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 1nwr_1_D DATA FIRST_RESID 22 DATA SEQUENCE YKLVcYYTSW SQYREGDGSC FPDALDRFLc THIIYSFANI SNDHIDTWEW DATA SEQUENCE NDVTLYGMLN TLKNRNPNLK TLLSVGGWNF GSQRFSKIAS NTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKQHFT TLIKEMKAEF IKEAQPGKKQ DATA SEQUENCE LLLSAALSAG KVTIDSSYDI AKISQHLDFI SIMTYDFHGA WRGTTGHHSP DATA SEQUENCE LFRGQEDASP DRFSNTDYAV GYMLRLGAPA SKLVMGIPTF GRSFTLASSE DATA SEQUENCE TGVGAPISGP GIPGRFTKEA GTLAYYEIcD FLRGATVHRI LGQQVPYATK DATA SEQUENCE GNQWVGYDDQ ESVKSKVQYL KDRQLAGAMV WALDLDDFQG SFcGQDLRFP DATA SEQUENCE LTNAIKDALA AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.890 175.900 -0.017 0.000 1.272 22 Y CA 0.000 58.096 58.100 -0.007 0.000 1.940 22 Y CB 0.000 38.455 38.460 -0.008 0.000 1.050 23 K N 1.162 121.637 120.400 0.125 0.000 2.144 23 K HA 0.593 4.913 4.320 0.000 0.000 0.270 23 K C -1.406 175.178 176.600 -0.027 0.000 1.005 23 K CA -0.708 55.560 56.287 -0.031 0.000 0.932 23 K CB 1.262 33.574 32.500 -0.313 0.000 1.021 23 K HN 0.395 nan 8.250 nan 0.000 0.462 24 L N 3.737 124.955 121.223 -0.008 0.000 2.470 24 L HA 0.224 4.564 4.340 0.000 0.000 0.253 24 L C -1.348 175.522 176.870 0.000 0.000 1.163 24 L CA -0.571 54.276 54.840 0.012 0.000 0.932 24 L CB 1.211 43.299 42.059 0.049 0.000 1.213 24 L HN 0.284 nan 8.230 nan 0.000 0.485 25 V N 2.986 122.857 119.914 -0.073 0.000 2.439 25 V HA 0.223 4.343 4.120 0.000 0.000 0.271 25 V C 0.190 176.314 176.094 0.050 0.000 1.040 25 V CA -0.135 62.133 62.300 -0.055 0.000 1.002 25 V CB 0.347 32.100 31.823 -0.117 0.000 1.000 25 V HN 0.770 nan 8.190 nan 0.000 0.477 26 c N 5.432 124.039 118.600 0.011 0.000 2.379 26 c HA 0.614 5.184 4.570 0.000 0.000 0.323 26 c C -0.209 173.837 174.090 -0.073 0.000 1.262 26 c CA -1.207 55.142 56.329 0.033 0.000 1.581 26 c CB 0.523 43.041 42.510 0.013 0.000 2.221 26 c HN 0.748 nan 8.230 nan 0.000 0.497 27 Y N 1.068 121.318 120.300 -0.083 0.000 2.334 27 Y HA 0.475 5.025 4.550 0.000 0.000 0.328 27 Y C -0.091 175.571 175.900 -0.396 0.000 1.130 27 Y CA -0.022 57.909 58.100 -0.282 0.000 1.163 27 Y CB 0.818 38.922 38.460 -0.593 0.000 1.207 27 Y HN 0.711 nan 8.280 nan 0.000 0.471 28 Y N 2.441 122.515 120.300 -0.377 0.000 2.350 28 Y HA 0.449 5.000 4.550 0.000 0.000 0.338 28 Y C -0.588 174.837 175.900 -0.790 0.000 0.961 28 Y CA -1.265 56.534 58.100 -0.502 0.000 1.100 28 Y CB 1.317 39.579 38.460 -0.330 0.000 1.179 28 Y HN 0.617 nan 8.280 nan 0.000 0.454 29 T N 1.807 115.243 114.554 -1.864 0.000 2.743 29 T HA 0.243 4.593 4.350 0.000 0.000 0.292 29 T C 1.095 174.532 174.700 -2.106 0.000 0.972 29 T CA -0.066 60.784 62.100 -2.083 0.000 0.967 29 T CB 1.143 68.428 68.868 -2.638 0.000 0.926 29 T HN 0.802 nan 8.240 nan 0.000 0.459 30 S N 2.872 117.709 115.700 -1.439 0.000 2.392 30 S HA -0.220 4.251 4.470 0.000 0.000 0.232 30 S C 1.648 175.877 174.600 -0.617 0.000 1.041 30 S CA 1.386 59.102 58.200 -0.806 0.000 1.026 30 S CB -1.153 61.861 63.200 -0.310 0.000 0.845 30 S HN 1.026 nan 8.310 nan 0.000 0.465 31 W N 2.809 123.849 121.300 -0.434 0.000 2.825 31 W HA 0.236 4.896 4.660 0.000 0.000 0.243 31 W C 1.900 178.219 176.519 -0.334 0.000 1.293 31 W CA 0.397 57.576 57.345 -0.277 0.000 1.403 31 W CB -0.959 28.505 29.460 0.007 0.000 1.134 31 W HN 0.386 nan 8.180 nan 0.000 0.666 32 S N 0.951 116.137 115.700 -0.856 0.000 2.515 32 S HA -0.268 4.202 4.470 0.000 0.000 0.231 32 S C 1.793 176.137 174.600 -0.426 0.000 0.987 32 S CA 1.054 58.891 58.200 -0.605 0.000 0.936 32 S CB -0.814 61.899 63.200 -0.812 0.000 0.766 32 S HN 0.729 nan 8.310 nan 0.000 0.528 33 Q N -0.006 119.400 119.800 -0.657 0.000 2.167 33 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 33 Q C 1.162 177.010 176.000 -0.253 0.000 0.970 33 Q CA 1.252 56.565 55.803 -0.817 0.000 0.855 33 Q CB -0.805 27.075 28.738 -1.431 0.000 0.911 33 Q HN 0.643 nan 8.270 nan 0.000 0.438 34 Y N 1.157 121.488 120.300 0.052 0.000 2.583 34 Y HA 0.186 4.736 4.550 0.000 0.000 0.293 34 Y C 0.447 176.463 175.900 0.193 0.000 1.157 34 Y CA -0.287 57.917 58.100 0.173 0.000 1.315 34 Y CB -0.139 38.442 38.460 0.202 0.000 1.021 34 Y HN -0.002 nan 8.280 nan 0.000 0.536 35 R N 1.799 122.481 120.500 0.303 0.000 2.489 35 R HA 0.056 4.396 4.340 0.000 0.000 0.287 35 R C 0.316 176.831 176.300 0.358 0.000 1.053 35 R CA -0.136 56.161 56.100 0.327 0.000 1.036 35 R CB 0.346 30.842 30.300 0.327 0.000 0.966 35 R HN 0.333 nan 8.270 nan 0.000 0.432 36 E N 1.212 121.625 120.200 0.354 0.000 2.459 36 E HA -0.058 4.292 4.350 0.000 0.000 0.264 36 E C 1.128 177.990 176.600 0.438 0.000 1.055 36 E CA 0.625 57.224 56.400 0.331 0.000 0.957 36 E CB 0.313 30.150 29.700 0.229 0.000 0.952 36 E HN 0.767 nan 8.360 nan 0.000 0.448 37 G N 3.130 112.130 108.800 0.334 0.000 2.629 37 G HA2 -0.406 3.555 3.960 0.000 0.000 0.335 37 G HA3 -0.406 3.555 3.960 0.000 0.000 0.335 37 G C 0.476 175.533 174.900 0.261 0.000 1.347 37 G CA 0.534 45.822 45.100 0.313 0.000 0.979 37 G HN 0.771 nan 8.290 nan 0.000 0.534 38 D N 1.422 121.926 120.400 0.174 0.000 2.389 38 D HA -0.037 4.603 4.640 0.000 0.000 0.221 38 D C 2.290 178.504 176.300 -0.144 0.000 0.974 38 D CA 1.454 55.428 54.000 -0.044 0.000 0.923 38 D CB -0.736 39.961 40.800 -0.171 0.000 0.892 38 D HN 0.598 nan 8.370 nan 0.000 0.518 39 G N 0.628 109.403 108.800 -0.042 0.000 2.403 39 G HA2 -0.174 3.786 3.960 0.000 0.000 0.216 39 G HA3 -0.174 3.786 3.960 0.000 0.000 0.216 39 G C 0.873 175.968 174.900 0.324 0.000 1.154 39 G CA 0.147 45.282 45.100 0.058 0.000 0.784 39 G HN 0.291 nan 8.290 nan 0.000 0.538 40 S N -0.576 115.319 115.700 0.325 0.000 2.563 40 S HA 0.174 4.644 4.470 0.000 0.000 0.294 40 S C -0.175 174.624 174.600 0.332 0.000 1.279 40 S CA -0.177 58.203 58.200 0.300 0.000 1.069 40 S CB -0.100 63.333 63.200 0.389 0.000 0.828 40 S HN 0.467 nan 8.310 nan 0.000 0.497 41 C N 7.152 126.468 119.300 0.027 0.000 2.481 41 C HA 0.804 5.264 4.460 0.000 0.000 0.324 41 C C -1.270 173.678 174.990 -0.070 0.000 1.170 41 C CA -0.835 58.117 59.018 -0.110 0.000 1.361 41 C CB -0.393 26.849 27.740 -0.829 0.000 1.977 41 C HN 0.840 nan 8.230 nan 0.000 0.459 42 F N 4.999 124.958 119.950 0.016 0.000 2.579 42 F HA 0.513 5.041 4.527 0.000 0.000 0.324 42 F C -1.525 174.095 175.800 -0.300 0.000 1.058 42 F CA -2.057 55.909 58.000 -0.055 0.000 0.944 42 F CB 1.371 40.363 39.000 -0.013 0.000 1.245 42 F HN 0.334 nan 8.300 nan 0.000 0.477 43 P HA -0.206 nan 4.420 nan 0.000 0.217 43 P C 1.018 178.219 177.300 -0.165 0.000 1.148 43 P CA 1.735 64.539 63.100 -0.493 0.000 0.834 43 P CB 0.036 31.522 31.700 -0.358 0.000 0.783 44 D N -0.720 119.661 120.400 -0.031 0.000 2.392 44 D HA -0.071 4.569 4.640 0.000 0.000 0.228 44 D C 1.123 177.457 176.300 0.058 0.000 1.003 44 D CA 0.695 54.695 54.000 0.001 0.000 0.917 44 D CB -0.436 40.366 40.800 0.004 0.000 0.890 44 D HN 0.137 nan 8.370 nan 0.000 0.532 45 A N 0.188 123.073 122.820 0.108 0.000 2.387 45 A HA 0.324 4.645 4.320 0.000 0.000 0.234 45 A C 0.787 178.565 177.584 0.322 0.000 1.253 45 A CA -0.442 51.735 52.037 0.234 0.000 0.894 45 A CB -0.043 19.168 19.000 0.352 0.000 0.963 45 A HN 0.210 nan 8.150 nan 0.000 0.508 46 L N 0.652 121.963 121.223 0.146 0.000 2.295 46 L HA 0.313 4.654 4.340 0.000 0.000 0.285 46 L C -0.449 176.377 176.870 -0.073 0.000 1.035 46 L CA -0.923 53.949 54.840 0.053 0.000 0.806 46 L CB 1.345 43.346 42.059 -0.096 0.000 1.214 46 L HN 0.152 nan 8.230 nan 0.000 0.426 47 D N 2.544 122.813 120.400 -0.219 0.000 2.363 47 D HA 0.002 4.643 4.640 0.000 0.000 0.263 47 D C 1.441 177.633 176.300 -0.181 0.000 1.258 47 D CA -0.180 53.741 54.000 -0.132 0.000 0.907 47 D CB 0.853 41.573 40.800 -0.134 0.000 1.107 47 D HN 0.519 nan 8.370 nan 0.000 0.495 48 R N 2.618 123.004 120.500 -0.190 0.000 2.200 48 R HA -0.149 4.192 4.340 0.000 0.000 0.234 48 R C 0.984 177.008 176.300 -0.460 0.000 1.127 48 R CA 1.220 57.102 56.100 -0.363 0.000 0.989 48 R CB -0.446 29.552 30.300 -0.502 0.000 0.869 48 R HN 0.354 nan 8.270 nan 0.000 0.459 49 F N 0.142 120.044 119.950 -0.079 0.000 2.698 49 F HA 0.167 4.694 4.527 0.000 0.000 0.295 49 F C 1.801 177.559 175.800 -0.069 0.000 1.124 49 F CA -0.324 57.639 58.000 -0.061 0.000 1.426 49 F CB -0.078 38.899 39.000 -0.039 0.000 1.120 49 F HN -0.053 nan 8.300 nan 0.000 0.583 50 L N -0.295 120.939 121.223 0.019 0.000 1.989 50 L HA -0.139 4.201 4.340 0.000 0.000 0.211 50 L C 0.929 177.780 176.870 -0.032 0.000 1.071 50 L CA 1.426 56.238 54.840 -0.047 0.000 0.749 50 L CB -0.349 41.568 42.059 -0.238 0.000 0.890 50 L HN 0.090 nan 8.230 nan 0.000 0.431 51 c N -2.078 116.483 118.600 -0.064 0.000 2.423 51 c HA 0.510 5.081 4.570 0.000 0.000 0.378 51 c C 1.932 176.019 174.090 -0.004 0.000 1.244 51 c CA 0.015 56.331 56.329 -0.021 0.000 1.978 51 c CB 1.280 43.770 42.510 -0.034 0.000 2.252 51 c HN 0.600 nan 8.230 nan 0.000 0.526 52 T N -2.300 112.289 114.554 0.058 0.000 3.039 52 T HA 0.130 4.480 4.350 0.000 0.000 0.250 52 T C 0.090 174.767 174.700 -0.038 0.000 1.052 52 T CA 0.847 62.982 62.100 0.058 0.000 1.125 52 T CB -0.200 68.787 68.868 0.199 0.000 0.908 52 T HN 0.760 nan 8.240 nan 0.000 0.473 53 H N -0.072 118.960 119.070 -0.065 0.000 2.667 53 H HA 0.662 5.218 4.556 0.000 0.000 0.353 53 H C -1.070 174.223 175.328 -0.058 0.000 1.072 53 H CA -1.075 54.946 56.048 -0.046 0.000 1.214 53 H CB 1.436 31.169 29.762 -0.048 0.000 1.600 53 H HN 0.214 nan 8.280 nan 0.000 0.527 54 I N 4.463 125.063 120.570 0.051 0.000 2.382 54 I HA 0.314 4.484 4.170 0.000 0.000 0.286 54 I C -0.401 175.728 176.117 0.020 0.000 1.002 54 I CA -0.456 60.846 61.300 0.004 0.000 1.135 54 I CB 1.328 39.318 38.000 -0.017 0.000 1.288 54 I HN 0.410 nan 8.210 nan 0.000 0.448 55 I N 6.178 126.678 120.570 -0.117 0.000 2.336 55 I HA 0.219 4.389 4.170 0.000 0.000 0.292 55 I C -0.643 175.456 176.117 -0.028 0.000 0.991 55 I CA -0.761 60.447 61.300 -0.154 0.000 1.227 55 I CB 1.212 38.858 38.000 -0.589 0.000 1.366 55 I HN 0.467 nan 8.210 nan 0.000 0.466 56 Y N 5.489 125.781 120.300 -0.014 0.000 2.336 56 Y HA 0.271 4.821 4.550 0.000 0.000 0.335 56 Y C 0.011 175.888 175.900 -0.039 0.000 1.046 56 Y CA 0.251 58.390 58.100 0.065 0.000 1.198 56 Y CB 1.003 39.587 38.460 0.205 0.000 1.182 56 Y HN 0.501 nan 8.280 nan 0.000 0.502 57 S N 6.347 121.753 115.700 -0.490 0.000 2.561 57 S HA 0.643 5.113 4.470 0.000 0.000 0.303 57 S C -1.421 172.851 174.600 -0.547 0.000 1.110 57 S CA -0.514 57.273 58.200 -0.688 0.000 1.034 57 S CB 0.664 63.055 63.200 -1.348 0.000 1.010 57 S HN 0.529 nan 8.310 nan 0.000 0.482 58 F N 0.858 120.854 119.950 0.077 0.000 2.640 58 F HA 0.793 5.321 4.527 0.000 0.000 0.324 58 F C 0.270 176.240 175.800 0.283 0.000 1.077 58 F CA -1.030 57.052 58.000 0.137 0.000 0.965 58 F CB 1.312 40.302 39.000 -0.016 0.000 1.351 58 F HN 0.600 nan 8.300 nan 0.000 0.487 59 A N 1.385 124.526 122.820 0.535 0.000 2.312 59 A HA 0.613 4.933 4.320 0.000 0.000 0.328 59 A C -0.586 177.326 177.584 0.547 0.000 1.158 59 A CA -0.519 51.827 52.037 0.516 0.000 0.821 59 A CB 0.928 20.120 19.000 0.319 0.000 1.170 59 A HN 0.720 nan 8.150 nan 0.000 0.490 60 N N 0.001 119.063 118.700 0.603 0.000 2.476 60 N HA 0.587 5.327 4.740 0.000 0.000 0.287 60 N C -0.889 174.796 175.510 0.292 0.000 1.262 60 N CA -0.429 52.973 53.050 0.586 0.000 0.980 60 N CB 0.514 39.201 38.487 0.334 0.000 1.163 60 N HN 0.489 nan 8.380 nan 0.000 0.592 61 I N 0.604 121.291 120.570 0.195 0.000 2.560 61 I HA 0.179 4.349 4.170 0.000 0.000 0.278 61 I C -0.893 175.183 176.117 -0.069 0.000 1.089 61 I CA -0.402 60.907 61.300 0.015 0.000 1.086 61 I CB 1.423 39.303 38.000 -0.200 0.000 1.202 61 I HN 0.216 nan 8.210 nan 0.000 0.471 62 S N 4.290 119.982 115.700 -0.013 0.000 2.509 62 S HA 0.380 4.850 4.470 0.000 0.000 0.297 62 S C 0.529 175.166 174.600 0.062 0.000 1.118 62 S CA -0.534 57.650 58.200 -0.026 0.000 1.074 62 S CB 1.201 64.383 63.200 -0.029 0.000 1.038 62 S HN 0.705 nan 8.310 nan 0.000 0.498 63 N N 2.532 121.254 118.700 0.036 0.000 2.710 63 N HA -0.171 4.569 4.740 0.000 0.000 0.249 63 N C -0.836 174.783 175.510 0.183 0.000 1.059 63 N CA 1.131 54.248 53.050 0.112 0.000 0.720 63 N CB -1.205 37.372 38.487 0.150 0.000 0.983 63 N HN 0.775 nan 8.380 nan 0.000 0.544 64 D N -2.234 118.186 120.400 0.033 0.000 2.837 64 D HA -0.213 4.427 4.640 0.000 0.000 0.230 64 D C -0.302 175.954 176.300 -0.072 0.000 1.152 64 D CA 1.291 55.263 54.000 -0.045 0.000 0.736 64 D CB -1.665 39.090 40.800 -0.074 0.000 1.084 64 D HN 0.692 nan 8.370 nan 0.000 0.429 65 H N -0.590 118.537 119.070 0.094 0.000 2.600 65 H HA 0.527 5.084 4.556 0.000 0.000 0.357 65 H C 0.251 175.645 175.328 0.110 0.000 1.106 65 H CA -0.851 55.276 56.048 0.130 0.000 1.193 65 H CB 1.574 31.383 29.762 0.078 0.000 1.594 65 H HN 0.093 nan 8.280 nan 0.000 0.526 66 I N 2.675 