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 1nwt_1_A 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 0.000 175.888 175.900 -0.020 0.000 1.272 22 Y CA 0.000 58.092 58.100 -0.013 0.000 1.940 22 Y CB 0.000 38.454 38.460 -0.010 0.000 1.050 23 K N 1.904 122.371 120.400 0.111 0.000 2.174 23 K HA 0.584 4.904 4.320 0.001 0.000 0.275 23 K C -1.213 175.369 176.600 -0.031 0.000 1.015 23 K CA -0.808 55.461 56.287 -0.029 0.000 0.933 23 K CB 1.304 33.615 32.500 -0.315 0.000 1.025 23 K HN 0.424 nan 8.250 nan 0.000 0.463 24 L N 3.934 125.156 121.223 -0.002 0.000 2.433 24 L HA 0.216 4.557 4.340 0.001 0.000 0.256 24 L C -1.271 175.593 176.870 -0.012 0.000 1.063 24 L CA -0.592 54.250 54.840 0.003 0.000 0.922 24 L CB 1.227 43.309 42.059 0.038 0.000 1.238 24 L HN 0.276 nan 8.230 nan 0.000 0.466 25 V N 3.272 123.130 119.914 -0.093 0.000 2.439 25 V HA 0.247 4.368 4.120 0.001 0.000 0.271 25 V C 0.127 176.220 176.094 -0.002 0.000 1.040 25 V CA -0.126 62.120 62.300 -0.090 0.000 1.002 25 V CB 0.525 32.239 31.823 -0.183 0.000 1.000 25 V HN 0.794 nan 8.190 nan 0.000 0.477 26 c N 5.433 124.017 118.600 -0.027 0.000 2.408 26 c HA 0.611 5.181 4.570 0.001 0.000 0.321 26 c C -0.253 173.791 174.090 -0.076 0.000 1.245 26 c CA -1.217 55.114 56.329 0.002 0.000 1.523 26 c CB 0.597 43.099 42.510 -0.014 0.000 2.178 26 c HN 0.748 nan 8.230 nan 0.000 0.488 27 Y N 1.117 121.408 120.300 -0.015 0.000 2.320 27 Y HA 0.494 5.044 4.550 0.001 0.000 0.324 27 Y C -0.090 175.602 175.900 -0.347 0.000 1.190 27 Y CA 0.033 58.032 58.100 -0.168 0.000 1.215 27 Y CB 0.795 39.104 38.460 -0.251 0.000 1.221 27 Y HN 0.705 nan 8.280 nan 0.000 0.486 28 Y N 2.178 122.263 120.300 -0.357 0.000 2.406 28 Y HA 0.455 5.005 4.550 0.001 0.000 0.340 28 Y C -0.579 174.821 175.900 -0.834 0.000 0.975 28 Y CA -1.227 56.554 58.100 -0.531 0.000 1.056 28 Y CB 1.381 39.627 38.460 -0.357 0.000 1.210 28 Y HN 0.636 nan 8.280 nan 0.000 0.448 29 T N 1.224 114.653 114.554 -1.874 0.000 2.795 29 T HA 0.279 4.630 4.350 0.001 0.000 0.282 29 T C 0.944 174.397 174.700 -2.079 0.000 0.980 29 T CA -0.078 60.749 62.100 -2.121 0.000 1.012 29 T CB 1.310 68.535 68.868 -2.738 0.000 0.936 29 T HN 0.765 nan 8.240 nan 0.000 0.457 30 S N 1.685 116.535 115.700 -1.418 0.000 2.474 30 S HA -0.098 4.372 4.470 0.001 0.000 0.235 30 S C 1.391 175.706 174.600 -0.474 0.000 0.997 30 S CA 0.468 58.220 58.200 -0.746 0.000 0.949 30 S CB -0.894 62.170 63.200 -0.227 0.000 0.766 30 S HN 1.011 nan 8.310 nan 0.000 0.517 31 W N 2.186 123.262 121.300 -0.373 0.000 3.290 31 W HA 0.410 5.070 4.660 0.001 0.000 0.287 31 W C 1.715 178.102 176.519 -0.220 0.000 1.288 31 W CA 0.034 57.288 57.345 -0.151 0.000 1.725 31 W CB -0.734 28.753 29.460 0.045 0.000 1.103 31 W HN 0.278 nan 8.180 nan 0.000 0.670 32 S N 0.983 116.288 115.700 -0.660 0.000 2.481 32 S HA -0.265 4.206 4.470 0.001 0.000 0.231 32 S C 1.789 176.164 174.600 -0.376 0.000 0.996 32 S CA 1.087 59.016 58.200 -0.452 0.000 0.942 32 S CB -0.805 62.008 63.200 -0.646 0.000 0.768 32 S HN 0.681 nan 8.310 nan 0.000 0.520 33 Q N 0.141 119.560 119.800 -0.635 0.000 2.226 33 Q HA -0.129 4.212 4.340 0.001 0.000 0.204 33 Q C 0.983 176.753 176.000 -0.383 0.000 0.975 33 Q CA 1.281 56.568 55.803 -0.861 0.000 0.866 33 Q CB -0.827 27.062 28.738 -1.414 0.000 0.915 33 Q HN 0.682 nan 8.270 nan 0.000 0.440 34 Y N 1.005 121.315 120.300 0.017 0.000 2.529 34 Y HA 0.246 4.797 4.550 0.001 0.000 0.290 34 Y C 0.304 176.303 175.900 0.165 0.000 1.177 34 Y CA -0.347 57.838 58.100 0.142 0.000 1.305 34 Y CB 0.033 38.602 38.460 0.182 0.000 1.047 34 Y HN -0.021 nan 8.280 nan 0.000 0.522 35 R N 1.417 122.074 120.500 0.261 0.000 2.438 35 R HA 0.098 4.439 4.340 0.001 0.000 0.287 35 R C 0.307 176.800 176.300 0.322 0.000 1.077 35 R CA -0.338 55.940 56.100 0.297 0.000 1.034 35 R CB 0.510 30.988 30.300 0.296 0.000 0.993 35 R HN 0.304 nan 8.270 nan 0.000 0.459 36 E N 1.132 121.534 120.200 0.337 0.000 2.508 36 E HA -0.128 4.222 4.350 0.001 0.000 0.266 36 E C 1.134 177.979 176.600 0.407 0.000 1.010 36 E CA 0.867 57.458 56.400 0.318 0.000 0.955 36 E CB 0.386 30.224 29.700 0.230 0.000 0.946 36 E HN 0.783 nan 8.360 nan 0.000 0.454 37 G N 3.847 112.833 108.800 0.310 0.000 2.685 37 G HA2 -0.422 3.539 3.960 0.001 0.000 0.357 37 G HA3 -0.422 3.539 3.960 0.001 0.000 0.357 37 G C 0.575 175.623 174.900 0.247 0.000 1.272 37 G CA 0.755 46.026 45.100 0.285 0.000 0.972 37 G HN 0.765 nan 8.290 nan 0.000 0.550 38 D N 1.524 122.039 120.400 0.192 0.000 2.378 38 D HA 0.020 4.661 4.640 0.001 0.000 0.222 38 D C 2.307 178.510 176.300 -0.163 0.000 0.980 38 D CA 1.313 55.306 54.000 -0.012 0.000 0.907 38 D CB -0.734 40.010 40.800 -0.093 0.000 0.899 38 D HN 0.543 nan 8.370 nan 0.000 0.527 39 G N 0.378 109.128 108.800 -0.083 0.000 2.448 39 G HA2 -0.145 3.815 3.960 0.001 0.000 0.218 39 G HA3 -0.145 3.815 3.960 0.001 0.000 0.218 39 G C 0.870 175.914 174.900 0.239 0.000 1.135 39 G CA 0.012 45.098 45.100 -0.022 0.000 0.784 39 G HN 0.250 nan 8.290 nan 0.000 0.543 40 S N -0.432 115.414 115.700 0.244 0.000 2.525 40 S HA 0.243 4.713 4.470 0.001 0.000 0.285 40 S C -0.249 174.445 174.600 0.156 0.000 1.283 40 S CA -0.388 57.921 58.200 0.182 0.000 1.072 40 S CB 0.045 63.401 63.200 0.260 0.000 0.867 40 S HN 0.360 nan 8.310 nan 0.000 0.492 41 C N 7.361 126.572 119.300 -0.149 0.000 2.397 41 C HA 0.751 5.212 4.460 0.001 0.000 0.325 41 C C -1.092 173.746 174.990 -0.254 0.000 1.201 41 C CA -0.875 57.944 59.018 -0.332 0.000 1.377 41 C CB -0.698 26.486 27.740 -0.927 0.000 2.038 41 C HN 0.855 nan 8.230 nan 0.000 0.457 42 F N 5.484 125.383 119.950 -0.085 0.000 2.507 42 F HA 0.490 5.017 4.527 0.001 0.000 0.327 42 F C -1.373 174.273 175.800 -0.256 0.000 1.068 42 F CA -1.920 56.034 58.000 -0.075 0.000 0.965 42 F CB 1.369 40.339 39.000 -0.049 0.000 1.192 42 F HN 0.374 nan 8.300 nan 0.000 0.476 43 P HA -0.214 nan 4.420 nan 0.000 0.217 43 P C 0.935 178.111 177.300 -0.207 0.000 1.148 43 P CA 1.698 64.515 63.100 -0.471 0.000 0.834 43 P CB 0.021 31.533 31.700 -0.314 0.000 0.783 44 D N -0.842 119.520 120.400 -0.064 0.000 2.371 44 D HA -0.049 4.592 4.640 0.001 0.000 0.221 44 D C 1.327 177.631 176.300 0.007 0.000 0.986 44 D CA 0.723 54.700 54.000 -0.039 0.000 0.899 44 D CB -0.590 40.194 40.800 -0.026 0.000 0.902 44 D HN 0.140 nan 8.370 nan 0.000 0.530 45 A N 0.227 123.069 122.820 0.037 0.000 2.275 45 A HA 0.257 4.578 4.320 0.001 0.000 0.212 45 A C 1.107 178.818 177.584 0.211 0.000 1.201 45 A CA -0.335 51.783 52.037 0.135 0.000 0.843 45 A CB -0.163 18.944 19.000 0.177 0.000 0.873 45 A HN 0.208 nan 8.150 nan 0.000 0.492 46 L N 0.816 122.075 121.223 0.059 0.000 2.326 46 L HA 0.221 4.562 4.340 0.001 0.000 0.278 46 L C -0.210 176.608 176.870 -0.086 0.000 1.092 46 L CA -0.762 54.073 54.840 -0.009 0.000 0.810 46 L CB 0.855 42.803 42.059 -0.186 0.000 1.153 46 L HN 0.144 nan 8.230 nan 0.000 0.439 47 D N 2.897 123.172 120.400 -0.208 0.000 2.346 47 D HA 0.004 4.645 4.640 0.001 0.000 0.260 47 D C 1.293 177.468 176.300 -0.209 0.000 1.252 47 D CA -0.250 53.664 54.000 -0.143 0.000 0.895 47 D CB 0.926 41.637 40.800 -0.149 0.000 1.097 47 D HN 0.514 nan 8.370 nan 0.000 0.489 48 R N 2.797 123.150 120.500 -0.244 0.000 2.241 48 R HA -0.099 4.242 4.340 0.001 0.000 0.224 48 R C 0.855 176.867 176.300 -0.481 0.000 1.101 48 R CA 1.118 56.972 56.100 -0.411 0.000 0.995 48 R CB -0.291 29.667 30.300 -0.570 0.000 0.870 48 R HN 0.281 nan 8.270 nan 0.000 0.463 49 F N -0.144 119.757 119.950 -0.081 0.000 2.721 49 F HA 0.205 4.733 4.527 0.001 0.000 0.301 49 F C 1.582 177.340 175.800 -0.071 0.000 1.096 49 F CA -0.621 57.341 58.000 -0.063 0.000 1.308 49 F CB 0.105 39.081 39.000 -0.039 0.000 1.086 49 F HN -0.049 nan 8.300 nan 0.000 0.587 50 L N -0.263 120.971 121.223 0.017 0.000 1.976 50 L HA -0.086 4.254 4.340 0.001 0.000 0.209 50 L C 0.929 177.779 176.870 -0.033 0.000 1.071 50 L CA 1.437 56.248 54.840 -0.048 0.000 0.746 50 L CB -0.334 41.584 42.059 -0.235 0.000 0.890 50 L HN 0.084 nan 8.230 nan 0.000 0.432 51 c N -2.004 116.558 118.600 -0.063 0.000 2.423 51 c HA 0.509 5.080 4.570 0.001 0.000 0.378 51 c C 1.957 176.047 174.090 0.001 0.000 1.244 51 c CA 0.027 56.342 56.329 -0.023 0.000 1.978 51 c CB 1.239 43.724 42.510 -0.041 0.000 2.252 51 c HN 0.598 nan 8.230 nan 0.000 0.526 52 T N -2.347 112.243 114.554 0.060 0.000 3.039 52 T HA 0.127 4.477 4.350 0.001 0.000 0.250 52 T C 0.051 174.726 174.700 -0.042 0.000 1.052 52 T CA 0.876 63.015 62.100 0.065 0.000 1.125 52 T CB -0.197 68.797 68.868 0.211 0.000 0.908 52 T HN 0.770 nan 8.240 nan 0.000 0.473 53 H N -0.146 118.886 119.070 -0.063 0.000 2.782 53 H HA 0.634 5.191 4.556 0.001 0.000 0.347 53 H C -1.169 174.123 175.328 -0.059 0.000 1.038 53 H CA -1.023 54.998 56.048 -0.045 0.000 1.255 53 H CB 1.366 31.099 29.762 -0.048 0.000 1.623 53 H HN 0.202 nan 8.280 nan 0.000 0.525 54 I N 4.526 125.128 120.570 0.054 0.000 2.382 54 I HA 0.319 4.490 4.170 0.001 0.000 0.286 54 I C -0.365 175.783 176.117 0.051 0.000 1.002 54 I CA -0.434 60.871 61.300 0.008 0.000 1.135 54 I CB 1.191 39.176 38.000 -0.025 0.000 1.288 54 I HN 0.414 nan 8.210 nan 0.000 0.448 55 I N 6.218 126.756 120.570 -0.054 0.000 2.336 55 I HA 0.222 4.393 4.170 0.001 0.000 0.292 55 I C -0.642 175.525 176.117 0.084 0.000 0.991 55 I CA -0.765 60.513 61.300 -0.036 0.000 1.227 55 I CB 1.284 39.068 38.000 -0.359 0.000 1.366 55 I HN 0.456 nan 8.210 nan 0.000 0.466 56 Y N 5.345 125.688 120.300 0.071 0.000 2.336 56 Y HA 0.284 4.834 4.550 0.001 0.000 0.335 56 Y C -0.044 175.844 175.900 -0.021 0.000 1.046 56 Y CA 0.201 58.360 58.100 0.099 0.000 1.198 56 Y CB 1.002 39.596 38.460 0.223 0.000 1.182 56 Y HN 0.502 nan 8.280 nan 0.000 0.502 57 S N 6.347 121.748 115.700 -0.499 0.000 2.561 57 S HA 0.632 5.103 4.470 0.001 0.000 0.303 57 S C -1.411 172.844 174.600 -0.575 0.000 1.110 57 S CA -0.546 57.199 58.200 -0.759 0.000 1.034 57 S CB 0.742 63.071 63.200 -1.451 0.000 1.010 57 S HN 0.515 nan 8.310 nan 0.000 0.482 58 F N 0.898 120.877 119.950 0.048 0.000 2.640 58 F HA 0.789 5.316 4.527 0.001 0.000 0.324 58 F C 0.349 176.302 175.800 0.255 0.000 1.077 58 F CA -0.978 57.102 58.000 0.133 0.000 0.965 58 F CB 1.291 40.300 39.000 0.016 0.000 1.351 58 F HN 0.622 nan 8.300 nan 0.000 0.487 59 A N 1.316 124.436 122.820 0.501 0.000 2.295 59 A HA 0.620 4.940 4.320 0.001 0.000 0.318 59 A C -0.643 177.247 177.584 0.510 0.000 1.134 59 A CA -0.431 51.881 52.037 0.458 0.000 0.827 59 A CB 0.837 19.983 19.000 0.243 0.000 1.136 59 A HN 0.722 nan 8.150 nan 0.000 0.493 60 N N -0.472 118.553 118.700 0.541 0.000 2.530 60 N HA 0.650 5.391 4.740 0.001 0.000 0.283 60 N C -1.098 174.555 175.510 0.238 0.000 1.238 60 N CA -0.529 52.843 53.050 0.536 0.000 0.971 60 N CB 0.783 39.470 38.487 0.334 0.000 1.195 60 N HN 0.474 nan 8.380 nan 0.000 0.583 61 I N 0.677 121.368 120.570 0.202 0.000 2.503 61 I HA 0.216 4.387 4.170 0.001 0.000 0.282 61 I C -0.898 175.230 176.117 0.018 0.000 1.059 61 I CA -0.410 60.933 61.300 0.072 0.000 1.081 61 I CB 1.550 39.505 38.000 -0.075 0.000 1.210 61 I HN 0.232 nan 8.210 nan 0.000 0.450 62 S N 4.903 120.628 115.700 0.041 0.000 2.502 62 S HA 0.403 4.874 4.470 0.001 0.000 0.304 62 S C 0.325 174.965 174.600 0.067 0.000 1.097 62 S CA -0.505 57.702 58.200 0.012 0.000 1.045 62 S CB 1.158 64.355 63.200 -0.006 0.000 1.019 62 S HN 0.733 nan 8.310 nan 0.000 0.481 63 N N 2.727 121.451 118.700 0.040 0.000 2.735 63 N HA -0.156 4.584 4.740 0.001 0.000 0.248 63 N C -0.780 174.863 175.510 0.223 0.000 1.083 63 N CA 1.106 54.211 53.050 0.091 0.000 0.703 63 N CB -1.089 37.430 38.487 0.053 0.000 1.005 63 N HN 0.835 nan 8.380 nan 0.000 0.550 64 D N -2.483 117.988 120.400 0.119 0.000 3.012 64 D HA -0.200 4.441 4.640 0.001 0.000 0.222 64 D C -0.220 176.178 176.300 0.164 0.000 1.167 64 D CA 1.351 55.407 54.000 0.092 0.000 0.854 64 D CB -1.489 39.348 40.800 0.062 0.000 1.107 64 D HN 0.665 nan 8.370 nan 0.000 0.421 65 H N -0.456 118.685 119.070 0.119 0.000 2.524 65 H HA 0.574 5.130 4.556 0.001 0.000 0.353 65 H C 0.334 175.724 175.328 0.105 0.000 1.136 65 H CA -0.759 55.367 56.048 0.131 0.000 1.193 65 H CB 1.532 31.341 29.762 0.077 0.000 1.558 65 H HN 0.086 nan 8.280 nan 0.000 0.515 66 I N 1.992 122.639 120.570 0.128 0.000 2.588 66 I HA 0.104 4.274 4.170 0.001 0.000 0.283 66 I C -0.465 175.434 176.117 -0.364 0.000 1.119 66 I CA 0.677 61.927 61.300 -0.084 0.000 1.419 66 I CB 0.221 38.047 38.000 -0.290 0.000 1.394 66 I HN 0.711 nan 8.210 nan 0.000 0.562 67 D N 3.840 124.074 120.400 -0.277 0.000 2.615 67 D HA 0.323 4.964 4.640 0.001 0.000 0.267 67 D C -0.838 175.542 176.300 0.133 0.000 1.236 67 D CA -0.212 53.719 54.000 -0.114 0.000 0.839 67 D CB 1.717 42.562 