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 1sie_1_C DATA FIRST_RESID 17 DATA SEQUENCE KACPRPAPVP KLLIKGGMEV LDLVTGPDSV TEIEAFLNPR MGQPPTPESL DATA SEQUENCE TEGGQYYGWS RGINLATSDT EDSPGNNTLP TWSMAKLQLP MLNEDLTCDT DATA SEQUENCE LQMWEAVSVK TEVVGSGSLL DVHGFNKPTD TVNTKGISTP VEGSQYHVFA DATA SEQUENCE VGGEPLDLQG LVTDARTKYK EEGVVTIKTI TKKDMVNKDQ VLNPISKAKL DATA SEQUENCE DKDGMYPVEI WHPDPAKNEN TRYFGNYTGG TTTPPVLQFT NTLTTVLLDE DATA SEQUENCE NGVGPLCKGE GLYLSCVDIM GWRVTRNYDV HHWRGLPRYF KITLRKRWVK DATA SEQUENCE NPYPMASLIS SLFNNMLPQV QGQPMEGENT QVEEVRVYDG TEPVPGDPDM DATA SEQUENCE TRYVDRF 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.601 176.600 0.002 0.000 0.988 17 K CA 0.000 56.288 56.287 0.002 0.000 0.838 17 K CB 0.000 32.501 32.500 0.002 0.000 1.064 18 A N 1.722 124.543 122.820 0.002 0.000 2.444 18 A HA 0.470 4.790 4.320 -0.000 0.000 0.332 18 A C -0.309 177.276 177.584 0.002 0.000 1.430 18 A CA -0.432 51.606 52.037 0.002 0.000 0.975 18 A CB -0.282 18.719 19.000 0.002 0.000 1.147 18 A HN 0.619 nan 8.150 nan 0.000 0.524 19 C N 2.914 122.215 119.300 0.002 0.000 2.398 19 C HA 0.559 5.019 4.460 -0.000 0.000 0.364 19 C C -1.568 173.423 174.990 0.002 0.000 1.219 19 C CA -0.667 58.352 59.018 0.002 0.000 2.312 19 C CB 0.400 28.141 27.740 0.003 0.000 2.428 19 C HN 0.757 nan 8.230 nan 0.000 0.564 20 P HA 0.252 nan 4.420 nan 0.000 0.269 20 P C -0.441 176.861 177.300 0.003 0.000 1.209 20 P CA -0.045 63.056 63.100 0.002 0.000 0.776 20 P CB 0.371 32.072 31.700 0.002 0.000 0.876 21 R N 2.751 123.253 120.500 0.003 0.000 2.312 21 R HA 0.326 4.666 4.340 -0.000 0.000 0.310 21 R C -2.136 174.166 176.300 0.004 0.000 1.064 21 R CA -1.609 54.493 56.100 0.004 0.000 0.983 21 R CB 0.113 30.416 30.300 0.004 0.000 1.139 21 R HN 0.438 nan 8.270 nan 0.000 0.536 22 P HA -0.024 nan 4.420 nan 0.000 0.266 22 P C -0.820 176.483 177.300 0.005 0.000 1.193 22 P CA -0.008 63.094 63.100 0.004 0.000 0.770 22 P CB 0.680 32.383 31.700 0.004 0.000 0.836 23 A N 4.662 127.485 122.820 0.004 0.000 2.546 23 A HA 0.246 4.566 4.320 -0.000 0.000 0.243 23 A C -1.683 175.905 177.584 0.006 0.000 1.063 23 A CA -0.721 51.319 52.037 0.005 0.000 0.757 23 A CB -1.004 17.999 19.000 0.005 0.000 0.991 23 A HN 0.441 nan 8.150 nan 0.000 0.503 24 P HA 0.444 nan 4.420 nan 0.000 0.279 24 P C -0.793 176.513 177.300 0.009 0.000 1.239 24 P CA -0.105 63.001 63.100 0.009 0.000 0.789 24 P CB 1.194 32.899 31.700 0.009 0.000 0.933 25 V N 3.437 123.357 119.914 0.010 0.000 3.078 25 V HA 0.401 4.521 4.120 -0.000 0.000 0.311 25 V C -2.147 173.955 176.094 0.013 0.000 1.138 25 V CA -1.669 60.638 62.300 0.011 0.000 1.007 25 V CB 1.760 33.589 31.823 0.010 0.000 1.045 25 V HN 0.612 nan 8.190 nan 0.000 0.432 26 P HA 0.194 nan 4.420 nan 0.000 0.267 26 P C -0.946 176.363 177.300 0.016 0.000 1.205 26 P CA -0.336 62.774 63.100 0.017 0.000 0.765 26 P CB 0.507 32.218 31.700 0.018 0.000 0.828 27 K N 3.997 124.407 120.400 0.016 0.000 2.297 27 K HA 0.309 4.629 4.320 -0.000 0.000 0.286 27 K C -0.193 176.417 176.600 0.017 0.000 1.053 27 K CA -0.790 55.506 56.287 0.015 0.000 0.940 27 K CB 0.663 33.172 32.500 0.015 0.000 1.019 27 K HN 0.425 nan 8.250 nan 0.000 0.475 28 L N 4.442 125.674 121.223 0.015 0.000 2.439 28 L HA 0.045 4.385 4.340 -0.000 0.000 0.269 28 L C 0.258 177.137 176.870 0.016 0.000 1.179 28 L CA -0.092 54.757 54.840 0.015 0.000 0.828 28 L CB 0.569 42.636 42.059 0.013 0.000 1.106 28 L HN 0.906 nan 8.230 nan 0.000 0.467 29 L N 5.388 126.622 121.223 0.018 0.000 2.445 29 L HA 0.441 4.781 4.340 -0.000 0.000 0.207 29 L C 0.134 177.014 176.870 0.017 0.000 1.053 29 L CA 0.332 55.183 54.840 0.019 0.000 0.841 29 L CB 0.543 42.617 42.059 0.024 0.000 1.074 29 L HN 0.598 nan 8.230 nan 0.000 0.479 30 I N -0.913 119.667 120.570 0.016 0.000 2.721 30 I HA 0.205 4.375 4.170 -0.000 0.000 0.292 30 I C -1.881 174.243 176.117 0.011 0.000 1.674 30 I CA -0.671 60.637 61.300 0.013 0.000 0.993 30 I CB 1.615 39.624 38.000 0.014 0.000 1.448 30 I HN -0.056 nan 8.210 nan 0.000 0.500 31 K N 5.498 125.903 120.400 0.009 0.000 2.385 31 K HA 0.970 5.290 4.320 -0.000 0.000 0.248 31 K C -0.583 176.021 176.600 0.008 0.000 0.955 31 K CA 0.227 56.519 56.287 0.008 0.000 0.816 31 K CB 2.410 34.916 32.500 0.010 0.000 1.250 31 K HN 1.079 nan 8.250 nan 0.000 0.434 32 G N 0.628 109.432 108.800 0.006 0.000 2.373 32 G HA2 0.291 4.251 3.960 -0.000 0.000 0.250 32 G HA3 0.291 4.251 3.960 -0.000 0.000 0.250 32 G C -0.555 174.347 174.900 0.003 0.000 1.304 32 G CA -0.475 44.629 45.100 0.007 0.000 0.948 32 G HN 0.879 nan 8.290 nan 0.000 0.474 33 G N -1.461 107.340 108.800 0.001 0.000 2.543 33 G HA2 0.496 4.456 3.960 -0.000 0.000 0.267 33 G HA3 0.496 4.456 3.960 -0.000 0.000 0.267 33 G C 1.266 176.155 174.900 -0.019 0.000 1.406 33 G CA 0.164 45.261 45.100 -0.005 0.000 1.048 33 G HN 0.461 nan 8.290 nan 0.000 0.548 34 M N 0.881 120.465 119.600 -0.028 0.000 2.260 34 M HA -0.094 4.386 4.480 -0.000 0.000 0.261 34 M C 2.460 178.743 176.300 -0.027 0.000 1.066 34 M CA 1.243 56.517 55.300 -0.043 0.000 1.082 34 M CB -0.977 31.593 32.600 -0.050 0.000 1.388 34 M HN 0.779 nan 8.290 nan 0.000 0.419 35 E N -0.081 120.111 120.200 -0.014 0.000 2.268 35 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 35 E C 1.879 178.481 176.600 0.002 0.000 0.995 35 E CA 1.018 57.416 56.400 -0.004 0.000 0.836 35 E CB -1.086 28.614 29.700 -0.000 0.000 0.763 35 E HN 0.336 nan 8.360 nan 0.000 0.491 36 V N 1.255 121.168 119.914 -0.002 0.000 2.720 36 V HA -0.212 3.908 4.120 -0.000 0.000 0.256 36 V C 2.412 178.515 176.094 0.014 0.000 1.082 36 V CA 1.010 63.313 62.300 0.005 0.000 1.101 36 V CB -0.577 31.246 31.823 -0.000 0.000 0.693 36 V HN 0.189 nan 8.190 nan 0.000 0.479 37 L N 0.318 121.545 121.223 0.007 0.000 2.012 37 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 37 L C 2.133 179.047 176.870 0.074 0.000 1.073 37 L CA 1.974 56.834 54.840 0.034 0.000 0.748 37 L CB -1.388 40.675 42.059 0.006 0.000 0.891 37 L HN 0.356 nan 8.230 nan 0.000 0.431 38 D N -0.589 119.841 120.400 0.049 0.000 2.315 38 D HA -0.130 4.510 4.640 -0.000 0.000 0.211 38 D C 0.952 177.279 176.300 0.045 0.000 0.977 38 D CA 0.333 54.362 54.000 0.048 0.000 0.894 38 D CB -0.317 40.500 40.800 0.029 0.000 0.910 38 D HN 0.079 nan 8.370 nan 0.000 0.490 39 L N 0.996 122.246 121.223 0.044 0.000 2.453 39 L HA 0.025 4.365 4.340 -0.000 0.000 0.272 39 L C -0.244 176.655 176.870 0.049 0.000 1.182 39 L CA -0.253 54.611 54.840 0.039 0.000 0.858 39 L CB 0.774 42.854 42.059 0.035 0.000 1.120 39 L HN -0.240 nan 8.230 nan 0.000 0.474 40 V N 6.622 126.557 119.914 0.034 0.000 2.434 40 V HA -0.013 4.107 4.120 -0.000 0.000 0.281 40 V C 1.421 177.534 176.094 0.031 0.000 1.005 40 V CA 0.760 63.076 62.300 0.026 0.000 1.089 40 V CB -0.383 31.450 31.823 0.017 0.000 0.978 40 V HN 1.108 nan 8.190 nan 0.000 0.474 41 T N 2.807 117.383 114.554 0.037 0.000 2.612 41 T HA 0.367 4.717 4.350 -0.000 0.000 0.251 41 T C 1.129 175.842 174.700 0.021 0.000 1.090 41 T CA 0.791 62.919 62.100 0.047 0.000 1.198 41 T CB -0.202 68.721 68.868 0.090 0.000 0.878 41 T HN 1.226 nan 8.240 nan 0.000 0.401 42 G N 1.579 110.375 108.800 -0.007 0.000 2.249 42 G HA2 0.232 4.192 3.960 -0.000 0.000 0.089 42 G HA3 0.232 4.192 3.960 -0.000 0.000 0.089 42 G C -2.310 172.570 174.900 -0.034 0.000 1.206 42 G CA 0.121 45.218 45.100 -0.004 0.000 1.190 42 G HN 0.479 nan 8.290 nan 0.000 0.454 43 P HA 0.285 nan 4.420 nan 0.000 0.501 43 P C -0.340 176.936 177.300 -0.039 0.000 1.067 43 P CA 0.634 63.702 63.100 -0.054 0.000 2.185 43 P CB 1.711 33.424 31.700 0.022 0.000 1.236 44 D N 0.260 120.664 120.400 0.007 0.000 2.388 44 D HA 0.140 4.780 4.640 -0.000 0.000 0.221 44 D C 0.042 176.364 176.300 0.037 0.000 1.133 44 D CA 0.229 54.243 54.000 0.023 0.000 0.831 44 D CB 0.277 41.097 40.800 0.034 0.000 0.962 44 D HN 0.054 nan 8.370 nan 0.000 0.502 45 S N 0.511 116.235 115.700 0.039 0.000 2.549 45 S HA 0.244 4.714 4.470 -0.000 0.000 0.286 45 S C 0.435 175.102 174.600 0.111 0.000 1.314 45 S CA -0.389 57.853 58.200 0.069 0.000 1.062 45 S CB 1.661 64.908 63.200 0.079 0.000 0.865 45 S HN -0.030 nan 8.310 nan 0.000 0.498 46 V N 2.528 122.500 119.914 0.097 0.000 2.735 46 V HA 0.611 4.731 4.120 -0.000 0.000 0.310 46 V C -0.023 176.104 176.094 0.055 0.000 1.061 46 V CA -0.804 61.550 62.300 0.090 0.000 0.913 46 V CB 2.165 34.021 31.823 0.055 0.000 1.005 46 V HN 0.922 nan 8.190 nan 0.000 0.428 47 T N 2.628 117.188 114.554 0.011 0.000 2.841 47 T HA 0.505 4.855 4.350 -0.000 0.000 0.283 47 T C -0.578 174.067 174.700 -0.093 0.000 1.000 47 T CA -0.571 61.484 62.100 -0.076 0.000 0.977 47 T CB 1.699 70.435 68.868 -0.220 0.000 0.979 47 T HN 0.737 nan 8.240 nan 0.000 0.446 48 E N 2.675 122.829 120.200 -0.076 0.000 2.489 48 E HA 0.313 4.663 4.350 -0.000 0.000 0.232 48 E C -0.386 176.165 176.600 -0.081 0.000 0.990 48 E CA -0.276 56.086 56.400 -0.063 0.000 0.768 48 E CB 0.816 30.503 29.700 -0.023 0.000 1.270 48 E HN 0.547 nan 8.360 nan 0.000 0.423 49 I N 1.680 122.177 120.570 -0.122 0.000 2.474 49 I HA 0.142 4.312 4.170 -0.000 0.000 0.287 49 I C 0.404 176.451 176.117 -0.118 0.000 1.048 49 I CA 0.187 61.409 61.300 -0.130 0.000 1.383 49 I CB 0.776 38.667 38.000 -0.180 0.000 1.412 49 I HN 0.352 nan 8.210 nan 0.000 0.531 50 E N 5.416 125.555 120.200 -0.101 0.000 2.373 50 E HA 0.652 5.002 4.350 -0.000 0.000 0.251 50 E C -1.271 175.284 176.600 -0.074 0.000 0.923 50 E CA -0.322 55.998 56.400 -0.134 0.000 0.798 50 E CB 1.517 31.192 29.700 -0.043 0.000 1.303 50 E HN 0.785 nan 8.360 nan 0.000 0.412 51 A N 2.969 125.720 122.820 -0.116 0.000 2.548 51 A HA 0.955 5.275 4.320 -0.000 0.000 0.282 51 A C -1.406 176.273 177.584 0.158 0.000 1.288 51 A CA -0.630 51.404 52.037 -0.005 0.000 0.748 51 A CB 0.860 19.748 19.000 -0.186 0.000 1.339 51 A HN 0.530 nan 8.150 nan 0.000 0.475 52 F N -2.394 117.636 119.950 0.134 0.000 2.817 52 F HA 0.791 5.318 4.527 -0.000 0.000 0.317 52 F C -2.070 173.842 175.800 0.187 0.000 1.168 52 F CA -1.334 56.840 58.000 0.290 0.000 0.911 52 F CB 0.976 40.137 39.000 0.269 0.000 1.337 52 F HN 0.459 nan 8.300 nan 0.000 0.464 53 L N 1.427 122.799 121.223 0.247 0.000 2.422 53 L HA 0.502 4.842 4.340 -0.000 0.000 0.264 53 L C -1.389 175.694 176.870 0.356 0.000 0.984 53 L CA -0.864 54.056 54.840 0.132 0.000 0.819 53 L CB 1.268 43.380 42.059 0.089 0.000 1.330 53 L HN 0.799 nan 8.230 nan 0.000 0.410 54 N N 3.346 122.220 118.700 0.291 0.000 2.458 54 N HA 0.326 5.066 4.740 -0.000 0.000 0.270 54 N C -2.316 173.255 175.510 0.102 0.000 1.102 54 N CA -0.992 52.182 53.050 0.207 0.000 0.967 54 N CB 0.896 39.518 38.487 0.225 0.000 1.078 54 N HN 0.431 nan 8.380 nan 0.000 0.471 55 P HA -0.022 nan 4.420 nan 0.000 0.259 55 P C -1.032 176.249 177.300 -0.031 0.000 1.211 55 P CA 0.406 63.501 63.100 -0.008 0.000 0.810 55 P CB 0.289 31.948 31.700 -0.067 0.000 0.815 56 R N 4.638 125.156 120.500 0.029 0.000 2.666 56 R HA 0.380 4.720 4.340 -0.000 0.000 0.275 56 R C 0.133 176.454 176.300 0.036 0.000 1.266 56 R CA -0.312 55.822 56.100 0.058 0.000 1.401 56 R CB 0.204 30.582 30.300 0.130 0.000 1.145 56 R HN 0.512 nan 8.270 nan 0.000 0.581 57 M N 0.784 120.387 119.600 0.005 0.000 2.023 57 M HA 0.459 4.939 4.480 -0.000 0.000 0.325 57 M C 0.751 177.097 176.300 0.075 0.000 0.963 57 M CA -0.570 54.717 55.300 -0.022 0.000 0.928 57 M CB 1.753 34.285 32.600 -0.113 0.000 1.429 57 M HN 0.605 nan 8.290 nan 0.000 0.404 58 G N 2.394 111.252 108.800 0.097 0.000 4.269 58 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.290 58 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.290 58 G C -0.116 174.889 174.900 0.175 0.000 1.570 58 G CA 0.217 45.408 45.100 0.152 0.000 1.072 58 G HN 0.778 nan 8.290 nan 0.000 0.681 59 Q N 4.669 124.605 119.800 0.227 0.000 2.296 59 Q HA 0.552 4.892 4.340 -0.000 0.000 0.263 59 Q C -1.857 174.333 176.000 0.317 0.000 1.026 59 Q CA -1.570 54.393 55.803 0.268 0.000 0.912 59 Q CB 1.129 30.085 28.738 0.364 0.000 1.198 59 Q HN 0.568 nan 8.270 nan 0.000 0.407 60 P HA 0.155 nan 4.420 nan 0.000 0.276 60 P C -2.306 175.054 177.300 0.100 0.000 1.244 60 P CA -1.365 61.855 63.100 0.200 0.000 0.801 60 P CB 1.149 32.917 31.700 0.115 0.000 1.006 61 P HA -0.282 nan 4.420 nan 0.000 0.208 61 P C 1.380 178.491 177.300 -0.316 0.000 1.189 61 P CA 2.528 65.208 63.100 -0.702 0.000 0.931 61 P CB -1.138 30.198 31.700 -0.606 0.000 0.783 62 T N -1.645 112.807 114.554 -0.169 0.000 2.276 62 T HA -0.214 4.136 4.350 -0.000 0.000 0.194 62 T C -1.492 173.169 174.700 -0.065 0.000 1.588 62 T CA 1.715 63.764 62.100 -0.085 0.000 0.984 62 T CB -3.390 65.459 68.868 -0.031 0.000 0.784 62 T HN 0.235 nan 8.240 nan 0.000 0.455 63 P HA 0.328 nan 4.420 nan 0.000 0.273 63 P C 0.210 177.489 177.300 -0.034 0.000 1.319 63 P CA 0.028 63.119 63.100 -0.014 0.000 0.885 63 P CB 0.238 31.951 31.700 0.021 0.000 1.015 64 E N 0.349 120.523 120.200 -0.042 0.000 2.482 64 E HA -0.022 4.328 4.350 -0.000 0.000 0.196 64 E C 0.514 177.105 176.600 -0.015 0.000 1.047 64 E CA 0.247 56.620 56.400 -0.044 0.000 0.869 64 E CB 0.246 29.920 29.700 -0.042 0.000 0.836 64 E HN 0.302 nan 8.360 nan 0.000 0.520 65 S N 0.811 116.506 115.700 -0.009 0.000 2.499 65 S HA 0.147 4.617 4.470 -0.000 0.000 0.275 65 S C 0.794 175.385 174.600 -0.015 0.000 1.257 65 S CA -0.540 57.657 58.200 -0.005 0.000 1.050 65 S CB 0.397 63.597 63.200 -0.001 0.000 0.937 65 S HN 0.189 nan 8.310 nan 0.000 0.490 66 L N 4.586 125.798 121.223 -0.017 0.000 2.713 66 L HA 0.164 4.504 4.340 -0.000 0.000 0.245 66 L C 1.742 178.574 176.870 -0.064 0.000 1.169 66 L CA 0.130 54.942 54.840 -0.046 0.000 0.962 66 L CB -1.530 40.517 42.059 -0.020 0.000 1.161 66 L HN 0.803 nan 8.230 nan 0.000 0.427 67 T N -4.969 109.561 114.554 -0.039 0.000 3.232 67 T HA 0.083 4.433 4.350 -0.000 0.000 0.259 67 T C 1.447 176.143 174.700 -0.007 0.000 0.987 67 T CA -0.023 62.063 62.100 -0.023 0.000 1.096 67 T CB 0.111 68.977 68.868 -0.004 0.000 1.131 67 T HN 0.228 nan 8.240 nan 0.000 0.445 68 E N 1.365 121.567 120.200 0.004 0.000 2.076 68 E HA 0.182 4.532 4.350 -0.000 0.000 0.190 68 E C 2.099 178.726 176.600 0.045 0.000 0.979 68 E CA 0.858 57.274 56.400 0.027 0.000 0.807 68 E CB -0.221 29.493 29.700 0.022 0.000 0.761 68 E HN 0.627 nan 8.360 nan 0.000 0.454 69 G N 0.072 108.884 108.800 0.021 0.000 3.088 69 G HA2 0.173 4.133 3.960 -0.000 0.000 0.217 69 G HA3 0.173 4.133 3.960 -0.000 0.000 0.217 69 G C 1.066 175.921 174.900 -0.074 0.000 1.159 69 G CA 0.056 45.185 45.100 0.049 0.000 0.760 69 G HN 0.330 nan 8.290 nan 0.000 0.550 70 G N 0.529 109.235 108.800 -0.156 0.000 2.468 70 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.311 70 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.311 70 G C 0.529 175.011 174.900 -0.696 0.000 0.942 70 G CA 0.621 45.488 45.100 -0.388 0.000 0.893 70 G HN 0.497 nan 8.290 nan 0.000 0.513 71 Q N -2.281 117.328 119.800 -0.320 0.000 2.324 71 Q HA -0.213 4.127 4.340 -0.000 0.000 0.328 71 Q C 0.419 176.348 176.000 -0.119 0.000 1.193 71 Q CA 0.981 56.701 55.803 -0.139 0.000 1.059 71 Q CB -1.189 27.573 28.738 0.041 0.000 1.179 71 Q HN 0.782 nan 8.270 nan 0.000 0.294 72 Y N -0.338 120.120 120.300 0.263 0.000 2.507 72 Y HA 0.094 4.644 4.550 -0.000 0.000 0.254 72 Y C 0.288 176.503 175.900 0.526 0.000 1.171 72 Y CA -0.952 57.354 58.100 0.344 0.000 1.238 72 Y CB 0.188 38.727 38.460 0.131 0.000 1.148 72 Y HN 0.451 nan 8.280 nan 0.000 0.525 73 Y N 2.297 122.812 120.300 0.359 0.000 2.852 73 Y HA 0.264 4.814 4.550 -0.000 0.000 0.343 73 Y C 1.112 177.139 175.900 0.212 0.000 1.280 73 Y CA 0.860 59.107 58.100 0.245 0.000 1.604 73 Y CB -0.219 38.330 38.460 0.149 0.000 1.216 73 Y HN 0.431 nan 8.280 nan 0.000 0.541 74 G N 4.841 113.599 108.800 -0.068 0.000 2.370 74 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.268 74 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.268 74 G C -0.836 173.950 174.900 -0.189 0.000 1.122 74 G CA -0.138 44.776 45.100 -0.309 0.000 0.963 74 G HN 0.621 nan 8.290 nan 0.000 0.500 75 W N -0.824 120.539 121.300 0.106 0.000 3.298 75 W HA 0.459 5.119 4.660 0.000 0.000 0.302 75 W C 0.195 176.809 176.519 0.159 0.000 1.255 75 W CA -0.593 56.852 57.345 0.167 0.000 1.196 75 W CB 1.042 30.614 29.460 0.186 0.000 1.364 75 W HN 0.449 nan 8.180 nan 0.000 0.566 76 S N 2.442 118.474 115.700 0.554 0.000 2.531 76 S HA 0.159 4.629 4.470 -0.000 0.000 0.279 76 S C 0.863 175.550 174.600 0.145 0.000 1.305 76 S CA -0.438 58.037 58.200 0.458 0.000 1.058 76 S CB 2.122 65.842 63.200 0.866 0.000 0.899 76 S HN 0.458 nan 8.310 nan 0.000 0.493 77 R N 3.123 123.655 120.500 0.053 0.000 2.340 77 R HA 0.047 4.387 4.340 -0.000 0.000 0.199 77 R C 1.187 177.232 176.300 -0.425 0.000 0.998 77 R CA 1.887 57.850 56.100 -0.228 0.000 0.874 77 R CB -1.126 29.137 30.300 -0.061 0.000 0.721 77 R HN 0.802 nan 8.270 nan 0.000 0.473 78 G N -1.206 107.512 108.800 -0.135 0.000 2.642 78 G HA2 0.487 4.447 3.960 -0.000 0.000 0.291 78 G HA3 0.487 4.447 3.960 -0.000 0.000 0.291 78 G C -0.972 174.004 174.900 0.126 0.000 1.345 78 G CA -0.495 44.616 45.100 0.019 0.000 1.043 78 G HN 0.309 nan 8.290 nan 0.000 0.528 79 I N 1.928 122.552 120.570 0.090 0.000 2.623 79 I HA 0.209 4.379 4.170 -0.000 0.000 0.275 79 I C -0.324 175.774 176.117 -0.032 0.000 1.108 79 I CA -1.075 60.233 61.300 0.012 0.000 1.120 79 I CB 0.438 38.374 38.000 -0.107 0.000 1.249 79 I HN 0.466 nan 8.210 nan 0.000 0.500 80 N N 6.522 125.225 118.700 0.004 0.000 2.483 80 N HA 0.048 4.788 4.740 -0.000 0.000 0.264 80 N C -1.163 174.319 175.510 -0.047 0.000 1.197 80 N CA 0.071 53.111 53.050 -0.017 0.000 0.927 80 N CB 1.265 39.758 38.487 0.010 0.000 1.065 80 N HN 0.504 nan 8.380 nan 0.000 0.461 81 L N 3.142 124.323 121.223 -0.071 0.000 2.307 81 L HA 0.551 4.891 4.340 -0.000 0.000 0.284 81 L C 0.500 177.327 176.870 -0.073 0.000 1.023 81 L CA -0.431 54.355 54.840 -0.089 0.000 0.810 81 L CB 1.343 43.334 42.059 -0.113 0.000 1.231 81 L HN 0.708 nan 8.230 nan 0.000 0.423 82 A N 3.413 126.192 122.820 -0.069 0.000 2.364 82 A HA 0.284 4.604 4.320 -0.000 0.000 0.258 82 A C 1.034 178.579 177.584 -0.065 0.000 1.131 82 A CA 0.650 52.648 52.037 -0.065 0.000 0.800 82 A CB -0.033 18.926 19.000 -0.069 0.000 1.086 82 A HN 0.864 nan 8.150 nan 0.000 0.508 83 T N -0.444 114.074 114.554 -0.059 0.000 2.739 83 T HA 0.284 4.634 4.350 -0.000 0.000 0.249 83 T C 0.627 175.295 174.700 -0.053 0.000 1.050 83 T CA 1.499 63.566 62.100 -0.055 0.000 1.165 83 T CB -0.127 68.712 68.868 -0.048 0.000 0.872 83 T HN 0.989 nan 8.240 nan 0.000 0.411 84 S N -0.674 114.997 115.700 -0.049 0.000 2.583 84 S HA 0.296 4.766 4.470 -0.000 0.000 0.294 84 S C -0.313 174.261 174.600 -0.043 0.000 1.121 84 S CA 0.121 58.294 58.200 -0.045 0.000 0.910 84 S CB 1.182 64.358 63.200 -0.039 0.000 1.102 84 S HN 0.452 nan 8.310 nan 0.000 0.451 85 D N 2.588 122.964 120.400 -0.041 0.000 4.542 85 D HA -0.294 4.346 4.640 -0.000 0.000 0.406 85 D C 1.319 177.594 176.300 -0.041 0.000 1.577 85 D CA 3.191 57.168 54.000 -0.039 0.000 1.224 85 D CB -0.731 40.050 40.800 -0.031 0.000 0.445 85 D HN 0.620 nan 8.370 nan 0.000 0.966 86 T N -1.001 113.530 114.554 -0.038 0.000 3.023 86 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 86 T C 0.335 175.006 174.700 -0.047 0.000 1.093 86 T CA 1.135 63.211 62.100 -0.039 0.000 1.129 86 T CB -0.090 68.759 68.868 -0.032 0.000 0.899 86 T HN 0.310 nan 8.240 nan 0.000 0.491 87 E N 1.356 121.526 120.200 -0.050 0.000 2.141 87 E HA 0.281 4.631 4.350 -0.000 0.000 0.259 87 E C -1.722 174.836 176.600 -0.069 0.000 0.883 87 E CA -0.485 55.881 56.400 -0.057 0.000 0.744 87 E CB 0.743 30.415 29.700 -0.048 0.000 1.150 87 E HN 0.090 nan 8.360 nan 0.000 0.420 88 D N 3.196 123.542 120.400 -0.090 0.000 2.346 88 D HA 0.108 4.748 4.640 -0.000 0.000 0.255 88 D C -1.614 174.601 176.300 -0.141 0.000 1.276 88 D CA -0.290 53.643 54.000 -0.111 0.000 0.941 88 D CB 1.290 42.013 40.800 -0.128 0.000 1.199 88 D HN 0.180 nan 8.370 nan 0.000 0.537 89 S N 4.261 119.901 115.700 -0.099 0.000 2.474 89 S HA 0.444 4.914 4.470 -0.000 0.000 0.320 89 S C -1.814 172.756 174.600 -0.050 0.000 1.067 89 S CA -1.455 56.694 58.200 -0.085 0.000 1.127 89 S CB 1.247 64.418 63.200 -0.048 0.000 0.971 89 S HN 0.221 nan 8.310 nan 0.000 0.472 90 P HA 0.190 nan 4.420 nan 0.000 0.210 90 P C 0.488 177.832 177.300 0.073 0.000 1.191 90 P CA 1.239 64.364 63.100 0.042 0.000 0.917 90 P CB -0.103 31.674 31.700 0.129 0.000 0.778 91 G N -1.471 107.387 108.800 0.097 0.000 3.233 91 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.686 91 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.686 91 G C 0.240 175.214 174.900 0.123 0.000 1.153 91 G CA -0.374 44.779 45.100 0.089 0.000 0.853 91 G HN -0.069 nan 8.290 nan 0.000 0.582 92 N N 1.448 120.215 118.700 0.112 0.000 2.011 92 N HA -0.162 4.578 4.740 -0.000 0.000 0.199 92 N C 2.238 177.820 175.510 0.121 0.000 1.047 92 N CA 1.828 54.947 53.050 0.115 0.000 0.863 92 N CB -0.376 38.165 38.487 0.090 0.000 1.056 92 N HN 0.891 nan 8.380 nan 0.000 0.427 93 N N 0.063 118.831 118.700 0.113 0.000 2.666 93 N HA -0.059 4.681 4.740 -0.000 0.000 0.194 93 N C 0.177 175.789 175.510 0.169 0.000 1.220 93 N CA 0.700 53.826 53.050 0.127 0.000 0.928 93 N CB -0.359 38.192 38.487 0.107 0.000 0.997 93 N HN 0.158 nan 8.380 nan 0.000 0.447 94 T N 0.606 115.276 114.554 0.193 0.000 3.107 94 T HA 0.239 4.589 4.350 -0.000 0.000 0.249 94 T C 0.468 175.399 174.700 0.386 0.000 1.096 94 T CA 0.033 62.310 62.100 0.296 0.000 1.012 94 T CB 0.196 69.205 68.868 0.235 0.000 0.977 94 T HN 0.170 nan 8.240 nan 0.000 0.527 95 L N 3.417 124.770 121.223 0.217 0.000 2.316 95 L HA 0.377 4.717 4.340 -0.000 0.000 0.280 95 L C -2.446 174.389 176.870 -0.057 0.000 1.006 95 L CA -2.405 52.490 54.840 0.093 0.000 0.836 95 L CB 1.791 43.913 42.059 0.104 0.000 1.221 95 L HN -0.206 nan 8.230 nan 0.000 0.418 96 P HA 0.151 nan 4.420 nan 0.000 0.276 96 P C -0.717 176.442 177.300 -0.235 0.000 1.264 96 P CA -0.219 62.672 63.100 -0.349 0.000 0.769 96 P CB 0.826 32.085 31.700 -0.734 0.000 0.840 97 T N 0.323 114.813 114.554 -0.108 0.000 2.940 97 T HA 0.381 4.731 4.350 -0.000 0.000 0.288 97 T C -0.371 174.342 174.700 0.021 0.000 1.033 97 T CA -0.813 61.296 62.100 0.015 0.000 1.033 97 T CB 0.782 69.712 68.868 0.103 0.000 1.079 97 T HN 0.185 nan 8.240 nan 0.000 0.496 98 W N 1.757 123.109 121.300 0.087 0.000 2.223 98 W HA 0.379 5.039 4.660 -0.000 0.000 0.334 98 W C 0.260 176.830 176.519 0.085 0.000 1.334 98 W CA 0.185 57.580 57.345 0.084 0.000 1.246 98 W CB 0.497 29.993 29.460 0.060 0.000 1.184 98 W HN 0.611 nan 8.180 nan 0.000 0.563 99 S N 4.679 120.593 115.700 0.356 0.000 2.478 99 S HA 0.767 5.237 4.470 -0.000 0.000 0.312 99 S C -0.397 174.365 174.600 0.269 0.000 1.094 99 S CA -0.949 57.402 58.200 0.252 0.000 1.081 99 S CB 1.288 64.589 63.200 0.169 0.000 1.007 99 S HN 0.416 nan 8.310 nan 0.000 0.475 100 M N 1.259 120.957 119.600 0.164 0.000 3.331 100 M HA 1.006 5.486 4.480 -0.000 0.000 0.281 100 M C -1.437 174.869 176.300 0.009 0.000 1.338 100 M CA -0.804 54.545 55.300 0.083 0.000 0.827 100 M CB 0.698 33.340 32.600 0.070 0.000 1.674 100 M HN 0.866 nan 8.290 nan 0.000 0.477 101 A N -0.069 122.724 122.820 -0.045 0.000 2.490 101 A HA 0.753 5.073 4.320 -0.000 0.000 0.292 101 A C -2.040 175.449 177.584 -0.158 0.000 1.047 101 A CA -0.750 51.232 52.037 -0.093 0.000 0.632 101 A CB 0.999 19.918 19.000 -0.135 0.000 1.323 101 A HN 1.078 nan 8.150 nan 0.000 0.448 102 K N 1.267 121.530 120.400 -0.229 0.000 2.463 102 K HA 0.571 4.891 4.320 -0.000 0.000 0.255 102 K C -1.339 175.062 176.600 -0.333 0.000 0.942 102 K CA -0.697 55.349 56.287 -0.402 0.000 0.814 102 K CB 0.944 33.055 32.500 -0.649 0.000 1.122 102 K HN 0.555 nan 8.250 nan 0.000 0.425 103 L N 3.820 124.844 121.223 -0.332 0.000 2.319 103 L HA 0.206 4.546 4.340 -0.000 0.000 0.280 103 L C 0.016 176.726 176.870 -0.267 0.000 1.099 103 L CA 0.072 54.751 54.840 -0.268 0.000 0.828 103 L CB 0.913 42.815 42.059 -0.262 0.000 1.150 103 L HN 0.731 nan 8.230 nan 0.000 0.442 104 Q N 3.381 123.059 119.800 -0.203 0.000 2.398 104 Q HA 0.411 4.751 4.340 -0.000 0.000 0.251 104 Q C -0.976 174.958 176.000 -0.110 0.000 0.999 104 Q CA -0.324 55.386 55.803 -0.154 0.000 0.874 104 Q CB 0.901 29.569 28.738 -0.117 0.000 1.215 104 Q HN 0.398 nan 8.270 nan 0.000 0.470 105 L N 6.266 127.434 121.223 -0.090 0.000 2.456 105 L HA 0.574 4.914 4.340 -0.000 0.000 0.257 105 L C -1.872 175.103 176.870 0.173 0.000 1.162 105 L CA -1.537 53.277 54.840 -0.043 0.000 0.808 105 L CB 0.343 42.235 42.059 -0.277 0.000 1.136 105 L HN 0.633 nan 8.230 nan 0.000 0.466 106 P HA 0.134 nan 4.420 nan 0.000 0.276 106 P C -0.821 176.621 177.300 0.237 0.000 1.244 106 P CA -0.728 62.512 63.100 0.234 0.000 0.801 106 P CB 0.783 32.613 31.700 0.216 0.000 1.006 107 M N 2.144 121.799 119.600 0.091 0.000 2.219 107 M HA 0.088 4.568 4.480 -0.000 0.000 0.353 107 M C -0.235 176.012 176.300 -0.089 0.000 1.304 107 M CA 0.516 55.822 55.300 0.010 0.000 1.115 107 