123.372 120.570 0.211 0.000 2.581 66 I HA 0.019 4.190 4.170 0.000 0.000 0.285 66 I C -0.518 175.362 176.117 -0.396 0.000 1.129 66 I CA 0.689 61.981 61.300 -0.013 0.000 1.397 66 I CB -0.171 37.754 38.000 -0.125 0.000 1.399 66 I HN 0.664 nan 8.210 nan 0.000 0.537 67 D N 4.617 124.890 120.400 -0.212 0.000 2.533 67 D HA 0.423 5.063 4.640 0.000 0.000 0.247 67 D C -0.452 175.907 176.300 0.097 0.000 1.056 67 D CA -0.241 53.703 54.000 -0.094 0.000 1.054 67 D CB 1.705 42.544 40.800 0.065 0.000 1.400 67 D HN 0.578 nan 8.370 nan 0.000 0.533 68 T N -1.556 113.182 114.554 0.307 0.000 2.748 68 T HA 0.041 4.392 4.350 0.000 0.000 0.304 68 T C 0.393 175.303 174.700 0.350 0.000 1.041 68 T CA -0.368 61.962 62.100 0.383 0.000 1.033 68 T CB 0.865 69.876 68.868 0.237 0.000 0.995 68 T HN 0.558 nan 8.240 nan 0.000 0.536 69 W N 0.283 121.726 121.300 0.239 0.000 3.227 69 W HA 0.339 4.999 4.660 0.000 0.000 0.246 69 W C 0.331 176.987 176.519 0.228 0.000 1.007 69 W CA 0.085 57.573 57.345 0.237 0.000 1.925 69 W CB 0.002 29.652 29.460 0.316 0.000 1.062 69 W HN 0.666 nan 8.180 nan 0.000 0.649 70 E N 1.685 122.235 120.200 0.582 0.000 2.313 70 E HA 0.033 4.383 4.350 0.000 0.000 0.272 70 E C 1.404 178.126 176.600 0.203 0.000 1.038 70 E CA -0.225 56.441 56.400 0.442 0.000 0.863 70 E CB 0.208 30.129 29.700 0.368 0.000 1.060 70 E HN 0.209 nan 8.360 nan 0.000 0.402 71 W N 4.665 126.095 121.300 0.217 0.000 2.325 71 W HA -0.212 4.449 4.660 0.001 0.000 0.299 71 W C 0.410 177.001 176.519 0.121 0.000 1.215 71 W CA 1.445 58.876 57.345 0.144 0.000 1.244 71 W CB -0.647 28.898 29.460 0.142 0.000 1.140 71 W HN 0.521 nan 8.180 nan 0.000 0.523 72 N N 0.625 118.669 118.700 -1.093 0.000 2.321 72 N HA -0.031 4.709 4.740 0.000 0.000 0.242 72 N C 0.475 175.667 175.510 -0.530 0.000 1.141 72 N CA 0.106 52.558 53.050 -0.997 0.000 0.864 72 N CB -0.605 36.823 38.487 -1.766 0.000 1.100 72 N HN -0.090 nan 8.380 nan 0.000 0.510 73 D N 0.891 121.051 120.400 -0.400 0.000 2.104 73 D HA -0.110 4.530 4.640 0.000 0.000 0.194 73 D C 1.867 177.552 176.300 -1.025 0.000 0.994 73 D CA 0.992 54.660 54.000 -0.555 0.000 0.830 73 D CB 0.116 40.623 40.800 -0.489 0.000 0.959 73 D HN 0.094 nan 8.370 nan 0.000 0.452 74 V N 0.970 120.426 119.914 -0.762 0.000 2.324 74 V HA -0.271 3.849 4.120 0.000 0.000 0.250 74 V C 2.478 178.403 176.094 -0.282 0.000 1.060 74 V CA 2.069 64.047 62.300 -0.537 0.000 1.042 74 V CB -0.971 30.729 31.823 -0.204 0.000 0.650 74 V HN 0.233 nan 8.190 nan 0.000 0.450 75 T N 0.650 115.059 114.554 -0.241 0.000 2.674 75 T HA -0.099 4.252 4.350 0.000 0.000 0.265 75 T C 1.899 176.540 174.700 -0.099 0.000 1.039 75 T CA 1.581 63.600 62.100 -0.135 0.000 1.150 75 T CB -0.340 68.451 68.868 -0.129 0.000 0.864 75 T HN 0.322 nan 8.240 nan 0.000 0.427 76 L N -0.337 120.821 121.223 -0.108 0.000 2.083 76 L HA -0.109 4.231 4.340 0.000 0.000 0.209 76 L C 2.598 179.467 176.870 -0.002 0.000 1.083 76 L CA 1.265 56.119 54.840 0.023 0.000 0.752 76 L CB -0.787 41.384 42.059 0.186 0.000 0.899 76 L HN 0.224 nan 8.230 nan 0.000 0.433 77 Y N 0.915 121.042 120.300 -0.287 0.000 2.053 77 Y HA -0.204 4.347 4.550 0.001 0.000 0.277 77 Y C 2.667 178.361 175.900 -0.343 0.000 1.159 77 Y CA 1.144 58.995 58.100 -0.415 0.000 1.125 77 Y CB -1.482 36.740 38.460 -0.395 0.000 0.969 77 Y HN 0.120 nan 8.280 nan 0.000 0.492 78 G N -0.704 108.063 108.800 -0.055 0.000 2.446 78 G HA2 -0.314 3.646 3.960 0.000 0.000 0.217 78 G HA3 -0.314 3.646 3.960 0.000 0.000 0.217 78 G C 1.876 176.717 174.900 -0.099 0.000 1.168 78 G CA 0.999 46.039 45.100 -0.099 0.000 0.771 78 G HN 0.380 nan 8.290 nan 0.000 0.551 79 M N -0.331 119.230 119.600 -0.066 0.000 2.195 79 M HA -0.071 4.409 4.480 0.000 0.000 0.260 79 M C 2.313 178.561 176.300 -0.086 0.000 1.066 79 M CA 1.341 56.607 55.300 -0.058 0.000 1.089 79 M CB -0.066 32.525 32.600 -0.015 0.000 1.377 79 M HN 0.314 nan 8.290 nan 0.000 0.411 80 L N 0.652 121.816 121.223 -0.098 0.000 2.034 80 L HA -0.108 4.232 4.340 0.000 0.000 0.203 80 L C 1.770 178.551 176.870 -0.149 0.000 1.074 80 L CA 1.850 56.620 54.840 -0.116 0.000 0.748 80 L CB -1.024 41.007 42.059 -0.046 0.000 0.905 80 L HN 0.280 nan 8.230 nan 0.000 0.439 81 N N -0.688 117.889 118.700 -0.205 0.000 2.364 81 N HA -0.148 4.592 4.740 0.000 0.000 0.183 81 N C 1.567 176.972 175.510 -0.175 0.000 1.022 81 N CA 1.547 54.460 53.050 -0.228 0.000 0.883 81 N CB -0.449 37.842 38.487 -0.328 0.000 0.965 81 N HN 0.458 nan 8.380 nan 0.000 0.438 82 T N 1.704 116.170 114.554 -0.145 0.000 2.881 82 T HA 0.012 4.362 4.350 0.000 0.000 0.270 82 T C 2.013 176.637 174.700 -0.127 0.000 1.068 82 T CA 0.422 62.451 62.100 -0.119 0.000 1.131 82 T CB -0.073 68.739 68.868 -0.093 0.000 0.871 82 T HN 0.212 nan 8.240 nan 0.000 0.479 83 L N 0.374 121.509 121.223 -0.145 0.000 2.353 83 L HA -0.033 4.307 4.340 0.000 0.000 0.220 83 L C 2.401 179.142 176.870 -0.215 0.000 1.133 83 L CA 1.086 55.819 54.840 -0.178 0.000 0.798 83 L CB -0.413 41.535 42.059 -0.184 0.000 0.922 83 L HN 0.194 nan 8.230 nan 0.000 0.445 84 K N -0.387 119.903 120.400 -0.183 0.000 2.366 84 K HA -0.027 4.293 4.320 0.000 0.000 0.198 84 K C 1.589 178.100 176.600 -0.150 0.000 1.044 84 K CA 0.254 56.434 56.287 -0.177 0.000 0.973 84 K CB -0.020 32.386 32.500 -0.157 0.000 0.767 84 K HN 0.319 nan 8.250 nan 0.000 0.475 85 N N 1.495 120.117 118.700 -0.130 0.000 2.058 85 N HA -0.145 4.595 4.740 0.000 0.000 0.191 85 N C 1.522 176.984 175.510 -0.080 0.000 1.037 85 N CA 1.342 54.336 53.050 -0.094 0.000 0.848 85 N CB -0.109 38.332 38.487 -0.077 0.000 1.021 85 N HN 0.179 nan 8.380 nan 0.000 0.422 86 R N 0.024 120.467 120.500 -0.096 0.000 2.275 86 R HA 0.107 4.447 4.340 0.000 0.000 0.199 86 R C 0.053 176.306 176.300 -0.078 0.000 0.989 86 R CA 0.198 56.272 56.100 -0.044 0.000 1.016 86 R CB 0.072 30.372 30.300 0.001 0.000 0.918 86 R HN 0.076 nan 8.270 nan 0.000 0.473 87 N N 0.046 118.622 118.700 -0.208 0.000 2.609 87 N HA 0.165 4.905 4.740 0.000 0.000 0.268 87 N C -2.443 172.974 175.510 -0.155 0.000 1.106 87 N CA -2.085 50.825 53.050 -0.235 0.000 0.823 87 N CB 1.827 39.971 38.487 -0.572 0.000 1.263 87 N HN -0.245 nan 8.380 nan 0.000 0.533 88 P HA 0.041 nan 4.420 nan 0.000 0.219 88 P C 0.425 177.675 177.300 -0.084 0.000 1.150 88 P CA 1.004 64.058 63.100 -0.076 0.000 0.814 88 P CB 0.445 32.118 31.700 -0.044 0.000 0.787 89 N N -0.851 117.805 118.700 -0.073 0.000 2.512 89 N HA -0.034 4.706 4.740 0.000 0.000 0.183 89 N C 0.365 175.798 175.510 -0.128 0.000 1.073 89 N CA 0.212 53.216 53.050 -0.076 0.000 0.911 89 N CB -0.715 37.752 38.487 -0.034 0.000 0.964 89 N HN 0.110 nan 8.380 nan 0.000 0.447 90 L N 1.309 122.439 121.223 -0.155 0.000 2.456 90 L HA 0.172 4.512 4.340 0.000 0.000 0.277 90 L C -0.385 176.366 176.870 -0.199 0.000 1.124 90 L CA -0.177 54.550 54.840 -0.188 0.000 0.880 90 L CB 0.063 41.997 42.059 -0.208 0.000 1.192 90 L HN -0.149 nan 8.230 nan 0.000 0.463 91 K N 3.022 123.250 120.400 -0.287 0.000 2.118 91 K HA 0.642 4.962 4.320 0.000 0.000 0.267 91 K C -0.382 176.141 176.600 -0.128 0.000 0.991 91 K CA -0.293 55.843 56.287 -0.252 0.000 0.916 91 K CB 1.526 33.773 32.500 -0.422 0.000 1.041 91 K HN 0.623 nan 8.250 nan 0.000 0.455 92 T N 2.418 116.966 114.554 -0.011 0.000 2.848 92 T HA 0.612 4.962 4.350 0.000 0.000 0.285 92 T C -1.198 173.648 174.700 0.244 0.000 0.995 92 T CA -0.696 61.471 62.100 0.112 0.000 0.970 92 T CB 0.699 69.613 68.868 0.076 0.000 0.976 92 T HN 0.140 nan 8.240 nan 0.000 0.441 93 L N 2.922 124.279 121.223 0.224 0.000 2.370 93 L HA 0.698 5.038 4.340 0.000 0.000 0.266 93 L C -0.881 175.916 176.870 -0.121 0.000 1.002 93 L CA -0.897 54.008 54.840 0.108 0.000 0.818 93 L CB 1.639 43.769 42.059 0.118 0.000 1.325 93 L HN 0.445 nan 8.230 nan 0.000 0.418 94 L N 1.094 122.020 121.223 -0.494 0.000 2.295 94 L HA 0.653 4.994 4.340 0.000 0.000 0.285 94 L C -0.027 176.769 176.870 -0.123 0.000 1.035 94 L CA 0.224 54.657 54.840 -0.678 0.000 0.806 94 L CB 1.626 42.908 42.059 -1.295 0.000 1.214 94 L HN 0.597 nan 8.230 nan 0.000 0.426 95 S N 4.427 120.177 115.700 0.084 0.000 2.422 95 S HA 0.521 4.992 4.470 0.000 0.000 0.298 95 S C -0.730 174.092 174.600 0.370 0.000 1.118 95 S CA -0.552 57.813 58.200 0.275 0.000 1.083 95 S CB 0.809 64.273 63.200 0.440 0.000 0.971 95 S HN 0.678 nan 8.310 nan 0.000 0.478 96 V N 6.266 126.362 119.914 0.304 0.000 2.481 96 V HA 0.864 4.984 4.120 0.000 0.000 0.286 96 V C 0.819 177.006 176.094 0.156 0.000 1.042 96 V CA 1.265 63.715 62.300 0.250 0.000 0.928 96 V CB 0.544 32.514 31.823 0.245 0.000 0.986 96 V HN 1.303 nan 8.190 nan 0.000 0.462 97 G N 4.061 112.808 108.800 -0.089 0.000 2.254 97 G HA2 0.500 4.461 3.960 0.000 0.000 0.193 97 G HA3 0.500 4.461 3.960 0.000 0.000 0.193 97 G C 0.579 175.050 174.900 -0.714 0.000 1.233 97 G CA 0.133 44.993 45.100 -0.400 0.000 1.290 97 G HN 2.582 nan 8.290 nan 0.000 0.517 98 G N -2.239 105.773 108.800 -1.312 0.000 2.663 98 G HA2 0.061 4.022 3.960 0.000 0.000 0.686 98 G HA3 0.061 4.022 3.960 0.000 0.000 0.686 98 G C 0.614 174.939 174.900 -0.958 0.000 1.288 98 G CA 0.503 44.355 45.100 -2.080 0.000 0.836 98 G HN 1.242 nan 8.290 nan 0.000 0.584 99 W N -0.106 120.886 121.300 -0.513 0.000 2.476 99 W HA -0.022 4.638 4.660 0.000 0.000 0.281 99 W C 2.226 178.673 176.519 -0.120 0.000 1.230 99 W CA 1.116 58.317 57.345 -0.239 0.000 1.287 99 W CB -0.267 29.077 29.460 -0.193 0.000 1.108 99 W HN 0.646 nan 8.180 nan 0.000 0.567 100 N N -0.004 118.736 118.700 0.066 0.000 2.521 100 N HA -0.073 4.667 4.740 0.000 0.000 0.188 100 N C 1.342 177.025 175.510 0.288 0.000 1.146 100 N CA 0.046 53.185 53.050 0.149 0.000 0.893 100 N CB -0.349 38.232 38.487 0.157 0.000 0.975 100 N HN -0.060 nan 8.380 nan 0.000 0.451 101 F N 1.223 121.197 119.950 0.039 0.000 2.187 101 F HA 0.162 4.689 4.527 0.000 0.000 0.295 101 F C 1.216 177.049 175.800 0.056 0.000 1.091 101 F CA 0.884 58.950 58.000 0.109 0.000 1.308 101 F CB 0.147 39.129 39.000 -0.031 0.000 1.030 101 F HN -0.036 nan 8.300 nan 0.000 0.487 102 G N 0.351 109.330 108.800 0.297 0.000 3.081 102 G HA2 -0.187 3.774 3.960 0.000 0.000 0.603 102 G HA3 -0.187 3.774 3.960 0.000 0.000 0.603 102 G C 0.663 175.752 174.900 0.314 0.000 1.106 102 G CA 0.201 45.422 45.100 0.201 0.000 1.001 102 G HN 0.764 nan 8.290 nan 0.000 0.445 103 S N 0.578 116.463 115.700 0.309 0.000 2.461 103 S HA -0.246 4.225 4.470 0.000 0.000 0.246 103 S C 2.047 176.847 174.600 0.334 0.000 1.007 103 S CA 1.956 60.403 58.200 0.411 0.000 0.976 103 S CB -0.066 63.414 63.200 0.467 0.000 0.763 103 S HN 0.700 nan 8.310 nan 0.000 0.508 104 Q N 1.839 121.766 119.800 0.212 0.000 1.965 104 Q HA 0.023 4.363 4.340 0.000 0.000 0.200 104 Q C 2.581 178.634 176.000 0.087 0.000 0.981 104 Q CA 1.511 57.394 55.803 0.133 0.000 0.834 104 Q CB -0.560 28.220 28.738 0.070 0.000 0.900 104 Q HN 0.681 nan 8.270 nan 0.000 0.426 105 R N -0.366 120.160 120.500 0.043 0.000 2.083 105 R HA -0.136 4.204 4.340 0.000 0.000 0.237 105 R C 2.268 178.591 176.300 0.038 0.000 1.137 105 R CA 1.234 57.309 56.100 -0.042 0.000 0.951 105 R CB -0.542 29.587 30.300 -0.284 0.000 0.851 105 R HN 0.145 nan 8.270 nan 0.000 0.434 106 F N 1.458 121.435 119.950 0.043 0.000 2.171 106 F HA -0.216 4.311 4.527 0.000 0.000 0.300 106 F C 2.755 178.090 175.800 -0.775 0.000 1.090 106 F CA 1.363 59.037 58.000 -0.543 0.000 1.293 106 F CB -0.681 37.541 39.000 -1.296 0.000 1.013 106 F HN -0.051 nan 8.300 nan 0.000 0.486 107 S N -0.159 115.488 115.700 -0.089 0.000 2.351 107 S HA -0.250 4.221 4.470 0.000 0.000 0.220 107 S C 2.207 176.807 174.600 0.000 0.000 1.035 107 S CA 1.798 60.093 58.200 0.158 0.000 1.031 107 S CB -0.300 63.079 63.200 0.299 0.000 0.928 107 S HN 0.392 nan 8.310 nan 0.000 0.433 108 K N 0.559 120.944 120.400 -0.024 0.000 2.001 108 K HA -0.126 4.194 4.320 0.000 0.000 0.214 108 K C 2.090 178.631 176.600 -0.100 0.000 1.050 108 K CA 2.062 58.311 56.287 -0.063 0.000 0.934 108 K CB -0.578 31.888 32.500 -0.056 0.000 0.718 108 K HN 0.464 nan 8.250 nan 0.000 0.443 109 I N 0.836 121.325 120.570 -0.135 0.000 2.194 109 I HA -0.318 3.852 4.170 0.000 0.000 0.246 109 I C 2.435 178.490 176.117 -0.103 0.000 1.093 109 I CA 1.451 62.651 61.300 -0.167 0.000 1.355 109 I CB -0.429 37.365 38.000 -0.344 0.000 1.046 109 I HN 0.219 nan 8.210 nan 0.000 0.413 110 A N -0.383 122.388 122.820 -0.080 0.000 2.072 110 A HA -0.040 4.280 4.320 0.000 0.000 0.216 110 A C 2.422 179.966 177.584 -0.066 0.000 1.156 110 A CA 1.156 53.217 52.037 0.040 0.000 0.701 110 A CB -0.296 18.835 19.000 0.218 0.000 0.816 110 A HN 0.349 nan 8.150 nan 0.000 0.458 111 S N 0.647 116.183 115.700 -0.272 0.000 2.335 111 S HA -0.072 4.398 4.470 0.000 0.000 0.217 111 S C 1.135 175.628 174.600 -0.178 0.000 1.032 111 S CA 0.266 58.116 58.200 -0.583 0.000 