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 2egy_1_B DATA FIRST_RESID 2 DATA SEQUENCE KPLSWSEAFG KGAGRIQAST IRELLKLTQR PGILSFAGGL PAPELFPKEE DATA SEQUENCE AAEAAARILR EKGEVALQYS PTEGYAPLRA FVAEWIGVRP EEVLITTGSQ DATA SEQUENCE QALDLVGKVF LDEGSPVLLE APSYMGAIQA FRLQGPRFLT VPAGEEGPDL DATA SEQUENCE DALEEVLKRE RPRFLYLIPS FQNPTGGLTP LPARKRLLQM VMERGLVVVE DATA SEQUENCE DDAYRELYFG EARLPSLFEL AREAGYPGVI YLGSFSKVLS PGLRVAFAVA DATA SEQUENCE HPEALQKLVQ AKQGADLHTP MLNQMLVHEL LKEGFSERLE RVRRVYREKA DATA SEQUENCE QAMLHALDRE VPKEVRYTRP KGGMFVWMEL PKGLSAEGLF RRALEENVAF DATA SEQUENCE VPGGPFFANG GGENTLRLSY ATLDREGIAE GVRRLGRALK GLLA 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.548 176.600 -0.087 0.000 0.988 2 K CA 0.000 56.249 56.287 -0.064 0.000 0.838 2 K CB 0.000 32.464 32.500 -0.060 0.000 1.064 3 P HA 0.102 nan 4.420 nan 0.000 0.272 3 P C -0.645 176.550 177.300 -0.175 0.000 1.239 3 P CA -0.493 62.540 63.100 -0.111 0.000 0.807 3 P CB 0.417 32.067 31.700 -0.084 0.000 0.951 4 L N 0.228 121.307 121.223 -0.241 0.000 2.272 4 L HA 0.306 4.625 4.340 -0.034 0.000 0.289 4 L C 0.347 176.966 176.870 -0.417 0.000 1.032 4 L CA 0.232 54.819 54.840 -0.420 0.000 0.810 4 L CB 1.381 43.049 42.059 -0.650 0.000 1.205 4 L HN 0.475 nan 8.230 nan 0.000 0.422 5 S N 3.411 118.881 115.700 -0.383 0.000 2.505 5 S HA 0.181 4.630 4.470 -0.034 0.000 0.280 5 S C 0.690 175.092 174.600 -0.329 0.000 1.197 5 S CA -0.583 57.464 58.200 -0.255 0.000 1.138 5 S CB 0.072 63.183 63.200 -0.148 0.000 1.010 5 S HN 0.633 nan 8.310 nan 0.000 0.480 6 W N 2.942 124.067 121.300 -0.291 0.000 2.317 6 W HA -0.179 4.462 4.660 -0.033 0.000 0.318 6 W C 2.552 178.551 176.519 -0.866 0.000 1.227 6 W CA 1.354 58.318 57.345 -0.636 0.000 1.269 6 W CB -0.588 28.573 29.460 -0.499 0.000 1.155 6 W HN 0.577 nan 8.180 nan 0.000 0.484 7 S N 0.132 115.756 115.700 -0.126 0.000 2.444 7 S HA -0.295 4.155 4.470 -0.034 0.000 0.244 7 S C 1.386 175.995 174.600 0.015 0.000 1.025 7 S CA 2.067 60.292 58.200 0.041 0.000 0.995 7 S CB -0.578 62.677 63.200 0.092 0.000 0.781 7 S HN 0.654 nan 8.310 nan 0.000 0.496 8 E N -0.052 120.087 120.200 -0.101 0.000 2.490 8 E HA 0.483 4.813 4.350 -0.034 0.000 0.209 8 E C 1.650 178.197 176.600 -0.090 0.000 0.971 8 E CA 0.480 56.848 56.400 -0.052 0.000 0.988 8 E CB -0.172 29.496 29.700 -0.055 0.000 1.029 8 E HN 0.306 nan 8.360 nan 0.000 0.496 9 A N 0.889 123.569 122.820 -0.234 0.000 1.968 9 A HA 0.123 4.423 4.320 -0.034 0.000 0.217 9 A C 0.408 177.990 177.584 -0.004 0.000 1.169 9 A CA 0.330 52.250 52.037 -0.195 0.000 0.638 9 A CB -0.565 18.230 19.000 -0.341 0.000 0.812 9 A HN 0.199 nan 8.150 nan 0.000 0.446 10 F N -0.383 119.648 119.950 0.134 0.000 2.480 10 F HA 0.462 4.969 4.527 -0.034 0.000 0.319 10 F C 1.479 177.319 175.800 0.066 0.000 1.230 10 F CA -0.383 57.683 58.000 0.111 0.000 1.285 10 F CB -0.285 38.777 39.000 0.103 0.000 1.208 10 F HN 0.140 nan 8.300 nan 0.000 0.579 11 G N 0.330 109.295 108.800 0.276 0.000 2.641 11 G HA2 0.285 4.224 3.960 -0.034 0.000 0.239 11 G HA3 0.285 4.224 3.960 -0.034 0.000 0.239 11 G C 0.573 175.545 174.900 0.119 0.000 1.402 11 G CA -0.526 44.663 45.100 0.148 0.000 1.046 11 G HN 0.505 nan 8.290 nan 0.000 0.565 12 K N -0.510 119.933 120.400 0.073 0.000 2.044 12 K HA 0.015 4.314 4.320 -0.034 0.000 0.204 12 K C 2.607 179.228 176.600 0.035 0.000 1.049 12 K CA 0.876 57.196 56.287 0.054 0.000 0.945 12 K CB -0.475 32.048 32.500 0.037 0.000 0.724 12 K HN 0.424 nan 8.250 nan 0.000 0.440 13 G N 1.659 110.473 108.800 0.023 0.000 2.517 13 G HA2 -0.319 3.620 3.960 -0.034 0.000 0.222 13 G HA3 -0.319 3.620 3.960 -0.034 0.000 0.222 13 G C 1.584 176.465 174.900 -0.033 0.000 1.109 13 G CA 1.177 46.278 45.100 0.001 0.000 0.746 13 G HN 0.356 nan 8.290 nan 0.000 0.576 14 A N 0.540 123.332 122.820 -0.047 0.000 1.978 14 A HA 0.165 4.465 4.320 -0.034 0.000 0.220 14 A C 2.584 180.101 177.584 -0.110 0.000 1.170 14 A CA 1.977 53.918 52.037 -0.160 0.000 0.636 14 A CB -0.647 18.211 19.000 -0.237 0.000 0.810 14 A HN 0.562 nan 8.150 nan 0.000 0.448 15 G N -1.364 107.422 108.800 -0.024 0.000 2.880 15 G HA2 0.043 3.983 3.960 -0.034 0.000 0.209 15 G HA3 0.043 3.983 3.960 -0.034 0.000 0.209 15 G C 1.339 176.236 174.900 -0.006 0.000 1.157 15 G CA 0.068 45.166 45.100 -0.003 0.000 0.779 15 G HN 0.527 nan 8.290 nan 0.000 0.539 16 R N 0.295 120.789 120.500 -0.009 0.000 2.391 16 R HA 0.312 4.631 4.340 -0.034 0.000 0.249 16 R C 0.697 176.990 176.300 -0.011 0.000 0.957 16 R CA 0.131 56.234 56.100 0.006 0.000 1.093 16 R CB -0.049 30.264 30.300 0.022 0.000 1.156 16 R HN 0.578 nan 8.270 nan 0.000 0.526 17 I N -4.089 116.456 120.570 -0.042 0.000 3.297 17 I HA 0.123 4.273 4.170 -0.034 0.000 0.321 17 I C 1.131 177.201 176.117 -0.078 0.000 1.503 17 I CA -0.425 60.837 61.300 -0.062 0.000 0.929 17 I CB 0.339 38.294 38.000 -0.075 0.000 1.531 17 I HN -0.062 nan 8.210 nan 0.000 0.599 18 Q N 3.365 123.127 119.800 -0.064 0.000 2.045 18 Q HA -0.157 4.162 4.340 -0.034 0.000 0.206 18 Q C 1.444 177.401 176.000 -0.071 0.000 0.991 18 Q CA 2.765 58.530 55.803 -0.064 0.000 0.851 18 Q CB -0.055 28.659 28.738 -0.041 0.000 0.911 18 Q HN 0.837 nan 8.270 nan 0.000 0.418 19 A N -0.576 122.200 122.820 -0.073 0.000 2.416 19 A HA -0.132 4.167 4.320 -0.034 0.000 0.293 19 A C 0.172 177.711 177.584 -0.075 0.000 1.452 19 A CA 0.963 52.948 52.037 -0.086 0.000 0.738 19 A CB -2.216 16.726 19.000 -0.096 0.000 1.123 19 A HN 0.725 nan 8.150 nan 0.000 0.389 20 S N -0.862 114.798 115.700 -0.065 0.000 2.259 20 S HA 0.881 5.331 4.470 -0.034 0.000 0.181 20 S C 0.909 175.474 174.600 -0.057 0.000 1.589 20 S CA 1.166 59.333 58.200 -0.055 0.000 1.234 20 S CB 0.261 63.437 63.200 -0.040 0.000 1.119 20 S HN 2.393 nan 8.310 nan 0.000 0.458 21 T N 0.042 114.552 114.554 -0.073 0.000 3.598 21 T HA 0.122 4.452 4.350 -0.034 0.000 0.281 21 T C 1.120 175.749 174.700 -0.119 0.000 0.905 21 T CA 0.703 62.751 62.100 -0.086 0.000 0.800 21 T CB -1.618 67.202 68.868 -0.080 0.000 1.145 21 T HN 1.109 nan 8.240 nan 0.000 0.837 22 I N -0.938 119.561 120.570 -0.119 0.000 3.861 22 I HA 0.691 4.840 4.170 -0.034 0.000 0.329 22 I C 1.707 177.760 176.117 -0.107 0.000 1.321 22 I CA 0.527 61.743 61.300 -0.140 0.000 1.126 22 I CB 0.094 37.994 38.000 -0.166 0.000 1.018 22 I HN 0.315 nan 8.210 nan 0.000 0.407 23 R N 1.153 121.602 120.500 -0.085 0.000 2.320 23 R HA 0.180 4.499 4.340 -0.034 0.000 0.193 23 R C 1.921 178.195 176.300 -0.043 0.000 0.885 23 R CA 0.719 56.785 56.100 -0.058 0.000 1.085 23 R CB -0.705 29.563 30.300 -0.054 0.000 1.253 23 R HN 0.447 nan 8.270 nan 0.000 0.636 24 E N 0.638 120.809 120.200 -0.050 0.000 2.208 24 E HA 0.015 4.345 4.350 -0.034 0.000 0.193 24 E C 1.476 178.057 176.600 -0.032 0.000 0.988 24 E CA 1.202 57.583 56.400 -0.032 0.000 0.828 24 E CB -0.005 29.675 29.700 -0.033 0.000 0.763 24 E HN 0.386 nan 8.360 nan 0.000 0.478 25 L N 0.060 121.229 121.223 -0.091 0.000 2.249 25 L HA 0.063 4.382 4.340 -0.034 0.000 0.207 25 L C 1.876 178.707 176.870 -0.065 0.000 1.090 25 L CA 0.787 55.526 54.840 -0.168 0.000 0.802 25 L CB -0.602 41.210 42.059 -0.411 0.000 0.947 25 L HN 0.336 nan 8.230 nan 0.000 0.453 26 L N -3.039 118.158 121.223 -0.043 0.000 2.599 26 L HA 0.273 4.593 4.340 -0.034 0.000 0.230 26 L C 2.048 178.946 176.870 0.047 0.000 1.141 26 L CA 1.274 56.127 54.840 0.021 0.000 0.877 26 L CB -1.897 40.165 42.059 0.006 0.000 1.009 26 L HN 0.055 nan 8.230 nan 0.000 0.447 27 K N 0.785 121.208 120.400 0.038 0.000 2.190 27 K HA 0.340 4.640 4.320 -0.034 0.000 0.202 27 K C 1.855 178.489 176.600 0.056 0.000 1.045 27 K CA 1.044 57.353 56.287 0.037 0.000 0.976 27 K CB -1.217 31.294 32.500 0.018 0.000 0.849 27 K HN 0.405 nan 8.250 nan 0.000 0.468 28 L N 1.721 122.995 121.223 0.085 0.000 2.137 28 L HA -0.141 4.179 4.340 -0.034 0.000 0.213 28 L C 2.575 179.487 176.870 0.070 0.000 1.085 28 L CA 1.592 56.489 54.840 0.095 0.000 0.760 28 L CB -1.334 40.831 42.059 0.177 0.000 0.893 28 L HN 0.698 nan 8.230 nan 0.000 0.434 29 T N -1.568 113.044 114.554 0.097 0.000 3.332 29 T HA 0.136 4.466 4.350 -0.034 0.000 0.367 29 T C 0.853 175.570 174.700 0.028 0.000 1.244 29 T CA 0.090 62.219 62.100 0.048 0.000 0.977 29 T CB -0.094 68.826 68.868 0.087 0.000 1.784 29 T HN 0.274 nan 8.240 nan 0.000 0.553 30 Q N -0.365 119.445 119.800 0.018 0.000 2.436 30 Q HA -0.239 4.081 4.340 -0.034 0.000 0.264 30 Q C 0.847 176.849 176.000 0.003 0.000 1.093 30 Q CA 1.099 56.909 55.803 0.011 0.000 0.994 30 Q CB -1.449 27.302 28.738 0.023 0.000 1.434 30 Q HN 0.806 nan 8.270 nan 0.000 0.520 31 R N -1.335 119.163 120.500 -0.004 0.000 1.664 31 R HA 0.630 4.949 4.340 -0.034 0.000 0.112 31 R C -0.436 175.858 176.300 -0.010 0.000 0.720 31 R CA -0.362 55.735 56.100 -0.006 0.000 1.864 31 R CB -1.352 28.943 30.300 -0.008 0.000 1.040 31 R HN -0.020 nan 8.270 nan 0.000 0.700 32 P HA 0.013 nan 4.420 nan 0.000 0.214 32 P C 0.610 177.900 177.300 -0.017 0.000 1.206 32 P CA 1.115 64.208 63.100 -0.012 0.000 0.715 32 P CB -0.910 30.784 31.700 -0.011 0.000 0.633 33 G N -0.374 108.415 108.800 -0.018 0.000 3.209 33 G HA2 0.473 4.412 3.960 -0.034 0.000 0.274 33 G HA3 0.473 4.412 3.960 -0.034 0.000 0.274 33 G C -0.182 174.701 174.900 -0.027 0.000 0.850 33 G CA 0.143 45.230 45.100 -0.021 0.000 1.907 33 G HN 0.630 nan 8.290 nan 0.000 0.591 34 I N 1.848 122.397 120.570 -0.035 0.000 2.411 34 I HA 0.437 4.587 4.170 -0.034 0.000 0.284 34 I C -0.616 175.460 176.117 -0.068 0.000 1.012 34 I CA -1.131 60.142 61.300 -0.045 0.000 1.119 34 I CB 1.294 39.268 38.000 -0.043 0.000 1.261 34 I HN -0.019 nan 8.210 nan 0.000 0.448 35 L N 6.865 128.035 121.223 -0.089 0.000 2.319 35 L HA 0.308 4.628 4.340 -0.034 0.000 0.280 35 L C 0.310 177.030 176.870 -0.249 0.000 1.099 35 L CA 0.137 54.867 54.840 -0.184 0.000 0.828 35 L CB 1.228 43.171 42.059 -0.192 0.000 1.150 35 L HN 0.566 nan 8.230 nan 0.000 0.442 36 S N 2.204 117.724 115.700 -0.301 0.000 2.482 36 S HA 0.562 5.011 4.470 -0.034 0.000 0.303 36 S C -0.001 174.413 174.600 -0.310 0.000 1.091 36 S CA -0.530 57.549 58.200 -0.201 0.000 1.057 36 S CB 0.752 63.930 63.200 -0.036 0.000 1.031 36 S HN 0.434 nan 8.310 nan 0.000 0.485 37 F N 2.262 122.319 119.950 0.179 0.000 2.661 37 F HA 0.458 4.965 4.527 -0.034 0.000 0.306 37 F C 1.182 177.135 175.800 0.256 0.000 1.094 37 F CA -0.280 57.844 58.000 0.206 0.000 1.254 37 F CB 0.261 39.395 39.000 0.223 0.000 1.040 37 F HN 0.634 nan 8.300 nan 0.000 0.562 38 A N 0.263 123.300 122.820 0.362 0.000 2.249 38 A HA 0.667 4.966 4.320 -0.034 0.000 0.281 38 A C 0.909 178.665 177.584 0.286 0.000 1.127 38 A CA 0.171 52.409 52.037 0.335 0.000 0.833 38 A CB -0.536 18.622 19.000 0.263 0.000 1.140 38 A HN 0.592 nan 8.150 nan 0.000 0.502 39 G N -1.932 107.040 108.800 0.287 0.000 2.880 39 G HA2 0.298 4.237 3.960 -0.034 0.000 0.686 39 G HA3 0.298 4.237 3.960 -0.034 0.000 0.686 39 G C 0.428 175.520 174.900 0.320 0.000 1.505 39 G CA 0.085 45.342 45.100 0.263 0.000 1.057 39 G HN 1.988 nan 8.290 nan 0.000 0.599 40 G N 0.260 109.261 108.800 0.334 0.000 4.637 40 G HA2 0.556 4.496 3.960 -0.034 0.000 0.308 40 G HA3 0.556 4.496 3.960 -0.034 0.000 0.308 40 G C 0.075 175.106 174.900 0.218 0.000 1.377 40 G CA -0.483 44.822 45.100 0.342 0.000 1.176 40 G HN 0.665 nan 8.290 nan 0.000 0.601 41 L N 1.717 123.043 121.223 0.172 0.000 2.313 41 L HA 0.363 4.683 4.340 -0.034 0.000 0.282 41 L C -1.868 175.094 176.870 0.154 0.000 1.092 41 L CA -1.576 53.362 54.840 0.163 0.000 0.831 41 L CB 1.251 43.396 42.059 0.142 0.000 1.159 41 L HN 0.068 nan 8.230 nan 0.000 0.442 42 P HA 0.057 nan 4.420 nan 0.000 0.269 42 P C -0.853 176.522 177.300 0.125 0.000 1.217 42 P CA -0.371 62.874 63.100 0.241 0.000 0.783 42 P CB 0.494 32.385 31.700 0.317 0.000 0.898 43 A N 4.510 127.395 122.820 0.108 0.000 2.537 43 A HA 0.108 4.408 4.320 -0.034 0.000 0.260 43 A C -1.000 176.300 177.584 -0.473 0.000 1.082 43 A CA -0.468 51.466 52.037 -0.171 0.000 0.765 43 A CB -0.866 17.926 19.000 -0.346 0.000 1.019 43 A HN 0.452 nan 8.150 nan 0.000 0.507 44 P HA -0.203 nan 4.420 nan 0.000 0.217 44 P C 1.083 177.866 177.300 -0.862 0.000 1.151 44 P CA 1.333 63.744 63.100 -1.148 0.000 0.828 44 P CB 0.109 31.521 31.700 -0.480 0.000 0.788 45 E N 0.323 120.265 120.200 -0.431 0.000 2.331 45 E HA -0.153 4.177 4.350 -0.034 0.000 0.199 45 E C 1.515 177.996 176.600 -0.198 0.000 1.008 45 E CA 0.971 57.221 56.400 -0.250 0.000 0.843 45 E CB -0.983 28.610 29.700 -0.178 0.000 0.761 45 E HN 0.239 nan 8.360 nan 0.000 0.507 46 L N 0.309 121.382 121.223 -0.250 0.000 2.509 46 L HA 0.120 4.439 4.340 -0.034 0.000 0.222 46 L C 0.386 177.322 176.870 0.111 0.000 1.123 46 L CA 0.220 55.019 54.840 -0.068 0.000 0.856 46 L CB -0.488 41.553 42.059 -0.030 0.000 0.985 46 L HN -0.074 nan 8.230 nan 0.000 0.456 47 F N 2.551 122.512 119.950 0.018 0.000 2.590 47 F HA 0.112 4.622 4.527 -0.028 0.000 0.389 47 F C -1.272 174.533 175.800 0.008 0.000 1.049 47 F CA -2.915 55.097 58.000 0.021 0.000 1.199 47 F CB -0.791 38.220 39.000 0.019 0.000 1.058 47 F HN 0.066 nan 8.300 nan 0.000 0.556 48 P HA 0.084 nan 4.420 nan 0.000 0.230 48 P C 0.464 177.799 177.300 0.059 0.000 1.791 48 P CA -0.105 63.049 63.100 0.090 0.000 1.020 48 P CB 0.294 32.027 31.700 0.055 0.000 1.977 49 K N 1.544 121.988 120.400 0.075 0.000 1.970 49 K HA -0.192 4.107 4.320 -0.034 0.000 0.225 49 K C 1.784 178.392 176.600 0.014 0.000 1.045 49 K CA 1.665 57.978 56.287 0.043 0.000 1.002 49 K CB -0.305 32.226 32.500 0.053 0.000 0.743 49 K HN 0.328 nan 8.250 nan 0.000 0.445 50 E N 0.730 120.938 120.200 0.013 0.000 2.181 50 E HA -0.299 4.030 4.350 -0.034 0.000 0.225 50 E C 1.859 178.453 176.600 -0.010 0.000 1.073 50 E CA 2.325 58.725 56.400 0.001 0.000 0.916 50 E CB -0.388 29.313 29.700 0.001 0.000 0.793 50 E HN 0.563 nan 8.360 nan 0.000 0.472 51 E