40.800 0.076 0.000 1.380 67 D HN 0.618 nan 8.370 nan 0.000 0.433 68 T N -1.263 113.501 114.554 0.351 0.000 2.795 68 T HA 0.055 4.406 4.350 0.001 0.000 0.314 68 T C 0.350 175.274 174.700 0.373 0.000 1.069 68 T CA -0.285 62.050 62.100 0.391 0.000 1.071 68 T CB 0.864 69.876 68.868 0.241 0.000 0.988 68 T HN 0.545 nan 8.240 nan 0.000 0.543 69 W N 0.341 121.785 121.300 0.240 0.000 3.517 69 W HA 0.342 5.003 4.660 0.002 0.000 0.234 69 W C 0.350 177.011 176.519 0.237 0.000 0.972 69 W CA 0.072 57.566 57.345 0.249 0.000 2.002 69 W CB -0.052 29.603 29.460 0.325 0.000 1.018 69 W HN 0.647 nan 8.180 nan 0.000 0.712 70 E N 1.475 122.047 120.200 0.618 0.000 2.349 70 E HA 0.030 4.381 4.350 0.001 0.000 0.265 70 E C 1.404 178.153 176.600 0.249 0.000 1.064 70 E CA -0.120 56.558 56.400 0.464 0.000 0.886 70 E CB 0.156 30.056 29.700 0.333 0.000 1.036 70 E HN 0.216 nan 8.360 nan 0.000 0.413 71 W N 3.903 125.349 121.300 0.243 0.000 2.374 71 W HA -0.146 4.514 4.660 0.001 0.000 0.288 71 W C 0.489 177.086 176.519 0.130 0.000 1.218 71 W CA 1.265 58.707 57.345 0.161 0.000 1.245 71 W CB -0.554 28.998 29.460 0.154 0.000 1.126 71 W HN 0.494 nan 8.180 nan 0.000 0.545 72 N N 0.644 118.773 118.700 -0.951 0.000 2.273 72 N HA -0.049 4.691 4.740 0.001 0.000 0.231 72 N C 0.548 175.767 175.510 -0.484 0.000 1.134 72 N CA 0.142 52.653 53.050 -0.899 0.000 0.856 72 N CB -0.672 36.824 38.487 -1.651 0.000 1.068 72 N HN -0.094 nan 8.380 nan 0.000 0.510 73 D N 1.096 121.276 120.400 -0.367 0.000 2.116 73 D HA -0.127 4.514 4.640 0.001 0.000 0.193 73 D C 1.851 177.601 176.300 -0.917 0.000 0.998 73 D CA 1.060 54.746 54.000 -0.523 0.000 0.836 73 D CB 0.037 40.542 40.800 -0.493 0.000 0.951 73 D HN 0.084 nan 8.370 nan 0.000 0.449 74 V N 0.895 120.390 119.914 -0.698 0.000 2.324 74 V HA -0.283 3.838 4.120 0.001 0.000 0.250 74 V C 2.501 178.449 176.094 -0.242 0.000 1.060 74 V CA 2.106 64.124 62.300 -0.470 0.000 1.042 74 V CB -0.883 30.850 31.823 -0.150 0.000 0.650 74 V HN 0.240 nan 8.190 nan 0.000 0.450 75 T N 0.249 114.676 114.554 -0.213 0.000 2.737 75 T HA -0.047 4.304 4.350 0.001 0.000 0.265 75 T C 1.854 176.502 174.700 -0.086 0.000 1.038 75 T CA 1.364 63.392 62.100 -0.120 0.000 1.144 75 T CB -0.243 68.555 68.868 -0.117 0.000 0.866 75 T HN 0.320 nan 8.240 nan 0.000 0.434 76 L N -0.300 120.864 121.223 -0.099 0.000 2.141 76 L HA -0.064 4.276 4.340 0.001 0.000 0.209 76 L C 2.506 179.396 176.870 0.034 0.000 1.094 76 L CA 1.127 55.990 54.840 0.039 0.000 0.763 76 L CB -0.678 41.494 42.059 0.189 0.000 0.908 76 L HN 0.240 nan 8.230 nan 0.000 0.437 77 Y N 0.897 121.051 120.300 -0.243 0.000 2.070 77 Y HA -0.167 4.384 4.550 0.001 0.000 0.280 77 Y C 2.672 178.382 175.900 -0.317 0.000 1.148 77 Y CA 1.101 58.980 58.100 -0.369 0.000 1.125 77 Y CB -1.453 36.815 38.460 -0.320 0.000 0.975 77 Y HN 0.108 nan 8.280 nan 0.000 0.492 78 G N -0.782 107.999 108.800 -0.031 0.000 2.422 78 G HA2 -0.296 3.665 3.960 0.001 0.000 0.218 78 G HA3 -0.296 3.665 3.960 0.001 0.000 0.218 78 G C 1.862 176.705 174.900 -0.095 0.000 1.146 78 G CA 0.916 45.964 45.100 -0.086 0.000 0.769 78 G HN 0.374 nan 8.290 nan 0.000 0.547 79 M N -0.376 119.185 119.600 -0.065 0.000 2.213 79 M HA 0.019 4.500 4.480 0.001 0.000 0.263 79 M C 2.262 178.504 176.300 -0.096 0.000 1.062 79 M CA 1.134 56.396 55.300 -0.063 0.000 1.105 79 M CB -0.014 32.574 32.600 -0.019 0.000 1.385 79 M HN 0.305 nan 8.290 nan 0.000 0.417 80 L N 0.314 121.474 121.223 -0.105 0.000 2.102 80 L HA -0.046 4.295 4.340 0.001 0.000 0.202 80 L C 1.677 178.443 176.870 -0.172 0.000 1.076 80 L CA 1.743 56.502 54.840 -0.135 0.000 0.761 80 L CB -0.834 41.189 42.059 -0.060 0.000 0.921 80 L HN 0.244 nan 8.230 nan 0.000 0.444 81 N N -0.740 117.825 118.700 -0.224 0.000 2.520 81 N HA -0.112 4.629 4.740 0.001 0.000 0.185 81 N C 1.424 176.823 175.510 -0.184 0.000 1.068 81 N CA 1.313 54.216 53.050 -0.246 0.000 0.911 81 N CB -0.185 38.098 38.487 -0.339 0.000 0.961 81 N HN 0.444 nan 8.380 nan 0.000 0.446 82 T N 1.270 115.732 114.554 -0.155 0.000 2.995 82 T HA 0.101 4.452 4.350 0.001 0.000 0.269 82 T C 2.013 176.628 174.700 -0.142 0.000 1.091 82 T CA 0.207 62.229 62.100 -0.129 0.000 1.128 82 T CB 0.074 68.879 68.868 -0.105 0.000 0.891 82 T HN 0.186 nan 8.240 nan 0.000 0.492 83 L N 0.536 121.661 121.223 -0.163 0.000 2.353 83 L HA -0.041 4.300 4.340 0.001 0.000 0.220 83 L C 2.378 179.113 176.870 -0.226 0.000 1.133 83 L CA 1.120 55.840 54.840 -0.199 0.000 0.798 83 L CB -0.428 41.505 42.059 -0.209 0.000 0.922 83 L HN 0.178 nan 8.230 nan 0.000 0.445 84 K N -0.365 119.922 120.400 -0.188 0.000 2.432 84 K HA -0.031 4.290 4.320 0.001 0.000 0.196 84 K C 1.570 178.083 176.600 -0.144 0.000 1.038 84 K CA 0.175 56.358 56.287 -0.174 0.000 0.986 84 K CB 0.003 32.412 32.500 -0.153 0.000 0.782 84 K HN 0.325 nan 8.250 nan 0.000 0.485 85 N N 1.506 120.127 118.700 -0.131 0.000 2.039 85 N HA -0.148 4.592 4.740 0.001 0.000 0.193 85 N C 1.435 176.897 175.510 -0.080 0.000 1.044 85 N CA 1.385 54.379 53.050 -0.095 0.000 0.847 85 N CB -0.122 38.315 38.487 -0.082 0.000 1.030 85 N HN 0.190 nan 8.380 nan 0.000 0.422 86 R N 0.041 120.480 120.500 -0.102 0.000 2.299 86 R HA 0.114 4.455 4.340 0.001 0.000 0.197 86 R C 0.078 176.341 176.300 -0.061 0.000 0.971 86 R CA 0.162 56.231 56.100 -0.051 0.000 1.030 86 R CB 0.011 30.294 30.300 -0.030 0.000 0.932 86 R HN 0.073 nan 8.270 nan 0.000 0.477 87 N N 0.324 118.913 118.700 -0.185 0.000 2.727 87 N HA 0.175 4.916 4.740 0.001 0.000 0.252 87 N C -2.393 173.051 175.510 -0.110 0.000 1.283 87 N CA -2.188 50.757 53.050 -0.177 0.000 0.782 87 N CB 1.499 39.658 38.487 -0.548 0.000 1.199 87 N HN -0.238 nan 8.380 nan 0.000 0.520 88 P HA -0.030 nan 4.420 nan 0.000 0.218 88 P C 0.543 177.810 177.300 -0.055 0.000 1.146 88 P CA 1.116 64.187 63.100 -0.049 0.000 0.813 88 P CB 0.443 32.130 31.700 -0.022 0.000 0.778 89 N N -1.104 117.573 118.700 -0.039 0.000 2.354 89 N HA -0.031 4.710 4.740 0.001 0.000 0.179 89 N C 0.434 175.881 175.510 -0.105 0.000 1.021 89 N CA 0.138 53.158 53.050 -0.050 0.000 0.887 89 N CB -0.834 37.647 38.487 -0.010 0.000 0.974 89 N HN 0.078 nan 8.380 nan 0.000 0.437 90 L N 1.334 122.484 121.223 -0.122 0.000 2.601 90 L HA 0.031 4.372 4.340 0.001 0.000 0.277 90 L C -0.037 176.722 176.870 -0.185 0.000 1.219 90 L CA 0.455 55.196 54.840 -0.165 0.000 0.915 90 L CB 0.116 42.065 42.059 -0.184 0.000 1.160 90 L HN -0.095 nan 8.230 nan 0.000 0.494 91 K N 2.697 122.937 120.400 -0.266 0.000 2.156 91 K HA 0.665 4.985 4.320 0.001 0.000 0.254 91 K C -0.703 175.839 176.600 -0.098 0.000 0.950 91 K CA -0.398 55.748 56.287 -0.234 0.000 0.849 91 K CB 1.735 33.964 32.500 -0.452 0.000 1.100 91 K HN 0.713 nan 8.250 nan 0.000 0.434 92 T N 2.653 117.210 114.554 0.007 0.000 2.876 92 T HA 0.668 5.019 4.350 0.001 0.000 0.289 92 T C -1.207 173.658 174.700 0.274 0.000 1.014 92 T CA -0.680 61.495 62.100 0.125 0.000 0.986 92 T CB 0.844 69.745 68.868 0.055 0.000 1.021 92 T HN 0.185 nan 8.240 nan 0.000 0.458 93 L N 2.384 123.790 121.223 0.304 0.000 2.371 93 L HA 0.689 5.029 4.340 0.001 0.000 0.262 93 L C -1.210 175.655 176.870 -0.008 0.000 1.006 93 L CA -0.871 54.089 54.840 0.200 0.000 0.818 93 L CB 1.837 44.004 42.059 0.181 0.000 1.354 93 L HN 0.439 nan 8.230 nan 0.000 0.415 94 L N 1.087 122.102 121.223 -0.348 0.000 2.287 94 L HA 0.658 4.999 4.340 0.001 0.000 0.287 94 L C -0.117 176.720 176.870 -0.055 0.000 1.022 94 L CA 0.229 54.745 54.840 -0.541 0.000 0.814 94 L CB 1.477 42.844 42.059 -1.154 0.000 1.217 94 L HN 0.596 nan 8.230 nan 0.000 0.420 95 S N 3.851 119.639 115.700 0.147 0.000 2.525 95 S HA 0.648 5.118 4.470 0.001 0.000 0.278 95 S C -0.862 174.001 174.600 0.438 0.000 1.234 95 S CA -0.493 57.920 58.200 0.355 0.000 1.058 95 S CB 1.169 64.706 63.200 0.561 0.000 0.983 95 S HN 0.635 nan 8.310 nan 0.000 0.495 96 V N 5.730 125.875 119.914 0.386 0.000 2.448 96 V HA 0.832 4.952 4.120 0.001 0.000 0.295 96 V C 0.626 176.793 176.094 0.122 0.000 1.025 96 V CA 1.072 63.516 62.300 0.240 0.000 0.859 96 V CB 0.561 32.504 31.823 0.201 0.000 0.988 96 V HN 1.339 nan 8.190 nan 0.000 0.431 97 G N 4.404 112.999 108.800 -0.341 0.000 2.436 97 G HA2 0.490 4.451 3.960 0.001 0.000 0.205 97 G HA3 0.490 4.451 3.960 0.001 0.000 0.205 97 G C 0.722 175.085 174.900 -0.895 0.000 1.188 97 G CA 0.236 45.012 45.100 -0.540 0.000 1.267 97 G HN 2.617 nan 8.290 nan 0.000 0.536 98 G N -1.866 106.389 108.800 -0.909 0.000 2.663 98 G HA2 0.077 4.038 3.960 0.001 0.000 0.686 98 G HA3 0.077 4.038 3.960 0.001 0.000 0.686 98 G C 0.679 175.346 174.900 -0.390 0.000 1.288 98 G CA 0.487 44.833 45.100 -1.256 0.000 0.836 98 G HN 1.841 nan 8.290 nan 0.000 0.584 99 W N 0.635 121.716 121.300 -0.364 0.000 2.355 99 W HA -0.102 4.559 4.660 0.002 0.000 0.309 99 W C 1.769 178.198 176.519 -0.150 0.000 1.206 99 W CA 1.859 59.063 57.345 -0.234 0.000 1.284 99 W CB -0.039 29.307 29.460 -0.190 0.000 1.145 99 W HN 0.535 nan 8.180 nan 0.000 0.502 100 N N 0.519 119.153 118.700 -0.110 0.000 2.575 100 N HA -0.086 4.655 4.740 0.001 0.000 0.192 100 N C 1.033 176.499 175.510 -0.073 0.000 1.200 100 N CA 0.613 53.584 53.050 -0.132 0.000 0.897 100 N CB -0.946 37.504 38.487 -0.060 0.000 0.990 100 N HN 0.141 nan 8.380 nan 0.000 0.449 101 F N 0.810 120.621 119.950 -0.232 0.000 2.187 101 F HA 0.208 4.736 4.527 0.001 0.000 0.295 101 F C 1.170 176.869 175.800 -0.169 0.000 1.091 101 F CA 1.061 58.992 58.000 -0.115 0.000 1.308 101 F CB 0.003 38.918 39.000 -0.142 0.000 1.030 101 F HN 0.067 nan 8.300 nan 0.000 0.487 102 G N 0.058 108.770 108.800 -0.146 0.000 3.322 102 G HA2 -0.168 3.792 3.960 0.001 0.000 0.686 102 G HA3 -0.168 3.792 3.960 0.001 0.000 0.686 102 G C 0.600 175.472 174.900 -0.047 0.000 1.015 102 G CA 0.048 45.012 45.100 -0.227 0.000 0.826 102 G HN 0.721 nan 8.290 nan 0.000 0.538 103 S N 1.161 116.854 115.700 -0.011 0.000 2.419 103 S HA -0.200 4.271 4.470 0.001 0.000 0.235 103 S C 2.101 176.760 174.600 0.098 0.000 1.019 103 S CA 1.875 60.189 58.200 0.190 0.000 0.982 103 S CB -0.121 63.246 63.200 0.278 0.000 0.789 103 S HN 0.756 nan 8.310 nan 0.000 0.490 104 Q N 2.017 121.808 119.800 -0.016 0.000 2.045 104 Q HA -0.113 4.228 4.340 0.001 0.000 0.206 104 Q C 2.522 178.461 176.000 -0.102 0.000 0.991 104 Q CA 1.795 57.567 55.803 -0.052 0.000 0.851 104 Q CB -0.581 28.096 28.738 -0.102 0.000 0.911 104 Q HN 0.718 nan 8.270 nan 0.000 0.418 105 R N -0.580 119.804 120.500 -0.193 0.000 2.073 105 R HA -0.086 4.254 4.340 0.001 0.000 0.234 105 R C 2.336 178.506 176.300 -0.217 0.000 1.134 105 R CA 1.069 57.016 56.100 -0.255 0.000 0.952 105 R CB -0.685 29.312 30.300 -0.504 0.000 0.850 105 R HN 0.171 nan 8.270 nan 0.000 0.433 106 F N 1.711 121.479 119.950 -0.303 0.000 2.126 106 F HA -0.217 4.311 4.527 0.001 0.000 0.299 106 F C 2.912 178.203 175.800 -0.849 0.000 1.096 106 F CA 1.543 59.085 58.000 -0.762 0.000 1.255 106 F CB -0.645 37.441 39.000 -1.525 0.000 0.997 106 F HN -0.005 nan 8.300 nan 0.000 0.479 107 S N -0.175 115.356 115.700 -0.281 0.000 2.353 107 S HA -0.237 4.234 4.470 0.001 0.000 0.222 107 S C 2.165 176.767 174.600 0.002 0.000 1.035 107 S CA 1.616 59.839 58.200 0.038 0.000 1.025 107 S CB -0.284 63.049 63.200 0.221 0.000 0.902 107 S HN 0.348 nan 8.310 nan 0.000 0.440 108 K N 0.213 120.581 120.400 -0.053 0.000 2.152 108 K HA -0.058 4.263 4.320 0.001 0.000 0.206 108 K C 1.954 178.498 176.600 -0.093 0.000 1.048 108 K CA 1.570 57.820 56.287 -0.061 0.000 0.933 108 K CB -0.305 32.148 32.500 -0.078 0.000 0.721 108 K HN 0.499 nan 8.250 nan 0.000 0.447 109 I N 0.147 120.625 120.570 -0.153 0.000 2.400 109 I HA -0.133 4.037 4.170 0.001 0.000 0.248 109 I C 2.299 178.351 176.117 -0.109 0.000 1.109 109 I CA 0.761 61.955 61.300 -0.176 0.000 1.425 109 I CB -0.161 37.625 38.000 -0.356 0.000 1.094 109 I HN 0.039 nan 8.210 nan 0.000 0.425 110 A N -0.561 122.214 122.820 -0.074 0.000 2.123 110 A HA -0.063 4.258 4.320 0.001 0.000 0.214 110 A C 2.369 179.932 177.584 -0.034 0.000 1.152 110 A CA 1.338 53.407 52.037 0.055 0.000 0.728 110 A CB -0.320 18.840 19.000 0.267 0.000 0.814 110 A HN 0.336 nan 8.150 nan 0.000 0.464 111 S N 0.202 115.841 115.700 -0.102 0.000 2.388 111 S HA -0.035 4.436 4.470 0.001 0.000 0.223 111 S C 0.978 175.426 174.600 -0.254 0.000 1.034 111 S CA 0.045 58.039 58.200 -0.344 0.000 0.963 111 S CB -0.380 62.771 63.200 -0.082 0.000 0.827 111 S HN 0.595 nan 8.310 nan 0.000 0.481 112 N N 1.455 120.084 118.700 -0.119 0.000 2.442 112 N HA 0.077 4.817 4.740 0.001 0.000 0.265 112 N C 0.586 176.060 175.510 -0.060 0.000 1.138 112 N CA 0.372 53.376 53.050 -0.075 0.000 0.956 112 N CB 1.313 39.772 38.487 -0.048 0.000 1.067 112 N HN 0.217 nan 8.380 nan 0.000 0.474 113 T N 3.549 118.073 