0.985 111 S CB -0.439 62.501 63.200 -0.434 0.000 0.896 111 S HN 0.691 nan 8.310 nan 0.000 0.445 112 N N 1.902 120.545 118.700 -0.095 0.000 2.447 112 N HA 0.019 4.760 4.740 0.000 0.000 0.263 112 N C 0.610 176.120 175.510 -0.001 0.000 1.226 112 N CA 0.448 53.479 53.050 -0.031 0.000 0.906 112 N CB 1.004 39.471 38.487 -0.033 0.000 1.060 112 N HN 0.171 nan 8.380 nan 0.000 0.468 113 T N 3.750 118.315 114.554 0.020 0.000 2.777 113 T HA -0.155 4.196 4.350 0.000 0.000 0.266 113 T C 1.596 176.308 174.700 0.020 0.000 1.040 113 T CA 1.376 63.495 62.100 0.031 0.000 1.141 113 T CB 0.043 68.932 68.868 0.035 0.000 0.868 113 T HN 0.574 nan 8.240 nan 0.000 0.444 114 Q N 1.132 120.939 119.800 0.012 0.000 2.016 114 Q HA -0.017 4.323 4.340 0.000 0.000 0.200 114 Q C 2.686 178.687 176.000 0.000 0.000 0.978 114 Q CA 1.469 57.276 55.803 0.007 0.000 0.833 114 Q CB -0.638 28.103 28.738 0.006 0.000 0.895 114 Q HN 0.370 nan 8.270 nan 0.000 0.427 115 S N 0.252 115.948 115.700 -0.006 0.000 2.374 115 S HA -0.273 4.198 4.470 0.000 0.000 0.227 115 S C 1.971 176.579 174.600 0.013 0.000 1.037 115 S CA 1.703 59.892 58.200 -0.018 0.000 1.024 115 S CB -0.178 62.999 63.200 -0.039 0.000 0.861 115 S HN 0.361 nan 8.310 nan 0.000 0.456 116 R N 0.301 120.822 120.500 0.034 0.000 2.073 116 R HA -0.118 4.222 4.340 0.000 0.000 0.234 116 R C 2.483 178.836 176.300 0.090 0.000 1.134 116 R CA 1.757 57.913 56.100 0.095 0.000 0.952 116 R CB -0.310 30.040 30.300 0.084 0.000 0.850 116 R HN 0.256 nan 8.270 nan 0.000 0.433 117 R N 0.376 120.896 120.500 0.033 0.000 2.070 117 R HA -0.064 4.276 4.340 0.000 0.000 0.233 117 R C 1.943 178.229 176.300 -0.023 0.000 1.137 117 R CA 2.576 58.677 56.100 0.002 0.000 0.945 117 R CB -1.057 29.242 30.300 -0.001 0.000 0.845 117 R HN 0.261 nan 8.270 nan 0.000 0.430 118 T N 1.164 115.694 114.554 -0.041 0.000 2.597 118 T HA -0.214 4.136 4.350 0.000 0.000 0.267 118 T C 1.473 176.068 174.700 -0.174 0.000 1.053 118 T CA 1.825 63.837 62.100 -0.146 0.000 1.165 118 T CB -0.643 68.103 68.868 -0.202 0.000 0.863 118 T HN 0.313 nan 8.240 nan 0.000 0.427 119 F N 1.793 121.607 119.950 -0.226 0.000 2.046 119 F HA -0.084 4.443 4.527 0.000 0.000 0.297 119 F C 2.112 177.862 175.800 -0.082 0.000 1.123 119 F CA 0.896 58.792 58.000 -0.173 0.000 1.199 119 F CB -0.801 38.116 39.000 -0.139 0.000 0.972 119 F HN 0.109 nan 8.300 nan 0.000 0.474 120 I N 0.413 120.805 120.570 -0.296 0.000 2.151 120 I HA -0.383 3.787 4.170 0.000 0.000 0.243 120 I C 2.606 178.600 176.117 -0.205 0.000 1.080 120 I CA 2.031 63.115 61.300 -0.361 0.000 1.339 120 I CB -0.655 37.244 38.000 -0.168 0.000 1.039 120 I HN 0.194 nan 8.210 nan 0.000 0.409 121 K N 0.885 121.218 120.400 -0.111 0.000 2.097 121 K HA -0.187 4.134 4.320 0.000 0.000 0.206 121 K C 2.243 178.843 176.600 -0.001 0.000 1.049 121 K CA 1.772 58.039 56.287 -0.033 0.000 0.933 121 K CB -0.049 32.443 32.500 -0.013 0.000 0.717 121 K HN 0.393 nan 8.250 nan 0.000 0.442 122 S N -0.420 115.263 115.700 -0.029 0.000 2.481 122 S HA -0.054 4.416 4.470 0.000 0.000 0.231 122 S C 1.848 176.495 174.600 0.079 0.000 0.996 122 S CA 0.814 59.067 58.200 0.088 0.000 0.942 122 S CB -0.146 63.148 63.200 0.157 0.000 0.768 122 S HN 0.087 nan 8.310 nan 0.000 0.520 123 V N 3.075 122.965 119.914 -0.040 0.000 2.229 123 V HA -0.027 4.094 4.120 0.000 0.000 0.243 123 V C -0.227 175.930 176.094 0.105 0.000 1.042 123 V CA 1.726 64.040 62.300 0.023 0.000 1.000 123 V CB -1.766 30.041 31.823 -0.026 0.000 0.637 123 V HN 0.348 nan 8.190 nan 0.000 0.446 124 P HA -0.146 nan 4.420 nan 0.000 0.215 124 P C -1.427 175.885 177.300 0.020 0.000 1.163 124 P CA 2.228 65.305 63.100 -0.039 0.000 0.894 124 P CB -1.266 30.433 31.700 -0.001 0.000 0.791 125 P HA -0.192 nan 4.420 nan 0.000 0.211 125 P C 1.517 178.887 177.300 0.117 0.000 1.179 125 P CA 1.115 64.261 63.100 0.078 0.000 0.910 125 P CB -0.596 31.170 31.700 0.109 0.000 0.785 126 F N -0.030 119.965 119.950 0.075 0.000 2.115 126 F HA -0.257 4.270 4.527 0.000 0.000 0.300 126 F C 2.002 177.931 175.800 0.215 0.000 1.092 126 F CA 1.588 59.696 58.000 0.179 0.000 1.245 126 F CB -0.836 38.301 39.000 0.229 0.000 0.995 126 F HN -0.227 nan 8.300 nan 0.000 0.481 127 L N -0.600 120.810 121.223 0.312 0.000 2.005 127 L HA -0.217 4.124 4.340 0.000 0.000 0.207 127 L C 2.734 179.640 176.870 0.059 0.000 1.072 127 L CA 1.098 56.079 54.840 0.235 0.000 0.744 127 L CB -0.747 41.362 42.059 0.084 0.000 0.895 127 L HN 0.008 nan 8.230 nan 0.000 0.433 128 R N -0.161 120.324 120.500 -0.026 0.000 2.091 128 R HA -0.121 4.219 4.340 0.000 0.000 0.238 128 R C 2.238 178.447 176.300 -0.151 0.000 1.136 128 R CA 1.752 57.800 56.100 -0.086 0.000 0.959 128 R CB -1.489 28.764 30.300 -0.077 0.000 0.856 128 R HN 0.340 nan 8.270 nan 0.000 0.437 129 T N 0.230 114.657 114.554 -0.210 0.000 2.759 129 T HA -0.138 4.212 4.350 0.000 0.000 0.269 129 T C 0.985 175.356 174.700 -0.548 0.000 1.042 129 T CA 1.614 63.474 62.100 -0.400 0.000 1.140 129 T CB -0.208 68.328 68.868 -0.553 0.000 0.864 129 T HN 0.520 nan 8.240 nan 0.000 0.455 130 H N -0.790 118.126 119.070 -0.257 0.000 2.520 130 H HA 0.444 5.000 4.556 0.000 0.000 0.284 130 H C 1.388 176.417 175.328 -0.498 0.000 1.037 130 H CA 0.080 55.933 56.048 -0.324 0.000 1.168 130 H CB 0.323 29.889 29.762 -0.327 0.000 1.497 130 H HN 0.385 nan 8.280 nan 0.000 0.547 131 G N 0.582 109.203 108.800 -0.299 0.000 2.212 131 G HA2 -0.282 3.678 3.960 0.000 0.000 0.255 131 G HA3 -0.282 3.678 3.960 0.000 0.000 0.255 131 G C -0.464 174.166 174.900 -0.449 0.000 1.062 131 G CA -0.315 44.576 45.100 -0.347 0.000 0.815 131 G HN 0.200 nan 8.290 nan 0.000 0.497 132 F N -0.043 119.822 119.950 -0.142 0.000 2.422 132 F HA 0.497 5.025 4.527 0.000 0.000 0.333 132 F C 1.131 176.860 175.800 -0.118 0.000 1.095 132 F CA -0.953 56.968 58.000 -0.133 0.000 1.038 132 F CB 1.557 40.477 39.000 -0.133 0.000 1.156 132 F HN 0.021 nan 8.300 nan 0.000 0.483 133 D N 0.678 121.144 120.400 0.109 0.000 2.340 133 D HA 0.322 4.963 4.640 0.000 0.000 0.220 133 D C 0.714 177.023 176.300 0.015 0.000 1.039 133 D CA 0.443 54.456 54.000 0.022 0.000 0.866 133 D CB 0.416 41.217 40.800 0.002 0.000 0.913 133 D HN 0.660 nan 8.370 nan 0.000 0.523 134 G N -0.344 108.483 108.800 0.045 0.000 2.349 134 G HA2 0.416 4.376 3.960 0.000 0.000 0.294 134 G HA3 0.416 4.376 3.960 0.000 0.000 0.294 134 G C -2.276 172.646 174.900 0.037 0.000 1.380 134 G CA -0.957 44.148 45.100 0.009 0.000 0.811 134 G HN 0.055 nan 8.290 nan 0.000 0.519 135 L N 0.236 121.549 121.223 0.150 0.000 2.346 135 L HA 0.847 5.187 4.340 0.000 0.000 0.276 135 L C -1.223 175.723 176.870 0.126 0.000 1.006 135 L CA -0.643 54.294 54.840 0.162 0.000 0.817 135 L CB 2.169 44.431 42.059 0.339 0.000 1.272 135 L HN 0.598 nan 8.230 nan 0.000 0.421 136 D N 3.739 124.204 120.400 0.108 0.000 2.408 136 D HA 0.350 4.990 4.640 0.000 0.000 0.243 136 D C -1.133 175.277 176.300 0.185 0.000 1.075 136 D CA -0.141 53.930 54.000 0.118 0.000 0.832 136 D CB 1.052 41.952 40.800 0.166 0.000 1.162 136 D HN 0.569 nan 8.370 nan 0.000 0.515 137 L N 3.407 124.719 121.223 0.148 0.000 2.295 137 L HA 0.480 4.820 4.340 0.000 0.000 0.288 137 L C 0.364 177.341 176.870 0.177 0.000 1.079 137 L CA -0.568 54.387 54.840 0.192 0.000 0.830 137 L CB 1.073 43.220 42.059 0.146 0.000 1.200 137 L HN 0.587 nan 8.230 nan 0.000 0.438 138 A N 4.584 127.496 122.820 0.153 0.000 3.213 138 A HA 0.110 4.430 4.320 0.000 0.000 0.308 138 A C -0.499 176.952 177.584 -0.222 0.000 1.177 138 A CA -0.485 51.546 52.037 -0.010 0.000 1.010 138 A CB -0.198 18.865 19.000 0.105 0.000 1.092 138 A HN 0.726 nan 8.150 nan 0.000 0.583 139 W N 2.312 123.323 121.300 -0.481 0.000 2.585 139 W HA 0.464 5.124 4.660 0.000 0.000 0.337 139 W C -1.246 174.852 176.519 -0.702 0.000 1.226 139 W CA -0.798 56.061 57.345 -0.810 0.000 1.463 139 W CB 0.030 28.872 29.460 -1.031 0.000 1.458 139 W HN 0.340 nan 8.180 nan 0.000 0.458 140 L N 9.001 129.983 121.223 -0.401 0.000 2.356 140 L HA 0.332 4.672 4.340 0.000 0.000 0.264 140 L C -1.112 175.583 176.870 -0.291 0.000 1.029 140 L CA -0.663 53.566 54.840 -1.017 0.000 0.897 140 L CB -0.169 40.941 42.059 -1.582 0.000 1.256 140 L HN 0.177 nan 8.230 nan 0.000 0.444 141 Y N 1.149 121.430 120.300 -0.031 0.000 2.588 141 Y HA 0.541 5.092 4.550 0.000 0.000 0.343 141 Y C -2.423 173.144 175.900 -0.555 0.000 1.065 141 Y CA -2.855 55.065 58.100 -0.300 0.000 1.038 141 Y CB 1.498 39.772 38.460 -0.310 0.000 1.297 141 Y HN 0.280 nan 8.280 nan 0.000 0.467 142 P HA 0.136 nan 4.420 nan 0.000 0.267 142 P C 0.027 177.013 177.300 -0.523 0.000 1.200 142 P CA 0.094 62.424 63.100 -1.283 0.000 0.772 142 P CB 0.617 31.307 31.700 -1.683 0.000 0.855 143 G N 1.371 110.017 108.800 -0.257 0.000 2.557 143 G HA2 0.179 4.139 3.960 0.000 0.000 0.292 143 G HA3 0.179 4.139 3.960 0.000 0.000 0.292 143 G C 0.918 175.714 174.900 -0.173 0.000 1.237 143 G CA -0.612 44.403 45.100 -0.142 0.000 0.978 143 G HN 0.554 nan 8.290 nan 0.000 0.498 144 R N -0.753 119.670 120.500 -0.129 0.000 2.127 144 R HA -0.048 4.292 4.340 0.000 0.000 0.238 144 R C 1.727 177.981 176.300 -0.078 0.000 1.134 144 R CA 1.167 57.195 56.100 -0.120 0.000 0.975 144 R CB -0.161 30.085 30.300 -0.090 0.000 0.865 144 R HN 0.444 nan 8.270 nan 0.000 0.447 145 R N 0.290 120.774 120.500 -0.028 0.000 2.299 145 R HA 0.020 4.361 4.340 0.000 0.000 0.197 145 R C 0.373 176.719 176.300 0.076 0.000 0.971 145 R CA 0.678 56.792 56.100 0.025 0.000 1.030 145 R CB 0.195 30.538 30.300 0.072 0.000 0.932 145 R HN 0.393 nan 8.270 nan 0.000 0.477 146 D N 0.568 120.991 120.400 0.038 0.000 2.349 146 D HA -0.015 4.625 4.640 0.000 0.000 0.214 146 D C 1.461 177.749 176.300 -0.020 0.000 1.063 146 D CA 0.186 54.249 54.000 0.106 0.000 0.847 146 D CB 0.425 41.209 40.800 -0.027 0.000 0.933 146 D HN 0.086 nan 8.370 nan 0.000 0.513 147 K N 1.044 121.393 120.400 -0.085 0.000 2.059 147 K HA -0.263 4.057 4.320 0.000 0.000 0.212 147 K C 1.883 178.505 176.600 0.036 0.000 1.050 147 K CA 1.501 57.760 56.287 -0.046 0.000 0.927 147 K CB 0.254 32.716 32.500 -0.063 0.000 0.714 147 K HN -0.161 nan 8.250 nan 0.000 0.447 148 Q N -0.322 119.450 119.800 -0.047 0.000 2.046 148 Q HA -0.114 4.226 4.340 0.000 0.000 0.200 148 Q C 2.127 178.136 176.000 0.016 0.000 0.975 148 Q CA 1.731 57.496 55.803 -0.063 0.000 0.836 148 Q CB -0.465 28.164 28.738 -0.183 0.000 0.896 148 Q HN 0.500 nan 8.270 nan 0.000 0.428 149 H N -1.040 118.115 119.070 0.142 0.000 2.353 149 H HA -0.162 4.394 4.556 0.000 0.000 0.298 149 H C 1.846 177.342 175.328 0.279 0.000 1.103 149 H CA 1.442 57.617 56.048 0.213 0.000 1.293 149 H CB -0.589 29.351 29.762 0.297 0.000 1.372 149 H HN 0.240 nan 8.280 nan 0.000 0.501 150 F N 1.755 121.819 119.950 0.190 0.000 2.171 150 F HA -0.187 4.340 4.527 0.000 0.000 0.300 150 F C 2.320 178.173 175.800 0.089 0.000 1.090 150 F CA 1.486 59.549 58.000 0.106 0.000 1.293 150 F CB -0.351 38.553 39.000 -0.161 0.000 1.013 150 F HN 0.005 nan 8.300 nan 0.000 0.486 151 T N -0.651 113.964 114.554 0.103 0.000 2.701 151 T HA -0.171 4.179 4.350 0.000 0.000 0.263 151 T C 1.912 176.590 174.700 -0.036 0.000 1.040 151 T CA 2.043 64.146 62.100 0.006 0.000 1.147 151 T CB -0.698 68.208 68.868 0.062 0.000 0.865 151 T HN 0.263 nan 8.240 nan 0.000 0.426 152 T N 2.845 117.411 114.554 0.020 0.000 2.580 152 T HA -0.124 4.227 4.350 0.000 0.000 0.265 152 T C 1.917 176.593 174.700 -0.041 0.000 1.063 152 T CA 1.377 63.478 62.100 0.003 0.000 1.170 152 T CB -0.726 68.190 68.868 0.080 0.000 0.863 152 T HN 0.141 nan 8.240 nan 0.000 0.418 153 L N 1.049 122.291 121.223 0.030 0.000 2.034 153 L HA -0.146 4.194 4.340 0.000 0.000 0.217 153 L C 2.200 178.994 176.870 -0.126 0.000 1.077 153 L CA 1.711 56.566 54.840 0.024 0.000 0.769 153 L CB -0.808 41.352 42.059 0.168 0.000 0.890 153 L HN 0.354 nan 8.230 nan 0.000 0.435 154 I N -0.916 119.505 120.570 -0.249 0.000 2.252 154 I HA -0.299 3.871 4.170 0.000 0.000 0.245 154 I C 2.594 178.530 176.117 -0.302 0.000 1.102 154 I CA 1.541 62.659 61.300 -0.304 0.000 1.385 154 I CB -0.422 37.352 38.000 -0.377 0.000 1.064 154 I HN 0.358 nan 8.210 nan 0.000 0.414 155 K N 1.299 121.489 120.400 -0.350 0.000 2.009 155 K HA -0.225 4.095 4.320 0.000 0.000 0.210 155 K C 1.940 178.275 176.600 -0.441 0.000 1.049 155 K CA 1.792 57.669 56.287 -0.683 0.000 0.929 155 K CB -0.031 32.099 32.500 -0.618 0.000 0.714 155 K HN 0.308 nan 8.250 nan 0.000 0.440 156 E N -0.014 120.020 120.200 -0.277 0.000 2.204 156 E HA -0.185 4.165 4.350 0.000 0.000 0.194 156 E C 1.872 178.324 176.600 -0.247 0.000 0.989 156 E CA 1.019 57.296 56.400 -0.206 0.000 0.824 156 E CB -0.034 29.595 29.700 -0.119 0.000 0.756 156 E HN 0.252 nan 8.360 nan 0.000 0.477 157 M N 1.138 120.544 119.600 -0.323 0.000 2.175 157 M HA -0.117 4.363 