M CB -0.039 32.571 32.600 0.017 0.000 1.664 107 M HN 0.141 nan 8.290 nan 0.000 0.459 108 L N 3.375 124.467 121.223 -0.219 0.000 2.357 108 L HA 0.397 4.737 4.340 -0.000 0.000 0.211 108 L C 0.242 176.989 176.870 -0.204 0.000 1.075 108 L CA 0.729 55.375 54.840 -0.323 0.000 0.830 108 L CB -0.453 41.227 42.059 -0.633 0.000 0.996 108 L HN 0.765 nan 8.230 nan 0.000 0.467 109 N N -1.374 117.247 118.700 -0.132 0.000 2.262 109 N HA 0.317 5.057 4.740 -0.000 0.000 0.295 109 N C -0.281 175.237 175.510 0.014 0.000 1.161 109 N CA -0.349 52.670 53.050 -0.051 0.000 0.767 109 N CB 1.580 40.043 38.487 -0.039 0.000 1.499 109 N HN -0.023 nan 8.380 nan 0.000 0.476 110 E N -0.831 119.389 120.200 0.035 0.000 2.583 110 E HA 0.104 4.454 4.350 -0.000 0.000 0.213 110 E C -0.625 176.008 176.600 0.055 0.000 0.989 110 E CA -0.031 56.396 56.400 0.044 0.000 0.991 110 E CB 0.599 30.317 29.700 0.029 0.000 1.040 110 E HN 0.385 nan 8.360 nan 0.000 0.481 111 D N 1.728 122.171 120.400 0.072 0.000 2.504 111 D HA -0.025 4.615 4.640 -0.000 0.000 0.243 111 D C 0.119 176.453 176.300 0.057 0.000 1.203 111 D CA 0.072 54.111 54.000 0.064 0.000 0.847 111 D CB 0.117 40.967 40.800 0.083 0.000 0.973 111 D HN 0.133 nan 8.370 nan 0.000 0.490 112 L N -0.033 121.229 121.223 0.066 0.000 2.672 112 L HA 0.298 4.638 4.340 -0.000 0.000 0.238 112 L C 0.637 177.537 176.870 0.049 0.000 1.392 112 L CA 0.171 55.054 54.840 0.072 0.000 1.238 112 L CB -1.421 40.706 42.059 0.113 0.000 1.548 112 L HN 0.021 nan 8.230 nan 0.000 0.423 113 T N -4.257 110.317 114.554 0.033 0.000 3.211 113 T HA 0.086 4.436 4.350 -0.000 0.000 0.261 113 T C 0.579 175.285 174.700 0.009 0.000 0.880 113 T CA 0.052 62.163 62.100 0.020 0.000 0.903 113 T CB 0.280 69.158 68.868 0.016 0.000 1.264 113 T HN 0.398 nan 8.240 nan 0.000 0.532 114 C N 2.358 121.662 119.300 0.006 0.000 2.668 114 C HA 0.682 5.142 4.460 -0.000 0.000 0.355 114 C C 1.183 176.170 174.990 -0.006 0.000 1.277 114 C CA 0.040 59.051 59.018 -0.013 0.000 1.787 114 C CB 1.727 29.446 27.740 -0.036 0.000 2.233 114 C HN 0.595 nan 8.230 nan 0.000 0.495 115 D N 0.949 121.336 120.400 -0.023 0.000 2.106 115 D HA -0.037 4.603 4.640 -0.000 0.000 0.203 115 D C 0.702 176.997 176.300 -0.007 0.000 0.977 115 D CA 0.885 54.876 54.000 -0.015 0.000 0.844 115 D CB -1.400 39.384 40.800 -0.026 0.000 1.002 115 D HN 0.543 nan 8.370 nan 0.000 0.461 116 T N 1.450 115.980 114.554 -0.040 0.000 2.903 116 T HA 0.179 4.529 4.350 -0.000 0.000 0.299 116 T C -0.102 174.687 174.700 0.148 0.000 1.041 116 T CA 0.292 62.377 62.100 -0.024 0.000 1.138 116 T CB 0.176 68.886 68.868 -0.263 0.000 1.040 116 T HN 0.108 nan 8.240 nan 0.000 0.524 117 L N 3.790 125.219 121.223 0.344 0.000 2.466 117 L HA 0.432 4.772 4.340 -0.000 0.000 0.258 117 L C -0.719 176.333 176.870 0.303 0.000 0.973 117 L CA -0.732 54.326 54.840 0.364 0.000 0.826 117 L CB 2.289 44.393 42.059 0.076 0.000 1.372 117 L HN 0.826 nan 8.230 nan 0.000 0.409 118 Q N 3.692 123.370 119.800 -0.204 0.000 2.309 118 Q HA 0.781 5.121 4.340 -0.000 0.000 0.264 118 Q C -1.137 174.572 176.000 -0.486 0.000 1.008 118 Q CA -0.803 54.562 55.803 -0.730 0.000 0.853 118 Q CB 2.639 30.325 28.738 -1.754 0.000 1.314 118 Q HN 0.690 nan 8.270 nan 0.000 0.448 119 M N -0.379 118.976 119.600 -0.409 0.000 2.667 119 M HA 0.558 5.038 4.480 -0.000 0.000 0.286 119 M C -1.575 174.581 176.300 -0.240 0.000 1.270 119 M CA -1.014 54.091 55.300 -0.325 0.000 0.826 119 M CB 1.681 34.195 32.600 -0.143 0.000 1.743 119 M HN 0.624 nan 8.290 nan 0.000 0.460 120 W N 1.353 122.598 121.300 -0.092 0.000 2.308 120 W HA 0.270 4.930 4.660 0.000 0.000 0.324 120 W C 0.260 176.748 176.519 -0.052 0.000 1.387 120 W CA 0.205 57.507 57.345 -0.073 0.000 1.250 120 W CB 0.428 29.856 29.460 -0.054 0.000 1.257 120 W HN 0.511 nan 8.180 nan 0.000 0.554 121 E N 3.050 123.441 120.200 0.319 0.000 2.283 121 E HA 0.425 4.775 4.350 -0.000 0.000 0.258 121 E C -0.909 175.766 176.600 0.125 0.000 0.893 121 E CA -0.590 55.905 56.400 0.159 0.000 0.798 121 E CB 1.355 31.110 29.700 0.092 0.000 1.242 121 E HN 0.481 nan 8.360 nan 0.000 0.414 122 A N 3.152 126.023 122.820 0.086 0.000 2.407 122 A HA 0.395 4.715 4.320 -0.000 0.000 0.248 122 A C 0.541 178.164 177.584 0.065 0.000 1.082 122 A CA -0.221 51.852 52.037 0.059 0.000 0.785 122 A CB 0.970 20.002 19.000 0.052 0.000 1.020 122 A HN 0.476 nan 8.150 nan 0.000 0.489 123 V N 0.991 120.941 119.914 0.061 0.000 3.134 123 V HA 0.163 4.283 4.120 -0.000 0.000 0.222 123 V C 0.921 177.058 176.094 0.072 0.000 1.247 123 V CA 1.322 63.660 62.300 0.063 0.000 1.281 123 V CB 0.062 31.917 31.823 0.054 0.000 1.169 123 V HN 1.048 nan 8.190 nan 0.000 0.512 124 S N -0.865 114.875 115.700 0.068 0.000 2.667 124 S HA 0.861 5.331 4.470 -0.000 0.000 0.292 124 S C -1.144 173.505 174.600 0.081 0.000 1.126 124 S CA -0.581 57.663 58.200 0.074 0.000 0.881 124 S CB 2.471 65.702 63.200 0.052 0.000 1.132 124 S HN 0.392 nan 8.310 nan 0.000 0.492 125 V N 0.051 120.018 119.914 0.088 0.000 3.098 125 V HA 0.588 4.708 4.120 -0.000 0.000 0.294 125 V C -1.971 174.153 176.094 0.051 0.000 1.351 125 V CA -0.623 61.733 62.300 0.094 0.000 0.999 125 V CB 2.260 34.197 31.823 0.191 0.000 1.104 125 V HN 1.012 nan 8.190 nan 0.000 0.438 126 K N 2.412 122.828 120.400 0.027 0.000 2.244 126 K HA 0.740 5.060 4.320 -0.000 0.000 0.260 126 K C -0.892 175.677 176.600 -0.051 0.000 0.951 126 K CA -0.363 55.927 56.287 0.004 0.000 0.826 126 K CB 2.000 34.547 32.500 0.078 0.000 1.108 126 K HN 0.796 nan 8.250 nan 0.000 0.433 127 T N 1.536 115.964 114.554 -0.210 0.000 2.916 127 T HA 0.432 4.782 4.350 -0.000 0.000 0.292 127 T C -1.746 172.782 174.700 -0.286 0.000 1.064 127 T CA -0.535 61.316 62.100 -0.415 0.000 1.011 127 T CB 1.367 69.614 68.868 -1.034 0.000 1.152 127 T HN 0.670 nan 8.240 nan 0.000 0.510 128 E N 1.211 121.254 120.200 -0.262 0.000 2.400 128 E HA 0.484 4.834 4.350 -0.000 0.000 0.285 128 E C -1.837 174.631 176.600 -0.221 0.000 1.005 128 E CA -0.610 55.649 56.400 -0.235 0.000 0.816 128 E CB 1.901 31.491 29.700 -0.183 0.000 1.220 128 E HN 0.429 nan 8.360 nan 0.000 0.426 129 V N 2.983 122.735 119.914 -0.270 0.000 2.612 129 V HA 0.609 4.729 4.120 -0.000 0.000 0.301 129 V C -0.022 175.925 176.094 -0.245 0.000 1.046 129 V CA -0.525 61.624 62.300 -0.253 0.000 0.946 129 V CB 1.446 33.056 31.823 -0.356 0.000 1.003 129 V HN 0.494 nan 8.190 nan 0.000 0.459 130 V N 0.452 120.286 119.914 -0.133 0.000 3.078 130 V HA 1.033 5.153 4.120 -0.000 0.000 0.311 130 V C 0.563 176.671 176.094 0.023 0.000 1.138 130 V CA -0.066 62.260 62.300 0.044 0.000 1.007 130 V CB 1.315 33.226 31.823 0.147 0.000 1.045 130 V HN 1.474 nan 8.190 nan 0.000 0.432 131 G N 1.265 110.239 108.800 0.291 0.000 2.163 131 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.213 131 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.213 131 G C 0.718 175.659 174.900 0.069 0.000 0.991 131 G CA 0.470 45.666 45.100 0.160 0.000 0.653 131 G HN 1.347 nan 8.290 nan 0.000 0.518 132 S N 0.133 115.765 115.700 -0.113 0.000 2.440 132 S HA 0.023 4.493 4.470 -0.000 0.000 0.238 132 S C 2.437 177.078 174.600 0.067 0.000 1.010 132 S CA 1.783 59.813 58.200 -0.283 0.000 0.972 132 S CB -0.291 62.313 63.200 -0.993 0.000 0.774 132 S HN 1.290 nan 8.310 nan 0.000 0.501 133 G N 2.120 111.131 108.800 0.351 0.000 2.394 133 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 133 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 133 G C 1.544 176.506 174.900 0.104 0.000 1.165 133 G CA 0.947 46.187 45.100 0.233 0.000 0.784 133 G HN 0.686 nan 8.290 nan 0.000 0.535 134 S N 0.583 116.330 115.700 0.079 0.000 2.488 134 S HA -0.025 4.445 4.470 -0.000 0.000 0.246 134 S C 1.908 176.535 174.600 0.046 0.000 0.992 134 S CA 0.630 58.858 58.200 0.046 0.000 0.963 134 S CB -0.237 62.974 63.200 0.017 0.000 0.754 134 S HN 0.068 nan 8.310 nan 0.000 0.519 135 L N 0.649 121.897 121.223 0.042 0.000 2.610 135 L HA 0.290 4.630 4.340 -0.000 0.000 0.232 135 L C 1.541 178.433 176.870 0.037 0.000 1.149 135 L CA 0.783 55.648 54.840 0.041 0.000 0.872 135 L CB -1.261 40.811 42.059 0.022 0.000 0.992 135 L HN 0.490 nan 8.230 nan 0.000 0.447 136 L N -1.370 119.874 121.223 0.035 0.000 2.640 136 L HA 0.155 4.495 4.340 -0.000 0.000 0.230 136 L C 0.736 177.609 176.870 0.004 0.000 1.123 136 L CA -0.214 54.643 54.840 0.029 0.000 0.900 136 L CB 0.081 42.165 42.059 0.042 0.000 1.146 136 L HN 0.086 nan 8.230 nan 0.000 0.484 137 D N 1.452 121.831 120.400 -0.036 0.000 2.383 137 D HA 0.102 4.742 4.640 -0.000 0.000 0.252 137 D C 0.663 176.838 176.300 -0.209 0.000 1.166 137 D CA 0.223 54.104 54.000 -0.198 0.000 0.879 137 D CB 2.026 42.682 40.800 -0.240 0.000 1.164 137 D HN 0.025 nan 8.370 nan 0.000 0.462 138 V N 1.832 121.595 119.914 -0.251 0.000 3.337 138 V HA 0.184 4.304 4.120 -0.000 0.000 0.307 138 V C 0.742 176.782 176.094 -0.091 0.000 1.505 138 V CA -0.411 61.825 62.300 -0.107 0.000 1.072 138 V CB -0.570 31.252 31.823 -0.003 0.000 0.929 138 V HN 0.584 nan 8.190 nan 0.000 0.455 139 H N 1.080 120.112 119.070 -0.063 0.000 3.039 139 H HA 0.798 5.354 4.556 -0.000 0.000 0.234 139 H C 0.809 176.040 175.328 -0.161 0.000 1.570 139 H CA -0.184 55.784 56.048 -0.133 0.000 1.674 139 H CB 0.077 29.775 29.762 -0.107 0.000 1.538 139 H HN 0.694 nan 8.280 nan 0.000 0.963 140 G N -0.572 108.169 108.800 -0.098 0.000 2.829 140 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.628 140 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.628 140 G C -1.282 173.431 174.900 -0.312 0.000 1.412 140 G CA -0.334 44.678 45.100 -0.147 0.000 0.864 140 G HN 0.463 nan 8.290 nan 0.000 0.544 141 F N 2.300 122.254 119.950 0.006 0.000 2.303 141 F HA 0.518 5.045 4.527 -0.000 0.000 0.368 141 F C 0.642 176.423 175.800 -0.032 0.000 1.105 141 F CA -1.129 56.865 58.000 -0.009 0.000 1.153 141 F CB 0.711 39.706 39.000 -0.009 0.000 1.362 141 F HN 0.490 nan 8.300 nan 0.000 0.511 142 N N 1.802 120.687 118.700 0.309 0.000 2.312 142 N HA 0.302 5.042 4.740 -0.000 0.000 0.296 142 N C -1.040 174.597 175.510 0.211 0.000 1.193 142 N CA -1.192 51.954 53.050 0.160 0.000 0.773 142 N CB 1.400 39.920 38.487 0.055 0.000 1.435 142 N HN 0.274 nan 8.380 nan 0.000 0.484 143 K N 0.777 121.218 120.400 0.068 0.000 2.569 143 K HA 0.042 4.362 4.320 -0.000 0.000 0.280 143 K C -2.486 174.164 176.600 0.084 0.000 0.984 143 K CA -0.245 56.061 56.287 0.032 0.000 1.064 143 K CB 0.260 32.733 32.500 -0.046 0.000 0.866 143 K HN 0.293 nan 8.250 nan 0.000 0.492 144 P HA 0.250 nan 4.420 nan 0.000 0.289 144 P C -0.096 177.237 177.300 0.055 0.000 1.302 144 P CA -0.765 62.395 63.100 0.100 0.000 0.923 144 P CB 1.534 33.336 31.700 0.170 0.000 1.238 145 T N -1.250 113.330 114.554 0.044 0.000 2.594 145 T HA -0.246 4.104 4.350 -0.000 0.000 0.266 145 T C 0.551 175.267 174.700 0.028 0.000 1.070 145 T CA 2.071 64.190 62.100 0.032 0.000 1.166 145 T CB -1.008 67.877 68.868 0.029 0.000 0.862 145 T HN 0.596 nan 8.240 nan 0.000 0.436 146 D N 0.972 121.392 120.400 0.032 0.000 2.349 146 D HA 0.325 4.965 4.640 -0.000 0.000 0.232 146 D C 1.166 177.482 176.300 0.028 0.000 1.071 146 D CA -0.067 53.948 54.000 0.026 0.000 0.832 146 D CB 1.357 42.172 40.800 0.025 0.000 1.086 146 D HN 0.204 nan 8.370 nan 0.000 0.504 147 T N 0.417 114.979 114.554 0.012 0.000 2.852 147 T HA -0.092 4.258 4.350 -0.000 0.000 0.256 147 T C 1.979 176.674 174.700 -0.008 0.000 1.038 147 T CA 0.889 62.988 62.100 -0.002 0.000 1.141 147 T CB -0.569 68.289 68.868 -0.016 0.000 0.869 147 T HN 0.226 nan 8.240 nan 0.000 0.439 148 V N 3.745 123.655 119.914 -0.006 0.000 2.232 148 V HA -0.305 3.815 4.120 -0.000 0.000 0.254 148 V C 2.104 178.195 176.094 -0.006 0.000 1.058 148 V CA 2.384 64.679 62.300 -0.008 0.000 1.048 148 V CB -0.814 31.008 31.823 -0.002 0.000 0.668 148 V HN 0.642 nan 8.190 nan 0.000 0.462 149 N N -1.068 117.634 118.700 0.005 0.000 2.314 149 N HA 0.044 4.784 4.740 -0.000 0.000 0.200 149 N C 0.276 175.800 175.510 0.023 0.000 1.135 149 N CA 0.704 53.760 53.050 0.009 0.000 0.835 149 N CB 0.557 39.052 38.487 0.013 0.000 0.989 149 N HN 0.611 nan 8.380 nan 0.000 0.478 150 T N 0.742 115.310 114.554 0.025 0.000 3.580 150 T HA -0.173 4.177 4.350 -0.000 0.000 0.402 150 T C 0.013 174.776 174.700 0.106 0.000 0.765 150 T CA 1.183 63.317 62.100 0.057 0.000 2.064 150 T CB -0.852 68.031 68.868 0.024 0.000 1.724 150 T HN 0.325 nan 8.240 nan 0.000 0.719 151 K N -0.753 119.695 120.400 0.079 0.000 2.399 151 K HA 0.879 5.199 4.320 -0.000 0.000 0.260 151 K C 0.930 