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 3m30_1_A DATA FIRST_RESID 2 DATA SEQUENCE ADKLFINALK KKFEESPEEK KTTFYTLGGW KQSERKTEFV NAGKEVAAKR DATA SEQUENCE GIPQYNPDIG TPLGQRVLMP YQVSTTDTYV EGDDLHFVNN AAMQQMWDDI DATA SEQUENCE RRTVIVGLNH AHAVIEKRLG KEVTPETITH YLETVNHAMP GAAVVQEHMV DATA SEQUENCE ETHPALVADS YVKVFTGNDE IADEIDPAFV IDINKQFPED QAETLKAEVG DATA SEQUENCE DGIWQVVRIP TIVSRTCDGA TTSRWSAMQI GMSMISAYKQ AAGEAATGDF DATA SEQUENCE AYAAKXAEVI HMGTYLPVRX ARGENEPGGV PFGYLADICQ SSRVNYEDPV DATA SEQUENCE RVSLDVVATG AMLYDQIWLG SYMSGGVGFT QYATAAYTDN ILDDFTYFGK DATA SEQUENCE EYVEDKYGLC EAPNNMDTVL DVATEVTFYG LEQYEEYPAL LEDQFGGSXR DATA SEQUENCE AAVVAAAAGC STAFATGNAQ TGLSGWYLSM YLHKEQHSRL GFYXYDLQDQ DATA SEQUENCE XGASNVFSIR GDEGLPLELR GPNYPNYAMN VGHQGEYAGI SQAPHAARGD DATA SEQUENCE AFVFNPLVKI AFADDNLVFD FTNVRGEFAK GALREFEPAG ERALITPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.573 177.584 -0.019 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 3 D N 1.924 122.299 120.400 -0.042 0.000 2.478 3 D HA 0.220 4.875 4.640 0.023 0.000 0.234 3 D C 0.236 176.436 176.300 -0.166 0.000 1.154 3 D CA 0.469 54.417 54.000 -0.086 0.000 0.874 3 D CB 0.555 41.298 40.800 -0.094 0.000 1.198 3 D HN 0.325 nan 8.370 nan 0.000 0.455 4 K N 1.685 121.907 120.400 -0.298 0.000 2.397 4 K HA 0.045 4.379 4.320 0.023 0.000 0.265 4 K C 1.363 177.598 176.600 -0.608 0.000 0.982 4 K CA -0.080 55.877 56.287 -0.552 0.000 0.931 4 K CB 0.237 32.028 32.500 -1.181 0.000 0.943 4 K HN 0.384 nan 8.250 nan 0.000 0.501 5 L N 1.347 122.309 121.223 -0.435 0.000 2.362 5 L HA -0.106 4.248 4.340 0.023 0.000 0.219 5 L C 1.580 178.360 176.870 -0.151 0.000 1.134 5 L CA 0.908 55.629 54.840 -0.199 0.000 0.807 5 L CB -0.461 41.589 42.059 -0.015 0.000 0.927 5 L HN 0.548 nan 8.230 nan 0.000 0.447 6 F N -2.669 117.257 119.950 -0.041 0.000 2.765 6 F HA 0.190 4.730 4.527 0.022 0.000 0.302 6 F C 1.963 177.725 175.800 -0.062 0.000 1.111 6 F CA -0.389 57.577 58.000 -0.057 0.000 1.359 6 F CB -0.772 38.169 39.000 -0.098 0.000 1.097 6 F HN -0.164 nan 8.300 nan 0.000 0.577 7 I N 1.637 122.101 120.570 -0.177 0.000 2.179 7 I HA -0.265 3.919 4.170 0.023 0.000 0.242 7 I C 1.906 178.052 176.117 0.049 0.000 1.088 7 I CA 1.152 62.422 61.300 -0.051 0.000 1.357 7 I CB -1.232 36.670 38.000 -0.163 0.000 1.051 7 I HN 0.237 nan 8.210 nan 0.000 0.409 8 N N 1.385 120.110 118.700 0.042 0.000 2.104 8 N HA -0.150 4.604 4.740 0.023 0.000 0.190 8 N C 1.924 177.527 175.510 0.154 0.000 1.024 8 N CA 1.792 54.894 53.050 0.086 0.000 0.853 8 N CB -0.364 38.186 38.487 0.104 0.000 1.008 8 N HN 0.388 nan 8.380 nan 0.000 0.424 9 A N 1.263 124.213 122.820 0.216 0.000 1.902 9 A HA -0.042 4.292 4.320 0.023 0.000 0.217 9 A C 2.396 180.077 177.584 0.161 0.000 1.181 9 A CA 0.875 53.087 52.037 0.292 0.000 0.623 9 A CB -0.704 18.424 19.000 0.214 0.000 0.818 9 A HN 0.224 nan 8.150 nan 0.000 0.443 10 L N -0.687 120.632 121.223 0.160 0.000 2.046 10 L HA -0.223 4.131 4.340 0.023 0.000 0.208 10 L C 2.531 179.474 176.870 0.122 0.000 1.077 10 L CA 1.797 56.737 54.840 0.168 0.000 0.747 10 L CB -0.549 41.669 42.059 0.266 0.000 0.896 10 L HN 0.357 nan 8.230 nan 0.000 0.432 11 K N -0.070 120.389 120.400 0.097 0.000 2.097 11 K HA -0.139 4.195 4.320 0.023 0.000 0.206 11 K C 2.132 178.717 176.600 -0.024 0.000 1.049 11 K CA 0.961 57.281 56.287 0.056 0.000 0.933 11 K CB -0.048 32.474 32.500 0.038 0.000 0.717 11 K HN 0.151 nan 8.250 nan 0.000 0.442 12 K N 1.123 121.472 120.400 -0.085 0.000 2.288 12 K HA -0.055 4.279 4.320 0.023 0.000 0.201 12 K C 1.750 178.208 176.600 -0.237 0.000 1.048 12 K CA 0.990 57.148 56.287 -0.216 0.000 0.956 12 K CB 0.137 32.358 32.500 -0.465 0.000 0.746 12 K HN 0.160 nan 8.250 nan 0.000 0.461 13 K N -0.581 119.634 120.400 -0.308 0.000 2.116 13 K HA 0.016 4.350 4.320 0.023 0.000 0.203 13 K C 0.200 176.399 176.600 -0.669 0.000 1.052 13 K CA 0.797 56.704 56.287 -0.632 0.000 0.952 13 K CB 0.158 31.910 32.500 -1.246 0.000 0.729 13 K HN -0.088 nan 8.250 nan 0.000 0.446 14 F N -0.055 119.882 119.950 -0.020 0.000 2.588 14 F HA 0.244 4.785 4.527 0.023 0.000 0.314 14 F C 1.027 176.809 175.800 -0.029 0.000 1.069 14 F CA -1.186 56.799 58.000 -0.025 0.000 0.931 14 F CB 1.619 40.613 39.000 -0.010 0.000 1.260 14 F HN -0.212 nan 8.300 nan 0.000 0.465 15 E N 0.058 120.357 120.200 0.165 0.000 2.152 15 E HA -0.088 4.276 4.350 0.023 0.000 0.192 15 E C -0.194 176.444 176.600 0.063 0.000 0.983 15 E CA 0.787 57.228 56.400 0.068 0.000 0.818 15 E CB 0.108 29.824 29.700 0.027 0.000 0.758 15 E HN 0.566 nan 8.360 nan 0.000 0.467 16 E N 1.164 121.406 120.200 0.071 0.000 2.404 16 E HA 0.027 4.391 4.350 0.023 0.000 0.261 16 E C -0.131 176.517 176.600 0.081 0.000 1.074 16 E CA -0.175 56.247 56.400 0.038 0.000 0.917 16 E CB 0.714 30.401 29.700 -0.020 0.000 0.965 16 E HN 0.033 nan 8.360 nan 0.000 0.433 17 S N 2.208 117.946 115.700 0.064 0.000 2.576 17 S HA 0.085 4.569 4.470 0.023 0.000 0.272 17 S C -1.686 172.993 174.600 0.133 0.000 1.352 17 S CA -1.036 57.221 58.200 0.096 0.000 1.021 17 S CB 0.619 63.864 63.200 0.075 0.000 0.887 17 S HN 0.351 nan 8.310 nan 0.000 0.542 18 P HA 0.016 nan 4.420 nan 0.000 0.226 18 P C 0.490 177.965 177.300 0.292 0.000 1.153 18 P CA 0.874 64.144 63.100 0.283 0.000 0.777 18 P CB -0.065 31.849 31.700 0.358 0.000 0.794 19 E N -0.147 120.182 120.200 0.216 0.000 2.427 19 E HA -0.018 4.346 4.350 0.023 0.000 0.196 19 E C 0.468 177.069 176.600 0.003 0.000 1.028 19 E CA 0.259 56.694 56.400 0.057 0.000 0.864 19 E CB -0.512 29.185 29.700 -0.005 0.000 0.813 19 E HN 0.470 nan 8.360 nan 0.000 0.514 20 E N 0.923 121.130 120.200 0.012 0.000 2.384 20 E HA 0.025 4.389 4.350 0.023 0.000 0.266 20 E C 0.457 177.023 176.600 -0.056 0.000 1.012 20 E CA 0.134 56.516 56.400 -0.030 0.000 0.901 20 E CB 0.713 30.391 29.700 -0.037 0.000 0.967 20 E HN 0.085 nan 8.360 nan 0.000 0.435 21 K N 1.823 122.186 120.400 -0.062 0.000 2.361 21 K HA 0.063 4.397 4.320 0.023 0.000 0.196 21 K C 0.197 176.748 176.600 -0.082 0.000 1.039 21 K CA 0.687 56.934 56.287 -0.065 0.000 1.001 21 K CB 0.376 32.844 32.500 -0.053 0.000 0.795 21 K HN 0.239 nan 8.250 nan 0.000 0.495 22 K N -0.088 120.248 120.400 -0.106 0.000 2.443 22 K HA 0.352 4.686 4.320 0.023 0.000 0.251 22 K C -0.662 175.808 176.600 -0.217 0.000 0.972 22 K CA -0.544 55.659 56.287 -0.141 0.000 0.833 22 K CB 2.441 34.878 32.500 -0.105 0.000 1.317 22 K HN -0.198 nan 8.250 nan 0.000 0.441 23 T N -0.442 113.909 114.554 -0.338 0.000 2.681 23 T HA 0.491 4.855 4.350 0.023 0.000 0.296 23 T C -1.427 172.913 174.700 -0.601 0.000 1.157 23 T CA -0.373 61.439 62.100 -0.479 0.000 1.025 23 T CB 1.888 70.398 68.868 -0.597 0.000 1.441 23 T HN 0.499 nan 8.240 nan 0.000 0.504 24 T N 1.489 115.673 114.554 -0.617 0.000 2.893 24 T HA 0.761 5.125 4.350 0.023 0.000 0.293 24 T C -1.438 172.876 174.700 -0.643 0.000 1.027 24 T CA -0.291 61.499 62.100 -0.517 0.000 0.988 24 T CB 0.816 69.558 68.868 -0.210 0.000 1.043 24 T HN 0.363 nan 8.240 nan 0.000 0.461 25 F N 0.442 120.198 119.950 -0.325 0.000 2.631 25 F HA 0.558 5.099 4.527 0.023 0.000 0.350 25 F C 0.201 175.698 175.800 -0.506 0.000 1.080 25 F CA -1.213 56.408 58.000 -0.631 0.000 1.026 25 F CB 0.484 38.685 39.000 -1.332 0.000 1.347 25 F HN 0.689 nan 8.300 nan 0.000 0.501 26 Y N -1.967 118.456 120.300 0.205 0.000 4.936 26 Y HA -0.256 4.308 4.550 0.023 0.000 0.260 26 Y C 1.229 177.155 175.900 0.043 0.000 0.928 26 Y CA 0.664 58.819 58.100 0.092 0.000 1.869 26 Y CB -2.729 35.778 38.460 0.078 0.000 1.344 26 Y HN 0.589 nan 8.280 nan 0.000 0.521 27 T N -3.262 111.362 114.554 0.117 0.000 3.174 27 T HA 0.497 4.861 4.350 0.023 0.000 0.269 27 T C 0.811 175.520 174.700 0.015 0.000 1.017 27 T CA 0.046 62.182 62.100 0.059 0.000 0.899 27 T CB -0.276 68.612 68.868 0.032 0.000 1.077 27 T HN 0.389 nan 8.240 nan 0.000 0.552 28 L N 0.676 121.907 121.223 0.013 0.000 2.640 28 L HA 0.432 4.786 4.340 0.023 0.000 0.230 28 L C 1.804 178.641 176.870 -0.056 0.000 1.123 28 L CA 0.263 55.093 54.840 -0.017 0.000 0.900 28 L CB -0.079 41.980 42.059 0.000 0.000 1.146 28 L HN 0.602 nan 8.230 nan 0.000 0.484 29 G N 0.176 108.937 108.800 -0.064 0.000 2.147 29 G HA2 -0.170 3.804 3.960 0.023 0.000 0.244 29 G HA3 -0.170 3.804 3.960 0.023 0.000 0.244 29 G C 0.823 175.597 174.900 -0.209 0.000 1.005 29 G CA 0.246 45.259 45.100 -0.146 0.000 0.713 29 G HN 0.704 nan 8.290 nan 0.000 0.515 30 G N 0.181 108.932 108.800 -0.081 0.000 2.583 30 G HA2 -0.289 3.685 3.960 0.023 0.000 0.292 30 G HA3 -0.289 3.685 3.960 0.023 0.000 0.292 30 G C 1.345 176.245 174.900 0.000 0.000 1.203 30 G CA 1.636 46.717 45.100 -0.031 0.000 0.987 30 G HN 1.754 nan 8.290 nan 0.000 0.554 31 W N 0.811 122.137 121.300 0.043 0.000 2.421 31 W HA 0.090 4.763 4.660 0.023 0.000 0.270 31 W C 1.755 178.290 176.519 0.027 0.000 1.233 31 W CA 1.185 58.558 57.345 0.046 0.000 1.226 31 W CB -0.561 28.947 29.460 0.080 0.000 1.121 31 W HN 0.498 nan 8.180 nan 0.000 0.579 32 K N 1.442 121.487 120.400 -0.592 0.000 2.442 32 K HA -0.184 4.150 4.320 0.023 0.000 0.198 32 K C 2.266 178.756 176.600 -0.183 0.000 1.042 32 K CA 1.584 57.528 56.287 -0.572 0.000 0.958 32 K CB -0.235 31.782 32.500 -0.804 0.000 0.766 32 K HN 0.408 nan 8.250 nan 0.000 0.474 33 Q N 0.255 119.997 119.800 -0.097 0.000 2.369 33 Q HA -0.026 4.328 4.340 0.023 0.000 0.206 33 Q C 0.480 176.477 176.000 -0.006 0.000 0.963 33 Q CA 0.706 56.483 55.803 -0.043 0.000 0.894 33 Q CB 0.224 28.947 28.738 -0.024 0.000 0.965 33 Q HN -0.046 nan 8.270 nan 0.000 0.475 34 S N -0.012 115.712 115.700 0.041 0.000 2.449 34 S HA 0.104 4.588 4.470 0.023 0.000 0.310 34 S C 0.496 175.112 174.600 0.026 0.000 1.096 34 S CA -0.693 57.527 58.200 0.033 0.000 1.095 34 S CB 1.680 64.911 63.200 0.051 0.000 1.007 34 S HN 0.458 nan 8.310 nan 0.000 0.474 35 E N 3.746 123.939 120.200 -0.012 0.000 2.085 35 E HA -0.241 4.123 4.350 0.023 0.000 0.194 35 E C 1.837 178.379 176.600 -0.096 0.000 0.994 35 E CA 1.223 57.607 56.400 -0.027 0.000 0.801 35 E CB -0.071 29.613 29.700 -0.027 0.000 0.743 35 E HN 0.638 nan 8.360 nan 0.000 0.453 36 R N 0.707 121.096 120.500 -0.185 0.000 2.073 36 R HA -0.051 4.303 4.340 0.023 0.000 0.229 36 R C 2.153 178.025 176.300 -0.713 0.000 1.120 36 R CA 1.490 57.320 56.100 -0.450 0.000 0.967 36 R CB -0.053 29.985 30.300 -0.437 0.000 0.862 36 R HN 0.018 nan 8.270 nan 0.000 0.436 37 K N -0.410 119.771 120.400 -0.366 0.000 2.097 37 K HA -0.048 4.286 4.320 0.023 0.000 0.206 37 K C 1.988 178.559 176.600 -0.050 0.000 1.049 37 K CA 1.841 58.016 56.287 -0.186 0.000 0.933 37 K CB -0.602 31.994 32.500 0.161 0.000 0.717 37 K HN 0.235 nan 8.250 nan 0.000 0.442 38 T N 1.443 116.061 114.554 0.107 0.000 2.821 38 T HA -0.144 4.220 4.350 0.023 0.000 0.267 38 T C 1.808 176.525 174.700 0.029 0.000 1.046 38 T CA 1.315 63.544 62.100 0.216 0.000 1.139 38 T CB -0.043 68.976 68.868 0.253 0.000 0.871 38 T HN 0.412 nan 8.240 nan 0.000 0.454 39 E N -0.001 120.168 120.200 -0.051 0.000 2.085 39 E HA -0.169 4.195 4.350 0.023 0.000 0.194 39 E C 1.722 178.353 176.600 0.052 0.000 0.994 39 E CA 1.167 57.557 56.400 -0.018 0.000 0.801 39 E CB -0.114 29.561 29.700 -0.043 0.000 0.743 39 E HN 0.397 nan 8.360 nan 0.000 0.453 40 F N 0.415 120.202 119.950 -0.272 0.000 2.146 40 F HA -0.111 4.430 4.527 0.023 0.000 0.298 40 F C 2.436 177.884 175.800 -0.586 0.000 1.096 40 F CA 0.470 58.141 58.000 -0.549 0.000 1.275 40 F CB -1.105 37.373 39.000 -0.869 0.000 1.008 40 F HN -0.045 nan 8.300 nan 0.000 0.480 41 V N 0.667 120.441 119.914 -0.235 0.000 2.287 41 V HA -0.338 3.796 4.120 0.023 0.000 0.248 41 V C 1.948 177.978 176.094 -0.106 0.000 1.053 41 V CA 2.261 64.434 62.300 -0.212 0.000 1.027 41 V CB -0.983 30.449 31.823 -0.652 0.000 0.646 41 V HN 0.349 nan 8.190 nan 0.000 0.447 42 N N 0.250 118.909 118.700 -0.068 0.000 2.120 42 N HA -0.145 4.609 4.740 0.023 0.000 0.188 42 N C 1.908 177.403 175.510 -0.025 0.000 1.024 42 N CA 1.237 54.278 53.050 -0.016 0.000 0.852 42 N CB -0.339 38.157 38.487 0.016 0.000 1.003 42 N HN 0.495 nan 8.380 nan 0.000 0.424 43 A N 0.868 123.661 122.820 -0.045 0.000 1.898 43 A HA -0.010 4.324 4.320 0.023 0.000 0.216 43 A C 2.376 179.921 177.584 -0.065 0.000 1.181 43 A CA 1.701 53.703 52.037 -0.059 0.000 0.620 43 A CB -1.239 17.709 19.000 -0.086 0.000 0.819 43 A HN 0.388 nan 8.150 nan 0.000 0.442 44 G N -0.159 108.599 108.800 -0.071 0.000 2.440 44 G HA2 -0.264 3.710 3.960 0.023 0.000 0.218 44 G HA3 -0.264 3.710 3.960 0.023 0.000 0.218 44 G C 1.674 176.580 174.900 0.010 0.000 1.154 44 G CA 1.189 46.294 45.100 0.007 0.000 0.767 44 G HN 0.588 nan 8.290 nan 0.000 0.552 45 K N 0.061 120.463 120.400 0.004 0.000 2.097 45 K HA -0.044 4.290 4.320 0.023 0.000 0.205 45 K C 2.357 178.957 176.600 -0.001 0.000 1.050 45 K CA 1.184 57.473 56.287 0.004 0.000 0.938 45 K CB -0.122 32.382 32.500 0.007 0.000 0.718 45 K HN 0.470 nan 8.250 nan 0.000 0.442 46 E N 0.875 121.071 120.200 -0.007 0.000 2.047 46 E HA -0.161 4.203 4.350 0.023 0.000 0.191 46 E C 1.976 178.569 176.600 -0.012 0.000 0.987 46 E CA 1.008 57.404 56.400 -0.008 0.000 0.799 46 E CB 0.155 29.849 29.700 -0.010 0.000 0.752 46 E HN -0.002 nan 8.360 nan 0.000 0.449 47 V N 1.471 121.372 119.914 -0.021 0.000 2.332 47 V HA -0.306 3.828 4.120 0.023 0.000 0.248 47 V C 2.506 178.590 176.094 -0.016 0.000 1.055 47 V CA 1.970 64.255 62.300 -0.024 0.000 1.038 47 V CB -0.824 30.977 31.823 -0.037 0.000 0.651 47 V HN 0.466 nan 8.190 nan 0.000 0.450 48 A N -0.274 122.540 122.820 -0.010 0.000 1.933 48 A HA -0.101 4.233 4.320 0.023 0.000 0.218 48 A C 2.405 179.985 177.584 -0.006 0.000 1.175 48 A CA 2.077 54.110 52.037 -0.007 0.000 0.628 48 A CB -0.718 18.280 19.000 -0.004 0.000 0.814 48 A HN 0.582 nan 8.150 nan 0.000 0.444 49 A N -0.284 122.534 122.820 -0.004 0.000 1.898 49 A HA -0.134 4.200 4.320 0.023 0.000 0.216 49 A C 2.128 179.710 177.584 -0.004 0.000 1.181 49 A CA 1.917 53.953 52.037 -0.002 0.000 0.620 49 A CB -0.444 18.557 19.000 0.001 0.000 0.819 49 A HN 0.546 nan 8.150 nan 0.000 0.442 50 K N 0.142 120.538 120.400 -0.006 0.000 2.032 50 K HA -0.192 4.142 4.320 0.023 0.000 0.209 50 K C 2.177 178.773 176.600 -0.007 0.000 1.048 50 K CA 1.754 58.038 56.287 -0.006 0.000 0.927 50 K CB -0.172 32.323 32.500 -0.009 0.000 0.712 50 K HN 0.612 nan 8.250 nan 0.000 0.441 51 R N -1.015 119.480 120.500 -0.009 0.000 2.300 51 R HA 0.109 4.463 4.340 0.023 0.000 0.199 51 R C 0.845 177.140 176.300 -0.008 0.000 0.920 51 R CA 0.807 56.901 56.100 -0.009 0.000 1.046 51 R CB 0.182 30.475 30.300 -0.013 0.000 0.984 51 R HN 0.276 nan 8.270 nan 0.000 0.493 52 G N 1.580 110.376 108.800 -0.006 0.000 2.160 52 G HA2 -0.233 3.741 3.960 0.023 0.000 0.251 52 G HA3 -0.233 3.741 3.960 0.023 0.000 0.251 52 G C -0.126 174.769 174.900 -0.007 0.000 1.008 52 G CA 0.539 45.636 45.100 -0.005 0.000 0.724 52 G HN 0.383 nan 8.290 nan 0.000 0.514 53 I N -0.080 120.485 120.570 -0.009 0.000 2.571 53 I HA 0.292 4.476 4.170 0.023 0.000 0.289 53 I C -2.401 173.708 176.117 -0.012 0.000 1.115 53 I CA -2.503 58.790 61.300 -0.011 0.000 1.045 53 I CB 2.530 40.522 38.000 -0.013 0.000 1.238 53 I HN -0.188 nan 8.210 nan 0.000 0.424 54 P HA 0.005 nan 4.420 