4.480 0.000 0.000 0.264 157 M C 1.957 177.797 176.300 -0.765 0.000 1.063 157 M CA 1.583 56.570 55.300 -0.522 0.000 1.119 157 M CB 0.115 32.398 32.600 -0.529 0.000 1.377 157 M HN -0.218 nan 8.290 nan 0.000 0.415 158 K N 0.142 120.225 120.400 -0.528 0.000 2.103 158 K HA 0.123 4.443 4.320 0.000 0.000 0.204 158 K C 1.764 178.248 176.600 -0.193 0.000 1.052 158 K CA 1.480 57.544 56.287 -0.372 0.000 0.945 158 K CB -0.588 31.792 32.500 -0.201 0.000 0.722 158 K HN 0.335 nan 8.250 nan 0.000 0.443 159 A N 0.903 123.605 122.820 -0.197 0.000 1.859 159 A HA -0.248 4.072 4.320 0.000 0.000 0.217 159 A C 2.171 179.731 177.584 -0.041 0.000 1.198 159 A CA 2.189 54.163 52.037 -0.105 0.000 0.629 159 A CB -0.958 17.970 19.000 -0.119 0.000 0.830 159 A HN 0.504 nan 8.150 nan 0.000 0.446 160 E N -0.794 119.371 120.200 -0.059 0.000 2.085 160 E HA -0.176 4.174 4.350 0.000 0.000 0.194 160 E C 1.626 178.357 176.600 0.217 0.000 0.994 160 E CA 1.511 57.939 56.400 0.047 0.000 0.801 160 E CB -0.414 29.302 29.700 0.026 0.000 0.743 160 E HN 0.524 nan 8.360 nan 0.000 0.453 161 F N 0.197 120.120 119.950 -0.045 0.000 2.216 161 F HA -0.062 4.465 4.527 0.000 0.000 0.300 161 F C 2.157 177.948 175.800 -0.016 0.000 1.085 161 F CA 0.643 58.626 58.000 -0.028 0.000 1.326 161 F CB -0.682 38.302 39.000 -0.027 0.000 1.027 161 F HN 0.117 nan 8.300 nan 0.000 0.497 162 I N -0.362 120.314 120.570 0.176 0.000 2.286 162 I HA -0.268 3.902 4.170 0.000 0.000 0.245 162 I C 2.541 178.698 176.117 0.067 0.000 1.104 162 I CA 1.121 62.478 61.300 0.096 0.000 1.397 162 I CB -0.416 37.618 38.000 0.058 0.000 1.072 162 I HN 0.034 nan 8.210 nan 0.000 0.417 163 K N 1.181 121.619 120.400 0.063 0.000 1.985 163 K HA -0.261 4.059 4.320 0.000 0.000 0.210 163 K C 2.151 178.776 176.600 0.042 0.000 1.047 163 K CA 1.646 57.958 56.287 0.042 0.000 0.932 163 K CB -0.237 32.284 32.500 0.035 0.000 0.716 163 K HN 0.083 nan 8.250 nan 0.000 0.439 164 E N 0.121 120.355 120.200 0.056 0.000 2.393 164 E HA -0.185 4.165 4.350 0.000 0.000 0.201 164 E C 0.814 177.422 176.600 0.012 0.000 1.025 164 E CA 1.243 57.662 56.400 0.032 0.000 0.856 164 E CB 0.089 29.807 29.700 0.030 0.000 0.771 164 E HN 0.459 nan 8.360 nan 0.000 0.526 165 A N -0.709 122.125 122.820 0.022 0.000 2.469 165 A HA 0.244 4.564 4.320 0.000 0.000 0.245 165 A C 2.046 179.638 177.584 0.014 0.000 1.221 165 A CA 0.756 52.799 52.037 0.011 0.000 0.946 165 A CB -0.069 18.939 19.000 0.014 0.000 1.049 165 A HN 0.286 nan 8.150 nan 0.000 0.529 166 Q N 1.403 121.214 119.800 0.019 0.000 2.096 166 Q HA -0.219 4.121 4.340 0.000 0.000 0.208 166 Q C 0.424 176.430 176.000 0.009 0.000 0.993 166 Q CA 2.295 58.108 55.803 0.016 0.000 0.862 166 Q CB -2.764 25.983 28.738 0.016 0.000 0.915 166 Q HN 0.687 nan 8.270 nan 0.000 0.416 167 P HA -0.029 nan 4.420 nan 0.000 0.216 167 P C 0.941 178.241 177.300 -0.000 0.000 1.150 167 P CA 2.147 65.248 63.100 0.002 0.000 0.843 167 P CB -0.097 31.602 31.700 -0.001 0.000 0.787 168 G N -1.459 107.340 108.800 -0.001 0.000 3.268 168 G HA2 -0.072 3.888 3.960 0.000 0.000 0.220 168 G HA3 -0.072 3.888 3.960 0.000 0.000 0.220 168 G C -0.137 174.759 174.900 -0.007 0.000 0.942 168 G CA -0.607 44.491 45.100 -0.003 0.000 0.918 168 G HN 0.274 nan 8.290 nan 0.000 0.658 169 K N 1.151 121.545 120.400 -0.010 0.000 2.154 169 K HA 0.411 4.731 4.320 0.000 0.000 0.264 169 K C 0.462 177.053 176.600 -0.015 0.000 1.008 169 K CA -0.559 55.718 56.287 -0.018 0.000 0.937 169 K CB 1.059 33.543 32.500 -0.027 0.000 1.002 169 K HN 0.367 nan 8.250 nan 0.000 0.469 170 K N 1.970 122.357 120.400 -0.021 0.000 2.402 170 K HA -0.016 4.305 4.320 0.000 0.000 0.285 170 K C -0.133 176.457 176.600 -0.017 0.000 1.054 170 K CA -0.230 56.049 56.287 -0.013 0.000 1.001 170 K CB 0.628 33.117 32.500 -0.018 0.000 0.946 170 K HN 0.429 nan 8.250 nan 0.000 0.473 171 Q N 3.691 123.493 119.800 0.003 0.000 2.304 171 Q HA -0.022 4.318 4.340 0.000 0.000 0.301 171 Q C -0.533 175.460 176.000 -0.012 0.000 1.063 171 Q CA -0.109 55.700 55.803 0.011 0.000 0.947 171 Q CB 0.517 29.290 28.738 0.058 0.000 1.201 171 Q HN 0.614 nan 8.270 nan 0.000 0.389 172 L N 4.540 125.699 121.223 -0.107 0.000 2.456 172 L HA 0.057 4.397 4.340 0.000 0.000 0.272 172 L C 0.031 176.905 176.870 0.006 0.000 1.189 172 L CA -0.070 54.623 54.840 -0.244 0.000 0.846 172 L CB 0.173 41.717 42.059 -0.858 0.000 1.111 172 L HN 0.571 nan 8.230 nan 0.000 0.475 173 L N 3.893 125.157 121.223 0.069 0.000 2.395 173 L HA 0.327 4.667 4.340 0.000 0.000 0.269 173 L C -0.363 176.672 176.870 0.275 0.000 1.133 173 L CA -0.390 54.565 54.840 0.192 0.000 0.812 173 L CB 1.166 43.355 42.059 0.217 0.000 1.125 173 L HN 0.386 nan 8.230 nan 0.000 0.452 174 L N 3.060 124.390 121.223 0.179 0.000 2.372 174 L HA 0.516 4.856 4.340 0.000 0.000 0.274 174 L C -0.165 176.582 176.870 -0.204 0.000 0.988 174 L CA 0.180 55.059 54.840 0.065 0.000 0.833 174 L CB 1.517 43.549 42.059 -0.044 0.000 1.236 174 L HN 0.718 nan 8.230 nan 0.000 0.410 175 S N 3.524 119.039 115.700 -0.309 0.000 2.709 175 S HA 1.040 5.510 4.470 0.000 0.000 0.302 175 S C -0.673 173.786 174.600 -0.233 0.000 1.127 175 S CA -0.272 57.574 58.200 -0.590 0.000 0.905 175 S CB 1.997 64.453 63.200 -1.241 0.000 1.151 175 S HN 1.177 nan 8.310 nan 0.000 0.510 176 A N 0.060 122.784 122.820 -0.160 0.000 2.517 176 A HA 0.833 5.153 4.320 0.000 0.000 0.297 176 A C -0.535 177.100 177.584 0.085 0.000 1.050 176 A CA -0.463 51.581 52.037 0.012 0.000 0.694 176 A CB 1.119 20.125 19.000 0.011 0.000 1.277 176 A HN 1.746 nan 8.150 nan 0.000 0.400 177 A N 2.503 125.411 122.820 0.146 0.000 2.269 177 A HA 0.672 4.993 4.320 0.000 0.000 0.302 177 A C -0.404 177.204 177.584 0.039 0.000 1.266 177 A CA -0.121 52.010 52.037 0.156 0.000 0.894 177 A CB -0.230 18.873 19.000 0.173 0.000 1.147 177 A HN 0.820 nan 8.150 nan 0.000 0.537 178 L N 1.937 123.176 121.223 0.026 0.000 2.342 178 L HA 0.483 4.823 4.340 0.000 0.000 0.271 178 L C 0.864 177.857 176.870 0.205 0.000 1.008 178 L CA -0.750 54.082 54.840 -0.013 0.000 0.818 178 L CB 1.977 43.828 42.059 -0.347 0.000 1.296 178 L HN 0.704 nan 8.230 nan 0.000 0.427 179 S N 0.813 116.799 115.700 0.476 0.000 2.568 179 S HA 0.254 4.724 4.470 0.000 0.000 0.282 179 S C 0.812 175.512 174.600 0.167 0.000 1.338 179 S CA 0.199 58.557 58.200 0.263 0.000 1.045 179 S CB 1.196 64.361 63.200 -0.059 0.000 0.873 179 S HN 0.720 nan 8.310 nan 0.000 0.516 180 A N 3.811 126.654 122.820 0.039 0.000 2.308 180 A HA 0.438 4.758 4.320 0.000 0.000 0.217 180 A C 1.032 178.801 177.584 0.307 0.000 1.216 180 A CA 0.247 52.379 52.037 0.159 0.000 0.864 180 A CB -0.447 18.611 19.000 0.096 0.000 0.902 180 A HN 0.948 nan 8.150 nan 0.000 0.499 181 G N -0.149 108.742 108.800 0.151 0.000 2.355 181 G HA2 0.320 4.281 3.960 0.000 0.000 0.276 181 G HA3 0.320 4.281 3.960 0.000 0.000 0.276 181 G C 0.687 175.645 174.900 0.098 0.000 1.198 181 G CA -0.133 45.071 45.100 0.174 0.000 0.876 181 G HN 0.357 nan 8.290 nan 0.000 0.478 182 K N 2.124 122.574 120.400 0.083 0.000 2.034 182 K HA -0.188 4.132 4.320 0.000 0.000 0.214 182 K C 2.430 178.975 176.600 -0.093 0.000 1.051 182 K CA 1.894 58.137 56.287 -0.074 0.000 0.931 182 K CB -0.191 31.971 32.500 -0.562 0.000 0.715 182 K HN 0.367 nan 8.250 nan 0.000 0.446 183 V N 0.959 120.800 119.914 -0.122 0.000 2.231 183 V HA -0.316 3.804 4.120 0.000 0.000 0.248 183 V C 2.337 178.327 176.094 -0.174 0.000 1.054 183 V CA 2.541 64.763 62.300 -0.130 0.000 1.015 183 V CB -0.994 30.762 31.823 -0.111 0.000 0.638 183 V HN 0.496 nan 8.190 nan 0.000 0.444 184 T N 0.300 114.714 114.554 -0.232 0.000 2.720 184 T HA -0.140 4.210 4.350 0.000 0.000 0.268 184 T C 1.813 176.232 174.700 -0.468 0.000 1.037 184 T CA 1.945 63.810 62.100 -0.393 0.000 1.144 184 T CB -0.363 68.198 68.868 -0.513 0.000 0.864 184 T HN 0.366 nan 8.240 nan 0.000 0.444 185 I N 1.383 121.806 120.570 -0.246 0.000 2.208 185 I HA -0.200 3.970 4.170 0.000 0.000 0.245 185 I C 2.297 178.362 176.117 -0.085 0.000 1.097 185 I CA 1.271 62.515 61.300 -0.092 0.000 1.363 185 I CB -0.441 37.687 38.000 0.213 0.000 1.051 185 I HN 0.156 nan 8.210 nan 0.000 0.413 186 D N 0.425 120.806 120.400 -0.033 0.000 2.144 186 D HA -0.131 4.509 4.640 0.000 0.000 0.200 186 D C 2.376 178.614 176.300 -0.103 0.000 0.978 186 D CA 1.881 55.868 54.000 -0.022 0.000 0.833 186 D CB -0.114 40.688 40.800 0.003 0.000 0.961 186 D HN 0.396 nan 8.370 nan 0.000 0.470 187 S N -0.936 114.656 115.700 -0.180 0.000 2.470 187 S HA 0.074 4.545 4.470 0.000 0.000 0.222 187 S C 1.904 176.342 174.600 -0.271 0.000 1.024 187 S CA 0.365 58.447 58.200 -0.196 0.000 0.931 187 S CB 0.329 63.413 63.200 -0.195 0.000 0.791 187 S HN -0.013 nan 8.310 nan 0.000 0.513 188 S N -0.160 115.267 115.700 -0.455 0.000 2.506 188 S HA 0.404 4.875 4.470 0.000 0.000 0.219 188 S C -0.687 173.652 174.600 -0.434 0.000 1.031 188 S CA -0.321 57.515 58.200 -0.606 0.000 0.911 188 S CB 0.002 62.610 63.200 -0.987 0.000 0.812 188 S HN 0.552 nan 8.310 nan 0.000 0.497 189 Y N 1.559 121.756 120.300 -0.171 0.000 2.409 189 Y HA 0.550 5.100 4.550 0.000 0.000 0.339 189 Y C -0.074 175.807 175.900 -0.030 0.000 1.033 189 Y CA -2.404 55.653 58.100 -0.072 0.000 1.094 189 Y CB 0.550 38.977 38.460 -0.055 0.000 1.210 189 Y HN -0.076 nan 8.280 nan 0.000 0.456 190 D N 3.675 124.193 120.400 0.197 0.000 2.736 190 D HA 0.170 4.811 4.640 0.000 0.000 0.293 190 D C 1.180 177.515 176.300 0.058 0.000 1.241 190 D CA 0.009 54.058 54.000 0.082 0.000 0.965 190 D CB 0.182 41.020 40.800 0.064 0.000 0.992 190 D HN 0.432 nan 8.370 nan 0.000 0.510 191 I N 1.383 121.982 120.570 0.048 0.000 2.141 191 I HA -0.392 3.778 4.170 0.000 0.000 0.243 191 I C 2.412 178.505 176.117 -0.040 0.000 1.035 191 I CA 1.474 62.771 61.300 -0.006 0.000 1.302 191 I CB -1.510 36.461 38.000 -0.048 0.000 1.006 191 I HN 0.275 nan 8.210 nan 0.000 0.413 192 A N 0.290 123.080 122.820 -0.050 0.000 1.884 192 A HA -0.293 4.027 4.320 0.000 0.000 0.219 192 A C 2.353 179.890 177.584 -0.078 0.000 1.197 192 A CA 2.489 54.488 52.037 -0.063 0.000 0.637 192 A CB -0.574 18.392 19.000 -0.057 0.000 0.827 192 A HN 0.295 nan 8.150 nan 0.000 0.450 193 K N 0.010 120.374 120.400 -0.060 0.000 1.973 193 K HA -0.053 4.268 4.320 0.000 0.000 0.210 193 K C 1.880 178.398 176.600 -0.137 0.000 1.045 193 K CA 1.578 57.815 56.287 -0.083 0.000 0.937 193 K CB -0.723 31.773 32.500 -0.005 0.000 0.721 193 K HN 0.694 nan 8.250 nan 0.000 0.438 194 I N -1.427 119.114 120.570 -0.048 0.000 2.623 194 I HA -0.214 3.956 4.170 0.000 0.000 0.261 194 I C 1.365 177.418 176.117 -0.107 0.000 1.204 194 I CA 1.508 62.776 61.300 -0.053 0.000 1.444 194 I CB -0.246 37.720 38.000 -0.058 0.000 1.094 194 I HN -0.098 nan 8.210 nan 0.000 0.451 195 S N 0.697 116.328 115.700 -0.115 0.000 2.453 195 S HA -0.082 4.388 4.470 0.000 0.000 0.231 195 S C 1.877 176.397 174.600 -0.133 0.000 1.005 195 S CA 1.011 59.152 58.200 -0.099 0.000 0.949 195 S CB -0.122 63.034 63.200 -0.073 0.000 0.774 195 S HN 0.647 nan 8.310 nan 0.000 0.510 196 Q N 0.096 119.743 119.800 -0.255 0.000 2.062 196 Q HA -0.035 4.305 4.340 0.000 0.000 0.196 196 Q C 1.721 177.568 176.000 -0.256 0.000 0.967 196 Q CA 0.993 56.616 55.803 -0.301 0.000 0.832 196 Q CB -0.213 28.243 28.738 -0.469 0.000 0.899 196 Q HN 0.611 nan 8.270 nan 0.000 0.442 197 H N 0.201 119.233 119.070 -0.064 0.000 2.436 197 H HA 0.096 4.652 4.556 0.000 0.000 0.294 197 H C 0.747 176.019 175.328 -0.093 0.000 1.048 197 H CA 0.473 56.471 56.048 -0.083 0.000 1.353 197 H CB -0.104 29.588 29.762 -0.117 0.000 1.414 197 H HN 0.130 nan 8.280 nan 0.000 0.536 198 L N 1.828 123.044 121.223 -0.013 0.000 2.397 198 L HA 0.004 4.344 4.340 0.000 0.000 0.271 198 L C 1.371 178.221 176.870 -0.033 0.000 1.148 198 L CA -0.204 54.596 54.840 -0.066 0.000 0.825 198 L CB 0.901 42.893 42.059 -0.111 0.000 1.117 198 L HN 0.039 nan 8.230 nan 0.000 0.456 199 D N 1.936 122.309 120.400 -0.045 0.000 2.183 199 D HA -0.004 4.636 4.640 0.000 0.000 0.203 199 D C -0.238 176.176 176.300 0.190 0.000 0.969 199 D CA 1.344 55.387 54.000 0.072 0.000 0.842 199 D CB 0.336 41.214 40.800 0.131 0.000 0.957 199 D HN 0.337 nan 8.370 nan 0.000 0.484 200 F N -0.457 119.507 119.950 0.024 0.000 2.725 200 F HA 0.367 4.894 4.527 0.000 0.000 0.311 200 F C -1.794 174.019 175.800 0.022 0.000 1.121 200 F CA -1.724 56.284 58.000 0.012 0.000 0.978 200 F CB 0.323 39.316 39.000 -0.011 0.000 1.274 200 F HN -0.255 nan 8.300 nan 0.000 0.440 201 I N 0.676 121.392 120.570 0.243 0.000 2.433 201 I HA 0.712 4.883 4.170 0.000 0.000 0.292 201 I C -0.811 175.470 176.117 0.274 0.000 1.001 201 I CA -0.859 60.531 61.300 0.151 0.000 1.119 201 I CB 1.975 39.997 38.000 0.037 0.000 1.289 201 I HN 0.570 nan 8.210 nan 0.000 0.438 202 S N 6.899 122.780 115.700 0.301 0.000 2.411 