N 0.264 120.457 120.200 -0.011 0.000 2.481 51 E HA 0.113 4.442 4.350 -0.034 0.000 0.195 51 E C 1.725 178.302 176.600 -0.037 0.000 1.047 51 E CA 0.621 57.006 56.400 -0.025 0.000 0.867 51 E CB 0.182 29.866 29.700 -0.027 0.000 0.858 51 E HN 0.245 nan 8.360 nan 0.000 0.513 52 A N 1.646 124.447 122.820 -0.031 0.000 1.943 52 A HA 0.302 4.602 4.320 -0.034 0.000 0.213 52 A C 2.435 179.993 177.584 -0.044 0.000 1.181 52 A CA 0.886 52.895 52.037 -0.046 0.000 0.653 52 A CB -0.400 18.575 19.000 -0.041 0.000 0.833 52 A HN 0.334 nan 8.150 nan 0.000 0.451 53 A N -0.137 122.664 122.820 -0.031 0.000 1.902 53 A HA -0.165 4.134 4.320 -0.034 0.000 0.217 53 A C 2.081 179.646 177.584 -0.032 0.000 1.181 53 A CA 1.801 53.821 52.037 -0.029 0.000 0.623 53 A CB -0.448 18.541 19.000 -0.019 0.000 0.818 53 A HN 0.503 nan 8.150 nan 0.000 0.443 54 E N 0.534 120.715 120.200 -0.031 0.000 2.047 54 E HA -0.144 4.185 4.350 -0.034 0.000 0.191 54 E C 2.185 178.760 176.600 -0.042 0.000 0.987 54 E CA 1.410 57.790 56.400 -0.033 0.000 0.799 54 E CB -0.381 29.301 29.700 -0.031 0.000 0.752 54 E HN 0.429 nan 8.360 nan 0.000 0.449 55 A N 1.201 123.990 122.820 -0.052 0.000 1.972 55 A HA -0.028 4.272 4.320 -0.034 0.000 0.219 55 A C 2.404 179.950 177.584 -0.064 0.000 1.169 55 A CA 1.977 53.975 52.037 -0.064 0.000 0.635 55 A CB -0.592 18.359 19.000 -0.082 0.000 0.810 55 A HN 0.380 nan 8.150 nan 0.000 0.446 56 A N -0.081 122.703 122.820 -0.059 0.000 1.873 56 A HA 0.207 4.506 4.320 -0.034 0.000 0.215 56 A C 2.515 180.068 177.584 -0.051 0.000 1.186 56 A CA 1.967 53.969 52.037 -0.059 0.000 0.616 56 A CB -1.023 17.945 19.000 -0.054 0.000 0.823 56 A HN 0.980 nan 8.150 nan 0.000 0.442 57 A N -0.114 122.681 122.820 -0.042 0.000 1.877 57 A HA -0.168 4.132 4.320 -0.034 0.000 0.216 57 A C 2.284 179.846 177.584 -0.035 0.000 1.186 57 A CA 1.760 53.776 52.037 -0.035 0.000 0.620 57 A CB -0.594 18.388 19.000 -0.029 0.000 0.822 57 A HN 0.555 nan 8.150 nan 0.000 0.443 58 R N -0.083 120.395 120.500 -0.037 0.000 2.103 58 R HA -0.150 4.170 4.340 -0.034 0.000 0.242 58 R C 1.928 178.206 176.300 -0.036 0.000 1.142 58 R CA 2.004 58.084 56.100 -0.034 0.000 0.960 58 R CB -0.446 29.832 30.300 -0.036 0.000 0.858 58 R HN 0.557 nan 8.270 nan 0.000 0.439 59 I N 0.793 121.335 120.570 -0.047 0.000 2.163 59 I HA -0.291 3.858 4.170 -0.034 0.000 0.240 59 I C 2.372 178.457 176.117 -0.052 0.000 1.081 59 I CA 1.146 62.413 61.300 -0.055 0.000 1.353 59 I CB -0.213 37.739 38.000 -0.079 0.000 1.054 59 I HN 0.238 nan 8.210 nan 0.000 0.407 60 L N 0.113 121.306 121.223 -0.051 0.000 2.093 60 L HA -0.197 4.122 4.340 -0.034 0.000 0.208 60 L C 2.755 179.604 176.870 -0.035 0.000 1.085 60 L CA 1.222 56.035 54.840 -0.045 0.000 0.755 60 L CB -0.478 41.556 42.059 -0.043 0.000 0.904 60 L HN 0.212 nan 8.230 nan 0.000 0.435 61 R N 0.199 120.681 120.500 -0.031 0.000 2.073 61 R HA -0.119 4.200 4.340 -0.034 0.000 0.229 61 R C 1.980 178.268 176.300 -0.020 0.000 1.120 61 R CA 1.288 57.374 56.100 -0.024 0.000 0.967 61 R CB 0.096 30.382 30.300 -0.022 0.000 0.862 61 R HN 0.372 nan 8.270 nan 0.000 0.436 62 E N -0.523 119.664 120.200 -0.021 0.000 2.385 62 E HA -0.031 4.298 4.350 -0.034 0.000 0.194 62 E C 0.240 176.833 176.600 -0.012 0.000 1.013 62 E CA 0.659 57.050 56.400 -0.014 0.000 0.866 62 E CB 0.527 30.220 29.700 -0.012 0.000 0.832 62 E HN 0.177 nan 8.360 nan 0.000 0.500 63 K N -0.458 119.930 120.400 -0.020 0.000 2.932 63 K HA 0.155 4.455 4.320 -0.034 0.000 0.194 63 K C 0.921 177.502 176.600 -0.031 0.000 1.132 63 K CA -0.094 56.182 56.287 -0.019 0.000 1.071 63 K CB 1.320 33.810 32.500 -0.016 0.000 0.727 63 K HN 0.026 nan 8.250 nan 0.000 0.441 64 G N 2.096 110.878 108.800 -0.030 0.000 2.479 64 G HA2 -0.257 3.683 3.960 -0.034 0.000 0.220 64 G HA3 -0.257 3.683 3.960 -0.034 0.000 0.220 64 G C 1.218 176.099 174.900 -0.033 0.000 1.115 64 G CA 0.806 45.885 45.100 -0.035 0.000 0.757 64 G HN 0.377 nan 8.290 nan 0.000 0.560 65 E N 0.750 120.935 120.200 -0.024 0.000 2.416 65 E HA 0.127 4.457 4.350 -0.034 0.000 0.189 65 E C 1.209 177.798 176.600 -0.018 0.000 1.091 65 E CA 0.095 56.483 56.400 -0.019 0.000 0.889 65 E CB 0.085 29.778 29.700 -0.011 0.000 1.015 65 E HN 0.318 nan 8.360 nan 0.000 0.479 66 V N -0.173 119.725 119.914 -0.027 0.000 3.165 66 V HA 0.193 4.293 4.120 -0.034 0.000 0.231 66 V C 2.073 178.134 176.094 -0.056 0.000 1.365 66 V CA 0.726 63.010 62.300 -0.027 0.000 1.286 66 V CB 0.201 32.016 31.823 -0.013 0.000 1.081 66 V HN 0.325 nan 8.190 nan 0.000 0.477 67 A N -0.131 122.645 122.820 -0.073 0.000 2.014 67 A HA -0.016 4.284 4.320 -0.034 0.000 0.218 67 A C 1.790 179.341 177.584 -0.055 0.000 1.163 67 A CA 1.531 53.513 52.037 -0.091 0.000 0.652 67 A CB -0.233 18.706 19.000 -0.101 0.000 0.808 67 A HN 0.391 nan 8.150 nan 0.000 0.449 68 L N -1.030 120.164 121.223 -0.048 0.000 2.607 68 L HA 0.253 4.573 4.340 -0.034 0.000 0.228 68 L C 0.760 177.593 176.870 -0.063 0.000 1.123 68 L CA 0.498 55.309 54.840 -0.049 0.000 0.890 68 L CB -0.400 41.629 42.059 -0.051 0.000 1.103 68 L HN 0.512 nan 8.230 nan 0.000 0.468 69 Q N -1.333 118.440 119.800 -0.045 0.000 2.215 69 Q HA 0.267 4.586 4.340 -0.034 0.000 0.256 69 Q C -0.951 175.063 176.000 0.023 0.000 0.972 69 Q CA -0.512 55.266 55.803 -0.043 0.000 0.889 69 Q CB 0.839 29.573 28.738 -0.008 0.000 1.281 69 Q HN 0.058 nan 8.270 nan 0.000 0.456 70 Y N 0.986 121.328 120.300 0.069 0.000 2.805 70 Y HA 0.167 4.710 4.550 -0.012 0.000 0.337 70 Y C 0.562 176.398 175.900 -0.107 0.000 1.252 70 Y CA 0.861 59.039 58.100 0.130 0.000 1.515 70 Y CB 0.472 39.012 38.460 0.133 0.000 1.305 70 Y HN 0.681 nan 8.280 nan 0.000 0.600 71 S N 3.713 119.229 115.700 -0.307 0.000 2.667 71 S HA 0.701 5.150 4.470 -0.034 0.000 0.292 71 S C -3.011 171.428 174.600 -0.268 0.000 1.126 71 S CA -1.856 56.136 58.200 -0.347 0.000 0.881 71 S CB 2.124 65.052 63.200 -0.453 0.000 1.132 71 S HN 0.384 nan 8.310 nan 0.000 0.492 72 P HA 0.122 nan 4.420 nan 0.000 0.267 72 P C 0.429 177.740 177.300 0.019 0.000 1.201 72 P CA -0.016 63.070 63.100 -0.024 0.000 0.775 72 P CB 0.181 31.878 31.700 -0.005 0.000 0.854 73 T N 1.330 115.921 114.554 0.062 0.000 2.812 73 T HA -0.111 4.218 4.350 -0.034 0.000 0.264 73 T C 1.463 176.218 174.700 0.093 0.000 1.042 73 T CA 1.504 63.666 62.100 0.105 0.000 1.140 73 T CB -0.394 68.517 68.868 0.072 0.000 0.870 73 T HN 0.461 nan 8.240 nan 0.000 0.445 74 E N 0.794 121.031 120.200 0.062 0.000 2.171 74 E HA 0.194 4.524 4.350 -0.034 0.000 0.197 74 E C 1.187 177.835 176.600 0.080 0.000 0.997 74 E CA 1.016 57.452 56.400 0.060 0.000 0.810 74 E CB -0.353 29.368 29.700 0.035 0.000 0.738 74 E HN 0.632 nan 8.360 nan 0.000 0.467 75 G N -1.222 107.628 108.800 0.083 0.000 2.355 75 G HA2 -0.115 3.825 3.960 -0.034 0.000 0.619 75 G HA3 -0.115 3.825 3.960 -0.034 0.000 0.619 75 G C -1.550 173.416 174.900 0.111 0.000 1.337 75 G CA -0.646 44.522 45.100 0.113 0.000 0.993 75 G HN 0.095 nan 8.290 nan 0.000 0.599 76 Y N 2.051 122.346 120.300 -0.009 0.000 2.650 76 Y HA 0.425 4.963 4.550 -0.020 0.000 0.331 76 Y C 1.634 177.496 175.900 -0.065 0.000 1.165 76 Y CA 0.961 59.034 58.100 -0.045 0.000 1.473 76 Y CB 0.673 39.102 38.460 -0.050 0.000 1.224 76 Y HN 1.359 nan 8.280 nan 0.000 0.533 77 A N 7.656 130.274 122.820 -0.337 0.000 1.873 77 A HA -0.253 4.046 4.320 -0.034 0.000 0.219 77 A C -0.349 176.912 177.584 -0.538 0.000 1.269 77 A CA 2.377 54.187 52.037 -0.379 0.000 0.671 77 A CB -2.050 16.779 19.000 -0.284 0.000 0.842 77 A HN 0.741 nan 8.150 nan 0.000 0.460 78 P HA -0.129 nan 4.420 nan 0.000 0.216 78 P C 1.751 178.608 177.300 -0.739 0.000 1.150 78 P CA 0.835 63.464 63.100 -0.786 0.000 0.837 78 P CB -0.129 31.022 31.700 -0.915 0.000 0.786 79 L N -0.634 120.158 121.223 -0.720 0.000 2.012 79 L HA -0.213 4.107 4.340 -0.034 0.000 0.210 79 L C 2.470 179.312 176.870 -0.045 0.000 1.073 79 L CA 1.841 56.540 54.840 -0.236 0.000 0.748 79 L CB -0.335 41.773 42.059 0.081 0.000 0.891 79 L HN -0.023 nan 8.230 nan 0.000 0.431 80 R N -0.405 120.037 120.500 -0.096 0.000 2.081 80 R HA -0.168 4.151 4.340 -0.034 0.000 0.235 80 R C 2.237 178.502 176.300 -0.058 0.000 1.131 80 R CA 1.370 57.437 56.100 -0.054 0.000 0.960 80 R CB -0.576 29.688 30.300 -0.059 0.000 0.856 80 R HN 0.428 nan 8.270 nan 0.000 0.436 81 A N 1.197 123.966 122.820 -0.086 0.000 1.883 81 A HA -0.209 4.091 4.320 -0.034 0.000 0.217 81 A C 2.008 179.602 177.584 0.017 0.000 1.186 81 A CA 1.288 53.297 52.037 -0.045 0.000 0.624 81 A CB -0.692 18.273 19.000 -0.059 0.000 0.822 81 A HN 0.355 nan 8.150 nan 0.000 0.444 82 F N 0.770 120.676 119.950 -0.073 0.000 2.102 82 F HA -0.158 4.351 4.527 -0.031 0.000 0.298 82 F C 2.217 178.057 175.800 0.067 0.000 1.105 82 F CA 2.021 60.026 58.000 0.009 0.000 1.239 82 F CB -0.286 38.729 39.000 0.025 0.000 0.991 82 F HN 0.027 nan 8.300 nan 0.000 0.474 83 V N 0.526 120.468 119.914 0.047 0.000 2.407 83 V HA -0.281 3.819 4.120 -0.034 0.000 0.248 83 V C 2.723 178.714 176.094 -0.172 0.000 1.055 83 V CA 1.641 63.883 62.300 -0.097 0.000 1.049 83 V CB -1.623 29.974 31.823 -0.377 0.000 0.662 83 V HN 0.491 nan 8.190 nan 0.000 0.455 84 A N 0.165 122.906 122.820 -0.133 0.000 1.858 84 A HA -0.284 4.016 4.320 -0.034 0.000 0.216 84 A C 2.324 179.863 177.584 -0.075 0.000 1.190 84 A CA 1.954 53.933 52.037 -0.098 0.000 0.617 84 A CB -0.613 18.349 19.000 -0.064 0.000 0.827 84 A HN 0.638 nan 8.150 nan 0.000 0.443 85 E N -1.891 118.260 120.200 -0.082 0.000 2.209 85 E HA -0.247 4.083 4.350 -0.034 0.000 0.196 85 E C 1.725 178.308 176.600 -0.029 0.000 0.993 85 E CA 1.470 57.832 56.400 -0.062 0.000 0.819 85 E CB -0.239 29.418 29.700 -0.072 0.000 0.745 85 E HN 0.773 nan 8.360 nan 0.000 0.477 86 W N 0.868 121.960 121.300 -0.347 0.000 2.519 86 W HA 0.003 4.642 4.660 -0.034 0.000 0.313 86 W C 1.837 178.292 176.519 -0.106 0.000 1.156 86 W CA 0.663 57.847 57.345 -0.269 0.000 1.394 86 W CB -0.840 28.380 29.460 -0.399 0.000 1.154 86 W HN 0.047 nan 8.180 nan 0.000 0.498 87 I N 1.118 121.564 120.570 -0.207 0.000 2.127 87 I HA -0.015 4.135 4.170 -0.034 0.000 0.241 87 I C 1.926 177.945 176.117 -0.164 0.000 1.075 87 I CA 2.549 63.649 61.300 -0.333 0.000 1.334 87 I CB -1.158 36.671 38.000 -0.285 0.000 1.040 87 I HN 0.334 nan 8.210 nan 0.000 0.405 88 G N -0.100 108.653 108.800 -0.079 0.000 2.321 88 G HA2 0.180 4.119 3.960 -0.034 0.000 0.177 88 G HA3 0.180 4.119 3.960 -0.034 0.000 0.177 88 G C -0.142 174.759 174.900 0.001 0.000 1.072 88 G CA -0.182 44.900 45.100 -0.031 0.000 0.768 88 G HN 0.577 nan 8.290 nan 0.000 0.481 89 V N -3.872 116.041 119.914 -0.001 0.000 3.103 89 V HA 0.817 4.916 4.120 -0.034 0.000 0.311 89 V C 0.199 176.290 176.094 -0.006 0.000 1.322 89 V CA -1.903 60.410 62.300 0.021 0.000 1.063 89 V CB 1.260 33.131 31.823 0.081 0.000 1.090 89 V HN 0.365 nan 8.190 nan 0.000 0.462 90 R N 1.330 121.828 120.500 -0.003 0.000 2.531 90 R HA 0.412 4.731 4.340 -0.034 0.000 0.273 90 R C -1.644 174.642 176.300 -0.023 0.000 1.070 90 R CA -1.232 54.858 56.100 -0.016 0.000 1.112 90 R CB 1.048 31.337 30.300 -0.018 0.000 1.049 90 R HN 0.646 nan 8.270 nan 0.000 0.508 91 P HA -0.251 nan 4.420 nan 0.000 0.216 91 P C 0.431 177.715 177.300 -0.026 0.000 1.150 91 P CA 1.603 64.681 63.100 -0.037 0.000 0.843 91 P CB 0.044 31.718 31.700 -0.043 0.000 0.787 92 E N 0.366 120.552 120.200 -0.023 0.000 2.515 92 E HA -0.130 4.199 4.350 -0.034 0.000 0.201 92 E C 1.031 177.625 176.600 -0.010 0.000 1.071 92 E CA 0.611 57.000 56.400 -0.018 0.000 0.880 92 E CB -0.532 29.153 29.700 -0.025 0.000 0.828 92 E HN 0.419 nan 8.360 nan 0.000 0.540 93 E N 0.700 120.898 120.200 -0.003 0.000 2.501 93 E HA 0.150 4.480 4.350 -0.034 0.000 0.201 93 E C -0.677 175.940 176.600 0.028 0.000 1.016 93 E CA -0.148 56.263 56.400 0.018 0.000 0.920 93 E CB 1.371 31.093 29.700 0.037 0.000 1.023 93 E HN 0.010 nan 8.360 nan 0.000 0.474 94 V N 2.114 122.038 119.914 0.016 0.000 2.448 94 V HA 0.303 4.403 4.120 -0.034 0.000 0.295 94 V C -0.765 175.369 176.094 0.067 0.000 1.025 94 V CA -0.932 61.386 62.300 0.030 0.000 0.859 94 V CB 1.867 33.665 31.823 -0.041 0.000 0.988 94 V HN 0.079 nan 8.190 nan 0.000 0.431 95 L N 6.645 127.942 121.223 0.123 0.000 2.342 95 L HA 0.615 4.935 4.340 -0.034 0.000 0.276 95 L C -0.498 176.483 176.870 0.186 0.000 0.997 95 L CA -0.042 54.873 54.840 0.125 0.000 0.838 95 L CB 1.048 43.168 42.059 0.103 0.000 1.224 95 L HN 0.414 nan 8.230 nan 0.000 0.416 96 I N 4.106 124.785 120.570 0.181 0.000 2.588 96 I HA 0.308 4.458 4.170 -0.034 0.000 0.283 96 I C 0.757 176.981 176.117 0.177 0.000 1.119 96 I CA 0.267 61.705 61.300 0.230 0.000 1.419 96 I CB 0.842 38.974 38.000 0.220 0.000 1.394 96 I HN 0.815 nan 8.210 nan 0.000 0.562 97 T N 0.687 115.341 114.554 0.167 0.000 2.901 97 T HA 0.358 4.688 4.350 -0.034 0.000 0.293 97 T C 0.158 174.920 174.700 0.102 0.000 1.084 97 T CA -0.685 61.480 62.100 0.109 0.000 1.008 97 T CB 1.501 70.408 68.868 0.064 0.000 1.170 97 T HN 0.449 nan 8.240 nan 0.000 0.509 98 T N 2.069 116.668 114.554 0.074 0.000 4.309 98 T HA 0.561 4.891 4.350 -0.034 0.000 0.242 98 T C 0.737 175.465 174.700 0.047 0.000 1.142 98 T CA 0.526 62.664 62.100 0.064 0.000 1.042 98 T CB -1.247 67.647 68.868 0.044 0.000 1.366 98 T HN 1.368 nan 8.240 nan 0.000 0.942 99 G N 0.714 109.543 108.800 0.048 0.000 2.662 99 G HA2 -0.173 3.767 3.960 -0.034 0.000 0.686 99 G HA3 -0.173 3.767 3.960 -0.034 0.000 0.686 99 G C 0.708 175.599 174.900 -0.016 0.000 1.271 99 G CA -0.456 44.656 45.100 0.019 0.000 0.816 99 G HN 0.213 nan 8.290 nan 0.000 0.608 100 S N -0.309 115.359 115.700 -0.052 0.000 2.447 100 S HA -0.114 4.335 4.470 -0.034 0.000 0.233 100 S C 2.199 176.803 174.600 0.007 0.000 1.006 100 S CA 1.912 60.071 58.200 -0.069 0.000 0.957 100 S CB -0.060 63.068 63.200 -0.120 0.000 0.773 100 S HN 0.811 nan 8.310 nan 0.000 