177.563 176.600 0.054 0.000 1.049 151 K CA 0.457 56.785 56.287 0.069 0.000 0.890 151 K CB 1.552 34.078 32.500 0.044 0.000 1.430 151 K HN 0.510 nan 8.250 nan 0.000 0.459 152 G N 0.027 108.848 108.800 0.035 0.000 3.110 152 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.238 152 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.238 152 G C -1.173 173.736 174.900 0.016 0.000 1.647 152 G CA -0.110 45.005 45.100 0.025 0.000 1.146 152 G HN 0.405 nan 8.290 nan 0.000 0.545 153 I N 0.575 121.155 120.570 0.017 0.000 2.894 153 I HA 0.579 4.749 4.170 -0.000 0.000 0.302 153 I C 0.144 176.259 176.117 -0.002 0.000 1.188 153 I CA -0.796 60.506 61.300 0.003 0.000 1.014 153 I CB 1.657 39.665 38.000 0.013 0.000 1.242 153 I HN 0.466 nan 8.210 nan 0.000 0.430 154 S N 2.811 118.487 115.700 -0.041 0.000 2.498 154 S HA 0.151 4.621 4.470 -0.000 0.000 0.314 154 S C 0.182 174.781 174.600 -0.001 0.000 1.141 154 S CA -0.093 58.084 58.200 -0.039 0.000 1.087 154 S CB -0.498 62.634 63.200 -0.114 0.000 1.178 154 S HN 0.600 nan 8.310 nan 0.000 0.533 155 T N 8.382 122.951 114.554 0.026 0.000 2.765 155 T HA 0.033 4.383 4.350 -0.000 0.000 0.275 155 T C -1.737 172.988 174.700 0.042 0.000 1.007 155 T CA -0.372 61.748 62.100 0.033 0.000 1.175 155 T CB 0.088 68.976 68.868 0.034 0.000 0.993 155 T HN 0.540 nan 8.240 nan 0.000 0.510 156 P HA 0.163 nan 4.420 nan 0.000 0.282 156 P C -0.360 177.000 177.300 0.100 0.000 1.286 156 P CA -0.507 62.633 63.100 0.067 0.000 0.777 156 P CB 0.457 32.187 31.700 0.051 0.000 1.184 157 V N -0.080 119.902 119.914 0.113 0.000 2.637 157 V HA 0.191 4.311 4.120 -0.000 0.000 0.296 157 V C 0.792 176.937 176.094 0.084 0.000 1.046 157 V CA 0.557 62.936 62.300 0.130 0.000 1.066 157 V CB -0.364 31.532 31.823 0.122 0.000 0.968 157 V HN 0.556 nan 8.190 nan 0.000 0.483 158 E N 1.484 121.740 120.200 0.093 0.000 2.442 158 E HA 0.708 5.058 4.350 -0.000 0.000 0.271 158 E C -0.059 176.527 176.600 -0.024 0.000 1.002 158 E CA -0.365 56.074 56.400 0.065 0.000 0.864 158 E CB 2.357 32.135 29.700 0.129 0.000 1.573 158 E HN 1.095 nan 8.360 nan 0.000 0.456 159 G N 0.338 109.152 108.800 0.024 0.000 2.566 159 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.599 159 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.599 159 G C -0.654 174.099 174.900 -0.245 0.000 1.292 159 G CA -0.455 44.630 45.100 -0.025 0.000 0.922 159 G HN 0.380 nan 8.290 nan 0.000 0.514 160 S N 1.245 116.805 115.700 -0.233 0.000 2.546 160 S HA 0.412 4.882 4.470 -0.000 0.000 0.290 160 S C 0.711 175.138 174.600 -0.288 0.000 1.290 160 S CA 0.859 58.947 58.200 -0.188 0.000 1.069 160 S CB 0.690 63.964 63.200 0.124 0.000 0.846 160 S HN 0.816 nan 8.310 nan 0.000 0.495 161 Q N 2.035 121.695 119.800 -0.232 0.000 2.495 161 Q HA 0.722 5.062 4.340 -0.000 0.000 0.283 161 Q C -1.523 174.379 176.000 -0.163 0.000 1.097 161 Q CA -0.984 54.687 55.803 -0.220 0.000 0.836 161 Q CB 1.785 30.405 28.738 -0.196 0.000 1.426 161 Q HN 0.650 nan 8.270 nan 0.000 0.459 162 Y N 0.121 120.056 120.300 -0.609 0.000 2.409 162 Y HA 0.354 4.904 4.550 0.000 0.000 0.321 162 Y C -1.990 173.442 175.900 -0.780 0.000 1.209 162 Y CA -0.507 57.289 58.100 -0.506 0.000 1.086 162 Y CB 1.716 40.051 38.460 -0.208 0.000 1.320 162 Y HN 0.812 nan 8.280 nan 0.000 0.440 163 H N 4.920 123.831 119.070 -0.265 0.000 2.865 163 H HA 0.838 5.394 4.556 -0.000 0.000 0.362 163 H C -1.450 173.738 175.328 -0.233 0.000 1.114 163 H CA -0.843 55.094 56.048 -0.185 0.000 1.208 163 H CB 1.980 31.691 29.762 -0.086 0.000 1.727 163 H HN 0.513 nan 8.280 nan 0.000 0.534 164 V N 2.583 122.533 119.914 0.059 0.000 3.204 164 V HA 0.540 4.660 4.120 -0.000 0.000 0.298 164 V C -1.170 175.251 176.094 0.544 0.000 1.328 164 V CA -1.034 61.408 62.300 0.238 0.000 1.035 164 V CB 2.666 34.561 31.823 0.120 0.000 1.095 164 V HN 0.780 nan 8.190 nan 0.000 0.442 165 F N -0.153 120.049 119.950 0.421 0.000 2.807 165 F HA 0.996 5.523 4.527 -0.000 0.000 0.316 165 F C -0.881 175.238 175.800 0.532 0.000 1.162 165 F CA -0.723 57.574 58.000 0.495 0.000 0.910 165 F CB 1.079 40.339 39.000 0.433 0.000 1.314 165 F HN 1.111 nan 8.300 nan 0.000 0.454 166 A N 0.906 123.857 122.820 0.218 0.000 2.594 166 A HA 0.746 5.066 4.320 -0.000 0.000 0.296 166 A C -2.330 175.398 177.584 0.240 0.000 1.061 166 A CA -0.661 51.412 52.037 0.059 0.000 0.689 166 A CB 1.560 20.557 19.000 -0.005 0.000 1.280 166 A HN 1.419 nan 8.150 nan 0.000 0.406 167 V N 0.976 121.004 119.914 0.189 0.000 2.444 167 V HA 0.870 4.990 4.120 -0.000 0.000 0.294 167 V C 0.531 176.674 176.094 0.081 0.000 1.022 167 V CA 0.315 62.722 62.300 0.178 0.000 0.850 167 V CB 1.281 33.261 31.823 0.262 0.000 0.992 167 V HN 1.702 nan 8.190 nan 0.000 0.426 168 G N 2.166 111.007 108.800 0.068 0.000 2.660 168 G HA2 0.540 4.500 3.960 -0.000 0.000 0.290 168 G HA3 0.540 4.500 3.960 -0.000 0.000 0.290 168 G C 0.516 175.476 174.900 0.100 0.000 1.432 168 G CA 0.091 45.212 45.100 0.034 0.000 0.807 168 G HN 0.830 nan 8.290 nan 0.000 0.485 169 G N -0.989 107.840 108.800 0.049 0.000 2.572 169 G HA2 0.361 4.321 3.960 -0.000 0.000 0.216 169 G HA3 0.361 4.321 3.960 -0.000 0.000 0.216 169 G C 0.535 175.472 174.900 0.061 0.000 1.133 169 G CA 1.291 46.454 45.100 0.105 0.000 0.791 169 G HN 0.881 nan 8.290 nan 0.000 0.538 170 E N -0.026 119.979 120.200 -0.325 0.000 2.458 170 E HA 0.373 4.723 4.350 -0.000 0.000 0.278 170 E C -3.154 172.660 176.600 -1.311 0.000 1.004 170 E CA -2.141 53.765 56.400 -0.824 0.000 0.823 170 E CB 1.383 30.863 29.700 -0.368 0.000 1.396 170 E HN -0.100 nan 8.360 nan 0.000 0.463 171 P HA -0.021 nan 4.420 nan 0.000 0.270 171 P C 0.139 177.129 177.300 -0.516 0.000 1.227 171 P CA -0.404 62.194 63.100 -0.837 0.000 0.788 171 P CB 0.666 32.063 31.700 -0.505 0.000 0.926 172 L N 1.714 122.678 121.223 -0.431 0.000 2.380 172 L HA 0.150 4.490 4.340 -0.000 0.000 0.273 172 L C -0.435 176.176 176.870 -0.433 0.000 1.138 172 L CA 0.107 54.704 54.840 -0.404 0.000 0.832 172 L CB 0.150 41.931 42.059 -0.463 0.000 1.124 172 L HN 0.322 nan 8.230 nan 0.000 0.454 173 D N 4.569 124.770 120.400 -0.331 0.000 2.225 173 D HA 0.524 5.164 4.640 -0.000 0.000 0.248 173 D C -0.419 175.714 176.300 -0.279 0.000 1.096 173 D CA -0.183 53.650 54.000 -0.279 0.000 0.863 173 D CB 1.552 42.248 40.800 -0.174 0.000 1.156 173 D HN 0.224 nan 8.370 nan 0.000 0.450 174 L N 1.285 122.352 121.223 -0.259 0.000 2.271 174 L HA 0.613 4.953 4.340 -0.000 0.000 0.265 174 L C -0.230 176.700 176.870 0.100 0.000 1.013 174 L CA -0.892 53.870 54.840 -0.129 0.000 0.820 174 L CB 0.912 42.833 42.059 -0.230 0.000 1.352 174 L HN 0.223 nan 8.230 nan 0.000 0.443 175 Q N -0.377 119.616 119.800 0.320 0.000 2.353 175 Q HA 0.579 4.919 4.340 -0.000 0.000 0.275 175 Q C -1.086 175.144 176.000 0.383 0.000 1.029 175 Q CA -0.428 55.578 55.803 0.338 0.000 0.848 175 Q CB 2.599 31.438 28.738 0.167 0.000 1.390 175 Q HN 0.848 nan 8.270 nan 0.000 0.401 176 G N 1.848 110.746 108.800 0.162 0.000 2.356 176 G HA2 0.684 4.644 3.960 -0.000 0.000 0.322 176 G HA3 0.684 4.644 3.960 -0.000 0.000 0.322 176 G C -1.286 173.567 174.900 -0.078 0.000 1.125 176 G CA -0.292 44.703 45.100 -0.175 0.000 0.885 176 G HN 0.475 nan 8.290 nan 0.000 0.467 177 L N 2.351 123.531 121.223 -0.070 0.000 2.466 177 L HA 0.852 5.192 4.340 -0.000 0.000 0.258 177 L C -1.355 175.483 176.870 -0.053 0.000 0.973 177 L CA -0.852 53.934 54.840 -0.091 0.000 0.826 177 L CB 2.320 44.269 42.059 -0.184 0.000 1.372 177 L HN 0.550 nan 8.230 nan 0.000 0.409 178 V N 1.776 121.661 119.914 -0.049 0.000 3.188 178 V HA 0.450 4.570 4.120 -0.000 0.000 0.305 178 V C 0.635 176.725 176.094 -0.007 0.000 1.232 178 V CA 0.401 62.694 62.300 -0.013 0.000 1.043 178 V CB 2.489 34.312 31.823 0.001 0.000 1.068 178 V HN 0.999 nan 8.190 nan 0.000 0.439 179 T N 1.043 115.605 114.554 0.014 0.000 2.590 179 T HA -0.001 4.349 4.350 -0.000 0.000 0.257 179 T C 0.378 175.078 174.700 -0.001 0.000 1.080 179 T CA 1.395 63.497 62.100 0.004 0.000 1.180 179 T CB -0.249 68.629 68.868 0.017 0.000 0.865 179 T HN 0.652 nan 8.240 nan 0.000 0.403 180 D N 0.317 120.718 120.400 0.001 0.000 2.344 180 D HA 0.654 5.294 4.640 -0.000 0.000 0.239 180 D C 0.645 176.933 176.300 -0.020 0.000 1.064 180 D CA -0.138 53.851 54.000 -0.019 0.000 0.829 180 D CB 1.492 42.269 40.800 -0.038 0.000 1.129 180 D HN 0.297 nan 8.370 nan 0.000 0.506 181 A N 3.629 126.439 122.820 -0.016 0.000 2.121 181 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 181 A C 1.722 179.290 177.584 -0.027 0.000 1.154 181 A CA 0.941 52.972 52.037 -0.009 0.000 0.679 181 A CB -0.094 18.902 19.000 -0.007 0.000 0.795 181 A HN 0.543 nan 8.150 nan 0.000 0.458 182 R N -0.103 120.369 120.500 -0.046 0.000 2.313 182 R HA 0.100 4.440 4.340 -0.000 0.000 0.199 182 R C 0.263 176.498 176.300 -0.109 0.000 0.958 182 R CA 0.349 56.413 56.100 -0.060 0.000 1.047 182 R CB -0.631 29.638 30.300 -0.052 0.000 0.955 182 R HN 0.292 nan 8.270 nan 0.000 0.481 183 T N 1.868 116.324 114.554 -0.163 0.000 2.946 183 T HA 0.015 4.365 4.350 -0.000 0.000 0.311 183 T C 0.232 174.702 174.700 -0.383 0.000 1.063 183 T CA 0.454 62.352 62.100 -0.337 0.000 1.139 183 T CB 0.487 69.026 68.868 -0.547 0.000 0.994 183 T HN 0.122 nan 8.240 nan 0.000 0.547 184 K N 3.012 123.177 120.400 -0.392 0.000 2.459 184 K HA 0.231 4.551 4.320 -0.000 0.000 0.218 184 K C -1.032 175.436 176.600 -0.221 0.000 1.067 184 K CA -0.431 55.714 56.287 -0.236 0.000 1.045 184 K CB 0.334 32.758 32.500 -0.126 0.000 1.623 184 K HN 0.486 nan 8.250 nan 0.000 0.509 185 Y N 1.430 121.736 120.300 0.010 0.000 2.442 185 Y HA 0.034 4.584 4.550 0.000 0.000 0.330 185 Y C 0.446 176.359 175.900 0.021 0.000 1.129 185 Y CA -0.565 57.547 58.100 0.020 0.000 1.365 185 Y CB 0.394 38.868 38.460 0.023 0.000 1.233 185 Y HN 0.156 nan 8.280 nan 0.000 0.529 186 K N 2.711 123.215 120.400 0.173 0.000 2.378 186 K HA 0.010 4.330 4.320 -0.000 0.000 0.288 186 K C 0.939 177.604 176.600 0.108 0.000 1.057 186 K CA -0.024 56.325 56.287 0.103 0.000 0.971 186 K CB 0.142 32.689 32.500 0.079 0.000 0.975 186 K HN 0.709 nan 8.250 nan 0.000 0.475 187 E N 0.855 121.107 120.200 0.087 0.000 2.333 187 E HA -0.194 4.156 4.350 -0.000 0.000 0.198 187 E C 0.003 176.631 176.600 0.047 0.000 1.007 187 E CA 0.698 57.142 56.400 0.073 0.000 0.845 187 E CB 0.119 29.855 29.700 0.060 0.000 0.766 187 E HN 0.411 nan 8.360 nan 0.000 0.507 188 E N 0.504 120.731 120.200 0.045 0.000 2.089 188 E HA 0.286 4.636 4.350 -0.000 0.000 0.284 188 E C 0.302 176.921 176.600 0.032 0.000 1.023 188 E CA 0.288 56.707 56.400 0.031 0.000 0.819 188 E CB 0.657 30.375 29.700 0.029 0.000 1.076 188 E HN 0.285 nan 8.360 nan 0.000 0.396 189 G N 2.418 111.228 108.800 0.018 0.000 2.154 189 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.186 189 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.186 189 G C -0.434 174.469 174.900 0.006 0.000 1.000 189 G CA -0.195 44.914 45.100 0.016 0.000 0.664 189 G HN 1.162 nan 8.290 nan 0.000 0.513 190 V N -0.204 119.702 119.914 -0.015 0.000 2.971 190 V HA 0.570 4.690 4.120 -0.000 0.000 0.281 190 V C 0.149 176.196 176.094 -0.077 0.000 1.470 190 V CA -0.125 62.146 62.300 -0.047 0.000 0.966 190 V CB 1.854 33.676 31.823 -0.001 0.000 1.156 190 V HN 1.684 nan 8.190 nan 0.000 0.441 191 V N 3.665 123.459 119.914 -0.200 0.000 2.963 191 V HA 0.929 5.049 4.120 -0.000 0.000 0.306 191 V C 0.111 176.275 176.094 0.117 0.000 1.077 191 V CA 0.857 63.047 62.300 -0.184 0.000 1.124 191 V CB 0.945 32.368 31.823 -0.667 0.000 0.987 191 V HN 1.344 nan 8.190 nan 0.000 0.487 192 T N 1.847 116.544 114.554 0.239 0.000 3.225 192 T HA 0.425 4.775 4.350 -0.000 0.000 0.356 192 T C 0.437 175.311 174.700 0.291 0.000 1.460 192 T CA -0.149 62.087 62.100 0.227 0.000 1.126 192 T CB 1.128 70.038 68.868 0.069 0.000 1.321 192 T HN 0.901 nan 8.240 nan 0.000 0.478 193 I N 1.185 121.892 120.570 0.229 0.000 2.404 193 I HA -0.434 3.736 4.170 -0.000 0.000 0.236 193 I C 2.588 178.811 176.117 0.177 0.000 0.953 193 I CA 2.293 63.708 61.300 0.192 0.000 1.253 193 I CB -1.244 36.761 38.000 0.009 0.000 0.960 193 I HN 0.831 nan 8.210 nan 0.000 0.402 194 K N 1.750 122.226 120.400 0.126 0.000 2.002 194 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 194 K C 2.027 178.684 176.600 0.096 0.000 1.048 194 K CA 2.668 59.015 56.287 0.099 0.000 0.930 194 K CB -2.229 30.322 32.500 0.084 0.000 0.714 194 K HN 0.663 nan 8.250 nan 0.000 0.438 195 T N -0.219 114.394 114.554 0.098 0.000 2.896 195 T HA -0.160 4.190 4.350 -0.000 