202 S HA 0.430 4.901 4.470 0.000 0.000 0.294 202 S C -0.165 174.558 174.600 0.206 0.000 1.115 202 S CA -0.469 57.924 58.200 0.322 0.000 1.071 202 S CB 0.687 64.173 63.200 0.477 0.000 0.967 202 S HN 0.626 nan 8.310 nan 0.000 0.488 203 I N 4.508 125.174 120.570 0.160 0.000 2.337 203 I HA 0.237 4.407 4.170 0.000 0.000 0.291 203 I C 0.070 176.203 176.117 0.027 0.000 1.046 203 I CA -0.654 60.704 61.300 0.097 0.000 1.324 203 I CB 0.471 38.537 38.000 0.109 0.000 1.409 203 I HN 0.632 nan 8.210 nan 0.000 0.494 204 M N 7.299 126.844 119.600 -0.092 0.000 3.593 204 M HA 0.034 4.515 4.480 0.000 0.000 0.204 204 M C 0.612 176.427 176.300 -0.810 0.000 1.569 204 M CA 0.073 55.060 55.300 -0.523 0.000 1.694 204 M CB -0.714 31.657 32.600 -0.381 0.000 1.149 204 M HN 0.587 nan 8.290 nan 0.000 0.552 205 T N 0.125 114.404 114.554 -0.458 0.000 4.508 205 T HA 0.268 4.619 4.350 0.000 0.000 0.232 205 T C -0.507 174.116 174.700 -0.129 0.000 1.027 205 T CA -0.279 61.726 62.100 -0.159 0.000 0.999 205 T CB -1.052 67.930 68.868 0.189 0.000 1.402 205 T HN 0.529 nan 8.240 nan 0.000 1.003 206 Y N -2.858 117.255 120.300 -0.310 0.000 2.853 206 Y HA 0.550 5.100 4.550 0.000 0.000 0.326 206 Y C -0.253 175.516 175.900 -0.218 0.000 1.384 206 Y CA -1.895 56.125 58.100 -0.133 0.000 1.077 206 Y CB -0.058 38.489 38.460 0.146 0.000 1.395 206 Y HN 0.114 nan 8.280 nan 0.000 0.451 207 D N -0.297 120.486 120.400 0.638 0.000 2.837 207 D HA -0.195 4.445 4.640 0.000 0.000 0.230 207 D C 0.113 176.536 176.300 0.206 0.000 1.152 207 D CA 1.031 55.270 54.000 0.397 0.000 0.736 207 D CB -1.170 39.807 40.800 0.295 0.000 1.084 207 D HN 0.538 nan 8.370 nan 0.000 0.429 208 F N -0.526 119.650 119.950 0.377 0.000 2.780 208 F HA 0.070 4.597 4.527 0.000 0.000 0.299 208 F C 1.270 177.255 175.800 0.308 0.000 1.146 208 F CA 0.508 58.676 58.000 0.280 0.000 1.428 208 F CB 0.202 39.331 39.000 0.215 0.000 1.115 208 F HN 0.084 nan 8.300 nan 0.000 0.583 209 H N -0.795 118.513 119.070 0.396 0.000 3.013 209 H HA 0.532 5.088 4.556 0.000 0.000 0.326 209 H C 0.119 175.603 175.328 0.260 0.000 0.973 209 H CA -0.641 55.551 56.048 0.239 0.000 1.369 209 H CB 0.713 30.612 29.762 0.229 0.000 1.598 209 H HN 0.058 nan 8.280 nan 0.000 0.518 210 G N 1.732 110.493 108.800 -0.064 0.000 2.451 210 G HA2 0.438 4.398 3.960 0.000 0.000 0.303 210 G HA3 0.438 4.398 3.960 0.000 0.000 0.303 210 G C 0.816 175.689 174.900 -0.045 0.000 1.166 210 G CA -0.176 45.005 45.100 0.135 0.000 0.884 210 G HN 0.796 nan 8.290 nan 0.000 0.514 211 A N 1.216 124.246 122.820 0.349 0.000 2.125 211 A HA -0.050 4.270 4.320 0.000 0.000 0.219 211 A C 1.860 179.462 177.584 0.029 0.000 1.156 211 A CA 1.562 53.832 52.037 0.389 0.000 0.671 211 A CB -0.686 18.559 19.000 0.409 0.000 0.794 211 A HN 0.968 nan 8.150 nan 0.000 0.459 212 W N 0.693 122.006 121.300 0.021 0.000 2.468 212 W HA -0.127 4.533 4.660 0.000 0.000 0.262 212 W C 0.904 177.365 176.519 -0.097 0.000 1.241 212 W CA 0.795 58.118 57.345 -0.037 0.000 1.232 212 W CB -0.590 28.847 29.460 -0.038 0.000 1.124 212 W HN 0.337 nan 8.180 nan 0.000 0.597 213 R N 1.131 120.977 120.500 -1.090 0.000 2.319 213 R HA 0.142 4.482 4.340 0.000 0.000 0.204 213 R C 1.912 177.908 176.300 -0.506 0.000 0.954 213 R CA 0.618 56.071 56.100 -1.079 0.000 1.066 213 R CB -0.815 28.614 30.300 -1.450 0.000 0.991 213 R HN 0.273 nan 8.270 nan 0.000 0.486 214 G N 1.931 110.534 108.800 -0.328 0.000 2.200 214 G HA2 -0.360 3.600 3.960 0.000 0.000 0.267 214 G HA3 -0.360 3.600 3.960 0.000 0.000 0.267 214 G C 0.282 175.010 174.900 -0.285 0.000 0.993 214 G CA 1.299 46.266 45.100 -0.221 0.000 0.701 214 G HN 0.537 nan 8.290 nan 0.000 0.524 215 T N -3.074 111.241 114.554 -0.399 0.000 2.883 215 T HA 0.684 5.034 4.350 0.000 0.000 0.301 215 T C -0.001 174.235 174.700 -0.772 0.000 1.158 215 T CA 0.269 62.090 62.100 -0.465 0.000 1.007 215 T CB 1.705 70.367 68.868 -0.343 0.000 1.186 215 T HN 1.181 nan 8.240 nan 0.000 0.499 216 T N -0.787 113.148 114.554 -1.032 0.000 2.926 216 T HA 0.597 4.947 4.350 0.000 0.000 0.307 216 T C 0.541 174.404 174.700 -1.396 0.000 1.059 216 T CA -0.147 60.951 62.100 -1.670 0.000 1.122 216 T CB 0.418 67.967 68.868 -2.198 0.000 0.972 216 T HN 1.525 nan 8.240 nan 0.000 0.545 217 G N 0.898 108.889 108.800 -1.348 0.000 2.716 217 G HA2 0.337 4.297 3.960 0.000 0.000 0.299 217 G HA3 0.337 4.297 3.960 0.000 0.000 0.299 217 G C -1.288 173.520 174.900 -0.154 0.000 1.450 217 G CA -0.860 43.572 45.100 -1.114 0.000 0.968 217 G HN 0.986 nan 8.290 nan 0.000 0.566 218 H N 1.238 120.370 119.070 0.104 0.000 2.929 218 H HA 0.061 4.617 4.556 0.000 0.000 0.317 218 H C 1.538 177.030 175.328 0.273 0.000 1.031 218 H CA 0.757 56.991 56.048 0.310 0.000 1.466 218 H CB 1.018 30.902 29.762 0.203 0.000 1.482 218 H HN 0.836 nan 8.280 nan 0.000 0.561 219 H N 1.406 120.651 119.070 0.292 0.000 2.551 219 H HA 0.117 4.673 4.556 0.000 0.000 0.266 219 H C 0.257 175.901 175.328 0.528 0.000 0.977 219 H CA 0.466 56.757 56.048 0.405 0.000 1.163 219 H CB 0.575 30.497 29.762 0.268 0.000 1.381 219 H HN 0.241 nan 8.280 nan 0.000 0.581 220 S N 1.288 117.051 115.700 0.105 0.000 2.407 220 S HA 0.306 4.776 4.470 0.000 0.000 0.166 220 S C -2.976 171.657 174.600 0.055 0.000 1.445 220 S CA -1.314 56.962 58.200 0.127 0.000 1.260 220 S CB -0.013 63.053 63.200 -0.223 0.000 1.401 220 S HN 0.165 nan 8.310 nan 0.000 0.379 221 P HA 0.205 nan 4.420 nan 0.000 0.278 221 P C 0.804 177.942 177.300 -0.270 0.000 1.238 221 P CA -0.661 62.312 63.100 -0.211 0.000 0.794 221 P CB 0.801 32.430 31.700 -0.117 0.000 0.955 222 L N 2.653 123.663 121.223 -0.356 0.000 2.044 222 L HA 0.185 4.525 4.340 0.000 0.000 0.205 222 L C 0.271 176.588 176.870 -0.922 0.000 1.075 222 L CA 1.859 56.297 54.840 -0.670 0.000 0.747 222 L CB -0.701 40.939 42.059 -0.698 0.000 0.903 222 L HN 0.239 nan 8.230 nan 0.000 0.435 223 F N -2.185 117.644 119.950 -0.202 0.000 2.639 223 F HA 0.413 4.940 4.527 0.000 0.000 0.339 223 F C 1.667 177.385 175.800 -0.137 0.000 1.071 223 F CA -0.754 57.155 58.000 -0.151 0.000 0.994 223 F CB 0.563 39.507 39.000 -0.094 0.000 1.341 223 F HN -0.319 nan 8.300 nan 0.000 0.498 224 R N 0.625 121.189 120.500 0.106 0.000 2.096 224 R HA 0.172 4.512 4.340 0.000 0.000 0.235 224 R C 0.893 177.191 176.300 -0.002 0.000 1.127 224 R CA 1.369 57.464 56.100 -0.009 0.000 0.968 224 R CB -0.549 29.731 30.300 -0.034 0.000 0.861 224 R HN 1.012 nan 8.270 nan 0.000 0.440 225 G N 0.105 108.928 108.800 0.038 0.000 2.593 225 G HA2 -0.378 3.582 3.960 0.000 0.000 0.237 225 G HA3 -0.378 3.582 3.960 0.000 0.000 0.237 225 G C -0.966 173.923 174.900 -0.019 0.000 1.312 225 G CA 0.104 45.211 45.100 0.012 0.000 0.896 225 G HN 0.544 nan 8.290 nan 0.000 0.574 226 Q N 0.274 120.061 119.800 -0.021 0.000 2.269 226 Q HA 0.067 4.408 4.340 0.000 0.000 0.300 226 Q C 1.471 177.442 176.000 -0.048 0.000 1.070 226 Q CA 0.761 56.545 55.803 -0.032 0.000 0.957 226 Q CB 0.358 29.080 28.738 -0.027 0.000 1.131 226 Q HN 0.608 nan 8.270 nan 0.000 0.377 227 E N 3.361 123.530 120.200 -0.052 0.000 2.160 227 E HA -0.229 4.121 4.350 0.000 0.000 0.195 227 E C 0.362 176.919 176.600 -0.072 0.000 0.991 227 E CA 1.362 57.723 56.400 -0.064 0.000 0.810 227 E CB 0.410 30.076 29.700 -0.057 0.000 0.742 227 E HN 0.689 nan 8.360 nan 0.000 0.466 228 D N -0.183 120.180 120.400 -0.063 0.000 2.149 228 D HA -0.035 4.605 4.640 0.000 0.000 0.206 228 D C 1.685 177.939 176.300 -0.077 0.000 0.967 228 D CA 1.153 55.114 54.000 -0.066 0.000 0.848 228 D CB -0.295 40.472 40.800 -0.055 0.000 0.998 228 D HN 0.162 nan 8.370 nan 0.000 0.474 229 A N 0.761 123.536 122.820 -0.074 0.000 2.225 229 A HA -0.007 4.314 4.320 0.000 0.000 0.215 229 A C 1.205 178.728 177.584 -0.103 0.000 1.164 229 A CA 0.662 52.646 52.037 -0.089 0.000 0.710 229 A CB -0.337 18.618 19.000 -0.075 0.000 0.780 229 A HN 0.275 nan 8.150 nan 0.000 0.473 230 S N -1.410 114.231 115.700 -0.099 0.000 2.608 230 S HA 0.635 5.106 4.470 0.000 0.000 0.291 230 S C -1.817 172.712 174.600 -0.117 0.000 1.146 230 S CA -1.056 57.080 58.200 -0.107 0.000 1.043 230 S CB 1.637 64.767 63.200 -0.116 0.000 1.037 230 S HN 0.068 nan 8.310 nan 0.000 0.520 231 P HA 0.242 nan 4.420 nan 0.000 0.203 231 P C -0.393 176.803 177.300 -0.174 0.000 1.206 231 P CA 0.341 63.371 63.100 -0.117 0.000 0.896 231 P CB -0.135 31.511 31.700 -0.092 0.000 0.728 232 D N -0.428 119.855 120.400 -0.195 0.000 2.360 232 D HA 0.025 4.665 4.640 0.000 0.000 0.242 232 D C 0.971 176.934 176.300 -0.563 0.000 1.184 232 D CA 0.016 53.783 54.000 -0.388 0.000 0.930 232 D CB 0.895 41.542 40.800 -0.254 0.000 1.161 232 D HN 0.013 nan 8.370 nan 0.000 0.447 233 R N 0.632 120.484 120.500 -1.080 0.000 2.300 233 R HA 0.008 4.348 4.340 0.000 0.000 0.199 233 R C 0.604 176.361 176.300 -0.905 0.000 0.920 233 R CA 0.471 56.035 56.100 -0.894 0.000 1.046 233 R CB 0.121 29.872 30.300 -0.914 0.000 0.984 233 R HN 0.338 nan 8.270 nan 0.000 0.493 234 F N -1.303 118.325 119.950 -0.537 0.000 2.706 234 F HA 0.418 4.945 4.527 0.000 0.000 0.313 234 F C 0.571 176.132 175.800 -0.397 0.000 1.096 234 F CA -0.613 56.940 58.000 -0.745 0.000 1.219 234 F CB 0.523 38.819 39.000 -1.174 0.000 1.051 234 F HN -0.201 nan 8.300 nan 0.000 0.568 235 S N 2.352 117.939 115.700 -0.187 0.000 4.069 235 S HA 0.194 4.664 4.470 0.000 0.000 0.192 235 S C -0.300 173.834 174.600 -0.778 0.000 1.441 235 S CA -0.325 57.730 58.200 -0.242 0.000 0.994 235 S CB -1.548 61.703 63.200 0.086 0.000 1.456 235 S HN 0.635 nan 8.310 nan 0.000 0.458 236 N N -2.429 115.557 118.700 -1.190 0.000 2.710 236 N HA 0.297 5.037 4.740 0.000 0.000 0.257 236 N C 0.421 175.436 175.510 -0.827 0.000 1.327 236 N CA -0.903 51.560 53.050 -0.979 0.000 0.861 236 N CB 0.243 38.498 38.487 -0.387 0.000 1.532 236 N HN -0.182 nan 8.380 nan 0.000 0.499 237 T N -0.631 113.656 114.554 -0.445 0.000 2.635 237 T HA -0.244 4.106 4.350 0.000 0.000 0.267 237 T C 1.034 175.604 174.700 -0.216 0.000 1.040 237 T CA 2.117 64.118 62.100 -0.165 0.000 1.156 237 T CB -0.675 68.057 68.868 -0.227 0.000 0.863 237 T HN 0.805 nan 8.240 nan 0.000 0.430 238 D N -0.047 120.093 120.400 -0.433 0.000 2.126 238 D HA -0.209 4.432 4.640 0.000 0.000 0.190 238 D C 1.876 178.208 176.300 0.054 0.000 1.001 238 D CA 1.461 55.307 54.000 -0.255 0.000 0.841 238 D CB -0.400 40.276 40.800 -0.206 0.000 0.949 238 D HN 0.515 nan 8.370 nan 0.000 0.446 239 Y N 0.567 120.845 120.300 -0.035 0.000 2.145 239 Y HA -0.161 4.390 4.550 0.000 0.000 0.286 239 Y C 2.235 178.202 175.900 0.111 0.000 1.145 239 Y CA 2.200 60.332 58.100 0.054 0.000 1.148 239 Y CB -0.780 37.703 38.460 0.038 0.000 0.981 239 Y HN 0.072 nan 8.280 nan 0.000 0.507 240 A N -0.261 122.659 122.820 0.167 0.000 1.851 240 A HA -0.214 4.106 4.320 0.000 0.000 0.216 240 A C 2.356 180.007 177.584 0.113 0.000 1.195 240 A CA 2.473 54.628 52.037 0.198 0.000 0.622 240 A CB -1.480 17.735 19.000 0.358 0.000 0.831 240 A HN 0.355 nan 8.150 nan 0.000 0.444 241 V N -0.009 119.980 119.914 0.125 0.000 2.252 241 V HA -0.266 3.855 4.120 0.000 0.000 0.249 241 V C 2.837 178.981 176.094 0.084 0.000 1.056 241 V CA 2.293 64.676 62.300 0.139 0.000 1.022 241 V CB -1.609 30.368 31.823 0.256 0.000 0.641 241 V HN 0.651 nan 8.190 nan 0.000 0.445 242 G N -1.984 106.854 108.800 0.063 0.000 2.418 242 G HA2 -0.320 3.640 3.960 0.000 0.000 0.217 242 G HA3 -0.320 3.640 3.960 0.000 0.000 0.217 242 G C 1.528 176.411 174.900 -0.028 0.000 1.158 242 G CA 1.097 46.206 45.100 0.016 0.000 0.771 242 G HN 0.491 nan 8.290 nan 0.000 0.545 243 Y N 1.068 121.168 120.300 -0.332 0.000 2.070 243 Y HA -0.097 4.453 4.550 0.000 0.000 0.280 243 Y C 2.991 178.810 175.900 -0.135 0.000 1.148 243 Y CA 1.516 59.415 58.100 -0.336 0.000 1.125 243 Y CB -0.423 37.756 38.460 -0.468 0.000 0.975 243 Y HN 0.109 nan 8.280 nan 0.000 0.492 244 M N -0.835 118.743 119.600 -0.035 0.000 2.149 244 M HA -0.280 4.200 4.480 0.000 0.000 0.261 244 M C 2.228 178.479 176.300 -0.081 0.000 1.064 244 M CA 1.672 56.927 55.300 -0.076 0.000 1.102 244 M CB -0.668 31.942 32.600 0.018 0.000 1.369 244 M HN 0.326 nan 8.290 nan 0.000 0.408 245 L N -0.895 120.304 121.223 -0.041 0.000 1.994 245 L HA -0.225 4.115 4.340 0.000 0.000 0.208 245 L C 2.630 179.463 176.870 -0.062 0.000 1.071 245 L CA 1.377 56.197 54.840 -0.034 0.000 0.745 245 L CB -0.589 41.466 42.059 -0.007 0.000 0.892 245 L HN 0.235 nan 8.230 nan 0.000 0.431 246 R N 0.150 120.604 120.500 -0.076 0.000 2.105 246 R HA -0.126 4.214 4.340 0.000 0.000 0.239 246 R C 2.152 178.369 176.300 -0.139 0.000 1.135 246 R CA 1.144 57.195 56.100 -0.081 0.000 0.967 246 R CB -0.234 30.038 30.300 -0.046 0.000 0.861 246 R HN 0.287 nan 8.270 nan 0.000 0.442 247 L N -0.871 120.211 121.223 -0.236 0.000 2.633 247 L HA 0.022 4.362 4.340 0.000 0.000 0.235 247 L C 1.190 