0.507 101 Q N 2.024 121.845 119.800 0.034 0.000 2.084 101 Q HA -0.131 4.189 4.340 -0.034 0.000 0.202 101 Q C 2.061 178.062 176.000 0.002 0.000 0.978 101 Q CA 1.779 57.598 55.803 0.027 0.000 0.844 101 Q CB -0.450 28.301 28.738 0.022 0.000 0.898 101 Q HN 0.637 nan 8.270 nan 0.000 0.426 102 Q N -1.053 118.753 119.800 0.011 0.000 2.046 102 Q HA -0.121 4.198 4.340 -0.034 0.000 0.200 102 Q C 1.927 177.944 176.000 0.028 0.000 0.975 102 Q CA 1.424 57.236 55.803 0.017 0.000 0.836 102 Q CB -0.334 28.418 28.738 0.023 0.000 0.896 102 Q HN 0.478 nan 8.270 nan 0.000 0.428 103 A N 1.057 123.890 122.820 0.022 0.000 1.948 103 A HA -0.210 4.089 4.320 -0.034 0.000 0.220 103 A C 2.075 179.697 177.584 0.063 0.000 1.177 103 A CA 1.422 53.477 52.037 0.030 0.000 0.636 103 A CB -0.822 18.173 19.000 -0.008 0.000 0.815 103 A HN 0.468 nan 8.150 nan 0.000 0.449 104 L N -0.918 120.340 121.223 0.058 0.000 2.017 104 L HA -0.219 4.101 4.340 -0.034 0.000 0.208 104 L C 2.478 179.452 176.870 0.174 0.000 1.073 104 L CA 1.860 56.761 54.840 0.102 0.000 0.745 104 L CB -0.645 41.368 42.059 -0.076 0.000 0.894 104 L HN 0.448 nan 8.230 nan 0.000 0.432 105 D N 0.150 120.599 120.400 0.081 0.000 2.104 105 D HA -0.193 4.426 4.640 -0.034 0.000 0.194 105 D C 2.306 178.674 176.300 0.114 0.000 0.994 105 D CA 1.337 55.393 54.000 0.093 0.000 0.830 105 D CB -0.031 40.791 40.800 0.036 0.000 0.959 105 D HN 0.161 nan 8.370 nan 0.000 0.452 106 L N -0.330 120.943 121.223 0.084 0.000 1.989 106 L HA -0.188 4.132 4.340 -0.034 0.000 0.211 106 L C 2.685 179.609 176.870 0.089 0.000 1.071 106 L CA 0.844 55.723 54.840 0.065 0.000 0.749 106 L CB -0.811 41.278 42.059 0.049 0.000 0.890 106 L HN 0.036 nan 8.230 nan 0.000 0.431 107 V N 0.604 120.596 119.914 0.131 0.000 2.278 107 V HA -0.312 3.788 4.120 -0.034 0.000 0.251 107 V C 2.600 178.822 176.094 0.213 0.000 1.062 107 V CA 2.283 64.684 62.300 0.169 0.000 1.038 107 V CB -1.212 30.640 31.823 0.049 0.000 0.646 107 V HN 0.632 nan 8.190 nan 0.000 0.447 108 G N -0.880 108.076 108.800 0.260 0.000 2.402 108 G HA2 -0.225 3.714 3.960 -0.034 0.000 0.216 108 G HA3 -0.225 3.714 3.960 -0.034 0.000 0.216 108 G C 1.627 176.622 174.900 0.159 0.000 1.162 108 G CA 0.801 46.060 45.100 0.265 0.000 0.777 108 G HN 0.496 nan 8.290 nan 0.000 0.539 109 K N 0.064 120.528 120.400 0.105 0.000 2.057 109 K HA -0.058 4.242 4.320 -0.034 0.000 0.207 109 K C 2.558 179.145 176.600 -0.021 0.000 1.049 109 K CA 1.580 57.890 56.287 0.039 0.000 0.931 109 K CB -0.279 32.233 32.500 0.021 0.000 0.714 109 K HN 0.387 nan 8.250 nan 0.000 0.440 110 V N -2.042 117.820 119.914 -0.088 0.000 3.608 110 V HA 0.055 4.154 4.120 -0.034 0.000 0.269 110 V C 1.168 177.000 176.094 -0.437 0.000 1.245 110 V CA 0.880 63.013 62.300 -0.278 0.000 1.138 110 V CB -0.343 31.230 31.823 -0.417 0.000 0.841 110 V HN 0.062 nan 8.190 nan 0.000 0.451 111 F N 0.226 120.178 119.950 0.004 0.000 2.637 111 F HA 0.515 5.022 4.527 -0.035 0.000 0.284 111 F C 0.999 176.833 175.800 0.057 0.000 1.105 111 F CA -0.383 57.641 58.000 0.041 0.000 1.356 111 F CB 0.412 39.447 39.000 0.058 0.000 1.096 111 F HN -0.018 nan 8.300 nan 0.000 0.616 112 L N 0.708 122.051 121.223 0.200 0.000 2.360 112 L HA 0.424 4.743 4.340 -0.034 0.000 0.271 112 L C -0.751 176.136 176.870 0.029 0.000 1.057 112 L CA -0.566 54.323 54.840 0.081 0.000 0.803 112 L CB 1.133 43.208 42.059 0.026 0.000 1.207 112 L HN -0.087 nan 8.230 nan 0.000 0.445 113 D N 0.218 120.615 120.400 -0.005 0.000 2.581 113 D HA 0.141 4.760 4.640 -0.034 0.000 0.232 113 D C -0.888 175.391 176.300 -0.034 0.000 1.143 113 D CA -0.544 53.448 54.000 -0.013 0.000 0.881 113 D CB 2.390 43.185 40.800 -0.008 0.000 1.500 113 D HN 0.463 nan 8.370 nan 0.000 0.458 114 E N -0.077 120.107 120.200 -0.027 0.000 2.493 114 E HA 0.224 4.554 4.350 -0.034 0.000 0.255 114 E C 0.861 177.435 176.600 -0.043 0.000 0.999 114 E CA 0.851 57.230 56.400 -0.034 0.000 0.934 114 E CB 0.042 29.731 29.700 -0.018 0.000 0.940 114 E HN 0.712 nan 8.360 nan 0.000 0.473 115 G N 3.156 111.916 108.800 -0.066 0.000 2.213 115 G HA2 -0.280 3.659 3.960 -0.034 0.000 0.236 115 G HA3 -0.280 3.659 3.960 -0.034 0.000 0.236 115 G C 0.365 175.216 174.900 -0.082 0.000 0.991 115 G CA 0.136 45.198 45.100 -0.064 0.000 0.629 115 G HN 0.590 nan 8.290 nan 0.000 0.517 116 S N 2.209 117.853 115.700 -0.092 0.000 2.566 116 S HA 0.421 4.871 4.470 -0.034 0.000 0.280 116 S C -2.207 172.300 174.600 -0.154 0.000 1.343 116 S CA 0.016 58.157 58.200 -0.098 0.000 1.036 116 S CB 1.091 64.241 63.200 -0.082 0.000 0.866 116 S HN 0.279 nan 8.310 nan 0.000 0.526 117 P HA 0.408 nan 4.420 nan 0.000 0.293 117 P C -1.427 175.725 177.300 -0.246 0.000 1.300 117 P CA -0.365 62.641 63.100 -0.157 0.000 0.792 117 P CB 0.863 32.504 31.700 -0.098 0.000 0.925 118 V N 4.928 124.659 119.914 -0.305 0.000 2.525 118 V HA 0.353 4.453 4.120 -0.034 0.000 0.299 118 V C -0.342 175.614 176.094 -0.229 0.000 1.034 118 V CA -0.700 61.326 62.300 -0.456 0.000 0.863 118 V CB 1.890 33.361 31.823 -0.587 0.000 0.999 118 V HN 0.355 nan 8.190 nan 0.000 0.423 119 L N 7.137 128.202 121.223 -0.264 0.000 2.295 119 L HA 0.866 5.186 4.340 -0.034 0.000 0.285 119 L C -0.514 176.358 176.870 0.004 0.000 1.035 119 L CA 0.226 55.020 54.840 -0.078 0.000 0.806 119 L CB 1.186 43.206 42.059 -0.065 0.000 1.214 119 L HN 0.738 nan 8.230 nan 0.000 0.426 120 L N 0.886 122.165 121.223 0.094 0.000 2.828 120 L HA 0.685 5.005 4.340 -0.034 0.000 0.264 120 L C -1.072 175.839 176.870 0.069 0.000 1.106 120 L CA -1.027 53.909 54.840 0.159 0.000 0.955 120 L CB 1.801 44.047 42.059 0.312 0.000 1.558 120 L HN 0.524 nan 8.230 nan 0.000 0.386 121 E N 0.182 120.402 120.200 0.034 0.000 2.267 121 E HA 0.743 5.072 4.350 -0.034 0.000 0.258 121 E C -0.861 175.666 176.600 -0.122 0.000 1.074 121 E CA -0.760 55.606 56.400 -0.055 0.000 0.915 121 E CB 1.764 31.399 29.700 -0.109 0.000 1.186 121 E HN 0.725 nan 8.360 nan 0.000 0.439 122 A N 2.280 124.990 122.820 -0.183 0.000 2.411 122 A HA 0.438 4.738 4.320 -0.034 0.000 0.285 122 A C -2.547 174.737 177.584 -0.500 0.000 1.129 122 A CA -1.349 50.487 52.037 -0.334 0.000 0.736 122 A CB 0.802 19.795 19.000 -0.012 0.000 1.186 122 A HN 0.313 nan 8.150 nan 0.000 0.445 123 P HA 0.588 nan 4.420 nan 0.000 0.282 123 P C 0.037 177.022 177.300 -0.525 0.000 1.287 123 P CA -0.207 62.241 63.100 -1.087 0.000 0.792 123 P CB 1.849 32.785 31.700 -1.274 0.000 1.163 124 S N -1.880 113.649 115.700 -0.285 0.000 2.819 124 S HA 0.365 4.814 4.470 -0.034 0.000 0.299 124 S C -1.532 173.155 174.600 0.146 0.000 1.192 124 S CA -0.518 57.647 58.200 -0.058 0.000 0.847 124 S CB 0.062 63.288 63.200 0.043 0.000 1.224 124 S HN 0.362 nan 8.310 nan 0.000 0.537 125 Y N 2.478 122.832 120.300 0.090 0.000 2.496 125 Y HA 0.272 4.801 4.550 -0.035 0.000 0.334 125 Y C 1.410 177.290 175.900 -0.034 0.000 1.080 125 Y CA 0.310 58.470 58.100 0.101 0.000 1.355 125 Y CB 0.174 38.738 38.460 0.173 0.000 1.193 125 Y HN 0.682 nan 8.280 nan 0.000 0.523 126 M N 4.325 123.731 119.600 -0.324 0.000 2.435 126 M HA -0.153 4.307 4.480 -0.034 0.000 0.262 126 M C 1.996 177.859 176.300 -0.728 0.000 1.065 126 M CA 1.564 56.556 55.300 -0.513 0.000 1.076 126 M CB -0.359 31.946 32.600 -0.492 0.000 1.403 126 M HN 0.978 nan 8.290 nan 0.000 0.454 127 G N -0.009 107.947 108.800 -1.408 0.000 2.414 127 G HA2 -0.106 3.834 3.960 -0.034 0.000 0.215 127 G HA3 -0.106 3.834 3.960 -0.034 0.000 0.215 127 G C 1.612 176.035 174.900 -0.794 0.000 1.188 127 G CA 0.834 45.223 45.100 -1.184 0.000 0.783 127 G HN 0.522 nan 8.290 nan 0.000 0.537 128 A N 0.986 123.321 122.820 -0.808 0.000 1.877 128 A HA 0.016 4.315 4.320 -0.034 0.000 0.216 128 A C 2.371 179.232 177.584 -1.205 0.000 1.186 128 A CA 1.441 52.704 52.037 -1.290 0.000 0.620 128 A CB -0.333 17.747 19.000 -1.534 0.000 0.822 128 A HN 0.278 nan 8.150 nan 0.000 0.443 129 I N -0.169 120.020 120.570 -0.635 0.000 2.127 129 I HA -0.288 3.862 4.170 -0.034 0.000 0.241 129 I C 2.683 178.660 176.117 -0.233 0.000 1.075 129 I CA 1.829 62.898 61.300 -0.385 0.000 1.334 129 I CB -1.598 36.166 38.000 -0.392 0.000 1.040 129 I HN 0.510 nan 8.210 nan 0.000 0.405 130 Q N 0.391 120.006 119.800 -0.308 0.000 2.030 130 Q HA -0.219 4.101 4.340 -0.034 0.000 0.204 130 Q C 2.369 178.290 176.000 -0.132 0.000 0.986 130 Q CA 2.382 58.065 55.803 -0.201 0.000 0.843 130 Q CB -0.063 28.530 28.738 -0.242 0.000 0.904 130 Q HN 0.542 nan 8.270 nan 0.000 0.420 131 A N 0.506 123.188 122.820 -0.230 0.000 1.865 131 A HA -0.203 4.096 4.320 -0.034 0.000 0.217 131 A C 1.771 179.432 177.584 0.129 0.000 1.191 131 A CA 1.626 53.599 52.037 -0.107 0.000 0.623 131 A CB -0.914 17.966 19.000 -0.199 0.000 0.826 131 A HN 0.383 nan 8.150 nan 0.000 0.444 132 F N -0.320 119.679 119.950 0.083 0.000 2.102 132 F HA -0.087 4.420 4.527 -0.034 0.000 0.298 132 F C 2.339 178.218 175.800 0.132 0.000 1.105 132 F CA 1.076 59.167 58.000 0.152 0.000 1.239 132 F CB -1.276 37.897 39.000 0.287 0.000 0.991 132 F HN 0.240 nan 8.300 nan 0.000 0.474 133 R N 0.731 121.494 120.500 0.439 0.000 2.154 133 R HA -0.199 4.120 4.340 -0.034 0.000 0.248 133 R C 2.265 178.646 176.300 0.134 0.000 1.155 133 R CA 1.082 57.366 56.100 0.306 0.000 0.979 133 R CB -0.576 29.877 30.300 0.254 0.000 0.869 133 R HN 0.270 nan 8.270 nan 0.000 0.452 134 L N 0.757 122.045 121.223 0.107 0.000 2.349 134 L HA -0.167 4.152 4.340 -0.034 0.000 0.220 134 L C 0.854 177.755 176.870 0.050 0.000 1.130 134 L CA 1.814 56.688 54.840 0.057 0.000 0.791 134 L CB -0.355 41.730 42.059 0.044 0.000 0.918 134 L HN 0.313 nan 8.230 nan 0.000 0.444 135 Q N -0.287 119.550 119.800 0.062 0.000 2.204 135 Q HA 0.263 4.582 4.340 -0.034 0.000 0.209 135 Q C 0.912 176.900 176.000 -0.020 0.000 0.861 135 Q CA 0.500 56.319 55.803 0.027 0.000 0.971 135 Q CB -0.075 28.688 28.738 0.042 0.000 1.095 135 Q HN 0.493 nan 8.270 nan 0.000 0.486 136 G N 2.160 110.950 108.800 -0.018 0.000 2.421 136 G HA2 -0.249 3.691 3.960 -0.034 0.000 0.300 136 G HA3 -0.249 3.691 3.960 -0.034 0.000 0.300 136 G C -2.256 172.568 174.900 -0.127 0.000 0.974 136 G CA 0.348 45.420 45.100 -0.047 0.000 1.062 136 G HN 0.327 nan 8.290 nan 0.000 0.514 137 P HA 0.347 nan 4.420 nan 0.000 0.293 137 P C -0.204 176.854 177.300 -0.404 0.000 1.304 137 P CA -0.738 62.148 63.100 -0.356 0.000 0.767 137 P CB 1.162 32.549 31.700 -0.521 0.000 1.247 138 R N 0.029 120.327 120.500 -0.338 0.000 2.246 138 R HA 0.391 4.711 4.340 -0.034 0.000 0.332 138 R C -0.606 175.556 176.300 -0.230 0.000 0.974 138 R CA -0.605 55.373 56.100 -0.204 0.000 0.837 138 R CB -0.005 30.234 30.300 -0.101 0.000 1.145 138 R HN 0.400 nan 8.270 nan 0.000 0.467 139 F N 5.138 125.080 119.950 -0.013 0.000 2.462 139 F HA 0.164 4.670 4.527 -0.035 0.000 0.360 139 F C 0.379 176.173 175.800 -0.011 0.000 1.134 139 F CA -0.311 57.680 58.000 -0.014 0.000 1.148 139 F CB 0.511 39.522 39.000 0.020 0.000 1.147 139 F HN 0.214 nan 8.300 nan 0.000 0.550 140 L N 4.059 125.370 121.223 0.147 0.000 2.326 140 L HA 0.500 4.819 4.340 -0.034 0.000 0.278 140 L C 0.328 177.256 176.870 0.098 0.000 1.092 140 L CA -0.405 54.484 54.840 0.082 0.000 0.810 140 L CB 1.275 43.344 42.059 0.016 0.000 1.153 140 L HN 0.607 nan 8.230 nan 0.000 0.439 141 T N 0.077 114.678 114.554 0.079 0.000 2.901 141 T HA 0.727 5.056 4.350 -0.034 0.000 0.293 141 T C -0.838 173.888 174.700 0.043 0.000 1.084 141 T CA -0.840 61.298 62.100 0.063 0.000 1.008 141 T CB 2.260 71.173 68.868 0.075 0.000 1.170 141 T HN 0.338 nan 8.240 nan 0.000 0.509 142 V N 1.947 121.876 119.914 0.026 0.000 2.888 142 V HA 0.730 4.830 4.120 -0.034 0.000 0.309 142 V C -2.741 173.356 176.094 0.005 0.000 1.114 142 V CA -2.370 59.939 62.300 0.015 0.000 0.940 142 V CB 2.493 34.316 31.823 -0.000 0.000 1.021 142 V HN 0.986 nan 8.190 nan 0.000 0.426 143 P HA 0.487 nan 4.420 nan 0.000 0.276 143 P C -1.159 176.117 177.300 -0.040 0.000 1.244 143 P CA -0.296 62.811 63.100 0.012 0.000 0.801 143 P CB 1.666 33.401 31.700 0.057 0.000 1.006 144 A N 1.356 124.121 122.820 -0.090 0.000 2.355 144 A HA 0.778 5.078 4.320 -0.034 0.000 0.317 144 A C -0.029 177.479 177.584 -0.126 0.000 1.094 144 A CA -0.467 51.493 52.037 -0.130 0.000 0.764 144 A CB 1.431 20.308 19.000 -0.205 0.000 1.230 144 A HN 0.644 nan 8.150 nan 0.000 0.448 145 G N -0.439 108.307 108.800 -0.090 0.000 3.015 145 G HA2 0.505 4.445 3.960 -0.034 0.000 0.281 145 G HA3 0.505 4.445 3.960 -0.034 0.000 0.281 145 G C 0.082 174.948 174.900 -0.057 0.000 1.386 145 G CA -0.447 44.620 45.100 -0.056 0.000 0.959 145 G HN 0.682 nan 8.290 nan 0.000 0.522 146 E N -0.417 119.771 120.200 -0.020 0.000 2.393 146 E HA -0.118 4.211 4.350 -0.034 0.000 0.201 146 E C 0.991 177.577 176.600 -0.024 0.000 1.025 146 E CA 0.841 57.236 56.400 -0.008 0.000 0.856 146 E CB 0.278 29.993 29.700 0.025 0.000 0.771 146 E HN 0.336 nan 8.360 nan 0.000 0.526 147 E N -0.446 119.734 120.200 -0.034 0.000 2.465 147 E HA 0.153 4.482 4.350 -0.034 0.000 0.195 147 E C 0.719 177.281 176.600 -0.063 0.000 1.028 147 E CA 0.429 56.804 56.400 -0.041 0.000 0.899 147 E CB 0.915 30.598 29.700 -0.029 0.000 1.032 147 E HN 0.278 nan 8.360 nan 0.000 0.468 148 G N 2.363 111.114 108.800 -0.081 0.000 2.445 148 G HA2 -0.184 3.755 3.960 -0.034 0.000 0.212 148 G HA3 -0.184 3.755 3.960 -0.034 0.000 0.212 148 G C -2.731 172.114 174.900 -0.092 0.000 1.217 148 G CA -0.578 44.462 45.100 -0.100 0.000 1.002 148 G HN 0.061 nan 8.290 nan 0.000 0.574 149 P HA 0.323 nan 4.420 nan 0.000 0.284 149 P C -1.109 176.162 177.300 -0.048 0.000 1.258 149 P CA -0.298 62.760 63.100 -0.070 0.000 0.824 149 P CB 1.320 32.980 31.700 -0.067 0.000 1.038 150 D N 2.518 122.897 120.400 -0.036 0.000 2.385 150 D HA 0.024 4.643 4.640 -0.034 0.000 0.260 150 D C 1.370 177.657 176.300 -0.021 0.000 1.326 150 D CA 0.100 54.086 54.000 -0.023 0.000 1.023 150 