114.554 -0.050 0.000 2.803 113 T HA -0.187 4.164 4.350 0.001 0.000 0.269 113 T C 1.522 176.216 174.700 -0.010 0.000 1.052 113 T CA 1.551 63.634 62.100 -0.028 0.000 1.136 113 T CB 0.114 68.971 68.868 -0.018 0.000 0.864 113 T HN 0.596 nan 8.240 nan 0.000 0.467 114 Q N 0.698 120.494 119.800 -0.008 0.000 2.049 114 Q HA 0.051 4.391 4.340 0.001 0.000 0.198 114 Q C 2.780 178.784 176.000 0.008 0.000 0.971 114 Q CA 1.283 57.087 55.803 0.002 0.000 0.833 114 Q CB -0.214 28.527 28.738 0.004 0.000 0.896 114 Q HN 0.350 nan 8.270 nan 0.000 0.434 115 S N 0.425 116.125 115.700 0.001 0.000 2.382 115 S HA -0.169 4.302 4.470 0.001 0.000 0.228 115 S C 1.793 176.416 174.600 0.040 0.000 1.027 115 S CA 1.168 59.371 58.200 0.005 0.000 0.991 115 S CB -0.195 62.988 63.200 -0.028 0.000 0.823 115 S HN 0.274 nan 8.310 nan 0.000 0.469 116 R N 1.072 121.594 120.500 0.037 0.000 2.081 116 R HA -0.107 4.234 4.340 0.001 0.000 0.235 116 R C 2.466 178.829 176.300 0.105 0.000 1.131 116 R CA 1.429 57.586 56.100 0.094 0.000 0.960 116 R CB -0.121 30.210 30.300 0.053 0.000 0.856 116 R HN 0.121 nan 8.270 nan 0.000 0.436 117 R N 0.141 120.668 120.500 0.045 0.000 2.070 117 R HA -0.056 4.285 4.340 0.001 0.000 0.233 117 R C 1.938 178.240 176.300 0.003 0.000 1.137 117 R CA 2.499 58.611 56.100 0.020 0.000 0.945 117 R CB -1.025 29.281 30.300 0.009 0.000 0.845 117 R HN 0.187 nan 8.270 nan 0.000 0.430 118 T N 1.099 115.651 114.554 -0.004 0.000 2.635 118 T HA -0.180 4.170 4.350 0.001 0.000 0.267 118 T C 1.439 176.057 174.700 -0.137 0.000 1.040 118 T CA 1.718 63.765 62.100 -0.087 0.000 1.156 118 T CB -0.582 68.244 68.868 -0.070 0.000 0.863 118 T HN 0.271 nan 8.240 nan 0.000 0.430 119 F N 1.749 121.593 119.950 -0.177 0.000 2.043 119 F HA -0.109 4.418 4.527 0.001 0.000 0.297 119 F C 2.094 177.846 175.800 -0.081 0.000 1.121 119 F CA 0.993 58.907 58.000 -0.144 0.000 1.199 119 F CB -0.755 38.197 39.000 -0.080 0.000 0.968 119 F HN 0.110 nan 8.300 nan 0.000 0.478 120 I N 0.249 120.718 120.570 -0.168 0.000 2.163 120 I HA -0.365 3.805 4.170 0.001 0.000 0.243 120 I C 2.578 178.609 176.117 -0.144 0.000 1.085 120 I CA 1.939 63.103 61.300 -0.227 0.000 1.347 120 I CB -0.654 37.301 38.000 -0.076 0.000 1.044 120 I HN 0.170 nan 8.210 nan 0.000 0.408 121 K N 0.935 121.280 120.400 -0.093 0.000 2.097 121 K HA -0.196 4.125 4.320 0.001 0.000 0.206 121 K C 2.241 178.812 176.600 -0.049 0.000 1.049 121 K CA 1.826 58.085 56.287 -0.047 0.000 0.933 121 K CB -0.050 32.429 32.500 -0.035 0.000 0.717 121 K HN 0.393 nan 8.250 nan 0.000 0.442 122 S N -0.502 115.123 115.700 -0.125 0.000 2.481 122 S HA -0.048 4.423 4.470 0.001 0.000 0.231 122 S C 1.857 176.457 174.600 0.001 0.000 0.996 122 S CA 0.782 58.952 58.200 -0.050 0.000 0.942 122 S CB -0.088 63.026 63.200 -0.143 0.000 0.768 122 S HN 0.092 nan 8.310 nan 0.000 0.520 123 V N 3.003 122.857 119.914 -0.101 0.000 2.270 123 V HA -0.018 4.103 4.120 0.001 0.000 0.245 123 V C -0.262 175.868 176.094 0.061 0.000 1.043 123 V CA 1.674 63.952 62.300 -0.037 0.000 1.014 123 V CB -1.725 30.050 31.823 -0.079 0.000 0.645 123 V HN 0.360 nan 8.190 nan 0.000 0.447 124 P HA -0.112 nan 4.420 nan 0.000 0.214 124 P C -1.361 175.944 177.300 0.009 0.000 1.163 124 P CA 2.077 65.139 63.100 -0.063 0.000 0.889 124 P CB -1.256 30.416 31.700 -0.046 0.000 0.790 125 P HA -0.192 nan 4.420 nan 0.000 0.214 125 P C 1.521 178.883 177.300 0.104 0.000 1.163 125 P CA 1.170 64.310 63.100 0.066 0.000 0.889 125 P CB -0.544 31.213 31.700 0.095 0.000 0.790 126 F N -0.135 119.853 119.950 0.065 0.000 2.126 126 F HA -0.197 4.330 4.527 0.001 0.000 0.299 126 F C 1.989 177.916 175.800 0.211 0.000 1.096 126 F CA 1.509 59.610 58.000 0.168 0.000 1.255 126 F CB -0.690 38.426 39.000 0.193 0.000 0.997 126 F HN -0.232 nan 8.300 nan 0.000 0.479 127 L N -0.613 120.783 121.223 0.287 0.000 2.072 127 L HA -0.164 4.177 4.340 0.001 0.000 0.205 127 L C 2.650 179.570 176.870 0.083 0.000 1.079 127 L CA 0.804 55.778 54.840 0.223 0.000 0.752 127 L CB -0.630 41.485 42.059 0.094 0.000 0.906 127 L HN -0.006 nan 8.230 nan 0.000 0.436 128 R N -0.278 120.217 120.500 -0.008 0.000 2.075 128 R HA -0.075 4.266 4.340 0.001 0.000 0.232 128 R C 2.230 178.456 176.300 -0.124 0.000 1.126 128 R CA 1.518 57.580 56.100 -0.064 0.000 0.963 128 R CB -1.311 28.949 30.300 -0.066 0.000 0.858 128 R HN 0.294 nan 8.270 nan 0.000 0.435 129 T N 0.242 114.682 114.554 -0.190 0.000 2.759 129 T HA -0.128 4.223 4.350 0.001 0.000 0.269 129 T C 0.943 175.339 174.700 -0.507 0.000 1.042 129 T CA 1.513 63.389 62.100 -0.374 0.000 1.140 129 T CB -0.191 68.358 68.868 -0.532 0.000 0.864 129 T HN 0.500 nan 8.240 nan 0.000 0.455 130 H N -0.833 118.133 119.070 -0.173 0.000 2.594 130 H HA 0.436 4.993 4.556 0.001 0.000 0.279 130 H C 1.475 176.598 175.328 -0.341 0.000 1.042 130 H CA 0.095 56.030 56.048 -0.189 0.000 1.177 130 H CB 0.357 30.049 29.762 -0.116 0.000 1.524 130 H HN 0.375 nan 8.280 nan 0.000 0.537 131 G N 0.429 109.113 108.800 -0.193 0.000 2.160 131 G HA2 -0.293 3.668 3.960 0.001 0.000 0.244 131 G HA3 -0.293 3.668 3.960 0.001 0.000 0.244 131 G C -0.310 174.376 174.900 -0.358 0.000 1.022 131 G CA -0.249 44.690 45.100 -0.267 0.000 0.741 131 G HN 0.208 nan 8.290 nan 0.000 0.508 132 F N 0.269 120.154 119.950 -0.109 0.000 2.379 132 F HA 0.471 4.999 4.527 0.001 0.000 0.332 132 F C 1.270 177.019 175.800 -0.085 0.000 1.096 132 F CA -0.822 57.117 58.000 -0.102 0.000 1.105 132 F CB 1.121 40.058 39.000 -0.105 0.000 1.189 132 F HN -0.034 nan 8.300 nan 0.000 0.515 133 D N 0.962 121.454 120.400 0.154 0.000 2.354 133 D HA 0.232 4.872 4.640 0.001 0.000 0.209 133 D C 0.808 177.142 176.300 0.056 0.000 1.015 133 D CA 0.580 54.617 54.000 0.062 0.000 0.867 133 D CB 0.679 41.506 40.800 0.045 0.000 0.933 133 D HN 0.647 nan 8.370 nan 0.000 0.520 134 G N 0.155 109.013 108.800 0.096 0.000 2.441 134 G HA2 0.402 4.363 3.960 0.001 0.000 0.294 134 G HA3 0.402 4.363 3.960 0.001 0.000 0.294 134 G C -2.250 172.704 174.900 0.089 0.000 1.393 134 G CA -0.758 44.383 45.100 0.069 0.000 0.796 134 G HN 0.047 nan 8.290 nan 0.000 0.494 135 L N 0.198 121.532 121.223 0.185 0.000 2.346 135 L HA 0.855 5.196 4.340 0.001 0.000 0.274 135 L C -1.220 175.739 176.870 0.148 0.000 1.007 135 L CA -0.667 54.277 54.840 0.174 0.000 0.818 135 L CB 2.157 44.392 42.059 0.295 0.000 1.284 135 L HN 0.601 nan 8.230 nan 0.000 0.424 136 D N 3.621 124.112 120.400 0.152 0.000 2.408 136 D HA 0.383 5.024 4.640 0.001 0.000 0.243 136 D C -1.274 175.176 176.300 0.251 0.000 1.075 136 D CA -0.148 53.954 54.000 0.170 0.000 0.832 136 D CB 0.975 41.916 40.800 0.235 0.000 1.162 136 D HN 0.544 nan 8.370 nan 0.000 0.515 137 L N 3.155 124.507 121.223 0.215 0.000 2.278 137 L HA 0.593 4.933 4.340 0.001 0.000 0.287 137 L C 0.245 177.281 176.870 0.276 0.000 1.072 137 L CA -0.672 54.332 54.840 0.273 0.000 0.819 137 L CB 1.391 43.588 42.059 0.231 0.000 1.176 137 L HN 0.589 nan 8.230 nan 0.000 0.435 138 A N 4.304 127.290 122.820 0.276 0.000 3.165 138 A HA 0.180 4.501 4.320 0.001 0.000 0.331 138 A C -0.959 176.677 177.584 0.087 0.000 1.034 138 A CA -0.437 51.725 52.037 0.209 0.000 0.906 138 A CB -0.049 19.125 19.000 0.290 0.000 1.054 138 A HN 0.709 nan 8.150 nan 0.000 0.484 139 W N 3.696 124.816 121.300 -0.301 0.000 2.433 139 W HA 0.532 5.193 4.660 0.001 0.000 0.331 139 W C -1.360 174.946 176.519 -0.355 0.000 1.110 139 W CA -1.243 55.742 57.345 -0.601 0.000 1.450 139 W CB 0.249 29.062 29.460 -1.078 0.000 1.348 139 W HN 0.360 nan 8.180 nan 0.000 0.415 140 L N 9.027 130.241 121.223 -0.014 0.000 2.313 140 L HA 0.389 4.730 4.340 0.001 0.000 0.273 140 L C -1.180 175.356 176.870 -0.557 0.000 1.028 140 L CA -0.719 53.695 54.840 -0.710 0.000 0.871 140 L CB -0.250 41.230 42.059 -0.965 0.000 1.242 140 L HN 0.231 nan 8.230 nan 0.000 0.434 141 Y N 1.568 121.874 120.300 0.009 0.000 2.597 141 Y HA 0.482 5.032 4.550 0.001 0.000 0.340 141 Y C -2.538 173.026 175.900 -0.560 0.000 1.097 141 Y CA -2.848 55.070 58.100 -0.304 0.000 1.037 141 Y CB 1.480 39.770 38.460 -0.284 0.000 1.305 141 Y HN 0.320 nan 8.280 nan 0.000 0.463 142 P HA 0.126 nan 4.420 nan 0.000 0.268 142 P C 0.227 177.271 177.300 -0.426 0.000 1.204 142 P CA 0.184 62.682 63.100 -1.003 0.000 0.768 142 P CB 0.657 31.519 31.700 -1.398 0.000 0.842 143 G N 1.891 110.584 108.800 -0.179 0.000 2.553 143 G HA2 0.330 4.291 3.960 0.001 0.000 0.278 143 G HA3 0.330 4.291 3.960 0.001 0.000 0.278 143 G C 1.318 176.114 174.900 -0.173 0.000 1.349 143 G CA -0.144 44.878 45.100 -0.129 0.000 1.037 143 G HN 0.455 nan 8.290 nan 0.000 0.508 144 R N -1.416 119.003 120.500 -0.136 0.000 2.189 144 R HA 0.087 4.428 4.340 0.001 0.000 0.223 144 R C 2.573 178.802 176.300 -0.117 0.000 1.092 144 R CA 2.043 58.063 56.100 -0.133 0.000 0.989 144 R CB -1.411 28.828 30.300 -0.102 0.000 0.876 144 R HN 0.810 nan 8.270 nan 0.000 0.457 145 R N 1.042 121.488 120.500 -0.090 0.000 2.307 145 R HA 0.049 4.389 4.340 0.001 0.000 0.199 145 R C 1.058 177.289 176.300 -0.114 0.000 1.000 145 R CA 1.134 57.189 56.100 -0.075 0.000 1.023 145 R CB -0.386 29.904 30.300 -0.015 0.000 0.908 145 R HN 0.607 nan 8.270 nan 0.000 0.473 146 D N -1.293 119.038 120.400 -0.115 0.000 2.500 146 D HA 0.062 4.702 4.640 0.001 0.000 0.217 146 D C 1.056 177.267 176.300 -0.148 0.000 1.159 146 D CA -0.099 53.849 54.000 -0.086 0.000 0.828 146 D CB 0.515 41.391 40.800 0.127 0.000 1.039 146 D HN 0.447 nan 8.370 nan 0.000 0.512 147 K N 0.962 121.255 120.400 -0.177 0.000 2.059 147 K HA -0.254 4.066 4.320 0.001 0.000 0.212 147 K C 1.732 178.330 176.600 -0.005 0.000 1.050 147 K CA 1.548 57.769 56.287 -0.111 0.000 0.927 147 K CB 0.342 32.775 32.500 -0.111 0.000 0.714 147 K HN -0.129 nan 8.250 nan 0.000 0.447 148 Q N -0.651 119.109 119.800 -0.067 0.000 2.137 148 Q HA -0.073 4.268 4.340 0.001 0.000 0.198 148 Q C 1.958 178.035 176.000 0.129 0.000 0.960 148 Q CA 1.401 57.205 55.803 0.002 0.000 0.847 148 Q CB -0.148 28.564 28.738 -0.045 0.000 0.915 148 Q HN 0.461 nan 8.270 nan 0.000 0.448 149 H N -1.139 118.007 119.070 0.128 0.000 2.387 149 H HA -0.119 4.437 4.556 0.001 0.000 0.299 149 H C 1.608 177.089 175.328 0.254 0.000 1.099 149 H CA 1.110 57.271 56.048 0.189 0.000 1.315 149 H CB -0.546 29.373 29.762 0.262 0.000 1.380 149 H HN 0.223 nan 8.280 nan 0.000 0.513 150 F N 1.603 121.646 119.950 0.155 0.000 2.171 150 F HA -0.185 4.343 4.527 0.001 0.000 0.300 150 F C 2.214 178.056 175.800 0.070 0.000 1.090 150 F CA 1.465 59.502 58.000 0.062 0.000 1.293 150 F CB -0.423 38.439 39.000 -0.229 0.000 1.013 150 F HN 0.007 nan 8.300 nan 0.000 0.486 151 T N -0.695 113.894 114.554 0.058 0.000 2.737 151 T HA -0.161 4.190 4.350 0.001 0.000 0.265 151 T C 1.912 176.564 174.700 -0.080 0.000 1.038 151 T CA 2.051 64.124 62.100 -0.045 0.000 1.144 151 T CB -0.617 68.274 68.868 0.039 0.000 0.866 151 T HN 0.264 nan 8.240 nan 0.000 0.434 152 T N 2.643 117.202 114.554 0.009 0.000 2.684 152 T HA -0.071 4.280 4.350 0.001 0.000 0.267 152 T C 1.910 176.579 174.700 -0.053 0.000 1.036 152 T CA 1.028 63.122 62.100 -0.010 0.000 1.148 152 T CB -0.541 68.370 68.868 0.071 0.000 0.863 152 T HN 0.133 nan 8.240 nan 0.000 0.436 153 L N 1.161 122.387 121.223 0.006 0.000 1.990 153 L HA -0.049 4.291 4.340 0.001 0.000 0.213 153 L C 2.194 178.989 176.870 -0.125 0.000 1.072 153 L CA 1.680 56.530 54.840 0.015 0.000 0.755 153 L CB -0.724 41.431 42.059 0.161 0.000 0.889 153 L HN 0.281 nan 8.230 nan 0.000 0.432 154 I N -0.517 119.899 120.570 -0.257 0.000 2.226 154 I HA -0.312 3.859 4.170 0.001 0.000 0.245 154 I C 2.615 178.527 176.117 -0.341 0.000 1.100 154 I CA 1.646 62.754 61.300 -0.321 0.000 1.374 154 I CB -0.481 37.274 38.000 -0.408 0.000 1.057 154 I HN 0.381 nan 8.210 nan 0.000 0.413 155 K N 1.335 121.484 120.400 -0.418 0.000 2.032 155 K HA -0.227 4.094 4.320 0.001 0.000 0.209 155 K C 1.911 178.255 176.600 -0.426 0.000 1.048 155 K CA 1.805 57.667 56.287 -0.709 0.000 0.927 155 K CB -0.040 32.100 32.500 -0.599 0.000 0.712 155 K HN 0.353 nan 8.250 nan 0.000 0.441 156 E N 0.077 120.119 120.200 -0.264 0.000 2.107 156 E HA -0.175 4.175 4.350 0.001 0.000 0.191 156 E C 1.951 178.425 176.600 -0.210 0.000 0.982 156 E CA 1.048 57.340 56.400 -0.179 0.000 0.809 156 E CB -0.071 29.567 29.700 -0.102 0.000 0.756 156 E HN 0.240 nan 8.360 nan 0.000 0.459 157 M N 1.330 120.760 119.600 -0.283 0.000 2.159 157 M HA -0.162 4.318 4.480 0.001 0.000 0.263 157 M C 1.974 177.848 176.300 -0.709 0.000 1.063 157 M CA 1.579 56.594 55.300 -0.475 0.000 1.110 157 M CB 0.066 32.367 32.600 -0.500 0.000 1.374 157 M HN -0.216 nan 8.290 nan 0.000 0.411 158 K N 0.088 120.198 120.400 -0.483 0.000 2.155 158 K HA 0.123 4.443 4.320 0.001 0.000 0.203 158 K C 1.767 178.294 