nan 0.000 0.266 54 P C -0.615 176.674 177.300 -0.018 0.000 1.186 54 P CA 0.311 63.401 63.100 -0.015 0.000 0.767 54 P CB 0.917 32.605 31.700 -0.020 0.000 0.820 55 Q N 2.055 121.847 119.800 -0.013 0.000 2.942 55 Q HA 0.170 4.524 4.340 0.023 0.000 0.278 55 Q C -0.752 175.251 176.000 0.005 0.000 1.046 55 Q CA -0.461 55.338 55.803 -0.006 0.000 0.578 55 Q CB 0.181 28.919 28.738 -0.000 0.000 4.423 55 Q HN 0.296 nan 8.270 nan 0.000 0.274 56 Y N 2.935 123.177 120.300 -0.097 0.000 2.544 56 Y HA 0.204 4.768 4.550 0.023 0.000 0.330 56 Y C -0.756 175.078 175.900 -0.110 0.000 1.136 56 Y CA 0.643 58.677 58.100 -0.110 0.000 1.417 56 Y CB 0.361 38.740 38.460 -0.135 0.000 1.229 56 Y HN 0.370 nan 8.280 nan 0.000 0.532 57 N N 8.115 126.571 118.700 -0.408 0.000 2.519 57 N HA 0.261 5.015 4.740 0.023 0.000 0.291 57 N C -2.529 172.740 175.510 -0.402 0.000 1.107 57 N CA -1.992 50.909 53.050 -0.248 0.000 0.904 57 N CB 2.040 40.441 38.487 -0.142 0.000 1.500 57 N HN 0.348 nan 8.380 nan 0.000 0.510 58 P HA 0.097 nan 4.420 nan 0.000 0.237 58 P C -0.356 176.882 177.300 -0.103 0.000 1.178 58 P CA 0.683 63.596 63.100 -0.312 0.000 0.766 58 P CB 0.552 31.913 31.700 -0.564 0.000 0.876 59 D N -0.621 119.737 120.400 -0.071 0.000 2.363 59 D HA 0.118 4.772 4.640 0.023 0.000 0.214 59 D C 0.566 176.847 176.300 -0.032 0.000 1.093 59 D CA -0.059 53.940 54.000 -0.002 0.000 0.837 59 D CB 0.360 41.177 40.800 0.028 0.000 0.948 59 D HN 0.138 nan 8.370 nan 0.000 0.507 60 I N 0.897 121.418 120.570 -0.082 0.000 2.395 60 I HA 0.347 4.531 4.170 0.023 0.000 0.289 60 I C 1.577 177.655 176.117 -0.064 0.000 1.023 60 I CA 0.333 61.587 61.300 -0.077 0.000 1.350 60 I CB 0.417 38.345 38.000 -0.119 0.000 1.409 60 I HN 0.133 nan 8.210 nan 0.000 0.507 61 G N 5.598 114.375 108.800 -0.039 0.000 2.598 61 G HA2 -0.188 3.786 3.960 0.023 0.000 0.244 61 G HA3 -0.188 3.786 3.960 0.023 0.000 0.244 61 G C -0.009 174.883 174.900 -0.012 0.000 1.302 61 G CA -0.111 44.972 45.100 -0.028 0.000 0.903 61 G HN 0.893 nan 8.290 nan 0.000 0.575 62 T N 0.003 114.555 114.554 -0.004 0.000 2.918 62 T HA 0.687 5.051 4.350 0.023 0.000 0.283 62 T C -2.191 172.527 174.700 0.031 0.000 1.001 62 T CA -0.561 61.546 62.100 0.012 0.000 1.041 62 T CB 2.062 70.936 68.868 0.009 0.000 1.028 62 T HN 0.772 nan 8.240 nan 0.000 0.511 63 P HA 0.347 nan 4.420 nan 0.000 0.288 63 P C -0.137 177.226 177.300 0.105 0.000 1.363 63 P CA -0.559 62.600 63.100 0.098 0.000 0.837 63 P CB 0.391 32.151 31.700 0.099 0.000 0.981 64 L N 2.095 123.394 121.223 0.125 0.000 2.516 64 L HA 0.171 4.525 4.340 0.023 0.000 0.288 64 L C 1.570 178.515 176.870 0.124 0.000 1.246 64 L CA 1.045 55.956 54.840 0.117 0.000 0.844 64 L CB -0.415 41.733 42.059 0.148 0.000 1.106 64 L HN 0.783 nan 8.230 nan 0.000 0.509 65 G N 1.287 110.133 108.800 0.077 0.000 2.165 65 G HA2 -0.197 3.777 3.960 0.023 0.000 0.226 65 G HA3 -0.197 3.777 3.960 0.023 0.000 0.226 65 G C 0.639 175.572 174.900 0.056 0.000 1.035 65 G CA -0.186 44.955 45.100 0.068 0.000 0.744 65 G HN 0.625 nan 8.290 nan 0.000 0.501 66 Q N -0.786 119.042 119.800 0.046 0.000 2.378 66 Q HA 0.046 4.400 4.340 0.023 0.000 0.205 66 Q C 1.786 177.771 176.000 -0.024 0.000 0.954 66 Q CA 1.517 57.365 55.803 0.075 0.000 0.901 66 Q CB 0.165 28.989 28.738 0.144 0.000 0.981 66 Q HN 0.971 nan 8.270 nan 0.000 0.483 67 R N -1.665 118.815 120.500 -0.034 0.000 2.893 67 R HA 0.585 4.939 4.340 0.023 0.000 0.245 67 R C -0.288 176.066 176.300 0.090 0.000 1.192 67 R CA -0.884 55.254 56.100 0.064 0.000 1.077 67 R CB 0.567 30.840 30.300 -0.045 0.000 1.253 67 R HN -0.280 nan 8.270 nan 0.000 0.505 68 V N 2.217 122.224 119.914 0.155 0.000 2.557 68 V HA 0.009 4.143 4.120 0.023 0.000 0.301 68 V C 0.336 176.474 176.094 0.073 0.000 1.026 68 V CA 0.274 62.650 62.300 0.126 0.000 1.137 68 V CB 0.075 32.032 31.823 0.222 0.000 0.917 68 V HN 0.427 nan 8.190 nan 0.000 0.484 69 L N 7.108 128.350 121.223 0.032 0.000 2.325 69 L HA 0.362 4.716 4.340 0.023 0.000 0.284 69 L C 0.299 177.139 176.870 -0.050 0.000 1.089 69 L CA 0.151 54.998 54.840 0.012 0.000 0.836 69 L CB 0.448 42.529 42.059 0.037 0.000 1.184 69 L HN 0.570 nan 8.230 nan 0.000 0.444 70 M N 5.637 125.163 119.600 -0.123 0.000 2.288 70 M HA 0.364 4.858 4.480 0.023 0.000 0.334 70 M C -2.079 174.010 176.300 -0.351 0.000 1.150 70 M CA -1.594 53.520 55.300 -0.310 0.000 1.118 70 M CB 1.075 33.365 32.600 -0.517 0.000 1.501 70 M HN 0.293 nan 8.290 nan 0.000 0.462 71 P HA 0.239 nan 4.420 nan 0.000 0.278 71 P C -1.807 175.308 177.300 -0.307 0.000 1.258 71 P CA -0.148 62.864 63.100 -0.147 0.000 0.811 71 P CB 0.546 32.254 31.700 0.012 0.000 1.063 72 Y N -1.059 119.289 120.300 0.081 0.000 2.425 72 Y HA 0.331 4.894 4.550 0.023 0.000 0.344 72 Y C 0.869 176.706 175.900 -0.105 0.000 0.969 72 Y CA -0.650 57.458 58.100 0.014 0.000 1.052 72 Y CB 2.060 40.518 38.460 -0.004 0.000 1.215 72 Y HN 0.324 nan 8.280 nan 0.000 0.451 73 Q N 2.496 122.214 119.800 -0.136 0.000 2.288 73 Q HA 0.413 4.767 4.340 0.023 0.000 0.258 73 Q C -1.135 174.767 176.000 -0.162 0.000 0.957 73 Q CA -0.475 54.988 55.803 -0.566 0.000 0.919 73 Q CB 0.858 29.189 28.738 -0.679 0.000 1.185 73 Q HN 0.604 nan 8.270 nan 0.000 0.408 74 V N 4.104 123.959 119.914 -0.098 0.000 2.508 74 V HA 0.046 4.180 4.120 0.023 0.000 0.281 74 V C 0.185 176.298 176.094 0.031 0.000 1.041 74 V CA -0.097 62.248 62.300 0.074 0.000 1.016 74 V CB 1.185 33.085 31.823 0.128 0.000 0.984 74 V HN 0.827 nan 8.190 nan 0.000 0.478 75 S N 3.741 119.495 115.700 0.089 0.000 2.560 75 S HA 0.248 4.732 4.470 0.023 0.000 0.284 75 S C 1.213 175.843 174.600 0.050 0.000 1.327 75 S CA 0.520 58.758 58.200 0.063 0.000 1.055 75 S CB 0.651 63.910 63.200 0.099 0.000 0.868 75 S HN 1.470 nan 8.310 nan 0.000 0.506 76 T N -1.438 113.140 114.554 0.039 0.000 6.412 76 T HA -0.241 4.123 4.350 0.023 0.000 0.279 76 T C 0.158 174.863 174.700 0.009 0.000 2.177 76 T CA 1.536 63.654 62.100 0.030 0.000 3.599 76 T CB -2.683 66.203 68.868 0.029 0.000 1.259 76 T HN 1.065 nan 8.240 nan 0.000 1.146 77 T N -1.917 112.635 114.554 -0.003 0.000 2.927 77 T HA 0.655 5.019 4.350 0.023 0.000 0.286 77 T C -0.437 174.253 174.700 -0.018 0.000 1.040 77 T CA -0.309 61.787 62.100 -0.007 0.000 1.010 77 T CB 2.166 71.031 68.868 -0.005 0.000 1.177 77 T HN 0.058 nan 8.240 nan 0.000 0.546 78 D N 1.104 121.515 120.400 0.018 0.000 2.615 78 D HA 0.204 4.858 4.640 0.023 0.000 0.236 78 D C -0.309 176.054 176.300 0.105 0.000 1.233 78 D CA -0.079 53.966 54.000 0.074 0.000 0.829 78 D CB 0.414 41.284 40.800 0.116 0.000 1.024 78 D HN 0.507 nan 8.370 nan 0.000 0.490 79 T N 0.763 115.319 114.554 0.003 0.000 2.743 79 T HA 0.263 4.628 4.350 0.023 0.000 0.293 79 T C -0.386 174.278 174.700 -0.060 0.000 0.945 79 T CA -0.120 62.011 62.100 0.051 0.000 1.030 79 T CB 0.645 69.544 68.868 0.052 0.000 0.912 79 T HN -0.035 nan 8.240 nan 0.000 0.483 80 Y N 2.402 122.740 120.300 0.064 0.000 2.341 80 Y HA 0.566 5.130 4.550 0.023 0.000 0.338 80 Y C 0.165 176.105 175.900 0.066 0.000 0.965 80 Y CA -0.875 57.262 58.100 0.062 0.000 1.108 80 Y CB 1.532 40.003 38.460 0.019 0.000 1.180 80 Y HN 0.486 nan 8.280 nan 0.000 0.458 81 V N -0.587 119.453 119.914 0.210 0.000 3.049 81 V HA 0.562 4.696 4.120 0.023 0.000 0.309 81 V C -0.555 175.654 176.094 0.191 0.000 1.148 81 V CA -1.460 60.944 62.300 0.173 0.000 0.990 81 V CB 1.918 33.836 31.823 0.157 0.000 1.039 81 V HN 0.704 nan 8.190 nan 0.000 0.430 82 E N 1.787 122.071 120.200 0.140 0.000 2.415 82 E HA 0.243 4.607 4.350 0.023 0.000 0.262 82 E C 1.328 178.083 176.600 0.257 0.000 1.038 82 E CA 0.421 56.912 56.400 0.152 0.000 0.921 82 E CB 1.209 30.948 29.700 0.065 0.000 0.950 82 E HN 1.044 nan 8.360 nan 0.000 0.438 83 G N 2.968 112.003 108.800 0.392 0.000 2.470 83 G HA2 -0.267 3.707 3.960 0.023 0.000 0.220 83 G HA3 -0.267 3.707 3.960 0.023 0.000 0.220 83 G C 0.672 175.703 174.900 0.218 0.000 1.121 83 G CA 0.763 46.068 45.100 0.342 0.000 0.766 83 G HN 0.509 nan 8.290 nan 0.000 0.553 84 D N 0.916 121.444 120.400 0.214 0.000 2.263 84 D HA -0.033 4.621 4.640 0.023 0.000 0.208 84 D C 1.397 177.828 176.300 0.219 0.000 0.971 84 D CA 0.903 55.048 54.000 0.242 0.000 0.867 84 D CB -0.028 40.924 40.800 0.254 0.000 0.929 84 D HN 0.171 nan 8.370 nan 0.000 0.492 85 D N -0.359 120.145 120.400 0.172 0.000 2.363 85 D HA 0.028 4.682 4.640 0.023 0.000 0.220 85 D C 1.340 177.723 176.300 0.138 0.000 0.994 85 D CA 0.345 54.433 54.000 0.147 0.000 0.890 85 D CB 0.141 41.018 40.800 0.128 0.000 0.906 85 D HN 0.289 nan 8.370 nan 0.000 0.530 86 L N -0.388 120.921 121.223 0.143 0.000 2.693 86 L HA 0.096 4.450 4.340 0.023 0.000 0.235 86 L C 0.843 177.771 176.870 0.098 0.000 1.127 86 L CA -0.259 54.646 54.840 0.109 0.000 0.914 86 L CB 0.158 42.283 42.059 0.109 0.000 1.193 86 L HN 0.075 nan 8.230 nan 0.000 0.502 87 H N 0.861 119.959 119.070 0.047 0.000 2.764 87 H HA -0.060 4.510 4.556 0.024 0.000 0.341 87 H C 0.940 176.252 175.328 -0.027 0.000 1.072 87 H CA -0.076 55.983 56.048 0.019 0.000 1.444 87 H CB 1.141 30.887 29.762 -0.028 0.000 1.458 87 H HN 0.238 nan 8.280 nan 0.000 0.572 88 F N 3.884 123.823 119.950 -0.017 0.000 2.269 88 F HA -0.124 4.417 4.527 0.023 0.000 0.301 88 F C 1.567 177.467 175.800 0.167 0.000 1.082 88 F CA 0.712 58.737 58.000 0.042 0.000 1.360 88 F CB -0.938 38.044 39.000 -0.030 0.000 1.041 88 F HN 0.238 nan 8.300 nan 0.000 0.512 89 V N 1.469 121.034 119.914 -0.582 0.000 2.515 89 V HA -0.240 3.894 4.120 0.023 0.000 0.250 89 V C 1.445 177.423 176.094 -0.193 0.000 1.058 89 V CA 1.960 63.948 62.300 -0.520 0.000 1.064 89 V CB -0.838 30.582 31.823 -0.672 0.000 0.675 89 V HN 0.425 nan 8.190 nan 0.000 0.461 90 N N 0.557 119.201 118.700 -0.093 0.000 2.268 90 N HA 0.055 4.809 4.740 0.023 0.000 0.204 90 N C 0.231 175.765 175.510 0.040 0.000 1.124 90 N CA 0.188 53.227 53.050 -0.017 0.000 0.838 90 N CB -0.033 38.474 38.487 0.034 0.000 0.994 90 N HN 0.382 nan 8.380 nan 0.000 0.489 91 N N 0.417 119.144 118.700 0.044 0.000 2.577 91 N HA 0.263 5.017 4.740 0.023 0.000 0.275 91 N C 0.027 175.559 175.510 0.036 0.000 1.091 91 N CA -0.208 52.870 53.050 0.046 0.000 0.843 91 N CB 1.501 40.003 38.487 0.024 0.000 1.295 91 N HN -0.061 nan 8.380 nan 0.000 0.530 92 A N 2.842 125.697 122.820 0.059 0.000 2.066 92 A HA 0.109 4.443 4.320 0.023 0.000 0.218 92 A C 1.968 179.473 177.584 -0.131 0.000 1.157 92 A CA 1.472 53.561 52.037 0.087 0.000 0.670 92 A CB -0.221 18.914 19.000 0.225 0.000 0.804 92 A HN 0.674 nan 8.150 nan 0.000 0.453 93 A N -0.208 122.332 122.820 -0.466 0.000 1.933 93 A HA -0.113 4.221 4.320 0.023 0.000 0.218 93 A C 2.209 179.654 177.584 -0.233 0.000 1.175 93 A CA 1.744 53.187 52.037 -0.991 0.000 0.628 93 A CB -0.493 18.095 19.000 -0.687 0.000 0.814 93 A HN 0.523 nan 8.150 nan 0.000 0.444 94 M N -1.135 118.398 119.600 -0.113 0.000 2.099 94 M HA -0.203 4.291 4.480 0.023 0.000 0.262 94 M C 2.473 178.776 176.300 0.006 0.000 1.067 94 M CA 1.641 56.874 55.300 -0.112 0.000 1.124 94 M CB -0.430 32.066 32.600 -0.174 0.000 1.353 94 M HN 0.476 nan 8.290 nan 0.000 0.410 95 Q N -0.160 119.697 119.800 0.095 0.000 2.096 95 Q HA -0.272 4.082 4.340 0.023 0.000 0.204 95 Q C 2.094 178.186 176.000 0.154 0.000 0.982 95 Q CA 1.636 57.557 55.803 0.198 0.000 0.850 95 Q CB -0.201 28.665 28.738 0.212 0.000 0.901 95 Q HN 0.387 nan 8.270 nan 0.000 0.422 96 Q N 0.479 120.340 119.800 0.101 0.000 2.167 96 Q HA -0.110 4.244 4.340 0.023 0.000 0.202 96 Q C 1.844 177.898 176.000 0.091 0.000 0.970 96 Q CA 1.272 57.179 55.803 0.174 0.000 0.855 96 Q CB -0.118 28.850 28.738 0.384 0.000 0.911 96 Q HN 0.360 nan 8.270 nan 0.000 0.438 97 M N -1.154 118.343 119.600 -0.172 0.000 2.080 97 M HA -0.216 4.278 4.480 0.023 0.000 0.260 97 M C 1.876 178.180 176.300 0.006 0.000 1.068 97 M CA 1.943 56.917 55.300 -0.543 0.000 1.109 97 M CB -0.491 31.459 32.600 -1.083 0.000 1.342 97 M HN 0.581 nan 8.290 nan 0.000 0.405 98 W N 1.195 122.437 121.300 -0.096 0.000 2.381 98 W HA -0.225 4.449 4.660 0.023 0.000 0.301 98 W C 1.322 177.880 176.519 0.064 0.000 1.205 98 W CA 1.197 58.534 57.345 -0.012 0.000 1.285 98 W CB -0.273 29.183 29.460 -0.006 0.000 1.133 98 W HN 0.276 nan 8.180 nan 0.000 0.521 99 D N 0.779 121.069 120.400 -0.183 0.000 2.144 99 D HA -0.188 4.466 4.640 0.023 0.000 0.199 99 D C 1.453 177.639 176.300 -0.190 0.000 0.984 99 D CA 1.625 55.451 54.000 -0.290 0.000 0.834 99 D CB -0.647 40.113 40.800 -0.067 0.000 0.955 99 D HN 0.145 nan 8.370 nan 0.000 0.465 100 D N -0.214 120.209 120.400 0.038 0.000 2.219 100 D HA -0.019 4.635 4.640 0.023 0.000 0.205 100 D C 2.173 178.581 176.300 0.181 0.000 0.970 100 D CA 0.264 54.378 54.000 0.189 0.000 0.851 100 D CB 0.002 41.120 40.800 0.530 0.000 0.943 100 D HN 0.281 nan 8.370 nan 0.000 0.488 101 I N -0.019 120.599 120.570 0.079 0.000 2.277 101 I HA -0.124 4.060 4.170 0.023 0.000 0.243 101 I C 2.495 178.492 176.117 -0.201 0.000 1.094 101 I CA 0.500 61.821 61.300 0.036 0.000 1.393 101 I CB -0.102 37.908 38.000 0.016 0.000 1.078 101 I HN -0.132 nan 8.210 nan 0.000 0.417 102 R N 1.871 121.939 120.500 -0.721 0.000 2.105 102 R HA -0.177 4.177 4.340 0.023 0.000 0.239 102 R C 2.219 178.337 176.300 -0.303 0.000 1.135 102 R CA 1.513 57.182 56.100 -0.718 0.000 0.967 102 R CB -0.154 29.410 30.300 -1.226 0.000 0.861 102 R HN 0.380 nan 8.270 nan 0.000 0.442 103 R N -0.399 119.943 120.500 -0.263 0.000 2.320 103 R HA 0.106 4.460 4.340 0.023 0.000 0.211 103 R C -0.576 175.635 176.300 -0.149 0.000 0.931 103 R CA 0.286 56.270 56.100 -0.193 0.000 1.071 103 R CB 0.313 30.485 30.300 -0.213 0.000 1.025 103 R HN -0.078 nan 8.270 nan 0.000 0.495 104 T N 1.643 116.140 114.554 -0.095 0.000 2.859 104 T HA 0.479 4.843 4.350 0.023 0.000 0.281 104 T C -0.528 174.153 174.700 -0.033 0.000 1.005 104 T CA -0.525 61.514 62.100 -0.101 0.000 1.025 104 T CB 1.912 70.717 68.868 -0.104 0.000 0.977 104 T HN 0.193 nan 8.240 nan 0.000 0.458 105 V N 0.798 120.676 119.914 -0.059 0.000 3.114 105 V HA 0.723 4.857 4.120 0.023 0.000 0.308 105 V C -0.958 175.110 176.094 -0.043 0.000 1.168 105 V CA -1.248 61.031 62.300 -0.035 0.000 1.015 105 V CB 1.790 33.581 31.823 -0.054 0.000 1.050 105 V HN 0.823 nan 8.190 nan 0.000 0.433 106 I N 1.950 122.503 120.570 -0.028 0.000 2.377 106 I HA 0.706 4.890 4.170 0.023 0.000 0.293 106 I C -0.914 175.251 176.117 0.080 0.000 0.987 106 I CA -0.891 60.426 61.300 0.029 0.000 1.185 106 I CB 1.999 40.000 38.000 0.002 0.000 1.341 106 I HN 0.459 nan 8.210 nan 0.000 0.455 107 V N 4.901 124.887 119.914 0.119 0.000 2.569 107 V HA 0.454 4.588 4.120 0.023 0.000 0.301 107 V C 0.502 176.564 176.094 -0.052 0.000 1.044 107 V CA -0.728 61.602 62.300 0.050 0.000 0.874 107 V CB 1.598 33.412 31.823 -0.015 0.000 1.002 107 V HN 0.900 nan 8.190 nan 0.000 0.424 108 G N 2.883 111.526 108.800 -0.262 0.000 2.594 108 G HA2 0.427 4.401 3.960 0.023 0.000 0.243 108 G HA3 0.427 4.401 3.960 0.023 0.000 0.243 108 G C 0.309 174.788 174.900 -0.701 0.000 1.229 108 G CA -0.295 44.207 45.100 -0.996 0.000 0.843 108 G HN 0.728 nan 8.290 nan 0.000 0.578 109 L N 1.262 121.982 121.223 -0.838 0.000 2.769 109 L HA 0.150 4.504 4.340 0.023 0.000 0.240 109 L C 1.586 177.935 176.870 -0.867 0.000 1.163 