D CB -0.163 40.631 40.800 -0.010 0.000 1.083 150 D HN 0.244 nan 8.370 nan 0.000 0.517 151 L N 2.482 123.690 121.223 -0.025 0.000 2.187 151 L HA -0.170 4.150 4.340 -0.034 0.000 0.213 151 L C 1.702 178.561 176.870 -0.019 0.000 1.100 151 L CA 0.793 55.619 54.840 -0.024 0.000 0.765 151 L CB -0.111 41.931 42.059 -0.028 0.000 0.904 151 L HN 0.318 nan 8.230 nan 0.000 0.437 152 D N 0.339 120.730 120.400 -0.015 0.000 2.085 152 D HA -0.104 4.516 4.640 -0.034 0.000 0.199 152 D C 2.281 178.576 176.300 -0.008 0.000 0.981 152 D CA 1.457 55.450 54.000 -0.012 0.000 0.834 152 D CB -0.036 40.759 40.800 -0.009 0.000 0.992 152 D HN 0.249 nan 8.370 nan 0.000 0.457 153 A N 1.112 123.929 122.820 -0.005 0.000 1.958 153 A HA -0.197 4.102 4.320 -0.034 0.000 0.221 153 A C 2.258 179.840 177.584 -0.002 0.000 1.178 153 A CA 1.232 53.269 52.037 0.000 0.000 0.642 153 A CB -0.839 18.164 19.000 0.005 0.000 0.816 153 A HN 0.256 nan 8.150 nan 0.000 0.453 154 L N -0.762 120.457 121.223 -0.007 0.000 2.156 154 L HA -0.087 4.232 4.340 -0.034 0.000 0.208 154 L C 2.299 179.162 176.870 -0.012 0.000 1.095 154 L CA 2.032 56.866 54.840 -0.010 0.000 0.770 154 L CB -0.245 41.805 42.059 -0.015 0.000 0.914 154 L HN 0.548 nan 8.230 nan 0.000 0.439 155 E N -0.657 119.535 120.200 -0.013 0.000 2.072 155 E HA -0.276 4.054 4.350 -0.034 0.000 0.191 155 E C 1.947 178.541 176.600 -0.011 0.000 0.985 155 E CA 1.126 57.517 56.400 -0.015 0.000 0.801 155 E CB 0.111 29.801 29.700 -0.016 0.000 0.750 155 E HN 0.433 nan 8.360 nan 0.000 0.452 156 E N -0.019 120.177 120.200 -0.007 0.000 2.204 156 E HA -0.100 4.229 4.350 -0.034 0.000 0.194 156 E C 1.804 178.402 176.600 -0.004 0.000 0.989 156 E CA 0.529 56.926 56.400 -0.005 0.000 0.824 156 E CB 0.043 29.742 29.700 -0.002 0.000 0.756 156 E HN 0.063 nan 8.360 nan 0.000 0.477 157 V N 0.044 119.956 119.914 -0.003 0.000 2.591 157 V HA -0.129 3.970 4.120 -0.034 0.000 0.249 157 V C 2.044 178.134 176.094 -0.007 0.000 1.053 157 V CA 1.049 63.348 62.300 -0.002 0.000 1.068 157 V CB -0.221 31.603 31.823 0.001 0.000 0.689 157 V HN 0.270 nan 8.190 nan 0.000 0.462 158 L N -0.295 120.922 121.223 -0.010 0.000 2.156 158 L HA -0.060 4.260 4.340 -0.034 0.000 0.208 158 L C 2.302 179.165 176.870 -0.012 0.000 1.095 158 L CA 1.809 56.641 54.840 -0.013 0.000 0.770 158 L CB -0.566 41.484 42.059 -0.015 0.000 0.914 158 L HN 0.213 nan 8.230 nan 0.000 0.439 159 K N -1.087 119.307 120.400 -0.011 0.000 2.217 159 K HA -0.052 4.247 4.320 -0.034 0.000 0.202 159 K C 2.068 178.663 176.600 -0.008 0.000 1.051 159 K CA 0.801 57.082 56.287 -0.010 0.000 0.952 159 K CB 0.031 32.525 32.500 -0.009 0.000 0.736 159 K HN 0.306 nan 8.250 nan 0.000 0.453 160 R N 0.409 120.905 120.500 -0.007 0.000 2.127 160 R HA 0.043 4.363 4.340 -0.034 0.000 0.217 160 R C 0.532 176.828 176.300 -0.007 0.000 1.074 160 R CA 0.623 56.719 56.100 -0.005 0.000 0.991 160 R CB 0.280 30.579 30.300 -0.003 0.000 0.895 160 R HN 0.125 nan 8.270 nan 0.000 0.450 161 E N 0.047 120.241 120.200 -0.010 0.000 2.372 161 E HA 0.238 4.567 4.350 -0.034 0.000 0.279 161 E C -1.312 175.278 176.600 -0.017 0.000 0.946 161 E CA -0.655 55.737 56.400 -0.013 0.000 0.769 161 E CB 1.605 31.295 29.700 -0.017 0.000 1.230 161 E HN -0.084 nan 8.360 nan 0.000 0.442 162 R N 3.793 124.283 120.500 -0.016 0.000 2.233 162 R HA 0.344 4.664 4.340 -0.034 0.000 0.334 162 R C -2.199 174.085 176.300 -0.027 0.000 1.037 162 R CA -1.712 54.379 56.100 -0.015 0.000 0.920 162 R CB 1.064 31.363 30.300 -0.003 0.000 1.137 162 R HN 0.330 nan 8.270 nan 0.000 0.492 163 P HA 0.141 nan 4.420 nan 0.000 0.280 163 P C 0.224 177.476 177.300 -0.080 0.000 1.244 163 P CA -0.548 62.497 63.100 -0.092 0.000 0.784 163 P CB 1.128 32.755 31.700 -0.123 0.000 0.913 164 R N 1.889 122.335 120.500 -0.090 0.000 2.154 164 R HA -0.095 4.225 4.340 -0.034 0.000 0.248 164 R C 0.899 177.243 176.300 0.073 0.000 1.155 164 R CA 1.444 57.559 56.100 0.025 0.000 0.979 164 R CB -1.042 29.313 30.300 0.092 0.000 0.869 164 R HN 0.743 nan 8.270 nan 0.000 0.452 165 F N -4.148 115.706 119.950 -0.161 0.000 2.829 165 F HA 0.406 4.912 4.527 -0.034 0.000 0.319 165 F C -2.035 173.702 175.800 -0.105 0.000 1.153 165 F CA -1.760 56.122 58.000 -0.196 0.000 0.912 165 F CB 0.511 39.267 39.000 -0.408 0.000 1.292 165 F HN -0.306 nan 8.300 nan 0.000 0.447 166 L N 3.104 124.426 121.223 0.165 0.000 2.307 166 L HA 0.461 4.781 4.340 -0.034 0.000 0.284 166 L C -1.004 176.081 176.870 0.359 0.000 1.023 166 L CA -0.774 54.136 54.840 0.116 0.000 0.810 166 L CB 1.190 43.293 42.059 0.073 0.000 1.231 166 L HN 0.685 nan 8.230 nan 0.000 0.423 167 Y N 4.376 124.808 120.300 0.219 0.000 2.385 167 Y HA 0.722 5.251 4.550 -0.035 0.000 0.341 167 Y C -1.089 174.917 175.900 0.177 0.000 0.965 167 Y CA -0.582 57.721 58.100 0.339 0.000 1.180 167 Y CB 0.653 39.451 38.460 0.563 0.000 1.139 167 Y HN 0.491 nan 8.280 nan 0.000 0.502 168 L N 6.783 127.814 121.223 -0.321 0.000 2.303 168 L HA 0.596 4.915 4.340 -0.034 0.000 0.266 168 L C -0.589 175.979 176.870 -0.504 0.000 1.011 168 L CA -1.022 53.615 54.840 -0.338 0.000 0.818 168 L CB 2.355 44.330 42.059 -0.140 0.000 1.326 168 L HN 0.547 nan 8.230 nan 0.000 0.435 169 I N 1.416 121.777 120.570 -0.348 0.000 2.917 169 I HA 0.177 4.327 4.170 -0.034 0.000 0.292 169 I C -1.920 174.079 176.117 -0.197 0.000 1.510 169 I CA -1.114 60.021 61.300 -0.276 0.000 0.858 169 I CB 1.150 39.004 38.000 -0.243 0.000 1.862 169 I HN 0.367 nan 8.210 nan 0.000 0.615 170 P HA -0.156 nan 4.420 nan 0.000 0.217 170 P C 0.304 177.447 177.300 -0.263 0.000 1.162 170 P CA 1.442 64.439 63.100 -0.172 0.000 0.901 170 P CB 0.180 31.812 31.700 -0.113 0.000 0.793 171 S N -0.046 115.488 115.700 -0.277 0.000 2.409 171 S HA 0.324 4.774 4.470 -0.034 0.000 0.308 171 S C -0.533 173.780 174.600 -0.478 0.000 1.080 171 S CA -0.429 57.429 58.200 -0.570 0.000 1.081 171 S CB -1.093 61.892 63.200 -0.358 0.000 1.009 171 S HN 0.091 nan 8.310 nan 0.000 0.502 172 F N 0.355 120.240 119.950 -0.108 0.000 2.905 172 F HA -0.185 4.322 4.527 -0.035 0.000 0.311 172 F C 0.812 176.465 175.800 -0.245 0.000 1.005 172 F CA -0.063 57.821 58.000 -0.193 0.000 1.029 172 F CB -2.023 36.813 39.000 -0.274 0.000 1.151 172 F HN 0.594 nan 8.300 nan 0.000 0.805 173 Q N 1.583 121.311 119.800 -0.120 0.000 2.326 173 Q HA -0.063 4.256 4.340 -0.034 0.000 0.314 173 Q C 0.394 176.288 176.000 -0.177 0.000 1.091 173 Q CA 0.380 56.092 55.803 -0.152 0.000 0.974 173 Q CB 0.563 29.183 28.738 -0.196 0.000 1.220 173 Q HN 0.479 nan 8.270 nan 0.000 0.398 174 N N 4.175 122.774 118.700 -0.169 0.000 2.421 174 N HA 0.261 4.980 4.740 -0.034 0.000 0.285 174 N C -2.183 173.132 175.510 -0.325 0.000 1.027 174 N CA -2.015 50.862 53.050 -0.289 0.000 0.918 174 N CB 1.393 39.831 38.487 -0.082 0.000 1.152 174 N HN 0.362 nan 8.380 nan 0.000 0.485 175 P HA 0.075 nan 4.420 nan 0.000 0.264 175 P C 0.867 177.854 177.300 -0.522 0.000 1.259 175 P CA 0.410 63.007 63.100 -0.839 0.000 0.841 175 P CB 0.263 31.234 31.700 -1.214 0.000 1.232 176 T N -3.606 110.573 114.554 -0.626 0.000 2.867 176 T HA 0.080 4.410 4.350 -0.034 0.000 0.268 176 T C 1.710 176.373 174.700 -0.062 0.000 1.057 176 T CA 1.452 63.288 62.100 -0.438 0.000 1.136 176 T CB -1.379 67.137 68.868 -0.585 0.000 0.874 176 T HN 0.194 nan 8.240 nan 0.000 0.466 177 G N 0.951 109.714 108.800 -0.061 0.000 2.136 177 G HA2 -0.036 3.903 3.960 -0.034 0.000 0.242 177 G HA3 -0.036 3.903 3.960 -0.034 0.000 0.242 177 G C 0.399 175.336 174.900 0.061 0.000 0.989 177 G CA 0.027 45.167 45.100 0.068 0.000 0.682 177 G HN 1.033 nan 8.290 nan 0.000 0.522 178 G N -0.960 107.812 108.800 -0.046 0.000 2.606 178 G HA2 0.559 4.498 3.960 -0.034 0.000 0.252 178 G HA3 0.559 4.498 3.960 -0.034 0.000 0.252 178 G C -0.303 174.537 174.900 -0.100 0.000 1.206 178 G CA -0.212 44.853 45.100 -0.058 0.000 0.861 178 G HN 0.813 nan 8.290 nan 0.000 0.561 179 L N 0.496 121.650 121.223 -0.115 0.000 2.410 179 L HA 0.481 4.800 4.340 -0.034 0.000 0.270 179 L C -0.281 176.490 176.870 -0.166 0.000 0.983 179 L CA -0.418 54.285 54.840 -0.227 0.000 0.822 179 L CB 2.018 43.953 42.059 -0.207 0.000 1.285 179 L HN 0.481 nan 8.230 nan 0.000 0.409 180 T N 6.300 120.741 114.554 -0.189 0.000 2.728 180 T HA 0.369 4.698 4.350 -0.034 0.000 0.296 180 T C -2.418 172.212 174.700 -0.116 0.000 0.940 180 T CA -1.004 61.017 62.100 -0.131 0.000 1.013 180 T CB 1.060 69.854 68.868 -0.124 0.000 0.912 180 T HN 0.378 nan 8.240 nan 0.000 0.484 181 P HA 0.061 nan 4.420 nan 0.000 0.268 181 P C 1.044 178.306 177.300 -0.063 0.000 1.205 181 P CA -0.522 62.539 63.100 -0.065 0.000 0.771 181 P CB 0.507 32.180 31.700 -0.044 0.000 0.858 182 L N 6.400 127.588 121.223 -0.058 0.000 2.151 182 L HA -0.166 4.154 4.340 -0.034 0.000 0.215 182 L C -1.048 175.794 176.870 -0.046 0.000 1.084 182 L CA 2.720 57.528 54.840 -0.053 0.000 0.764 182 L CB -1.947 40.084 42.059 -0.047 0.000 0.891 182 L HN 0.428 nan 8.230 nan 0.000 0.435 183 P HA -0.107 nan 4.420 nan 0.000 0.213 183 P C 1.677 178.953 177.300 -0.040 0.000 1.170 183 P CA 2.018 65.096 63.100 -0.036 0.000 0.889 183 P CB -0.238 31.444 31.700 -0.031 0.000 0.782 184 A N 0.157 122.952 122.820 -0.042 0.000 1.958 184 A HA -0.289 4.010 4.320 -0.034 0.000 0.221 184 A C 2.204 179.760 177.584 -0.047 0.000 1.178 184 A CA 1.890 53.901 52.037 -0.044 0.000 0.642 184 A CB -1.204 17.767 19.000 -0.049 0.000 0.816 184 A HN 0.106 nan 8.150 nan 0.000 0.453 185 R N -0.502 119.968 120.500 -0.051 0.000 2.081 185 R HA -0.106 4.213 4.340 -0.034 0.000 0.235 185 R C 2.162 178.436 176.300 -0.044 0.000 1.131 185 R CA 1.620 57.691 56.100 -0.049 0.000 0.960 185 R CB -0.300 29.968 30.300 -0.053 0.000 0.856 185 R HN 0.527 nan 8.270 nan 0.000 0.436 186 K N 0.308 120.681 120.400 -0.045 0.000 2.097 186 K HA -0.130 4.169 4.320 -0.034 0.000 0.205 186 K C 2.191 178.762 176.600 -0.049 0.000 1.050 186 K CA 1.049 57.308 56.287 -0.046 0.000 0.938 186 K CB -0.069 32.405 32.500 -0.043 0.000 0.718 186 K HN 0.061 nan 8.250 nan 0.000 0.442 187 R N 0.913 121.386 120.500 -0.045 0.000 2.075 187 R HA -0.092 4.228 4.340 -0.034 0.000 0.232 187 R C 2.126 178.398 176.300 -0.048 0.000 1.126 187 R CA 0.911 56.984 56.100 -0.045 0.000 0.963 187 R CB -0.190 30.087 30.300 -0.038 0.000 0.858 187 R HN 0.076 nan 8.270 nan 0.000 0.435 188 L N 0.832 122.029 121.223 -0.044 0.000 2.275 188 L HA -0.038 4.281 4.340 -0.034 0.000 0.215 188 L C 1.786 178.629 176.870 -0.045 0.000 1.119 188 L CA 1.272 56.088 54.840 -0.041 0.000 0.790 188 L CB -0.351 41.687 42.059 -0.036 0.000 0.919 188 L HN 0.305 nan 8.230 nan 0.000 0.443 189 L N -1.149 120.042 121.223 -0.053 0.000 2.095 189 L HA -0.089 4.230 4.340 -0.034 0.000 0.204 189 L C 2.418 179.214 176.870 -0.123 0.000 1.080 189 L CA 1.473 56.271 54.840 -0.070 0.000 0.759 189 L CB -0.646 41.376 42.059 -0.061 0.000 0.914 189 L HN 0.261 nan 8.230 nan 0.000 0.439 190 Q N -0.715 119.022 119.800 -0.105 0.000 2.084 190 Q HA -0.182 4.137 4.340 -0.034 0.000 0.202 190 Q C 2.223 178.153 176.000 -0.118 0.000 0.978 190 Q CA 2.002 57.734 55.803 -0.118 0.000 0.844 190 Q CB -0.403 28.285 28.738 -0.084 0.000 0.898 190 Q HN 0.566 nan 8.270 nan 0.000 0.426 191 M N -0.356 119.192 119.600 -0.087 0.000 2.213 191 M HA -0.147 4.312 4.480 -0.034 0.000 0.263 191 M C 2.180 178.430 176.300 -0.084 0.000 1.062 191 M CA 0.991 56.248 55.300 -0.071 0.000 1.105 191 M CB -0.180 32.391 32.600 -0.049 0.000 1.385 191 M HN -0.027 nan 8.290 nan 0.000 0.417 192 V N 0.186 120.037 119.914 -0.106 0.000 2.346 192 V HA -0.191 3.909 4.120 -0.034 0.000 0.244 192 V C 2.278 178.217 176.094 -0.258 0.000 1.037 192 V CA 1.506 63.739 62.300 -0.111 0.000 1.029 192 V CB -0.384 31.407 31.823 -0.052 0.000 0.663 192 V HN 0.488 nan 8.190 nan 0.000 0.454 193 M N -0.604 118.725 119.600 -0.452 0.000 2.296 193 M HA -0.147 4.313 4.480 -0.034 0.000 0.265 193 M C 2.074 178.202 176.300 -0.286 0.000 1.064 193 M CA 1.402 56.314 55.300 -0.646 0.000 1.109 193 M CB -0.453 31.777 32.600 -0.617 0.000 1.396 193 M HN 0.252 nan 8.290 nan 0.000 0.430 194 E N 0.810 120.898 120.200 -0.186 0.000 2.333 194 E HA -0.099 4.231 4.350 -0.034 0.000 0.198 194 E C 0.897 177.454 176.600 -0.072 0.000 1.007 194 E CA 0.969 57.305 56.400 -0.107 0.000 0.845 194 E CB 0.206 29.856 29.700 -0.083 0.000 0.766 194 E HN 0.368 nan 8.360 nan 0.000 0.507 195 R N -2.079 118.379 120.500 -0.069 0.000 2.569 195 R HA 0.232 4.551 4.340 -0.034 0.000 0.422 195 R C 0.584 176.890 176.300 0.010 0.000 0.980 195 R CA 0.326 56.411 56.100 -0.025 0.000 1.164 195 R CB 1.047 31.336 30.300 -0.018 0.000 1.520 195 R HN 0.108 nan 8.270 nan 0.000 0.567 196 G N 1.994 110.805 108.800 0.017 0.000 2.361 196 G HA2 -0.305 3.634 3.960 -0.034 0.000 0.294 196 G HA3 -0.305 3.634 3.960 -0.034 0.000 0.294 196 G C 0.176 175.188 174.900 0.187 0.000 1.004 196 G CA 0.458 45.645 45.100 0.146 0.000 0.870 196 G HN 0.202 nan 8.290 nan 0.000 0.510 197 L N -0.632 120.677 121.223 0.144 0.000 2.395 197 L HA 0.441 4.760 4.340 -0.034 0.000 0.269 197 L C 1.010 177.986 176.870 0.177 0.000 1.133 197 L CA -0.924 53.990 54.840 0.123 0.000 0.812 197 L CB 1.282 43.379 42.059 0.063 0.000 1.125 197 L HN -0.061 nan 8.230 nan 0.000 0.452 198 V N 3.257 123.227 119.914 0.092 0.000 2.546 198 V HA 0.231 4.330 4.120 -0.034 0.000 0.284 198 V C 0.097 176.234 176.094 0.072 0.000 1.050 198 V CA -0.375 61.943 62.300 0.030 0.000 0.981 198 V CB 1.809 33.539 31.823 -0.155 0.000 0.990 198 V HN 0.386 nan 8.190 nan 0.000 0.474 199 V N 5.738 125.699 119.914 0.079 0.000 2.444 199 V HA 0.381 4.480 4.120 -0.034 0.000 0.294 199 V C -0.253 175.890 176.094 0.082 0.000 1.022 199 V CA -0.528 61.841 62.300 0.115 0.000 0.850 199 V CB 2.105 34.007 31.823 0.131 0.000 0.992 199 V HN 0.589 nan 8.190 nan 0.000 0.426 200 V N 5.050 125.036 119.914 0.121 0.000 2.333 200 V HA 0.347 