176.600 -0.123 0.000 1.052 158 K CA 1.536 57.636 56.287 -0.313 0.000 0.948 158 K CB -0.679 31.740 32.500 -0.136 0.000 0.728 158 K HN 0.364 nan 8.250 nan 0.000 0.448 159 A N 0.610 123.353 122.820 -0.129 0.000 1.877 159 A HA -0.188 4.133 4.320 0.001 0.000 0.216 159 A C 2.157 179.745 177.584 0.008 0.000 1.186 159 A CA 2.024 54.033 52.037 -0.046 0.000 0.620 159 A CB -0.754 18.206 19.000 -0.067 0.000 0.822 159 A HN 0.460 nan 8.150 nan 0.000 0.443 160 E N -0.620 119.578 120.200 -0.003 0.000 2.051 160 E HA -0.159 4.191 4.350 0.001 0.000 0.192 160 E C 1.627 178.377 176.600 0.249 0.000 0.991 160 E CA 1.407 57.864 56.400 0.094 0.000 0.799 160 E CB -0.445 29.307 29.700 0.085 0.000 0.748 160 E HN 0.491 nan 8.360 nan 0.000 0.449 161 F N 0.520 120.456 119.950 -0.022 0.000 2.126 161 F HA -0.129 4.399 4.527 0.001 0.000 0.299 161 F C 2.271 178.071 175.800 0.000 0.000 1.096 161 F CA 0.830 58.824 58.000 -0.010 0.000 1.255 161 F CB -0.869 38.126 39.000 -0.008 0.000 0.997 161 F HN 0.112 nan 8.300 nan 0.000 0.479 162 I N -0.206 120.487 120.570 0.205 0.000 2.179 162 I HA -0.321 3.850 4.170 0.001 0.000 0.242 162 I C 2.576 178.742 176.117 0.080 0.000 1.088 162 I CA 1.438 62.807 61.300 0.115 0.000 1.357 162 I CB -0.489 37.560 38.000 0.082 0.000 1.051 162 I HN 0.078 nan 8.210 nan 0.000 0.409 163 K N 1.019 121.465 120.400 0.077 0.000 2.032 163 K HA -0.266 4.055 4.320 0.001 0.000 0.209 163 K C 2.181 178.808 176.600 0.046 0.000 1.048 163 K CA 1.639 57.958 56.287 0.053 0.000 0.927 163 K CB -0.190 32.338 32.500 0.047 0.000 0.712 163 K HN 0.148 nan 8.250 nan 0.000 0.441 164 E N 0.198 120.433 120.200 0.057 0.000 2.267 164 E HA -0.168 4.183 4.350 0.001 0.000 0.197 164 E C 0.982 177.588 176.600 0.010 0.000 0.998 164 E CA 1.294 57.711 56.400 0.028 0.000 0.830 164 E CB 0.086 29.794 29.700 0.015 0.000 0.751 164 E HN 0.447 nan 8.360 nan 0.000 0.491 165 A N -0.387 122.446 122.820 0.021 0.000 2.390 165 A HA 0.236 4.557 4.320 0.001 0.000 0.232 165 A C 2.056 179.650 177.584 0.017 0.000 1.233 165 A CA 0.802 52.846 52.037 0.012 0.000 0.907 165 A CB -0.133 18.876 19.000 0.014 0.000 0.967 165 A HN 0.302 nan 8.150 nan 0.000 0.512 166 Q N 1.384 121.198 119.800 0.023 0.000 2.156 166 Q HA -0.210 4.130 4.340 0.001 0.000 0.211 166 Q C 0.408 176.416 176.000 0.013 0.000 0.995 166 Q CA 2.222 58.038 55.803 0.021 0.000 0.877 166 Q CB -2.689 26.061 28.738 0.021 0.000 0.920 166 Q HN 0.707 nan 8.270 nan 0.000 0.416 167 P HA 0.073 nan 4.420 nan 0.000 0.225 167 P C 0.800 178.102 177.300 0.003 0.000 1.148 167 P CA 1.712 64.815 63.100 0.005 0.000 0.779 167 P CB 0.057 31.759 31.700 0.002 0.000 0.780 168 G N -0.904 107.898 108.800 0.003 0.000 2.276 168 G HA2 -0.115 3.846 3.960 0.001 0.000 0.177 168 G HA3 -0.115 3.846 3.960 0.001 0.000 0.177 168 G C 0.023 174.922 174.900 -0.002 0.000 1.017 168 G CA -0.610 44.491 45.100 0.002 0.000 0.750 168 G HN 0.288 nan 8.290 nan 0.000 0.506 169 K N 0.223 120.621 120.400 -0.004 0.000 2.120 169 K HA 0.392 4.713 4.320 0.001 0.000 0.245 169 K C 0.403 176.999 176.600 -0.008 0.000 1.024 169 K CA -0.476 55.804 56.287 -0.012 0.000 0.906 169 K CB 0.926 33.414 32.500 -0.020 0.000 1.051 169 K HN 0.113 nan 8.250 nan 0.000 0.491 170 K N 2.368 122.760 120.400 -0.014 0.000 2.262 170 K HA -0.038 4.282 4.320 0.001 0.000 0.288 170 K C -0.231 176.364 176.600 -0.009 0.000 1.090 170 K CA -0.016 56.267 56.287 -0.007 0.000 0.918 170 K CB 0.424 32.916 32.500 -0.013 0.000 1.139 170 K HN 0.373 nan 8.250 nan 0.000 0.462 171 Q N 4.172 123.978 119.800 0.010 0.000 2.304 171 Q HA -0.067 4.273 4.340 0.001 0.000 0.315 171 Q C -0.588 175.415 176.000 0.005 0.000 1.075 171 Q CA 0.122 55.937 55.803 0.019 0.000 0.988 171 Q CB 0.505 29.280 28.738 0.061 0.000 1.146 171 Q HN 0.611 nan 8.270 nan 0.000 0.383 172 L N 4.752 125.930 121.223 -0.076 0.000 2.456 172 L HA 0.080 4.420 4.340 0.001 0.000 0.272 172 L C 0.082 176.991 176.870 0.065 0.000 1.189 172 L CA -0.114 54.622 54.840 -0.173 0.000 0.846 172 L CB 0.187 41.822 42.059 -0.707 0.000 1.111 172 L HN 0.578 nan 8.230 nan 0.000 0.475 173 L N 3.790 125.082 121.223 0.115 0.000 2.395 173 L HA 0.370 4.711 4.340 0.001 0.000 0.269 173 L C -0.389 176.655 176.870 0.290 0.000 1.133 173 L CA -0.447 54.520 54.840 0.211 0.000 0.812 173 L CB 1.228 43.419 42.059 0.220 0.000 1.125 173 L HN 0.388 nan 8.230 nan 0.000 0.452 174 L N 2.633 123.959 121.223 0.172 0.000 2.404 174 L HA 0.535 4.876 4.340 0.001 0.000 0.272 174 L C -0.260 176.497 176.870 -0.189 0.000 0.980 174 L CA 0.162 55.035 54.840 0.057 0.000 0.836 174 L CB 1.639 43.663 42.059 -0.058 0.000 1.238 174 L HN 0.719 nan 8.230 nan 0.000 0.408 175 S N 3.454 118.984 115.700 -0.283 0.000 2.671 175 S HA 1.036 5.507 4.470 0.001 0.000 0.299 175 S C -0.724 173.749 174.600 -0.211 0.000 1.116 175 S CA -0.302 57.567 58.200 -0.551 0.000 0.912 175 S CB 1.961 64.395 63.200 -1.276 0.000 1.130 175 S HN 1.174 nan 8.310 nan 0.000 0.501 176 A N 0.131 122.864 122.820 -0.146 0.000 2.459 176 A HA 0.845 5.166 4.320 0.001 0.000 0.296 176 A C -0.494 177.156 177.584 0.110 0.000 1.039 176 A CA -0.499 51.560 52.037 0.037 0.000 0.698 176 A CB 1.197 20.216 19.000 0.031 0.000 1.261 176 A HN 1.721 nan 8.150 nan 0.000 0.405 177 A N 2.808 125.747 122.820 0.198 0.000 2.279 177 A HA 0.664 4.985 4.320 0.001 0.000 0.306 177 A C -0.351 177.306 177.584 0.121 0.000 1.300 177 A CA -0.173 51.997 52.037 0.221 0.000 0.925 177 A CB -0.242 18.941 19.000 0.305 0.000 1.152 177 A HN 0.807 nan 8.150 nan 0.000 0.544 178 L N 1.801 123.049 121.223 0.042 0.000 2.334 178 L HA 0.504 4.845 4.340 0.001 0.000 0.272 178 L C 0.974 177.915 176.870 0.117 0.000 1.020 178 L CA -0.720 54.094 54.840 -0.044 0.000 0.812 178 L CB 1.856 43.695 42.059 -0.365 0.000 1.264 178 L HN 0.691 nan 8.230 nan 0.000 0.439 179 S N 0.528 116.412 115.700 0.306 0.000 2.579 179 S HA 0.313 4.783 4.470 0.001 0.000 0.275 179 S C 0.716 175.365 174.600 0.082 0.000 1.345 179 S CA 0.169 58.453 58.200 0.140 0.000 1.031 179 S CB 1.248 64.341 63.200 -0.179 0.000 0.892 179 S HN 0.709 nan 8.310 nan 0.000 0.529 180 A N 3.417 126.216 122.820 -0.035 0.000 2.348 180 A HA 0.464 4.785 4.320 0.001 0.000 0.224 180 A C 0.947 178.664 177.584 0.222 0.000 1.227 180 A CA 0.197 52.275 52.037 0.069 0.000 0.885 180 A CB -0.394 18.570 19.000 -0.060 0.000 0.933 180 A HN 0.932 nan 8.150 nan 0.000 0.506 181 G N -0.188 108.668 108.800 0.093 0.000 2.339 181 G HA2 0.350 4.311 3.960 0.001 0.000 0.287 181 G HA3 0.350 4.311 3.960 0.001 0.000 0.287 181 G C 0.641 175.586 174.900 0.076 0.000 1.163 181 G CA -0.130 45.053 45.100 0.139 0.000 0.872 181 G HN 0.350 nan 8.290 nan 0.000 0.464 182 K N 2.201 122.649 120.400 0.080 0.000 2.020 182 K HA -0.170 4.150 4.320 0.001 0.000 0.212 182 K C 2.390 178.922 176.600 -0.114 0.000 1.050 182 K CA 1.755 57.998 56.287 -0.073 0.000 0.929 182 K CB -0.191 32.025 32.500 -0.475 0.000 0.714 182 K HN 0.338 nan 8.250 nan 0.000 0.443 183 V N 0.973 120.807 119.914 -0.134 0.000 2.282 183 V HA -0.292 3.829 4.120 0.001 0.000 0.249 183 V C 2.269 178.257 176.094 -0.177 0.000 1.057 183 V CA 2.460 64.677 62.300 -0.137 0.000 1.032 183 V CB -0.739 31.024 31.823 -0.100 0.000 0.645 183 V HN 0.527 nan 8.190 nan 0.000 0.447 184 T N 0.062 114.477 114.554 -0.231 0.000 2.788 184 T HA -0.090 4.261 4.350 0.001 0.000 0.268 184 T C 1.801 176.219 174.700 -0.471 0.000 1.044 184 T CA 1.650 63.507 62.100 -0.406 0.000 1.139 184 T CB -0.266 68.228 68.868 -0.624 0.000 0.867 184 T HN 0.353 nan 8.240 nan 0.000 0.454 185 I N 1.311 121.727 120.570 -0.256 0.000 2.226 185 I HA -0.172 3.999 4.170 0.001 0.000 0.245 185 I C 2.287 178.329 176.117 -0.125 0.000 1.100 185 I CA 1.198 62.422 61.300 -0.126 0.000 1.374 185 I CB -0.375 37.748 38.000 0.204 0.000 1.057 185 I HN 0.138 nan 8.210 nan 0.000 0.413 186 D N 0.440 120.805 120.400 -0.059 0.000 2.178 186 D HA -0.128 4.512 4.640 0.001 0.000 0.201 186 D C 2.309 178.535 176.300 -0.122 0.000 0.980 186 D CA 1.833 55.808 54.000 -0.041 0.000 0.842 186 D CB -0.026 40.762 40.800 -0.020 0.000 0.948 186 D HN 0.383 nan 8.370 nan 0.000 0.472 187 S N -1.218 114.360 115.700 -0.204 0.000 2.503 187 S HA 0.116 4.587 4.470 0.001 0.000 0.215 187 S C 1.892 176.311 174.600 -0.303 0.000 1.003 187 S CA 0.114 58.186 58.200 -0.213 0.000 0.910 187 S CB 0.521 63.605 63.200 -0.193 0.000 0.790 187 S HN -0.037 nan 8.310 nan 0.000 0.514 188 S N 0.056 115.456 115.700 -0.501 0.000 2.506 188 S HA 0.378 4.849 4.470 0.001 0.000 0.230 188 S C -0.457 173.833 174.600 -0.517 0.000 1.066 188 S CA -0.097 57.683 58.200 -0.700 0.000 0.940 188 S CB -0.126 62.360 63.200 -1.190 0.000 0.818 188 S HN 0.585 nan 8.310 nan 0.000 0.518 189 Y N 1.621 121.832 120.300 -0.148 0.000 2.420 189 Y HA 0.586 5.136 4.550 0.001 0.000 0.334 189 Y C -0.035 175.855 175.900 -0.018 0.000 1.094 189 Y CA -2.338 55.737 58.100 -0.042 0.000 1.126 189 Y CB 0.431 38.880 38.460 -0.017 0.000 1.217 189 Y HN -0.061 nan 8.280 nan 0.000 0.462 190 D N 3.040 123.563 120.400 0.205 0.000 2.590 190 D HA 0.176 4.816 4.640 0.001 0.000 0.280 190 D C 1.037 177.383 176.300 0.078 0.000 1.197 190 D CA -0.039 54.017 54.000 0.094 0.000 0.967 190 D CB 0.206 41.050 40.800 0.072 0.000 0.987 190 D HN 0.420 nan 8.370 nan 0.000 0.508 191 I N 1.550 122.158 120.570 0.063 0.000 2.113 191 I HA -0.355 3.816 4.170 0.001 0.000 0.242 191 I C 2.388 178.494 176.117 -0.018 0.000 1.057 191 I CA 1.403 62.708 61.300 0.010 0.000 1.314 191 I CB -1.474 36.503 38.000 -0.037 0.000 1.022 191 I HN 0.307 nan 8.210 nan 0.000 0.408 192 A N 0.176 122.979 122.820 -0.028 0.000 1.883 192 A HA -0.264 4.056 4.320 0.001 0.000 0.217 192 A C 2.372 179.935 177.584 -0.034 0.000 1.186 192 A CA 2.200 54.215 52.037 -0.037 0.000 0.624 192 A CB -0.519 18.459 19.000 -0.037 0.000 0.822 192 A HN 0.285 nan 8.150 nan 0.000 0.444 193 K N 0.228 120.623 120.400 -0.009 0.000 1.984 193 K HA -0.066 4.255 4.320 0.001 0.000 0.209 193 K C 1.817 178.427 176.600 0.017 0.000 1.046 193 K CA 1.728 58.020 56.287 0.009 0.000 0.934 193 K CB -0.563 31.964 32.500 0.045 0.000 0.717 193 K HN 0.692 nan 8.250 nan 0.000 0.438 194 I N -2.017 118.572 120.570 0.032 0.000 2.614 194 I HA -0.107 4.064 4.170 0.001 0.000 0.258 194 I C 1.436 177.534 176.117 -0.031 0.000 1.189 194 I CA 1.173 62.489 61.300 0.026 0.000 1.462 194 I CB -0.191 37.784 38.000 -0.041 0.000 1.092 194 I HN -0.105 nan 8.210 nan 0.000 0.442 195 S N 1.116 116.783 115.700 -0.055 0.000 2.423 195 S HA -0.151 4.320 4.470 0.001 0.000 0.231 195 S C 1.926 176.464 174.600 -0.103 0.000 1.014 195 S CA 1.386 59.547 58.200 -0.064 0.000 0.965 195 S CB -0.252 62.917 63.200 -0.052 0.000 0.785 195 S HN 0.634 nan 8.310 nan 0.000 0.495 196 Q N 0.108 119.788 119.800 -0.199 0.000 2.079 196 Q HA -0.078 4.262 4.340 0.001 0.000 0.200 196 Q C 1.726 177.528 176.000 -0.329 0.000 0.974 196 Q CA 1.123 56.741 55.803 -0.309 0.000 0.840 196 Q CB -0.208 28.237 28.738 -0.489 0.000 0.898 196 Q HN 0.644 nan 8.270 nan 0.000 0.430 197 H N -0.216 118.818 119.070 -0.060 0.000 2.482 197 H HA 0.134 4.691 4.556 0.001 0.000 0.286 197 H C 0.602 175.876 175.328 -0.089 0.000 1.017 197 H CA 0.397 56.398 56.048 -0.078 0.000 1.322 197 H CB 0.177 29.872 29.762 -0.111 0.000 1.426 197 H HN 0.145 nan 8.280 nan 0.000 0.546 198 L N 1.650 122.869 121.223 -0.005 0.000 2.371 198 L HA 0.044 4.385 4.340 0.001 0.000 0.272 198 L C 1.222 178.077 176.870 -0.026 0.000 1.124 198 L CA -0.273 54.534 54.840 -0.055 0.000 0.816 198 L CB 1.042 43.047 42.059 -0.090 0.000 1.129 198 L HN 0.008 nan 8.230 nan 0.000 0.448 199 D N 1.933 122.313 120.400 -0.035 0.000 2.234 199 D HA 0.024 4.665 4.640 0.001 0.000 0.205 199 D C -0.238 176.177 176.300 0.191 0.000 0.962 199 D CA 1.248 55.292 54.000 0.074 0.000 0.855 199 D CB 0.397 41.272 40.800 0.125 0.000 0.951 199 D HN 0.348 nan 8.370 nan 0.000 0.500 200 F N -1.031 118.933 119.950 0.024 0.000 2.725 200 F HA 0.438 4.966 4.527 0.001 0.000 0.311 200 F C -2.076 173.736 175.800 0.019 0.000 1.121 200 F CA -1.361 56.644 58.000 0.009 0.000 0.978 200 F CB 0.518 39.507 39.000 -0.018 0.000 1.274 200 F HN -0.365 nan 8.300 nan 0.000 0.440 201 I N 2.525 123.266 120.570 0.285 0.000 2.406 201 I HA 0.449 4.619 4.170 0.001 0.000 0.290 201 I C -0.482 175.801 176.117 0.277 0.000 0.999 201 I CA -0.832 60.573 61.300 0.175 0.000 1.124 201 I CB 2.137 40.174 38.000 0.062 0.000 1.289 201 I HN 0.656 nan 8.210 nan 0.000 0.441 202 S N 6.856 122.726 115.700 0.283 0.000 2.420 202 S HA 0.446 4.916 4.470 0.001 0.000 0.313 202 S C -0.257 174.451 174.600 0.179 0.000 1.079 202 S CA -0.420 57.955 58.200 0.291 0.000 1.104 202 S CB 0.688 64.147 63.200 0.432 0.000 0.969 202 S HN 0.451 nan 8.310 nan 0.000 0.471 203 I N 4.335 124.981 120.570 0.127 0.000 