109 L CA -0.256 54.086 54.840 -0.831 0.000 0.962 109 L CB 0.056 41.536 42.059 -0.966 0.000 1.258 109 L HN 0.484 nan 8.230 nan 0.000 0.513 110 N N -0.615 117.624 118.700 -0.768 0.000 2.251 110 N HA -0.100 4.654 4.740 0.023 0.000 0.181 110 N C 1.572 176.889 175.510 -0.321 0.000 1.019 110 N CA 1.029 53.764 53.050 -0.525 0.000 0.862 110 N CB -0.015 38.132 38.487 -0.567 0.000 0.992 110 N HN 0.339 nan 8.380 nan 0.000 0.429 111 H N 1.516 120.397 119.070 -0.315 0.000 2.357 111 H HA 0.119 4.689 4.556 0.023 0.000 0.301 111 H C 2.080 177.249 175.328 -0.265 0.000 1.082 111 H CA 1.111 57.015 56.048 -0.239 0.000 1.342 111 H CB -0.559 29.082 29.762 -0.203 0.000 1.389 111 H HN 0.210 nan 8.280 nan 0.000 0.511 112 A N 0.735 123.450 122.820 -0.176 0.000 1.883 112 A HA -0.222 4.112 4.320 0.023 0.000 0.217 112 A C 2.064 179.611 177.584 -0.062 0.000 1.186 112 A CA 1.817 53.776 52.037 -0.130 0.000 0.624 112 A CB -1.006 17.953 19.000 -0.070 0.000 0.822 112 A HN 0.609 nan 8.150 nan 0.000 0.444 113 H N -1.000 117.961 119.070 -0.182 0.000 2.423 113 H HA 0.028 4.598 4.556 0.023 0.000 0.297 113 H C 2.453 177.683 175.328 -0.163 0.000 1.075 113 H CA 0.535 56.462 56.048 -0.201 0.000 1.342 113 H CB 0.037 29.683 29.762 -0.193 0.000 1.395 113 H HN 0.581 nan 8.280 nan 0.000 0.530 114 A N 0.633 123.439 122.820 -0.023 0.000 1.930 114 A HA -0.107 4.227 4.320 0.023 0.000 0.217 114 A C 2.551 180.070 177.584 -0.109 0.000 1.175 114 A CA 1.149 53.151 52.037 -0.057 0.000 0.627 114 A CB -0.614 18.360 19.000 -0.043 0.000 0.815 114 A HN 0.198 nan 8.150 nan 0.000 0.443 115 V N 0.279 120.077 119.914 -0.194 0.000 2.358 115 V HA -0.256 3.878 4.120 0.023 0.000 0.246 115 V C 2.405 178.410 176.094 -0.149 0.000 1.047 115 V CA 1.914 64.042 62.300 -0.288 0.000 1.035 115 V CB -0.658 30.738 31.823 -0.712 0.000 0.658 115 V HN 0.573 nan 8.190 nan 0.000 0.452 116 I N -0.113 120.413 120.570 -0.074 0.000 2.163 116 I HA -0.274 3.910 4.170 0.023 0.000 0.243 116 I C 2.577 178.662 176.117 -0.053 0.000 1.085 116 I CA 1.870 63.146 61.300 -0.039 0.000 1.347 116 I CB -0.407 37.475 38.000 -0.197 0.000 1.044 116 I HN 0.392 nan 8.210 nan 0.000 0.408 117 E N 0.554 120.714 120.200 -0.066 0.000 2.072 117 E HA -0.202 4.162 4.350 0.023 0.000 0.190 117 E C 2.134 178.710 176.600 -0.040 0.000 0.982 117 E CA 1.127 57.499 56.400 -0.048 0.000 0.803 117 E CB 0.093 29.764 29.700 -0.048 0.000 0.755 117 E HN 0.376 nan 8.360 nan 0.000 0.453 118 K N 0.379 120.747 120.400 -0.053 0.000 2.063 118 K HA 0.077 4.411 4.320 0.023 0.000 0.204 118 K C 2.104 178.677 176.600 -0.046 0.000 1.039 118 K CA 0.665 56.922 56.287 -0.050 0.000 0.957 118 K CB -0.000 32.462 32.500 -0.063 0.000 0.764 118 K HN -0.119 nan 8.250 nan 0.000 0.447 119 R N 0.281 120.745 120.500 -0.060 0.000 2.073 119 R HA 0.075 4.429 4.340 0.023 0.000 0.229 119 R C 2.103 178.394 176.300 -0.016 0.000 1.120 119 R CA 1.155 57.228 56.100 -0.047 0.000 0.967 119 R CB -0.193 30.064 30.300 -0.071 0.000 0.862 119 R HN 0.110 nan 8.270 nan 0.000 0.436 120 L N -1.187 120.036 121.223 -0.001 0.000 2.307 120 L HA 0.202 4.556 4.340 0.023 0.000 0.211 120 L C 1.099 177.979 176.870 0.017 0.000 1.099 120 L CA 0.459 55.316 54.840 0.027 0.000 0.816 120 L CB 0.052 42.151 42.059 0.065 0.000 0.952 120 L HN 0.430 nan 8.230 nan 0.000 0.455 121 G N 1.367 110.168 108.800 0.002 0.000 2.225 121 G HA2 -0.256 3.718 3.960 0.023 0.000 0.264 121 G HA3 -0.256 3.718 3.960 0.023 0.000 0.264 121 G C 0.012 174.918 174.900 0.010 0.000 1.060 121 G CA 0.146 45.246 45.100 0.001 0.000 0.833 121 G HN 0.354 nan 8.290 nan 0.000 0.498 122 K N -0.205 120.203 120.400 0.013 0.000 2.281 122 K HA 0.501 4.835 4.320 0.023 0.000 0.242 122 K C 0.170 176.780 176.600 0.017 0.000 0.971 122 K CA -0.905 55.403 56.287 0.034 0.000 0.834 122 K CB 1.819 34.367 32.500 0.080 0.000 1.181 122 K HN 0.375 nan 8.250 nan 0.000 0.435 123 E N 0.815 121.038 120.200 0.039 0.000 2.349 123 E HA 0.266 4.630 4.350 0.023 0.000 0.265 123 E C -0.738 175.880 176.600 0.030 0.000 1.064 123 E CA -0.673 55.739 56.400 0.020 0.000 0.886 123 E CB 1.221 30.935 29.700 0.024 0.000 1.036 123 E HN 0.074 nan 8.360 nan 0.000 0.413 124 V N 1.923 121.807 119.914 -0.050 0.000 2.540 124 V HA 0.504 4.638 4.120 0.023 0.000 0.302 124 V C 0.009 176.046 176.094 -0.095 0.000 1.035 124 V CA -0.556 61.678 62.300 -0.109 0.000 0.873 124 V CB 1.647 33.222 31.823 -0.413 0.000 0.992 124 V HN 0.961 nan 8.190 nan 0.000 0.428 125 T N 1.836 116.359 114.554 -0.051 0.000 2.787 125 T HA 0.503 4.867 4.350 0.023 0.000 0.297 125 T C -2.559 172.135 174.700 -0.010 0.000 1.221 125 T CA -1.828 60.254 62.100 -0.029 0.000 1.006 125 T CB 2.150 71.017 68.868 -0.002 0.000 1.328 125 T HN 0.242 nan 8.240 nan 0.000 0.509 126 P HA -0.061 nan 4.420 nan 0.000 0.216 126 P C 1.005 178.340 177.300 0.057 0.000 1.150 126 P CA 1.274 64.399 63.100 0.042 0.000 0.843 126 P CB 0.058 31.784 31.700 0.043 0.000 0.787 127 E N -1.348 118.877 120.200 0.041 0.000 2.107 127 E HA -0.123 4.241 4.350 0.023 0.000 0.191 127 E C 2.022 178.651 176.600 0.049 0.000 0.982 127 E CA 1.792 58.218 56.400 0.043 0.000 0.809 127 E CB -1.156 28.555 29.700 0.017 0.000 0.756 127 E HN 0.370 nan 8.360 nan 0.000 0.459 128 T N -0.890 113.686 114.554 0.037 0.000 2.904 128 T HA -0.041 4.323 4.350 0.023 0.000 0.267 128 T C 1.975 176.726 174.700 0.084 0.000 1.059 128 T CA 0.660 62.769 62.100 0.014 0.000 1.137 128 T CB -0.303 68.597 68.868 0.053 0.000 0.879 128 T HN 0.044 nan 8.240 nan 0.000 0.467 129 I N 1.495 122.137 120.570 0.120 0.000 2.202 129 I HA -0.129 4.055 4.170 0.023 0.000 0.242 129 I C 2.940 179.148 176.117 0.152 0.000 1.091 129 I CA 1.350 62.760 61.300 0.184 0.000 1.368 129 I CB -0.770 37.314 38.000 0.140 0.000 1.058 129 I HN 0.254 nan 8.210 nan 0.000 0.410 130 T N -0.893 113.730 114.554 0.115 0.000 2.746 130 T HA -0.273 4.091 4.350 0.023 0.000 0.267 130 T C 1.890 176.612 174.700 0.037 0.000 1.039 130 T CA 1.879 64.040 62.100 0.102 0.000 1.142 130 T CB -0.413 68.558 68.868 0.172 0.000 0.866 130 T HN 0.416 nan 8.240 nan 0.000 0.444 131 H N -0.001 119.048 119.070 -0.035 0.000 2.321 131 H HA -0.107 4.463 4.556 0.023 0.000 0.300 131 H C 2.001 177.250 175.328 -0.131 0.000 1.087 131 H CA 1.767 57.765 56.048 -0.084 0.000 1.319 131 H CB -0.624 29.069 29.762 -0.114 0.000 1.379 131 H HN 0.480 nan 8.280 nan 0.000 0.501 132 Y N 0.487 120.612 120.300 -0.292 0.000 2.165 132 Y HA -0.198 4.366 4.550 0.023 0.000 0.286 132 Y C 2.101 177.819 175.900 -0.303 0.000 1.155 132 Y CA 1.846 59.776 58.100 -0.283 0.000 1.164 132 Y CB -0.435 37.990 38.460 -0.058 0.000 0.978 132 Y HN 0.252 nan 8.280 nan 0.000 0.513 133 L N -0.127 120.789 121.223 -0.512 0.000 2.109 133 L HA -0.152 4.202 4.340 0.023 0.000 0.207 133 L C 2.526 178.832 176.870 -0.940 0.000 1.086 133 L CA 1.232 55.545 54.840 -0.878 0.000 0.760 133 L CB -0.541 40.831 42.059 -1.144 0.000 0.910 133 L HN 0.205 nan 8.230 nan 0.000 0.437 134 E N -0.144 119.673 120.200 -0.638 0.000 2.051 134 E HA -0.184 4.180 4.350 0.023 0.000 0.192 134 E C 2.153 178.598 176.600 -0.260 0.000 0.991 134 E CA 1.906 58.165 56.400 -0.235 0.000 0.799 134 E CB -0.306 29.361 29.700 -0.056 0.000 0.748 134 E HN 0.469 nan 8.360 nan 0.000 0.449 135 T N 1.293 115.601 114.554 -0.410 0.000 2.674 135 T HA -0.128 4.236 4.350 0.023 0.000 0.265 135 T C 2.024 176.554 174.700 -0.284 0.000 1.039 135 T CA 1.256 63.148 62.100 -0.346 0.000 1.150 135 T CB -0.397 68.202 68.868 -0.449 0.000 0.864 135 T HN 0.010 nan 8.240 nan 0.000 0.427 136 V N 2.219 121.835 119.914 -0.497 0.000 2.759 136 V HA -0.079 4.055 4.120 0.023 0.000 0.256 136 V C 2.030 178.015 176.094 -0.182 0.000 1.080 136 V CA 1.381 63.450 62.300 -0.384 0.000 1.101 136 V CB -0.554 30.887 31.823 -0.636 0.000 0.698 136 V HN 0.465 nan 8.190 nan 0.000 0.477 137 N N -0.650 117.962 118.700 -0.147 0.000 2.409 137 N HA -0.144 4.610 4.740 0.023 0.000 0.179 137 N C 1.636 177.192 175.510 0.076 0.000 1.032 137 N CA 1.326 54.391 53.050 0.025 0.000 0.898 137 N CB -0.087 38.487 38.487 0.145 0.000 0.971 137 N HN 0.741 nan 8.380 nan 0.000 0.441 138 H N 0.903 119.949 119.070 -0.040 0.000 2.343 138 H HA 0.150 4.720 4.556 0.023 0.000 0.303 138 H C 1.945 177.262 175.328 -0.017 0.000 1.068 138 H CA 1.813 57.849 56.048 -0.020 0.000 1.359 138 H CB -0.038 29.696 29.762 -0.047 0.000 1.402 138 H HN 0.119 nan 8.280 nan 0.000 0.515 139 A N 0.472 123.245 122.820 -0.078 0.000 1.897 139 A HA -0.098 4.236 4.320 0.023 0.000 0.215 139 A C 2.397 179.936 177.584 -0.075 0.000 1.181 139 A CA 1.623 53.587 52.037 -0.123 0.000 0.620 139 A CB -0.721 18.240 19.000 -0.065 0.000 0.821 139 A HN 0.537 nan 8.150 nan 0.000 0.443 140 M N 0.340 119.937 119.600 -0.004 0.000 2.106 140 M HA -0.063 4.431 4.480 0.023 0.000 0.259 140 M C -1.222 175.243 176.300 0.276 0.000 1.068 140 M CA 1.761 57.136 55.300 0.126 0.000 1.100 140 M CB -1.089 31.572 32.600 0.102 0.000 1.351 140 M HN 0.157 nan 8.290 nan 0.000 0.404 141 P HA 0.178 nan 4.420 nan 0.000 0.230 141 P C 0.080 177.556 177.300 0.293 0.000 1.158 141 P CA 1.488 64.713 63.100 0.209 0.000 0.769 141 P CB 0.049 31.808 31.700 0.098 0.000 0.807 142 G N -1.759 107.135 108.800 0.156 0.000 2.462 142 G HA2 0.196 4.170 3.960 0.023 0.000 0.124 142 G HA3 0.196 4.170 3.960 0.023 0.000 0.124 142 G C -0.206 174.656 174.900 -0.064 0.000 1.062 142 G CA -0.339 44.801 45.100 0.068 0.000 0.764 142 G HN 0.498 nan 8.290 nan 0.000 0.485 143 A N -0.638 122.068 122.820 -0.190 0.000 2.423 143 A HA 1.088 5.422 4.320 0.023 0.000 0.304 143 A C 0.315 177.792 177.584 -0.178 0.000 1.104 143 A CA 0.194 52.060 52.037 -0.285 0.000 0.757 143 A CB 1.625 20.227 19.000 -0.663 0.000 1.313 143 A HN 2.090 nan 8.150 nan 0.000 0.423 144 A N -0.039 122.788 122.820 0.011 0.000 2.295 144 A HA 0.616 4.950 4.320 0.023 0.000 0.318 144 A C 0.728 178.411 177.584 0.164 0.000 1.134 144 A CA 0.210 52.285 52.037 0.063 0.000 0.827 144 A CB 0.670 19.691 19.000 0.035 0.000 1.136 144 A HN 1.984 nan 8.150 nan 0.000 0.493 145 V N -0.582 119.374 119.914 0.071 0.000 3.485 145 V HA 0.214 4.348 4.120 0.023 0.000 0.280 145 V C 0.727 176.821 176.094 0.000 0.000 1.495 145 V CA 0.815 63.135 62.300 0.034 0.000 1.018 145 V CB -0.317 31.516 31.823 0.017 0.000 0.818 145 V HN 0.491 nan 8.190 nan 0.000 0.436 146 V N -0.581 119.334 119.914 0.001 0.000 3.102 146 V HA 0.254 4.388 4.120 0.023 0.000 0.225 146 V C 0.957 177.052 176.094 0.003 0.000 1.301 146 V CA 0.455 62.753 62.300 -0.003 0.000 1.308 146 V CB 0.515 32.335 31.823 -0.006 0.000 1.129 146 V HN 0.444 nan 8.190 nan 0.000 0.502 147 Q N 0.881 120.684 119.800 0.006 0.000 2.306 147 Q HA 0.318 4.672 4.340 0.023 0.000 0.241 147 Q C -0.329 175.685 176.000 0.023 0.000 0.948 147 Q CA -0.173 55.639 55.803 0.014 0.000 0.886 147 Q CB 1.423 30.171 28.738 0.016 0.000 1.227 147 Q HN 0.354 nan 8.270 nan 0.000 0.457 148 E N 1.073 121.295 120.200 0.035 0.000 2.349 148 E HA -0.037 4.327 4.350 0.023 0.000 0.265 148 E C -0.621 176.046 176.600 0.112 0.000 1.064 148 E CA 0.039 56.471 56.400 0.054 0.000 0.886 148 E CB 0.394 30.128 29.700 0.056 0.000 1.036 148 E HN 0.628 nan 8.360 nan 0.000 0.413 149 H N 2.720 121.790 119.070 -0.001 0.000 2.839 149 H HA -0.138 4.432 4.556 0.023 0.000 0.298 149 H C -0.854 174.473 175.328 -0.001 0.000 1.224 149 H CA 0.693 56.741 56.048 -0.000 0.000 1.144 149 H CB -0.732 29.030 29.762 -0.001 0.000 1.372 149 H HN 0.382 nan 8.280 nan 0.000 0.408 150 M N 0.794 120.404 119.600 0.018 0.000 2.274 150 M HA 0.336 4.830 4.480 0.023 0.000 0.344 150 M C 0.942 177.227 176.300 -0.025 0.000 1.161 150 M CA -0.517 54.793 55.300 0.017 0.000 1.126 150 M CB 1.494 34.097 32.600 0.004 0.000 1.522 150 M HN 0.146 nan 8.290 nan 0.000 0.461 151 V N 0.137 120.051 119.914 0.000 0.000 2.628 151 V HA 0.743 4.877 4.120 0.023 0.000 0.306 151 V C -0.530 175.561 176.094 -0.003 0.000 1.045 151 V CA -0.638 61.657 62.300 -0.009 0.000 0.905 151 V CB 2.004 33.837 31.823 0.017 0.000 0.997 151 V HN 0.914 nan 8.190 nan 0.000 0.436 152 E N 1.420 121.617 120.200 -0.005 0.000 2.410 152 E HA 0.558 4.922 4.350 0.023 0.000 0.269 152 E C -0.665 175.949 176.600 0.024 0.000 0.937 152 E CA -0.848 55.549 56.400 -0.005 0.000 0.793 152 E CB 2.233 31.917 29.700 -0.027 0.000 1.314 152 E HN 0.973 nan 8.360 nan 0.000 0.447 153 T N -1.245 113.338 114.554 0.049 0.000 2.913 153 T HA 0.045 4.409 4.350 0.023 0.000 0.297 153 T C 0.177 174.934 174.700 0.096 0.000 1.029 153 T CA -0.623 61.537 62.100 0.100 0.000 1.104 153 T CB 0.651 69.609 68.868 0.149 0.000 0.964 153 T HN 0.389 nan 8.240 nan 0.000 0.532 154 H N 3.698 122.790 119.070 0.037 0.000 2.955 154 H HA 0.187 4.757 4.556 0.023 0.000 0.290 154 H C -1.860 173.485 175.328 0.029 0.000 1.047 154 H CA -2.114 53.951 56.048 0.028 0.000 1.484 154 H CB 1.016 30.795 29.762 0.028 0.000 1.501 154 H HN 0.412 nan 8.280 nan 0.000 0.521 155 P HA -0.176 nan 4.420 nan 0.000 0.217 155 P C 0.993 178.427 177.300 0.223 0.000 1.151 155 P CA 2.175 65.378 63.100 0.173 0.000 0.849 155 P CB 0.164 31.918 31.700 0.090 0.000 0.787 156 A N -1.327 121.716 122.820 0.371 0.000 2.119 156 A HA -0.039 4.295 4.320 0.023 0.000 0.216 156 A C 2.036 179.628 177.584 0.012 0.000 1.152 156 A CA 0.818 52.930 52.037 0.125 0.000 0.708 156 A CB -1.313 17.718 19.000 0.052 0.000 0.805 156 A HN 0.143 nan 8.150 nan 0.000 0.460 157 L N -0.323 120.901 121.223 0.002 0.000 2.395 157 L HA -0.036 4.318 4.340 0.023 0.000 0.218 157 L C 1.370 178.254 176.870 0.022 0.000 1.130 157 L CA 0.914 55.743 54.840 -0.018 0.000 0.826 157 L CB 0.081 42.135 42.059 -0.008 0.000 0.941 157 L HN 0.401 nan 8.230 nan 0.000 0.451 158 V N -5.036 114.912 119.914 0.057 0.000 2.915 158 V HA 0.439 4.573 4.120 0.023 0.000 0.364 158 V C 1.452 177.585 176.094 0.065 0.000 1.354 158 V CA 0.214 62.542 62.300 0.047 0.000 1.213 158 V CB 0.053 31.917 31.823 0.068 0.000 1.268 158 V HN 0.106 nan 8.190 nan 0.000 0.557 159 A N 1.441 124.302 122.820 0.068 0.000 2.168 159 A HA -0.067 4.267 4.320 0.023 0.000 0.215 159 A C 1.778 179.428 177.584 0.111 0.000 1.152 159 A CA 1.436 53.523 52.037 0.083 0.000 0.716 159 A CB -0.339 18.698 19.000 0.062 0.000 0.794 159 A HN 0.798 nan 8.150 nan 0.000 0.465 160 D N -0.901 119.561 120.400 0.103 0.000 2.339 160 D HA 0.038 4.692 4.640 0.023 0.000 0.217 160 D C 0.630 177.022 176.300 0.153 0.000 1.050 160 D CA 0.474 54.564 54.000 0.150 0.000 0.856 160 D CB -0.252 40.604 40.800 0.093 0.000 0.922 160 D HN 0.204 nan 8.370 nan 0.000 0.518 161 S N -0.099 115.659 115.700 0.096 0.000 2.525 161 S HA 0.513 4.997 4.470 0.023 0.000 0.278 161 S C -0.926 173.761 174.600 0.146 0.000 1.234 161 S CA -0.652 57.548 58.200 -0.001 0.000 1.058 161 S CB 0.168 63.355 63.200 -0.020 0.000 0.983 161 S HN 0.365 nan 8.310 nan 0.000 0.495 162 Y N 0.676 120.994 120.300 0.031 0.000 2.818 162 Y HA 0.679 5.243 4.550 0.023 0.000 0.341 162 Y C -1.957 173.969 175.900 0.043 0.000 1.283 162 Y CA -1.342 56.788 58.100 0.051 0.000 1.075 162 Y CB 0.545 39.047 38.460 0.070 0.000 1.370 162 Y HN 0.283 nan 8.280 nan 0.000 0.448 163 V N 2.000 122.083 119.914 0.283 0.000 2.577 163 V HA 0.538 4.672 4.120 0.023 0.000 0.303 163 V C -0.592 175.686 176.094 0.307 0.000 1.042 163 V CA -0.986 61.413 62.300 