4.447 4.120 -0.034 0.000 0.274 200 V C 0.171 176.317 176.094 0.087 0.000 1.028 200 V CA -0.396 61.953 62.300 0.081 0.000 0.851 200 V CB 1.435 33.314 31.823 0.093 0.000 1.000 200 V HN 0.932 nan 8.190 nan 0.000 0.456 201 E N 4.197 124.422 120.200 0.043 0.000 2.081 201 E HA 0.194 4.523 4.350 -0.034 0.000 0.276 201 E C -0.811 175.680 176.600 -0.181 0.000 0.950 201 E CA -0.545 55.838 56.400 -0.027 0.000 0.776 201 E CB 0.820 30.602 29.700 0.137 0.000 1.094 201 E HN 0.669 nan 8.360 nan 0.000 0.402 202 D N 4.350 124.614 120.400 -0.227 0.000 2.396 202 D HA 0.075 4.695 4.640 -0.034 0.000 0.225 202 D C -0.873 175.266 176.300 -0.268 0.000 1.121 202 D CA -0.281 53.575 54.000 -0.240 0.000 0.853 202 D CB 1.091 41.813 40.800 -0.130 0.000 1.043 202 D HN 0.411 nan 8.370 nan 0.000 0.500 203 D N 2.477 122.632 120.400 -0.408 0.000 2.894 203 D HA 0.295 4.915 4.640 -0.034 0.000 0.273 203 D C 1.335 177.515 176.300 -0.200 0.000 1.328 203 D CA -0.296 53.557 54.000 -0.245 0.000 0.845 203 D CB 0.396 41.060 40.800 -0.226 0.000 1.072 203 D HN 0.413 nan 8.370 nan 0.000 0.484 204 A N -0.272 122.404 122.820 -0.240 0.000 1.986 204 A HA -0.206 4.094 4.320 -0.034 0.000 0.220 204 A C 1.025 178.367 177.584 -0.402 0.000 1.171 204 A CA 1.221 53.031 52.037 -0.379 0.000 0.640 204 A CB -0.538 18.137 19.000 -0.542 0.000 0.811 204 A HN 0.484 nan 8.150 nan 0.000 0.451 205 Y N -1.134 119.168 120.300 0.003 0.000 2.571 205 Y HA 0.231 4.762 4.550 -0.032 0.000 0.275 205 Y C 1.776 177.802 175.900 0.209 0.000 1.179 205 Y CA -0.017 58.131 58.100 0.080 0.000 1.242 205 Y CB -0.208 38.324 38.460 0.119 0.000 1.126 205 Y HN 0.377 nan 8.280 nan 0.000 0.524 206 R N 1.221 121.883 120.500 0.270 0.000 2.162 206 R HA -0.240 4.080 4.340 -0.034 0.000 0.245 206 R C 1.115 177.696 176.300 0.467 0.000 1.129 206 R CA 2.401 58.693 56.100 0.319 0.000 0.940 206 R CB -0.025 30.417 30.300 0.237 0.000 0.875 206 R HN 0.188 nan 8.270 nan 0.000 0.437 207 E N 0.267 120.703 120.200 0.393 0.000 2.494 207 E HA -0.030 4.300 4.350 -0.034 0.000 0.193 207 E C 0.136 176.737 176.600 0.001 0.000 1.074 207 E CA 0.275 56.858 56.400 0.306 0.000 0.867 207 E CB 0.284 30.143 29.700 0.266 0.000 0.924 207 E HN 0.291 nan 8.360 nan 0.000 0.502 208 L N 1.613 122.877 121.223 0.068 0.000 3.064 208 L HA 0.108 4.428 4.340 -0.034 0.000 0.233 208 L C -0.417 176.169 176.870 -0.474 0.000 1.333 208 L CA -0.450 54.284 54.840 -0.175 0.000 1.140 208 L CB -1.067 40.873 42.059 -0.198 0.000 1.519 208 L HN 0.009 nan 8.230 nan 0.000 0.493 209 Y N -3.759 116.465 120.300 -0.126 0.000 2.350 209 Y HA 0.414 4.943 4.550 -0.034 0.000 0.340 209 Y C 0.815 176.737 175.900 0.037 0.000 1.006 209 Y CA -1.123 56.896 58.100 -0.134 0.000 1.166 209 Y CB 0.155 38.776 38.460 0.269 0.000 1.168 209 Y HN 0.004 nan 8.280 nan 0.000 0.502 210 F N 2.354 122.317 119.950 0.021 0.000 2.325 210 F HA 0.129 4.636 4.527 -0.035 0.000 0.299 210 F C 1.832 177.715 175.800 0.138 0.000 1.090 210 F CA -0.014 58.004 58.000 0.030 0.000 1.392 210 F CB -1.006 37.986 39.000 -0.012 0.000 1.053 210 F HN 0.791 nan 8.300 nan 0.000 0.521 211 G N 0.382 109.431 108.800 0.414 0.000 2.529 211 G HA2 0.034 3.974 3.960 -0.034 0.000 0.277 211 G HA3 0.034 3.974 3.960 -0.034 0.000 0.277 211 G C 0.979 176.074 174.900 0.325 0.000 1.383 211 G CA 0.121 45.408 45.100 0.313 0.000 1.050 211 G HN 0.264 nan 8.290 nan 0.000 0.526 212 E N -0.720 119.610 120.200 0.218 0.000 2.489 212 E HA 0.382 4.711 4.350 -0.034 0.000 0.193 212 E C 0.525 177.230 176.600 0.175 0.000 1.057 212 E CA 0.623 57.138 56.400 0.192 0.000 0.866 212 E CB 0.019 29.789 29.700 0.117 0.000 0.916 212 E HN 0.758 nan 8.360 nan 0.000 0.500 213 A N 0.528 123.402 122.820 0.089 0.000 2.566 213 A HA 0.573 4.872 4.320 -0.034 0.000 0.290 213 A C -1.378 175.828 177.584 -0.629 0.000 1.071 213 A CA -0.763 51.144 52.037 -0.216 0.000 0.658 213 A CB 0.959 19.901 19.000 -0.097 0.000 1.285 213 A HN 0.105 nan 8.150 nan 0.000 0.427 214 R N 1.253 121.256 120.500 -0.829 0.000 2.255 214 R HA 0.597 4.916 4.340 -0.034 0.000 0.326 214 R C -1.049 175.091 176.300 -0.266 0.000 0.986 214 R CA -0.554 55.152 56.100 -0.658 0.000 0.847 214 R CB 0.342 30.281 30.300 -0.600 0.000 1.111 214 R HN 0.690 nan 8.270 nan 0.000 0.452 215 L N 6.925 128.041 121.223 -0.178 0.000 2.453 215 L HA 0.202 4.521 4.340 -0.034 0.000 0.272 215 L C -1.426 175.383 176.870 -0.102 0.000 1.182 215 L CA -1.587 53.181 54.840 -0.121 0.000 0.858 215 L CB 0.383 42.372 42.059 -0.116 0.000 1.120 215 L HN 0.543 nan 8.230 nan 0.000 0.474 216 P HA -0.005 nan 4.420 nan 0.000 0.270 216 P C -0.668 176.599 177.300 -0.054 0.000 1.221 216 P CA -0.298 62.760 63.100 -0.070 0.000 0.788 216 P CB 0.536 32.197 31.700 -0.064 0.000 0.904 217 S N -0.092 115.584 115.700 -0.039 0.000 2.681 217 S HA 0.278 4.728 4.470 -0.034 0.000 0.299 217 S C 1.309 175.925 174.600 0.026 0.000 1.113 217 S CA -0.776 57.431 58.200 0.013 0.000 1.013 217 S CB 0.635 63.871 63.200 0.061 0.000 1.076 217 S HN 0.147 nan 8.310 nan 0.000 0.534 218 L N 0.276 121.541 121.223 0.070 0.000 2.081 218 L HA -0.003 4.316 4.340 -0.034 0.000 0.212 218 L C 2.062 178.985 176.870 0.087 0.000 1.080 218 L CA 1.659 56.542 54.840 0.071 0.000 0.754 218 L CB -1.429 40.689 42.059 0.099 0.000 0.893 218 L HN 0.837 nan 8.230 nan 0.000 0.433 219 F N 0.431 120.375 119.950 -0.011 0.000 2.102 219 F HA -0.184 4.323 4.527 -0.033 0.000 0.298 219 F C 2.447 178.183 175.800 -0.107 0.000 1.105 219 F CA 1.645 59.608 58.000 -0.061 0.000 1.239 219 F CB -0.140 38.748 39.000 -0.186 0.000 0.991 219 F HN 0.150 nan 8.300 nan 0.000 0.474 220 E N 0.266 120.397 120.200 -0.114 0.000 2.031 220 E HA -0.211 4.118 4.350 -0.034 0.000 0.193 220 E C 2.357 178.861 176.600 -0.160 0.000 0.994 220 E CA 1.613 57.911 56.400 -0.169 0.000 0.800 220 E CB -0.424 29.213 29.700 -0.105 0.000 0.752 220 E HN 0.398 nan 8.360 nan 0.000 0.447 221 L N 0.613 121.775 121.223 -0.100 0.000 2.013 221 L HA -0.265 4.054 4.340 -0.034 0.000 0.212 221 L C 2.602 179.419 176.870 -0.087 0.000 1.073 221 L CA 1.306 56.098 54.840 -0.079 0.000 0.753 221 L CB -0.544 41.484 42.059 -0.052 0.000 0.890 221 L HN 0.183 nan 8.230 nan 0.000 0.432 222 A N -0.622 122.144 122.820 -0.090 0.000 1.930 222 A HA -0.202 4.098 4.320 -0.034 0.000 0.217 222 A C 2.467 179.977 177.584 -0.122 0.000 1.175 222 A CA 1.319 53.326 52.037 -0.050 0.000 0.627 222 A CB -0.514 18.502 19.000 0.028 0.000 0.815 222 A HN 0.260 nan 8.150 nan 0.000 0.443 223 R N 0.554 120.876 120.500 -0.297 0.000 2.115 223 R HA -0.131 4.189 4.340 -0.034 0.000 0.230 223 R C 1.610 177.807 176.300 -0.172 0.000 1.111 223 R CA 1.614 57.521 56.100 -0.323 0.000 0.976 223 R CB -0.240 29.734 30.300 -0.543 0.000 0.870 223 R HN 0.854 nan 8.270 nan 0.000 0.445 224 E N -1.031 119.085 120.200 -0.140 0.000 2.416 224 E HA 0.067 4.397 4.350 -0.034 0.000 0.189 224 E C 0.728 177.292 176.600 -0.061 0.000 1.091 224 E CA 0.426 56.772 56.400 -0.089 0.000 0.889 224 E CB 0.445 30.097 29.700 -0.080 0.000 1.015 224 E HN 0.243 nan 8.360 nan 0.000 0.479 225 A N 0.418 123.207 122.820 -0.052 0.000 2.066 225 A HA 0.549 4.849 4.320 -0.034 0.000 0.198 225 A C 1.818 179.401 177.584 -0.002 0.000 1.405 225 A CA 0.467 52.488 52.037 -0.025 0.000 0.973 225 A CB 0.510 19.498 19.000 -0.020 0.000 1.026 225 A HN 0.539 nan 8.150 nan 0.000 0.474 226 G N -2.158 106.642 108.800 -0.000 0.000 2.229 226 G HA2 -0.218 3.722 3.960 -0.034 0.000 0.189 226 G HA3 -0.218 3.722 3.960 -0.034 0.000 0.189 226 G C -0.014 174.924 174.900 0.063 0.000 1.000 226 G CA 0.134 45.244 45.100 0.016 0.000 0.663 226 G HN 0.757 nan 8.290 nan 0.000 0.493 227 Y N 3.612 123.872 120.300 -0.066 0.000 2.402 227 Y HA 0.535 5.065 4.550 -0.034 0.000 0.333 227 Y C -1.653 174.212 175.900 -0.057 0.000 1.076 227 Y CA -1.444 56.624 58.100 -0.053 0.000 1.299 227 Y CB 1.555 39.982 38.460 -0.054 0.000 1.197 227 Y HN 0.047 nan 8.280 nan 0.000 0.517 228 P HA 0.245 nan 4.420 nan 0.000 0.263 228 P C 0.283 177.293 177.300 -0.483 0.000 1.821 228 P CA 0.093 62.998 63.100 -0.324 0.000 1.186 228 P CB 0.340 32.000 31.700 -0.066 0.000 1.623 229 G N -0.332 107.909 108.800 -0.931 0.000 3.189 229 G HA2 0.196 4.136 3.960 -0.034 0.000 0.225 229 G HA3 0.196 4.136 3.960 -0.034 0.000 0.225 229 G C 0.131 174.968 174.900 -0.105 0.000 1.159 229 G CA 0.094 44.857 45.100 -0.562 0.000 0.763 229 G HN 0.176 nan 8.290 nan 0.000 0.549 230 V N 1.596 121.518 119.914 0.014 0.000 2.427 230 V HA 0.431 4.531 4.120 -0.034 0.000 0.286 230 V C -0.248 176.021 176.094 0.291 0.000 1.034 230 V CA -0.638 61.779 62.300 0.195 0.000 0.893 230 V CB 1.834 33.834 31.823 0.295 0.000 0.982 230 V HN 0.113 nan 8.190 nan 0.000 0.452 231 I N 4.967 125.644 120.570 0.179 0.000 2.354 231 I HA 0.306 4.455 4.170 -0.034 0.000 0.286 231 I C -0.967 175.200 176.117 0.083 0.000 1.007 231 I CA -0.603 60.767 61.300 0.117 0.000 1.167 231 I CB 1.052 39.061 38.000 0.015 0.000 1.320 231 I HN 0.562 nan 8.210 nan 0.000 0.458 232 Y N 7.569 127.741 120.300 -0.213 0.000 2.336 232 Y HA 0.437 4.966 4.550 -0.034 0.000 0.335 232 Y C -0.581 175.189 175.900 -0.216 0.000 1.046 232 Y CA -0.381 57.537 58.100 -0.304 0.000 1.198 232 Y CB 0.738 38.743 38.460 -0.758 0.000 1.182 232 Y HN 0.358 nan 8.280 nan 0.000 0.502 233 L N 7.175 128.015 121.223 -0.639 0.000 2.324 233 L HA 0.529 4.848 4.340 -0.034 0.000 0.274 233 L C 0.479 176.793 176.870 -0.926 0.000 1.012 233 L CA -0.658 53.825 54.840 -0.595 0.000 0.859 233 L CB 0.893 42.765 42.059 -0.312 0.000 1.224 233 L HN 0.803 nan 8.230 nan 0.000 0.429 234 G N 0.986 108.992 108.800 -1.323 0.000 2.434 234 G HA2 0.603 4.542 3.960 -0.034 0.000 0.330 234 G HA3 0.603 4.542 3.960 -0.034 0.000 0.330 234 G C -0.969 173.108 174.900 -1.372 0.000 1.155 234 G CA -0.278 43.996 45.100 -1.376 0.000 0.917 234 G HN 0.423 nan 8.290 nan 0.000 0.493 235 S N -0.933 114.328 115.700 -0.732 0.000 2.618 235 S HA 0.631 5.081 4.470 -0.034 0.000 0.277 235 S C -0.893 173.518 174.600 -0.315 0.000 1.138 235 S CA -0.613 57.285 58.200 -0.503 0.000 0.844 235 S CB 1.124 64.136 63.200 -0.314 0.000 1.127 235 S HN 0.348 nan 8.310 nan 0.000 0.474 236 F N 1.390 121.419 119.950 0.131 0.000 2.654 236 F HA 0.346 4.853 4.527 -0.033 0.000 0.303 236 F C 1.968 177.832 175.800 0.106 0.000 1.099 236 F CA -0.240 57.868 58.000 0.179 0.000 1.270 236 F CB 0.308 39.414 39.000 0.177 0.000 1.024 236 F HN 0.463 nan 8.300 nan 0.000 0.548 237 S N -0.307 115.490 115.700 0.161 0.000 2.522 237 S HA -0.012 4.438 4.470 -0.034 0.000 0.227 237 S C 1.604 176.268 174.600 0.108 0.000 0.986 237 S CA 0.741 59.007 58.200 0.110 0.000 0.929 237 S CB -0.045 63.179 63.200 0.040 0.000 0.769 237 S HN 0.175 nan 8.310 nan 0.000 0.529 238 K N 0.884 121.332 120.400 0.079 0.000 2.469 238 K HA 0.284 4.584 4.320 -0.034 0.000 0.204 238 K C 0.955 177.658 176.600 0.172 0.000 1.047 238 K CA 0.269 56.588 56.287 0.053 0.000 1.072 238 K CB 0.870 33.243 32.500 -0.212 0.000 0.863 238 K HN 0.414 nan 8.250 nan 0.000 0.530 239 V N -4.276 115.795 119.914 0.263 0.000 3.229 239 V HA 0.277 4.376 4.120 -0.034 0.000 0.239 239 V C 1.494 177.777 176.094 0.315 0.000 1.390 239 V CA -0.293 62.192 62.300 0.307 0.000 1.231 239 V CB 0.023 32.084 31.823 0.398 0.000 1.025 239 V HN 0.054 nan 8.190 nan 0.000 0.461 240 L N 0.254 121.668 121.223 0.317 0.000 3.076 240 L HA 0.620 4.940 4.340 -0.034 0.000 0.173 240 L C 0.636 177.621 176.870 0.192 0.000 1.343 240 L CA 0.971 55.947 54.840 0.227 0.000 0.894 240 L CB 1.397 43.537 42.059 0.135 0.000 1.372 240 L HN 0.438 nan 8.230 nan 0.000 0.565 241 S N -0.461 115.303 115.700 0.106 0.000 2.649 241 S HA 0.373 4.823 4.470 -0.034 0.000 0.274 241 S C -2.309 172.281 174.600 -0.016 0.000 1.176 241 S CA -1.088 57.065 58.200 -0.078 0.000 0.988 241 S CB 1.715 64.751 63.200 -0.273 0.000 1.071 241 S HN 0.109 nan 8.310 nan 0.000 0.478 242 P HA 0.106 nan 4.420 nan 0.000 0.222 242 P C 1.472 178.770 177.300 -0.003 0.000 1.153 242 P CA 1.122 64.249 63.100 0.045 0.000 0.798 242 P CB -0.224 31.540 31.700 0.107 0.000 0.796 243 G N 0.792 109.539 108.800 -0.088 0.000 2.422 243 G HA2 -0.164 3.776 3.960 -0.034 0.000 0.218 243 G HA3 -0.164 3.776 3.960 -0.034 0.000 0.218 243 G C 1.686 176.553 174.900 -0.055 0.000 1.140 243 G CA 0.190 45.243 45.100 -0.078 0.000 0.775 243 G HN 0.207 nan 8.290 nan 0.000 0.545 244 L N -0.529 120.657 121.223 -0.063 0.000 2.261 244 L HA -0.024 4.296 4.340 -0.034 0.000 0.216 244 L C 0.786 177.666 176.870 0.018 0.000 1.114 244 L CA 0.283 55.105 54.840 -0.029 0.000 0.777 244 L CB -0.245 41.797 42.059 -0.028 0.000 0.910 244 L HN 0.155 nan 8.230 nan 0.000 0.440 245 R N -0.355 120.167 120.500 0.037 0.000 3.084 245 R HA -0.123 4.196 4.340 -0.034 0.000 0.258 245 R C -1.264 175.092 176.300 0.093 0.000 0.914 245 R CA 0.230 56.364 56.100 0.056 0.000 0.646 245 R CB -2.614 27.707 30.300 0.035 0.000 1.330 245 R HN 0.099 nan 8.270 nan 0.000 0.465 246 V N 0.176 120.181 119.914 0.151 0.000 2.488 246 V HA 0.821 4.920 4.120 -0.034 0.000 0.293 246 V C 0.323 176.604 176.094 0.312 0.000 1.027 246 V CA -0.098 62.347 62.300 0.241 0.000 0.862 246 V CB 1.869 33.860 31.823 0.280 0.000 1.008 246 V HN 0.690 nan 8.190 nan 0.000 0.428 247 A N 4.749 127.687 122.820 0.197 0.000 2.548 247 A HA 1.141 5.440 4.320 -0.034 0.000 0.282 247 A C -1.217 176.452 177.584 0.142 0.000 1.288 247 A CA -0.588 51.460 52.037 0.019 0.000 0.748 247 A CB 2.125 21.044 19.000 -0.134 0.000 1.339 247 A HN 1.516 nan 8.150 nan 0.000 0.475 248 F N -3.817 116.116 119.950 -0.029 0.000 2.741 248 F HA 0.796 5.302 4.527 -0.036 0.000 0.311 248 F C -0.683 175.090 175.800 -0.045 0.000 1.149 248 F CA -0.755 57.245 58.000 -0.000 0.000 0.930 248 F CB 1.143 40.165 39.000 0.036 0.000 1.312 248 F HN 1.124 nan 8.300 nan 0.000 0.450 249 A N 1.669 124.630 122.820 0.235 0.000 2.359 249 A HA 0.776 5.075 4.320 -0.034 