2.325 203 I HA 0.269 4.440 4.170 0.001 0.000 0.291 203 I C -0.009 176.096 176.117 -0.019 0.000 1.019 203 I CA -0.766 60.569 61.300 0.058 0.000 1.302 203 I CB 0.609 38.651 38.000 0.071 0.000 1.401 203 I HN 0.629 nan 8.210 nan 0.000 0.485 204 M N 7.249 126.757 119.600 -0.154 0.000 3.593 204 M HA 0.055 4.536 4.480 0.001 0.000 0.204 204 M C 0.590 176.391 176.300 -0.831 0.000 1.569 204 M CA 0.008 54.948 55.300 -0.599 0.000 1.694 204 M CB -0.773 31.495 32.600 -0.554 0.000 1.149 204 M HN 0.569 nan 8.290 nan 0.000 0.552 205 T N 0.177 114.461 114.554 -0.449 0.000 4.508 205 T HA 0.247 4.598 4.350 0.001 0.000 0.232 205 T C -0.490 174.108 174.700 -0.170 0.000 1.027 205 T CA -0.230 61.755 62.100 -0.192 0.000 0.999 205 T CB -1.162 67.800 68.868 0.155 0.000 1.402 205 T HN 0.545 nan 8.240 nan 0.000 1.003 206 Y N -2.880 117.190 120.300 -0.383 0.000 2.871 206 Y HA 0.537 5.088 4.550 0.001 0.000 0.331 206 Y C -0.345 175.390 175.900 -0.275 0.000 1.378 206 Y CA -1.909 56.056 58.100 -0.226 0.000 1.079 206 Y CB -0.051 38.403 38.460 -0.010 0.000 1.441 206 Y HN 0.119 nan 8.280 nan 0.000 0.446 207 D N -0.255 120.459 120.400 0.524 0.000 2.772 207 D HA -0.192 4.448 4.640 0.001 0.000 0.233 207 D C 0.139 176.528 176.300 0.148 0.000 1.143 207 D CA 1.034 55.236 54.000 0.336 0.000 0.700 207 D CB -1.152 39.771 40.800 0.204 0.000 1.076 207 D HN 0.542 nan 8.370 nan 0.000 0.430 208 F N -0.511 119.628 119.950 0.315 0.000 2.512 208 F HA 0.087 4.614 4.527 0.001 0.000 0.296 208 F C 1.339 177.307 175.800 0.280 0.000 1.110 208 F CA 0.575 58.720 58.000 0.242 0.000 1.446 208 F CB 0.214 39.328 39.000 0.189 0.000 1.092 208 F HN 0.092 nan 8.300 nan 0.000 0.554 209 H N -1.228 118.067 119.070 0.376 0.000 2.679 209 H HA 0.609 5.166 4.556 0.002 0.000 0.360 209 H C -0.220 175.253 175.328 0.242 0.000 1.105 209 H CA -0.655 55.526 56.048 0.222 0.000 1.196 209 H CB 1.458 31.343 29.762 0.206 0.000 1.636 209 H HN 0.036 nan 8.280 nan 0.000 0.531 210 G N 1.184 109.908 108.800 -0.128 0.000 2.612 210 G HA2 0.483 4.443 3.960 0.001 0.000 0.298 210 G HA3 0.483 4.443 3.960 0.001 0.000 0.298 210 G C 0.483 175.367 174.900 -0.027 0.000 1.336 210 G CA -0.294 44.867 45.100 0.101 0.000 0.953 210 G HN 0.829 nan 8.290 nan 0.000 0.482 211 A N 1.345 124.364 122.820 0.331 0.000 2.009 211 A HA -0.146 4.175 4.320 0.001 0.000 0.222 211 A C 1.993 179.591 177.584 0.024 0.000 1.175 211 A CA 2.253 54.444 52.037 0.256 0.000 0.651 211 A CB -1.062 18.115 19.000 0.296 0.000 0.815 211 A HN 1.204 nan 8.150 nan 0.000 0.459 212 W N 0.546 121.859 121.300 0.021 0.000 2.313 212 W HA -0.242 4.419 4.660 0.002 0.000 0.293 212 W C 1.509 177.984 176.519 -0.074 0.000 1.216 212 W CA 1.218 58.550 57.345 -0.021 0.000 1.223 212 W CB -0.671 28.779 29.460 -0.017 0.000 1.138 212 W HN 0.310 nan 8.180 nan 0.000 0.535 213 R N 1.094 120.947 120.500 -1.078 0.000 2.237 213 R HA 0.008 4.349 4.340 0.001 0.000 0.219 213 R C 2.174 178.165 176.300 -0.516 0.000 1.080 213 R CA 1.314 56.682 56.100 -1.219 0.000 0.995 213 R CB -0.935 28.432 30.300 -1.555 0.000 0.875 213 R HN 0.463 nan 8.270 nan 0.000 0.462 214 G N 1.349 109.944 108.800 -0.343 0.000 2.162 214 G HA2 -0.307 3.653 3.960 0.001 0.000 0.260 214 G HA3 -0.307 3.653 3.960 0.001 0.000 0.260 214 G C 0.291 175.021 174.900 -0.284 0.000 0.976 214 G CA 0.902 45.869 45.100 -0.223 0.000 0.655 214 G HN 0.533 nan 8.290 nan 0.000 0.533 215 T N -2.324 111.996 114.554 -0.390 0.000 2.883 215 T HA 0.709 5.059 4.350 0.001 0.000 0.301 215 T C 0.042 174.296 174.700 -0.743 0.000 1.158 215 T CA 0.357 62.190 62.100 -0.445 0.000 1.007 215 T CB 1.752 70.427 68.868 -0.322 0.000 1.186 215 T HN 1.281 nan 8.240 nan 0.000 0.499 216 T N -0.884 113.083 114.554 -0.979 0.000 2.919 216 T HA 0.611 4.962 4.350 0.001 0.000 0.302 216 T C 0.493 174.434 174.700 -1.266 0.000 1.031 216 T CA -0.208 60.955 62.100 -1.563 0.000 1.127 216 T CB 0.440 68.031 68.868 -2.128 0.000 0.952 216 T HN 1.454 nan 8.240 nan 0.000 0.540 217 G N 0.988 109.117 108.800 -1.118 0.000 2.752 217 G HA2 0.352 4.313 3.960 0.001 0.000 0.298 217 G HA3 0.352 4.313 3.960 0.001 0.000 0.298 217 G C -1.382 173.521 174.900 0.006 0.000 1.434 217 G CA -0.849 43.706 45.100 -0.908 0.000 1.004 217 G HN 0.970 nan 8.290 nan 0.000 0.560 218 H N 1.027 120.185 119.070 0.147 0.000 2.848 218 H HA 0.083 4.639 4.556 0.001 0.000 0.317 218 H C 1.495 177.008 175.328 0.308 0.000 1.046 218 H CA 0.629 56.875 56.048 0.330 0.000 1.470 218 H CB 1.018 30.906 29.762 0.210 0.000 1.483 218 H HN 0.838 nan 8.280 nan 0.000 0.548 219 H N 1.462 120.697 119.070 0.276 0.000 2.555 219 H HA 0.116 4.673 4.556 0.001 0.000 0.269 219 H C 0.229 175.853 175.328 0.492 0.000 0.988 219 H CA 0.466 56.737 56.048 0.371 0.000 1.178 219 H CB 0.579 30.473 29.762 0.220 0.000 1.373 219 H HN 0.245 nan 8.280 nan 0.000 0.588 220 S N 1.659 117.476 115.700 0.195 0.000 2.539 220 S HA 0.235 4.705 4.470 0.001 0.000 0.185 220 S C -2.917 171.723 174.600 0.067 0.000 1.181 220 S CA -1.174 57.111 58.200 0.140 0.000 1.216 220 S CB 0.205 63.264 63.200 -0.235 0.000 1.476 220 S HN 0.274 nan 8.310 nan 0.000 0.395 221 P HA 0.175 nan 4.420 nan 0.000 0.274 221 P C 0.819 177.964 177.300 -0.258 0.000 1.231 221 P CA -0.575 62.386 63.100 -0.230 0.000 0.790 221 P CB 1.139 32.749 31.700 -0.150 0.000 0.951 222 L N 2.415 123.440 121.223 -0.330 0.000 2.068 222 L HA 0.205 4.546 4.340 0.001 0.000 0.204 222 L C 0.475 176.848 176.870 -0.829 0.000 1.076 222 L CA 1.738 56.218 54.840 -0.600 0.000 0.753 222 L CB -0.705 40.984 42.059 -0.616 0.000 0.910 222 L HN 0.253 nan 8.230 nan 0.000 0.439 223 F N -2.041 117.780 119.950 -0.215 0.000 2.639 223 F HA 0.420 4.947 4.527 0.001 0.000 0.339 223 F C 1.638 177.347 175.800 -0.151 0.000 1.071 223 F CA -0.732 57.168 58.000 -0.167 0.000 0.994 223 F CB 0.686 39.616 39.000 -0.116 0.000 1.341 223 F HN -0.313 nan 8.300 nan 0.000 0.498 224 R N 0.677 121.231 120.500 0.090 0.000 2.081 224 R HA 0.196 4.536 4.340 0.001 0.000 0.235 224 R C 0.864 177.154 176.300 -0.016 0.000 1.131 224 R CA 1.432 57.519 56.100 -0.022 0.000 0.960 224 R CB -0.544 29.729 30.300 -0.045 0.000 0.856 224 R HN 1.015 nan 8.270 nan 0.000 0.436 225 G N 0.098 108.908 108.800 0.016 0.000 2.584 225 G HA2 -0.369 3.592 3.960 0.001 0.000 0.229 225 G HA3 -0.369 3.592 3.960 0.001 0.000 0.229 225 G C -0.979 173.902 174.900 -0.032 0.000 1.320 225 G CA 0.090 45.185 45.100 -0.007 0.000 0.891 225 G HN 0.555 nan 8.290 nan 0.000 0.573 226 Q N 0.336 120.117 119.800 -0.031 0.000 2.520 226 Q HA 0.004 4.345 4.340 0.001 0.000 0.320 226 Q C 1.565 177.533 176.000 -0.053 0.000 1.104 226 Q CA 0.964 56.744 55.803 -0.039 0.000 1.062 226 Q CB 0.219 28.938 28.738 -0.032 0.000 1.005 226 Q HN 0.602 nan 8.270 nan 0.000 0.390 227 E N 3.576 123.742 120.200 -0.056 0.000 2.130 227 E HA -0.270 4.081 4.350 0.001 0.000 0.196 227 E C 0.587 177.143 176.600 -0.072 0.000 0.998 227 E CA 1.513 57.872 56.400 -0.068 0.000 0.806 227 E CB 0.293 29.956 29.700 -0.061 0.000 0.738 227 E HN 0.744 nan 8.360 nan 0.000 0.459 228 D N -0.285 120.079 120.400 -0.061 0.000 2.117 228 D HA -0.096 4.545 4.640 0.001 0.000 0.197 228 D C 0.955 177.213 176.300 -0.070 0.000 0.987 228 D CA 1.392 55.355 54.000 -0.060 0.000 0.829 228 D CB -0.060 40.710 40.800 -0.050 0.000 0.961 228 D HN 0.188 nan 8.370 nan 0.000 0.460 229 A N -0.013 122.763 122.820 -0.072 0.000 2.577 229 A HA 0.306 4.627 4.320 0.001 0.000 0.280 229 A C 0.214 177.738 177.584 -0.100 0.000 1.331 229 A CA -0.178 51.806 52.037 -0.087 0.000 0.935 229 A CB -0.164 18.786 19.000 -0.083 0.000 1.082 229 A HN 0.102 nan 8.150 nan 0.000 0.525 230 S N -0.873 114.767 115.700 -0.100 0.000 2.552 230 S HA 0.565 5.035 4.470 0.001 0.000 0.314 230 S C -2.127 172.408 174.600 -0.107 0.000 1.099 230 S CA -1.100 57.036 58.200 -0.107 0.000 1.070 230 S CB 1.642 64.771 63.200 -0.118 0.000 0.998 230 S HN 0.062 nan 8.310 nan 0.000 0.474 231 P HA 0.146 nan 4.420 nan 0.000 0.223 231 P C -0.293 176.950 177.300 -0.095 0.000 1.151 231 P CA 1.032 64.085 63.100 -0.077 0.000 0.787 231 P CB 0.122 31.788 31.700 -0.058 0.000 0.788 232 D N -2.613 117.710 120.400 -0.128 0.000 2.819 232 D HA 0.370 5.011 4.640 0.001 0.000 0.232 232 D C 0.923 176.992 176.300 -0.385 0.000 1.160 232 D CA -0.443 53.426 54.000 -0.219 0.000 0.858 232 D CB 1.574 42.319 40.800 -0.092 0.000 1.610 232 D HN -0.292 nan 8.370 nan 0.000 0.481 233 R N 1.988 122.049 120.500 -0.730 0.000 2.153 233 R HA 0.035 4.376 4.340 0.001 0.000 0.218 233 R C 1.439 177.188 176.300 -0.918 0.000 1.072 233 R CA 1.355 56.944 56.100 -0.852 0.000 0.990 233 R CB -0.945 28.712 30.300 -1.071 0.000 0.889 233 R HN 0.505 nan 8.270 nan 0.000 0.452 234 F N -0.423 119.226 119.950 -0.501 0.000 2.695 234 F HA 0.358 4.886 4.527 0.001 0.000 0.303 234 F C 0.885 176.480 175.800 -0.341 0.000 1.091 234 F CA -0.525 57.039 58.000 -0.726 0.000 1.300 234 F CB 0.329 38.718 39.000 -1.017 0.000 1.071 234 F HN -0.104 nan 8.300 nan 0.000 0.578 235 S N 2.208 117.799 115.700 -0.181 0.000 3.983 235 S HA 0.230 4.701 4.470 0.001 0.000 0.194 235 S C -0.315 173.740 174.600 -0.909 0.000 1.464 235 S CA -0.417 57.601 58.200 -0.304 0.000 1.021 235 S CB -1.371 61.853 63.200 0.041 0.000 1.424 235 S HN 0.616 nan 8.310 nan 0.000 0.473 236 N N -2.305 115.658 118.700 -1.228 0.000 2.710 236 N HA 0.274 5.015 4.740 0.001 0.000 0.257 236 N C 0.397 175.490 175.510 -0.696 0.000 1.327 236 N CA -0.853 51.594 53.050 -1.005 0.000 0.861 236 N CB 0.168 38.408 38.487 -0.411 0.000 1.532 236 N HN -0.180 nan 8.380 nan 0.000 0.499 237 T N -0.552 113.783 114.554 -0.366 0.000 2.635 237 T HA -0.234 4.116 4.350 0.001 0.000 0.267 237 T C 1.004 175.606 174.700 -0.164 0.000 1.040 237 T CA 2.152 64.186 62.100 -0.111 0.000 1.156 237 T CB -0.684 68.064 68.868 -0.202 0.000 0.863 237 T HN 0.803 nan 8.240 nan 0.000 0.430 238 D N -0.146 120.026 120.400 -0.380 0.000 2.116 238 D HA -0.195 4.445 4.640 0.001 0.000 0.193 238 D C 1.878 178.215 176.300 0.062 0.000 0.998 238 D CA 1.387 55.251 54.000 -0.226 0.000 0.836 238 D CB -0.381 40.274 40.800 -0.241 0.000 0.951 238 D HN 0.500 nan 8.370 nan 0.000 0.449 239 Y N 0.681 120.976 120.300 -0.010 0.000 2.097 239 Y HA -0.173 4.377 4.550 0.001 0.000 0.282 239 Y C 2.288 178.277 175.900 0.149 0.000 1.152 239 Y CA 2.283 60.431 58.100 0.080 0.000 1.136 239 Y CB -0.851 37.643 38.460 0.056 0.000 0.975 239 Y HN 0.063 nan 8.280 nan 0.000 0.498 240 A N -0.434 122.498 122.820 0.187 0.000 1.892 240 A HA -0.213 4.108 4.320 0.001 0.000 0.218 240 A C 2.367 180.020 177.584 0.116 0.000 1.188 240 A CA 2.360 54.526 52.037 0.216 0.000 0.631 240 A CB -1.454 17.767 19.000 0.368 0.000 0.822 240 A HN 0.374 nan 8.150 nan 0.000 0.447 241 V N -0.167 119.817 119.914 0.117 0.000 2.233 241 V HA -0.208 3.912 4.120 0.001 0.000 0.247 241 V C 2.868 178.998 176.094 0.060 0.000 1.050 241 V CA 2.178 64.550 62.300 0.119 0.000 1.010 241 V CB -1.559 30.399 31.823 0.225 0.000 0.637 241 V HN 0.628 nan 8.190 nan 0.000 0.444 242 G N -1.736 107.089 108.800 0.042 0.000 2.440 242 G HA2 -0.348 3.613 3.960 0.001 0.000 0.218 242 G HA3 -0.348 3.613 3.960 0.001 0.000 0.218 242 G C 1.568 176.443 174.900 -0.043 0.000 1.154 242 G CA 1.249 46.349 45.100 -0.000 0.000 0.767 242 G HN 0.516 nan 8.290 nan 0.000 0.552 243 Y N 0.643 120.746 120.300 -0.329 0.000 2.128 243 Y HA -0.033 4.518 4.550 0.001 0.000 0.284 243 Y C 2.874 178.696 175.900 -0.129 0.000 1.154 243 Y CA 1.774 59.681 58.100 -0.322 0.000 1.149 243 Y CB -0.321 37.835 38.460 -0.508 0.000 0.976 243 Y HN 0.174 nan 8.280 nan 0.000 0.505 244 M N -0.979 118.575 119.600 -0.076 0.000 2.159 244 M HA -0.223 4.258 4.480 0.001 0.000 0.263 244 M C 2.104 178.337 176.300 -0.111 0.000 1.063 244 M CA 1.486 56.716 55.300 -0.118 0.000 1.110 244 M CB -0.268 32.327 32.600 -0.009 0.000 1.374 244 M HN 0.335 nan 8.290 nan 0.000 0.411 245 L N -0.772 120.413 121.223 -0.064 0.000 2.017 245 L HA -0.252 4.089 4.340 0.001 0.000 0.208 245 L C 2.498 179.324 176.870 -0.075 0.000 1.073 245 L CA 1.427 56.237 54.840 -0.050 0.000 0.745 245 L CB -0.611 41.433 42.059 -0.024 0.000 0.894 245 L HN 0.276 nan 8.230 nan 0.000 0.432 246 R N -0.040 120.403 120.500 -0.095 0.000 2.096 246 R HA -0.135 4.205 4.340 0.001 0.000 0.235 246 R C 2.167 178.378 176.300 -0.148 0.000 1.127 246 R CA 1.139 57.180 56.100 -0.098 0.000 0.968 246 R CB -0.344 29.914 30.300 -0.070 0.000 0.861 246 R HN 0.343 nan 8.270 nan 0.000 0.440 247 L N -0.526 120.545 121.223 -0.253 0.000 2.549 247 L HA 0.015 4.355 4.340 0.001 0.000 0.229 247 L C 0.993 177.782 176.870 -0.136 0.000 1.158 247 L CA 0.833 55.524 54.840 -0.248 0.000 0.842 247 L CB -0.031 41.808 42.059 -0.367 0.000 0.952 247 L HN 0.569 nan 8.230 nan 0.000 0.452 248 G N -0.349 108.388 