0.166 0.000 0.872 163 V CB 1.560 33.410 31.823 0.045 0.000 0.998 163 V HN 0.751 nan 8.190 nan 0.000 0.423 164 K N 2.421 123.001 120.400 0.301 0.000 2.306 164 K HA 0.887 5.221 4.320 0.023 0.000 0.236 164 K C -0.933 175.793 176.600 0.209 0.000 1.013 164 K CA -0.817 55.653 56.287 0.305 0.000 0.857 164 K CB 2.617 35.317 32.500 0.333 0.000 1.214 164 K HN 0.579 nan 8.250 nan 0.000 0.449 165 V N -1.235 118.806 119.914 0.212 0.000 2.960 165 V HA 0.801 4.935 4.120 0.023 0.000 0.315 165 V C -0.956 175.273 176.094 0.225 0.000 1.087 165 V CA -0.850 61.525 62.300 0.126 0.000 0.982 165 V CB 1.114 32.981 31.823 0.074 0.000 1.039 165 V HN 0.771 nan 8.190 nan 0.000 0.437 166 F N -0.557 119.483 119.950 0.150 0.000 2.643 166 F HA 0.961 5.502 4.527 0.024 0.000 0.314 166 F C -0.494 175.399 175.800 0.155 0.000 1.096 166 F CA -0.491 57.590 58.000 0.134 0.000 0.953 166 F CB 1.629 40.693 39.000 0.105 0.000 1.345 166 F HN 0.897 nan 8.300 nan 0.000 0.468 167 T N -0.611 114.164 114.554 0.368 0.000 2.886 167 T HA 0.467 4.831 4.350 0.023 0.000 0.330 167 T C 0.432 175.271 174.700 0.231 0.000 1.488 167 T CA -0.065 62.189 62.100 0.256 0.000 1.054 167 T CB 1.319 70.261 68.868 0.124 0.000 1.348 167 T HN 1.231 nan 8.240 nan 0.000 0.489 168 G N 2.127 111.038 108.800 0.185 0.000 2.650 168 G HA2 0.037 4.011 3.960 0.023 0.000 0.214 168 G HA3 0.037 4.011 3.960 0.023 0.000 0.214 168 G C 0.661 175.612 174.900 0.086 0.000 1.136 168 G CA -0.070 45.098 45.100 0.114 0.000 0.789 168 G HN 0.691 nan 8.290 nan 0.000 0.536 169 N N 1.137 119.889 118.700 0.087 0.000 2.439 169 N HA 0.051 4.805 4.740 0.023 0.000 0.243 169 N C 0.084 175.636 175.510 0.069 0.000 1.088 169 N CA -0.310 52.779 53.050 0.066 0.000 0.940 169 N CB 0.812 39.332 38.487 0.055 0.000 1.180 169 N HN -0.054 nan 8.380 nan 0.000 0.505 170 D N 2.531 122.968 120.400 0.061 0.000 2.182 170 D HA -0.212 4.442 4.640 0.023 0.000 0.201 170 D C 1.327 177.661 176.300 0.056 0.000 0.986 170 D CA 1.185 55.221 54.000 0.061 0.000 0.847 170 D CB 0.307 41.137 40.800 0.050 0.000 0.942 170 D HN 0.683 nan 8.370 nan 0.000 0.467 171 E N 0.591 120.820 120.200 0.048 0.000 2.035 171 E HA -0.199 4.165 4.350 0.023 0.000 0.204 171 E C 1.907 178.537 176.600 0.049 0.000 1.025 171 E CA 1.165 57.590 56.400 0.042 0.000 0.835 171 E CB -0.266 29.454 29.700 0.034 0.000 0.764 171 E HN 0.099 nan 8.360 nan 0.000 0.457 172 I N 0.949 121.552 120.570 0.054 0.000 2.202 172 I HA -0.133 4.051 4.170 0.023 0.000 0.242 172 I C 2.363 178.527 176.117 0.078 0.000 1.091 172 I CA 1.443 62.780 61.300 0.061 0.000 1.368 172 I CB -1.450 36.585 38.000 0.060 0.000 1.058 172 I HN 0.255 nan 8.210 nan 0.000 0.410 173 A N 0.266 123.138 122.820 0.088 0.000 1.908 173 A HA -0.228 4.106 4.320 0.023 0.000 0.218 173 A C 1.983 179.623 177.584 0.093 0.000 1.181 173 A CA 2.185 54.285 52.037 0.106 0.000 0.627 173 A CB -0.786 18.284 19.000 0.117 0.000 0.818 173 A HN 0.394 nan 8.150 nan 0.000 0.445 174 D N -1.150 119.294 120.400 0.074 0.000 2.269 174 D HA -0.064 4.590 4.640 0.023 0.000 0.208 174 D C 1.767 178.102 176.300 0.059 0.000 0.963 174 D CA 1.244 55.281 54.000 0.062 0.000 0.864 174 D CB -0.157 40.673 40.800 0.050 0.000 0.936 174 D HN 0.785 nan 8.370 nan 0.000 0.505 175 E N -0.116 120.122 120.200 0.063 0.000 2.371 175 E HA 0.019 4.383 4.350 0.023 0.000 0.194 175 E C 0.638 177.286 176.600 0.080 0.000 1.012 175 E CA 0.013 56.450 56.400 0.061 0.000 0.860 175 E CB 0.322 30.054 29.700 0.053 0.000 0.811 175 E HN 0.154 nan 8.360 nan 0.000 0.502 176 I N 1.825 122.458 120.570 0.105 0.000 2.720 176 I HA -0.037 4.147 4.170 0.023 0.000 0.287 176 I C 0.471 176.668 176.117 0.134 0.000 1.090 176 I CA -0.605 60.787 61.300 0.153 0.000 1.384 176 I CB 0.556 38.670 38.000 0.190 0.000 1.420 176 I HN 0.074 nan 8.210 nan 0.000 0.575 177 D N 7.364 127.859 120.400 0.159 0.000 2.520 177 D HA -0.028 4.627 4.640 0.023 0.000 0.243 177 D C -1.618 174.656 176.300 -0.044 0.000 1.160 177 D CA -1.392 52.619 54.000 0.018 0.000 0.877 177 D CB 1.110 41.871 40.800 -0.065 0.000 1.150 177 D HN 0.186 nan 8.370 nan 0.000 0.494 178 P HA -0.077 nan 4.420 nan 0.000 0.228 178 P C 0.890 178.119 177.300 -0.119 0.000 1.151 178 P CA 0.716 63.791 63.100 -0.042 0.000 0.770 178 P CB 0.046 31.722 31.700 -0.039 0.000 0.786 179 A N -0.688 121.952 122.820 -0.300 0.000 1.972 179 A HA -0.138 4.196 4.320 0.023 0.000 0.219 179 A C 1.473 178.845 177.584 -0.353 0.000 1.169 179 A CA 1.280 53.058 52.037 -0.432 0.000 0.635 179 A CB -1.422 17.145 19.000 -0.721 0.000 0.810 179 A HN 0.120 nan 8.150 nan 0.000 0.446 180 F N -1.088 118.877 119.950 0.025 0.000 2.727 180 F HA 0.306 4.847 4.527 0.023 0.000 0.302 180 F C 0.271 176.122 175.800 0.084 0.000 1.097 180 F CA -0.561 57.471 58.000 0.053 0.000 1.330 180 F CB 0.043 39.081 39.000 0.063 0.000 1.084 180 F HN -0.146 nan 8.300 nan 0.000 0.578 181 V N 1.787 121.819 119.914 0.196 0.000 2.495 181 V HA 0.323 4.457 4.120 0.023 0.000 0.298 181 V C 0.126 176.322 176.094 0.169 0.000 1.031 181 V CA -1.076 61.344 62.300 0.200 0.000 0.871 181 V CB 2.468 34.388 31.823 0.162 0.000 0.988 181 V HN -0.061 nan 8.190 nan 0.000 0.432 182 I N 4.129 124.833 120.570 0.224 0.000 2.308 182 I HA 0.181 4.365 4.170 0.023 0.000 0.293 182 I C 0.097 176.330 176.117 0.193 0.000 1.078 182 I CA 0.082 61.499 61.300 0.194 0.000 1.292 182 I CB 0.562 38.697 38.000 0.224 0.000 1.423 182 I HN 0.574 nan 8.210 nan 0.000 0.493 183 D N 7.612 128.098 120.400 0.143 0.000 2.380 183 D HA 0.182 4.836 4.640 0.023 0.000 0.230 183 D C 1.096 177.494 176.300 0.163 0.000 1.154 183 D CA -0.154 53.928 54.000 0.135 0.000 0.859 183 D CB 1.009 41.865 40.800 0.094 0.000 1.045 183 D HN 0.434 nan 8.370 nan 0.000 0.495 184 I N 3.071 123.749 120.570 0.179 0.000 2.264 184 I HA -0.291 3.893 4.170 0.023 0.000 0.248 184 I C 1.950 178.213 176.117 0.244 0.000 1.111 184 I CA 0.618 62.058 61.300 0.234 0.000 1.382 184 I CB -0.126 37.914 38.000 0.066 0.000 1.060 184 I HN 0.369 nan 8.210 nan 0.000 0.418 185 N N 0.821 119.606 118.700 0.142 0.000 2.309 185 N HA -0.177 4.577 4.740 0.023 0.000 0.182 185 N C 1.790 177.361 175.510 0.101 0.000 1.018 185 N CA 1.008 54.125 53.050 0.111 0.000 0.876 185 N CB -0.163 38.370 38.487 0.076 0.000 0.972 185 N HN 0.446 nan 8.380 nan 0.000 0.434 186 K N 0.719 121.174 120.400 0.091 0.000 2.116 186 K HA 0.006 4.340 4.320 0.023 0.000 0.203 186 K C 1.257 177.870 176.600 0.023 0.000 1.052 186 K CA 0.755 57.075 56.287 0.055 0.000 0.952 186 K CB 0.331 32.857 32.500 0.042 0.000 0.729 186 K HN 0.017 nan 8.250 nan 0.000 0.446 187 Q N -0.598 119.210 119.800 0.013 0.000 2.408 187 Q HA 0.104 4.458 4.340 0.023 0.000 0.205 187 Q C -0.346 175.390 176.000 -0.441 0.000 0.919 187 Q CA 0.483 56.162 55.803 -0.207 0.000 0.932 187 Q CB 0.479 29.030 28.738 -0.310 0.000 1.058 187 Q HN 0.118 nan 8.270 nan 0.000 0.517 188 F N 1.776 121.728 119.950 0.003 0.000 2.532 188 F HA 0.402 4.943 4.527 0.023 0.000 0.321 188 F C -1.998 173.771 175.800 -0.051 0.000 1.089 188 F CA -2.767 55.221 58.000 -0.021 0.000 0.926 188 F CB 1.572 40.551 39.000 -0.035 0.000 1.168 188 F HN -0.189 nan 8.300 nan 0.000 0.459 189 P HA 0.073 nan 4.420 nan 0.000 0.269 189 P C 0.040 177.316 177.300 -0.039 0.000 1.215 189 P CA 0.054 63.103 63.100 -0.085 0.000 0.780 189 P CB 0.969 32.396 31.700 -0.456 0.000 0.898 190 E N 1.033 121.217 120.200 -0.027 0.000 2.097 190 E HA -0.262 4.102 4.350 0.023 0.000 0.196 190 E C 1.548 178.137 176.600 -0.019 0.000 1.000 190 E CA 1.907 58.305 56.400 -0.004 0.000 0.804 190 E CB -0.229 29.472 29.700 0.001 0.000 0.740 190 E HN 0.629 nan 8.360 nan 0.000 0.454 191 D N 1.053 121.423 120.400 -0.050 0.000 2.087 191 D HA -0.264 4.390 4.640 0.023 0.000 0.192 191 D C 1.843 178.117 176.300 -0.043 0.000 0.993 191 D CA 1.487 55.459 54.000 -0.047 0.000 0.828 191 D CB -0.707 40.056 40.800 -0.062 0.000 0.968 191 D HN 0.249 nan 8.370 nan 0.000 0.448 192 Q N 0.359 120.126 119.800 -0.056 0.000 2.124 192 Q HA -0.039 4.315 4.340 0.023 0.000 0.202 192 Q C 2.451 178.402 176.000 -0.082 0.000 0.977 192 Q CA 1.522 57.300 55.803 -0.041 0.000 0.850 192 Q CB -0.249 28.509 28.738 0.033 0.000 0.901 192 Q HN 0.471 nan 8.270 nan 0.000 0.429 193 A N 1.280 124.082 122.820 -0.029 0.000 1.908 193 A HA -0.217 4.117 4.320 0.023 0.000 0.218 193 A C 1.931 179.479 177.584 -0.059 0.000 1.181 193 A CA 1.367 53.375 52.037 -0.049 0.000 0.627 193 A CB -0.301 18.729 19.000 0.051 0.000 0.818 193 A HN 0.202 nan 8.150 nan 0.000 0.445 194 E N -0.432 119.751 120.200 -0.028 0.000 2.106 194 E HA -0.109 4.255 4.350 0.023 0.000 0.192 194 E C 2.170 178.759 176.600 -0.018 0.000 0.984 194 E CA 1.595 57.986 56.400 -0.016 0.000 0.806 194 E CB -0.889 28.809 29.700 -0.004 0.000 0.750 194 E HN 0.588 nan 8.360 nan 0.000 0.458 195 T N 1.940 116.482 114.554 -0.019 0.000 2.652 195 T HA -0.108 4.256 4.350 0.023 0.000 0.267 195 T C 2.126 176.826 174.700 -0.001 0.000 1.039 195 T CA 0.960 63.069 62.100 0.015 0.000 1.153 195 T CB -0.268 68.619 68.868 0.032 0.000 0.863 195 T HN 0.086 nan 8.240 nan 0.000 0.428 196 L N 0.315 121.483 121.223 -0.092 0.000 2.083 196 L HA -0.079 4.275 4.340 0.023 0.000 0.209 196 L C 2.644 179.426 176.870 -0.147 0.000 1.083 196 L CA 1.343 56.062 54.840 -0.201 0.000 0.752 196 L CB -0.409 41.379 42.059 -0.451 0.000 0.899 196 L HN 0.218 nan 8.230 nan 0.000 0.433 197 K N -0.066 120.282 120.400 -0.088 0.000 2.097 197 K HA -0.073 4.261 4.320 0.023 0.000 0.205 197 K C 2.218 178.817 176.600 -0.002 0.000 1.050 197 K CA 1.155 57.428 56.287 -0.022 0.000 0.938 197 K CB -0.173 32.328 32.500 0.001 0.000 0.718 197 K HN 0.259 nan 8.250 nan 0.000 0.442 198 A N 1.679 124.496 122.820 -0.005 0.000 1.969 198 A HA -0.155 4.179 4.320 0.023 0.000 0.218 198 A C 1.878 179.466 177.584 0.007 0.000 1.169 198 A CA 1.270 53.314 52.037 0.011 0.000 0.635 198 A CB -0.161 18.851 19.000 0.020 0.000 0.810 198 A HN 0.145 nan 8.150 nan 0.000 0.445 199 E N -0.075 120.111 120.200 -0.023 0.000 2.072 199 E HA -0.102 4.262 4.350 0.023 0.000 0.191 199 E C 2.176 178.745 176.600 -0.052 0.000 0.985 199 E CA 1.381 57.743 56.400 -0.064 0.000 0.801 199 E CB -0.523 29.062 29.700 -0.193 0.000 0.750 199 E HN 0.412 nan 8.360 nan 0.000 0.452 200 V N 0.286 120.183 119.914 -0.028 0.000 2.453 200 V HA -0.052 4.082 4.120 0.023 0.000 0.247 200 V C 1.638 177.805 176.094 0.122 0.000 1.048 200 V CA 1.128 63.474 62.300 0.076 0.000 1.049 200 V CB -1.125 30.800 31.823 0.170 0.000 0.672 200 V HN 0.436 nan 8.190 nan 0.000 0.457 201 G N 0.854 109.700 108.800 0.077 0.000 2.582 201 G HA2 -0.343 3.631 3.960 0.023 0.000 0.288 201 G HA3 -0.343 3.631 3.960 0.023 0.000 0.288 201 G C 0.256 175.206 174.900 0.082 0.000 1.247 201 G CA 0.460 45.601 45.100 0.069 0.000 0.972 201 G HN 0.380 nan 8.290 nan 0.000 0.557 202 D N 1.904 122.341 120.400 0.062 0.000 2.349 202 D HA 0.281 4.935 4.640 0.023 0.000 0.224 202 D C 1.578 177.896 176.300 0.030 0.000 1.029 202 D CA 1.002 55.029 54.000 0.046 0.000 0.879 202 D CB -0.550 40.266 40.800 0.026 0.000 0.906 202 D HN 0.751 nan 8.370 nan 0.000 0.528 203 G N 0.557 109.396 108.800 0.065 0.000 2.491 203 G HA2 0.351 4.325 3.960 0.023 0.000 0.238 203 G HA3 0.351 4.325 3.960 0.023 0.000 0.238 203 G C -0.058 174.802 174.900 -0.067 0.000 1.277 203 G CA -0.260 44.831 45.100 -0.015 0.000 0.851 203 G HN 0.136 nan 8.290 nan 0.000 0.573 204 I N 0.628 120.964 120.570 -0.391 0.000 2.465 204 I HA 0.386 4.570 4.170 0.023 0.000 0.291 204 I C -1.122 174.523 176.117 -0.785 0.000 1.014 204 I CA -0.563 60.521 61.300 -0.360 0.000 1.093 204 I CB 2.107 39.980 38.000 -0.212 0.000 1.267 204 I HN 0.472 nan 8.210 nan 0.000 0.431 205 W N 4.311 125.251 121.300 -0.600 0.000 2.883 205 W HA 0.494 5.169 4.660 0.024 0.000 0.335 205 W C -0.588 175.569 176.519 -0.603 0.000 1.083 205 W CA -0.419 56.510 57.345 -0.693 0.000 1.233 205 W CB 1.552 30.345 29.460 -1.111 0.000 1.412 205 W HN 0.311 nan 8.180 nan 0.000 0.490 206 Q N 1.333 121.055 119.800 -0.130 0.000 2.259 206 Q HA 0.523 4.877 4.340 0.023 0.000 0.249 206 Q C -0.706 175.310 176.000 0.026 0.000 0.914 206 Q CA -0.672 55.110 55.803 -0.035 0.000 0.904 206 Q CB 1.850 30.591 28.738 0.004 0.000 1.213 206 Q HN 0.226 nan 8.270 nan 0.000 0.428 207 V N 3.252 123.204 119.914 0.064 0.000 2.334 207 V HA 0.271 4.405 4.120 0.023 0.000 0.281 207 V C -0.473 175.595 176.094 -0.043 0.000 1.016 207 V CA -0.639 61.679 62.300 0.030 0.000 0.832 207 V CB 1.403 33.270 31.823 0.074 0.000 0.999 207 V HN 0.500 nan 8.190 nan 0.000 0.439 208 V N 6.601 126.464 119.914 -0.085 0.000 2.435 208 V HA 0.551 4.685 4.120 0.023 0.000 0.290 208 V C 0.113 176.082 176.094 -0.209 0.000 1.030 208 V CA -0.704 61.529 62.300 -0.111 0.000 0.881 208 V CB 1.755 33.559 31.823 -0.031 0.000 0.983 208 V HN 0.783 nan 8.190 nan 0.000 0.445 209 R N 5.171 125.472 120.500 -0.333 0.000 2.409 209 R HA 0.567 4.921 4.340 0.023 0.000 0.313 209 R C -0.368 175.756 176.300 -0.292 0.000 0.953 209 R CA -0.554 55.323 56.100 -0.371 0.000 0.849 209 R CB 2.112 32.066 30.300 -0.577 0.000 1.171 209 R HN 0.839 nan 8.270 nan 0.000 0.458 210 I N -0.121 120.283 120.570 -0.277 0.000 3.021 210 I HA 0.509 4.693 4.170 0.023 0.000 0.303 210 I C -2.306 173.575 176.117 -0.392 0.000 1.044 210 I CA -2.727 58.319 61.300 -0.425 0.000 1.266 210 I CB 0.667 38.255 38.000 -0.688 0.000 1.447 210 I HN 0.245 nan 8.210 nan 0.000 0.593 211 P HA 0.139 nan 4.420 nan 0.000 0.271 211 P C 0.192 177.342 177.300 -0.250 0.000 1.216 211 P CA -0.104 62.824 63.100 -0.286 0.000 0.771 211 P CB 0.881 32.414 31.700 -0.278 0.000 0.864 212 T N 2.475 116.948 114.554 -0.134 0.000 2.759 212 T HA -0.176 4.188 4.350 0.023 0.000 0.269 212 T C 1.608 176.254 174.700 -0.089 0.000 1.042 212 T CA 1.104 63.148 62.100 -0.094 0.000 1.140 212 T CB -0.692 68.166 68.868 -0.016 0.000 0.864 212 T HN 0.425 nan 8.240 nan 0.000 0.455 213 I N 0.774 121.296 120.570 -0.080 0.000 2.361 213 I HA -0.144 4.040 4.170 0.023 0.000 0.251 213 I C 2.060 178.126 176.117 -0.085 0.000 1.133 213 I CA 1.005 62.272 61.300 -0.054 0.000 1.413 213 I CB 0.041 38.021 38.000 -0.032 0.000 1.073 213 I HN 0.071 nan 8.210 nan 0.000 0.424 214 V N -0.462 119.343 119.914 -0.182 0.000 2.407 214 V HA -0.215 3.919 4.120 0.023 0.000 0.245 214 V C 2.499 178.497 176.094 -0.159 0.000 1.041 214 V CA 1.859 64.029 62.300 -0.218 0.000 1.040 214 V CB -0.275 31.208 31.823 -0.566 0.000 0.671 214 V HN 0.446 nan 8.190 nan 0.000 0.455 215 S N -0.439 115.149 115.700 -0.186 0.000 2.370 215 S HA -0.212 4.272 4.470 0.023 0.000 0.226 215 S C 2.194 176.768 174.600 -0.043 0.000 1.033 215 S CA 1.663 59.787 58.200 -0.126 0.000 1.011 215 S CB -0.184 62.911 63.200 -0.175 0.000 0.852 215 S HN 0.538 nan 8.310 nan 0.000 0.457 216 R N -0.216 120.266 120.500 -0.030 0.000 2.066 216 R HA -0.019 4.335 4.340 0.023 0.000 0.232 216 R C 2.471 178.789 176.300 0.029 0.000 1.131 216 R CA 1.800 57.912 56.100 0.021 0.000 0.955 216 R CB -0.847 29.468 30.300 0.026 0.000 0.851 216 R HN 0.352 nan 8.270 nan 0.000 0.432 217 T N 0.192 114.755 114.554 0.014 0.000 2.833 217 T HA -0.110 4.254 4.350 0.023 0.000 0.269 217 T C 1.470 176.196 174.700 0.044 0.000 1.054 217 T CA 0.955 63.073 62.100 0.030 0.000 1.135 217 T CB -0.018 