177.976 176.870 -0.140 0.000 1.163 247 L CA 0.868 55.557 54.840 -0.251 0.000 0.859 247 L CB 0.025 41.865 42.059 -0.365 0.000 0.973 247 L HN 0.643 nan 8.230 nan 0.000 0.451 248 G N -0.845 107.895 108.800 -0.101 0.000 2.184 248 G HA2 -0.201 3.759 3.960 0.000 0.000 0.206 248 G HA3 -0.201 3.759 3.960 0.000 0.000 0.206 248 G C 0.330 175.196 174.900 -0.058 0.000 0.995 248 G CA -0.186 44.872 45.100 -0.071 0.000 0.651 248 G HN 0.428 nan 8.290 nan 0.000 0.511 249 A N 1.229 124.015 122.820 -0.055 0.000 2.444 249 A HA 0.648 4.968 4.320 0.000 0.000 0.273 249 A C -1.780 175.794 177.584 -0.016 0.000 1.136 249 A CA -0.791 51.226 52.037 -0.033 0.000 0.799 249 A CB 0.115 19.102 19.000 -0.022 0.000 1.081 249 A HN 0.141 nan 8.150 nan 0.000 0.509 250 P HA 0.181 nan 4.420 nan 0.000 0.267 250 P C 0.909 178.221 177.300 0.020 0.000 1.205 250 P CA 0.430 63.531 63.100 0.001 0.000 0.765 250 P CB 1.164 32.865 31.700 0.001 0.000 0.828 251 A N 3.605 126.437 122.820 0.020 0.000 1.948 251 A HA -0.215 4.105 4.320 0.000 0.000 0.220 251 A C 2.110 179.726 177.584 0.052 0.000 1.177 251 A CA 2.347 54.404 52.037 0.033 0.000 0.636 251 A CB -1.600 17.415 19.000 0.024 0.000 0.815 251 A HN 0.591 nan 8.150 nan 0.000 0.449 252 S N -0.779 114.948 115.700 0.046 0.000 2.469 252 S HA -0.070 4.400 4.470 0.000 0.000 0.238 252 S C 1.409 176.051 174.600 0.070 0.000 0.998 252 S CA 1.466 59.698 58.200 0.054 0.000 0.957 252 S CB -0.193 63.028 63.200 0.035 0.000 0.764 252 S HN 0.613 nan 8.310 nan 0.000 0.514 253 K N -0.071 120.374 120.400 0.074 0.000 2.373 253 K HA 0.367 4.687 4.320 0.000 0.000 0.202 253 K C -0.756 175.924 176.600 0.133 0.000 1.025 253 K CA -0.253 56.100 56.287 0.111 0.000 1.115 253 K CB 0.389 32.938 32.500 0.081 0.000 0.858 253 K HN 0.236 nan 8.250 nan 0.000 0.525 254 L N 1.659 122.943 121.223 0.103 0.000 2.280 254 L HA 0.278 4.618 4.340 0.000 0.000 0.287 254 L C -0.998 175.937 176.870 0.107 0.000 1.023 254 L CA -0.625 54.279 54.840 0.108 0.000 0.819 254 L CB 1.449 43.555 42.059 0.080 0.000 1.212 254 L HN -0.248 nan 8.230 nan 0.000 0.420 255 V N 6.115 126.111 119.914 0.136 0.000 2.370 255 V HA 0.395 4.516 4.120 0.000 0.000 0.283 255 V C 0.320 176.500 176.094 0.144 0.000 1.023 255 V CA -0.537 61.827 62.300 0.106 0.000 0.857 255 V CB 1.436 33.298 31.823 0.066 0.000 0.985 255 V HN 0.798 nan 8.190 nan 0.000 0.443 256 M N 4.157 123.833 119.600 0.127 0.000 2.120 256 M HA 0.484 4.964 4.480 0.000 0.000 0.354 256 M C 0.721 177.134 176.300 0.189 0.000 1.287 256 M CA -0.170 55.220 55.300 0.150 0.000 1.103 256 M CB 0.578 33.263 32.600 0.142 0.000 1.623 256 M HN 0.832 nan 8.290 nan 0.000 0.471 257 G N 6.321 115.255 108.800 0.224 0.000 2.378 257 G HA2 0.458 4.418 3.960 0.000 0.000 0.255 257 G HA3 0.458 4.418 3.960 0.000 0.000 0.255 257 G C -0.683 174.454 174.900 0.394 0.000 1.270 257 G CA -0.480 44.838 45.100 0.364 0.000 0.876 257 G HN 0.805 nan 8.290 nan 0.000 0.521 258 I N 4.787 125.592 120.570 0.393 0.000 2.447 258 I HA 0.303 4.473 4.170 0.000 0.000 0.287 258 I C -2.144 174.131 176.117 0.264 0.000 1.023 258 I CA -2.300 59.166 61.300 0.275 0.000 1.083 258 I CB 3.164 41.260 38.000 0.160 0.000 1.245 258 I HN 0.335 nan 8.210 nan 0.000 0.434 259 P HA 0.183 nan 4.420 nan 0.000 0.284 259 P C 0.139 177.427 177.300 -0.019 0.000 1.253 259 P CA -0.306 62.748 63.100 -0.076 0.000 0.800 259 P CB 1.425 32.743 31.700 -0.635 0.000 0.961 260 T N -0.702 113.945 114.554 0.155 0.000 3.176 260 T HA 0.381 4.731 4.350 0.000 0.000 0.263 260 T C 0.225 175.072 174.700 0.245 0.000 1.021 260 T CA -0.362 61.826 62.100 0.147 0.000 0.905 260 T CB -1.045 67.927 68.868 0.173 0.000 1.057 260 T HN 0.390 nan 8.240 nan 0.000 0.558 261 F N -0.961 119.067 119.950 0.130 0.000 2.603 261 F HA 0.914 5.442 4.527 0.000 0.000 0.317 261 F C -0.132 175.747 175.800 0.133 0.000 1.066 261 F CA -1.858 56.184 58.000 0.069 0.000 0.941 261 F CB 1.040 40.031 39.000 -0.014 0.000 1.291 261 F HN 0.072 nan 8.300 nan 0.000 0.472 262 G N 1.017 109.858 108.800 0.068 0.000 2.473 262 G HA2 0.614 4.574 3.960 0.000 0.000 0.321 262 G HA3 0.614 4.574 3.960 0.000 0.000 0.321 262 G C -1.386 173.439 174.900 -0.125 0.000 1.200 262 G CA -1.251 43.849 45.100 -0.000 0.000 0.963 262 G HN 0.568 nan 8.290 nan 0.000 0.483 263 R N 0.352 120.693 120.500 -0.265 0.000 2.312 263 R HA 0.497 4.837 4.340 0.000 0.000 0.311 263 R C 0.229 176.263 176.300 -0.444 0.000 1.004 263 R CA -0.395 55.496 56.100 -0.349 0.000 0.902 263 R CB 1.337 31.432 30.300 -0.342 0.000 1.073 263 R HN 0.698 nan 8.270 nan 0.000 0.457 264 S N 2.017 117.397 115.700 -0.533 0.000 2.638 264 S HA 0.807 5.277 4.470 0.000 0.000 0.298 264 S C -0.520 173.635 174.600 -0.742 0.000 1.111 264 S CA -0.602 57.307 58.200 -0.486 0.000 1.027 264 S CB 1.294 64.328 63.200 -0.277 0.000 1.064 264 S HN 0.333 nan 8.310 nan 0.000 0.525 265 F N -0.691 119.343 119.950 0.141 0.000 2.626 265 F HA 0.511 5.038 4.527 0.000 0.000 0.311 265 F C 0.135 175.998 175.800 0.106 0.000 1.088 265 F CA -0.791 57.264 58.000 0.092 0.000 0.949 265 F CB 2.147 41.167 39.000 0.033 0.000 1.322 265 F HN 0.499 nan 8.300 nan 0.000 0.461 266 T N 3.682 118.396 114.554 0.266 0.000 2.753 266 T HA 0.508 4.858 4.350 0.000 0.000 0.297 266 T C 0.073 174.862 174.700 0.147 0.000 0.981 266 T CA -0.508 61.702 62.100 0.183 0.000 0.956 266 T CB 0.122 69.064 68.868 0.123 0.000 0.936 266 T HN 0.299 nan 8.240 nan 0.000 0.463 267 L N 2.075 123.393 121.223 0.159 0.000 2.499 267 L HA 0.272 4.612 4.340 0.000 0.000 0.281 267 L C 1.300 178.203 176.870 0.055 0.000 1.234 267 L CA -0.249 54.645 54.840 0.089 0.000 0.839 267 L CB 0.241 42.382 42.059 0.137 0.000 1.104 267 L HN 0.723 nan 8.230 nan 0.000 0.500 268 A N 0.895 123.723 122.820 0.013 0.000 2.469 268 A HA 0.362 4.683 4.320 0.000 0.000 0.245 268 A C 0.476 178.065 177.584 0.007 0.000 1.221 268 A CA 0.494 52.536 52.037 0.008 0.000 0.946 268 A CB 0.206 19.198 19.000 -0.014 0.000 1.049 268 A HN 0.761 nan 8.150 nan 0.000 0.529 269 S N -1.756 113.952 115.700 0.013 0.000 2.800 269 S HA 0.371 4.841 4.470 0.000 0.000 0.293 269 S C 0.753 175.374 174.600 0.035 0.000 1.209 269 S CA 0.515 58.724 58.200 0.015 0.000 0.884 269 S CB 0.361 63.557 63.200 -0.006 0.000 1.244 269 S HN 0.705 nan 8.310 nan 0.000 0.540 270 S N -0.569 115.150 115.700 0.032 0.000 2.562 270 S HA 0.192 4.662 4.470 0.000 0.000 0.221 270 S C 0.207 174.839 174.600 0.054 0.000 0.975 270 S CA -0.065 58.164 58.200 0.048 0.000 0.918 270 S CB -0.731 62.492 63.200 0.039 0.000 0.772 270 S HN 0.693 nan 8.310 nan 0.000 0.531 271 E N 2.100 122.318 120.200 0.029 0.000 2.324 271 E HA 0.214 4.564 4.350 0.000 0.000 0.271 271 E C 0.544 177.175 176.600 0.051 0.000 1.028 271 E CA 0.371 56.782 56.400 0.018 0.000 0.890 271 E CB 0.774 30.456 29.700 -0.031 0.000 1.004 271 E HN 0.550 nan 8.360 nan 0.000 0.431 272 T N -0.654 113.965 114.554 0.108 0.000 3.111 272 T HA 0.252 4.602 4.350 0.000 0.000 0.284 272 T C 0.752 175.650 174.700 0.330 0.000 0.983 272 T CA -0.313 61.946 62.100 0.266 0.000 0.900 272 T CB 0.564 69.638 68.868 0.343 0.000 1.132 272 T HN 0.366 nan 8.240 nan 0.000 0.531 273 G N 1.200 110.063 108.800 0.105 0.000 2.563 273 G HA2 0.525 4.485 3.960 0.000 0.000 0.283 273 G HA3 0.525 4.485 3.960 0.000 0.000 0.283 273 G C -0.336 174.470 174.900 -0.157 0.000 1.309 273 G CA -0.618 44.517 45.100 0.059 0.000 1.022 273 G HN 0.305 nan 8.290 nan 0.000 0.501 274 V N 0.533 120.350 119.914 -0.161 0.000 2.673 274 V HA 0.395 4.516 4.120 0.000 0.000 0.303 274 V C 1.617 177.510 176.094 -0.334 0.000 1.046 274 V CA 1.795 63.919 62.300 -0.294 0.000 1.126 274 V CB 0.526 32.280 31.823 -0.115 0.000 0.934 274 V HN 1.830 nan 8.190 nan 0.000 0.487 275 G N 3.367 111.877 108.800 -0.484 0.000 2.159 275 G HA2 -0.112 3.848 3.960 0.000 0.000 0.256 275 G HA3 -0.112 3.848 3.960 0.000 0.000 0.256 275 G C 0.391 175.082 174.900 -0.348 0.000 0.977 275 G CA 0.202 45.080 45.100 -0.371 0.000 0.652 275 G HN 1.508 nan 8.290 nan 0.000 0.531 276 A N 0.467 123.033 122.820 -0.423 0.000 2.386 276 A HA 0.689 5.010 4.320 0.000 0.000 0.248 276 A C -1.585 175.801 177.584 -0.329 0.000 1.082 276 A CA -0.722 51.125 52.037 -0.318 0.000 0.789 276 A CB 0.305 19.134 19.000 -0.284 0.000 1.025 276 A HN 0.181 nan 8.150 nan 0.000 0.490 277 P HA 0.334 nan 4.420 nan 0.000 0.268 277 P C -0.592 176.606 177.300 -0.170 0.000 1.205 277 P CA 0.298 63.291 63.100 -0.177 0.000 0.771 277 P CB 0.416 32.051 31.700 -0.108 0.000 0.858 278 I N -1.454 119.020 120.570 -0.159 0.000 2.828 278 I HA 0.524 4.694 4.170 0.000 0.000 0.302 278 I C 0.549 176.643 176.117 -0.037 0.000 1.101 278 I CA -0.780 60.464 61.300 -0.095 0.000 1.031 278 I CB 2.598 40.520 38.000 -0.131 0.000 1.231 278 I HN 0.191 nan 8.210 nan 0.000 0.427 279 S N 2.018 117.725 115.700 0.013 0.000 2.535 279 S HA 0.686 5.157 4.470 0.000 0.000 0.214 279 S C 0.692 175.319 174.600 0.045 0.000 0.980 279 S CA 0.233 58.447 58.200 0.023 0.000 0.907 279 S CB -0.024 63.195 63.200 0.032 0.000 0.790 279 S HN 1.555 nan 8.310 nan 0.000 0.510 280 G N 0.780 109.625 108.800 0.076 0.000 2.351 280 G HA2 0.355 4.315 3.960 0.000 0.000 0.279 280 G HA3 0.355 4.315 3.960 0.000 0.000 0.279 280 G C -3.503 171.498 174.900 0.168 0.000 1.297 280 G CA -0.833 44.330 45.100 0.106 0.000 0.886 280 G HN 0.124 nan 8.290 nan 0.000 0.493 281 P HA 0.403 nan 4.420 nan 0.000 0.271 281 P C 0.713 178.044 177.300 0.052 0.000 1.244 281 P CA 0.643 63.790 63.100 0.078 0.000 0.793 281 P CB 0.452 32.167 31.700 0.025 0.000 0.984 282 G N 0.760 109.541 108.800 -0.032 0.000 2.572 282 G HA2 0.319 4.279 3.960 0.000 0.000 0.261 282 G HA3 0.319 4.279 3.960 0.000 0.000 0.261 282 G C -0.251 174.643 174.900 -0.011 0.000 1.197 282 G CA -0.466 44.626 45.100 -0.014 0.000 0.870 282 G HN 0.368 nan 8.290 nan 0.000 0.548 283 I N 1.486 122.065 120.570 0.015 0.000 2.683 283 I HA 0.064 4.234 4.170 0.000 0.000 0.286 283 I C -1.697 174.416 176.117 -0.008 0.000 1.175 283 I CA -1.977 59.336 61.300 0.021 0.000 1.429 283 I CB 0.476 38.508 38.000 0.053 0.000 1.371 283 I HN 0.194 nan 8.210 nan 0.000 0.569 284 P HA 0.057 nan 4.420 nan 0.000 0.266 284 P C 0.254 177.548 177.300 -0.010 0.000 1.195 284 P CA -0.092 62.998 63.100 -0.016 0.000 0.768 284 P CB 0.452 32.148 31.700 -0.006 0.000 0.838 285 G N 2.103 110.894 108.800 -0.015 0.000 2.483 285 G HA2 0.016 3.976 3.960 0.000 0.000 0.248 285 G HA3 0.016 3.976 3.960 0.000 0.000 0.248 285 G C 0.992 175.899 174.900 0.011 0.000 1.248 285 G CA -0.477 44.626 45.100 0.006 0.000 0.838 285 G HN 0.514 nan 8.290 nan 0.000 0.566 286 R N 1.019 121.507 120.500 -0.020 0.000 2.103 286 R HA -0.151 4.189 4.340 0.000 0.000 0.242 286 R C 1.508 177.635 176.300 -0.288 0.000 1.142 286 R CA 1.870 57.842 56.100 -0.213 0.000 0.960 286 R CB -0.206 29.853 30.300 -0.401 0.000 0.858 286 R HN 0.611 nan 8.270 nan 0.000 0.439 287 F N -1.134 118.903 119.950 0.145 0.000 2.505 287 F HA 0.068 4.595 4.527 0.001 0.000 0.289 287 F C 2.423 178.312 175.800 0.147 0.000 1.101 287 F CA 0.971 59.087 58.000 0.193 0.000 1.446 287 F CB -0.118 39.093 39.000 0.351 0.000 1.123 287 F HN 0.071 nan 8.300 nan 0.000 0.564 288 T N -3.228 111.473 114.554 0.245 0.000 3.100 288 T HA 0.016 4.366 4.350 0.000 0.000 0.253 288 T C 0.837 175.595 174.700 0.096 0.000 1.118 288 T CA -0.114 62.072 62.100 0.143 0.000 1.058 288 T CB -0.293 68.599 68.868 0.041 0.000 0.953 288 T HN -0.021 nan 8.240 nan 0.000 0.515 289 K N 1.611 122.056 120.400 0.075 0.000 3.213 289 K HA -0.199 4.121 4.320 0.000 0.000 0.266 289 K C -0.194 176.419 176.600 0.021 0.000 0.911 289 K CA 0.908 57.220 56.287 0.043 0.000 0.684 289 K CB -1.559 30.977 32.500 0.059 0.000 1.402 289 K HN 0.851 nan 8.250 nan 0.000 0.465 290 E N -0.495 119.704 120.200 -0.002 0.000 2.281 290 E HA 0.445 4.796 4.350 0.000 0.000 0.266 290 E C -0.861 175.710 176.600 -0.048 0.000 0.893 290 E CA -0.359 56.023 56.400 -0.029 0.000 0.798 290 E CB 1.279 30.951 29.700 -0.048 0.000 1.245 290 E HN 0.270 nan 8.360 nan 0.000 0.410 291 A N 2.750 125.546 122.820 -0.041 0.000 2.567 291 A HA 0.416 4.736 4.320 0.000 0.000 0.240 291 A C 1.276 178.816 177.584 -0.074 0.000 1.053 291 A CA 1.091 53.102 52.037 -0.044 0.000 0.755 291 A CB -0.365 18.623 19.000 -0.020 0.000 0.978 291 A HN 1.305 nan 8.150 nan 0.000 0.507 292 G N 1.889 110.627 108.800 -0.104 0.000 2.159 292 G HA2 -0.140 3.820 3.960 0.000 0.000 0.256 292 G HA3 -0.140 3.820 3.960 0.000 0.000 0.256 292 G C 0.253 175.037 174.900 -0.193 0.000 0.977 292 G CA 0.583 45.576 45.100 -0.179 0.000 0.652 292 G HN 1.497 nan 8.290 nan 0.000 0.531 293 T N 0.149 114.617 114.554 -0.143 0.000 2.912 293 T HA 0.713 5.064 4.350 0.000 0.000 0.299 293 T C -0.549 174.089 174.700 -0.103 0.000 1.052 293 T CA -0.517 61.516 62.100 -0.111 0.000 0.996 293 T CB 2.374 71.169 68.868 -0.122 