108.800 -0.104 0.000 2.155 248 G HA2 -0.096 3.865 3.960 0.001 0.000 0.135 248 G HA3 -0.096 3.865 3.960 0.001 0.000 0.135 248 G C 0.077 174.943 174.900 -0.056 0.000 1.023 248 G CA -0.247 44.812 45.100 -0.069 0.000 0.688 248 G HN 0.371 nan 8.290 nan 0.000 0.499 249 A N 0.884 123.672 122.820 -0.055 0.000 2.260 249 A HA 0.770 5.090 4.320 0.001 0.000 0.312 249 A C -1.859 175.714 177.584 -0.019 0.000 1.321 249 A CA -1.399 50.617 52.037 -0.034 0.000 0.928 249 A CB 0.534 19.516 19.000 -0.029 0.000 1.158 249 A HN 0.103 nan 8.150 nan 0.000 0.542 250 P HA 0.078 nan 4.420 nan 0.000 0.261 250 P C 1.032 178.339 177.300 0.011 0.000 1.183 250 P CA 0.635 63.733 63.100 -0.004 0.000 0.761 250 P CB 0.947 32.645 31.700 -0.003 0.000 0.785 251 A N 3.654 126.479 122.820 0.009 0.000 1.978 251 A HA -0.204 4.116 4.320 0.001 0.000 0.220 251 A C 2.057 179.663 177.584 0.036 0.000 1.170 251 A CA 2.187 54.236 52.037 0.019 0.000 0.636 251 A CB -1.442 17.563 19.000 0.010 0.000 0.810 251 A HN 0.591 nan 8.150 nan 0.000 0.448 252 S N -0.909 114.810 115.700 0.032 0.000 2.507 252 S HA -0.018 4.453 4.470 0.001 0.000 0.235 252 S C 1.341 175.974 174.600 0.055 0.000 0.988 252 S CA 1.250 59.474 58.200 0.039 0.000 0.944 252 S CB -0.122 63.092 63.200 0.024 0.000 0.762 252 S HN 0.623 nan 8.310 nan 0.000 0.526 253 K N -0.089 120.348 120.400 0.061 0.000 2.374 253 K HA 0.346 4.667 4.320 0.001 0.000 0.202 253 K C -0.748 175.924 176.600 0.120 0.000 1.040 253 K CA -0.253 56.094 56.287 0.099 0.000 1.085 253 K CB 0.423 32.970 32.500 0.078 0.000 0.873 253 K HN 0.248 nan 8.250 nan 0.000 0.539 254 L N 1.861 123.135 121.223 0.085 0.000 2.272 254 L HA 0.268 4.609 4.340 0.001 0.000 0.289 254 L C -0.876 176.044 176.870 0.084 0.000 1.032 254 L CA -0.607 54.286 54.840 0.089 0.000 0.810 254 L CB 1.446 43.542 42.059 0.061 0.000 1.205 254 L HN -0.251 nan 8.230 nan 0.000 0.422 255 V N 6.011 125.989 119.914 0.107 0.000 2.398 255 V HA 0.412 4.533 4.120 0.001 0.000 0.286 255 V C 0.260 176.420 176.094 0.109 0.000 1.026 255 V CA -0.578 61.766 62.300 0.073 0.000 0.868 255 V CB 1.440 33.283 31.823 0.033 0.000 0.982 255 V HN 0.819 nan 8.190 nan 0.000 0.443 256 M N 4.040 123.697 119.600 0.095 0.000 2.108 256 M HA 0.525 5.006 4.480 0.001 0.000 0.354 256 M C 0.652 177.041 176.300 0.149 0.000 1.229 256 M CA -0.181 55.190 55.300 0.118 0.000 1.081 256 M CB 0.630 33.299 32.600 0.115 0.000 1.606 256 M HN 0.852 nan 8.290 nan 0.000 0.467 257 G N 6.260 115.168 108.800 0.179 0.000 2.378 257 G HA2 0.501 4.462 3.960 0.001 0.000 0.255 257 G HA3 0.501 4.462 3.960 0.001 0.000 0.255 257 G C -0.713 174.379 174.900 0.321 0.000 1.270 257 G CA -0.519 44.757 45.100 0.293 0.000 0.876 257 G HN 0.801 nan 8.290 nan 0.000 0.521 258 I N 4.265 125.036 120.570 0.336 0.000 2.466 258 I HA 0.320 4.491 4.170 0.001 0.000 0.289 258 I C -2.191 174.069 176.117 0.238 0.000 1.026 258 I CA -2.312 59.131 61.300 0.239 0.000 1.078 258 I CB 3.204 41.283 38.000 0.133 0.000 1.249 258 I HN 0.325 nan 8.210 nan 0.000 0.429 259 P HA 0.187 nan 4.420 nan 0.000 0.288 259 P C 0.136 177.434 177.300 -0.002 0.000 1.267 259 P CA -0.308 62.760 63.100 -0.054 0.000 0.815 259 P CB 1.457 32.855 31.700 -0.503 0.000 0.989 260 T N -0.620 114.024 114.554 0.150 0.000 3.176 260 T HA 0.364 4.715 4.350 0.001 0.000 0.263 260 T C 0.250 175.099 174.700 0.248 0.000 1.021 260 T CA -0.358 61.828 62.100 0.143 0.000 0.905 260 T CB -0.990 67.977 68.868 0.166 0.000 1.057 260 T HN 0.385 nan 8.240 nan 0.000 0.558 261 F N -0.771 119.254 119.950 0.124 0.000 2.620 261 F HA 0.922 5.450 4.527 0.002 0.000 0.320 261 F C -0.110 175.760 175.800 0.117 0.000 1.069 261 F CA -1.765 56.278 58.000 0.071 0.000 0.953 261 F CB 1.048 40.054 39.000 0.011 0.000 1.322 261 F HN 0.071 nan 8.300 nan 0.000 0.479 262 G N 0.891 109.723 108.800 0.053 0.000 2.511 262 G HA2 0.629 4.590 3.960 0.001 0.000 0.318 262 G HA3 0.629 4.590 3.960 0.001 0.000 0.318 262 G C -1.460 173.314 174.900 -0.210 0.000 1.210 262 G CA -1.256 43.797 45.100 -0.079 0.000 0.969 262 G HN 0.566 nan 8.290 nan 0.000 0.484 263 R N 0.416 120.688 120.500 -0.381 0.000 2.338 263 R HA 0.519 4.860 4.340 0.001 0.000 0.317 263 R C 0.051 176.058 176.300 -0.488 0.000 0.968 263 R CA -0.476 55.374 56.100 -0.417 0.000 0.849 263 R CB 1.314 31.357 30.300 -0.429 0.000 1.128 263 R HN 0.710 nan 8.270 nan 0.000 0.448 264 S N 2.062 117.426 115.700 -0.560 0.000 2.681 264 S HA 0.825 5.296 4.470 0.001 0.000 0.299 264 S C -0.476 173.649 174.600 -0.792 0.000 1.113 264 S CA -0.588 57.297 58.200 -0.525 0.000 1.013 264 S CB 1.365 64.388 63.200 -0.295 0.000 1.076 264 S HN 0.330 nan 8.310 nan 0.000 0.534 265 F N -0.830 119.202 119.950 0.137 0.000 2.626 265 F HA 0.515 5.043 4.527 0.000 0.000 0.311 265 F C 0.037 175.898 175.800 0.102 0.000 1.088 265 F CA -0.834 57.218 58.000 0.087 0.000 0.949 265 F CB 2.055 41.071 39.000 0.027 0.000 1.322 265 F HN 0.490 nan 8.300 nan 0.000 0.461 266 T N 3.564 118.273 114.554 0.259 0.000 2.801 266 T HA 0.505 4.855 4.350 0.001 0.000 0.306 266 T C 0.057 174.841 174.700 0.140 0.000 1.020 266 T CA -0.518 61.688 62.100 0.177 0.000 0.948 266 T CB 0.040 68.980 68.868 0.121 0.000 0.962 266 T HN 0.301 nan 8.240 nan 0.000 0.465 267 L N 1.921 123.233 121.223 0.149 0.000 2.499 267 L HA 0.254 4.595 4.340 0.001 0.000 0.281 267 L C 1.383 178.283 176.870 0.050 0.000 1.234 267 L CA -0.235 54.652 54.840 0.079 0.000 0.839 267 L CB 0.215 42.347 42.059 0.121 0.000 1.104 267 L HN 0.717 nan 8.230 nan 0.000 0.500 268 A N 0.673 123.498 122.820 0.009 0.000 2.419 268 A HA 0.295 4.615 4.320 0.001 0.000 0.233 268 A C 0.680 178.269 177.584 0.007 0.000 1.217 268 A CA 0.546 52.587 52.037 0.007 0.000 0.944 268 A CB 0.206 19.198 19.000 -0.014 0.000 1.025 268 A HN 0.767 nan 8.150 nan 0.000 0.524 269 S N -1.478 114.227 115.700 0.008 0.000 3.144 269 S HA 0.408 4.878 4.470 0.001 0.000 0.325 269 S C 0.818 175.436 174.600 0.030 0.000 1.161 269 S CA 0.541 58.747 58.200 0.011 0.000 0.920 269 S CB 0.489 63.684 63.200 -0.007 0.000 1.340 269 S HN 0.651 nan 8.310 nan 0.000 0.681 270 S N -0.692 115.026 115.700 0.029 0.000 2.548 270 S HA 0.243 4.714 4.470 0.001 0.000 0.215 270 S C 0.124 174.755 174.600 0.052 0.000 0.976 270 S CA -0.276 57.952 58.200 0.047 0.000 0.908 270 S CB -0.679 62.544 63.200 0.039 0.000 0.781 270 S HN 0.671 nan 8.310 nan 0.000 0.519 271 E N 2.186 122.402 120.200 0.026 0.000 2.324 271 E HA 0.209 4.560 4.350 0.001 0.000 0.271 271 E C 0.497 177.122 176.600 0.041 0.000 1.028 271 E CA 0.383 56.791 56.400 0.013 0.000 0.890 271 E CB 0.764 30.442 29.700 -0.036 0.000 1.004 271 E HN 0.552 nan 8.360 nan 0.000 0.431 272 T N -0.595 114.017 114.554 0.098 0.000 3.111 272 T HA 0.260 4.611 4.350 0.001 0.000 0.284 272 T C 0.721 175.598 174.700 0.296 0.000 0.983 272 T CA -0.323 61.926 62.100 0.248 0.000 0.900 272 T CB 0.569 69.649 68.868 0.353 0.000 1.132 272 T HN 0.365 nan 8.240 nan 0.000 0.531 273 G N 1.136 109.984 108.800 0.080 0.000 2.543 273 G HA2 0.522 4.483 3.960 0.001 0.000 0.290 273 G HA3 0.522 4.483 3.960 0.001 0.000 0.290 273 G C -0.432 174.368 174.900 -0.166 0.000 1.310 273 G CA -0.631 44.493 45.100 0.039 0.000 1.025 273 G HN 0.303 nan 8.290 nan 0.000 0.502 274 V N 0.676 120.501 119.914 -0.148 0.000 2.529 274 V HA 0.426 4.546 4.120 0.001 0.000 0.292 274 V C 1.504 177.414 176.094 -0.306 0.000 1.028 274 V CA 1.781 63.924 62.300 -0.263 0.000 1.074 274 V CB 0.326 32.087 31.823 -0.103 0.000 0.958 274 V HN 1.771 nan 8.190 nan 0.000 0.481 275 G N 3.779 112.305 108.800 -0.457 0.000 2.176 275 G HA2 -0.098 3.863 3.960 0.001 0.000 0.232 275 G HA3 -0.098 3.863 3.960 0.001 0.000 0.232 275 G C 0.440 175.136 174.900 -0.339 0.000 0.986 275 G CA 0.132 45.017 45.100 -0.357 0.000 0.643 275 G HN 1.450 nan 8.290 nan 0.000 0.522 276 A N 0.773 123.354 122.820 -0.399 0.000 2.448 276 A HA 0.620 4.941 4.320 0.001 0.000 0.239 276 A C -1.564 175.827 177.584 -0.321 0.000 1.080 276 A CA -0.245 51.607 52.037 -0.310 0.000 0.779 276 A CB 0.071 18.896 19.000 -0.293 0.000 1.026 276 A HN 0.212 nan 8.150 nan 0.000 0.499 277 P HA 0.382 nan 4.420 nan 0.000 0.271 277 P C -0.539 176.659 177.300 -0.170 0.000 1.216 277 P CA 0.168 63.162 63.100 -0.176 0.000 0.776 277 P CB 0.491 32.126 31.700 -0.108 0.000 0.881 278 I N -1.291 119.182 120.570 -0.163 0.000 2.892 278 I HA 0.578 4.749 4.170 0.001 0.000 0.306 278 I C 0.517 176.612 176.117 -0.038 0.000 1.078 278 I CA -0.827 60.413 61.300 -0.100 0.000 1.032 278 I CB 2.572 40.487 38.000 -0.141 0.000 1.229 278 I HN 0.201 nan 8.210 nan 0.000 0.435 279 S N 1.409 117.117 115.700 0.014 0.000 2.539 279 S HA 0.709 5.180 4.470 0.001 0.000 0.221 279 S C 0.605 175.234 174.600 0.049 0.000 0.987 279 S CA 0.153 58.368 58.200 0.026 0.000 0.929 279 S CB -0.036 63.184 63.200 0.034 0.000 0.832 279 S HN 1.610 nan 8.310 nan 0.000 0.492 280 G N 1.502 110.349 108.800 0.079 0.000 2.352 280 G HA2 0.295 4.256 3.960 0.001 0.000 0.283 280 G HA3 0.295 4.256 3.960 0.001 0.000 0.283 280 G C -3.478 171.522 174.900 0.167 0.000 1.308 280 G CA -0.580 44.585 45.100 0.108 0.000 0.892 280 G HN 0.115 nan 8.290 nan 0.000 0.504 281 P HA 0.388 nan 4.420 nan 0.000 0.271 281 P C 0.804 178.135 177.300 0.052 0.000 1.233 281 P CA 0.689 63.840 63.100 0.084 0.000 0.789 281 P CB 0.506 32.226 31.700 0.033 0.000 0.951 282 G N 0.562 109.345 108.800 -0.028 0.000 2.634 282 G HA2 0.347 4.307 3.960 0.001 0.000 0.255 282 G HA3 0.347 4.307 3.960 0.001 0.000 0.255 282 G C 0.154 175.049 174.900 -0.009 0.000 1.205 282 G CA -0.875 44.218 45.100 -0.011 0.000 0.884 282 G HN 0.439 nan 8.290 nan 0.000 0.549 283 I N 1.527 122.105 120.570 0.013 0.000 2.648 283 I HA 0.064 4.235 4.170 0.001 0.000 0.284 283 I C -1.695 174.417 176.117 -0.007 0.000 1.153 283 I CA -1.188 60.123 61.300 0.019 0.000 1.426 283 I CB 0.998 39.026 38.000 0.048 0.000 1.381 283 I HN 0.221 nan 8.210 nan 0.000 0.571 284 P HA 0.026 nan 4.420 nan 0.000 0.267 284 P C 0.042 177.339 177.300 -0.005 0.000 1.200 284 P CA -0.128 62.967 63.100 -0.008 0.000 0.772 284 P CB 0.441 32.144 31.700 0.003 0.000 0.855 285 G N 1.669 110.464 108.800 -0.008 0.000 2.527 285 G HA2 0.035 3.996 3.960 0.001 0.000 0.248 285 G HA3 0.035 3.996 3.960 0.001 0.000 0.248 285 G C 0.932 175.841 174.900 0.014 0.000 1.231 285 G CA -0.485 44.621 45.100 0.011 0.000 0.838 285 G HN 0.521 nan 8.290 nan 0.000 0.570 286 R N 0.691 121.179 120.500 -0.020 0.000 2.105 286 R HA -0.095 4.245 4.340 0.001 0.000 0.239 286 R C 1.363 177.492 176.300 -0.285 0.000 1.135 286 R CA 1.635 57.613 56.100 -0.204 0.000 0.967 286 R CB -0.178 29.895 30.300 -0.380 0.000 0.861 286 R HN 0.587 nan 8.270 nan 0.000 0.442 287 F N -0.964 119.063 119.950 0.129 0.000 2.500 287 F HA 0.071 4.598 4.527 0.001 0.000 0.285 287 F C 2.514 178.397 175.800 0.137 0.000 1.088 287 F CA 1.031 59.134 58.000 0.172 0.000 1.432 287 F CB -0.237 38.944 39.000 0.301 0.000 1.131 287 F HN 0.056 nan 8.300 nan 0.000 0.582 288 T N -2.535 112.171 114.554 0.253 0.000 3.067 288 T HA 0.008 4.359 4.350 0.001 0.000 0.261 288 T C 0.802 175.567 174.700 0.107 0.000 1.110 288 T CA -0.051 62.142 62.100 0.156 0.000 1.113 288 T CB -0.539 68.365 68.868 0.060 0.000 0.917 288 T HN 0.128 nan 8.240 nan 0.000 0.499 289 K N 1.702 122.149 120.400 0.079 0.000 3.540 289 K HA -0.197 4.123 4.320 0.001 0.000 0.274 289 K C -0.298 176.322 176.600 0.033 0.000 0.890 289 K CA 0.687 57.003 56.287 0.047 0.000 0.701 289 K CB -1.303 31.231 32.500 0.056 0.000 1.523 289 K HN 0.741 nan 8.250 nan 0.000 0.450 290 E N 0.213 120.421 120.200 0.014 0.000 2.361 290 E HA 0.383 4.733 4.350 0.001 0.000 0.270 290 E C -0.824 175.764 176.600 -0.021 0.000 0.911 290 E CA -0.382 56.017 56.400 -0.002 0.000 0.818 290 E CB 1.220 30.915 29.700 -0.008 0.000 1.332 290 E HN 0.363 nan 8.360 nan 0.000 0.402 291 A N 2.558 125.370 122.820 -0.014 0.000 2.584 291 A HA 0.378 4.699 4.320 0.001 0.000 0.239 291 A C 1.320 178.876 177.584 -0.048 0.000 1.043 291 A CA 1.288 53.312 52.037 -0.021 0.000 0.756 291 A CB -0.376 18.625 19.000 0.000 0.000 0.963 291 A HN 1.240 nan 8.150 nan 0.000 0.511 292 G N 1.908 110.656 108.800 -0.086 0.000 2.176 292 G HA2 -0.160 3.800 3.960 0.001 0.000 0.253 292 G HA3 -0.160 3.800 3.960 0.001 0.000 0.253 292 G C 0.330 175.131 174.900 -0.165 0.000 0.979 292 G CA 0.578 45.584 45.100 -0.157 0.000 0.641 292 G HN 1.369 nan 8.290 nan 0.000 0.530 293 T N 0.552 115.039 114.554 -0.112 0.000 2.876 293 T HA 0.720 5.071 4.350 0.001 0.000 0.289 293 T C -0.485 174.166 174.700 -0.081 0.000 1.014 293 T CA -0.394 61.660 62.100 -0.078 0.000 0.986 293 T CB 2.008 70.832 68.868 -0.074 0.000 1.021 293 T HN 0.428 nan 8.240 nan 0.000 0.458 294 L N 2.075 123.260 121.223 -0.062 0.000 2.505 294 L HA 0.666 5.007 4.340 0.001 