68.867 68.868 0.029 0.000 0.869 217 T HN 0.289 nan 8.240 nan 0.000 0.466 218 C N 0.654 119.980 119.300 0.042 0.000 2.619 218 C HA 0.602 5.076 4.460 0.023 0.000 0.073 218 C C -0.126 174.913 174.990 0.083 0.000 2.364 218 C CA -0.524 58.534 59.018 0.066 0.000 1.846 218 C CB 0.661 28.446 27.740 0.075 0.000 2.824 218 C HN 0.703 nan 8.230 nan 0.000 0.336 219 D N -1.125 119.332 120.400 0.095 0.000 2.677 219 D HA 0.315 4.969 4.640 0.023 0.000 0.298 219 D C 0.577 176.950 176.300 0.123 0.000 1.250 219 D CA 0.192 54.277 54.000 0.142 0.000 0.888 219 D CB 0.457 41.356 40.800 0.165 0.000 1.397 219 D HN 0.483 nan 8.370 nan 0.000 0.461 220 G N -0.492 108.413 108.800 0.176 0.000 2.443 220 G HA2 0.026 4.000 3.960 0.023 0.000 0.219 220 G HA3 0.026 4.000 3.960 0.023 0.000 0.219 220 G C 1.274 176.246 174.900 0.120 0.000 1.131 220 G CA 1.063 46.239 45.100 0.127 0.000 0.775 220 G HN 0.704 nan 8.290 nan 0.000 0.547 221 A N 0.159 123.054 122.820 0.125 0.000 2.168 221 A HA 0.116 4.450 4.320 0.023 0.000 0.215 221 A C 2.385 180.047 177.584 0.130 0.000 1.152 221 A CA 1.950 54.053 52.037 0.109 0.000 0.716 221 A CB -0.507 18.545 19.000 0.086 0.000 0.794 221 A HN 0.249 nan 8.150 nan 0.000 0.465 222 T N -0.220 114.410 114.554 0.127 0.000 2.867 222 T HA -0.096 4.268 4.350 0.023 0.000 0.268 222 T C 1.974 176.779 174.700 0.176 0.000 1.057 222 T CA 1.837 64.030 62.100 0.154 0.000 1.136 222 T CB -0.330 68.618 68.868 0.132 0.000 0.874 222 T HN 0.553 nan 8.240 nan 0.000 0.466 223 T N 2.254 116.883 114.554 0.125 0.000 2.674 223 T HA -0.128 4.236 4.350 0.023 0.000 0.265 223 T C 2.461 177.255 174.700 0.156 0.000 1.039 223 T CA 1.732 63.891 62.100 0.098 0.000 1.150 223 T CB -0.454 68.442 68.868 0.047 0.000 0.864 223 T HN 0.612 nan 8.240 nan 0.000 0.427 224 S N 1.555 117.364 115.700 0.182 0.000 2.428 224 S HA 0.007 4.491 4.470 0.023 0.000 0.230 224 S C 2.009 176.699 174.600 0.150 0.000 1.014 224 S CA 0.371 58.653 58.200 0.135 0.000 0.957 224 S CB -0.289 62.996 63.200 0.143 0.000 0.784 224 S HN 0.420 nan 8.310 nan 0.000 0.499 225 R N -0.077 120.532 120.500 0.181 0.000 2.066 225 R HA -0.008 4.346 4.340 0.023 0.000 0.232 225 R C 2.183 178.586 176.300 0.170 0.000 1.131 225 R CA 1.355 57.546 56.100 0.151 0.000 0.955 225 R CB -0.456 29.930 30.300 0.144 0.000 0.851 225 R HN 0.575 nan 8.270 nan 0.000 0.432 226 W N 1.745 123.061 121.300 0.027 0.000 2.335 226 W HA -0.199 4.475 4.660 0.023 0.000 0.311 226 W C 2.240 178.759 176.519 0.001 0.000 1.213 226 W CA 1.902 59.254 57.345 0.012 0.000 1.274 226 W CB -0.723 28.741 29.460 0.006 0.000 1.148 226 W HN 0.076 nan 8.180 nan 0.000 0.498 227 S N 0.806 116.716 115.700 0.351 0.000 2.365 227 S HA -0.223 4.261 4.470 0.023 0.000 0.225 227 S C 2.136 176.797 174.600 0.102 0.000 1.039 227 S CA 2.653 60.975 58.200 0.204 0.000 1.033 227 S CB -0.767 62.504 63.200 0.118 0.000 0.887 227 S HN 0.257 nan 8.310 nan 0.000 0.447 228 A N 1.523 124.391 122.820 0.080 0.000 1.969 228 A HA 0.037 4.371 4.320 0.023 0.000 0.218 228 A C 2.276 179.873 177.584 0.021 0.000 1.169 228 A CA 1.601 53.669 52.037 0.051 0.000 0.635 228 A CB -0.557 18.476 19.000 0.054 0.000 0.810 228 A HN 0.565 nan 8.150 nan 0.000 0.445 229 M N -0.481 119.104 119.600 -0.026 0.000 2.117 229 M HA -0.122 4.372 4.480 0.023 0.000 0.262 229 M C 2.056 178.301 176.300 -0.093 0.000 1.065 229 M CA 1.322 56.571 55.300 -0.085 0.000 1.114 229 M CB -1.305 31.180 32.600 -0.193 0.000 1.361 229 M HN 0.397 nan 8.290 nan 0.000 0.408 230 Q N -0.379 119.361 119.800 -0.101 0.000 2.250 230 Q HA 0.156 4.510 4.340 0.023 0.000 0.200 230 Q C 2.264 178.252 176.000 -0.021 0.000 0.941 230 Q CA 0.734 56.484 55.803 -0.087 0.000 0.872 230 Q CB -0.168 28.513 28.738 -0.094 0.000 0.965 230 Q HN 0.532 nan 8.270 nan 0.000 0.480 231 I N 0.716 121.306 120.570 0.035 0.000 2.163 231 I HA -0.252 3.932 4.170 0.023 0.000 0.243 231 I C 2.252 178.415 176.117 0.077 0.000 1.085 231 I CA 1.490 62.862 61.300 0.119 0.000 1.347 231 I CB -0.606 37.465 38.000 0.119 0.000 1.044 231 I HN 0.235 nan 8.210 nan 0.000 0.408 232 G N 0.574 109.387 108.800 0.022 0.000 2.446 232 G HA2 -0.241 3.733 3.960 0.023 0.000 0.217 232 G HA3 -0.241 3.733 3.960 0.023 0.000 0.217 232 G C 1.616 176.487 174.900 -0.048 0.000 1.168 232 G CA 0.541 45.631 45.100 -0.018 0.000 0.771 232 G HN 0.123 nan 8.290 nan 0.000 0.551 233 M N 1.194 120.771 119.600 -0.039 0.000 2.159 233 M HA 0.009 4.503 4.480 0.023 0.000 0.263 233 M C 2.659 178.939 176.300 -0.035 0.000 1.063 233 M CA 1.061 56.334 55.300 -0.044 0.000 1.110 233 M CB -1.116 31.450 32.600 -0.057 0.000 1.374 233 M HN 0.168 nan 8.290 nan 0.000 0.411 234 S N -0.243 115.447 115.700 -0.015 0.000 2.436 234 S HA 0.056 4.540 4.470 0.023 0.000 0.228 234 S C 1.920 176.604 174.600 0.140 0.000 1.014 234 S CA 0.631 58.817 58.200 -0.024 0.000 0.950 234 S CB 0.042 63.139 63.200 -0.170 0.000 0.784 234 S HN 0.353 nan 8.310 nan 0.000 0.504 235 M N 1.087 120.770 119.600 0.139 0.000 2.099 235 M HA 0.029 4.523 4.480 0.023 0.000 0.262 235 M C 2.027 178.291 176.300 -0.060 0.000 1.067 235 M CA 1.341 56.631 55.300 -0.017 0.000 1.124 235 M CB -1.160 31.092 32.600 -0.579 0.000 1.353 235 M HN 0.296 nan 8.290 nan 0.000 0.410 236 I N -0.547 119.958 120.570 -0.108 0.000 2.163 236 I HA -0.314 3.870 4.170 0.023 0.000 0.243 236 I C 2.773 178.886 176.117 -0.007 0.000 1.085 236 I CA 1.462 62.728 61.300 -0.057 0.000 1.347 236 I CB -0.358 37.614 38.000 -0.047 0.000 1.044 236 I HN 0.312 nan 8.210 nan 0.000 0.408 237 S N 0.137 115.828 115.700 -0.013 0.000 2.371 237 S HA -0.060 4.424 4.470 0.023 0.000 0.224 237 S C 2.101 176.691 174.600 -0.017 0.000 1.029 237 S CA 1.202 59.391 58.200 -0.019 0.000 0.978 237 S CB -0.131 63.041 63.200 -0.046 0.000 0.833 237 S HN 0.444 nan 8.310 nan 0.000 0.466 238 A N -0.685 122.107 122.820 -0.045 0.000 2.016 238 A HA 0.193 4.527 4.320 0.023 0.000 0.217 238 A C 1.384 178.809 177.584 -0.265 0.000 1.162 238 A CA 0.792 52.743 52.037 -0.142 0.000 0.662 238 A CB -0.520 18.347 19.000 -0.221 0.000 0.812 238 A HN 0.686 nan 8.150 nan 0.000 0.450 239 Y N -0.891 119.433 120.300 0.040 0.000 2.507 239 Y HA 0.247 4.811 4.550 0.023 0.000 0.254 239 Y C 0.316 176.222 175.900 0.011 0.000 1.171 239 Y CA -0.188 57.925 58.100 0.021 0.000 1.238 239 Y CB 0.250 38.702 38.460 -0.013 0.000 1.148 239 Y HN 0.235 nan 8.280 nan 0.000 0.525 240 K N 0.845 121.301 120.400 0.093 0.000 3.125 240 K HA -0.247 4.087 4.320 0.023 0.000 0.268 240 K C -0.342 176.298 176.600 0.066 0.000 1.078 240 K CA 0.346 56.670 56.287 0.062 0.000 0.775 240 K CB -1.480 31.048 32.500 0.046 0.000 1.253 240 K HN 0.531 nan 8.250 nan 0.000 0.486 241 Q N -0.087 119.752 119.800 0.064 0.000 2.443 241 Q HA 0.401 4.755 4.340 0.023 0.000 0.232 241 Q C 0.573 176.596 176.000 0.039 0.000 1.026 241 Q CA 0.074 55.912 55.803 0.058 0.000 0.924 241 Q CB 0.658 29.420 28.738 0.041 0.000 1.256 241 Q HN 0.420 nan 8.270 nan 0.000 0.519 242 A N 0.765 123.609 122.820 0.039 0.000 2.498 242 A HA 0.299 4.633 4.320 0.023 0.000 0.239 242 A C 0.071 177.670 177.584 0.025 0.000 1.068 242 A CA 0.333 52.386 52.037 0.028 0.000 0.766 242 A CB 0.059 19.076 19.000 0.028 0.000 1.003 242 A HN 0.732 nan 8.150 nan 0.000 0.497 243 A N 2.226 125.056 122.820 0.016 0.000 3.026 243 A HA 0.519 4.853 4.320 0.023 0.000 0.272 243 A C 1.059 178.651 177.584 0.014 0.000 1.782 243 A CA 0.449 52.492 52.037 0.010 0.000 1.451 243 A CB -1.470 17.532 19.000 0.004 0.000 1.081 243 A HN 2.660 nan 8.150 nan 0.000 0.611 244 G N 1.432 110.246 108.800 0.023 0.000 2.740 244 G HA2 0.072 4.046 3.960 0.023 0.000 0.267 244 G HA3 0.072 4.046 3.960 0.023 0.000 0.267 244 G C -0.678 174.241 174.900 0.032 0.000 0.971 244 G CA -0.167 44.950 45.100 0.029 0.000 1.288 244 G HN 1.063 nan 8.290 nan 0.000 0.615 245 E N 0.073 120.301 120.200 0.046 0.000 2.370 245 E HA 0.822 5.186 4.350 0.023 0.000 0.259 245 E C 1.486 178.114 176.600 0.046 0.000 0.947 245 E CA -0.531 55.894 56.400 0.041 0.000 0.809 245 E CB 1.192 30.918 29.700 0.044 0.000 1.300 245 E HN 0.874 nan 8.360 nan 0.000 0.419 246 A N 0.833 123.670 122.820 0.030 0.000 1.948 246 A HA -0.217 4.117 4.320 0.023 0.000 0.220 246 A C 2.225 179.826 177.584 0.027 0.000 1.177 246 A CA 2.417 54.465 52.037 0.018 0.000 0.636 246 A CB -1.251 17.748 19.000 -0.001 0.000 0.815 246 A HN 0.704 nan 8.150 nan 0.000 0.449 247 A N -1.114 121.735 122.820 0.048 0.000 2.067 247 A HA -0.023 4.311 4.320 0.023 0.000 0.219 247 A C 2.168 179.848 177.584 0.161 0.000 1.158 247 A CA 2.005 54.074 52.037 0.055 0.000 0.661 247 A CB -1.156 17.891 19.000 0.079 0.000 0.801 247 A HN 0.457 nan 8.150 nan 0.000 0.452 248 T N -0.073 114.610 114.554 0.214 0.000 2.778 248 T HA -0.114 4.250 4.350 0.023 0.000 0.269 248 T C 1.859 176.703 174.700 0.240 0.000 1.050 248 T CA 1.431 63.706 62.100 0.291 0.000 1.137 248 T CB -0.473 68.481 68.868 0.143 0.000 0.860 248 T HN 0.591 nan 8.240 nan 0.000 0.468 249 G N 1.129 110.001 108.800 0.121 0.000 2.448 249 G HA2 -0.158 3.816 3.960 0.023 0.000 0.218 249 G HA3 -0.158 3.816 3.960 0.023 0.000 0.218 249 G C 1.263 176.205 174.900 0.069 0.000 1.135 249 G CA 0.519 45.669 45.100 0.083 0.000 0.784 249 G HN 0.373 nan 8.290 nan 0.000 0.543 250 D N 0.423 120.812 120.400 -0.017 0.000 2.183 250 D HA -0.033 4.621 4.640 0.023 0.000 0.203 250 D C 2.069 178.302 176.300 -0.112 0.000 0.969 250 D CA 0.396 54.331 54.000 -0.108 0.000 0.842 250 D CB -0.269 40.350 40.800 -0.300 0.000 0.957 250 D HN 0.353 nan 8.370 nan 0.000 0.484 251 F N 1.522 121.484 119.950 0.020 0.000 2.171 251 F HA -0.095 4.446 4.527 0.023 0.000 0.300 251 F C 2.477 178.292 175.800 0.024 0.000 1.090 251 F CA 0.893 58.895 58.000 0.003 0.000 1.293 251 F CB -0.624 38.369 39.000 -0.012 0.000 1.013 251 F HN -0.079 nan 8.300 nan 0.000 0.486 252 A N -0.719 122.239 122.820 0.230 0.000 1.873 252 A HA -0.243 4.091 4.320 0.023 0.000 0.215 252 A C 2.070 179.742 177.584 0.147 0.000 1.186 252 A CA 1.505 53.636 52.037 0.157 0.000 0.616 252 A CB -1.435 17.646 19.000 0.136 0.000 0.823 252 A HN 0.455 nan 8.150 nan 0.000 0.442 253 Y N 0.640 120.958 120.300 0.030 0.000 2.242 253 Y HA -0.045 4.519 4.550 0.023 0.000 0.291 253 Y C 2.612 178.527 175.900 0.025 0.000 1.137 253 Y CA 1.033 59.142 58.100 0.016 0.000 1.181 253 Y CB -0.446 38.005 38.460 -0.016 0.000 0.989 253 Y HN 0.306 nan 8.280 nan 0.000 0.527 254 A N 0.181 123.023 122.820 0.037 0.000 1.898 254 A HA -0.049 4.285 4.320 0.023 0.000 0.216 254 A C 2.378 179.929 177.584 -0.056 0.000 1.181 254 A CA 1.715 53.743 52.037 -0.014 0.000 0.620 254 A CB -1.382 17.645 19.000 0.045 0.000 0.819 254 A HN 0.537 nan 8.150 nan 0.000 0.442 255 A N -0.756 122.057 122.820 -0.011 0.000 2.014 255 A HA 0.076 4.410 4.320 0.023 0.000 0.218 255 A C 1.414 178.977 177.584 -0.035 0.000 1.163 255 A CA 0.979 53.007 52.037 -0.015 0.000 0.652 255 A CB -0.097 18.924 19.000 0.035 0.000 0.808 255 A HN 0.524 nan 8.150 nan 0.000 0.449 259 E N -0.082 120.099 120.200 -0.033 0.000 3.067 259 E HA 0.473 4.837 4.350 0.023 0.000 0.188 259 E C -0.561 176.063 176.600 0.040 0.000 0.964 259 E CA -0.132 56.242 56.400 -0.044 0.000 1.286 259 E CB 0.559 30.053 29.700 -0.343 0.000 1.051 259 E HN 0.271 nan 8.360 nan 0.000 0.465 260 V N 1.794 121.700 119.914 -0.012 0.000 2.567 260 V HA 0.366 4.500 4.120 0.023 0.000 0.289 260 V C -0.708 175.353 176.094 -0.055 0.000 1.049 260 V CA -0.721 61.538 62.300 -0.069 0.000 0.969 260 V CB 1.286 32.988 31.823 -0.202 0.000 0.995 260 V HN 0.281 nan 8.190 nan 0.000 0.471 261 I N 6.102 126.626 120.570 -0.077 0.000 2.411 261 I HA 0.421 4.605 4.170 0.023 0.000 0.284 261 I C -0.051 176.034 176.117 -0.054 0.000 1.012 261 I CA -0.361 60.911 61.300 -0.047 0.000 1.119 261 I CB 0.874 38.812 38.000 -0.103 0.000 1.261 261 I HN 0.699 nan 8.210 nan 0.000 0.448 262 H N 5.101 124.234 119.070 0.107 0.000 2.607 262 H HA 0.293 4.863 4.556 0.023 0.000 0.367 262 H C 1.217 176.664 175.328 0.198 0.000 1.181 262 H CA -0.407 55.713 56.048 0.120 0.000 1.402 262 H CB 1.341 31.165 29.762 0.102 0.000 1.474 262 H HN 0.403 nan 8.280 nan 0.000 0.596 263 M N 0.900 120.691 119.600 0.319 0.000 2.200 263 M HA 0.104 4.598 4.480 0.023 0.000 0.265 263 M C 0.995 177.454 176.300 0.265 0.000 1.066 263 M CA 0.732 56.233 55.300 0.336 0.000 1.127 263 M CB -0.406 32.339 32.600 0.240 0.000 1.379 263 M HN 0.682 nan 8.290 nan 0.000 0.420 264 G N 0.142 109.041 108.800 0.166 0.000 2.620 264 G HA2 0.532 4.506 3.960 0.023 0.000 0.301 264 G HA3 0.532 4.506 3.960 0.023 0.000 0.301 264 G C -0.697 174.181 174.900 -0.036 0.000 1.347 264 G CA -0.496 44.610 45.100 0.010 0.000 0.971 264 G HN 0.224 nan 8.290 nan 0.000 0.488 265 T N -1.215 113.261 114.554 -0.130 0.000 2.918 265 T HA 0.568 4.932 4.350 0.023 0.000 0.283 265 T C 0.290 174.873 174.700 -0.194 0.000 1.001 265 T CA -0.620 61.371 62.100 -0.182 0.000 1.041 265 T CB 1.062 69.778 68.868 -0.253 0.000 1.028 265 T HN 0.738 nan 8.240 nan 0.000 0.511 266 Y N 0.596 120.832 120.300 -0.107 0.000 2.385 266 Y HA 0.628 5.192 4.550 0.024 0.000 0.346 266 Y C -0.481 175.391 175.900 -0.046 0.000 1.270 266 Y CA -1.502 56.557 58.100 -0.068 0.000 1.472 266 Y CB 0.075 38.504 38.460 -0.052 0.000 1.354 266 Y HN 0.559 nan 8.280 nan 0.000 0.611 267 L N 2.476 123.812 121.223 0.188 0.000 2.322 267 L HA 0.534 4.888 4.340 0.023 0.000 0.269 267 L C -2.089 174.888 176.870 0.178 0.000 1.012 267 L CA -2.394 52.505 54.840 0.098 0.000 0.815 267 L CB 1.748 43.881 42.059 0.124 0.000 1.295 267 L HN 0.541 nan 8.230 nan 0.000 0.438 268 P HA 0.069 nan 4.420 nan 0.000 0.272 268 P C 0.859 178.218 177.300 0.098 0.000 1.240 268 P CA -0.442 62.719 63.100 0.102 0.000 0.791 268 P CB 0.827 32.553 31.700 0.044 0.000 0.978 269 V N 0.202 120.162 119.914 0.078 0.000 2.332 269 V HA -0.205 3.929 4.120 0.023 0.000 0.248 269 V C 1.826 177.954 176.094 0.056 0.000 1.055 269 V CA 1.592 63.930 62.300 0.063 0.000 1.038 269 V CB -0.833 31.015 31.823 0.042 0.000 0.651 269 V HN 0.600 nan 8.190 nan 0.000 0.450 273 R N 0.305 120.916 120.500 0.185 0.000 2.634 273 R HA 0.610 4.964 4.340 0.023 0.000 0.263 273 R C 0.546 176.951 176.300 0.175 0.000 1.060 273 R CA 0.191 56.414 56.100 0.205 0.000 0.898 273 R CB 1.878 32.332 30.300 0.258 0.000 1.253 273 R HN 1.404 nan 8.270 nan 0.000 0.461 274 G N 0.719 109.610 108.800 0.151 0.000 2.494 274 G HA2 0.251 4.225 3.960 0.023 0.000 0.270 274 G HA3 0.251 4.225 3.960 0.023 0.000 0.270 274 G C -0.618 174.346 174.900 0.107 0.000 1.423 274 G CA -0.342 44.831 45.100 0.122 0.000 1.055 274 G HN 0.492 nan 8.290 nan 0.000 0.536 275 E N -0.772 119.447 120.200 0.031 0.000 2.410 275 E HA 0.198 4.562 4.350 0.023 0.000 0.255 275 E C 0.248 176.879 176.600 0.051 0.000 1.194 275 E CA 0.091 56.455 56.400 -0.060 0.000 0.955 275 E CB 0.191 29.623 29.700 -0.446 0.000 0.988 275 E HN 0.398 nan 8.360 nan 0.000 0.461 276 N N 0.946 119.692 118.700 0.077 0.000 2.740 276 N HA -0.165 4.589 4.740 0.023 0.000 0.248 276 N C -1.319 174.362 175.510 0.285 0.000 1.062 276 N CA 0.854 54.006 53.050 0.170 0.000 0.704 276 N CB -0.702 37.872 38.487 0.145 0.000 0.968 276 N HN 0.330 nan 8.380 nan 0.000 0.547 277 E N -1.387 118.923 120.200 0.184 0.000 2.281 277 E HA 0.374 4.738 4.350 0.023 0.000 0.262 