0.000 0.303 249 A C -1.830 175.866 177.584 0.186 0.000 1.066 249 A CA -0.864 51.240 52.037 0.111 0.000 0.730 249 A CB 1.424 20.454 19.000 0.051 0.000 1.211 249 A HN 0.937 nan 8.150 nan 0.000 0.439 250 V N 1.651 121.641 119.914 0.126 0.000 2.398 250 V HA 0.828 4.928 4.120 -0.034 0.000 0.286 250 V C 0.451 176.538 176.094 -0.012 0.000 1.026 250 V CA 0.360 62.670 62.300 0.017 0.000 0.868 250 V CB 0.798 32.521 31.823 -0.167 0.000 0.982 250 V HN 1.469 nan 8.190 nan 0.000 0.443 251 A N 2.924 125.803 122.820 0.098 0.000 2.557 251 A HA 0.636 4.936 4.320 -0.034 0.000 0.292 251 A C -0.938 176.773 177.584 0.211 0.000 1.139 251 A CA -0.646 51.507 52.037 0.194 0.000 0.665 251 A CB 1.263 20.362 19.000 0.164 0.000 1.285 251 A HN 0.870 nan 8.150 nan 0.000 0.433 252 H N 1.622 120.762 119.070 0.117 0.000 2.764 252 H HA 0.185 4.721 4.556 -0.034 0.000 0.341 252 H C -1.444 173.915 175.328 0.051 0.000 1.072 252 H CA -0.745 55.342 56.048 0.066 0.000 1.444 252 H CB 1.341 31.115 29.762 0.020 0.000 1.458 252 H HN 0.327 nan 8.280 nan 0.000 0.572 253 P HA -0.293 nan 4.420 nan 0.000 0.219 253 P C 1.272 178.649 177.300 0.129 0.000 1.158 253 P CA 1.887 64.935 63.100 -0.085 0.000 0.895 253 P CB 0.393 31.954 31.700 -0.232 0.000 0.792 254 E N 0.360 120.800 120.200 0.400 0.000 2.065 254 E HA -0.213 4.116 4.350 -0.034 0.000 0.201 254 E C 2.132 178.821 176.600 0.148 0.000 1.016 254 E CA 2.193 58.752 56.400 0.266 0.000 0.818 254 E CB -1.107 28.719 29.700 0.211 0.000 0.749 254 E HN 0.245 nan 8.360 nan 0.000 0.453 255 A N 0.618 123.550 122.820 0.187 0.000 1.930 255 A HA -0.030 4.270 4.320 -0.034 0.000 0.215 255 A C 2.207 179.842 177.584 0.086 0.000 1.176 255 A CA 0.998 53.105 52.037 0.118 0.000 0.632 255 A CB -0.625 18.507 19.000 0.220 0.000 0.819 255 A HN 0.408 nan 8.150 nan 0.000 0.445 256 L N 0.331 121.621 121.223 0.111 0.000 1.990 256 L HA -0.287 4.033 4.340 -0.034 0.000 0.213 256 L C 2.509 179.404 176.870 0.042 0.000 1.072 256 L CA 2.604 57.489 54.840 0.075 0.000 0.755 256 L CB -1.286 40.812 42.059 0.065 0.000 0.889 256 L HN 0.560 nan 8.230 nan 0.000 0.432 257 Q N -0.602 119.219 119.800 0.035 0.000 2.096 257 Q HA -0.260 4.059 4.340 -0.034 0.000 0.208 257 Q C 2.106 178.103 176.000 -0.005 0.000 0.993 257 Q CA 1.720 57.531 55.803 0.014 0.000 0.862 257 Q CB -0.161 28.585 28.738 0.014 0.000 0.915 257 Q HN 0.394 nan 8.270 nan 0.000 0.416 258 K N 0.738 121.123 120.400 -0.024 0.000 2.057 258 K HA -0.091 4.209 4.320 -0.034 0.000 0.207 258 K C 2.115 178.683 176.600 -0.054 0.000 1.049 258 K CA 1.015 57.262 56.287 -0.067 0.000 0.931 258 K CB -0.382 32.030 32.500 -0.147 0.000 0.714 258 K HN 0.267 nan 8.250 nan 0.000 0.440 259 L N 0.561 121.768 121.223 -0.026 0.000 2.056 259 L HA -0.156 4.163 4.340 -0.034 0.000 0.207 259 L C 2.409 179.286 176.870 0.012 0.000 1.078 259 L CA 0.698 55.538 54.840 0.000 0.000 0.749 259 L CB -0.614 41.466 42.059 0.035 0.000 0.901 259 L HN -0.127 nan 8.230 nan 0.000 0.433 260 V N -0.185 119.739 119.914 0.017 0.000 2.287 260 V HA -0.321 3.778 4.120 -0.034 0.000 0.248 260 V C 2.429 178.531 176.094 0.012 0.000 1.053 260 V CA 1.887 64.201 62.300 0.023 0.000 1.027 260 V CB -0.682 31.155 31.823 0.022 0.000 0.646 260 V HN 0.531 nan 8.190 nan 0.000 0.447 261 Q N -0.177 119.622 119.800 -0.001 0.000 2.224 261 Q HA -0.054 4.266 4.340 -0.034 0.000 0.203 261 Q C 2.341 178.334 176.000 -0.010 0.000 0.970 261 Q CA 1.464 57.263 55.803 -0.008 0.000 0.865 261 Q CB -0.341 28.387 28.738 -0.017 0.000 0.922 261 Q HN 0.683 nan 8.270 nan 0.000 0.445 262 A N 1.458 124.270 122.820 -0.012 0.000 1.898 262 A HA -0.134 4.165 4.320 -0.034 0.000 0.214 262 A C 2.090 179.676 177.584 0.003 0.000 1.183 262 A CA 0.944 52.974 52.037 -0.011 0.000 0.622 262 A CB -0.261 18.729 19.000 -0.017 0.000 0.824 262 A HN 0.026 nan 8.150 nan 0.000 0.444 263 K N 0.035 120.443 120.400 0.013 0.000 2.020 263 K HA -0.254 4.045 4.320 -0.034 0.000 0.212 263 K C 2.223 178.835 176.600 0.019 0.000 1.050 263 K CA 2.187 58.488 56.287 0.025 0.000 0.929 263 K CB -0.442 32.083 32.500 0.041 0.000 0.714 263 K HN 0.659 nan 8.250 nan 0.000 0.443 264 Q N -0.609 119.201 119.800 0.016 0.000 2.096 264 Q HA -0.158 4.162 4.340 -0.034 0.000 0.208 264 Q C 1.847 177.843 176.000 -0.007 0.000 0.993 264 Q CA 2.181 57.989 55.803 0.007 0.000 0.862 264 Q CB -0.438 28.300 28.738 0.001 0.000 0.915 264 Q HN 0.484 nan 8.270 nan 0.000 0.416 265 G N -0.741 108.054 108.800 -0.007 0.000 2.598 265 G HA2 -0.027 3.912 3.960 -0.034 0.000 0.215 265 G HA3 -0.027 3.912 3.960 -0.034 0.000 0.215 265 G C 1.229 176.125 174.900 -0.007 0.000 1.131 265 G CA 0.625 45.719 45.100 -0.010 0.000 0.785 265 G HN 0.473 nan 8.290 nan 0.000 0.539 266 A N 1.187 124.006 122.820 -0.003 0.000 1.874 266 A HA 0.208 4.507 4.320 -0.034 0.000 0.214 266 A C 1.575 179.154 177.584 -0.009 0.000 1.189 266 A CA 1.897 53.933 52.037 -0.002 0.000 0.615 266 A CB 0.135 19.139 19.000 0.007 0.000 0.830 266 A HN 0.419 nan 8.150 nan 0.000 0.443 267 D N -2.816 117.575 120.400 -0.015 0.000 2.848 267 D HA 0.232 4.851 4.640 -0.034 0.000 0.303 267 D C 0.568 176.824 176.300 -0.074 0.000 1.665 267 D CA 0.237 54.215 54.000 -0.037 0.000 0.807 267 D CB -1.132 39.647 40.800 -0.035 0.000 1.288 267 D HN 0.293 nan 8.370 nan 0.000 0.441 268 L N -0.433 120.762 121.223 -0.047 0.000 3.412 268 L HA -0.337 3.982 4.340 -0.034 0.000 0.253 268 L C 0.468 177.368 176.870 0.051 0.000 4.367 268 L CA 2.324 57.139 54.840 -0.042 0.000 0.793 268 L CB -1.858 40.137 42.059 -0.107 0.000 3.488 268 L HN 0.752 nan 8.230 nan 0.000 0.786 269 H N -2.593 116.509 119.070 0.054 0.000 2.987 269 H HA 0.355 4.885 4.556 -0.043 0.000 0.316 269 H C -1.050 174.321 175.328 0.072 0.000 1.380 269 H CA -0.241 55.846 56.048 0.065 0.000 1.160 269 H CB 1.258 31.067 29.762 0.079 0.000 1.865 269 H HN -0.046 nan 8.280 nan 0.000 0.521 270 T N 3.564 118.275 114.554 0.261 0.000 2.901 270 T HA 0.178 4.507 4.350 -0.034 0.000 0.301 270 T C -2.377 172.498 174.700 0.291 0.000 1.012 270 T CA -0.685 61.529 62.100 0.189 0.000 1.135 270 T CB 0.546 69.516 68.868 0.169 0.000 0.936 270 T HN 0.334 nan 8.240 nan 0.000 0.539 271 P HA -0.032 nan 4.420 nan 0.000 0.261 271 P C 0.983 178.360 177.300 0.129 0.000 1.165 271 P CA 0.127 63.315 63.100 0.146 0.000 0.759 271 P CB 0.364 32.097 31.700 0.055 0.000 0.772 272 M N 3.132 122.795 119.600 0.105 0.000 2.099 272 M HA -0.092 4.368 4.480 -0.034 0.000 0.262 272 M C 1.868 178.091 176.300 -0.127 0.000 1.067 272 M CA 1.607 56.882 55.300 -0.041 0.000 1.124 272 M CB -1.155 31.395 32.600 -0.084 0.000 1.353 272 M HN 0.440 nan 8.290 nan 0.000 0.410 273 L N 0.499 121.670 121.223 -0.087 0.000 1.956 273 L HA -0.353 3.966 4.340 -0.034 0.000 0.216 273 L C 2.067 178.874 176.870 -0.106 0.000 1.073 273 L CA 1.855 56.630 54.840 -0.108 0.000 0.762 273 L CB -0.742 41.276 42.059 -0.068 0.000 0.889 273 L HN 0.461 nan 8.230 nan 0.000 0.433 274 N N -0.828 117.838 118.700 -0.056 0.000 2.091 274 N HA -0.295 4.425 4.740 -0.034 0.000 0.193 274 N C 1.666 177.151 175.510 -0.041 0.000 1.021 274 N CA 1.701 54.727 53.050 -0.039 0.000 0.862 274 N CB -0.229 38.260 38.487 0.002 0.000 1.018 274 N HN 0.578 nan 8.380 nan 0.000 0.429 275 Q N 0.588 120.366 119.800 -0.035 0.000 2.046 275 Q HA -0.030 4.289 4.340 -0.034 0.000 0.200 275 Q C 2.211 178.169 176.000 -0.071 0.000 0.975 275 Q CA 1.221 57.026 55.803 0.003 0.000 0.836 275 Q CB -0.104 28.675 28.738 0.068 0.000 0.896 275 Q HN 0.450 nan 8.270 nan 0.000 0.428 276 M N 0.139 119.539 119.600 -0.333 0.000 2.159 276 M HA -0.157 4.303 4.480 -0.034 0.000 0.263 276 M C 2.177 178.404 176.300 -0.123 0.000 1.063 276 M CA 0.901 55.964 55.300 -0.395 0.000 1.110 276 M CB -0.314 31.918 32.600 -0.612 0.000 1.374 276 M HN 0.182 nan 8.290 nan 0.000 0.411 277 L N 0.457 121.597 121.223 -0.138 0.000 1.989 277 L HA -0.123 4.196 4.340 -0.034 0.000 0.211 277 L C 2.287 179.070 176.870 -0.144 0.000 1.071 277 L CA 1.716 56.484 54.840 -0.121 0.000 0.749 277 L CB -0.796 41.199 42.059 -0.108 0.000 0.890 277 L HN 0.029 nan 8.230 nan 0.000 0.431 278 V N -0.079 119.739 119.914 -0.160 0.000 2.380 278 V HA -0.371 3.729 4.120 -0.034 0.000 0.251 278 V C 2.595 178.473 176.094 -0.361 0.000 1.063 278 V CA 2.127 64.253 62.300 -0.290 0.000 1.055 278 V CB -1.029 30.585 31.823 -0.348 0.000 0.657 278 V HN 0.700 nan 8.190 nan 0.000 0.455 279 H N 0.175 119.049 119.070 -0.327 0.000 2.299 279 H HA -0.108 4.426 4.556 -0.037 0.000 0.302 279 H C 2.052 177.172 175.328 -0.346 0.000 1.078 279 H CA 1.299 57.131 56.048 -0.360 0.000 1.323 279 H CB 0.253 29.980 29.762 -0.058 0.000 1.381 279 H HN 0.359 nan 8.280 nan 0.000 0.498 280 E N 0.686 120.719 120.200 -0.279 0.000 2.510 280 E HA -0.084 4.246 4.350 -0.034 0.000 0.202 280 E C 1.667 178.102 176.600 -0.275 0.000 1.072 280 E CA 0.387 56.607 56.400 -0.300 0.000 0.883 280 E CB 0.215 29.815 29.700 -0.167 0.000 0.818 280 E HN 0.621 nan 8.360 nan 0.000 0.548 281 L N -1.272 119.762 121.223 -0.316 0.000 2.749 281 L HA 0.082 4.402 4.340 -0.034 0.000 0.242 281 L C 1.339 178.028 176.870 -0.302 0.000 1.103 281 L CA -0.003 54.689 54.840 -0.248 0.000 0.906 281 L CB 0.293 42.236 42.059 -0.193 0.000 1.228 281 L HN 0.044 nan 8.230 nan 0.000 0.517 282 L N 0.245 121.138 121.223 -0.550 0.000 2.590 282 L HA 0.054 4.373 4.340 -0.034 0.000 0.227 282 L C 2.174 178.625 176.870 -0.699 0.000 1.099 282 L CA 0.913 55.288 54.840 -0.774 0.000 0.872 282 L CB -0.151 41.012 42.059 -1.493 0.000 1.088 282 L HN 0.185 nan 8.230 nan 0.000 0.479 283 K N -1.179 118.857 120.400 -0.607 0.000 2.418 283 K HA 0.085 4.385 4.320 -0.034 0.000 0.195 283 K C -0.177 176.322 176.600 -0.169 0.000 1.035 283 K CA 0.590 56.648 56.287 -0.383 0.000 1.003 283 K CB 0.270 32.478 32.500 -0.486 0.000 0.793 283 K HN -0.007 nan 8.250 nan 0.000 0.494 284 E N 0.984 121.091 120.200 -0.156 0.000 2.267 284 E HA 0.192 4.522 4.350 -0.034 0.000 0.248 284 E C -0.293 176.304 176.600 -0.005 0.000 0.899 284 E CA -0.334 56.028 56.400 -0.065 0.000 0.764 284 E CB 1.329 30.981 29.700 -0.081 0.000 1.227 284 E HN 0.428 nan 8.360 nan 0.000 0.421 285 G N 3.042 111.870 108.800 0.046 0.000 2.225 285 G HA2 -0.342 3.598 3.960 -0.034 0.000 0.264 285 G HA3 -0.342 3.598 3.960 -0.034 0.000 0.264 285 G C 0.535 175.519 174.900 0.139 0.000 1.060 285 G CA 0.265 45.410 45.100 0.074 0.000 0.833 285 G HN 0.509 nan 8.290 nan 0.000 0.498 286 F N 1.513 121.452 119.950 -0.019 0.000 2.186 286 F HA -0.029 4.478 4.527 -0.032 0.000 0.299 286 F C 2.437 178.249 175.800 0.020 0.000 1.090 286 F CA 1.955 59.943 58.000 -0.019 0.000 1.307 286 F CB -0.365 38.628 39.000 -0.011 0.000 1.019 286 F HN 0.262 nan 8.300 nan 0.000 0.489 287 S N 0.549 116.279 115.700 0.051 0.000 2.353 287 S HA -0.215 4.235 4.470 -0.034 0.000 0.222 287 S C 1.828 176.403 174.600 -0.042 0.000 1.035 287 S CA 1.633 59.820 58.200 -0.022 0.000 1.025 287 S CB -0.554 62.679 63.200 0.056 0.000 0.902 287 S HN 0.588 nan 8.310 nan 0.000 0.440 288 E N 1.554 121.752 120.200 -0.002 0.000 2.285 288 E HA -0.093 4.236 4.350 -0.034 0.000 0.194 288 E C 2.001 178.591 176.600 -0.017 0.000 0.997 288 E CA 0.457 56.855 56.400 -0.003 0.000 0.845 288 E CB -0.274 29.433 29.700 0.013 0.000 0.782 288 E HN 0.515 nan 8.360 nan 0.000 0.491 289 R N 0.597 121.084 120.500 -0.022 0.000 2.073 289 R HA -0.078 4.241 4.340 -0.034 0.000 0.229 289 R C 2.185 178.450 176.300 -0.059 0.000 1.120 289 R CA 0.623 56.718 56.100 -0.008 0.000 0.967 289 R CB -0.100 30.238 30.300 0.063 0.000 0.862 289 R HN 0.047 nan 8.270 nan 0.000 0.436 290 L N 1.497 122.609 121.223 -0.184 0.000 1.970 290 L HA -0.172 4.147 4.340 -0.034 0.000 0.212 290 L C 2.496 179.314 176.870 -0.086 0.000 1.071 290 L CA 2.102 56.833 54.840 -0.181 0.000 0.751 290 L CB -1.021 40.868 42.059 -0.283 0.000 0.889 290 L HN 0.257 nan 8.230 nan 0.000 0.432 291 E N 0.213 120.371 120.200 -0.069 0.000 2.086 291 E HA -0.301 4.029 4.350 -0.034 0.000 0.200 291 E C 2.407 178.991 176.600 -0.026 0.000 1.012 291 E CA 1.817 58.196 56.400 -0.036 0.000 0.812 291 E CB -0.299 29.394 29.700 -0.011 0.000 0.743 291 E HN 0.329 nan 8.360 nan 0.000 0.453 292 R N -0.317 120.171 120.500 -0.021 0.000 2.152 292 R HA -0.070 4.249 4.340 -0.034 0.000 0.232 292 R C 2.305 178.597 176.300 -0.014 0.000 1.117 292 R CA 1.314 57.404 56.100 -0.018 0.000 0.981 292 R CB -0.298 29.995 30.300 -0.012 0.000 0.870 292 R HN 0.281 nan 8.270 nan 0.000 0.451 293 V N 0.366 120.290 119.914 0.018 0.000 2.488 293 V HA -0.094 4.006 4.120 -0.034 0.000 0.246 293 V C 2.158 178.344 176.094 0.153 0.000 1.046 293 V CA 1.402 63.753 62.300 0.085 0.000 1.053 293 V CB -0.257 31.674 31.823 0.180 0.000 0.679 293 V HN 0.284 nan 8.190 nan 0.000 0.458 294 R N 0.282 120.829 120.500 0.078 0.000 2.094 294 R HA -0.197 4.123 4.340 -0.034 0.000 0.239 294 R C 2.530 178.880 176.300 0.083 0.000 1.137 294 R CA 2.475 58.628 56.100 0.087 0.000 0.943 294 R CB -0.638 29.628 30.300 -0.056 0.000 0.850 294 R HN 0.560 nan 8.270 nan 0.000 0.433 295 R N -0.078 120.420 120.500 -0.003 0.000 2.091 295 R HA -0.136 4.183 4.340 -0.034 0.000 0.238 295 R C 1.823 178.060 176.300 -0.104 0.000 1.136 295 R CA 1.845 57.908 56.100 -0.061 0.000 0.959 295 R CB -0.271 29.995 30.300 -0.057 0.000 0.856 295 R HN 0.127 nan 8.270 nan 0.000 0.437 296 V N 0.121 119.966 119.914 -0.114 0.000 2.343 296 V HA -0.246 3.854 4.120 -0.034 0.000 0.247 296 V C 1.882 177.829 176.094 -0.245 0.000 1.051 296 V CA 1.817 63.983 62.300 -0.222 0.000 1.036 296 V CB -0.682 30.935 31.823 -0.344 0.000 0.654 296 V HN 0.367 nan 8.190 nan 0.000 0.451 297 Y N -0.161 120.153 120.300 0.023 0.000 2.337 297 Y HA -0.056 4.473 4.550 -0.035 0.000 0.293 297 Y C 2.727 178.516 175.900 -0.185 0.000 1.123 297 Y CA 1.427 59.607 58.100 0.135 0.000 1.201 297 Y CB -0.214 38.458 38.460 0.353 0.000 1.011 297 Y HN 0.044 nan 8.280 nan 0.000 