0.000 0.270 195 T C 1.935 176.673 174.700 0.064 0.000 1.104 195 T CA 1.502 63.641 62.100 0.065 0.000 1.115 195 T CB -0.415 68.478 68.868 0.041 0.000 0.843 195 T HN 0.459 nan 8.240 nan 0.000 0.523 196 I N -1.316 119.319 120.570 0.108 0.000 3.939 196 I HA 0.388 4.558 4.170 -0.000 0.000 0.313 196 I C 1.783 177.955 176.117 0.093 0.000 1.274 196 I CA 0.481 61.839 61.300 0.096 0.000 1.301 196 I CB 0.554 38.638 38.000 0.140 0.000 1.105 196 I HN 0.088 nan 8.210 nan 0.000 0.427 197 T N 0.041 114.657 114.554 0.104 0.000 3.040 197 T HA 0.260 4.610 4.350 -0.000 0.000 0.266 197 T C 0.893 175.629 174.700 0.060 0.000 1.005 197 T CA 0.236 62.385 62.100 0.082 0.000 0.906 197 T CB -0.147 68.778 68.868 0.095 0.000 1.082 197 T HN 0.271 nan 8.240 nan 0.000 0.531 198 K N 0.415 120.850 120.400 0.058 0.000 10.883 198 K HA -0.195 4.125 4.320 -0.000 0.000 0.526 198 K C 0.318 176.945 176.600 0.044 0.000 0.382 198 K CA 1.725 58.038 56.287 0.045 0.000 1.943 198 K CB -1.595 30.926 32.500 0.034 0.000 0.766 198 K HN 0.402 nan 8.250 nan 0.000 1.214 199 K N 3.333 123.757 120.400 0.039 0.000 2.518 199 K HA 0.080 4.400 4.320 -0.000 0.000 0.276 199 K C 0.303 176.927 176.600 0.040 0.000 0.974 199 K CA 0.693 57.001 56.287 0.034 0.000 0.986 199 K CB 0.117 32.634 32.500 0.030 0.000 0.901 199 K HN 0.239 nan 8.250 nan 0.000 0.497 200 D N 0.992 121.413 120.400 0.034 0.000 2.312 200 D HA -0.018 4.622 4.640 -0.000 0.000 0.244 200 D C 0.660 176.981 176.300 0.034 0.000 1.328 200 D CA 0.223 54.245 54.000 0.036 0.000 0.965 200 D CB 0.421 41.237 40.800 0.026 0.000 1.140 200 D HN 0.286 nan 8.370 nan 0.000 0.523 201 M N -0.135 119.485 119.600 0.033 0.000 2.103 201 M HA 0.353 4.833 4.480 -0.000 0.000 0.291 201 M C -0.363 175.945 176.300 0.014 0.000 1.216 201 M CA -0.170 55.145 55.300 0.024 0.000 1.132 201 M CB 0.422 33.038 32.600 0.027 0.000 1.396 201 M HN 0.085 nan 8.290 nan 0.000 0.479 202 V N -0.382 119.537 119.914 0.007 0.000 3.188 202 V HA 0.187 4.307 4.120 -0.000 0.000 0.305 202 V C 0.492 176.585 176.094 -0.003 0.000 1.232 202 V CA -0.973 61.329 62.300 0.003 0.000 1.043 202 V CB 1.764 33.590 31.823 0.005 0.000 1.068 202 V HN 0.910 nan 8.190 nan 0.000 0.439 203 N N 1.306 120.003 118.700 -0.004 0.000 2.272 203 N HA -0.195 4.545 4.740 -0.000 0.000 0.185 203 N C 1.119 176.623 175.510 -0.010 0.000 1.014 203 N CA 1.626 54.671 53.050 -0.008 0.000 0.870 203 N CB -0.398 38.084 38.487 -0.007 0.000 0.975 203 N HN 0.779 nan 8.380 nan 0.000 0.433 204 K N 0.148 120.544 120.400 -0.007 0.000 2.147 204 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 204 K C 0.852 177.442 176.600 -0.016 0.000 1.049 204 K CA 1.356 57.638 56.287 -0.009 0.000 0.936 204 K CB 0.003 32.502 32.500 -0.002 0.000 0.722 204 K HN 0.205 nan 8.250 nan 0.000 0.446 205 D N 0.587 120.977 120.400 -0.017 0.000 2.312 205 D HA -0.136 4.504 4.640 -0.000 0.000 0.211 205 D C 1.479 177.755 176.300 -0.039 0.000 0.964 205 D CA 0.846 54.827 54.000 -0.033 0.000 0.877 205 D CB 0.034 40.814 40.800 -0.034 0.000 0.924 205 D HN 0.217 nan 8.370 nan 0.000 0.515 206 Q N 0.180 119.963 119.800 -0.028 0.000 2.515 206 Q HA 0.014 4.354 4.340 -0.000 0.000 0.212 206 Q C 0.751 176.729 176.000 -0.037 0.000 0.970 206 Q CA 0.195 55.981 55.803 -0.029 0.000 0.941 206 Q CB 0.332 29.058 28.738 -0.020 0.000 0.998 206 Q HN 0.279 nan 8.270 nan 0.000 0.518 207 V N -4.808 115.083 119.914 -0.039 0.000 5.335 207 V HA 0.293 4.413 4.120 -0.000 0.000 0.307 207 V C -0.837 175.230 176.094 -0.045 0.000 1.594 207 V CA -1.148 61.125 62.300 -0.044 0.000 0.784 207 V CB 0.181 31.986 31.823 -0.031 0.000 1.311 207 V HN -0.117 nan 8.190 nan 0.000 0.439 208 L N 3.383 124.586 121.223 -0.033 0.000 2.454 208 L HA 0.497 4.837 4.340 -0.000 0.000 0.284 208 L C -0.129 176.735 176.870 -0.010 0.000 1.139 208 L CA 0.430 55.255 54.840 -0.024 0.000 0.911 208 L CB -1.166 40.883 42.059 -0.017 0.000 1.262 208 L HN 0.776 nan 8.230 nan 0.000 0.453 209 N N 6.011 124.706 118.700 -0.008 0.000 2.678 209 N HA 0.363 5.103 4.740 -0.000 0.000 0.231 209 N C -2.027 173.499 175.510 0.027 0.000 1.038 209 N CA -2.209 50.846 53.050 0.007 0.000 0.932 209 N CB 1.237 39.726 38.487 0.004 0.000 1.176 209 N HN 0.263 nan 8.380 nan 0.000 0.511 210 P HA -0.073 nan 4.420 nan 0.000 0.229 210 P C 0.426 177.751 177.300 0.041 0.000 1.150 210 P CA 0.746 63.865 63.100 0.031 0.000 0.765 210 P CB 0.296 32.008 31.700 0.021 0.000 0.783 211 I N -2.435 118.163 120.570 0.046 0.000 2.729 211 I HA -0.012 4.158 4.170 -0.000 0.000 0.256 211 I C 0.990 177.160 176.117 0.088 0.000 1.115 211 I CA 0.841 62.174 61.300 0.055 0.000 1.446 211 I CB -1.190 36.838 38.000 0.047 0.000 1.176 211 I HN -0.333 nan 8.210 nan 0.000 0.446 212 S N 3.629 119.385 115.700 0.092 0.000 3.806 212 S HA 0.082 4.552 4.470 -0.000 0.000 0.218 212 S C 0.125 174.876 174.600 0.252 0.000 1.146 212 S CA 0.288 58.576 58.200 0.147 0.000 1.030 212 S CB -1.149 62.083 63.200 0.053 0.000 1.617 212 S HN 0.200 nan 8.310 nan 0.000 0.487 213 K N 1.489 122.041 120.400 0.254 0.000 2.378 213 K HA 0.768 5.088 4.320 -0.000 0.000 0.252 213 K C -0.381 176.303 176.600 0.140 0.000 0.931 213 K CA -0.546 55.879 56.287 0.230 0.000 0.794 213 K CB 2.182 34.741 32.500 0.099 0.000 1.181 213 K HN 0.374 nan 8.250 nan 0.000 0.425 214 A N 2.376 125.180 122.820 -0.025 0.000 2.504 214 A HA 0.678 4.998 4.320 -0.000 0.000 0.285 214 A C -1.300 176.059 177.584 -0.374 0.000 1.261 214 A CA -0.736 51.131 52.037 -0.285 0.000 0.741 214 A CB 1.414 20.015 19.000 -0.664 0.000 1.327 214 A HN 0.583 nan 8.150 nan 0.000 0.441 215 K N -0.376 119.782 120.400 -0.403 0.000 2.295 215 K HA 0.524 4.844 4.320 -0.000 0.000 0.239 215 K C -0.491 175.665 176.600 -0.740 0.000 0.991 215 K CA -0.744 55.271 56.287 -0.454 0.000 0.845 215 K CB 1.743 34.074 32.500 -0.282 0.000 1.197 215 K HN 0.508 nan 8.250 nan 0.000 0.441 216 L N 3.371 124.159 121.223 -0.725 0.000 2.777 216 L HA -0.053 4.287 4.340 -0.000 0.000 0.244 216 L C 0.987 177.618 176.870 -0.398 0.000 1.235 216 L CA 0.194 54.520 54.840 -0.856 0.000 1.062 216 L CB -0.610 41.082 42.059 -0.611 0.000 1.340 216 L HN 0.706 nan 8.230 nan 0.000 0.439 217 D N -0.128 120.152 120.400 -0.201 0.000 2.116 217 D HA -0.216 4.424 4.640 -0.000 0.000 0.193 217 D C 1.155 177.517 176.300 0.102 0.000 0.998 217 D CA 1.326 55.324 54.000 -0.002 0.000 0.836 217 D CB 0.255 41.068 40.800 0.021 0.000 0.951 217 D HN 0.221 nan 8.370 nan 0.000 0.449 218 K N 0.140 120.728 120.400 0.314 0.000 2.727 218 K HA 0.312 4.632 4.320 -0.000 0.000 0.299 218 K C -0.091 176.679 176.600 0.283 0.000 0.996 218 K CA -0.539 55.904 56.287 0.260 0.000 1.212 218 K CB 0.568 33.132 32.500 0.107 0.000 1.529 218 K HN 0.065 nan 8.250 nan 0.000 0.646 219 D N -1.682 118.851 120.400 0.222 0.000 2.769 219 D HA 0.224 4.864 4.640 -0.000 0.000 0.219 219 D C -0.412 175.994 176.300 0.177 0.000 1.245 219 D CA 0.159 54.283 54.000 0.208 0.000 0.801 219 D CB 1.387 42.264 40.800 0.128 0.000 1.598 219 D HN 0.538 nan 8.370 nan 0.000 0.485 220 G N 2.438 111.368 108.800 0.217 0.000 2.305 220 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.287 220 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.287 220 G C 0.354 175.333 174.900 0.131 0.000 1.036 220 G CA 1.152 46.352 45.100 0.167 0.000 0.887 220 G HN 0.480 nan 8.290 nan 0.000 0.505 221 M N -2.224 117.474 119.600 0.164 0.000 2.046 221 M HA 0.396 4.876 4.480 -0.000 0.000 0.246 221 M C 0.022 176.307 176.300 -0.024 0.000 1.248 221 M CA 0.016 55.316 55.300 -0.000 0.000 1.053 221 M CB 0.628 33.125 32.600 -0.172 0.000 1.741 221 M HN 0.130 nan 8.290 nan 0.000 0.606 222 Y N 3.188 123.551 120.300 0.104 0.000 2.504 222 Y HA 0.379 4.929 4.550 0.000 0.000 0.351 222 Y C -2.120 173.994 175.900 0.357 0.000 0.988 222 Y CA -2.885 55.330 58.100 0.191 0.000 1.239 222 Y CB -0.592 37.822 38.460 -0.077 0.000 1.128 222 Y HN 0.112 nan 8.280 nan 0.000 0.525 223 P HA -0.021 nan 4.420 nan 0.000 0.271 223 P C 0.679 178.080 177.300 0.168 0.000 1.216 223 P CA 0.086 63.272 63.100 0.144 0.000 0.776 223 P CB 1.841 33.532 31.700 -0.015 0.000 0.881 224 V N 2.726 122.593 119.914 -0.078 0.000 2.626 224 V HA -0.200 3.920 4.120 -0.000 0.000 0.252 224 V C 2.514 178.454 176.094 -0.257 0.000 1.067 224 V CA 1.865 64.025 62.300 -0.232 0.000 1.081 224 V CB -1.603 29.861 31.823 -0.598 0.000 0.686 224 V HN 0.616 nan 8.190 nan 0.000 0.468 225 E N 0.252 120.321 120.200 -0.219 0.000 2.284 225 E HA -0.228 4.122 4.350 -0.000 0.000 0.200 225 E C 1.850 178.362 176.600 -0.147 0.000 1.008 225 E CA 1.754 58.063 56.400 -0.151 0.000 0.829 225 E CB -0.022 29.651 29.700 -0.045 0.000 0.744 225 E HN 0.719 nan 8.360 nan 0.000 0.491 226 I N -1.917 118.493 120.570 -0.266 0.000 3.673 226 I HA 0.087 4.257 4.170 -0.000 0.000 0.281 226 I C 0.272 176.026 176.117 -0.605 0.000 1.182 226 I CA -0.290 60.724 61.300 -0.476 0.000 1.391 226 I CB 0.027 37.496 38.000 -0.885 0.000 1.383 226 I HN 0.010 nan 8.210 nan 0.000 0.456 227 W N 2.675 123.877 121.300 -0.165 0.000 2.315 227 W HA 0.374 5.034 4.660 -0.000 0.000 0.316 227 W C 0.048 176.319 176.519 -0.414 0.000 1.211 227 W CA -0.099 57.160 57.345 -0.143 0.000 1.201 227 W CB 0.492 29.981 29.460 0.049 0.000 1.184 227 W HN 0.007 nan 8.180 nan 0.000 0.544 228 H N 2.196 121.489 119.070 0.372 0.000 2.895 228 H HA 0.222 4.778 4.556 -0.000 0.000 0.373 228 H C -2.370 172.941 175.328 -0.029 0.000 1.174 228 H CA -2.257 53.913 56.048 0.204 0.000 1.144 228 H CB 1.814 31.649 29.762 0.121 0.000 1.793 228 H HN 0.078 nan 8.280 nan 0.000 0.551 229 P HA -0.042 nan 4.420 nan 0.000 0.268 229 P C -0.262 176.886 177.300 -0.254 0.000 1.282 229 P CA 0.154 62.977 63.100 -0.462 0.000 0.880 229 P CB 0.177 31.189 31.700 -1.147 0.000 0.971 230 D N 5.990 126.323 120.400 -0.113 0.000 2.348 230 D HA 0.119 4.759 4.640 -0.000 0.000 0.253 230 D C -1.898 174.411 176.300 0.016 0.000 1.161 230 D CA -2.470 51.522 54.000 -0.013 0.000 0.876 230 D CB 0.447 41.250 40.800 0.005 0.000 1.160 230 D HN 0.226 nan 8.370 nan 0.000 0.459 231 P HA 0.204 nan 4.420 nan 0.000 0.225 231 P C -0.645 176.676 177.300 0.036 0.000 1.813 231 P CA -0.453 62.702 63.100 0.091 0.000 1.013 231 P CB -0.034 31.726 31.700 0.100 0.000 1.961 232 A N 3.469 126.299 122.820 0.016 0.000 2.526 232 A HA -0.013 4.307 4.320 -0.000 0.000 0.267 232 A C 1.650 179.231 177.584 -0.004 0.000 1.095 232 A CA -0.037 51.998 52.037 -0.003 0.000 0.775 232 A CB -0.001 18.983 19.000 -0.025 0.000 1.036 232 A HN 0.381 nan 8.150 nan 0.000 0.510 233 K N 2.557 122.955 120.400 -0.002 0.000 2.317 233 K HA -0.236 4.084 4.320 -0.000 0.000 0.206 233 K C 0.191 176.783 176.600 -0.014 0.000 1.039 233 K CA 2.162 58.446 56.287 -0.006 0.000 0.935 233 K CB -0.419 32.078 32.500 -0.004 0.000 0.733 233 K HN 0.505 nan 8.250 nan 0.000 0.487 234 N N 0.935 119.623 118.700 -0.019 0.000 2.372 234 N HA 0.372 5.112 4.740 -0.000 0.000 0.291 234 N C -1.530 173.957 175.510 -0.038 0.000 1.024 234 N CA -0.502 52.532 53.050 -0.027 0.000 0.873 234 N CB 1.796 40.266 38.487 -0.027 0.000 1.206 234 N HN 0.266 nan 8.380 nan 0.000 0.486 235 E N 0.504 120.677 120.200 -0.046 0.000 2.378 235 E HA 0.271 4.621 4.350 -0.000 0.000 0.283 235 E C -1.094 175.468 176.600 -0.064 0.000 0.979 235 E CA -0.363 56.002 56.400 -0.060 0.000 0.795 235 E CB 1.009 30.674 29.700 -0.058 0.000 1.221 235 E HN 0.388 nan 8.360 nan 0.000 0.428 236 N N 1.405 120.062 118.700 -0.072 0.000 2.299 236 N HA 0.234 4.974 4.740 -0.000 0.000 0.246 236 N C -1.446 174.026 175.510 -0.064 0.000 1.254 236 N CA 0.187 53.202 53.050 -0.058 0.000 0.879 236 N CB 0.827 39.285 38.487 -0.047 0.000 1.214 236 N HN 0.392 nan 8.380 nan 0.000 0.510 237 T N -0.871 113.631 114.554 -0.087 0.000 2.907 237 T HA 0.593 4.943 4.350 -0.000 0.000 0.290 237 T C -0.778 173.828 174.700 -0.157 0.000 1.066 237 T CA -0.858 61.188 62.100 -0.090 0.000 1.012 237 T CB 1.954 70.764 68.868 -0.097 0.000 1.184 237 T HN -0.112 nan 8.240 nan 0.000 0.522 238 R N 1.219 121.593 120.500 -0.211 0.000 2.514 238 R HA 0.462 4.802 4.340 -0.000 0.000 0.296 238 R C -1.590 174.268 176.300 -0.738 0.000 1.012 238 R CA -0.721 55.073 56.100 -0.511 0.000 0.897 238 R CB 1.422 31.553 30.300 -0.282 0.000 1.184 238 R HN 0.889 nan 8.270 nan 0.000 0.440 239 Y N 0.805 120.484 120.300 -1.035 0.000 2.570 239 Y HA 0.883 5.433 4.550 0.000 0.000 0.345 239 Y C -1.069 174.049 175.900 -1.304 0.000 1.014 239 Y CA -1.852 55.687 58.100 -0.935 0.000 1.063 239 Y CB 1.375 39.589 38.460 -0.411 0.000 1.272 239 Y HN 0.352 nan 8.280 nan 0.000 0.477 240 F N -0.617 119.278 119.950 -0.091 0.000 2.703 240 F HA 0.876 5.403 4.527 -0.000 0.000 0.308 240 F C -0.095 175.782 175.800 0.128 0.000 1.126 240 F CA -1.257 56.776 58.000 0.055 0.000 0.959 240 F CB 1.617 40.604 39.000 -0.022 0.000 1.297 240 F HN 0.967 nan 8.300 nan 0.000 0.441 241 G N 0.854 109.871 108.800 0.361 0.000 2.322 241 G HA2 0.501 4.461 3.960 -0.000 0.000 0.295 241 G HA3 0.501 4.461 3.960 -0.000 0.000 0.295 241 G C -2.476 172.471 174.900 0.078 0.000 1.369 241 G CA -0.725 44.482 45.100 0.177 0.000 0.821 241 G HN 1.344 nan 8.290 nan 0.000 0.536 242 N N -2.049 116.614 118.700 -0.060 0.000 2.484 242 N HA 0.597 5.337 4.740 -0.000 0.000 0.269 242 N C -1.742 173.767 175.510 -0.001 0.000 1.237 242 N CA -0.887 52.165 53.050 0.003 0.000 0.838 242 N CB 2.187 40.710 38.487 0.061 0.000 1.593 242 N HN 0.796 nan 8.380 nan 0.000 0.485 243 Y N 0.979 121.317 120.300 0.063 0.000 2.387 243 Y HA 0.647 5.197 4.550 -0.000 0.000 0.336 243 Y C -1.116 174.849 175.900 0.107 0.000 1.067 243 Y CA -0.357 57.863 58.100 0.199 0.000 1.114 243 Y CB 1.825 40.444 38.460 0.265 0.000 1.208 243 Y HN 0.676 nan 8.280 nan 0.000 0.458 244 T N 4.563 118.631 114.554 -0.810 0.000 3.089 244 T HA 0.478 4.828 4.350 -0.000 0.000 0.340 244 T C 0.369 174.487 174.700 -0.969 0.000 1.008 244 T CA -0.466 61.249 62.100 -0.642 0.000 1.096 244 T CB 0.555 69.249 68.868 -0.290 0.000 1.024 244 T HN 0.969 nan 8.240 nan 0.000 0.477 245 G N 1.140 109.261 108.800 -1.131 0.000 2.447 245 G HA2 0.652 4.612 3.960 -0.000 0.000 0.269 245 G HA3 0.652 4.612 3.960 -0.000 0.000 0.269 245 G C 0.533 175.370 174.900 -0.106 0.000 1.455 245 G CA 0.079 44.887 45.100 -0.486 0.000 1.061 245 G HN 1.533 nan 8.290 nan 0.000 0.545 246 G N -3.486 105.366 108.800 0.087 0.000 2.650 246 G HA2 0.260 4.220 3.960 -0.000 0.000 0.686 246 G HA3 0.260 4.220 3.960 -0.000 0.000 0.686 246 G C 0.537 175.558 174.900 0.202 0.000 1.205 246 G CA 0.648 45.809 45.100 0.103 0.000 0.781 246 G HN 1.528 nan 8.290 nan 0.000 0.648 247 T N -3.055 111.611 114.554 0.188 0.000 3.010 247 T HA 0.219 4.569 4.350 -0.000 0.000 0.252 247 T C 1.780 176.648 174.700 0.280 0.000 1.047 247 T CA 2.069 64.317 62.100 0.246 0.000 1.140 247 T CB 0.072 69.018 68.868 0.130 0.000 0.885 247 T HN 1.749 nan 8.240 nan 0.000 0.464 248 T N 0.394 115.053 114.554 0.174 0.000 3.339 248 T HA 0.285 4.635 4.350 -0.000 0.000 0.292 248 T C 0.017 174.772 174.700 0.091 0.000 1.012 248 T CA -0.520 61.666 62.100 0.144 0.000 0.937 248 T CB -0.180 68.748 68.868 0.100 0.000 1.164 248 T HN 0.194 nan 8.240 nan 0.000 0.509 249 T N 5.041 119.639 114.554 0.073 0.000 2.799 249 T HA 0.306 4.656 4.350 -0.000 0.000 0.296 249 T C -2.608 172.093 174.700 0.002 0.000 0.947 249 T CA -0.904 61.208 62.100 0.021 0.000 1.141 249 T CB 0.633 69.494 68.868 -0.011 0.000 0.891 249 T HN 0.127 nan 8.240 nan 0.000 0.533 250 P HA 0.223 nan 4.420 nan 0.000 0.267 250 P C -2.393 174.899 177.300 -0.014 0.000 1.209 250 P CA -1.101 62.000 63.100 0.002 0.000 0.763 250 P CB -0.179 31.524 31.700 0.005 0.000 0.816 251 P HA 0.226 nan 4.420 nan 0.000 0.277 251 P C -0.959 176.326 177.300 -0.025 0.000 1.240 251 P CA -0.039 63.050 63.100 -0.019 0.000 0.798 251 P CB 0.698 32.388 31.700 -0.017 0.000 0.979 252 V N 1.236 121.132 119.914 -0.030 0.000 3.087 252 V HA 0.660 4.780 4.120 -0.000 0.000 0.306 252 V C -0.489 175.541 176.094 -0.107 0.000 1.187 252 V CA -0.661 61.606 62.300 -0.055 0.000 0.999 252 V CB 1.880 33.679 31.823 -0.039 0.000 1.049 252 V HN 0.403 nan 8.190 nan 0.000 0.431 253 L N 0.902 122.031 121.223 -0.155 0.000 2.801 253 L HA 0.632 4.972 4.340 -0.000 0.000 0.264 253 L C -1.383 175.355 176.870 -0.219 0.000 1.086 253 L CA -0.341 54.346 54.840 -0.254 0.000 0.920 253 L CB 2.715 44.524 42.059 -0.416 0.000 1.529 253 L HN 0.652 nan 8.230 nan 0.000 0.399 254 Q N 1.627 121.272 119.800 -0.259 0.000 2.907 254 Q HA 0.330 4.670 4.340 -0.000 0.000 0.262 254 Q C -1.253 174.686 176.000 -0.102 0.000 0.997 254 Q CA -0.302 55.412 55.803 -0.149 0.000 0.797 254 Q CB 0.790 29.451 28.738 -0.129 0.000 1.228 254 Q HN 0.301 nan 8.270 nan 0.000 0.466 255 F N 2.127 122.005 119.950 -0.120 0.000 2.531 255 F HA 0.138 4.665 4.527 -0.000 0.000 0.340 255 F C 0.763 176.490 175.800 -0.121 0.000 1.247 255 F CA 0.628 58.552 58.000 -0.127 0.000 1.027 255 F CB 0.052 38.988 39.000 -0.108 0.000 1.241 255 F HN 0.105 nan 8.300 nan 0.000 0.622 256 T N 2.415 117.016 114.554 0.078 0.000 3.225 256 T HA 0.231 4.581 4.350 -0.000 0.000 0.356 256 T C -0.178 174.491 174.700 -0.051 0.000 1.460 256 T CA -0.882 61.215 62.100 -0.006 0.000 1.126 256 T CB 0.537 69.397 68.868 -0.014 0.000 1.321 256 T HN 0.574 nan 8.240 nan 0.000 0.478 257 N N 2.074 120.739 118.700 -0.059 0.000 2.376 257 N HA 0.215 4.955 4.740 -0.000 0.000 0.249 257 N C 0.822 176.311 175.510 -0.035 0.000 1.140 257 N CA -0.396 52.618 53.050 -0.059 0.000 0.870 257 N CB 0.636 39.077 38.487 -0.078 0.000 1.124 257 N HN 0.431 nan 8.380 nan 0.000 0.505 258 T N -0.519 114.015 114.554 -0.033 0.000 2.990 258 T HA 0.173 4.523 4.350 -0.000 0.000 0.237 258 T C 0.633 175.322 174.700 -0.018 0.000 1.009 258 T CA 0.278 62.364 62.100 -0.024 0.000 1.195 258 T CB 0.237 69.090 68.868 -0.024 0.000 0.885 258 T HN 0.095 nan 8.240 nan 0.000 0.424 259 L N 2.187 123.395 121.223 -0.025 0.000 2.344 259 L HA 0.464 4.804 4.340 -0.000 0.000 0.272 259 L C 0.179 177.033 176.870 -0.027 0.000 1.035 259 L CA -0.841 53.986 54.840 -0.021 0.000 0.807 259 L CB 1.749 43.797 42.059 -0.019 0.000 1.237 259 L HN 0.330 nan 8.230 nan 0.000 0.442 260 T N -1.232 113.314 114.554 -0.014 0.000 2.881 260 T HA 0.462 4.812 4.350 -0.000 0.000 0.278 260 T C -0.126 174.566 174.700 -0.012 0.000 0.982 260 T CA -0.601 61.494 62.100 -0.007 0.000 0.989 260 T CB 1.689 70.564 68.868 0.012 0.000 1.058 260 T HN 0.476 nan 8.240 nan 0.000 0.529 261 T N 1.416 115.969 114.554 -0.001 0.000 2.861 261 T HA 0.539 4.889 4.350 -0.000 0.000 0.287 261 T C -0.288 174.448 174.700 0.061 0.000 1.003 261 T CA -0.763 61.342 62.100 0.008 0.000 0.977 261 T CB 1.283 70.133 68.868 -0.031 0.000 0.996 261 T HN 0.639 nan 8.240 nan 0.000 0.448 262 V N 3.414 123.370 119.914 0.070 0.000 2.364 262 V HA 0.378 4.498 4.120 -0.000 0.000 0.272 262 V C 0.971 177.143 176.094 0.131 0.000 1.036 262 V CA -0.590 61.764 62.300 0.090 0.000 0.880 262 V CB 0.398 32.261 31.823 0.066 0.000 0.991 262 V HN 0.858 nan 8.190 nan 0.000 0.460 263 L N 3.557 124.859 121.223 0.133 0.000 2.627 263 L HA 0.194 4.534 4.340 -0.000 0.000 0.233 263 L C 0.720 177.638 176.870 0.080 0.000 1.144 263 L CA 0.178 55.099 54.840 0.135 0.000 0.892 263 L CB -0.280 41.857 42.059 0.131 0.000 1.039 263 L HN 0.488 nan 8.230 nan 0.000 0.442 264 L N 1.098 122.363 121.223 0.069 0.000 2.461 264 L HA 0.008 4.348 4.340 -0.000 0.000 0.272 264 L C 0.725 177.615 176.870 0.033 0.000 1.197 264 L CA 0.537 55.405 54.840 0.047 0.000 0.836 264 L CB 0.252 42.337 42.059 0.043 0.000 1.105 264 L HN 0.161 nan 8.230 nan 0.000 0.477 265 D N 1.779 122.192 120.400 0.021 0.000 2.506 265 D HA 0.049 4.689 4.640 -0.000 0.000 0.272 265 D C 0.584 176.888 176.300 0.007 0.000 1.214 265 D CA -0.238 53.765 54.000 0.005 0.000 1.067 265 D CB 0.590 41.389 40.800 -0.002 0.000 1.117 265 D HN 0.617 nan 8.370 nan 0.000 0.578 266 E N -0.798 119.401 120.200 -0.002 0.000 2.204 266 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 266 E C 1.046 177.649 176.600 0.005 0.000 0.990 266 E CA 0.922 57.322 56.400 0.001 0.000 0.821 266 E CB -0.018 29.678 29.700 -0.006 0.000 0.750 266 E HN 0.385 nan 8.360 nan 0.000 0.477 267 N N -0.368 118.336 118.700 0.006 0.000 2.236 267 N HA 0.065 4.805 4.740 -0.000 0.000 0.196 267 N C 0.280 175.799 175.510 0.015 0.000 1.114 267 N CA 0.783 53.839 53.050 0.010 0.000 0.859 267 N CB 1.586 40.078 38.487 0.008 0.000 0.982 267 N HN 0.168 nan 8.380 nan 0.000 0.493 268 G N 0.686 109.496 108.800 0.017 0.000 2.638 268 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.269 268 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.269 268 G C 0.255 175.170 174.900 0.026 0.000 1.141 268 G CA 0.132 45.246 45.100 0.023 0.000 1.081 268 G HN 0.159 nan 8.290 nan 0.000 0.527 269 V N -0.152 119.776 119.914 0.024 0.000 3.279 269 V HA 0.793 4.913 4.120 -0.000 0.000 0.213 269 V C 1.934 178.046 176.094 0.030 0.000 1.335 269 V CA 1.631 63.946 62.300 0.025 0.000 1.317 269 V CB -0.036 31.797 31.823 0.018 0.000 1.209 269 V HN 2.463 nan 8.190 nan 0.000 0.525 270 G N 1.287 110.103 108.800 0.026 0.000 2.829 270 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.628 270 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.628 270 G C -3.099 171.819 174.900 0.030 0.000 1.412 270 G CA -0.470 44.650 45.100 0.034 0.000 0.864 270 G HN 0.358 nan 8.290 nan 0.000 0.544 271 P HA 0.605 nan 4.420 nan 0.000 0.276 271 P C -0.439 176.894 177.300 0.055 0.000 1.252 271 P CA -0.399 62.723 63.100 0.037 0.000 0.802 271 P CB 0.616 32.341 31.700 0.042 0.000 1.035 272 L N 0.941 122.197 121.223 0.055 0.000 2.404 272 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 272 L C -0.688 176.236 176.870 0.091 0.000 0.980 272 L CA -0.377 54.505 54.840 0.070 0.000 0.836 272 L CB 0.894 42.975 42.059 0.037 0.000 1.238 272 L HN 0.332 nan 8.230 nan 0.000 0.408 273 C N 2.880 122.263 119.300 0.137 0.000 2.663 273 C HA 0.210 4.670 4.460 -0.000 0.000 0.379 273 C C 1.042 176.125 174.990 0.154 0.000 1.255 273 C CA -0.867 58.250 59.018 0.165 0.000 1.503 273 C CB -1.915 25.934 27.740 0.182 0.000 2.187 273 C HN 0.785 nan 8.230 nan 0.000 0.580 274 K N 3.457 123.943 120.400 0.142 0.000 2.154 274 K HA 0.602 4.922 4.320 -0.000 0.000 0.264 274 K C 0.840 177.546 176.600 0.177 0.000 1.008 274 K CA 0.396 56.759 56.287 0.127 0.000 0.937 274 K CB 0.519 33.070 32.500 0.086 0.000 1.002 274 K HN 0.889 nan 8.250 nan 0.000 0.469 275 G N 1.442 110.349 108.800 0.178 0.000 2.528 275 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.262 275 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.262 275 G C -0.334 174.657 174.900 0.151 0.000 1.200 275 G CA 0.122 45.318 45.100 0.161 0.000 0.951 275 G HN 0.677 nan 8.290 nan 0.000 0.566 276 E N 0.959 121.230 120.200 0.118 0.000 3.105 276 E HA 0.377 4.727 4.350 -0.000 0.000 0.198 276 E C 0.845 177.491 176.600 0.076 0.000 0.976 276 E CA 0.491 56.981 56.400 0.151 0.000 1.219 276 E CB 0.451 30.250 29.700 0.165 0.000 1.081 276 E HN 0.929 nan 8.360 nan 0.000 0.464 277 G N 0.947 109.772 108.800 0.043 0.000 2.390 277 G HA2 0.420 4.380 3.960 -0.000 0.000 0.270 277 G HA3 0.420 4.380 3.960 -0.000 0.000 0.270 277 G C -0.455 174.386 174.900 -0.098 0.000 1.211 277 G CA -0.352 44.646 45.100 -0.170 0.000 0.842 277 G HN 0.154 nan 8.290 nan 0.000 0.519 278 L N 2.785 123.841 121.223 -0.279 0.000 2.319 278 L HA 0.479 4.819 4.340 -0.000 0.000 0.281 278 L C -1.251 175.492 176.870 -0.211 0.000 1.005 278 L CA -0.956 53.804 54.840 -0.133 0.000 0.828 278 L CB 1.204 43.152 42.059 -0.185 0.000 1.227 278 L HN 0.516 nan 8.230 nan 0.000 0.415 279 Y N 5.393 125.631 120.300 -0.103 0.000 2.369 279 Y HA 0.441 4.991 4.550 -0.000 0.000 0.337 279 Y C -0.041 175.775 175.900 -0.140 0.000 0.961 279 Y CA -0.525 57.502 58.100 -0.122 0.000 1.186 279 Y CB 1.391 39.787 38.460 -0.106 0.000 1.139 279 Y HN 0.374 nan 8.280 nan 0.000 0.494 280 L N 4.015 125.186 121.223 -0.086 0.000 2.317 280 L HA 0.755 5.095 4.340 -0.000 0.000 0.281 280 L C -0.479 176.330 176.870 -0.103 0.000 1.024 280 L CA -0.519 54.171 54.840 -0.249 0.000 0.810 280 L CB 1.639 43.292 42.059 -0.678 0.000 1.240 280 L HN 0.656 nan 8.230 nan 0.000 0.427 281 S N 1.471 117.214 115.700 0.071 0.000 2.535 281 S HA 0.771 5.241 4.470 -0.000 0.000 0.272 281 S C -0.793 174.120 174.600 0.523 0.000 1.149 281 S CA -0.956 57.382 58.200 0.230 0.000 0.888 281 S CB 1.714 64.964 63.200 0.085 0.000 1.110 281 S HN 0.950 nan 8.310 nan 0.000 0.463 282 C N -0.232 119.445 119.300 0.629 0.000 3.233 282 C HA 0.939 5.399 4.460 -0.000 0.000 0.358 282 C C -1.618 173.549 174.990 0.296 0.000 1.461 282 C CA -0.301 59.096 59.018 0.631 0.000 1.180 282 C CB 0.521 28.651 27.740 0.649 0.000 1.604 282 C HN 1.881 nan 8.230 nan 0.000 0.437 283 V N -1.783 118.191 119.914 0.100 0.000 2.950 283 V HA 0.735 4.855 4.120 -0.000 0.000 0.295 283 V C -1.921 174.202 176.094 0.048 0.000 1.297 283 V CA -0.241 62.016 62.300 -0.072 0.000 0.962 283 V CB 2.020 33.618 31.823 -0.376 0.000 1.081 283 V HN 0.997 nan 8.190 nan 0.000 0.432 284 D N 3.983 124.416 120.400 0.056 0.000 2.405 284 D HA 0.446 5.086 4.640 -0.000 0.000 0.264 284 D C -0.715 175.629 176.300 0.072 0.000 1.240 284 D CA -0.063 54.067 54.000 0.217 0.000 0.893 284 D CB 2.009 42.937 40.800 0.213 0.000 1.198 284 D HN 0.504 nan 8.370 nan 0.000 0.514 285 I N 1.493 122.007 120.570 -0.093 0.000 2.441 285 I HA 0.110 4.280 4.170 -0.000 0.000 0.287 285 I C 1.753 177.806 176.117 -0.106 0.000 1.049 285 I CA 0.060 61.273 61.300 -0.145 0.000 1.381 285 I CB 0.968 38.828 38.000 -0.233 0.000 1.409 285 I HN 0.197 nan 8.210 nan 0.000 0.523 286 M N 3.510 123.095 119.600 -0.024 0.000 2.367 286 M HA 0.363 4.843 4.480 -0.000 0.000 0.256 286 M C 0.793 177.044 176.300 -0.081 0.000 1.091 286 M CA 0.238 55.538 55.300 -0.001 0.000 1.049 286 M CB -0.154 32.459 32.600 0.022 0.000 1.406 286 M HN 0.877 nan 8.290 nan 0.000 0.498 287 G N 0.863 109.583 108.800 -0.133 0.000 2.331 287 G HA2 0.005 3.965 3.960 -0.000 0.000 0.479 287 G HA3 0.005 3.965 3.960 -0.000 0.000 0.479 287 G C -2.244 172.483 174.900 -0.287 0.000 1.262 287 G CA -0.759 44.065 45.100 -0.461 0.000 1.029 287 G HN 0.325 nan 8.290 nan 0.000 0.487 288 W N -0.419 121.020 121.300 0.232 0.000 2.781 288 W HA 0.875 5.535 4.660 0.000 0.000 0.345 288 W C 0.066 176.692 176.519 0.178 0.000 1.085 288 W CA -1.917 55.558 57.345 0.217 0.000 1.198 288 W CB 0.983 30.436 29.460 -0.011 0.000 1.423 288 W HN 0.708 nan 8.180 nan 0.000 0.532 289 R N 1.477 122.257 120.500 0.466 0.000 2.349 289 R HA 0.636 4.976 4.340 -0.000 0.000 0.299 289 R C -1.527 174.781 176.300 0.014 0.000 1.027 289 R CA -0.556 55.692 56.100 0.247 0.000 0.958 289 R CB 1.180 31.634 30.300 0.255 0.000 1.047 289 R HN 0.566 nan 8.270 nan 0.000 0.468 290 V N 3.285 123.142 119.914 -0.095 0.000 2.350 290 V HA 0.217 4.337 4.120 -0.000 0.000 0.285 290 V C 0.255 176.197 176.094 -0.252 0.000 1.014 290 V CA -1.049 61.050 62.300 -0.334 0.000 0.831 290 V CB 1.026 32.578 31.823 -0.452 0.000 1.000 290 V HN 0.972 nan 8.190 nan 0.000 0.433 291 T N 1.944 116.320 114.554 -0.295 0.000 2.939 291 T HA 0.099 4.449 4.350 -0.000 0.000 0.319 291 T C 0.377 175.012 174.700 -0.109 0.000 1.082 291 T CA -0.402 61.607 62.100 -0.152 0.000 1.133 291 T CB 0.734 69.530 68.868 -0.120 0.000 1.019 291 T HN 0.610 nan 8.240 nan 0.000 0.548 292 R N 3.246 123.724 120.500 -0.037 0.000 2.296 292 R HA 0.232 4.572 4.340 -0.000 0.000 0.327 292 R C 0.070 176.259 176.300 -0.185 0.000 1.137 292 R CA -0.051 56.000 56.100 -0.082 0.000 1.020 292 R CB -0.914 29.401 30.300 0.025 0.000 1.110 292 R HN 0.986 nan 8.270 nan 0.000 0.499 293 N N 2.391 120.975 118.700 -0.193 0.000 2.556 293 N HA -0.065 4.675 4.740 -0.000 0.000 0.322 293 N C -1.079 174.255 175.510 -0.294 0.000 1.326 293 N CA -0.185 52.731 53.050 -0.223 0.000 1.725 293 N CB 0.214 38.640 38.487 -0.101 0.000 1.235 293 N HN 0.173 nan 8.380 nan 0.000 1.546 294 Y N 1.459 121.692 120.300 -0.111 0.000 2.679 294 Y HA 0.401 4.951 4.550 -0.000 0.000 0.331 294 Y C -0.405 175.410 175.900 -0.140 0.000 1.183 294 Y CA -0.079 57.958 58.100 -0.105 0.000 1.290 294 Y CB 0.553 38.962 38.460 -0.085 0.000 1.489 294 Y HN 0.238 nan 8.280 nan 0.000 0.583 295 D N 0.768 121.247 120.400 0.133 0.000 2.564 295 D HA 0.309 4.949 4.640 -0.000 0.000 0.226 295 D C -1.302 174.948 176.300 -0.084 0.000 1.149 295 D CA 0.219 54.180 54.000 -0.066 0.000 0.994 295 D CB -0.029 40.750 40.800 -0.035 0.000 1.029 295 D HN 0.082 nan 8.370 nan 0.000 0.517 296 V N 2.082 121.905 119.914 -0.152 0.000 2.328 296 V HA 0.344 4.464 4.120 -0.000 0.000 0.278 296 V C 0.193 176.090 176.094 -0.329 0.000 1.021 296 V CA -0.874 61.344 62.300 -0.136 0.000 0.838 296 V CB 0.586 32.344 31.823 -0.108 0.000 0.999 296 V HN 0.331 nan 8.190 nan 0.000 0.447 297 H N 3.311 122.133 119.070 -0.413 0.000 2.497 297 H HA 0.841 5.397 4.556 -0.000 0.000 0.331 297 H C -0.124 174.969 175.328 -0.391 0.000 1.457 297 H CA -0.531 55.248 56.048 -0.448 0.000 1.459 297 H CB 0.738 30.119 29.762 -0.636 0.000 1.728 297 H HN 1.006 nan 8.280 nan 0.000 0.691 298 H N -3.016 116.169 119.070 0.192 0.000 4.908 298 H HA 0.063 4.619 4.556 -0.000 0.000 0.713 298 H C -1.362 174.303 175.328 0.563 0.000 1.958 298 H CA -1.164 55.039 56.048 0.259 0.000 1.608 298 H CB -1.424 28.426 29.762 0.145 0.000 3.539 298 H HN 0.541 nan 8.280 nan 0.000 0.498 299 W N 2.155 123.856 121.300 0.668 0.000 2.680 299 W HA 0.021 4.681 4.660 0.000 0.000 0.335 299 W C 0.816 177.653 176.519 0.529 0.000 1.149 299 W CA 0.724 58.358 57.345 0.482 0.000 1.399 299 W CB 0.329 29.965 29.460 0.294 0.000 1.198 299 W HN 0.747 nan 8.180 nan 0.000 0.589 300 R N 0.360 121.161 120.500 0.502 0.000 2.725 300 R HA 0.659 4.999 4.340 -0.000 0.000 0.277 300 R C -0.379 175.898 176.300 -0.039 0.000 0.987 300 R CA -0.394 55.739 56.100 0.055 0.000 0.901 300 R CB 1.710 31.941 30.300 -0.114 0.000 1.207 300 R HN 0.558 nan 8.270 nan 0.000 0.463 301 G N 2.787 111.480 108.800 -0.179 0.000 2.605 301 G HA2 0.638 4.598 3.960 -0.000 0.000 0.296 301 G HA3 0.638 4.598 3.960 -0.000 0.000 0.296 301 G C -1.535 173.257 174.900 -0.180 0.000 1.304 301 G CA -0.726 44.297 45.100 -0.128 0.000 0.941 301 G HN 0.410 nan 8.290 nan 0.000 0.475 302 L N 0.995 122.150 121.223 -0.113 0.000 2.301 302 L HA 0.594 4.934 4.340 -0.000 0.000 0.264 302 L C -2.061 174.770 176.870 -0.064 0.000 1.016 302 L CA -2.169 52.597 54.840 -0.124 0.000 0.821 302 L CB 3.144 45.121 42.059 -0.137 0.000 1.346 302 L HN 0.333 nan 8.230 nan 0.000 0.429 303 P HA 0.241 nan 4.420 nan 0.000 0.281 303 P C -1.595 175.747 177.300 0.069 0.000 1.249 303 P CA -0.608 62.532 63.100 0.067 0.000 0.810 303 P CB 1.580 33.338 31.700 0.097 0.000 1.008 304 R N 1.918 122.520 120.500 0.169 0.000 2.711 304 R HA 0.475 4.815 4.340 -0.000 0.000 0.284 304 R C -1.425 175.047 176.300 0.286 0.000 0.968 304 R CA -0.754 55.399 56.100 0.087 0.000 0.924 304 R CB 1.131 31.415 30.300 -0.027 0.000 1.162 304 R HN 0.520 nan 8.270 nan 0.000 0.465 305 Y N 3.164 123.415 120.300 -0.083 0.000 2.528 305 Y HA 0.646 5.196 4.550 -0.000 0.000 0.335 305 Y C -1.885 173.862 175.900 -0.255 0.000 1.093 305 Y CA -1.217 56.947 58.100 0.106 0.000 1.134 305 Y CB 1.369 39.874 38.460 0.075 0.000 1.253 305 Y HN 0.515 nan 8.280 nan 0.000 0.478 306 F N 2.923 122.579 119.950 -0.489 0.000 2.578 306 F HA 0.492 5.019 4.527 -0.000 0.000 0.311 306 F C -0.595 174.742 175.800 -0.772 0.000 1.094 306 F CA -1.126 56.590 58.000 -0.474 0.000 0.923 306 F CB 2.310 41.188 39.000 -0.204 0.000 1.230 306 F HN 0.399 nan 8.300 nan 0.000 0.450 307 K N 3.951 124.205 120.400 -0.245 0.000 2.675 307 K HA 0.500 4.820 4.320 -0.000 0.000 0.224 307 K C -1.629 174.953 176.600 -0.030 0.000 1.003 307 K CA -0.437 55.738 56.287 -0.186 0.000 1.034 307 K CB 0.682 33.123 32.500 -0.099 0.000 1.218 307 K HN 0.539 nan 8.250 nan 0.000 0.507 308 I N 2.359 122.912 120.570 -0.028 0.000 2.428 308 I HA 0.169 4.339 4.170 -0.000 0.000 0.289 308 I C 0.260 176.356 176.117 -0.035 0.000 1.019 308 I CA -0.027 61.269 61.300 -0.006 0.000 1.351 308 I CB 1.597 39.577 38.000 -0.032 0.000 1.412 308 I HN 0.344 nan 8.210 nan 0.000 0.513 309 T N 6.970 121.520 114.554 -0.007 0.000 2.786 309 T HA 0.794 5.144 4.350 -0.000 0.000 0.283 309 T C -0.490 174.207 174.700 -0.005 0.000 0.992 309 T CA -0.622 61.472 62.100 -0.010 0.000 0.954 309 T CB 0.713 69.589 68.868 0.015 0.000 0.934 309 T HN 0.173 nan 8.240 nan 0.000 0.440 310 L N 2.631 123.836 121.223 -0.030 0.000 2.388 310 L HA 0.787 5.127 4.340 -0.000 0.000 0.264 310 L C 0.155 177.091 176.870 0.110 0.000 0.998 310 L CA -1.120 53.728 54.840 0.013 0.000 0.817 310 L CB 1.781 43.780 42.059 -0.100 0.000 1.338 310 L HN 0.702 nan 8.230 nan 0.000 0.414 311 R N -0.054 120.566 120.500 0.199 0.000 2.950 311 R HA 0.765 5.105 4.340 -0.000 0.000 0.253 311 R C -1.179 175.260 176.300 0.231 0.000 1.168 311 R CA -1.084 55.144 56.100 0.214 0.000 1.014 311 R CB 1.508 31.866 30.300 0.096 0.000 1.228 311 R HN 0.411 nan 8.270 nan 0.000 0.487 312 K N 1.094 121.503 120.400 0.016 0.000 2.240 312 K HA 0.337 4.657 4.320 -0.000 0.000 0.271 312 K C -0.582 175.841 176.600 -0.295 0.000 1.018 312 K CA -0.680 55.450 56.287 -0.262 0.000 0.874 312 K CB 1.767 34.014 32.500 -0.423 0.000 1.098 312 K HN 0.378 nan 8.250 nan 0.000 0.458 313 R N 2.705 123.012 120.500 -0.322 0.000 2.686 313 R HA 0.270 4.610 4.340 -0.000 0.000 0.286 313 R C -1.240 174.880 176.300 -0.300 0.000 0.969 313 R CA -0.719 55.226 56.100 -0.258 0.000 0.898 313 R CB 1.180 31.445 30.300 -0.059 0.000 1.183 313 R HN 0.612 nan 8.270 nan 0.000 0.456 314 W N 4.279 125.548 121.300 -0.052 0.000 2.266 314 W HA 0.324 4.984 4.660 0.000 0.000 0.317 314 W C 0.212 176.700 176.519 -0.051 0.000 1.310 314 W CA -0.284 57.027 57.345 -0.057 0.000 1.207 314 W CB 1.249 30.682 29.460 -0.045 0.000 1.199 314 W HN 0.268 nan 8.180 nan 0.000 0.544 315 V N 0.032 120.121 119.914 0.292 0.000 3.206 315 V HA 0.532 4.652 4.120 -0.000 0.000 0.305 315 V C -0.725 175.421 176.094 0.087 0.000 1.257 315 V CA -2.052 60.322 62.300 0.122 0.000 1.057 315 V CB 1.679 33.526 31.823 0.041 0.000 1.075 315 V HN 0.404 nan 8.190 nan 0.000 0.443 316 K N 1.990 122.406 120.400 0.025 0.000 2.185 316 K HA 0.290 4.610 4.320 -0.000 0.000 0.271 316 K C 0.230 176.811 176.600 -0.031 0.000 1.013 316 K CA -0.393 55.893 56.287 -0.001 0.000 0.943 316 K CB 0.508 33.001 32.500 -0.011 0.000 0.998 316 K HN 0.832 nan 8.250 nan 0.000 0.468 317 N N 3.278 121.955 118.700 -0.037 0.000 2.412 317 N HA -0.034 4.706 4.740 -0.000 0.000 0.254 317 N C -1.652 173.789 175.510 -0.115 0.000 1.232 317 N CA -0.681 52.316 53.050 -0.088 0.000 0.880 317 N CB 0.821 39.286 38.487 -0.037 0.000 1.076 317 N HN 0.423 nan 8.380 nan 0.000 0.458 318 P HA 0.092 nan 4.420 nan 0.000 0.244 318 P C -0.624 176.666 177.300 -0.017 0.000 1.191 318 P CA 0.386 63.367 63.100 -0.198 0.000 0.829 318 P CB 0.343 31.835 31.700 -0.348 0.000 1.008 319 Y N 2.736 123.047 120.300 0.018 0.000 2.425 319 Y HA 0.388 4.938 4.550 -0.000 0.000 0.347 319 Y C -2.150 173.759 175.900 0.016 0.000 0.976 319 Y CA -4.160 53.950 58.100 0.016 0.000 1.190 319 Y CB -0.042 38.427 38.460 0.015 0.000 1.136 319 Y HN 0.002 nan 8.280 nan 0.000 0.517 320 P HA 0.223 nan 4.420 nan 0.000 0.285 320 P C 0.257 177.607 177.300 0.084 0.000 1.448 320 P CA -0.633 62.528 63.100 0.103 0.000 0.953 320 P CB 1.091 32.839 31.700 0.079 0.000 1.175 321 M N 2.211 121.856 119.600 0.075 0.000 2.331 321 M HA -0.197 4.283 4.480 -0.000 0.000 0.260 321 M C 1.914 178.236 176.300 0.038 0.000 1.072 321 M CA 1.674 57.002 55.300 0.046 0.000 1.065 321 M CB -1.449 31.174 32.600 0.039 0.000 1.392 321 M HN 0.413 nan 8.290 nan 0.000 0.427 322 A N -1.012 121.839 122.820 0.052 0.000 1.859 322 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 322 A C 2.362 179.986 177.584 0.067 0.000 1.198 322 A CA 2.486 54.563 52.037 0.066 0.000 0.629 322 A CB -1.441 17.602 19.000 0.072 0.000 0.830 322 A HN 0.479 nan 8.150 nan 0.000 0.446 323 S N -0.381 115.355 115.700 0.060 0.000 2.378 323 S HA -0.231 4.239 4.470 -0.000 0.000 0.229 323 S C 1.956 176.577 174.600 0.034 0.000 1.052 323 S CA 1.901 60.132 58.200 0.052 0.000 1.084 323 S CB -0.706 62.520 63.200 0.044 0.000 0.950 323 S HN 0.451 nan 8.310 nan 0.000 0.440 324 L N 0.106 121.337 121.223 0.014 0.000 1.963 324 L HA -0.159 4.181 4.340 -0.000 0.000 0.220 324 L C 2.515 179.376 176.870 -0.016 0.000 1.076 324 L CA 1.725 56.558 54.840 -0.011 0.000 0.772 324 L CB -0.593 41.454 42.059 -0.021 0.000 0.892 324 L HN 0.349 nan 8.230 nan 0.000 0.435 325 I N -0.835 119.724 120.570 -0.019 0.000 2.614 325 I HA -0.200 3.970 4.170 -0.000 0.000 0.258 325 I C 2.205 178.278 176.117 -0.074 0.000 1.189 325 I CA 1.262 62.523 61.300 -0.065 0.000 1.462 325 I CB -0.070 37.891 38.000 -0.065 0.000 1.092 325 I HN 0.084 nan 8.210 nan 0.000 0.442 326 S N -1.471 114.264 115.700 0.058 0.000 2.575 326 S HA 0.023 4.493 4.470 -0.000 0.000 0.215 326 S C 1.996 176.686 174.600 0.149 0.000 0.966 326 S CA 0.685 59.014 58.200 0.215 0.000 0.911 326 S CB -0.030 63.332 63.200 0.270 0.000 0.780 326 S HN 0.463 nan 8.310 nan 0.000 0.514 327 S N 1.741 117.477 115.700 0.059 0.000 2.368 327 S HA -0.001 4.469 4.470 -0.000 0.000 0.224 327 S C 1.563 176.184 174.600 0.035 0.000 1.029 327 S CA 0.847 59.070 58.200 0.039 0.000 0.988 327 S CB -0.215 62.989 63.200 0.007 0.000 0.838 327 S HN 0.317 nan 8.310 nan 0.000 0.462 328 L N 0.785 122.001 121.223 -0.013 0.000 2.456 328 L HA 0.136 4.476 4.340 -0.000 0.000 0.224 328 L C 1.736 178.580 176.870 -0.044 0.000 1.148 328 L CA 1.119 55.923 54.840 -0.061 0.000 0.825 328 L CB -0.923 41.054 42.059 -0.136 0.000 0.937 328 L HN 0.314 nan 8.230 nan 0.000 0.450 329 F N -0.398 119.551 119.950 -0.003 0.000 2.219 329 F HA -0.033 4.494 4.527 -0.000 0.000 0.294 329 F C 2.185 177.983 175.800 -0.002 0.000 1.086 329 F CA 0.778 58.776 58.000 -0.002 0.000 1.330 329 F CB -0.582 38.418 39.000 -0.001 0.000 1.047 329 F HN 0.163 nan 8.300 nan 0.000 0.495 330 N N -0.162 118.661 118.700 0.205 0.000 2.575 330 N HA -0.067 4.673 4.740 -0.000 0.000 0.192 330 N C 0.271 175.826 175.510 0.077 0.000 1.200 330 N CA 0.412 53.528 53.050 0.109 0.000 0.897 330 N CB -0.398 38.132 38.487 0.072 0.000 0.990 330 N HN 0.295 nan 8.380 nan 0.000 0.449 331 N N -1.037 117.711 118.700 0.079 0.000 2.177 331 N HA 0.117 4.857 4.740 -0.000 0.000 0.218 331 N C 0.188 175.728 175.510 0.049 0.000 1.182 331 N CA -0.122 52.955 53.050 0.045 0.000 0.882 331 N CB 0.499 38.999 38.487 0.022 0.000 1.052 331 N HN 0.161 nan 8.380 nan 0.000 0.519 332 M N 0.693 120.345 119.600 0.087 0.000 2.428 332 M HA 0.302 4.782 4.480 -0.000 0.000 0.239 332 M C -0.442 175.900 176.300 0.070 0.000 1.121 332 M CA 0.321 55.677 55.300 0.093 0.000 1.019 332 M CB -0.942 31.769 32.600 0.184 0.000 1.485 332 M HN 0.093 nan 8.290 nan 0.000 0.484 333 L N -2.727 118.531 121.223 0.058 0.000 2.622 333 L HA 0.787 5.127 4.340 -0.000 0.000 0.258 333 L C -3.096 173.792 176.870 0.030 0.000 0.996 333 L CA -1.536 53.327 54.840 0.038 0.000 0.858 333 L CB 1.171 43.250 42.059 0.033 0.000 1.449 333 L HN -0.259 nan 8.230 nan 0.000 0.411 334 P HA 0.251 nan 4.420 nan 0.000 0.302 334 P C -1.220 176.089 177.300 0.014 0.000 1.307 334 P CA -0.261 62.849 63.100 0.016 0.000 0.754 334 P CB 0.614 32.321 31.700 0.012 0.000 1.298 335 Q N 0.098 119.904 119.800 0.011 0.000 2.296 335 Q HA 0.371 4.711 4.340 -0.000 0.000 0.257 335 Q C -0.589 175.415 176.000 0.007 0.000 0.942 335 Q CA -0.424 55.384 55.803 0.009 0.000 0.939 335 Q CB 0.938 29.681 28.738 0.009 0.000 1.198 335 Q HN 0.220 nan 8.270 nan 0.000 0.429 336 V N 1.266 121.184 119.914 0.006 0.000 2.495 336 V HA 0.365 4.485 4.120 -0.000 0.000 0.298 336 V C 0.314 176.410 176.094 0.003 0.000 1.031 336 V CA -0.685 61.617 62.300 0.003 0.000 0.871 336 V CB 1.686 33.510 31.823 0.002 0.000 0.988 336 V HN 0.620 nan 8.190 nan 0.000 0.432 337 Q N 3.689 123.491 119.800 0.002 0.000 2.252 337 Q HA 0.543 4.883 4.340 -0.000 0.000 0.195 337 Q C 1.216 177.217 176.000 0.001 0.000 0.974 337 Q CA 0.799 56.603 55.803 0.002 0.000 0.846 337 Q CB -0.258 28.482 28.738 0.003 0.000 0.943 337 Q HN 1.596 nan 8.270 nan 0.000 0.516 338 G N 0.993 109.794 108.800 0.001 0.000 2.825 338 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.684 338 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.684 338 G C -0.914 173.986 174.900 -0.000 0.000 1.528 338 G CA -0.433 44.666 45.100 -0.000 0.000 0.963 338 G HN 0.235 nan 8.290 nan 0.000 0.577 339 Q N 1.148 120.948 119.800 -0.001 0.000 2.379 339 Q HA 0.110 4.450 4.340 -0.000 0.000 0.320 339 Q C -1.472 174.527 176.000 -0.001 0.000 1.153 339 Q CA 0.380 56.183 55.803 -0.001 0.000 0.993 339 Q CB 0.244 28.981 28.738 -0.001 0.000 1.265 339 Q HN 0.571 nan 8.270 nan 0.000 0.423 340 P HA -0.009 nan 4.420 nan 0.000 0.269 340 P C -0.734 176.566 177.300 -0.001 0.000 1.252 340 P CA 0.323 63.423 63.100 -0.000 0.000 0.780 340 P CB 0.512 32.213 31.700 0.001 0.000 0.829 341 M N 2.806 122.405 119.600 -0.001 0.000 2.959 341 M HA 0.274 4.754 4.480 -0.000 0.000 0.337 341 M C 0.132 176.431 176.300 -0.002 0.000 1.220 341 M CA -0.120 55.179 55.300 -0.002 0.000 0.893 341 M CB -0.535 32.063 32.600 -0.004 0.000 1.322 341 M HN 0.518 nan 8.290 nan 0.000 0.519 342 E N -1.238 118.961 120.200 -0.001 0.000 2.532 342 E HA 0.456 4.806 4.350 -0.000 0.000 0.289 342 E C -0.618 175.983 176.600 0.001 0.000 1.165 342 E CA 0.309 56.709 56.400 0.000 0.000 0.926 342 E CB 0.643 30.343 29.700 0.000 0.000 1.164 342 E HN 0.383 nan 8.360 nan 0.000 0.436 343 G N 2.733 111.535 108.800 0.002 0.000 2.255 343 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 343 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 343 G C -0.176 174.725 174.900 0.003 0.000 1.307 343 G CA 0.028 45.130 45.100 0.003 0.000 1.162 343 G HN 0.482 nan 8.290 nan 0.000 0.494 344 E N 0.409 120.611 120.200 0.003 0.000 2.498 344 E HA 0.192 4.542 4.350 -0.000 0.000 0.203 344 E C 0.383 176.984 176.600 0.002 0.000 1.013 344 E CA 0.149 56.550 56.400 0.003 0.000 0.927 344 E CB 0.195 29.897 29.700 0.004 0.000 1.012 344 E HN 0.326 nan 8.360 nan 0.000 0.482 345 N N -0.000 118.701 118.700 0.002 0.000 2.377 345 N HA 0.041 4.781 4.740 -0.000 0.000 0.259 345 N C -1.089 174.421 175.510 0.000 0.000 1.332 345 N CA -0.103 52.947 53.050 0.001 0.000 0.877 345 N CB 1.241 39.729 38.487 0.002 0.000 1.299 345 N HN -0.154 nan 8.380 nan 0.000 0.501 346 T N 1.036 115.590 114.554 -0.000 0.000 2.905 346 T HA -0.051 4.299 4.350 -0.000 0.000 0.299 346 T C 0.934 175.633 174.700 -0.001 0.000 1.024 346 T CA 0.435 62.535 62.100 -0.001 0.000 1.151 346 T CB 0.595 69.462 68.868 -0.001 0.000 0.987 346 T HN 0.262 nan 8.240 nan 0.000 0.535 347 Q N 1.145 120.944 119.800 -0.002 0.000 2.217 347 Q HA 0.207 4.547 4.340 -0.000 0.000 0.226 347 Q C -0.327 175.672 176.000 -0.002 0.000 0.875 347 Q CA -0.177 55.624 55.803 -0.002 0.000 0.974 347 Q CB 0.380 29.117 28.738 -0.002 0.000 1.079 347 Q HN 0.402 nan 8.270 nan 0.000 0.463 348 V N 2.048 121.960 119.914 -0.002 0.000 2.334 348 V HA 0.034 4.154 4.120 -0.000 0.000 0.267 348 V C 1.084 177.176 176.094 -0.002 0.000 1.040 348 V CA 0.073 62.371 62.300 -0.002 0.000 0.866 348 V CB 1.037 32.859 31.823 -0.002 0.000 1.019 348 V HN 0.350 nan 8.190 nan 0.000 0.468 349 E N 2.957 123.156 120.200 -0.002 0.000 2.216 349 E HA 0.052 4.402 4.350 -0.000 0.000 0.192 349 E C 0.521 177.119 176.600 -0.003 0.000 0.988 349 E CA 0.518 56.916 56.400 -0.003 0.000 0.834 349 E CB 0.574 30.273 29.700 -0.003 0.000 0.772 349 E HN 0.620 nan 8.360 nan 0.000 0.479 350 E N -0.391 119.809 120.200 -0.000 0.000 2.419 350 E HA 0.209 4.559 4.350 -0.000 0.000 0.285 350 E C -1.845 174.761 176.600 0.010 0.000 1.079 350 E CA -0.241 56.160 56.400 0.002 0.000 0.864 350 E CB 2.183 31.884 29.700 0.002 0.000 1.216 350 E HN -0.157 nan 8.360 nan 0.000 0.428 351 V N 3.422 123.343 119.914 0.012 0.000 2.686 351 V HA 0.661 4.781 4.120 -0.000 0.000 0.306 351 V C -0.485 175.632 176.094 0.038 0.000 1.065 351 V CA -0.745 61.571 62.300 0.026 0.000 0.894 351 V CB 2.047 33.880 31.823 0.016 0.000 1.004 351 V HN 0.635 nan 8.190 nan 0.000 0.424 352 R N 3.110 123.664 120.500 0.091 0.000 2.740 352 R HA 0.920 5.260 4.340 -0.000 0.000 0.273 352 R C -2.076 174.356 176.300 0.221 0.000 0.998 352 R CA -0.751 55.413 56.100 0.107 0.000 0.900 352 R CB 2.190 32.539 30.300 0.082 0.000 1.223 352 R HN 0.334 nan 8.270 nan 0.000 0.466 353 V N 1.906 121.904 119.914 0.141 0.000 2.735 353 V HA 0.539 4.659 4.120 -0.000 0.000 0.310 353 V C -1.364 174.861 176.094 0.220 0.000 1.061 353 V CA -0.785 61.655 62.300 0.233 0.000 0.913 353 V CB 1.616 33.495 31.823 0.092 0.000 1.005 353 V HN 0.622 nan 8.190 nan 0.000 0.428 354 Y N 1.463 121.755 120.300 -0.013 0.000 2.545 354 Y HA 0.643 5.193 4.550 -0.000 0.000 0.348 354 Y C 0.385 176.279 175.900 -0.010 0.000 1.002 354 Y CA -1.441 56.653 58.100 -0.011 0.000 1.039 354 Y CB 2.079 40.533 38.460 -0.011 0.000 1.271 354 Y HN 0.713 nan 8.280 nan 0.000 0.467 355 D N -0.433 120.057 120.400 0.150 0.000 2.259 355 D HA 0.186 4.826 4.640 -0.000 0.000 0.301 355 D C 1.138 177.477 176.300 0.065 0.000 1.149 355 D CA 0.787 54.837 54.000 0.084 0.000 1.012 355 D CB 0.237 41.066 40.800 0.049 0.000 1.797 355 D HN 0.739 nan 8.370 nan 0.000 0.513 356 G N -0.878 107.955 108.800 0.054 0.000 2.666 356 G HA2 0.502 4.462 3.960 -0.000 0.000 0.207 356 G HA3 0.502 4.462 3.960 -0.000 0.000 0.207 356 G C -0.626 174.304 174.900 0.049 0.000 1.481 356 G CA 0.143 45.267 45.100 0.039 0.000 1.071 356 G HN 0.131 nan 8.290 nan 0.000 0.572 357 T N 0.523 115.097 114.554 0.034 0.000 3.483 357 T HA 0.402 4.752 4.350 -0.000 0.000 0.329 357 T C -0.921 173.792 174.700 0.022 0.000 1.014 357 T CA -0.502 61.619 62.100 0.035 0.000 1.056 357 T CB 1.382 70.267 68.868 0.029 0.000 1.090 357 T HN 0.723 nan 8.240 nan 0.000 0.460 358 E N 3.057 123.270 120.200 0.022 0.000 2.281 358 E HA 0.782 5.132 4.350 -0.000 0.000 0.262 358 E C -2.760 173.849 176.600 0.015 0.000 0.933 358 E CA -2.255 54.152 56.400 0.012 0.000 0.809 358 E CB 0.967 30.668 29.700 0.002 0.000 1.242 358 E HN 0.189 nan 8.360 nan 0.000 0.418 359 P HA 0.092 nan 4.420 nan 0.000 0.274 359 P C -0.889 176.418 177.300 0.012 0.000 1.246 359 P CA -0.618 62.489 63.100 0.012 0.000 0.795 359 P CB 0.581 32.286 31.700 0.009 0.000 1.006 360 V N 1.415 121.338 119.914 0.014 0.000 2.540 360 V HA 0.145 4.265 4.120 -0.000 0.000 0.297 360 V C -1.329 174.771 176.094 0.011 0.000 1.024 360 V CA -0.948 61.361 62.300 0.015 0.000 1.105 360 V CB -0.825 31.007 31.823 0.015 0.000 0.938 360 V HN 0.601 nan 8.190 nan 0.000 0.482 361 P HA 0.448 nan 4.420 nan 0.000 0.279 361 P C 0.407 177.713 177.300 0.010 0.000 1.276 361 P CA -0.168 62.936 63.100 0.006 0.000 0.801 361 P CB 1.500 33.200 31.700 -0.001 0.000 1.127 362 G N -0.304 108.504 108.800 0.012 0.000 3.372 362 G HA2 0.037 3.997 3.960 -0.000 0.000 0.178 362 G HA3 0.037 3.997 3.960 -0.000 0.000 0.178 362 G C -0.351 174.557 174.900 0.014 0.000 1.817 362 G CA 0.013 45.123 45.100 0.015 0.000 0.996 362 G HN 0.555 nan 8.290 nan 0.000 0.559 363 D N 1.740 122.150 120.400 0.018 0.000 2.357 363 D HA 0.135 4.775 4.640 -0.000 0.000 0.265 363 D C -0.883 175.418 176.300 0.001 0.000 1.334 363 D CA -1.680 52.327 54.000 0.012 0.000 0.984 363 D CB 1.261 42.074 40.800 0.021 0.000 1.077 363 D HN 0.008 nan 8.370 nan 0.000 0.514 364 P HA -0.023 nan 4.420 nan 0.000 0.233 364 P C -0.255 177.017 177.300 -0.047 0.000 1.167 364 P CA 0.343 63.427 63.100 -0.027 0.000 0.770 364 P CB 0.458 32.143 31.700 -0.026 0.000 0.837 365 D N 0.051 120.426 120.400 -0.041 0.000 3.072 365 D HA 0.167 4.807 4.640 -0.000 0.000 0.250 365 D C 0.288 176.546 176.300 -0.070 0.000 1.304 365 D CA -0.252 53.712 54.000 -0.060 0.000 0.861 365 D CB -0.626 40.145 40.800 -0.048 0.000 1.062 365 D HN -0.016 nan 8.370 nan 0.000 0.481 366 M N 1.402 120.963 119.600 -0.065 0.000 2.248 366 M HA 0.053 4.533 4.480 -0.000 0.000 0.345 366 M C 0.293 176.510 176.300 -0.140 0.000 1.243 366 M CA -0.402 54.856 55.300 -0.070 0.000 1.090 366 M CB 0.386 32.972 32.600 -0.023 0.000 1.683 366 M HN 0.118 nan 8.290 nan 0.000 0.450 367 T N 2.412 116.829 114.554 -0.228 0.000 2.961 367 T HA 0.201 4.551 4.350 -0.000 0.000 0.270 367 T C 0.977 175.505 174.700 -0.286 0.000 0.926 367 T CA -0.546 61.360 62.100 -0.324 0.000 1.112 367 T CB -0.294 68.256 68.868 -0.529 0.000 0.926 367 T HN 0.673 nan 8.240 nan 0.000 0.612 368 R N 1.428 121.822 120.500 -0.176 0.000 2.293 368 R HA 0.068 4.408 4.340 -0.000 0.000 0.219 368 R C -0.185 176.213 176.300 0.162 0.000 1.091 368 R CA 0.435 56.507 56.100 -0.046 0.000 1.004 368 R CB -0.519 29.725 30.300 -0.094 0.000 0.865 368 R HN 0.654 nan 8.270 nan 0.000 0.469 369 Y N -0.724 119.491 120.300 -0.142 0.000 2.323 369 Y HA 0.105 4.655 4.550 -0.000 0.000 0.331 369 Y C 1.649 177.472 175.900 -0.127 0.000 1.092 369 Y CA -1.691 56.349 58.100 -0.100 0.000 1.150 369 Y CB 1.247 39.654 38.460 -0.089 0.000 1.200 369 Y HN -0.320 nan 8.280 nan 0.000 0.472 370 V N 1.554 121.533 119.914 0.109 0.000 2.343 370 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 370 V C 1.641 177.845 176.094 0.183 0.000 1.051 370 V CA 2.175 64.587 62.300 0.186 0.000 1.036 370 V CB -0.504 31.406 31.823 0.144 0.000 0.654 370 V HN 0.780 nan 8.190 nan 0.000 0.451 371 D N 0.348 120.796 120.400 0.080 0.000 2.310 371 D HA -0.178 4.462 4.640 -0.000 0.000 0.212 371 D C 1.994 178.329 176.300 0.059 0.000 0.965 371 D CA 0.624 54.667 54.000 0.072 0.000 0.879 371 D CB -0.483 40.333 40.800 0.027 0.000 0.921 371 D HN 0.288 nan 8.370 nan 0.000 0.510 372 R N -0.163 120.333 120.500 -0.007 0.000 2.193 372 R HA 0.021 4.361 4.340 -0.000 0.000 0.229 372 R C 0.576 176.846 176.300 -0.050 0.000 1.110 372 R CA 0.146 56.204 56.100 -0.070 0.000 0.988 372 R CB -0.953 29.239 30.300 -0.180 0.000 0.871 372 R HN 0.255 nan 8.270 nan 0.000 0.458 373 F N 0.000 119.971 119.950 0.035 0.000 2.286 373 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 373 F CA 0.000 58.014 58.000 0.023 0.000 1.383 373 F CB 0.000 39.013 39.000 0.022 0.000 1.145 373 F HN 0.000 nan 8.300 nan 0.000 0.574