277 E C -1.593 174.817 176.600 -0.316 0.000 0.933 277 E CA -1.772 54.694 56.400 0.110 0.000 0.809 277 E CB 0.870 30.581 29.700 0.019 0.000 1.242 277 E HN -0.091 nan 8.360 nan 0.000 0.418 278 P HA -0.081 nan 4.420 nan 0.000 0.217 278 P C 1.214 177.810 177.300 -1.173 0.000 1.150 278 P CA 1.388 63.854 63.100 -1.057 0.000 0.832 278 P CB 0.189 31.160 31.700 -1.215 0.000 0.787 279 G N -0.476 107.102 108.800 -2.036 0.000 2.470 279 G HA2 -0.150 3.824 3.960 0.023 0.000 0.220 279 G HA3 -0.150 3.824 3.960 0.023 0.000 0.220 279 G C 1.537 176.043 174.900 -0.658 0.000 1.121 279 G CA 0.761 44.952 45.100 -1.515 0.000 0.766 279 G HN 0.394 nan 8.290 nan 0.000 0.553 280 G N -0.434 108.067 108.800 -0.497 0.000 2.985 280 G HA2 0.265 4.240 3.960 0.023 0.000 0.209 280 G HA3 0.265 4.240 3.960 0.023 0.000 0.209 280 G C 0.224 174.966 174.900 -0.264 0.000 1.165 280 G CA -0.056 44.859 45.100 -0.308 0.000 0.776 280 G HN 0.238 nan 8.290 nan 0.000 0.541 281 V N 3.737 123.516 119.914 -0.225 0.000 2.389 281 V HA 0.223 4.357 4.120 0.023 0.000 0.264 281 V C -1.673 174.316 176.094 -0.176 0.000 1.049 281 V CA -1.730 60.508 62.300 -0.104 0.000 0.932 281 V CB 1.356 33.208 31.823 0.049 0.000 1.011 281 V HN 0.109 nan 8.190 nan 0.000 0.475 282 P HA 0.174 nan 4.420 nan 0.000 0.272 282 P C 0.565 177.792 177.300 -0.121 0.000 1.230 282 P CA -0.263 62.609 63.100 -0.381 0.000 0.788 282 P CB 0.707 32.195 31.700 -0.353 0.000 0.949 283 F N 0.759 120.702 119.950 -0.012 0.000 2.216 283 F HA -0.055 4.486 4.527 0.024 0.000 0.300 283 F C 2.627 178.493 175.800 0.110 0.000 1.085 283 F CA 1.813 59.855 58.000 0.071 0.000 1.326 283 F CB -2.052 36.936 39.000 -0.020 0.000 1.027 283 F HN 0.396 nan 8.300 nan 0.000 0.497 284 G N -1.275 107.669 108.800 0.240 0.000 2.422 284 G HA2 -0.267 3.707 3.960 0.023 0.000 0.218 284 G HA3 -0.267 3.707 3.960 0.023 0.000 0.218 284 G C 1.524 176.721 174.900 0.495 0.000 1.146 284 G CA 0.585 45.887 45.100 0.335 0.000 0.769 284 G HN 0.259 nan 8.290 nan 0.000 0.547 285 Y N 0.086 120.566 120.300 0.298 0.000 2.242 285 Y HA 0.069 4.632 4.550 0.023 0.000 0.291 285 Y C 2.647 178.584 175.900 0.062 0.000 1.137 285 Y CA -0.206 57.982 58.100 0.146 0.000 1.181 285 Y CB -0.555 37.962 38.460 0.095 0.000 0.989 285 Y HN 0.065 nan 8.280 nan 0.000 0.527 286 L N -0.216 121.168 121.223 0.269 0.000 2.046 286 L HA -0.196 4.158 4.340 0.023 0.000 0.208 286 L C 2.241 179.165 176.870 0.092 0.000 1.077 286 L CA 2.143 57.055 54.840 0.119 0.000 0.747 286 L CB -1.221 40.952 42.059 0.189 0.000 0.896 286 L HN 0.234 nan 8.230 nan 0.000 0.432 287 A N -0.627 122.289 122.820 0.160 0.000 1.933 287 A HA -0.211 4.123 4.320 0.023 0.000 0.218 287 A C 1.848 179.496 177.584 0.106 0.000 1.175 287 A CA 1.753 53.869 52.037 0.131 0.000 0.628 287 A CB -0.458 18.636 19.000 0.155 0.000 0.814 287 A HN 0.486 nan 8.150 nan 0.000 0.444 288 D N -0.366 120.097 120.400 0.105 0.000 2.234 288 D HA 0.014 4.668 4.640 0.023 0.000 0.205 288 D C 1.815 178.102 176.300 -0.020 0.000 0.962 288 D CA 0.541 54.581 54.000 0.067 0.000 0.855 288 D CB -0.170 40.658 40.800 0.047 0.000 0.951 288 D HN 0.515 nan 8.370 nan 0.000 0.500 289 I N 0.558 121.031 120.570 -0.162 0.000 2.142 289 I HA -0.186 3.998 4.170 0.023 0.000 0.240 289 I C 1.448 177.424 176.117 -0.236 0.000 1.078 289 I CA 0.300 61.285 61.300 -0.525 0.000 1.343 289 I CB -0.064 37.450 38.000 -0.810 0.000 1.046 289 I HN 0.040 nan 8.210 nan 0.000 0.405 290 C N 2.685 121.971 119.300 -0.023 0.000 2.611 290 C HA -0.054 4.420 4.460 0.023 0.000 0.416 290 C C 1.557 176.637 174.990 0.151 0.000 1.366 290 C CA -0.057 59.048 59.018 0.145 0.000 1.761 290 C CB -0.001 27.804 27.740 0.109 0.000 2.619 290 C HN 0.424 nan 8.230 nan 0.000 0.606 291 Q N 3.118 123.042 119.800 0.208 0.000 2.198 291 Q HA 0.032 4.386 4.340 0.023 0.000 0.209 291 Q C 2.031 178.104 176.000 0.122 0.000 0.848 291 Q CA 0.298 56.201 55.803 0.166 0.000 0.974 291 Q CB 0.335 29.186 28.738 0.188 0.000 1.115 291 Q HN 0.945 nan 8.270 nan 0.000 0.494 292 S N 1.169 116.939 115.700 0.116 0.000 2.400 292 S HA -0.167 4.317 4.470 0.023 0.000 0.232 292 S C 2.026 176.697 174.600 0.118 0.000 1.025 292 S CA 1.780 60.033 58.200 0.090 0.000 0.993 292 S CB 0.106 63.350 63.200 0.073 0.000 0.808 292 S HN 0.585 nan 8.310 nan 0.000 0.478 293 S N 2.213 118.003 115.700 0.150 0.000 2.400 293 S HA -0.196 4.288 4.470 0.023 0.000 0.232 293 S C 1.793 176.552 174.600 0.264 0.000 1.025 293 S CA 1.214 59.531 58.200 0.196 0.000 0.993 293 S CB -0.685 62.636 63.200 0.200 0.000 0.808 293 S HN 0.859 nan 8.310 nan 0.000 0.478 294 R N 1.085 121.712 120.500 0.210 0.000 2.300 294 R HA 0.248 4.602 4.340 0.023 0.000 0.199 294 R C 1.758 178.221 176.300 0.272 0.000 0.920 294 R CA 0.806 57.022 56.100 0.193 0.000 1.046 294 R CB -0.327 29.873 30.300 -0.168 0.000 0.984 294 R HN 0.527 nan 8.270 nan 0.000 0.493 295 V N -3.229 116.802 119.914 0.196 0.000 3.307 295 V HA 0.267 4.401 4.120 0.023 0.000 0.244 295 V C 0.651 176.691 176.094 -0.090 0.000 1.196 295 V CA 0.035 62.391 62.300 0.093 0.000 1.132 295 V CB 0.122 31.959 31.823 0.023 0.000 0.875 295 V HN 0.153 nan 8.190 nan 0.000 0.468 296 N N 0.576 119.236 118.700 -0.068 0.000 2.389 296 N HA 0.213 4.967 4.740 0.023 0.000 0.260 296 N C 1.050 176.456 175.510 -0.173 0.000 1.191 296 N CA 0.310 53.266 53.050 -0.157 0.000 0.885 296 N CB 0.321 38.785 38.487 -0.039 0.000 1.162 296 N HN 0.837 nan 8.380 nan 0.000 0.512 297 Y N 0.177 120.499 120.300 0.036 0.000 2.403 297 Y HA 0.116 4.680 4.550 0.023 0.000 0.291 297 Y C 1.581 177.494 175.900 0.021 0.000 1.143 297 Y CA 0.586 58.709 58.100 0.038 0.000 1.257 297 Y CB -0.193 38.298 38.460 0.051 0.000 0.984 297 Y HN -0.123 nan 8.280 nan 0.000 0.550 298 E N 0.459 120.496 120.200 -0.273 0.000 2.478 298 E HA -0.082 4.282 4.350 0.023 0.000 0.198 298 E C -0.257 176.311 176.600 -0.054 0.000 1.046 298 E CA 0.745 57.090 56.400 -0.092 0.000 0.870 298 E CB -0.102 29.510 29.700 -0.147 0.000 0.818 298 E HN 0.495 nan 8.360 nan 0.000 0.527 299 D N -0.195 120.173 120.400 -0.054 0.000 2.375 299 D HA 0.119 4.773 4.640 0.023 0.000 0.259 299 D C -2.037 174.242 176.300 -0.035 0.000 1.235 299 D CA -2.134 51.856 54.000 -0.018 0.000 0.924 299 D CB 1.491 42.308 40.800 0.029 0.000 1.143 299 D HN -0.213 nan 8.370 nan 0.000 0.529 300 P HA -0.098 nan 4.420 nan 0.000 0.220 300 P C 1.650 178.900 177.300 -0.082 0.000 1.148 300 P CA 0.337 63.365 63.100 -0.119 0.000 0.803 300 P CB 0.692 32.198 31.700 -0.323 0.000 0.782 301 V N 0.870 120.669 119.914 -0.191 0.000 2.295 301 V HA -0.219 3.915 4.120 0.023 0.000 0.246 301 V C 2.870 178.912 176.094 -0.086 0.000 1.049 301 V CA 2.063 64.266 62.300 -0.162 0.000 1.024 301 V CB -1.113 30.274 31.823 -0.727 0.000 0.648 301 V HN 0.060 nan 8.190 nan 0.000 0.447 302 R N 0.528 121.004 120.500 -0.040 0.000 2.091 302 R HA -0.126 4.228 4.340 0.023 0.000 0.238 302 R C 1.981 178.306 176.300 0.042 0.000 1.136 302 R CA 1.983 58.103 56.100 0.033 0.000 0.959 302 R CB -1.126 29.214 30.300 0.067 0.000 0.856 302 R HN 0.334 nan 8.270 nan 0.000 0.437 303 V N 0.072 120.018 119.914 0.053 0.000 2.261 303 V HA -0.222 3.912 4.120 0.023 0.000 0.246 303 V C 2.199 178.349 176.094 0.094 0.000 1.047 303 V CA 2.260 64.608 62.300 0.081 0.000 1.015 303 V CB -0.607 31.279 31.823 0.105 0.000 0.642 303 V HN 0.403 nan 8.190 nan 0.000 0.446 304 S N -0.016 115.757 115.700 0.122 0.000 2.382 304 S HA -0.076 4.408 4.470 0.023 0.000 0.228 304 S C 1.854 176.502 174.600 0.079 0.000 1.027 304 S CA 1.408 59.683 58.200 0.124 0.000 0.991 304 S CB -0.298 63.018 63.200 0.193 0.000 0.823 304 S HN 0.452 nan 8.310 nan 0.000 0.469 305 L N 1.051 122.313 121.223 0.065 0.000 2.240 305 L HA -0.033 4.321 4.340 0.023 0.000 0.211 305 L C 1.872 178.774 176.870 0.052 0.000 1.106 305 L CA 0.770 55.643 54.840 0.056 0.000 0.793 305 L CB -0.576 41.510 42.059 0.045 0.000 0.927 305 L HN 0.177 nan 8.230 nan 0.000 0.446 306 D N 0.059 120.483 120.400 0.040 0.000 2.144 306 D HA -0.137 4.517 4.640 0.023 0.000 0.199 306 D C 2.311 178.624 176.300 0.021 0.000 0.984 306 D CA 1.019 55.026 54.000 0.011 0.000 0.834 306 D CB 0.036 40.843 40.800 0.012 0.000 0.955 306 D HN 0.092 nan 8.370 nan 0.000 0.465 307 V N 0.569 120.514 119.914 0.051 0.000 2.427 307 V HA -0.176 3.958 4.120 0.023 0.000 0.248 307 V C 2.631 178.757 176.094 0.054 0.000 1.051 307 V CA 0.822 63.157 62.300 0.058 0.000 1.048 307 V CB -0.295 31.574 31.823 0.076 0.000 0.666 307 V HN 0.054 nan 8.190 nan 0.000 0.456 308 V N 0.448 120.396 119.914 0.057 0.000 2.343 308 V HA -0.276 3.858 4.120 0.023 0.000 0.247 308 V C 2.716 178.879 176.094 0.114 0.000 1.051 308 V CA 2.061 64.402 62.300 0.068 0.000 1.036 308 V CB -1.112 30.754 31.823 0.072 0.000 0.654 308 V HN 0.565 nan 8.190 nan 0.000 0.451 309 A N -0.184 122.700 122.820 0.107 0.000 1.877 309 A HA -0.237 4.097 4.320 0.023 0.000 0.216 309 A C 2.410 180.060 177.584 0.110 0.000 1.186 309 A CA 2.569 54.677 52.037 0.119 0.000 0.620 309 A CB -1.051 17.918 19.000 -0.052 0.000 0.822 309 A HN 0.509 nan 8.150 nan 0.000 0.443 310 T N -0.297 114.276 114.554 0.032 0.000 2.684 310 T HA -0.078 4.286 4.350 0.023 0.000 0.267 310 T C 1.923 176.625 174.700 0.003 0.000 1.036 310 T CA 1.654 63.781 62.100 0.045 0.000 1.148 310 T CB -0.640 68.234 68.868 0.011 0.000 0.863 310 T HN 0.583 nan 8.240 nan 0.000 0.436 311 G N 0.608 109.402 108.800 -0.010 0.000 2.430 311 G HA2 0.140 4.114 3.960 0.023 0.000 0.216 311 G HA3 0.140 4.114 3.960 0.023 0.000 0.216 311 G C 1.816 176.765 174.900 0.083 0.000 1.146 311 G CA 0.721 45.771 45.100 -0.084 0.000 0.793 311 G HN 0.567 nan 8.290 nan 0.000 0.537 312 A N 0.624 123.537 122.820 0.154 0.000 1.902 312 A HA 0.021 4.355 4.320 0.023 0.000 0.217 312 A C 2.286 179.985 177.584 0.193 0.000 1.181 312 A CA 1.945 54.105 52.037 0.205 0.000 0.623 312 A CB -0.373 18.790 19.000 0.270 0.000 0.818 312 A HN 0.340 nan 8.150 nan 0.000 0.443 313 M N -0.593 119.098 119.600 0.151 0.000 2.064 313 M HA -0.091 4.403 4.480 0.023 0.000 0.260 313 M C 2.139 178.413 176.300 -0.044 0.000 1.073 313 M CA 1.989 57.300 55.300 0.018 0.000 1.124 313 M CB -0.898 31.547 32.600 -0.258 0.000 1.326 313 M HN 0.383 nan 8.290 nan 0.000 0.410 314 L N 0.140 121.296 121.223 -0.111 0.000 2.017 314 L HA -0.208 4.146 4.340 0.023 0.000 0.208 314 L C 2.020 178.827 176.870 -0.105 0.000 1.073 314 L CA 2.003 56.709 54.840 -0.223 0.000 0.745 314 L CB -1.194 40.637 42.059 -0.380 0.000 0.894 314 L HN 0.303 nan 8.230 nan 0.000 0.432 315 Y N -0.635 119.677 120.300 0.020 0.000 2.365 315 Y HA -0.039 4.525 4.550 0.023 0.000 0.293 315 Y C 2.370 178.379 175.900 0.182 0.000 1.119 315 Y CA 0.910 59.079 58.100 0.116 0.000 1.203 315 Y CB -0.515 38.017 38.460 0.121 0.000 1.026 315 Y HN 0.264 nan 8.280 nan 0.000 0.549 316 D N -0.981 119.588 120.400 0.282 0.000 2.216 316 D HA -0.050 4.604 4.640 0.023 0.000 0.208 316 D C 1.906 178.359 176.300 0.256 0.000 0.960 316 D CA 0.926 55.077 54.000 0.252 0.000 0.861 316 D CB -0.077 40.841 40.800 0.197 0.000 0.985 316 D HN 0.375 nan 8.370 nan 0.000 0.493 317 Q N -0.166 119.714 119.800 0.134 0.000 2.089 317 Q HA 0.136 4.490 4.340 0.023 0.000 0.195 317 Q C 2.205 178.095 176.000 -0.183 0.000 0.963 317 Q CA 0.625 56.460 55.803 0.054 0.000 0.834 317 Q CB 0.596 29.358 28.738 0.041 0.000 0.906 317 Q HN 0.259 nan 8.270 nan 0.000 0.452 318 I N -0.531 119.849 120.570 -0.316 0.000 2.494 318 I HA -0.124 4.060 4.170 0.023 0.000 0.250 318 I C 2.105 178.120 176.117 -0.170 0.000 1.112 318 I CA 0.499 61.431 61.300 -0.612 0.000 1.438 318 I CB -0.188 37.464 38.000 -0.580 0.000 1.111 318 I HN 0.392 nan 8.210 nan 0.000 0.431 319 W N 1.951 123.096 121.300 -0.258 0.000 2.424 319 W HA -0.117 4.557 4.660 0.023 0.000 0.323 319 W C 2.090 178.606 176.519 -0.005 0.000 1.175 319 W CA 1.043 58.276 57.345 -0.188 0.000 1.312 319 W CB -0.268 29.065 29.460 -0.211 0.000 1.186 319 W HN -0.034 nan 8.180 nan 0.000 0.463 320 L N 0.911 122.074 121.223 -0.099 0.000 2.156 320 L HA -0.036 4.318 4.340 0.023 0.000 0.208 320 L C 2.610 179.501 176.870 0.035 0.000 1.095 320 L CA 1.385 56.151 54.840 -0.123 0.000 0.770 320 L CB -1.304 40.836 42.059 0.135 0.000 0.914 320 L HN 0.163 nan 8.230 nan 0.000 0.439 321 G N -2.064 106.759 108.800 0.039 0.000 2.920 321 G HA2 -0.044 3.930 3.960 0.023 0.000 0.208 321 G HA3 -0.044 3.930 3.960 0.023 0.000 0.208 321 G C 1.389 176.122 174.900 -0.280 0.000 1.159 321 G CA 0.846 45.714 45.100 -0.387 0.000 0.784 321 G HN 0.314 nan 8.290 nan 0.000 0.535 322 S N -1.897 113.699 115.700 -0.174 0.000 3.952 322 S HA 0.124 4.609 4.470 0.023 0.000 0.211 322 S C 1.645 176.174 174.600 -0.117 0.000 1.098 322 S CA -0.128 58.013 58.200 -0.097 0.000 0.954 322 S CB -0.550 62.596 63.200 -0.090 0.000 1.222 322 S HN 0.127 nan 8.310 nan 0.000 0.585 323 Y N 1.809 121.957 120.300 -0.254 0.000 2.139 323 Y HA -0.024 4.540 4.550 0.024 0.000 0.282 323 Y C 2.221 177.883 175.900 -0.397 0.000 1.179 323 Y CA 1.641 59.578 58.100 -0.272 0.000 1.161 323 Y CB -0.064 38.225 38.460 -0.285 0.000 0.970 323 Y HN 0.290 nan 8.280 nan 0.000 0.511 324 M N -1.451 117.918 119.600 -0.384 0.000 2.371 324 M HA 0.163 4.657 4.480 0.023 0.000 0.246 324 M C 0.950 177.134 176.300 -0.194 0.000 1.103 324 M CA 0.573 55.647 55.300 -0.377 0.000 1.010 324 M CB -0.442 31.812 32.600 -0.577 0.000 1.457 324 M HN 0.370 nan 8.290 nan 0.000 0.486 325 S N -1.160 114.438 115.700 -0.170 0.000 5.444 325 S HA 0.725 5.209 4.470 0.023 0.000 0.141 325 S C 0.615 175.130 174.600 -0.141 0.000 1.258 325 S CA 0.306 58.422 58.200 -0.139 0.000 1.126 325 S CB 0.874 63.979 63.200 -0.158 0.000 2.053 325 S HN 0.487 nan 8.310 nan 0.000 0.692 326 G N -0.207 108.470 108.800 -0.204 0.000 2.408 326 G HA2 0.479 4.453 3.960 0.023 0.000 0.682 326 G HA3 0.479 4.453 3.960 0.023 0.000 0.682 326 G C 0.555 175.386 174.900 -0.116 0.000 1.303 326 G CA 0.295 45.327 45.100 -0.113 0.000 0.966 326 G HN 2.541 nan 8.290 nan 0.000 0.560 327 G N -2.234 106.539 108.800 -0.045 0.000 2.482 327 G HA2 0.137 4.111 3.960 0.023 0.000 0.214 327 G HA3 0.137 4.111 3.960 0.023 0.000 0.214 327 G C 1.139 176.044 174.900 0.009 0.000 1.271 327 G CA 0.913 45.992 45.100 -0.034 0.000 0.944 327 G HN 1.981 nan 8.290 nan 0.000 0.568 328 V N 1.920 121.848 119.914 0.023 0.000 2.317 328 V HA 0.195 4.329 4.120 0.023 0.000 0.251 328 V C 2.781 178.969 176.094 0.156 0.000 1.065 328 V CA 3.662 66.028 62.300 0.110 0.000 1.049 328 V CB -1.589 30.289 31.823 0.091 0.000 0.651 328 V HN 2.822 nan 8.190 nan 0.000 0.450 329 G N -0.638 108.124 108.800 -0.064 0.000 2.525 329 G HA2 -0.252 3.722 3.960 0.023 0.000 0.248 329 G HA3 -0.252 3.722 3.960 0.023 0.000 0.248 329 G C -0.306 174.536 174.900 -0.098 0.000 1.238 329 G CA 0.155 45.025 45.100 -0.383 0.000 0.926 329 G HN 0.294 nan 8.290 nan 0.000 0.574 330 F N 1.567 121.561 119.950 0.073 0.000 2.818 330 F HA 0.404 4.945 4.527 0.024 0.000 0.369 330 F C 2.006 177.837 175.800 0.051 0.000 1.327 330 F CA -0.048 58.034 58.000 0.136 0.000 1.211 330 F CB 0.060 39.185 39.000 0.208 0.000 1.036 330 F HN 0.414 nan 8.300 nan 0.000 0.510 331 T N -0.650 113.961 114.554 0.095 0.000 2.622 331 T HA -0.247 4.117 4.350 0.023 0.000 0.266 331 T C 1.895 176.572 174.700 -0.038 