0.545 298 R N 0.935 121.213 120.500 -0.369 0.000 2.081 298 R HA -0.222 4.097 4.340 -0.034 0.000 0.235 298 R C 2.083 177.987 176.300 -0.661 0.000 1.131 298 R CA 1.938 57.355 56.100 -1.139 0.000 0.960 298 R CB -0.229 29.662 30.300 -0.683 0.000 0.856 298 R HN 0.407 nan 8.270 nan 0.000 0.436 299 E N 0.410 120.387 120.200 -0.371 0.000 2.031 299 E HA -0.197 4.132 4.350 -0.034 0.000 0.193 299 E C 1.794 178.222 176.600 -0.288 0.000 0.994 299 E CA 1.458 57.690 56.400 -0.281 0.000 0.800 299 E CB 0.144 29.730 29.700 -0.191 0.000 0.752 299 E HN 0.301 nan 8.360 nan 0.000 0.447 300 K N -0.070 120.186 120.400 -0.240 0.000 2.209 300 K HA -0.114 4.186 4.320 -0.034 0.000 0.204 300 K C 2.042 178.333 176.600 -0.514 0.000 1.048 300 K CA 0.813 56.973 56.287 -0.212 0.000 0.940 300 K CB -0.042 32.476 32.500 0.029 0.000 0.729 300 K HN 0.105 nan 8.250 nan 0.000 0.451 301 A N 1.516 123.910 122.820 -0.710 0.000 1.841 301 A HA -0.175 4.125 4.320 -0.034 0.000 0.214 301 A C 2.125 179.378 177.584 -0.552 0.000 1.195 301 A CA 1.081 52.581 52.037 -0.895 0.000 0.611 301 A CB -0.377 18.250 19.000 -0.622 0.000 0.835 301 A HN 0.154 nan 8.150 nan 0.000 0.443 302 Q N -0.384 119.113 119.800 -0.505 0.000 2.152 302 Q HA -0.212 4.107 4.340 -0.034 0.000 0.206 302 Q C 2.374 178.039 176.000 -0.558 0.000 0.985 302 Q CA 1.765 57.260 55.803 -0.513 0.000 0.863 302 Q CB -0.658 27.796 28.738 -0.473 0.000 0.904 302 Q HN 0.674 nan 8.270 nan 0.000 0.422 303 A N 0.426 123.016 122.820 -0.384 0.000 1.897 303 A HA -0.171 4.129 4.320 -0.034 0.000 0.215 303 A C 2.113 179.593 177.584 -0.174 0.000 1.181 303 A CA 1.613 53.511 52.037 -0.231 0.000 0.620 303 A CB -0.452 18.459 19.000 -0.148 0.000 0.821 303 A HN 0.343 nan 8.150 nan 0.000 0.443 304 M N -0.008 119.455 119.600 -0.228 0.000 2.108 304 M HA -0.086 4.374 4.480 -0.034 0.000 0.261 304 M C 1.826 178.025 176.300 -0.169 0.000 1.066 304 M CA 1.641 56.839 55.300 -0.169 0.000 1.107 304 M CB -0.649 31.813 32.600 -0.229 0.000 1.356 304 M HN 0.362 nan 8.290 nan 0.000 0.406 305 L N -1.412 119.702 121.223 -0.181 0.000 2.027 305 L HA -0.235 4.084 4.340 -0.034 0.000 0.206 305 L C 2.394 179.277 176.870 0.022 0.000 1.074 305 L CA 1.620 56.409 54.840 -0.085 0.000 0.745 305 L CB -1.106 40.924 42.059 -0.048 0.000 0.898 305 L HN 0.451 nan 8.230 nan 0.000 0.433 306 H N -0.887 118.143 119.070 -0.066 0.000 2.489 306 H HA -0.128 4.408 4.556 -0.034 0.000 0.295 306 H C 2.134 177.430 175.328 -0.053 0.000 1.082 306 H CA 0.548 56.569 56.048 -0.045 0.000 1.295 306 H CB 0.206 29.941 29.762 -0.045 0.000 1.380 306 H HN 0.423 nan 8.280 nan 0.000 0.548 307 A N 0.539 123.382 122.820 0.040 0.000 1.943 307 A HA 0.013 4.312 4.320 -0.034 0.000 0.213 307 A C 2.267 179.799 177.584 -0.087 0.000 1.181 307 A CA 0.212 52.239 52.037 -0.016 0.000 0.653 307 A CB -0.279 18.708 19.000 -0.021 0.000 0.833 307 A HN 0.217 nan 8.150 nan 0.000 0.451 308 L N -0.197 120.916 121.223 -0.183 0.000 2.046 308 L HA -0.176 4.143 4.340 -0.034 0.000 0.208 308 L C 1.813 178.556 176.870 -0.211 0.000 1.077 308 L CA 1.344 55.951 54.840 -0.388 0.000 0.747 308 L CB -0.582 40.981 42.059 -0.828 0.000 0.896 308 L HN 0.264 nan 8.230 nan 0.000 0.432 309 D N -0.172 120.214 120.400 -0.022 0.000 2.218 309 D HA -0.138 4.481 4.640 -0.034 0.000 0.204 309 D C 2.343 178.679 176.300 0.060 0.000 0.976 309 D CA 1.033 55.109 54.000 0.127 0.000 0.853 309 D CB 0.004 40.887 40.800 0.137 0.000 0.939 309 D HN 0.307 nan 8.370 nan 0.000 0.481 310 R N 0.053 120.562 120.500 0.014 0.000 2.090 310 R HA 0.049 4.369 4.340 -0.034 0.000 0.219 310 R C 1.709 178.009 176.300 -0.001 0.000 1.100 310 R CA 0.615 56.717 56.100 0.004 0.000 0.991 310 R CB 0.237 30.534 30.300 -0.005 0.000 0.893 310 R HN 0.058 nan 8.270 nan 0.000 0.443 311 E N 0.294 120.481 120.200 -0.020 0.000 2.415 311 E HA 0.062 4.392 4.350 -0.034 0.000 0.197 311 E C 0.059 176.645 176.600 -0.024 0.000 1.007 311 E CA 0.306 56.692 56.400 -0.023 0.000 0.890 311 E CB 0.637 30.317 29.700 -0.034 0.000 0.891 311 E HN -0.005 nan 8.360 nan 0.000 0.496 312 V N 5.569 125.467 119.914 -0.026 0.000 2.348 312 V HA 0.162 4.261 4.120 -0.034 0.000 0.270 312 V C -2.023 174.125 176.094 0.090 0.000 1.037 312 V CA -1.663 60.643 62.300 0.011 0.000 0.872 312 V CB 0.845 32.646 31.823 -0.037 0.000 1.002 312 V HN 0.011 nan 8.190 nan 0.000 0.464 313 P HA 0.047 nan 4.420 nan 0.000 0.268 313 P C -0.011 177.330 177.300 0.069 0.000 1.208 313 P CA -0.335 62.794 63.100 0.048 0.000 0.777 313 P CB 1.127 32.842 31.700 0.024 0.000 0.875 314 K N 1.448 121.871 120.400 0.040 0.000 2.522 314 K HA -0.009 4.291 4.320 -0.034 0.000 0.194 314 K C 1.239 177.831 176.600 -0.014 0.000 1.026 314 K CA 0.629 56.920 56.287 0.007 0.000 1.119 314 K CB -0.457 32.033 32.500 -0.015 0.000 0.856 314 K HN 0.389 nan 8.250 nan 0.000 0.513 315 E N -0.521 119.679 120.200 0.001 0.000 2.427 315 E HA -0.041 4.288 4.350 -0.034 0.000 0.196 315 E C 0.355 176.949 176.600 -0.011 0.000 1.028 315 E CA 0.352 56.748 56.400 -0.007 0.000 0.864 315 E CB 0.241 29.940 29.700 -0.001 0.000 0.813 315 E HN 0.165 nan 8.360 nan 0.000 0.514 316 V N -0.313 119.602 119.914 0.001 0.000 2.555 316 V HA 0.579 4.678 4.120 -0.034 0.000 0.302 316 V C -0.852 175.233 176.094 -0.016 0.000 1.038 316 V CA -1.281 61.020 62.300 0.002 0.000 0.887 316 V CB 1.840 33.675 31.823 0.020 0.000 0.991 316 V HN -0.113 nan 8.190 nan 0.000 0.434 317 R N 4.035 124.507 120.500 -0.046 0.000 2.486 317 R HA 0.777 5.097 4.340 -0.034 0.000 0.286 317 R C -1.166 175.123 176.300 -0.019 0.000 0.999 317 R CA -0.366 55.653 56.100 -0.136 0.000 0.993 317 R CB 1.213 31.462 30.300 -0.086 0.000 1.084 317 R HN 0.955 nan 8.270 nan 0.000 0.487 318 Y N -2.603 117.695 120.300 -0.003 0.000 2.433 318 Y HA 0.449 4.979 4.550 -0.034 0.000 0.337 318 Y C -0.127 175.808 175.900 0.058 0.000 1.026 318 Y CA -1.557 56.548 58.100 0.007 0.000 1.037 318 Y CB 0.674 39.118 38.460 -0.026 0.000 1.245 318 Y HN 0.681 nan 8.280 nan 0.000 0.443 319 T N 0.607 115.316 114.554 0.258 0.000 2.855 319 T HA 0.300 4.630 4.350 -0.034 0.000 0.322 319 T C -0.050 174.792 174.700 0.237 0.000 1.088 319 T CA -0.769 61.459 62.100 0.214 0.000 1.104 319 T CB 0.480 69.489 68.868 0.236 0.000 0.996 319 T HN 0.718 nan 8.240 nan 0.000 0.549 320 R N 2.507 123.116 120.500 0.182 0.000 2.335 320 R HA 0.330 4.649 4.340 -0.034 0.000 0.302 320 R C -2.623 173.790 176.300 0.187 0.000 1.147 320 R CA -2.307 53.901 56.100 0.181 0.000 1.111 320 R CB 0.628 31.011 30.300 0.139 0.000 1.122 320 R HN 0.632 nan 8.270 nan 0.000 0.557 321 P HA 0.081 nan 4.420 nan 0.000 0.264 321 P C -0.324 177.135 177.300 0.264 0.000 1.193 321 P CA -0.202 63.039 63.100 0.235 0.000 0.763 321 P CB 0.954 32.836 31.700 0.303 0.000 0.810 322 K N 1.432 121.937 120.400 0.175 0.000 2.358 322 K HA 0.429 4.728 4.320 -0.034 0.000 0.197 322 K C 0.780 177.099 176.600 -0.468 0.000 1.025 322 K CA 0.033 56.432 56.287 0.188 0.000 1.104 322 K CB 0.517 33.189 32.500 0.287 0.000 0.855 322 K HN 0.767 nan 8.250 nan 0.000 0.531 323 G N -1.454 106.570 108.800 -1.294 0.000 2.377 323 G HA2 0.463 4.402 3.960 -0.034 0.000 0.297 323 G HA3 0.463 4.402 3.960 -0.034 0.000 0.297 323 G C -0.358 173.476 174.900 -1.777 0.000 1.547 323 G CA -0.165 43.285 45.100 -2.750 0.000 0.833 323 G HN 0.349 nan 8.290 nan 0.000 0.583 324 G N -0.330 107.678 108.800 -1.321 0.000 2.548 324 G HA2 0.330 4.269 3.960 -0.034 0.000 0.208 324 G HA3 0.330 4.269 3.960 -0.034 0.000 0.208 324 G C 0.573 175.195 174.900 -0.464 0.000 1.308 324 G CA 0.633 45.302 45.100 -0.719 0.000 0.924 324 G HN 2.142 nan 8.290 nan 0.000 0.540 325 M N -1.920 117.256 119.600 -0.707 0.000 2.747 325 M HA 0.704 5.164 4.480 -0.034 0.000 0.402 325 M C -0.778 174.695 176.300 -1.379 0.000 1.238 325 M CA -0.235 54.434 55.300 -1.052 0.000 0.877 325 M CB 0.490 32.510 32.600 -0.966 0.000 1.424 325 M HN 0.263 nan 8.290 nan 0.000 0.511 326 F N 0.179 119.957 119.950 -0.287 0.000 2.577 326 F HA 0.769 5.275 4.527 -0.035 0.000 0.318 326 F C -0.469 175.424 175.800 0.154 0.000 1.065 326 F CA -1.290 56.656 58.000 -0.091 0.000 0.929 326 F CB 2.225 41.170 39.000 -0.091 0.000 1.237 326 F HN -0.221 nan 8.300 nan 0.000 0.468 327 V N 2.010 122.173 119.914 0.415 0.000 2.482 327 V HA 0.180 4.279 4.120 -0.034 0.000 0.295 327 V C -1.263 175.005 176.094 0.291 0.000 1.026 327 V CA -0.928 61.569 62.300 0.328 0.000 0.856 327 V CB 2.015 33.987 31.823 0.247 0.000 1.001 327 V HN 0.804 nan 8.190 nan 0.000 0.424 328 W N 7.876 129.216 121.300 0.065 0.000 2.316 328 W HA 0.577 5.216 4.660 -0.035 0.000 0.308 328 W C -0.637 175.904 176.519 0.035 0.000 1.106 328 W CA -0.688 56.656 57.345 -0.002 0.000 1.262 328 W CB 1.509 30.944 29.460 -0.042 0.000 1.233 328 W HN 0.593 nan 8.180 nan 0.000 0.447 329 M N 5.400 124.771 119.600 -0.381 0.000 2.363 329 M HA 0.321 4.781 4.480 -0.034 0.000 0.343 329 M C -1.136 174.888 176.300 -0.459 0.000 1.165 329 M CA 0.125 55.246 55.300 -0.298 0.000 1.046 329 M CB 1.465 33.906 32.600 -0.265 0.000 1.648 329 M HN 0.442 nan 8.290 nan 0.000 0.452 330 E N 4.614 124.685 120.200 -0.215 0.000 2.216 330 E HA 0.410 4.739 4.350 -0.034 0.000 0.260 330 E C -1.374 175.171 176.600 -0.093 0.000 0.880 330 E CA -0.465 55.838 56.400 -0.161 0.000 0.765 330 E CB 1.957 31.632 29.700 -0.043 0.000 1.174 330 E HN 0.667 nan 8.360 nan 0.000 0.417 331 L N 3.963 125.126 121.223 -0.100 0.000 2.439 331 L HA 0.395 4.714 4.340 -0.034 0.000 0.261 331 L C -1.855 174.994 176.870 -0.035 0.000 1.153 331 L CA -2.043 52.760 54.840 -0.063 0.000 0.808 331 L CB 0.120 42.142 42.059 -0.062 0.000 1.126 331 L HN 0.298 nan 8.230 nan 0.000 0.460 332 P HA 0.005 nan 4.420 nan 0.000 0.269 332 P C -0.875 176.419 177.300 -0.010 0.000 1.209 332 P CA -0.348 62.744 63.100 -0.013 0.000 0.776 332 P CB 0.381 32.076 31.700 -0.009 0.000 0.876 333 K N 1.503 121.899 120.400 -0.006 0.000 2.527 333 K HA 0.115 4.414 4.320 -0.034 0.000 0.278 333 K C 1.658 178.256 176.600 -0.005 0.000 0.981 333 K CA 1.433 57.717 56.287 -0.005 0.000 1.009 333 K CB -0.835 31.664 32.500 -0.001 0.000 0.895 333 K HN 0.890 nan 8.250 nan 0.000 0.493 334 G N 1.277 110.073 108.800 -0.006 0.000 2.217 334 G HA2 -0.249 3.691 3.960 -0.034 0.000 0.246 334 G HA3 -0.249 3.691 3.960 -0.034 0.000 0.246 334 G C 0.046 174.946 174.900 -0.000 0.000 0.990 334 G CA -0.063 45.035 45.100 -0.003 0.000 0.627 334 G HN 0.414 nan 8.290 nan 0.000 0.522 335 L N 1.928 123.150 121.223 -0.001 0.000 2.325 335 L HA 0.648 4.968 4.340 -0.034 0.000 0.279 335 L C 0.928 177.804 176.870 0.009 0.000 1.054 335 L CA -0.248 54.595 54.840 0.005 0.000 0.804 335 L CB 1.793 43.853 42.059 0.001 0.000 1.200 335 L HN 0.393 nan 8.230 nan 0.000 0.436 336 S N 0.892 116.607 115.700 0.026 0.000 2.608 336 S HA 0.571 5.020 4.470 -0.034 0.000 0.291 336 S C 0.551 175.200 174.600 0.082 0.000 1.146 336 S CA -0.208 58.017 58.200 0.042 0.000 1.043 336 S CB 1.983 65.210 63.200 0.044 0.000 1.037 336 S HN 0.686 nan 8.310 nan 0.000 0.520 337 A N 1.187 124.071 122.820 0.108 0.000 1.975 337 A HA 0.142 4.441 4.320 -0.034 0.000 0.215 337 A C 1.926 179.687 177.584 0.295 0.000 1.170 337 A CA 0.919 53.091 52.037 0.225 0.000 0.656 337 A CB -0.963 18.175 19.000 0.230 0.000 0.821 337 A HN 0.856 nan 8.150 nan 0.000 0.449 338 E N 0.056 120.355 120.200 0.166 0.000 2.118 338 E HA -0.093 4.237 4.350 -0.034 0.000 0.195 338 E C 1.984 178.703 176.600 0.198 0.000 0.992 338 E CA 1.376 57.858 56.400 0.138 0.000 0.804 338 E CB -0.454 29.281 29.700 0.058 0.000 0.741 338 E HN 0.525 nan 8.360 nan 0.000 0.458 339 G N 0.480 109.376 108.800 0.160 0.000 2.394 339 G HA2 -0.192 3.747 3.960 -0.034 0.000 0.215 339 G HA3 -0.192 3.747 3.960 -0.034 0.000 0.215 339 G C 1.422 176.430 174.900 0.180 0.000 1.165 339 G CA 0.353 45.536 45.100 0.138 0.000 0.784 339 G HN 0.244 nan 8.290 nan 0.000 0.535 340 L N -0.108 121.256 121.223 0.236 0.000 2.046 340 L HA 0.008 4.327 4.340 -0.034 0.000 0.208 340 L C 2.504 179.643 176.870 0.448 0.000 1.077 340 L CA 1.731 56.744 54.840 0.289 0.000 0.747 340 L CB -0.822 41.391 42.059 0.256 0.000 0.896 340 L HN 0.263 nan 8.230 nan 0.000 0.432 341 F N 1.251 121.415 119.950 0.356 0.000 2.069 341 F HA -0.255 4.251 4.527 -0.035 0.000 0.298 341 F C 2.729 178.520 175.800 -0.017 0.000 1.113 341 F CA 1.823 59.798 58.000 -0.041 0.000 1.214 341 F CB -0.225 38.611 39.000 -0.275 0.000 0.978 341 F HN 0.022 nan 8.300 nan 0.000 0.474 342 R N -0.529 120.032 120.500 0.101 0.000 2.189 342 R HA -0.112 4.208 4.340 -0.034 0.000 0.218 342 R C 2.260 178.541 176.300 -0.033 0.000 1.074 342 R CA 1.053 57.151 56.100 -0.003 0.000 0.991 342 R CB -0.283 30.074 30.300 0.095 0.000 0.883 342 R HN 0.213 nan 8.270 nan 0.000 0.457 343 R N 1.014 121.529 120.500 0.026 0.000 2.073 343 R HA -0.004 4.315 4.340 -0.034 0.000 0.229 343 R C 2.021 178.325 176.300 0.008 0.000 1.120 343 R CA 1.497 57.614 56.100 0.029 0.000 0.967 343 R CB -0.313 30.025 30.300 0.064 0.000 0.862 343 R HN 0.153 nan 8.270 nan 0.000 0.436 344 A N 0.827 123.657 122.820 0.018 0.000 1.877 344 A HA -0.099 4.200 4.320 -0.034 0.000 0.216 344 A C 2.193 179.722 177.584 -0.092 0.000 1.186 344 A CA 1.467 53.517 52.037 0.022 0.000 0.620 344 A CB -0.742 18.364 19.000 0.176 0.000 0.822 344 A HN 0.361 nan 8.150 nan 0.000 0.443 345 L N -0.904 120.168 121.223 -0.252 0.000 2.127 345 L HA -0.219 4.101 4.340 -0.034 0.000 0.211 345 L C 2.562 179.366 176.870 -0.109 0.000 1.089 345 L CA 1.637 56.336 54.840 -0.235 0.000 0.757 345 L CB -0.432 41.435 42.059 -0.320 0.000 0.899 345 L HN 0.378 nan 8.230 nan 0.000 0.434 346 E N -0.050 120.105 120.200 -0.075 0.000 2.204 346 E HA -0.159 4.170 4.350 -0.034 0.000 0.194 346 E C 1.707 178.294 176.600 -0.022 0.000 0.989 346 E CA 0.771 57.149 56.400 -0.037 0.000 0.824 346 E CB 0.150 29.839 29.700 -0.020 0.000 0.756 346 E HN 0.297 nan 8.360 nan 0.000 0.477 