0.000 1.070 293 T HN 0.487 nan 8.240 nan 0.000 0.465 294 L N 1.817 122.993 121.223 -0.079 0.000 2.505 294 L HA 0.690 5.030 4.340 0.000 0.000 0.266 294 L C 0.054 176.860 176.870 -0.106 0.000 0.954 294 L CA -1.224 53.538 54.840 -0.130 0.000 0.852 294 L CB 1.822 43.756 42.059 -0.209 0.000 1.282 294 L HN 0.818 nan 8.230 nan 0.000 0.403 295 A N 1.412 124.077 122.820 -0.258 0.000 2.407 295 A HA 0.135 4.455 4.320 0.000 0.000 0.248 295 A C 0.538 177.924 177.584 -0.330 0.000 1.082 295 A CA 0.094 51.922 52.037 -0.349 0.000 0.785 295 A CB 0.129 18.590 19.000 -0.900 0.000 1.020 295 A HN 0.779 nan 8.150 nan 0.000 0.489 296 Y N 2.106 122.277 120.300 -0.216 0.000 2.181 296 Y HA -0.377 4.173 4.550 0.001 0.000 0.284 296 Y C 1.981 177.788 175.900 -0.155 0.000 1.179 296 Y CA 3.006 61.031 58.100 -0.125 0.000 1.179 296 Y CB -0.668 37.804 38.460 0.020 0.000 0.973 296 Y HN 0.855 nan 8.280 nan 0.000 0.519 297 Y N -1.131 119.037 120.300 -0.220 0.000 2.200 297 Y HA -0.077 4.473 4.550 0.000 0.000 0.290 297 Y C 2.026 177.664 175.900 -0.437 0.000 1.137 297 Y CA 1.258 59.067 58.100 -0.485 0.000 1.163 297 Y CB -1.336 36.548 38.460 -0.959 0.000 0.988 297 Y HN 0.135 nan 8.280 nan 0.000 0.518 298 E N 0.896 120.816 120.200 -0.466 0.000 2.110 298 E HA -0.141 4.210 4.350 0.000 0.000 0.193 298 E C 2.145 178.686 176.600 -0.099 0.000 0.988 298 E CA 1.572 57.894 56.400 -0.129 0.000 0.804 298 E CB -0.276 29.323 29.700 -0.168 0.000 0.745 298 E HN 0.576 nan 8.360 nan 0.000 0.458 299 I N 0.649 121.061 120.570 -0.263 0.000 2.226 299 I HA -0.312 3.859 4.170 0.000 0.000 0.245 299 I C 2.362 178.328 176.117 -0.251 0.000 1.100 299 I CA 0.613 61.730 61.300 -0.306 0.000 1.374 299 I CB -0.264 37.411 38.000 -0.541 0.000 1.057 299 I HN 0.252 nan 8.210 nan 0.000 0.413 300 c N 0.625 119.010 118.600 -0.358 0.000 2.411 300 c HA -0.186 4.385 4.570 0.000 0.000 0.279 300 c C 2.390 176.460 174.090 -0.033 0.000 1.288 300 c CA 0.891 57.077 56.329 -0.238 0.000 1.764 300 c CB -1.048 41.334 42.510 -0.213 0.000 1.974 300 c HN 0.524 nan 8.230 nan 0.000 0.498 301 D N -0.376 120.064 120.400 0.067 0.000 2.149 301 D HA -0.069 4.572 4.640 0.000 0.000 0.201 301 D C 1.750 178.101 176.300 0.086 0.000 0.972 301 D CA 0.825 54.900 54.000 0.125 0.000 0.835 301 D CB -0.472 40.469 40.800 0.235 0.000 0.966 301 D HN 0.499 nan 8.370 nan 0.000 0.476 302 F N 1.402 121.316 119.950 -0.060 0.000 2.134 302 F HA -0.099 4.428 4.527 0.000 0.000 0.299 302 F C 2.038 177.789 175.800 -0.081 0.000 1.097 302 F CA 1.026 58.984 58.000 -0.070 0.000 1.264 302 F CB -0.199 38.734 39.000 -0.111 0.000 1.001 302 F HN -0.119 nan 8.300 nan 0.000 0.479 303 L N 0.315 121.533 121.223 -0.008 0.000 2.187 303 L HA -0.169 4.172 4.340 0.000 0.000 0.213 303 L C 0.910 177.695 176.870 -0.142 0.000 1.100 303 L CA 0.776 55.564 54.840 -0.087 0.000 0.765 303 L CB -0.712 41.316 42.059 -0.053 0.000 0.904 303 L HN -0.046 nan 8.230 nan 0.000 0.437 304 R N 0.736 121.166 120.500 -0.117 0.000 2.474 304 R HA 0.127 4.467 4.340 0.000 0.000 0.339 304 R C 1.073 177.283 176.300 -0.150 0.000 1.033 304 R CA 0.689 56.730 56.100 -0.099 0.000 0.997 304 R CB -0.178 30.090 30.300 -0.053 0.000 0.963 304 R HN 0.375 nan 8.270 nan 0.000 0.438 305 G N 1.329 110.049 108.800 -0.134 0.000 2.175 305 G HA2 -0.295 3.665 3.960 0.000 0.000 0.244 305 G HA3 -0.295 3.665 3.960 0.000 0.000 0.244 305 G C 0.249 175.038 174.900 -0.185 0.000 0.982 305 G CA -0.046 44.971 45.100 -0.138 0.000 0.641 305 G HN 0.788 nan 8.290 nan 0.000 0.527 306 A N -0.532 122.139 122.820 -0.249 0.000 2.242 306 A HA 0.860 5.181 4.320 0.000 0.000 0.304 306 A C 0.349 177.852 177.584 -0.136 0.000 1.100 306 A CA 0.716 52.593 52.037 -0.267 0.000 0.860 306 A CB 0.852 19.587 19.000 -0.441 0.000 1.168 306 A HN 0.745 nan 8.150 nan 0.000 0.503 307 T N 0.511 115.011 114.554 -0.091 0.000 2.812 307 T HA 0.497 4.847 4.350 0.000 0.000 0.282 307 T C -0.735 173.821 174.700 -0.240 0.000 0.990 307 T CA -0.247 61.763 62.100 -0.150 0.000 0.960 307 T CB 1.137 69.951 68.868 -0.091 0.000 0.948 307 T HN 0.414 nan 8.240 nan 0.000 0.438 308 V N 5.078 124.798 119.914 -0.323 0.000 2.439 308 V HA 0.381 4.501 4.120 0.000 0.000 0.282 308 V C -0.278 175.435 176.094 -0.636 0.000 1.039 308 V CA -0.696 61.407 62.300 -0.327 0.000 0.913 308 V CB 0.941 32.702 31.823 -0.102 0.000 0.983 308 V HN 0.819 nan 8.190 nan 0.000 0.460 309 H N 4.695 123.451 119.070 -0.524 0.000 2.547 309 H HA 0.467 5.023 4.556 0.000 0.000 0.342 309 H C -0.399 174.669 175.328 -0.433 0.000 1.048 309 H CA -0.830 54.887 56.048 -0.552 0.000 1.204 309 H CB 1.825 31.045 29.762 -0.903 0.000 1.493 309 H HN 0.426 nan 8.280 nan 0.000 0.511 310 R N 3.322 123.767 120.500 -0.091 0.000 2.216 310 R HA 0.237 4.578 4.340 0.000 0.000 0.332 310 R C 0.229 176.553 176.300 0.041 0.000 1.056 310 R CA -0.477 55.597 56.100 -0.042 0.000 0.901 310 R CB 0.450 30.734 30.300 -0.027 0.000 1.039 310 R HN 0.553 nan 8.270 nan 0.000 0.456 311 I N 5.671 126.291 120.570 0.084 0.000 2.389 311 I HA 0.009 4.179 4.170 0.000 0.000 0.295 311 I C 0.902 177.059 176.117 0.068 0.000 1.117 311 I CA -0.051 61.336 61.300 0.144 0.000 1.317 311 I CB 0.089 38.205 38.000 0.194 0.000 1.431 311 I HN 0.287 nan 8.210 nan 0.000 0.521 312 L N 6.273 127.534 121.223 0.063 0.000 2.514 312 L HA 0.052 4.392 4.340 0.000 0.000 0.280 312 L C 1.561 178.448 176.870 0.029 0.000 1.223 312 L CA 0.850 55.711 54.840 0.035 0.000 0.864 312 L CB 0.122 42.197 42.059 0.027 0.000 1.118 312 L HN 0.959 nan 8.230 nan 0.000 0.494 313 G N 1.563 110.373 108.800 0.017 0.000 2.363 313 G HA2 -0.313 3.647 3.960 0.000 0.000 0.238 313 G HA3 -0.313 3.647 3.960 0.000 0.000 0.238 313 G C 0.891 175.851 174.900 0.100 0.000 1.062 313 G CA 0.481 45.588 45.100 0.011 0.000 0.629 313 G HN 0.660 nan 8.290 nan 0.000 0.514 314 Q N -0.676 119.169 119.800 0.074 0.000 2.352 314 Q HA 0.160 4.500 4.340 0.000 0.000 0.212 314 Q C 1.180 177.178 176.000 -0.004 0.000 0.888 314 Q CA 0.572 56.401 55.803 0.043 0.000 0.934 314 Q CB 0.351 29.068 28.738 -0.035 0.000 1.093 314 Q HN 0.521 nan 8.270 nan 0.000 0.523 315 Q N -0.780 119.036 119.800 0.026 0.000 2.406 315 Q HA -0.153 4.188 4.340 0.000 0.000 0.236 315 Q C -0.306 175.630 176.000 -0.106 0.000 0.799 315 Q CA 1.234 57.036 55.803 -0.001 0.000 1.286 315 Q CB -2.381 26.399 28.738 0.069 0.000 1.615 315 Q HN 0.369 nan 8.270 nan 0.000 0.621 316 V N -3.247 116.551 119.914 -0.194 0.000 2.914 316 V HA 0.915 5.035 4.120 0.000 0.000 0.314 316 V C -2.502 173.473 176.094 -0.198 0.000 1.084 316 V CA -2.160 59.949 62.300 -0.318 0.000 0.963 316 V CB 2.672 34.000 31.823 -0.825 0.000 1.025 316 V HN -0.131 nan 8.190 nan 0.000 0.432 317 P HA 0.576 nan 4.420 nan 0.000 0.285 317 P C -1.994 175.220 177.300 -0.143 0.000 1.285 317 P CA -0.373 62.593 63.100 -0.222 0.000 0.854 317 P CB 1.689 33.165 31.700 -0.373 0.000 1.180 318 Y N -2.021 118.183 120.300 -0.159 0.000 2.544 318 Y HA 0.805 5.356 4.550 0.000 0.000 0.342 318 Y C -1.780 174.056 175.900 -0.107 0.000 1.062 318 Y CA -1.627 56.303 58.100 -0.285 0.000 1.023 318 Y CB 0.823 38.830 38.460 -0.755 0.000 1.308 318 Y HN 0.599 nan 8.280 nan 0.000 0.457 319 A N 1.789 124.690 122.820 0.134 0.000 2.380 319 A HA 0.851 5.171 4.320 0.000 0.000 0.315 319 A C -0.888 176.837 177.584 0.234 0.000 1.101 319 A CA -0.572 51.580 52.037 0.192 0.000 0.771 319 A CB 1.813 21.041 19.000 0.379 0.000 1.287 319 A HN 1.019 nan 8.150 nan 0.000 0.436 320 T N 0.345 115.080 114.554 0.300 0.000 2.933 320 T HA 0.641 4.991 4.350 0.000 0.000 0.305 320 T C -1.400 173.449 174.700 0.248 0.000 1.092 320 T CA -0.541 61.784 62.100 0.375 0.000 1.008 320 T CB 0.956 70.059 68.868 0.391 0.000 1.102 320 T HN 0.804 nan 8.240 nan 0.000 0.469 321 K N 2.930 123.485 120.400 0.257 0.000 2.589 321 K HA 0.534 4.854 4.320 0.000 0.000 0.253 321 K C 0.452 177.125 176.600 0.122 0.000 0.974 321 K CA 0.215 56.510 56.287 0.013 0.000 0.835 321 K CB 1.001 33.240 32.500 -0.434 0.000 1.272 321 K HN 1.117 nan 8.250 nan 0.000 0.444 322 G N 3.405 112.263 108.800 0.097 0.000 2.566 322 G HA2 -0.388 3.572 3.960 0.000 0.000 0.280 322 G HA3 -0.388 3.572 3.960 0.000 0.000 0.280 322 G C 0.120 175.121 174.900 0.169 0.000 1.225 322 G CA 0.548 45.715 45.100 0.112 0.000 0.966 322 G HN 0.894 nan 8.290 nan 0.000 0.560 323 N N 1.093 119.893 118.700 0.165 0.000 2.362 323 N HA 0.118 4.859 4.740 0.000 0.000 0.204 323 N C 0.290 175.944 175.510 0.240 0.000 1.166 323 N CA 0.699 53.856 53.050 0.178 0.000 0.831 323 N CB 0.355 38.919 38.487 0.128 0.000 1.008 323 N HN 0.589 nan 8.380 nan 0.000 0.472 324 Q N 0.062 120.054 119.800 0.319 0.000 2.282 324 Q HA 0.313 4.653 4.340 0.000 0.000 0.260 324 Q C -1.479 174.823 176.000 0.504 0.000 0.964 324 Q CA -0.288 55.741 55.803 0.377 0.000 0.880 324 Q CB 1.889 30.884 28.738 0.428 0.000 1.286 324 Q HN 0.432 nan 8.270 nan 0.000 0.445 325 W N 2.356 123.777 121.300 0.201 0.000 2.957 325 W HA 0.568 5.228 4.660 0.000 0.000 0.336 325 W C -1.521 175.062 176.519 0.107 0.000 1.087 325 W CA -0.739 56.753 57.345 0.245 0.000 1.235 325 W CB 1.339 30.956 29.460 0.261 0.000 1.399 325 W HN 0.343 nan 8.180 nan 0.000 0.480 326 V N 6.200 126.117 119.914 0.005 0.000 2.668 326 V HA 0.840 4.960 4.120 0.000 0.000 0.304 326 V C -0.492 175.583 176.094 -0.032 0.000 1.071 326 V CA -0.427 61.851 62.300 -0.037 0.000 0.894 326 V CB 1.471 33.090 31.823 -0.339 0.000 1.008 326 V HN 0.702 nan 8.190 nan 0.000 0.425 327 G N 6.046 114.898 108.800 0.086 0.000 2.322 327 G HA2 0.661 4.621 3.960 0.000 0.000 0.309 327 G HA3 0.661 4.621 3.960 0.000 0.000 0.309 327 G C -1.177 173.655 174.900 -0.114 0.000 1.121 327 G CA -0.145 44.871 45.100 -0.140 0.000 0.886 327 G HN 1.306 nan 8.290 nan 0.000 0.447 328 Y N -0.630 119.592 120.300 -0.130 0.000 2.829 328 Y HA 0.709 5.259 4.550 0.001 0.000 0.322 328 Y C -1.125 174.918 175.900 0.238 0.000 1.357 328 Y CA -1.828 56.302 58.100 0.050 0.000 1.081 328 Y CB 1.009 39.517 38.460 0.081 0.000 1.339 328 Y HN 0.322 nan 8.280 nan 0.000 0.469 329 D N 0.886 121.390 120.400 0.172 0.000 2.252 329 D HA 0.368 5.008 4.640 0.000 0.000 0.245 329 D C -1.393 174.983 176.300 0.126 0.000 1.009 329 D CA -0.030 53.990 54.000 0.034 0.000 0.870 329 D CB 2.146 42.955 40.800 0.014 0.000 1.251 329 D HN 0.736 nan 8.370 nan 0.000 0.460 330 D N -0.235 120.186 120.400 0.034 0.000 2.732 330 D HA 0.118 4.758 4.640 0.000 0.000 0.292 330 D C 0.831 177.130 176.300 -0.002 0.000 1.135 330 D CA -0.448 53.609 54.000 0.094 0.000 1.071 330 D CB 0.581 41.584 40.800 0.338 0.000 1.457 330 D HN 0.041 nan 8.370 nan 0.000 0.547 331 Q N -0.275 119.542 119.800 0.029 0.000 2.062 331 Q HA -0.240 4.101 4.340 0.000 0.000 0.209 331 Q C 1.748 177.762 176.000 0.022 0.000 0.996 331 Q CA 2.506 58.324 55.803 0.024 0.000 0.859 331 Q CB -0.095 28.681 28.738 0.063 0.000 0.920 331 Q HN 0.680 nan 8.270 nan 0.000 0.415 332 E N -0.487 119.732 120.200 0.031 0.000 2.031 332 E HA -0.218 4.133 4.350 0.000 0.000 0.193 332 E C 2.050 178.650 176.600 -0.001 0.000 0.994 332 E CA 1.520 57.930 56.400 0.017 0.000 0.800 332 E CB -0.041 29.668 29.700 0.016 0.000 0.752 332 E HN 0.440 nan 8.360 nan 0.000 0.447 333 S N 0.439 116.124 115.700 -0.023 0.000 2.368 333 S HA -0.175 4.295 4.470 0.000 0.000 0.225 333 S C 2.281 176.860 174.600 -0.035 0.000 1.030 333 S CA 1.658 59.829 58.200 -0.049 0.000 0.999 333 S CB -1.012 62.130 63.200 -0.097 0.000 0.844 333 S HN 0.313 nan 8.310 nan 0.000 0.459 334 V N 0.532 120.432 119.914 -0.024 0.000 2.515 334 V HA -0.036 4.084 4.120 0.000 0.000 0.250 334 V C 2.513 178.609 176.094 0.003 0.000 1.058 334 V CA 1.996 64.290 62.300 -0.010 0.000 1.064 334 V CB -1.153 30.665 31.823 -0.009 0.000 0.675 334 V HN 0.521 nan 8.190 nan 0.000 0.461 335 K N 0.775 121.179 120.400 0.008 0.000 2.057 335 K HA -0.147 4.174 4.320 0.000 0.000 0.207 335 K C 2.329 178.942 176.600 0.023 0.000 1.049 335 K CA 1.856 58.153 56.287 0.017 0.000 0.931 335 K CB -0.278 32.235 32.500 0.021 0.000 0.714 335 K HN 0.577 nan 8.250 nan 0.000 0.440 336 S N 0.939 116.653 115.700 0.023 0.000 2.368 336 S HA -0.089 4.381 4.470 0.000 0.000 0.225 336 S C 1.648 176.281 174.600 0.055 0.000 1.030 336 S CA 1.216 59.444 58.200 0.045 0.000 0.999 336 S CB -0.103 63.120 63.200 0.039 0.000 0.844 336 S HN 0.332 nan 8.310 nan 0.000 0.459 337 K N 0.694 121.102 120.400 0.013 0.000 2.147 337 K HA -0.020 4.300 4.320 0.000 0.000 0.205 337 K C 1.966 178.606 176.600 0.066 0.000 1.049 337 K CA 0.948 57.241 56.287 0.011 0.000 0.936 337 K CB -0.264 32.221 32.500 -0.024 0.000 0.722 337 K HN 0.187 nan 8.250 nan 0.000 0.446 338 V N 1.406 121.337 119.914 0.028 0.000 2.379 338 V HA -0.236 3.884 4.120 0.000 0.000 0.245 338 V C 2.224 178.302 176.094 -0.027 0.000 1.044 338 V CA 1.572 63.861 62.300 -0.018 0.000 1.036 338 V CB -0.407 31.395 