0.000 0.266 294 L C 0.138 176.948 176.870 -0.100 0.000 0.954 294 L CA -1.209 53.559 54.840 -0.121 0.000 0.852 294 L CB 1.788 43.726 42.059 -0.202 0.000 1.282 294 L HN 0.764 nan 8.230 nan 0.000 0.403 295 A N 1.417 124.086 122.820 -0.252 0.000 2.366 295 A HA 0.119 4.439 4.320 0.001 0.000 0.249 295 A C 0.496 177.895 177.584 -0.309 0.000 1.084 295 A CA 0.159 51.985 52.037 -0.351 0.000 0.794 295 A CB 0.130 18.561 19.000 -0.948 0.000 1.034 295 A HN 0.765 nan 8.150 nan 0.000 0.491 296 Y N 1.458 121.622 120.300 -0.226 0.000 2.207 296 Y HA -0.324 4.226 4.550 0.000 0.000 0.287 296 Y C 2.000 177.808 175.900 -0.152 0.000 1.156 296 Y CA 2.805 60.830 58.100 -0.125 0.000 1.182 296 Y CB -0.682 37.789 38.460 0.019 0.000 0.979 296 Y HN 0.825 nan 8.280 nan 0.000 0.521 297 Y N -1.015 119.120 120.300 -0.274 0.000 2.352 297 Y HA -0.012 4.538 4.550 0.001 0.000 0.292 297 Y C 1.842 177.468 175.900 -0.457 0.000 1.136 297 Y CA 1.165 58.957 58.100 -0.513 0.000 1.227 297 Y CB -1.205 36.736 38.460 -0.864 0.000 0.991 297 Y HN 0.162 nan 8.280 nan 0.000 0.545 298 E N 0.726 120.654 120.200 -0.453 0.000 2.158 298 E HA -0.041 4.309 4.350 0.001 0.000 0.191 298 E C 2.051 178.589 176.600 -0.104 0.000 0.982 298 E CA 1.028 57.343 56.400 -0.142 0.000 0.823 298 E CB -0.126 29.467 29.700 -0.179 0.000 0.766 298 E HN 0.564 nan 8.360 nan 0.000 0.468 299 I N 0.590 121.003 120.570 -0.260 0.000 2.315 299 I HA -0.272 3.899 4.170 0.001 0.000 0.248 299 I C 2.228 178.208 176.117 -0.228 0.000 1.117 299 I CA 0.480 61.608 61.300 -0.288 0.000 1.404 299 I CB -0.188 37.506 38.000 -0.510 0.000 1.071 299 I HN 0.234 nan 8.210 nan 0.000 0.419 300 c N 0.578 118.981 118.600 -0.328 0.000 2.411 300 c HA -0.172 4.399 4.570 0.001 0.000 0.279 300 c C 2.408 176.482 174.090 -0.026 0.000 1.288 300 c CA 0.814 57.014 56.329 -0.214 0.000 1.764 300 c CB -0.998 41.378 42.510 -0.223 0.000 1.974 300 c HN 0.515 nan 8.230 nan 0.000 0.498 301 D N -0.164 120.278 120.400 0.070 0.000 2.084 301 D HA -0.093 4.548 4.640 0.001 0.000 0.196 301 D C 1.775 178.127 176.300 0.086 0.000 0.985 301 D CA 0.931 55.005 54.000 0.123 0.000 0.826 301 D CB -0.546 40.389 40.800 0.223 0.000 0.978 301 D HN 0.443 nan 8.370 nan 0.000 0.456 302 F N 1.491 121.412 119.950 -0.048 0.000 2.120 302 F HA -0.182 4.346 4.527 0.002 0.000 0.300 302 F C 2.063 177.823 175.800 -0.066 0.000 1.095 302 F CA 1.180 59.145 58.000 -0.059 0.000 1.249 302 F CB -0.287 38.654 39.000 -0.100 0.000 0.995 302 F HN -0.070 nan 8.300 nan 0.000 0.480 303 L N 0.190 121.405 121.223 -0.015 0.000 2.349 303 L HA -0.162 4.179 4.340 0.001 0.000 0.220 303 L C 0.885 177.677 176.870 -0.130 0.000 1.130 303 L CA 0.654 55.444 54.840 -0.083 0.000 0.791 303 L CB -0.706 41.332 42.059 -0.035 0.000 0.918 303 L HN -0.041 nan 8.230 nan 0.000 0.444 304 R N 0.906 121.336 120.500 -0.117 0.000 2.402 304 R HA 0.164 4.504 4.340 0.001 0.000 0.331 304 R C 1.050 177.264 176.300 -0.144 0.000 1.040 304 R CA 0.675 56.716 56.100 -0.098 0.000 0.980 304 R CB -0.088 30.176 30.300 -0.059 0.000 0.967 304 R HN 0.326 nan 8.270 nan 0.000 0.440 305 G N 1.356 110.082 108.800 -0.123 0.000 2.141 305 G HA2 -0.287 3.673 3.960 0.001 0.000 0.242 305 G HA3 -0.287 3.673 3.960 0.001 0.000 0.242 305 G C 0.068 174.867 174.900 -0.168 0.000 0.982 305 G CA 0.055 45.080 45.100 -0.124 0.000 0.662 305 G HN 0.802 nan 8.290 nan 0.000 0.527 306 A N -0.689 122.005 122.820 -0.210 0.000 2.299 306 A HA 0.910 5.231 4.320 0.001 0.000 0.332 306 A C 0.242 177.749 177.584 -0.128 0.000 1.131 306 A CA 0.338 52.239 52.037 -0.227 0.000 0.844 306 A CB 1.241 19.992 19.000 -0.415 0.000 1.251 306 A HN 0.678 nan 8.150 nan 0.000 0.486 307 T N 0.968 115.467 114.554 -0.092 0.000 2.795 307 T HA 0.504 4.854 4.350 0.001 0.000 0.282 307 T C -0.497 174.046 174.700 -0.261 0.000 0.980 307 T CA -0.216 61.784 62.100 -0.167 0.000 1.012 307 T CB 1.055 69.847 68.868 -0.126 0.000 0.936 307 T HN 0.410 nan 8.240 nan 0.000 0.457 308 V N 5.136 124.841 119.914 -0.348 0.000 2.394 308 V HA 0.362 4.483 4.120 0.001 0.000 0.282 308 V C -0.276 175.450 176.094 -0.613 0.000 1.031 308 V CA -0.780 61.319 62.300 -0.334 0.000 0.881 308 V CB 0.980 32.739 31.823 -0.107 0.000 0.982 308 V HN 0.832 nan 8.190 nan 0.000 0.451 309 H N 4.612 123.366 119.070 -0.528 0.000 2.529 309 H HA 0.490 5.046 4.556 0.001 0.000 0.348 309 H C -0.393 174.680 175.328 -0.425 0.000 1.079 309 H CA -0.864 54.856 56.048 -0.546 0.000 1.198 309 H CB 1.895 31.130 29.762 -0.878 0.000 1.521 309 H HN 0.409 nan 8.280 nan 0.000 0.514 310 R N 3.005 123.452 120.500 -0.089 0.000 2.267 310 R HA 0.258 4.598 4.340 0.001 0.000 0.319 310 R C 0.181 176.500 176.300 0.032 0.000 1.067 310 R CA -0.496 55.577 56.100 -0.046 0.000 0.936 310 R CB 0.543 30.825 30.300 -0.031 0.000 1.006 310 R HN 0.556 nan 8.270 nan 0.000 0.452 311 I N 5.547 126.158 120.570 0.068 0.000 2.329 311 I HA 0.068 4.239 4.170 0.001 0.000 0.295 311 I C 0.836 176.985 176.117 0.053 0.000 1.109 311 I CA -0.217 61.158 61.300 0.125 0.000 1.297 311 I CB 0.268 38.371 38.000 0.172 0.000 1.433 311 I HN 0.277 nan 8.210 nan 0.000 0.509 312 L N 6.260 127.512 121.223 0.048 0.000 2.514 312 L HA 0.079 4.420 4.340 0.001 0.000 0.280 312 L C 1.541 178.418 176.870 0.012 0.000 1.223 312 L CA 0.897 55.749 54.840 0.021 0.000 0.864 312 L CB 0.185 42.252 42.059 0.015 0.000 1.118 312 L HN 0.971 nan 8.230 nan 0.000 0.494 313 G N 1.455 110.253 108.800 -0.003 0.000 2.417 313 G HA2 -0.316 3.645 3.960 0.001 0.000 0.233 313 G HA3 -0.316 3.645 3.960 0.001 0.000 0.233 313 G C 0.899 175.838 174.900 0.066 0.000 1.103 313 G CA 0.432 45.526 45.100 -0.010 0.000 0.647 313 G HN 0.642 nan 8.290 nan 0.000 0.512 314 Q N -0.252 119.577 119.800 0.047 0.000 2.402 314 Q HA 0.155 4.496 4.340 0.001 0.000 0.206 314 Q C 1.059 177.055 176.000 -0.007 0.000 0.919 314 Q CA 0.699 56.516 55.803 0.023 0.000 0.923 314 Q CB 0.272 28.977 28.738 -0.055 0.000 1.048 314 Q HN 0.624 nan 8.270 nan 0.000 0.515 315 Q N -0.663 119.144 119.800 0.013 0.000 2.481 315 Q HA -0.149 4.192 4.340 0.001 0.000 0.258 315 Q C -0.375 175.562 176.000 -0.106 0.000 0.961 315 Q CA 1.143 56.942 55.803 -0.007 0.000 1.121 315 Q CB -2.450 26.333 28.738 0.076 0.000 1.503 315 Q HN 0.348 nan 8.270 nan 0.000 0.544 316 V N -3.563 116.239 119.914 -0.187 0.000 3.040 316 V HA 0.930 5.050 4.120 0.001 0.000 0.312 316 V C -2.598 173.382 176.094 -0.190 0.000 1.115 316 V CA -2.191 59.931 62.300 -0.297 0.000 0.998 316 V CB 2.676 34.049 31.823 -0.750 0.000 1.042 316 V HN -0.106 nan 8.190 nan 0.000 0.433 317 P HA 0.596 nan 4.420 nan 0.000 0.287 317 P C -2.118 175.093 177.300 -0.149 0.000 1.290 317 P CA -0.475 62.499 63.100 -0.210 0.000 0.889 317 P CB 1.941 33.440 31.700 -0.334 0.000 1.190 318 Y N -1.429 118.785 120.300 -0.143 0.000 2.504 318 Y HA 0.824 5.375 4.550 0.003 0.000 0.344 318 Y C -1.648 174.197 175.900 -0.091 0.000 1.023 318 Y CA -1.625 56.325 58.100 -0.251 0.000 1.020 318 Y CB 0.987 39.029 38.460 -0.696 0.000 1.282 318 Y HN 0.576 nan 8.280 nan 0.000 0.454 319 A N 2.022 124.946 122.820 0.174 0.000 2.355 319 A HA 0.829 5.149 4.320 0.001 0.000 0.324 319 A C -0.817 176.921 177.584 0.257 0.000 1.117 319 A CA -0.625 51.537 52.037 0.209 0.000 0.785 319 A CB 1.729 20.952 19.000 0.372 0.000 1.254 319 A HN 0.958 nan 8.150 nan 0.000 0.453 320 T N 0.524 115.251 114.554 0.288 0.000 2.933 320 T HA 0.636 4.987 4.350 0.001 0.000 0.305 320 T C -1.325 173.508 174.700 0.222 0.000 1.092 320 T CA -0.544 61.775 62.100 0.365 0.000 1.008 320 T CB 0.894 70.009 68.868 0.411 0.000 1.102 320 T HN 0.787 nan 8.240 nan 0.000 0.469 321 K N 2.942 123.479 120.400 0.228 0.000 2.571 321 K HA 0.536 4.857 4.320 0.001 0.000 0.252 321 K C 0.499 177.171 176.600 0.120 0.000 0.956 321 K CA 0.205 56.492 56.287 0.001 0.000 0.822 321 K CB 1.054 33.298 32.500 -0.428 0.000 1.286 321 K HN 1.061 nan 8.250 nan 0.000 0.439 322 G N 3.426 112.284 108.800 0.097 0.000 2.574 322 G HA2 -0.387 3.573 3.960 0.001 0.000 0.286 322 G HA3 -0.387 3.573 3.960 0.001 0.000 0.286 322 G C 0.066 175.066 174.900 0.168 0.000 1.212 322 G CA 0.573 45.742 45.100 0.114 0.000 0.979 322 G HN 0.881 nan 8.290 nan 0.000 0.557 323 N N 1.209 120.010 118.700 0.168 0.000 2.295 323 N HA 0.160 4.901 4.740 0.001 0.000 0.221 323 N C 0.208 175.861 175.510 0.238 0.000 1.129 323 N CA 0.516 53.673 53.050 0.179 0.000 0.836 323 N CB 0.445 39.009 38.487 0.128 0.000 1.040 323 N HN 0.594 nan 8.380 nan 0.000 0.494 324 Q N 0.047 120.040 119.800 0.322 0.000 2.309 324 Q HA 0.350 4.691 4.340 0.001 0.000 0.264 324 Q C -1.508 174.802 176.000 0.517 0.000 1.008 324 Q CA -0.318 55.713 55.803 0.381 0.000 0.853 324 Q CB 2.124 31.125 28.738 0.437 0.000 1.314 324 Q HN 0.437 nan 8.270 nan 0.000 0.448 325 W N 2.054 123.478 121.300 0.206 0.000 3.097 325 W HA 0.561 5.222 4.660 0.002 0.000 0.335 325 W C -1.666 174.926 176.519 0.120 0.000 1.114 325 W CA -0.685 56.811 57.345 0.252 0.000 1.231 325 W CB 1.296 30.913 29.460 0.261 0.000 1.388 325 W HN 0.353 nan 8.180 nan 0.000 0.485 326 V N 5.999 125.925 119.914 0.019 0.000 2.733 326 V HA 0.853 4.974 4.120 0.001 0.000 0.306 326 V C -0.486 175.583 176.094 -0.042 0.000 1.084 326 V CA -0.426 61.854 62.300 -0.033 0.000 0.905 326 V CB 1.618 33.262 31.823 -0.298 0.000 1.010 326 V HN 0.712 nan 8.190 nan 0.000 0.424 327 G N 5.920 114.755 108.800 0.059 0.000 2.322 327 G HA2 0.653 4.614 3.960 0.001 0.000 0.309 327 G HA3 0.653 4.614 3.960 0.001 0.000 0.309 327 G C -1.170 173.669 174.900 -0.101 0.000 1.121 327 G CA -0.118 44.897 45.100 -0.141 0.000 0.886 327 G HN 1.253 nan 8.290 nan 0.000 0.447 328 Y N -0.588 119.629 120.300 -0.138 0.000 2.896 328 Y HA 0.721 5.271 4.550 0.000 0.000 0.317 328 Y C -1.178 174.853 175.900 0.218 0.000 1.444 328 Y CA -1.869 56.257 58.100 0.043 0.000 1.084 328 Y CB 1.012 39.522 38.460 0.083 0.000 1.382 328 Y HN 0.312 nan 8.280 nan 0.000 0.471 329 D N 0.912 121.401 120.400 0.149 0.000 2.498 329 D HA 0.333 4.974 4.640 0.001 0.000 0.247 329 D C -1.484 174.842 176.300 0.043 0.000 1.070 329 D CA -0.135 53.865 54.000 0.000 0.000 0.842 329 D CB 2.236 43.029 40.800 -0.011 0.000 1.361 329 D HN 0.723 nan 8.370 nan 0.000 0.484 330 D N -0.044 120.346 120.400 -0.018 0.000 2.654 330 D HA 0.142 4.783 4.640 0.001 0.000 0.255 330 D C 0.891 177.171 176.300 -0.033 0.000 1.101 330 D CA -0.451 53.568 54.000 0.031 0.000 1.116 330 D CB 0.634 41.583 40.800 0.248 0.000 1.348 330 D HN 0.039 nan 8.370 nan 0.000 0.609 331 Q N -0.515 119.291 119.800 0.009 0.000 2.152 331 Q HA -0.213 4.128 4.340 0.001 0.000 0.206 331 Q C 1.697 177.704 176.000 0.012 0.000 0.985 331 Q CA 2.043 57.853 55.803 0.013 0.000 0.863 331 Q CB -0.054 28.716 28.738 0.054 0.000 0.904 331 Q HN 0.658 nan 8.270 nan 0.000 0.422 332 E N -0.363 119.847 120.200 0.018 0.000 2.047 332 E HA -0.182 4.169 4.350 0.001 0.000 0.191 332 E C 2.010 178.603 176.600 -0.011 0.000 0.987 332 E CA 1.365 57.769 56.400 0.007 0.000 0.799 332 E CB 0.071 29.775 29.700 0.007 0.000 0.752 332 E HN 0.433 nan 8.360 nan 0.000 0.449 333 S N 0.397 116.077 115.700 -0.034 0.000 2.368 333 S HA -0.145 4.325 4.470 0.001 0.000 0.224 333 S C 2.285 176.859 174.600 -0.042 0.000 1.029 333 S CA 1.358 59.525 58.200 -0.054 0.000 0.988 333 S CB -0.898 62.243 63.200 -0.099 0.000 0.838 333 S HN 0.278 nan 8.310 nan 0.000 0.462 334 V N 0.420 120.313 119.914 -0.036 0.000 2.594 334 V HA -0.045 4.076 4.120 0.001 0.000 0.253 334 V C 2.470 178.559 176.094 -0.009 0.000 1.069 334 V CA 1.983 64.270 62.300 -0.023 0.000 1.082 334 V CB -1.139 30.671 31.823 -0.023 0.000 0.680 334 V HN 0.443 nan 8.190 nan 0.000 0.469 335 K N 0.958 121.356 120.400 -0.003 0.000 2.026 335 K HA -0.123 4.197 4.320 0.001 0.000 0.208 335 K C 2.404 179.014 176.600 0.016 0.000 1.048 335 K CA 1.826 58.117 56.287 0.007 0.000 0.929 335 K CB -0.307 32.201 32.500 0.013 0.000 0.713 335 K HN 0.577 nan 8.250 nan 0.000 0.439 336 S N 0.950 116.661 115.700 0.018 0.000 2.368 336 S HA -0.124 4.347 4.470 0.001 0.000 0.225 336 S C 1.664 176.295 174.600 0.051 0.000 1.030 336 S CA 1.308 59.534 58.200 0.043 0.000 0.999 336 S CB -0.159 63.065 63.200 0.040 0.000 0.844 336 S HN 0.311 nan 8.310 nan 0.000 0.459 337 K N 0.712 121.116 120.400 0.006 0.000 2.097 337 K HA -0.039 4.282 4.320 0.001 0.000 0.206 337 K C 2.034 178.668 176.600 0.057 0.000 1.049 337 K CA 1.118 57.407 56.287 0.004 0.000 0.933 337 K CB -0.354 32.126 32.500 -0.032 0.000 0.717 337 K HN 0.185 nan 8.250 nan 0.000 0.442 338 V N 1.193 121.117 119.914 0.016 0.000 2.358 338 V HA -0.252 3.868 4.120 0.001 0.000 0.246 338 V C 2.410 178.487 176.094 -0.028 0.000 1.047 338 V CA 1.747 64.028 62.300 -0.031 0.000 1.035 338 V CB -0.445 31.346 31.823 -0.052 0.000 0.658 338 V HN 0.300 nan 8.190 nan 0.000 0.452 