347 E N -0.034 120.155 120.200 -0.017 0.000 2.474 347 E HA 0.075 4.405 4.350 -0.034 0.000 0.195 347 E C -0.421 176.179 176.600 0.000 0.000 1.039 347 E CA -0.012 56.389 56.400 0.001 0.000 0.881 347 E CB -0.065 29.647 29.700 0.020 0.000 0.970 347 E HN 0.224 nan 8.360 nan 0.000 0.486 348 N N -0.181 118.506 118.700 -0.022 0.000 2.780 348 N HA -0.160 4.560 4.740 -0.034 0.000 0.247 348 N C -1.007 174.495 175.510 -0.013 0.000 1.076 348 N CA 0.665 53.699 53.050 -0.027 0.000 0.688 348 N CB -1.074 37.403 38.487 -0.018 0.000 0.957 348 N HN 0.073 nan 8.380 nan 0.000 0.551 349 V N -1.073 118.840 119.914 -0.002 0.000 3.007 349 V HA 0.954 5.053 4.120 -0.034 0.000 0.311 349 V C -1.180 174.943 176.094 0.048 0.000 1.120 349 V CA 0.063 62.406 62.300 0.071 0.000 0.980 349 V CB 2.185 34.127 31.823 0.199 0.000 1.033 349 V HN 0.310 nan 8.190 nan 0.000 0.429 350 A N 4.119 127.030 122.820 0.151 0.000 2.556 350 A HA 1.054 5.353 4.320 -0.034 0.000 0.294 350 A C -1.275 176.574 177.584 0.442 0.000 1.091 350 A CA -0.308 51.790 52.037 0.102 0.000 0.704 350 A CB 1.797 20.797 19.000 0.001 0.000 1.300 350 A HN 1.859 nan 8.150 nan 0.000 0.406 351 F N -1.572 118.601 119.950 0.371 0.000 3.090 351 F HA 0.786 5.293 4.527 -0.034 0.000 0.324 351 F C -1.373 174.678 175.800 0.418 0.000 1.189 351 F CA -1.295 56.935 58.000 0.383 0.000 0.907 351 F CB 0.979 40.149 39.000 0.283 0.000 1.445 351 F HN 0.353 nan 8.300 nan 0.000 0.500 352 V N 1.914 122.140 119.914 0.519 0.000 2.378 352 V HA 0.469 4.568 4.120 -0.034 0.000 0.288 352 V C -2.372 173.987 176.094 0.443 0.000 1.016 352 V CA -2.022 60.480 62.300 0.337 0.000 0.840 352 V CB 1.314 33.407 31.823 0.450 0.000 0.994 352 V HN 0.534 nan 8.190 nan 0.000 0.431 353 P HA 0.073 nan 4.420 nan 0.000 0.269 353 P C 1.058 178.578 177.300 0.366 0.000 1.217 353 P CA 0.364 63.635 63.100 0.286 0.000 0.783 353 P CB 0.735 32.475 31.700 0.067 0.000 0.898 354 G N 1.707 110.695 108.800 0.313 0.000 2.421 354 G HA2 -0.173 3.766 3.960 -0.034 0.000 0.217 354 G HA3 -0.173 3.766 3.960 -0.034 0.000 0.217 354 G C 1.730 177.071 174.900 0.734 0.000 1.143 354 G CA 0.807 46.249 45.100 0.571 0.000 0.784 354 G HN 0.642 nan 8.290 nan 0.000 0.541 355 G N 2.315 111.349 108.800 0.390 0.000 2.783 355 G HA2 -0.311 3.628 3.960 -0.034 0.000 0.225 355 G HA3 -0.311 3.628 3.960 -0.034 0.000 0.225 355 G C 0.422 175.484 174.900 0.270 0.000 1.191 355 G CA 1.519 46.784 45.100 0.274 0.000 0.774 355 G HN 0.519 nan 8.290 nan 0.000 0.632 356 P HA -0.015 nan 4.420 nan 0.000 0.231 356 P C 0.822 177.963 177.300 -0.266 0.000 1.158 356 P CA 0.722 63.728 63.100 -0.157 0.000 0.763 356 P CB -0.247 31.254 31.700 -0.331 0.000 0.805 357 F N -1.858 118.158 119.950 0.110 0.000 2.765 357 F HA 0.227 4.733 4.527 -0.034 0.000 0.302 357 F C 0.950 176.603 175.800 -0.245 0.000 1.111 357 F CA -0.050 57.911 58.000 -0.065 0.000 1.359 357 F CB -0.431 38.534 39.000 -0.059 0.000 1.097 357 F HN -0.262 nan 8.300 nan 0.000 0.577 358 F N 0.006 120.012 119.950 0.092 0.000 2.313 358 F HA 0.452 4.958 4.527 -0.034 0.000 0.369 358 F C 1.325 177.071 175.800 -0.090 0.000 1.109 358 F CA -0.847 57.166 58.000 0.021 0.000 1.132 358 F CB 0.783 39.823 39.000 0.067 0.000 1.291 358 F HN -0.028 nan 8.300 nan 0.000 0.496 359 A N 3.323 126.067 122.820 -0.126 0.000 1.915 359 A HA -0.311 3.989 4.320 -0.034 0.000 0.220 359 A C 1.589 179.100 177.584 -0.122 0.000 1.198 359 A CA 2.383 54.208 52.037 -0.353 0.000 0.647 359 A CB -0.670 17.912 19.000 -0.698 0.000 0.825 359 A HN 0.846 nan 8.150 nan 0.000 0.456 360 N N -1.128 117.597 118.700 0.042 0.000 2.251 360 N HA 0.422 5.141 4.740 -0.034 0.000 0.217 360 N C 0.324 175.893 175.510 0.100 0.000 1.124 360 N CA 0.298 53.406 53.050 0.097 0.000 0.843 360 N CB 0.565 39.125 38.487 0.122 0.000 1.024 360 N HN 0.777 nan 8.380 nan 0.000 0.501 361 G N -0.524 108.357 108.800 0.134 0.000 2.705 361 G HA2 0.277 4.217 3.960 -0.034 0.000 0.686 361 G HA3 0.277 4.217 3.960 -0.034 0.000 0.686 361 G C -0.087 174.812 174.900 -0.001 0.000 1.285 361 G CA -0.769 44.384 45.100 0.089 0.000 0.800 361 G HN 0.580 nan 8.290 nan 0.000 0.611 362 G N -1.109 107.562 108.800 -0.215 0.000 2.332 362 G HA2 0.604 4.543 3.960 -0.034 0.000 0.265 362 G HA3 0.604 4.543 3.960 -0.034 0.000 0.265 362 G C 1.493 175.842 174.900 -0.918 0.000 1.329 362 G CA 1.223 45.927 45.100 -0.661 0.000 0.949 362 G HN 2.849 nan 8.290 nan 0.000 0.476 363 G N 0.458 108.465 108.800 -1.321 0.000 2.402 363 G HA2 -0.164 3.775 3.960 -0.034 0.000 0.300 363 G HA3 -0.164 3.775 3.960 -0.034 0.000 0.300 363 G C 1.128 175.939 174.900 -0.147 0.000 0.987 363 G CA 1.787 46.569 45.100 -0.530 0.000 0.881 363 G HN 1.588 nan 8.290 nan 0.000 0.512 364 E N 0.591 120.694 120.200 -0.161 0.000 2.267 364 E HA -0.204 4.126 4.350 -0.034 0.000 0.197 364 E C 1.628 178.214 176.600 -0.024 0.000 0.998 364 E CA 1.436 57.799 56.400 -0.062 0.000 0.830 364 E CB -0.365 29.299 29.700 -0.060 0.000 0.751 364 E HN 0.798 nan 8.360 nan 0.000 0.491 365 N N 1.116 119.794 118.700 -0.037 0.000 2.203 365 N HA -0.028 4.691 4.740 -0.034 0.000 0.207 365 N C 0.151 175.614 175.510 -0.079 0.000 1.130 365 N CA 0.292 53.321 53.050 -0.034 0.000 0.861 365 N CB 0.295 38.765 38.487 -0.029 0.000 1.005 365 N HN 0.143 nan 8.380 nan 0.000 0.507 366 T N -0.328 114.168 114.554 -0.096 0.000 2.948 366 T HA 0.733 5.063 4.350 -0.034 0.000 0.285 366 T C -0.190 174.295 174.700 -0.358 0.000 1.019 366 T CA -0.723 61.186 62.100 -0.317 0.000 1.013 366 T CB 1.857 70.514 68.868 -0.351 0.000 1.117 366 T HN 0.141 nan 8.240 nan 0.000 0.533 367 L N -1.940 118.857 121.223 -0.711 0.000 2.653 367 L HA 0.642 4.961 4.340 -0.034 0.000 0.257 367 L C -1.092 175.463 176.870 -0.524 0.000 0.969 367 L CA -1.048 53.569 54.840 -0.372 0.000 0.869 367 L CB 1.365 43.362 42.059 -0.104 0.000 1.439 367 L HN 1.018 nan 8.230 nan 0.000 0.414 368 R N 1.204 121.646 120.500 -0.097 0.000 2.540 368 R HA 0.912 5.231 4.340 -0.034 0.000 0.287 368 R C -1.482 174.937 176.300 0.199 0.000 0.980 368 R CA -0.732 55.382 56.100 0.023 0.000 0.966 368 R CB 1.615 31.877 30.300 -0.064 0.000 1.106 368 R HN 0.813 nan 8.270 nan 0.000 0.480 369 L N 1.634 122.993 121.223 0.226 0.000 2.410 369 L HA 0.400 4.720 4.340 -0.034 0.000 0.270 369 L C -0.511 176.590 176.870 0.386 0.000 0.983 369 L CA -0.673 54.330 54.840 0.272 0.000 0.822 369 L CB 2.186 44.259 42.059 0.022 0.000 1.285 369 L HN 0.564 nan 8.230 nan 0.000 0.409 370 S N 0.942 116.894 115.700 0.420 0.000 2.503 370 S HA 0.584 5.033 4.470 -0.034 0.000 0.301 370 S C -0.459 174.296 174.600 0.258 0.000 1.087 370 S CA -0.386 57.916 58.200 0.171 0.000 1.042 370 S CB 0.965 64.277 63.200 0.186 0.000 1.043 370 S HN 0.533 nan 8.310 nan 0.000 0.489 371 Y N 1.769 122.201 120.300 0.220 0.000 2.707 371 Y HA 0.652 5.182 4.550 -0.034 0.000 0.249 371 Y C 0.974 176.963 175.900 0.148 0.000 1.166 371 Y CA -0.216 58.024 58.100 0.234 0.000 1.184 371 Y CB -0.575 37.997 38.460 0.187 0.000 1.240 371 Y HN 0.540 nan 8.280 nan 0.000 0.547 372 A N -0.179 122.677 122.820 0.060 0.000 2.132 372 A HA 0.064 4.363 4.320 -0.034 0.000 0.213 372 A C 1.839 179.484 177.584 0.101 0.000 1.154 372 A CA 1.487 53.639 52.037 0.191 0.000 0.753 372 A CB -0.447 18.701 19.000 0.247 0.000 0.826 372 A HN 0.382 nan 8.150 nan 0.000 0.469 373 T N -0.412 114.182 114.554 0.067 0.000 3.022 373 T HA 0.386 4.716 4.350 -0.034 0.000 0.250 373 T C 0.520 175.213 174.700 -0.012 0.000 1.060 373 T CA -0.004 62.105 62.100 0.014 0.000 1.013 373 T CB -0.245 68.636 68.868 0.022 0.000 0.982 373 T HN 0.240 nan 8.240 nan 0.000 0.508 374 L N 0.781 122.011 121.223 0.012 0.000 2.416 374 L HA 0.500 4.820 4.340 -0.034 0.000 0.263 374 L C 0.035 176.903 176.870 -0.003 0.000 1.065 374 L CA -1.173 53.657 54.840 -0.016 0.000 0.798 374 L CB 0.698 42.730 42.059 -0.046 0.000 1.267 374 L HN -0.008 nan 8.230 nan 0.000 0.467 375 D N -0.532 119.858 120.400 -0.016 0.000 2.348 375 D HA 0.191 4.811 4.640 -0.034 0.000 0.249 375 D C 0.850 177.150 176.300 -0.000 0.000 1.110 375 D CA -0.323 53.666 54.000 -0.019 0.000 0.967 375 D CB 0.935 41.720 40.800 -0.025 0.000 1.139 375 D HN 0.304 nan 8.370 nan 0.000 0.466 376 R N 0.437 120.928 120.500 -0.015 0.000 2.328 376 R HA -0.067 4.253 4.340 -0.034 0.000 0.207 376 R C 1.114 177.416 176.300 0.004 0.000 1.056 376 R CA 0.637 56.730 56.100 -0.013 0.000 1.016 376 R CB 0.325 30.606 30.300 -0.032 0.000 0.872 376 R HN 0.336 nan 8.270 nan 0.000 0.471 377 E N -0.170 120.032 120.200 0.003 0.000 2.206 377 E HA 0.038 4.367 4.350 -0.034 0.000 0.195 377 E C 1.944 178.555 176.600 0.019 0.000 0.935 377 E CA 0.728 57.133 56.400 0.008 0.000 0.875 377 E CB 0.055 29.753 29.700 -0.003 0.000 0.841 377 E HN 0.308 nan 8.360 nan 0.000 0.477 378 G N 2.261 111.066 108.800 0.008 0.000 2.421 378 G HA2 -0.192 3.748 3.960 -0.034 0.000 0.216 378 G HA3 -0.192 3.748 3.960 -0.034 0.000 0.216 378 G C 1.651 176.585 174.900 0.057 0.000 1.171 378 G CA 0.643 45.739 45.100 -0.006 0.000 0.775 378 G HN 0.158 nan 8.290 nan 0.000 0.543 379 I N 2.041 122.674 120.570 0.105 0.000 2.068 379 I HA -0.300 3.849 4.170 -0.034 0.000 0.238 379 I C 3.322 179.574 176.117 0.226 0.000 1.046 379 I CA 1.789 63.235 61.300 0.244 0.000 1.306 379 I CB -1.392 36.695 38.000 0.145 0.000 1.023 379 I HN 0.287 nan 8.210 nan 0.000 0.399 380 A N -0.085 122.801 122.820 0.110 0.000 1.883 380 A HA -0.238 4.061 4.320 -0.034 0.000 0.217 380 A C 2.276 179.912 177.584 0.087 0.000 1.186 380 A CA 1.838 53.921 52.037 0.076 0.000 0.624 380 A CB -0.648 18.377 19.000 0.041 0.000 0.822 380 A HN 0.441 nan 8.150 nan 0.000 0.444 381 E N -0.181 120.067 120.200 0.079 0.000 2.153 381 E HA -0.116 4.214 4.350 -0.034 0.000 0.194 381 E C 2.094 178.762 176.600 0.114 0.000 0.988 381 E CA 1.134 57.574 56.400 0.067 0.000 0.811 381 E CB -0.572 29.150 29.700 0.035 0.000 0.746 381 E HN 0.534 nan 8.360 nan 0.000 0.466 382 G N 0.291 109.215 108.800 0.206 0.000 2.404 382 G HA2 -0.178 3.761 3.960 -0.034 0.000 0.214 382 G HA3 -0.178 3.761 3.960 -0.034 0.000 0.214 382 G C 1.797 176.933 174.900 0.394 0.000 1.189 382 G CA 0.816 46.152 45.100 0.394 0.000 0.789 382 G HN 0.225 nan 8.290 nan 0.000 0.533 383 V N 0.786 120.855 119.914 0.257 0.000 2.469 383 V HA -0.193 3.906 4.120 -0.034 0.000 0.251 383 V C 2.908 179.012 176.094 0.016 0.000 1.064 383 V CA 1.951 64.258 62.300 0.012 0.000 1.066 383 V CB -0.515 31.268 31.823 -0.066 0.000 0.667 383 V HN 0.299 nan 8.190 nan 0.000 0.461 384 R N -0.111 120.418 120.500 0.049 0.000 2.083 384 R HA -0.151 4.168 4.340 -0.034 0.000 0.237 384 R C 2.588 178.908 176.300 0.034 0.000 1.137 384 R CA 1.790 57.908 56.100 0.030 0.000 0.951 384 R CB -0.344 29.976 30.300 0.034 0.000 0.851 384 R HN 0.493 nan 8.270 nan 0.000 0.434 385 R N 0.446 120.984 120.500 0.064 0.000 2.075 385 R HA -0.065 4.254 4.340 -0.034 0.000 0.232 385 R C 2.421 178.759 176.300 0.063 0.000 1.126 385 R CA 0.942 57.080 56.100 0.064 0.000 0.963 385 R CB -0.432 29.917 30.300 0.082 0.000 0.858 385 R HN 0.246 nan 8.270 nan 0.000 0.435 386 L N 0.326 121.596 121.223 0.078 0.000 1.961 386 L HA -0.111 4.209 4.340 -0.034 0.000 0.210 386 L C 2.266 179.127 176.870 -0.015 0.000 1.072 386 L CA 2.025 56.888 54.840 0.039 0.000 0.749 386 L CB -0.998 41.041 42.059 -0.034 0.000 0.889 386 L HN 0.350 nan 8.230 nan 0.000 0.432 387 G N -0.842 107.932 108.800 -0.042 0.000 2.499 387 G HA2 -0.304 3.635 3.960 -0.034 0.000 0.221 387 G HA3 -0.304 3.635 3.960 -0.034 0.000 0.221 387 G C 1.716 176.607 174.900 -0.015 0.000 1.109 387 G CA 0.714 45.788 45.100 -0.043 0.000 0.749 387 G HN 0.370 nan 8.290 nan 0.000 0.568 388 R N 0.053 120.553 120.500 0.000 0.000 2.062 388 R HA 0.133 4.452 4.340 -0.034 0.000 0.226 388 R C 2.923 179.230 176.300 0.011 0.000 1.125 388 R CA 1.157 57.262 56.100 0.008 0.000 0.966 388 R CB -0.239 30.069 30.300 0.015 0.000 0.861 388 R HN 0.291 nan 8.270 nan 0.000 0.433 389 A N 0.852 123.683 122.820 0.019 0.000 1.929 389 A HA -0.116 4.184 4.320 -0.034 0.000 0.216 389 A C 1.978 179.574 177.584 0.020 0.000 1.176 389 A CA 0.738 52.791 52.037 0.027 0.000 0.628 389 A CB -0.459 18.570 19.000 0.049 0.000 0.816 389 A HN 0.317 nan 8.150 nan 0.000 0.444 390 L N -0.217 121.007 121.223 0.001 0.000 2.079 390 L HA -0.158 4.162 4.340 -0.034 0.000 0.210 390 L C 2.250 179.115 176.870 -0.007 0.000 1.081 390 L CA 2.478 57.306 54.840 -0.020 0.000 0.752 390 L CB -0.342 41.685 42.059 -0.054 0.000 0.896 390 L HN 0.358 nan 8.230 nan 0.000 0.433 391 K N -0.516 119.882 120.400 -0.002 0.000 2.167 391 K HA 0.041 4.341 4.320 -0.034 0.000 0.203 391 K C 1.912 178.516 176.600 0.007 0.000 1.052 391 K CA 1.338 57.626 56.287 0.002 0.000 0.956 391 K CB -0.748 31.754 32.500 0.002 0.000 0.735 391 K HN 0.298 nan 8.250 nan 0.000 0.451 392 G N 0.311 109.117 108.800 0.011 0.000 2.534 392 G HA2 -0.125 3.814 3.960 -0.034 0.000 0.217 392 G HA3 -0.125 3.814 3.960 -0.034 0.000 0.217 392 G C 1.293 176.203 174.900 0.017 0.000 1.128 392 G CA 0.638 45.746 45.100 0.014 0.000 0.784 392 G HN 0.334 nan 8.290 nan 0.000 0.542 393 L N 0.253 121.487 121.223 0.019 0.000 2.209 393 L HA 0.392 4.711 4.340 -0.034 0.000 0.207 393 L C 1.137 178.016 176.870 0.015 0.000 1.094 393 L CA 0.411 55.265 54.840 0.023 0.000 0.790 393 L CB -0.089 41.988 42.059 0.030 0.000 0.932 393 L HN -0.009 nan 8.230 nan 0.000 0.447 394 L N 1.718 122.946 121.223 0.009 0.000 2.515 394 L HA 0.469 4.789 4.340 -0.034 0.000 0.281 394 L C 0.094 176.969 176.870 0.007 0.000 1.131 394 L CA 0.281 55.125 54.840 0.006 0.000 0.905 394 L CB -0.909 41.151 42.059 0.003 0.000 1.246 394 L HN 0.377 nan 8.230 nan 0.000 0.463 395 A N 0.000 122.825 122.820 0.008 0.000 2.254 395 A HA 0.000 4.300 4.320 -0.034 0.000 0.244 395 A CA 0.000 52.042 52.037 0.008 0.000 0.836 395 A CB 0.000 19.005 19.000 0.009 0.000 0.831 395 A HN 0.000 nan 8.150 nan 0.000 0.486