31.823 -0.035 0.000 0.664 338 V HN 0.326 nan 8.190 nan 0.000 0.453 339 Q N -1.099 118.714 119.800 0.021 0.000 2.061 339 Q HA -0.272 4.068 4.340 0.000 0.000 0.204 339 Q C 2.183 178.211 176.000 0.047 0.000 0.984 339 Q CA 2.492 58.312 55.803 0.028 0.000 0.846 339 Q CB -0.399 28.377 28.738 0.062 0.000 0.902 339 Q HN 0.772 nan 8.270 nan 0.000 0.421 340 Y N 1.785 122.079 120.300 -0.010 0.000 2.069 340 Y HA -0.329 4.221 4.550 0.000 0.000 0.278 340 Y C 2.027 177.911 175.900 -0.026 0.000 1.175 340 Y CA 2.017 60.117 58.100 -0.000 0.000 1.134 340 Y CB -0.432 37.993 38.460 -0.059 0.000 0.965 340 Y HN 0.215 nan 8.280 nan 0.000 0.498 341 L N -0.125 121.122 121.223 0.040 0.000 2.083 341 L HA -0.081 4.260 4.340 0.000 0.000 0.209 341 L C 2.007 178.768 176.870 -0.181 0.000 1.083 341 L CA 1.950 56.745 54.840 -0.075 0.000 0.752 341 L CB -0.983 41.072 42.059 -0.007 0.000 0.899 341 L HN 0.008 nan 8.230 nan 0.000 0.433 342 K N 0.311 120.584 120.400 -0.212 0.000 2.025 342 K HA -0.126 4.194 4.320 0.000 0.000 0.207 342 K C 1.737 178.297 176.600 -0.067 0.000 1.049 342 K CA 1.781 57.946 56.287 -0.203 0.000 0.933 342 K CB -0.365 32.022 32.500 -0.188 0.000 0.714 342 K HN 0.361 nan 8.250 nan 0.000 0.438 343 D N 0.066 120.408 120.400 -0.096 0.000 2.263 343 D HA -0.099 4.541 4.640 0.000 0.000 0.208 343 D C 1.585 177.803 176.300 -0.136 0.000 0.971 343 D CA 0.809 54.756 54.000 -0.088 0.000 0.867 343 D CB 0.190 40.938 40.800 -0.085 0.000 0.929 343 D HN -0.019 nan 8.370 nan 0.000 0.492 344 R N 0.106 120.475 120.500 -0.217 0.000 2.300 344 R HA 0.148 4.488 4.340 0.000 0.000 0.199 344 R C 0.041 176.296 176.300 -0.074 0.000 0.920 344 R CA 0.074 56.050 56.100 -0.207 0.000 1.046 344 R CB 0.079 30.168 30.300 -0.352 0.000 0.984 344 R HN 0.268 nan 8.270 nan 0.000 0.493 345 Q N 0.807 120.598 119.800 -0.016 0.000 2.460 345 Q HA -0.165 4.175 4.340 0.000 0.000 0.311 345 Q C -0.820 175.237 176.000 0.095 0.000 1.396 345 Q CA 0.344 56.198 55.803 0.085 0.000 0.838 345 Q CB -1.607 27.164 28.738 0.056 0.000 1.140 345 Q HN 0.272 nan 8.270 nan 0.000 0.415 346 L N -1.219 120.051 121.223 0.079 0.000 2.416 346 L HA 0.474 4.814 4.340 0.000 0.000 0.262 346 L C 1.616 178.588 176.870 0.171 0.000 1.093 346 L CA 0.211 55.099 54.840 0.081 0.000 0.801 346 L CB 0.458 42.538 42.059 0.035 0.000 1.191 346 L HN 0.334 nan 8.230 nan 0.000 0.459 347 A N 0.992 123.890 122.820 0.129 0.000 2.019 347 A HA 0.270 4.590 4.320 0.000 0.000 0.219 347 A C 0.972 178.656 177.584 0.167 0.000 1.164 347 A CA 1.608 53.724 52.037 0.131 0.000 0.644 347 A CB -0.471 18.561 19.000 0.052 0.000 0.805 347 A HN 1.005 nan 8.150 nan 0.000 0.449 348 G N -3.153 105.697 108.800 0.083 0.000 2.356 348 G HA2 0.561 4.521 3.960 0.000 0.000 0.266 348 G HA3 0.561 4.521 3.960 0.000 0.000 0.266 348 G C -0.816 174.079 174.900 -0.008 0.000 1.312 348 G CA -0.162 44.950 45.100 0.020 0.000 0.922 348 G HN 1.256 nan 8.290 nan 0.000 0.480 349 A N -0.294 122.525 122.820 -0.001 0.000 2.340 349 A HA 0.837 5.157 4.320 0.000 0.000 0.331 349 A C -0.123 177.511 177.584 0.084 0.000 1.140 349 A CA -0.455 51.611 52.037 0.049 0.000 0.801 349 A CB 1.680 20.706 19.000 0.043 0.000 1.234 349 A HN 1.375 nan 8.150 nan 0.000 0.469 350 M N 2.957 122.660 119.600 0.172 0.000 2.311 350 M HA 0.566 5.046 4.480 0.000 0.000 0.325 350 M C -1.924 174.580 176.300 0.340 0.000 1.061 350 M CA -0.519 54.941 55.300 0.265 0.000 0.957 350 M CB 1.345 34.168 32.600 0.372 0.000 1.646 350 M HN 0.383 nan 8.290 nan 0.000 0.434 351 V N 5.607 125.726 119.914 0.341 0.000 2.459 351 V HA 0.498 4.618 4.120 0.000 0.000 0.295 351 V C -1.118 175.235 176.094 0.432 0.000 1.029 351 V CA -0.562 61.938 62.300 0.334 0.000 0.874 351 V CB 2.018 33.967 31.823 0.210 0.000 0.985 351 V HN 0.864 nan 8.190 nan 0.000 0.438 352 W N 5.763 127.212 121.300 0.247 0.000 2.521 352 W HA 0.779 5.439 4.660 0.000 0.000 0.310 352 W C -0.645 175.988 176.519 0.190 0.000 1.000 352 W CA -0.517 56.938 57.345 0.184 0.000 1.353 352 W CB 1.607 31.124 29.460 0.095 0.000 1.276 352 W HN 0.721 nan 8.180 nan 0.000 0.417 353 A N 4.393 127.201 122.820 -0.019 0.000 2.569 353 A HA 0.521 4.842 4.320 0.000 0.000 0.290 353 A C 0.264 177.796 177.584 -0.087 0.000 1.136 353 A CA -0.632 51.204 52.037 -0.335 0.000 0.710 353 A CB 1.300 19.700 19.000 -1.000 0.000 1.303 353 A HN 0.523 nan 8.150 nan 0.000 0.413 354 L N -0.204 120.990 121.223 -0.048 0.000 2.042 354 L HA -0.191 4.150 4.340 0.000 0.000 0.210 354 L C 1.941 178.867 176.870 0.092 0.000 1.076 354 L CA 2.390 57.339 54.840 0.181 0.000 0.749 354 L CB -0.563 41.632 42.059 0.226 0.000 0.893 354 L HN 1.003 nan 8.230 nan 0.000 0.432 355 D N -0.624 119.663 120.400 -0.190 0.000 2.371 355 D HA -0.145 4.495 4.640 0.000 0.000 0.221 355 D C 1.844 178.085 176.300 -0.099 0.000 0.986 355 D CA 0.715 54.472 54.000 -0.405 0.000 0.899 355 D CB -0.104 40.344 40.800 -0.585 0.000 0.902 355 D HN 0.335 nan 8.370 nan 0.000 0.530 356 L N -0.605 120.613 121.223 -0.009 0.000 2.590 356 L HA 0.190 4.530 4.340 0.000 0.000 0.227 356 L C 0.956 177.937 176.870 0.185 0.000 1.099 356 L CA -0.250 54.627 54.840 0.062 0.000 0.872 356 L CB 0.030 42.128 42.059 0.065 0.000 1.088 356 L HN 0.057 nan 8.230 nan 0.000 0.479 357 D N 0.308 120.858 120.400 0.251 0.000 2.411 357 D HA -0.034 4.606 4.640 0.000 0.000 0.251 357 D C -0.277 176.240 176.300 0.362 0.000 1.201 357 D CA -0.212 53.961 54.000 0.288 0.000 0.996 357 D CB 1.021 41.984 40.800 0.272 0.000 1.101 357 D HN -0.158 nan 8.370 nan 0.000 0.504 358 D N 0.881 121.457 120.400 0.293 0.000 2.551 358 D HA -0.007 4.633 4.640 0.000 0.000 0.223 358 D C 1.037 177.207 176.300 -0.217 0.000 1.144 358 D CA -0.360 53.716 54.000 0.127 0.000 1.025 358 D CB -0.948 39.968 40.800 0.193 0.000 1.085 358 D HN 0.324 nan 8.370 nan 0.000 0.506 359 F N 0.840 120.458 119.950 -0.553 0.000 2.269 359 F HA -0.085 4.442 4.527 0.000 0.000 0.301 359 F C 1.676 177.138 175.800 -0.563 0.000 1.082 359 F CA 0.676 57.968 58.000 -1.179 0.000 1.360 359 F CB -0.496 37.989 39.000 -0.859 0.000 1.041 359 F HN 0.139 nan 8.300 nan 0.000 0.512 360 Q N 1.123 120.307 119.800 -1.026 0.000 2.245 360 Q HA 0.099 4.439 4.340 0.000 0.000 0.201 360 Q C 2.095 177.920 176.000 -0.293 0.000 0.955 360 Q CA 1.128 56.539 55.803 -0.655 0.000 0.870 360 Q CB -0.673 27.648 28.738 -0.696 0.000 0.945 360 Q HN 0.732 nan 8.270 nan 0.000 0.461 361 G N 1.163 109.843 108.800 -0.201 0.000 2.155 361 G HA2 -0.315 3.645 3.960 0.000 0.000 0.257 361 G HA3 -0.315 3.645 3.960 0.000 0.000 0.257 361 G C 0.915 175.779 174.900 -0.060 0.000 0.983 361 G CA 0.932 45.993 45.100 -0.065 0.000 0.676 361 G HN 0.490 nan 8.290 nan 0.000 0.528 362 S N -1.553 114.079 115.700 -0.114 0.000 2.512 362 S HA 0.423 4.893 4.470 0.000 0.000 0.216 362 S C 1.634 176.080 174.600 -0.257 0.000 1.006 362 S CA 0.757 58.821 58.200 -0.226 0.000 0.915 362 S CB -0.071 62.889 63.200 -0.400 0.000 0.824 362 S HN 0.233 nan 8.310 nan 0.000 0.497 363 F N 1.500 121.365 119.950 -0.143 0.000 2.387 363 F HA 0.260 4.787 4.527 0.000 0.000 0.294 363 F C 1.993 177.758 175.800 -0.057 0.000 1.093 363 F CA -0.106 57.843 58.000 -0.086 0.000 1.420 363 F CB -0.378 38.586 39.000 -0.061 0.000 1.086 363 F HN 0.283 nan 8.300 nan 0.000 0.531 364 c N 0.276 118.967 118.600 0.152 0.000 2.754 364 c HA 0.643 5.213 4.570 0.000 0.000 0.276 364 c C 1.390 175.519 174.090 0.064 0.000 1.264 364 c CA -0.189 56.191 56.329 0.085 0.000 1.700 364 c CB -1.513 41.072 42.510 0.124 0.000 1.885 364 c HN 0.733 nan 8.230 nan 0.000 0.607 365 G N 1.343 110.165 108.800 0.036 0.000 2.698 365 G HA2 -0.106 3.854 3.960 0.000 0.000 0.233 365 G HA3 -0.106 3.854 3.960 0.000 0.000 0.233 365 G C 0.237 175.156 174.900 0.031 0.000 1.352 365 G CA 0.289 45.399 45.100 0.016 0.000 0.879 365 G HN 0.466 nan 8.290 nan 0.000 0.567 366 Q N -1.006 118.809 119.800 0.025 0.000 2.284 366 Q HA -0.263 4.077 4.340 0.000 0.000 0.205 366 Q C 0.960 176.976 176.000 0.028 0.000 0.682 366 Q CA 2.209 58.032 55.803 0.032 0.000 1.401 366 Q CB -2.106 26.664 28.738 0.054 0.000 1.643 366 Q HN 1.652 nan 8.270 nan 0.000 0.717 367 D N -1.280 119.127 120.400 0.013 0.000 3.044 367 D HA -0.219 4.421 4.640 0.000 0.000 0.223 367 D C 0.187 176.502 176.300 0.025 0.000 1.191 367 D CA 1.280 55.281 54.000 0.002 0.000 0.881 367 D CB -0.775 40.023 40.800 -0.004 0.000 1.115 367 D HN 0.395 nan 8.370 nan 0.000 0.408 368 L N 1.270 122.523 121.223 0.050 0.000 2.361 368 L HA 0.204 4.544 4.340 0.000 0.000 0.278 368 L C 0.569 177.494 176.870 0.093 0.000 1.113 368 L CA 0.050 54.938 54.840 0.080 0.000 0.849 368 L CB 0.493 42.608 42.059 0.095 0.000 1.155 368 L HN -0.113 nan 8.230 nan 0.000 0.452 369 R N 4.255 124.826 120.500 0.119 0.000 2.582 369 R HA 0.291 4.631 4.340 0.000 0.000 0.271 369 R C -0.255 176.207 176.300 0.269 0.000 1.078 369 R CA -0.368 55.802 56.100 0.116 0.000 1.127 369 R CB 0.225 30.660 30.300 0.226 0.000 1.038 369 R HN 0.625 nan 8.270 nan 0.000 0.500 370 F N 0.543 120.587 119.950 0.156 0.000 2.943 370 F HA -0.201 4.326 4.527 0.001 0.000 0.258 370 F C -1.224 174.648 175.800 0.118 0.000 0.995 370 F CA -0.093 58.000 58.000 0.155 0.000 0.896 370 F CB -1.136 37.945 39.000 0.135 0.000 0.821 370 F HN 0.591 nan 8.300 nan 0.000 0.828 371 P HA -0.238 nan 4.420 nan 0.000 0.215 371 P C 1.825 179.180 177.300 0.092 0.000 1.157 371 P CA 1.842 65.043 63.100 0.169 0.000 0.874 371 P CB 0.211 32.043 31.700 0.221 0.000 0.790 372 L N -0.834 120.391 121.223 0.004 0.000 2.005 372 L HA -0.109 4.231 4.340 0.000 0.000 0.207 372 L C 2.739 179.635 176.870 0.042 0.000 1.072 372 L CA 2.227 57.019 54.840 -0.080 0.000 0.744 372 L CB -1.807 40.108 42.059 -0.240 0.000 0.895 372 L HN 0.028 nan 8.230 nan 0.000 0.433 373 T N -0.617 114.015 114.554 0.131 0.000 2.746 373 T HA -0.148 4.203 4.350 0.000 0.000 0.267 373 T C 1.761 176.526 174.700 0.108 0.000 1.039 373 T CA 1.257 63.439 62.100 0.137 0.000 1.142 373 T CB -0.279 68.704 68.868 0.191 0.000 0.866 373 T HN 0.270 nan 8.240 nan 0.000 0.444 374 N N 1.176 119.958 118.700 0.137 0.000 2.188 374 N HA -0.000 4.740 4.740 0.000 0.000 0.184 374 N C 2.199 177.757 175.510 0.078 0.000 1.018 374 N CA 1.231 54.345 53.050 0.107 0.000 0.858 374 N CB -0.396 38.171 38.487 0.134 0.000 0.989 374 N HN 0.431 nan 8.380 nan 0.000 0.426 375 A N 1.564 124.426 122.820 0.071 0.000 1.883 375 A HA -0.108 4.212 4.320 0.000 0.000 0.217 375 A C 2.320 179.929 177.584 0.042 0.000 1.186 375 A CA 0.984 53.051 52.037 0.050 0.000 0.624 375 A CB -0.684 18.336 19.000 0.033 0.000 0.822 375 A HN 0.220 nan 8.150 nan 0.000 0.444 376 I N -0.570 120.026 120.570 0.043 0.000 2.226 376 I HA -0.283 3.887 4.170 0.000 0.000 0.245 376 I C 2.589 178.730 176.117 0.039 0.000 1.100 376 I CA 1.930 63.252 61.300 0.037 0.000 1.374 376 I CB -0.335 37.693 38.000 0.048 0.000 1.057 376 I HN 0.425 nan 8.210 nan 0.000 0.413 377 K N 1.078 121.508 120.400 0.051 0.000 2.009 377 K HA -0.235 4.085 4.320 0.000 0.000 0.210 377 K C 1.720 178.353 176.600 0.055 0.000 1.049 377 K CA 2.102 58.422 56.287 0.055 0.000 0.929 377 K CB -0.088 32.446 32.500 0.057 0.000 0.714 377 K HN 0.221 nan 8.250 nan 0.000 0.440 378 D N 0.544 120.974 120.400 0.051 0.000 2.104 378 D HA -0.182 4.458 4.640 0.000 0.000 0.194 378 D C 1.859 178.186 176.300 0.045 0.000 0.994 378 D CA 1.548 55.576 54.000 0.047 0.000 0.830 378 D CB -0.433 40.394 40.800 0.045 0.000 0.959 378 D HN 0.391 nan 8.370 nan 0.000 0.452 379 A N 0.792 123.634 122.820 0.036 0.000 1.908 379 A HA -0.160 4.160 4.320 0.000 0.000 0.218 379 A C 2.445 180.043 177.584 0.024 0.000 1.181 379 A CA 1.103 53.155 52.037 0.026 0.000 0.627 379 A CB -0.854 18.155 19.000 0.014 0.000 0.818 379 A HN 0.219 nan 8.150 nan 0.000 0.445 380 L N -1.144 120.095 121.223 0.027 0.000 2.093 380 L HA -0.160 4.181 4.340 0.000 0.000 0.208 380 L C 2.968 179.925 176.870 0.145 0.000 1.085 380 L CA 1.069 55.939 54.840 0.049 0.000 0.755 380 L CB -0.389 41.714 42.059 0.073 0.000 0.904 380 L HN 0.440 nan 8.230 nan 0.000 0.435 381 A N -0.151 122.732 122.820 0.106 0.000 2.072 381 A HA 0.263 4.583 4.320 0.000 0.000 0.216 381 A C 1.410 179.042 177.584 0.079 0.000 1.156 381 A CA 0.586 52.682 52.037 0.097 0.000 0.701 381 A CB -0.412 18.630 19.000 0.070 0.000 0.816 381 A HN 0.295 nan 8.150 nan 0.000 0.458 382 A N -0.586 122.275 122.820 0.067 0.000 2.448 382 A HA 0.486 4.806 4.320 0.000 0.000 0.239 382 A C 0.977 178.597 177.584 0.060 0.000 1.080 382 A CA 0.645 52.714 52.037 0.054 0.000 0.779 382 A CB -0.605 18.422 19.000 0.043 0.000 1.026 382 A HN 1.054 nan 8.150 nan 0.000 0.499 383 T N 0.000 114.582 114.554 0.047 0.000 3.816 383 T HA 0.000 4.350 4.350 0.000 0.000 0.228 383 T CA 0.000 62.127 62.100 0.045 0.000 1.349 383 T CB 0.000 68.896 68.868 0.046 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658