339 Q N -0.262 119.550 119.800 0.020 0.000 2.045 339 Q HA -0.287 4.054 4.340 0.001 0.000 0.206 339 Q C 2.087 178.122 176.000 0.059 0.000 0.991 339 Q CA 2.541 58.366 55.803 0.037 0.000 0.851 339 Q CB -0.722 28.059 28.738 0.071 0.000 0.911 339 Q HN 0.724 nan 8.270 nan 0.000 0.418 340 Y N 0.598 120.891 120.300 -0.012 0.000 2.097 340 Y HA -0.287 4.264 4.550 0.001 0.000 0.282 340 Y C 1.853 177.736 175.900 -0.028 0.000 1.152 340 Y CA 2.128 60.226 58.100 -0.004 0.000 1.136 340 Y CB -0.576 37.847 38.460 -0.061 0.000 0.975 340 Y HN 0.334 nan 8.280 nan 0.000 0.498 341 L N -0.021 121.204 121.223 0.003 0.000 2.131 341 L HA -0.093 4.247 4.340 0.001 0.000 0.210 341 L C 1.924 178.692 176.870 -0.171 0.000 1.092 341 L CA 1.886 56.663 54.840 -0.105 0.000 0.759 341 L CB -1.015 41.024 42.059 -0.034 0.000 0.903 341 L HN 0.021 nan 8.230 nan 0.000 0.435 342 K N 0.035 120.331 120.400 -0.174 0.000 2.062 342 K HA -0.101 4.220 4.320 0.001 0.000 0.205 342 K C 1.785 178.357 176.600 -0.047 0.000 1.051 342 K CA 1.370 57.585 56.287 -0.120 0.000 0.941 342 K CB -0.303 32.128 32.500 -0.114 0.000 0.719 342 K HN 0.344 nan 8.250 nan 0.000 0.440 343 D N 0.406 120.753 120.400 -0.088 0.000 2.218 343 D HA -0.126 4.515 4.640 0.001 0.000 0.204 343 D C 1.693 177.916 176.300 -0.128 0.000 0.976 343 D CA 0.905 54.855 54.000 -0.083 0.000 0.853 343 D CB 0.077 40.829 40.800 -0.079 0.000 0.939 343 D HN 0.023 nan 8.370 nan 0.000 0.481 344 R N 0.154 120.524 120.500 -0.218 0.000 2.297 344 R HA 0.107 4.448 4.340 0.001 0.000 0.197 344 R C 0.280 176.531 176.300 -0.082 0.000 0.943 344 R CA 0.047 56.023 56.100 -0.208 0.000 1.038 344 R CB 0.042 30.127 30.300 -0.358 0.000 0.957 344 R HN 0.301 nan 8.270 nan 0.000 0.484 345 Q N 0.663 120.449 119.800 -0.023 0.000 2.478 345 Q HA -0.167 4.174 4.340 0.001 0.000 0.286 345 Q C -0.691 175.355 176.000 0.076 0.000 1.299 345 Q CA 0.343 56.184 55.803 0.063 0.000 0.826 345 Q CB -1.750 27.009 28.738 0.035 0.000 1.199 345 Q HN 0.280 nan 8.270 nan 0.000 0.451 346 L N -1.268 119.993 121.223 0.064 0.000 2.468 346 L HA 0.406 4.746 4.340 0.001 0.000 0.254 346 L C 1.676 178.635 176.870 0.150 0.000 1.171 346 L CA 0.324 55.204 54.840 0.066 0.000 0.809 346 L CB 0.235 42.307 42.059 0.023 0.000 1.155 346 L HN 0.283 nan 8.230 nan 0.000 0.473 347 A N 0.613 123.498 122.820 0.109 0.000 2.019 347 A HA 0.293 4.614 4.320 0.001 0.000 0.219 347 A C 0.973 178.659 177.584 0.170 0.000 1.164 347 A CA 1.515 53.622 52.037 0.117 0.000 0.644 347 A CB -0.467 18.555 19.000 0.037 0.000 0.805 347 A HN 1.011 nan 8.150 nan 0.000 0.449 348 G N -3.051 105.798 108.800 0.081 0.000 2.356 348 G HA2 0.560 4.521 3.960 0.001 0.000 0.266 348 G HA3 0.560 4.521 3.960 0.001 0.000 0.266 348 G C -0.777 174.105 174.900 -0.031 0.000 1.312 348 G CA -0.169 44.935 45.100 0.007 0.000 0.922 348 G HN 1.277 nan 8.290 nan 0.000 0.480 349 A N -0.417 122.386 122.820 -0.027 0.000 2.356 349 A HA 0.871 5.192 4.320 0.001 0.000 0.323 349 A C -0.186 177.427 177.584 0.049 0.000 1.119 349 A CA -0.460 51.590 52.037 0.021 0.000 0.790 349 A CB 1.818 20.829 19.000 0.018 0.000 1.273 349 A HN 1.496 nan 8.150 nan 0.000 0.452 350 M N 2.390 122.068 119.600 0.131 0.000 2.393 350 M HA 0.606 5.087 4.480 0.001 0.000 0.316 350 M C -2.043 174.434 176.300 0.296 0.000 1.087 350 M CA -0.558 54.870 55.300 0.213 0.000 0.937 350 M CB 1.451 34.236 32.600 0.309 0.000 1.668 350 M HN 0.393 nan 8.290 nan 0.000 0.438 351 V N 5.392 125.493 119.914 0.312 0.000 2.495 351 V HA 0.523 4.644 4.120 0.001 0.000 0.298 351 V C -1.269 175.090 176.094 0.441 0.000 1.031 351 V CA -0.572 61.919 62.300 0.319 0.000 0.871 351 V CB 2.116 34.051 31.823 0.187 0.000 0.988 351 V HN 0.867 nan 8.190 nan 0.000 0.432 352 W N 5.962 127.410 121.300 0.248 0.000 2.543 352 W HA 0.792 5.453 4.660 0.001 0.000 0.318 352 W C -0.754 175.869 176.519 0.172 0.000 1.002 352 W CA -0.536 56.917 57.345 0.180 0.000 1.302 352 W CB 1.676 31.186 29.460 0.083 0.000 1.299 352 W HN 0.708 nan 8.180 nan 0.000 0.424 353 A N 4.780 127.482 122.820 -0.196 0.000 2.566 353 A HA 0.505 4.825 4.320 0.001 0.000 0.292 353 A C 0.282 177.780 177.584 -0.144 0.000 1.112 353 A CA -0.658 51.097 52.037 -0.470 0.000 0.707 353 A CB 1.451 19.689 19.000 -1.271 0.000 1.302 353 A HN 0.598 nan 8.150 nan 0.000 0.409 354 L N -0.106 121.072 121.223 -0.075 0.000 2.127 354 L HA -0.188 4.153 4.340 0.001 0.000 0.211 354 L C 1.643 178.624 176.870 0.185 0.000 1.089 354 L CA 2.111 57.039 54.840 0.146 0.000 0.757 354 L CB -0.411 41.721 42.059 0.123 0.000 0.899 354 L HN 0.955 nan 8.230 nan 0.000 0.434 355 D N -1.025 119.328 120.400 -0.078 0.000 2.349 355 D HA -0.076 4.564 4.640 0.001 0.000 0.224 355 D C 1.697 178.034 176.300 0.061 0.000 1.029 355 D CA 0.532 54.420 54.000 -0.187 0.000 0.879 355 D CB -0.107 40.428 40.800 -0.443 0.000 0.906 355 D HN 0.310 nan 8.370 nan 0.000 0.528 356 L N -0.765 120.507 121.223 0.082 0.000 2.609 356 L HA 0.198 4.539 4.340 0.001 0.000 0.230 356 L C 0.919 177.928 176.870 0.232 0.000 1.087 356 L CA -0.252 54.654 54.840 0.111 0.000 0.874 356 L CB 0.138 42.226 42.059 0.049 0.000 1.114 356 L HN -0.023 nan 8.230 nan 0.000 0.488 357 D N 0.545 121.126 120.400 0.300 0.000 2.398 357 D HA -0.048 4.593 4.640 0.001 0.000 0.247 357 D C -0.278 176.239 176.300 0.362 0.000 1.227 357 D CA -0.114 54.088 54.000 0.337 0.000 0.980 357 D CB 0.956 41.961 40.800 0.342 0.000 1.106 357 D HN -0.143 nan 8.370 nan 0.000 0.493 358 D N 0.794 121.359 120.400 0.275 0.000 2.551 358 D HA -0.002 4.638 4.640 0.001 0.000 0.223 358 D C 0.951 177.078 176.300 -0.289 0.000 1.144 358 D CA -0.345 53.675 54.000 0.033 0.000 1.025 358 D CB -0.971 39.893 40.800 0.107 0.000 1.085 358 D HN 0.345 nan 8.370 nan 0.000 0.506 359 F N 0.889 120.528 119.950 -0.518 0.000 2.407 359 F HA -0.026 4.502 4.527 0.002 0.000 0.299 359 F C 1.670 177.117 175.800 -0.588 0.000 1.097 359 F CA 0.485 57.832 58.000 -1.089 0.000 1.422 359 F CB -0.322 38.188 39.000 -0.817 0.000 1.067 359 F HN 0.134 nan 8.300 nan 0.000 0.539 360 Q N 1.205 120.400 119.800 -1.008 0.000 2.187 360 Q HA 0.109 4.449 4.340 0.001 0.000 0.199 360 Q C 2.096 177.920 176.000 -0.294 0.000 0.957 360 Q CA 1.138 56.583 55.803 -0.597 0.000 0.857 360 Q CB -0.587 27.777 28.738 -0.624 0.000 0.929 360 Q HN 0.719 nan 8.270 nan 0.000 0.453 361 G N 1.120 109.775 108.800 -0.242 0.000 2.155 361 G HA2 -0.315 3.646 3.960 0.001 0.000 0.257 361 G HA3 -0.315 3.646 3.960 0.001 0.000 0.257 361 G C 0.926 175.780 174.900 -0.077 0.000 0.983 361 G CA 0.935 45.975 45.100 -0.100 0.000 0.676 361 G HN 0.480 nan 8.290 nan 0.000 0.528 362 S N -1.464 114.165 115.700 -0.117 0.000 2.511 362 S HA 0.436 4.906 4.470 0.001 0.000 0.214 362 S C 1.614 176.057 174.600 -0.261 0.000 0.997 362 S CA 0.704 58.779 58.200 -0.207 0.000 0.908 362 S CB -0.074 62.926 63.200 -0.334 0.000 0.803 362 S HN 0.229 nan 8.310 nan 0.000 0.504 363 F N 1.465 121.308 119.950 -0.179 0.000 2.317 363 F HA 0.238 4.765 4.527 0.001 0.000 0.293 363 F C 2.047 177.791 175.800 -0.094 0.000 1.085 363 F CA -0.057 57.868 58.000 -0.125 0.000 1.390 363 F CB -0.379 38.550 39.000 -0.119 0.000 1.077 363 F HN 0.274 nan 8.300 nan 0.000 0.517 364 c N 0.211 118.872 118.600 0.101 0.000 2.754 364 c HA 0.634 5.205 4.570 0.001 0.000 0.276 364 c C 1.315 175.426 174.090 0.035 0.000 1.264 364 c CA -0.147 56.207 56.329 0.042 0.000 1.700 364 c CB -1.504 41.039 42.510 0.054 0.000 1.885 364 c HN 0.718 nan 8.230 nan 0.000 0.607 365 G N 1.196 110.002 108.800 0.011 0.000 2.741 365 G HA2 -0.026 3.934 3.960 0.001 0.000 0.222 365 G HA3 -0.026 3.934 3.960 0.001 0.000 0.222 365 G C 0.137 175.047 174.900 0.016 0.000 1.364 365 G CA 0.247 45.347 45.100 -0.001 0.000 0.866 365 G HN 0.394 nan 8.290 nan 0.000 0.555 366 Q N -1.125 118.682 119.800 0.013 0.000 2.305 366 Q HA -0.217 4.124 4.340 0.001 0.000 0.203 366 Q C 0.974 176.984 176.000 0.018 0.000 0.663 366 Q CA 2.249 58.065 55.803 0.022 0.000 1.389 366 Q CB -2.128 26.636 28.738 0.043 0.000 1.566 366 Q HN 1.735 nan 8.270 nan 0.000 0.755 367 D N -1.466 118.935 120.400 0.002 0.000 3.059 367 D HA -0.221 4.420 4.640 0.001 0.000 0.222 367 D C 0.171 176.479 176.300 0.012 0.000 1.185 367 D CA 1.278 55.274 54.000 -0.007 0.000 0.904 367 D CB -0.892 39.903 40.800 -0.009 0.000 1.122 367 D HN 0.387 nan 8.370 nan 0.000 0.410 368 L N 1.021 122.264 121.223 0.034 0.000 2.305 368 L HA 0.272 4.613 4.340 0.001 0.000 0.281 368 L C 0.478 177.386 176.870 0.063 0.000 1.085 368 L CA -0.099 54.778 54.840 0.061 0.000 0.813 368 L CB 0.732 42.838 42.059 0.079 0.000 1.157 368 L HN -0.122 nan 8.230 nan 0.000 0.436 369 R N 4.337 124.892 120.500 0.090 0.000 2.459 369 R HA 0.372 4.712 4.340 0.001 0.000 0.281 369 R C -0.546 175.888 176.300 0.223 0.000 1.050 369 R CA -0.633 55.502 56.100 0.058 0.000 1.055 369 R CB 0.401 30.765 30.300 0.107 0.000 1.045 369 R HN 0.633 nan 8.270 nan 0.000 0.495 370 F N 0.639 120.672 119.950 0.139 0.000 2.943 370 F HA -0.184 4.344 4.527 0.001 0.000 0.258 370 F C -1.263 174.607 175.800 0.117 0.000 0.995 370 F CA -0.107 57.980 58.000 0.143 0.000 0.896 370 F CB -1.173 37.900 39.000 0.122 0.000 0.821 370 F HN 0.574 nan 8.300 nan 0.000 0.828 371 P HA -0.221 nan 4.420 nan 0.000 0.215 371 P C 1.826 179.198 177.300 0.121 0.000 1.157 371 P CA 1.756 64.965 63.100 0.183 0.000 0.874 371 P CB 0.242 32.076 31.700 0.225 0.000 0.790 372 L N -0.803 120.457 121.223 0.062 0.000 2.027 372 L HA -0.105 4.236 4.340 0.001 0.000 0.206 372 L C 2.714 179.612 176.870 0.046 0.000 1.074 372 L CA 2.128 56.943 54.840 -0.042 0.000 0.745 372 L CB -1.697 40.241 42.059 -0.202 0.000 0.898 372 L HN 0.029 nan 8.230 nan 0.000 0.433 373 T N -0.760 113.869 114.554 0.124 0.000 2.746 373 T HA -0.133 4.218 4.350 0.001 0.000 0.267 373 T C 1.767 176.524 174.700 0.094 0.000 1.039 373 T CA 1.155 63.325 62.100 0.116 0.000 1.142 373 T CB -0.254 68.703 68.868 0.147 0.000 0.866 373 T HN 0.258 nan 8.240 nan 0.000 0.444 374 N N 1.230 120.008 118.700 0.129 0.000 2.166 374 N HA -0.004 4.737 4.740 0.001 0.000 0.186 374 N C 2.148 177.702 175.510 0.074 0.000 1.019 374 N CA 1.232 54.344 53.050 0.103 0.000 0.856 374 N CB -0.359 38.209 38.487 0.135 0.000 0.993 374 N HN 0.427 nan 8.380 nan 0.000 0.426 375 A N 1.171 124.032 122.820 0.068 0.000 1.933 375 A HA -0.072 4.249 4.320 0.001 0.000 0.218 375 A C 2.312 179.916 177.584 0.034 0.000 1.175 375 A CA 0.850 52.915 52.037 0.046 0.000 0.628 375 A CB -0.530 18.490 19.000 0.034 0.000 0.814 375 A HN 0.215 nan 8.150 nan 0.000 0.444 376 I N -0.647 119.943 120.570 0.033 0.000 2.252 376 I HA -0.242 3.929 4.170 0.001 0.000 0.245 376 I C 2.549 178.680 176.117 0.023 0.000 1.102 376 I CA 1.756 63.069 61.300 0.022 0.000 1.385 376 I CB -0.266 37.751 38.000 0.029 0.000 1.064 376 I HN 0.391 nan 8.210 nan 0.000 0.414 377 K N 1.080 121.502 120.400 0.037 0.000 2.032 377 K HA -0.240 4.080 4.320 0.001 0.000 0.209 377 K C 1.701 178.327 176.600 0.043 0.000 1.048 377 K CA 2.085 58.397 56.287 0.042 0.000 0.927 377 K CB -0.095 32.432 32.500 0.046 0.000 0.712 377 K HN 0.219 nan 8.250 nan 0.000 0.441 378 D N 0.490 120.914 120.400 0.041 0.000 2.104 378 D HA -0.176 4.465 4.640 0.001 0.000 0.194 378 D C 1.847 178.168 176.300 0.035 0.000 0.994 378 D CA 1.535 55.559 54.000 0.039 0.000 0.830 378 D CB -0.360 40.463 40.800 0.038 0.000 0.959 378 D HN 0.398 nan 8.370 nan 0.000 0.452 379 A N 0.758 123.593 122.820 0.025 0.000 1.940 379 A HA -0.134 4.187 4.320 0.001 0.000 0.219 379 A C 2.428 180.017 177.584 0.008 0.000 1.176 379 A CA 0.930 52.975 52.037 0.014 0.000 0.631 379 A CB -0.794 18.207 19.000 0.001 0.000 0.814 379 A HN 0.212 nan 8.150 nan 0.000 0.446 380 L N -1.125 120.101 121.223 0.006 0.000 2.083 380 L HA -0.169 4.172 4.340 0.001 0.000 0.209 380 L C 2.923 179.880 176.870 0.144 0.000 1.083 380 L CA 1.037 55.888 54.840 0.018 0.000 0.752 380 L CB -0.345 41.735 42.059 0.036 0.000 0.899 380 L HN 0.451 nan 8.230 nan 0.000 0.433 381 A N -0.260 122.622 122.820 0.103 0.000 2.072 381 A HA 0.286 4.606 4.320 0.001 0.000 0.216 381 A C 1.471 179.101 177.584 0.077 0.000 1.156 381 A CA 0.575 52.671 52.037 0.097 0.000 0.701 381 A CB -0.349 18.690 19.000 0.065 0.000 0.816 381 A HN 0.297 nan 8.150 nan 0.000 0.458 382 A N -0.796 122.061 122.820 0.063 0.000 2.387 382 A HA 0.478 4.798 4.320 0.001 0.000 0.251 382 A C 0.989 178.607 177.584 0.056 0.000 1.113 382 A CA 0.812 52.879 52.037 0.049 0.000 0.794 382 A CB -0.606 18.417 19.000 0.038 0.000 1.069 382 A HN 1.158 nan 8.150 nan 0.000 0.506 383 T N 0.000 114.579 114.554 0.042 0.000 3.816 383 T HA 0.000 4.351 4.350 0.001 0.000 0.228 383 T CA 0.000 62.124 62.100 0.040 0.000 1.349 383 T CB 0.000 68.897 68.868 0.048 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658