0.000 1.047 331 T CA 1.872 63.970 62.100 -0.002 0.000 1.159 331 T CB -0.044 68.803 68.868 -0.035 0.000 0.863 331 T HN 0.366 nan 8.240 nan 0.000 0.422 332 Q N -0.762 118.988 119.800 -0.083 0.000 2.311 332 Q HA 0.024 4.378 4.340 0.023 0.000 0.203 332 Q C 1.868 177.748 176.000 -0.200 0.000 0.954 332 Q CA 0.613 56.282 55.803 -0.225 0.000 0.885 332 Q CB -0.126 28.500 28.738 -0.187 0.000 0.963 332 Q HN 0.561 nan 8.270 nan 0.000 0.471 333 Y N 0.032 120.275 120.300 -0.096 0.000 2.333 333 Y HA -0.203 4.361 4.550 0.023 0.000 0.290 333 Y C 2.179 178.027 175.900 -0.086 0.000 1.144 333 Y CA 1.131 59.165 58.100 -0.111 0.000 1.228 333 Y CB -0.289 38.102 38.460 -0.115 0.000 0.985 333 Y HN 0.158 nan 8.280 nan 0.000 0.542 334 A N -0.785 122.092 122.820 0.094 0.000 1.924 334 A HA -0.068 4.266 4.320 0.023 0.000 0.211 334 A C 2.293 179.750 177.584 -0.211 0.000 1.198 334 A CA 1.388 53.468 52.037 0.071 0.000 0.657 334 A CB -1.154 17.967 19.000 0.201 0.000 0.852 334 A HN 0.424 nan 8.150 nan 0.000 0.454 335 T N -1.455 112.804 114.554 -0.493 0.000 2.849 335 T HA -0.060 4.304 4.350 0.023 0.000 0.270 335 T C 1.859 176.140 174.700 -0.698 0.000 1.066 335 T CA 1.618 63.063 62.100 -1.091 0.000 1.130 335 T CB -0.631 67.671 68.868 -0.943 0.000 0.864 335 T HN 0.586 nan 8.240 nan 0.000 0.481 336 A N 1.820 124.413 122.820 -0.380 0.000 1.986 336 A HA 0.215 4.550 4.320 0.023 0.000 0.220 336 A C 2.648 180.139 177.584 -0.155 0.000 1.171 336 A CA 1.840 53.748 52.037 -0.215 0.000 0.640 336 A CB -1.180 17.739 19.000 -0.135 0.000 0.811 336 A HN 0.852 nan 8.150 nan 0.000 0.451 337 A N -1.825 120.921 122.820 -0.124 0.000 2.218 337 A HA 0.340 4.674 4.320 0.023 0.000 0.209 337 A C 1.158 178.811 177.584 0.115 0.000 1.168 337 A CA 0.962 53.011 52.037 0.020 0.000 0.804 337 A CB -0.294 18.766 19.000 0.100 0.000 0.834 337 A HN 1.148 nan 8.150 nan 0.000 0.482 338 Y N -1.847 118.471 120.300 0.031 0.000 2.830 338 Y HA 0.409 4.972 4.550 0.023 0.000 0.255 338 Y C 0.056 175.980 175.900 0.040 0.000 1.130 338 Y CA -0.451 57.682 58.100 0.055 0.000 1.217 338 Y CB -0.682 37.855 38.460 0.128 0.000 1.296 338 Y HN 0.078 nan 8.280 nan 0.000 0.571 339 T N -3.461 111.060 114.554 -0.055 0.000 2.916 339 T HA 0.470 4.834 4.350 0.023 0.000 0.292 339 T C -0.290 174.426 174.700 0.028 0.000 1.064 339 T CA -0.187 61.909 62.100 -0.007 0.000 1.011 339 T CB 1.814 70.639 68.868 -0.072 0.000 1.152 339 T HN 0.088 nan 8.240 nan 0.000 0.510 340 D N 0.759 121.188 120.400 0.048 0.000 3.059 340 D HA -0.178 4.476 4.640 0.023 0.000 0.220 340 D C 0.288 176.645 176.300 0.096 0.000 1.169 340 D CA 1.329 55.374 54.000 0.075 0.000 0.902 340 D CB -1.477 39.392 40.800 0.116 0.000 1.116 340 D HN 0.820 nan 8.370 nan 0.000 0.417 341 N N -1.429 117.314 118.700 0.073 0.000 2.714 341 N HA -0.245 4.509 4.740 0.023 0.000 0.250 341 N C 1.130 176.701 175.510 0.101 0.000 1.117 341 N CA 1.247 54.355 53.050 0.095 0.000 0.719 341 N CB -1.369 37.176 38.487 0.097 0.000 1.081 341 N HN 0.504 nan 8.380 nan 0.000 0.557 342 I N -0.265 120.302 120.570 -0.005 0.000 2.270 342 I HA -0.168 4.016 4.170 0.023 0.000 0.239 342 I C 2.351 178.178 176.117 -0.484 0.000 1.080 342 I CA 0.543 61.708 61.300 -0.225 0.000 1.383 342 I CB -0.130 37.655 38.000 -0.359 0.000 1.097 342 I HN 0.101 nan 8.210 nan 0.000 0.420 343 L N 1.349 122.389 121.223 -0.305 0.000 2.127 343 L HA -0.249 4.105 4.340 0.023 0.000 0.211 343 L C 1.654 178.519 176.870 -0.007 0.000 1.089 343 L CA 2.079 56.809 54.840 -0.183 0.000 0.757 343 L CB -0.853 41.185 42.059 -0.035 0.000 0.899 343 L HN 0.222 nan 8.230 nan 0.000 0.434 344 D N -0.777 119.660 120.400 0.061 0.000 2.097 344 D HA -0.226 4.428 4.640 0.023 0.000 0.195 344 D C 1.831 178.343 176.300 0.353 0.000 0.989 344 D CA 1.550 55.663 54.000 0.189 0.000 0.827 344 D CB -0.237 40.712 40.800 0.248 0.000 0.966 344 D HN 0.546 nan 8.370 nan 0.000 0.456 345 D N -0.919 119.666 120.400 0.308 0.000 2.104 345 D HA -0.180 4.474 4.640 0.023 0.000 0.194 345 D C 1.535 178.224 176.300 0.648 0.000 0.994 345 D CA 0.946 55.218 54.000 0.452 0.000 0.830 345 D CB 0.001 41.090 40.800 0.481 0.000 0.959 345 D HN 0.018 nan 8.370 nan 0.000 0.452 346 F N 0.487 120.671 119.950 0.390 0.000 2.186 346 F HA -0.027 4.516 4.527 0.026 0.000 0.299 346 F C 2.705 178.680 175.800 0.291 0.000 1.090 346 F CA 1.005 59.238 58.000 0.389 0.000 1.307 346 F CB -1.299 37.868 39.000 0.278 0.000 1.019 346 F HN 0.026 nan 8.300 nan 0.000 0.489 347 T N -1.135 113.654 114.554 0.391 0.000 2.857 347 T HA -0.159 4.205 4.350 0.023 0.000 0.266 347 T C 1.779 176.600 174.700 0.201 0.000 1.048 347 T CA 0.936 63.181 62.100 0.242 0.000 1.139 347 T CB -0.524 68.413 68.868 0.115 0.000 0.874 347 T HN 0.095 nan 8.240 nan 0.000 0.455 348 Y N 0.563 121.007 120.300 0.239 0.000 2.274 348 Y HA -0.020 4.544 4.550 0.022 0.000 0.290 348 Y C 2.030 177.993 175.900 0.106 0.000 1.145 348 Y CA 0.355 58.546 58.100 0.152 0.000 1.203 348 Y CB -0.668 37.863 38.460 0.119 0.000 0.984 348 Y HN 0.248 nan 8.280 nan 0.000 0.533 349 F N 0.068 120.098 119.950 0.134 0.000 2.102 349 F HA -0.082 4.457 4.527 0.019 0.000 0.298 349 F C 2.325 178.115 175.800 -0.016 0.000 1.105 349 F CA 1.836 59.765 58.000 -0.118 0.000 1.239 349 F CB -0.747 37.826 39.000 -0.711 0.000 0.991 349 F HN -0.049 nan 8.300 nan 0.000 0.474 350 G N 0.417 109.266 108.800 0.082 0.000 2.403 350 G HA2 -0.226 3.748 3.960 0.023 0.000 0.216 350 G HA3 -0.226 3.748 3.960 0.023 0.000 0.216 350 G C 1.775 176.749 174.900 0.123 0.000 1.154 350 G CA 0.616 45.748 45.100 0.054 0.000 0.784 350 G HN 0.268 nan 8.290 nan 0.000 0.538 351 K N 0.965 121.482 120.400 0.195 0.000 2.063 351 K HA -0.147 4.187 4.320 0.023 0.000 0.208 351 K C 2.329 178.950 176.600 0.035 0.000 1.048 351 K CA 1.881 58.261 56.287 0.156 0.000 0.928 351 K CB -0.164 32.346 32.500 0.017 0.000 0.713 351 K HN 0.345 nan 8.250 nan 0.000 0.442 352 E N -0.134 120.054 120.200 -0.020 0.000 2.106 352 E HA -0.201 4.163 4.350 0.023 0.000 0.192 352 E C 2.012 178.545 176.600 -0.111 0.000 0.984 352 E CA 1.212 57.570 56.400 -0.071 0.000 0.806 352 E CB -0.633 29.019 29.700 -0.080 0.000 0.750 352 E HN 0.384 nan 8.360 nan 0.000 0.458 353 Y N 0.168 120.259 120.300 -0.349 0.000 2.128 353 Y HA -0.209 4.349 4.550 0.012 0.000 0.284 353 Y C 2.051 177.892 175.900 -0.097 0.000 1.154 353 Y CA 2.042 59.962 58.100 -0.300 0.000 1.149 353 Y CB -0.388 37.801 38.460 -0.452 0.000 0.976 353 Y HN -0.006 nan 8.280 nan 0.000 0.505 354 V N 0.368 120.306 119.914 0.039 0.000 2.358 354 V HA -0.262 3.872 4.120 0.023 0.000 0.246 354 V C 2.310 178.418 176.094 0.023 0.000 1.047 354 V CA 2.172 64.530 62.300 0.098 0.000 1.035 354 V CB -0.653 31.310 31.823 0.234 0.000 0.658 354 V HN 0.442 nan 8.190 nan 0.000 0.452 355 E N 0.146 120.340 120.200 -0.010 0.000 2.118 355 E HA -0.311 4.053 4.350 0.023 0.000 0.195 355 E C 1.894 178.451 176.600 -0.072 0.000 0.992 355 E CA 1.777 58.159 56.400 -0.030 0.000 0.804 355 E CB -0.102 29.574 29.700 -0.040 0.000 0.741 355 E HN 0.746 nan 8.360 nan 0.000 0.458 356 D N -0.201 120.122 120.400 -0.128 0.000 2.123 356 D HA -0.149 4.505 4.640 0.023 0.000 0.200 356 D C 1.990 178.154 176.300 -0.226 0.000 0.976 356 D CA 1.221 55.128 54.000 -0.155 0.000 0.831 356 D CB 0.055 40.756 40.800 -0.165 0.000 0.974 356 D HN 0.038 nan 8.370 nan 0.000 0.469 357 K N -1.640 118.538 120.400 -0.370 0.000 2.044 357 K HA -0.086 4.248 4.320 0.023 0.000 0.204 357 K C 1.303 177.616 176.600 -0.479 0.000 1.045 357 K CA 0.997 56.954 56.287 -0.550 0.000 0.951 357 K CB -0.027 31.898 32.500 -0.958 0.000 0.738 357 K HN 0.216 nan 8.250 nan 0.000 0.443 358 Y N -0.693 119.517 120.300 -0.149 0.000 2.558 358 Y HA 0.316 4.885 4.550 0.032 0.000 0.273 358 Y C 0.600 176.462 175.900 -0.062 0.000 1.100 358 Y CA 0.311 58.360 58.100 -0.085 0.000 1.276 358 Y CB 1.078 39.502 38.460 -0.059 0.000 1.196 358 Y HN 0.258 nan 8.280 nan 0.000 0.527 359 G N 1.215 110.072 108.800 0.095 0.000 2.895 359 G HA2 -0.193 3.781 3.960 0.023 0.000 0.686 359 G HA3 -0.193 3.781 3.960 0.023 0.000 0.686 359 G C -0.713 174.226 174.900 0.065 0.000 1.108 359 G CA -0.850 44.280 45.100 0.051 0.000 0.761 359 G HN 0.179 nan 8.290 nan 0.000 0.611 360 L N 1.305 122.544 121.223 0.027 0.000 2.578 360 L HA 0.162 4.516 4.340 0.023 0.000 0.279 360 L C 1.947 178.828 176.870 0.018 0.000 1.227 360 L CA 0.661 55.513 54.840 0.021 0.000 0.900 360 L CB 0.183 42.227 42.059 -0.026 0.000 1.144 360 L HN 1.361 nan 8.230 nan 0.000 0.496 361 C N 0.549 119.859 119.300 0.017 0.000 4.933 361 C HA -0.159 4.315 4.460 0.023 0.000 0.249 361 C C 1.663 176.641 174.990 -0.020 0.000 1.406 361 C CA 0.800 59.814 59.018 -0.006 0.000 1.505 361 C CB -2.282 25.454 27.740 -0.006 0.000 1.870 361 C HN 0.978 nan 8.230 nan 0.000 0.651 362 E N 0.606 120.800 120.200 -0.010 0.000 2.431 362 E HA 0.347 4.711 4.350 0.023 0.000 0.200 362 E C 1.171 177.755 176.600 -0.028 0.000 0.995 362 E CA 0.625 57.029 56.400 0.005 0.000 0.915 362 E CB 0.231 29.961 29.700 0.051 0.000 0.930 362 E HN 0.785 nan 8.360 nan 0.000 0.496 363 A N 3.151 125.869 122.820 -0.169 0.000 2.445 363 A HA 0.216 4.550 4.320 0.023 0.000 0.242 363 A C -2.310 175.149 177.584 -0.209 0.000 1.075 363 A CA -1.112 50.687 52.037 -0.397 0.000 0.777 363 A CB -0.287 18.098 19.000 -1.025 0.000 1.013 363 A HN -0.143 nan 8.150 nan 0.000 0.493 364 P HA -0.008 nan 4.420 nan 0.000 0.264 364 P C -0.391 176.852 177.300 -0.096 0.000 1.183 364 P CA 0.200 63.253 63.100 -0.078 0.000 0.763 364 P CB 0.231 31.912 31.700 -0.031 0.000 0.807 365 N N 3.270 121.931 118.700 -0.065 0.000 2.895 365 N HA 0.063 4.817 4.740 0.023 0.000 0.277 365 N C -0.654 174.826 175.510 -0.050 0.000 1.185 365 N CA -0.170 52.848 53.050 -0.052 0.000 1.106 365 N CB -1.015 37.451 38.487 -0.035 0.000 1.422 365 N HN 0.376 nan 8.380 nan 0.000 0.521 366 N N 0.943 119.614 118.700 -0.048 0.000 3.106 366 N HA 0.140 4.894 4.740 0.023 0.000 0.253 366 N C 0.263 175.760 175.510 -0.022 0.000 1.506 366 N CA -0.732 52.284 53.050 -0.057 0.000 0.876 366 N CB 0.171 38.626 38.487 -0.054 0.000 1.452 366 N HN -0.032 nan 8.380 nan 0.000 0.542 367 M N 0.273 119.855 119.600 -0.029 0.000 2.279 367 M HA 0.019 4.513 4.480 0.023 0.000 0.264 367 M C 0.305 176.630 176.300 0.043 0.000 1.062 367 M CA 1.681 56.995 55.300 0.023 0.000 1.099 367 M CB -0.813 31.794 32.600 0.012 0.000 1.394 367 M HN 0.567 nan 8.290 nan 0.000 0.426 368 D N -0.919 119.500 120.400 0.033 0.000 2.117 368 D HA -0.135 4.519 4.640 0.023 0.000 0.197 368 D C 1.837 178.184 176.300 0.077 0.000 0.987 368 D CA 1.909 55.945 54.000 0.060 0.000 0.829 368 D CB -0.477 40.359 40.800 0.061 0.000 0.961 368 D HN 0.371 nan 8.370 nan 0.000 0.460 369 T N 0.517 115.092 114.554 0.036 0.000 2.821 369 T HA -0.064 4.300 4.350 0.023 0.000 0.267 369 T C 2.265 176.992 174.700 0.045 0.000 1.046 369 T CA 0.489 62.592 62.100 0.006 0.000 1.139 369 T CB -0.191 68.586 68.868 -0.152 0.000 0.871 369 T HN -0.035 nan 8.240 nan 0.000 0.454 370 V N 1.676 121.619 119.914 0.049 0.000 2.287 370 V HA -0.156 3.978 4.120 0.023 0.000 0.248 370 V C 2.484 178.620 176.094 0.070 0.000 1.053 370 V CA 1.593 63.935 62.300 0.070 0.000 1.027 370 V CB -0.701 31.188 31.823 0.111 0.000 0.646 370 V HN 0.433 nan 8.190 nan 0.000 0.447 371 L N -0.127 121.143 121.223 0.078 0.000 2.046 371 L HA -0.197 4.157 4.340 0.023 0.000 0.208 371 L C 2.506 179.418 176.870 0.070 0.000 1.077 371 L CA 1.997 56.879 54.840 0.069 0.000 0.747 371 L CB -0.712 41.394 42.059 0.077 0.000 0.896 371 L HN 0.443 nan 8.230 nan 0.000 0.432 372 D N 0.058 120.531 120.400 0.122 0.000 2.077 372 D HA -0.149 4.505 4.640 0.023 0.000 0.193 372 D C 2.120 178.523 176.300 0.172 0.000 0.989 372 D CA 1.676 55.786 54.000 0.184 0.000 0.831 372 D CB 0.165 41.145 40.800 0.300 0.000 0.979 372 D HN 0.077 nan 8.370 nan 0.000 0.449 373 V N 1.401 121.444 119.914 0.214 0.000 2.379 373 V HA -0.123 4.011 4.120 0.023 0.000 0.245 373 V C 2.687 178.799 176.094 0.030 0.000 1.044 373 V CA 1.692 64.114 62.300 0.205 0.000 1.036 373 V CB -0.775 31.185 31.823 0.227 0.000 0.664 373 V HN 0.294 nan 8.190 nan 0.000 0.453 374 A N -0.242 122.580 122.820 0.004 0.000 1.930 374 A HA -0.181 4.153 4.320 0.023 0.000 0.217 374 A C 2.381 179.866 177.584 -0.165 0.000 1.175 374 A CA 2.306 54.309 52.037 -0.057 0.000 0.627 374 A CB -0.819 18.155 19.000 -0.042 0.000 0.815 374 A HN 0.496 nan 8.150 nan 0.000 0.443 375 T N -0.485 113.947 114.554 -0.202 0.000 2.737 375 T HA -0.110 4.254 4.350 0.023 0.000 0.265 375 T C 1.911 176.289 174.700 -0.537 0.000 1.038 375 T CA 1.641 63.453 62.100 -0.481 0.000 1.144 375 T CB -0.197 68.470 68.868 -0.334 0.000 0.866 375 T HN 0.616 nan 8.240 nan 0.000 0.434 376 E N 0.988 121.031 120.200 -0.262 0.000 2.058 376 E HA -0.108 4.256 4.350 0.023 0.000 0.194 376 E C 2.074 178.622 176.600 -0.086 0.000 0.997 376 E CA 1.101 57.385 56.400 -0.193 0.000 0.801 376 E CB -0.544 28.855 29.700 -0.502 0.000 0.746 376 E HN 0.263 nan 8.360 nan 0.000 0.450 377 V N 0.162 120.035 119.914 -0.067 0.000 2.548 377 V HA -0.199 3.935 4.120 0.023 0.000 0.249 377 V C 2.255 178.321 176.094 -0.047 0.000 1.055 377 V CA 1.993 64.338 62.300 0.076 0.000 1.065 377 V CB -0.715 31.172 31.823 0.107 0.000 0.681 377 V HN 0.337 nan 8.190 nan 0.000 0.462 378 T N 0.402 114.855 114.554 -0.169 0.000 2.746 378 T HA -0.125 4.239 4.350 0.023 0.000 0.267 378 T C 1.685 176.301 174.700 -0.139 0.000 1.039 378 T CA 1.567 63.541 62.100 -0.210 0.000 1.142 378 T CB -0.337 68.345 68.868 -0.310 0.000 0.866 378 T HN 0.336 nan 8.240 nan 0.000 0.444 379 F N 0.264 120.129 119.950 -0.141 0.000 2.234 379 F HA 0.106 4.642 4.527 0.015 0.000 0.299 379 F C 2.098 177.753 175.800 -0.242 0.000 1.087 379 F CA -0.479 57.416 58.000 -0.175 0.000 1.340 379 F CB -1.244 37.691 39.000 -0.109 0.000 1.031 379 F HN 0.202 nan 8.300 nan 0.000 0.500 380 Y N 0.735 120.897 120.300 -0.231 0.000 2.114 380 Y HA -0.120 4.443 4.550 0.022 0.000 0.284 380 Y C 2.554 178.073 175.900 -0.636 0.000 1.143 380 Y CA 1.828 59.603 58.100 -0.543 0.000 1.135 380 Y CB -0.846 36.961 38.460 -1.089 0.000 0.980 380 Y HN 0.008 nan 8.280 nan 0.000 0.499 381 G N 0.319 108.711 108.800 -0.680 0.000 2.418 381 G HA2 -0.227 3.747 3.960 0.023 0.000 0.217 381 G HA3 -0.227 3.747 3.960 0.023 0.000 0.217 381 G C 1.679 176.085 174.900 -0.824 0.000 1.158 381 G CA 1.157 45.402 45.100 -1.424 0.000 0.771 381 G HN 0.455 nan 8.290 nan 0.000 0.545 382 L N 0.169 121.169 121.223 -0.371 0.000 2.042 382 L HA -0.081 4.273 4.340 0.023 0.000 0.210 382 L C 2.747 179.555 176.870 -0.104 0.000 1.076 382 L CA 1.611 56.376 54.840 -0.126 0.000 0.749 382 L CB -0.384 41.530 42.059 -0.242 0.000 0.893 382 L HN 0.361 nan 8.230 nan 0.000 0.432 383 E N -0.389 119.666 120.200 -0.242 0.000 2.153 383 E HA -0.231 4.133 4.350 0.023 0.000 0.194 383 E C 2.179 178.645 176.600 -0.222 0.000 0.988 383 E CA 0.782 57.058 56.400 -0.207 0.000 0.811 383 E CB 0.213 29.762 29.700 -0.252 0.000 0.746 383 E HN 0.423 nan 8.360 nan 0.000 0.466 384 Q N -0.487 119.086 119.800 -0.380 0.000 2.119 384 Q HA -0.167 4.187 4.340 0.023 0.000 0.201 384 Q C 1.795 177.748 176.000 -0.077 0.000 0.972 384 Q CA 1.203 56.903 55.803 -0.171 0.000 0.847 384 Q CB -0.504 28.097 28.738 -0.228 0.000 0.903 384 Q HN 0.498 nan 8.270 nan 0.000 0.433 385 Y N 1.388 121.685 120.300 -0.005 0.000 2.293 385 Y HA -0.108 4.456 4.550 0.023 0.000 0.291 385 Y C 2.092 177.993 175.900 0.002 0.000 1.137 385 Y CA 0.947 59.059 58.100 0.019 0.000 1.202 385 Y CB -0.080 38.396 38.460 0.027 0.000 0.990 385 Y HN 0.247 nan 8.280 nan 0.000 0.537 386 E N -0.296 119.971 120.200 0.113 0.000 2.158 386 E HA -0.168 4.196 4.350 0.023 0.000 0.191 386 E C 1.869 178.437 176.600 -0.053 0.000 0.982 386 E CA 0.877 57.291 56.400 0.023 0.000 0.823 386 E CB 0.000 29.710 29.700 0.016 0.000 0.766 386 E HN 0.516 nan 8.360 nan 0.000 0.468 387 E N -0.157 119.978 120.200 -0.108 0.000 2.230 387 E HA -0.073 4.291 4.350 0.023 0.000 0.192 387 E C -0.422 175.890 176.600 -0.481 0.000 0.987 387 E CA 0.476 56.684 56.400 -0.321 0.000 0.841 387 E CB 0.385 29.828 29.700 -0.428 0.000 0.783 387 E HN 0.170 nan 8.360 nan 0.000 0.481 388 Y N -0.657 119.655 120.300 0.020 0.000 2.646 388 Y HA 0.284 4.848 4.550 0.022 0.000 0.334 388 Y C -2.117 173.800 175.900 0.028 0.000 1.004 388 Y CA -2.452 55.675 58.100 0.046 0.000 1.301 388 Y CB 1.605 40.122 38.460 0.095 0.000 1.093 388 Y HN 0.034 nan 8.280 nan 0.000 0.530 389 P HA -0.250 nan 4.420 nan 0.000 0.217 389 P C 1.409 178.733 177.300 0.040 0.000 1.148 389 P CA 2.153 65.279 63.100 0.043 0.000 0.828 389 P CB 0.446 32.134 31.700 -0.021 0.000 0.783 390 A N -0.971 121.888 122.820 0.066 0.000 1.969 390 A HA -0.166 4.168 4.320 0.023 0.000 0.218 390 A C 2.086 179.798 177.584 0.214 0.000 1.169 390 A CA 1.259 53.316 52.037 0.032 0.000 0.635 390 A CB -1.541 17.576 19.000 0.194 0.000 0.810 390 A HN 0.160 nan 8.150 nan 0.000 0.445 391 L N -0.869 120.467 121.223 0.189 0.000 2.056 391 L HA -0.067 4.287 4.340 0.023 0.000 0.207 391 L C 2.209 179.234 176.870 0.258 0.000 1.078 391 L CA 1.799 56.706 54.840 0.111 0.000 0.749 391 L CB -0.486 41.484 42.059 -0.149 0.000 0.901 391 L HN 0.348 nan 8.230 nan 0.000 0.433 392 L N -0.251 121.137 121.223 0.274 0.000 2.093 392 L HA -0.189 4.165 4.340 0.023 0.000 0.208 392 L C 2.430 179.393 176.870 0.154 0.000 1.085 392 L CA 2.032 57.000 54.840 0.214 0.000 0.755 392 L CB -0.722 41.413 42.059 0.127 0.000 0.904 392 L HN 0.537 nan 8.230 nan 0.000 0.435 393 E N -1.246 119.042 120.200 0.146 0.000 2.274 393 E HA -0.234 4.130 4.350 0.023 0.000 0.194 393 E C 1.693 178.497 176.600 0.341 0.000 0.996 393 E CA 0.929 57.431 56.400 0.170 0.000 0.840 393 E CB -0.017 29.686 29.700 0.004 0.000 0.772 393 E HN 0.626 nan 8.360 nan 0.000 0.491 394 D N 0.556 121.171 120.400 0.358 0.000 2.091 394 D HA -0.123 4.531 4.640 0.023 0.000 0.199 394 D C 0.500 176.996 176.300 0.327 0.000 0.980 394 D CA 1.015 55.245 54.000 0.384 0.000 0.831 394 D CB 0.089 41.073 40.800 0.307 0.000 0.987 394 D HN 0.122 nan 8.370 nan 0.000 0.460 395 Q N 0.564 120.483 119.800 0.198 0.000 3.150 395 Q HA 0.143 4.497 4.340 0.023 0.000 0.297 395 Q C 0.411 176.358 176.000 -0.089 0.000 1.382 395 Q CA -0.423 55.380 55.803 0.000 0.000 1.059 395 Q CB -0.107 28.663 28.738 0.052 0.000 1.559 395 Q HN 0.465 nan 8.270 nan 0.000 0.548 396 F N -1.070 118.889 119.950 0.017 0.000 2.293 396 F HA 0.119 4.660 4.527 0.024 0.000 0.300 396 F C 1.040 176.809 175.800 -0.051 0.000 1.086 396 F CA -0.198 57.791 58.000 -0.018 0.000 1.375 396 F CB -0.241 38.763 39.000 0.007 0.000 1.045 396 F HN 0.103 nan 8.300 nan 0.000 0.516 397 G N 0.172 108.743 108.800 -0.382 0.000 2.356 397 G HA2 0.414 4.388 3.960 0.023 0.000 0.298 397 G HA3 0.414 4.388 3.960 0.023 0.000 0.298 397 G C 0.979 175.788 174.900 -0.151 0.000 1.145 397 G CA -0.266 44.730 45.100 -0.174 0.000 0.850 397 G HN 0.383 nan 8.290 nan 0.000 0.487 398 G N 1.619 110.365 108.800 -0.090 0.000 2.469 398 G HA2 -0.155 3.819 3.960 0.023 0.000 0.219 398 G HA3 -0.155 3.819 3.960 0.023 0.000 0.219 398 G C 1.333 176.066 174.900 -0.277 0.000 1.150 398 G CA 1.208 46.218 45.100 -0.150 0.000 0.763 398 G HN 0.675 nan 8.290 nan 0.000 0.561 402 A N 1.744 124.516 122.820 -0.079 0.000 1.883 402 A HA -0.014 4.320 4.320 0.023 0.000 0.217 402 A C 2.236 179.671 177.584 -0.249 0.000 1.186 402 A CA 2.173 54.074 52.037 -0.226 0.000 0.624 402 A CB -0.561 18.047 19.000 -0.654 0.000 0.822 402 A HN 0.371 nan 8.150 nan 0.000 0.444 403 A N -0.829 121.886 122.820 -0.176 0.000 1.898 403 A HA 0.042 4.376 4.320 0.023 0.000 0.216 403 A C 2.247 179.834 177.584 0.005 0.000 1.181 403 A CA 1.756 53.755 52.037 -0.064 0.000 0.620 403 A CB -0.820 18.228 19.000 0.079 0.000 0.819 403 A HN 0.370 nan 8.150 nan 0.000 0.442 404 V N -0.604 119.345 119.914 0.057 0.000 2.323 404 V HA -0.186 3.948 4.120 0.023 0.000 0.244 404 V C 2.576 178.802 176.094 0.220 0.000 1.041 404 V CA 1.878 64.255 62.300 0.128 0.000 1.025 404 V CB -0.562 31.333 31.823 0.120 0.000 0.656 404 V HN 0.359 nan 8.190 nan 0.000 0.451 405 V N 0.286 120.346 119.914 0.244 0.000 2.358 405 V HA -0.214 3.920 4.120 0.023 0.000 0.246 405 V C 2.648 178.748 176.094 0.010 0.000 1.047 405 V CA 2.022 64.449 62.300 0.213 0.000 1.035 405 V CB -0.972 30.920 31.823 0.115 0.000 0.658 405 V HN 0.552 nan 8.190 nan 0.000 0.452 406 A N -0.282 122.402 122.820 -0.225 0.000 1.968 406 A HA 0.032 4.366 4.320 0.023 0.000 0.217 406 A C 2.378 179.913 177.584 -0.082 0.000 1.169 406 A CA 1.649 53.404 52.037 -0.469 0.000 0.638 406 A CB -0.571 17.571 19.000 -1.431 0.000 0.812 406 A HN 0.538 nan 8.150 nan 0.000 0.446 407 A N 0.041 122.947 122.820 0.145 0.000 1.898 407 A HA 0.183 4.518 4.320 0.023 0.000 0.216 407 A C 2.468 180.143 177.584 0.151 0.000 1.181 407 A CA 1.898 54.130 52.037 0.326 0.000 0.620 407 A CB -0.912 18.247 19.000 0.265 0.000 0.819 407 A HN 0.978 nan 8.150 nan 0.000 0.442 408 A N -0.177 122.736 122.820 0.155 0.000 1.930 408 A HA 0.193 4.527 4.320 0.023 0.000 0.217 408 A C 2.472 180.105 177.584 0.081 0.000 1.175 408 A CA 1.955 54.084 52.037 0.154 0.000 0.627 408 A CB -0.906 18.284 19.000 0.318 0.000 0.815 408 A HN 1.001 nan 8.150 nan 0.000 0.443 409 A N -0.536 122.316 122.820 0.054 0.000 1.898 409 A HA 0.166 4.500 4.320 0.023 0.000 0.216 409 A C 2.366 179.944 177.584 -0.010 0.000 1.181 409 A CA 1.847 53.886 52.037 0.004 0.000 0.620 409 A CB -1.233 17.732 19.000 -0.057 0.000 0.819 409 A HN 0.663 nan 8.150 nan 0.000 0.442 410 G N -1.069 107.748 108.800 0.028 0.000 2.394 410 G HA2 -0.192 3.782 3.960 0.023 0.000 0.215 410 G HA3 -0.192 3.782 3.960 0.023 0.000 0.215 410 G C 1.586 176.411 174.900 -0.124 0.000 1.165 410 G CA 1.196 46.305 45.100 0.015 0.000 0.784 410 G HN 0.498 nan 8.290 nan 0.000 0.535 411 C N 0.828 120.013 119.300 -0.193 0.000 2.413 411 C HA -0.033 4.441 4.460 0.023 0.000 0.276 411 C C 3.408 177.898 174.990 -0.834 0.000 1.236 411 C CA 1.421 60.122 59.018 -0.529 0.000 1.735 411 C CB -0.838 26.609 27.740 -0.489 0.000 2.031 411 C HN 0.407 nan 8.230 nan 0.000 0.474 412 S N 0.230 115.681 115.700 -0.416 0.000 2.382 412 S HA -0.168 4.316 4.470 0.023 0.000 0.228 412 S C 1.859 176.424 174.600 -0.058 0.000 1.027 412 S CA 1.952 60.062 58.200 -0.149 0.000 0.991 412 S CB -0.564 62.685 63.200 0.081 0.000 0.823 412 S HN 0.719 nan 8.310 nan 0.000 0.469 413 T N 2.329 116.841 114.554 -0.071 0.000 2.720 413 T HA -0.066 4.298 4.350 0.023 0.000 0.268 413 T C 2.099 176.759 174.700 -0.066 0.000 1.037 413 T CA 1.299 63.379 62.100 -0.033 0.000 1.144 413 T CB -0.444 68.414 68.868 -0.018 0.000 0.864 413 T HN 0.480 nan 8.240 nan 0.000 0.444 414 A N 0.827 123.562 122.820 -0.141 0.000 1.968 414 A HA 0.075 4.409 4.320 0.023 0.000 0.217 414 A C 1.835 179.407 177.584 -0.020 0.000 1.169 414 A CA 0.919 52.884 52.037 -0.121 0.000 0.638 414 A CB -0.799 18.090 19.000 -0.185 0.000 0.812 414 A HN 0.423 nan 8.150 nan 0.000 0.446 415 F N 0.296 120.228 119.950 -0.030 0.000 2.216 415 F HA -0.073 4.466 4.527 0.021 0.000 0.300 415 F C 2.649 178.425 175.800 -0.041 0.000 1.085 415 F CA 0.301 58.284 58.000 -0.028 0.000 1.326 415 F CB -0.980 38.018 39.000 -0.004 0.000 1.027 415 F HN 0.287 nan 8.300 nan 0.000 0.497 416 A N -0.194 122.695 122.820 0.114 0.000 1.874 416 A HA -0.111 4.223 4.320 0.023 0.000 0.214 416 A C 2.253 179.772 177.584 -0.108 0.000 1.189 416 A CA 1.997 54.012 52.037 -0.037 0.000 0.615 416 A CB -1.202 17.711 19.000 -0.146 0.000 0.830 416 A HN 0.381 nan 8.150 nan 0.000 0.443 417 T N -4.385 110.115 114.554 -0.091 0.000 3.054 417 T HA 0.360 4.724 4.350 0.023 0.000 0.259 417 T C 1.494 176.156 174.700 -0.064 0.000 1.092 417 T CA 1.196 63.240 62.100 -0.094 0.000 1.121 417 T CB -0.180 68.644 68.868 -0.073 0.000 0.912 417 T HN 1.706 nan 8.240 nan 0.000 0.489 418 G N 1.654 110.424 108.800 -0.050 0.000 2.160 418 G HA2 -0.250 3.724 3.960 0.023 0.000 0.251 418 G HA3 -0.250 3.724 3.960 0.023 0.000 0.251 418 G C -0.106 174.720 174.900 -0.122 0.000 1.008 418 G CA 0.215 45.270 45.100 -0.075 0.000 0.724 418 G HN 0.833 nan 8.290 nan 0.000 0.514 419 N N -0.634 118.006 118.700 -0.100 0.000 2.397 419 N HA 0.560 5.314 4.740 0.023 0.000 0.291 419 N C 1.031 176.495 175.510 -0.077 0.000 1.065 419 N CA 0.289 53.287 53.050 -0.086 0.000 0.884 419 N CB 1.519 39.989 38.487 -0.027 0.000 1.551 419 N HN 0.350 nan 8.380 nan 0.000 0.487 420 A N 2.770 125.537 122.820 -0.088 0.000 2.015 420 A HA -0.139 4.195 4.320 0.023 0.000 0.219 420 A C 1.771 179.304 177.584 -0.084 0.000 1.163 420 A CA 1.371 53.356 52.037 -0.086 0.000 0.646 420 A CB -0.122 18.842 19.000 -0.060 0.000 0.806 420 A HN 0.717 nan 8.150 nan 0.000 0.448 421 Q N -0.205 119.569 119.800 -0.042 0.000 2.123 421 Q HA -0.092 4.262 4.340 0.023 0.000 0.199 421 Q C 2.206 178.195 176.000 -0.019 0.000 0.966 421 Q CA 2.230 57.990 55.803 -0.071 0.000 0.845 421 Q CB -0.485 28.277 28.738 0.039 0.000 0.907 421 Q HN 0.769 nan 8.270 nan 0.000 0.439 422 T N -3.087 111.539 114.554 0.120 0.000 2.867 422 T HA -0.034 4.330 4.350 0.023 0.000 0.268 422 T C 1.870 176.597 174.700 0.045 0.000 1.057 422 T CA 0.933 63.133 62.100 0.167 0.000 1.136 422 T CB -0.805 68.145 68.868 0.136 0.000 0.874 422 T HN 0.334 nan 8.240 nan 0.000 0.466 423 G N 1.817 110.602 108.800 -0.025 0.000 2.446 423 G HA2 -0.160 3.814 3.960 0.023 0.000 0.217 423 G HA3 -0.160 3.814 3.960 0.023 0.000 0.217 423 G C 1.437 176.300 174.900 -0.060 0.000 1.168 423 G CA 1.023 46.086 45.100 -0.061 0.000 0.771 423 G HN 0.466 nan 8.290 nan 0.000 0.551 424 L N 0.932 122.082 121.223 -0.122 0.000 2.046 424 L HA 0.024 4.378 4.340 0.023 0.000 0.208 424 L C 2.879 179.699 176.870 -0.084 0.000 1.077 424 L CA 2.415 57.137 54.840 -0.196 0.000 0.747 424 L CB -0.748 41.137 42.059 -0.290 0.000 0.896 424 L HN 0.227 nan 8.230 nan 0.000 0.432 425 S N -0.676 115.015 115.700 -0.014 0.000 2.382 425 S HA -0.133 4.351 4.470 0.023 0.000 0.228 425 S C 2.034 176.709 174.600 0.125 0.000 1.027 425 S CA 1.207 59.487 58.200 0.133 0.000 0.991 425 S CB -0.801 62.530 63.200 0.218 0.000 0.823 425 S HN 0.678 nan 8.310 nan 0.000 0.469 426 G N 0.990 109.832 108.800 0.070 0.000 2.418 426 G HA2 -0.238 3.736 3.960 0.023 0.000 0.217 426 G HA3 -0.238 3.736 3.960 0.023 0.000 0.217 426 G C 1.330 176.231 174.900 0.001 0.000 1.158 426 G CA 0.885 46.006 45.100 0.035 0.000 0.771 426 G HN 0.667 nan 8.290 nan 0.000 0.545 427 W N 0.821 121.984 121.300 -0.229 0.000 2.318 427 W HA -0.175 4.498 4.660 0.023 0.000 0.313 427 W C 2.003 178.300 176.519 -0.371 0.000 1.221 427 W CA 1.522 58.676 57.345 -0.318 0.000 1.266 427 W CB -0.597 28.605 29.460 -0.431 0.000 1.150 427 W HN 0.345 nan 8.180 nan 0.000 0.496 428 Y N 0.491 120.838 120.300 0.079 0.000 2.263 428 Y HA -0.188 4.376 4.550 0.022 0.000 0.292 428 Y C 2.532 178.031 175.900 -0.668 0.000 1.130 428 Y CA 1.495 59.424 58.100 -0.286 0.000 1.179 428 Y CB -1.593 36.793 38.460 -0.123 0.000 0.998 428 Y HN -0.083 nan 8.280 nan 0.000 0.532 429 L N -0.700 120.436 121.223 -0.146 0.000 2.083 429 L HA -0.185 4.170 4.340 0.023 0.000 0.209 429 L C 2.551 179.330 176.870 -0.153 0.000 1.083 429 L CA 1.957 56.756 54.840 -0.068 0.000 0.752 429 L CB -1.134 40.953 42.059 0.047 0.000 0.899 429 L HN 0.193 nan 8.230 nan 0.000 0.433 430 S N -1.043 114.523 115.700 -0.224 0.000 2.359 430 S HA -0.219 4.265 4.470 0.023 0.000 0.224 430 S C 2.065 176.538 174.600 -0.212 0.000 1.035 430 S CA 1.757 59.819 58.200 -0.230 0.000 1.018 430 S CB -0.191 62.833 63.200 -0.294 0.000 0.876 430 S HN 0.472 nan 8.310 nan 0.000 0.448 431 M N 0.179 119.561 119.600 -0.364 0.000 2.149 431 M HA -0.084 4.410 4.480 0.023 0.000 0.261 431 M C 1.939 178.205 176.300 -0.056 0.000 1.064 431 M CA 1.491 56.631 55.300 -0.266 0.000 1.102 431 M CB -1.706 30.707 32.600 -0.313 0.000 1.369 431 M HN 0.435 nan 8.290 nan 0.000 0.408 432 Y N 0.309 120.624 120.300 0.025 0.000 2.263 432 Y HA -0.012 4.551 4.550 0.021 0.000 0.292 432 Y C 2.442 178.367 175.900 0.041 0.000 1.130 432 Y CA 0.529 58.652 58.100 0.039 0.000 1.179 432 Y CB -1.319 37.173 38.460 0.053 0.000 0.998 432 Y HN 0.137 nan 8.280 nan 0.000 0.532 433 L N -0.979 120.352 121.223 0.179 0.000 2.017 433 L HA -0.270 4.084 4.340 0.023 0.000 0.208 433 L C 2.509 179.467 176.870 0.147 0.000 1.073 433 L CA 2.005 56.926 54.840 0.134 0.000 0.745 433 L CB -0.794 41.273 42.059 0.012 0.000 0.894 433 L HN 0.334 nan 8.230 nan 0.000 0.432 434 H N 0.464 119.514 119.070 -0.032 0.000 2.321 434 H HA -0.246 4.324 4.556 0.023 0.000 0.300 434 H C 2.458 177.760 175.328 -0.043 0.000 1.087 434 H CA 1.854 57.852 56.048 -0.083 0.000 1.319 434 H CB 0.227 29.917 29.762 -0.120 0.000 1.379 434 H HN 0.153 nan 8.280 nan 0.000 0.501 435 K N 0.188 120.665 120.400 0.128 0.000 2.063 435 K HA -0.177 4.157 4.320 0.023 0.000 0.208 435 K C 1.916 178.577 176.600 0.102 0.000 1.048 435 K CA 1.857 58.189 56.287 0.076 0.000 0.928 435 K CB 0.137 32.683 32.500 0.077 0.000 0.713 435 K HN 0.338 nan 8.250 nan 0.000 0.442 436 E N 0.572 120.838 120.200 0.109 0.000 2.107 436 E HA -0.198 4.166 4.350 0.023 0.000 0.191 436 E C 1.979 178.625 176.600 0.076 0.000 0.982 436 E CA 1.014 57.467 56.400 0.088 0.000 0.809 436 E CB -0.131 29.622 29.700 0.088 0.000 0.756 436 E HN 0.520 nan 8.360 nan 0.000 0.459 437 Q N 0.170 120.004 119.800 0.056 0.000 2.020 437 Q HA -0.141 4.213 4.340 0.023 0.000 0.202 437 Q C 1.202 177.242 176.000 0.066 0.000 0.982 437 Q CA 1.540 57.327 55.803 -0.027 0.000 0.838 437 Q CB -0.051 28.572 28.738 -0.193 0.000 0.899 437 Q HN 0.476 nan 8.270 nan 0.000 0.423 438 H N -1.405 117.717 119.070 0.087 0.000 2.586 438 H HA 0.241 4.812 4.556 0.025 0.000 0.273 438 H C 0.122 175.475 175.328 0.043 0.000 0.997 438 H CA 0.111 56.193 56.048 0.058 0.000 1.177 438 H CB 0.874 30.682 29.762 0.076 0.000 1.471 438 H HN 0.187 nan 8.280 nan 0.000 0.538 439 S N 0.691 116.483 115.700 0.154 0.000 3.587 439 S HA -0.211 4.273 4.470 0.023 0.000 0.337 439 S C 0.054 174.691 174.600 0.062 0.000 1.119 439 S CA 1.053 59.303 58.200 0.085 0.000 0.976 439 S CB -0.913 62.322 63.200 0.058 0.000 0.922 439 S HN 0.813 nan 8.310 nan 0.000 0.503 440 R N -1.960 118.586 120.500 0.076 0.000 2.741 440 R HA 0.751 5.105 4.340 0.023 0.000 0.276 440 R C -0.608 175.664 176.300 -0.047 0.000 1.028 440 R CA -0.907 55.200 56.100 0.012 0.000 0.865 440 R CB 0.195 30.503 30.300 0.014 0.000 1.268 440 R HN 0.207 nan 8.270 nan 0.000 0.475 441 L N -1.011 120.125 121.223 -0.144 0.000 3.909 441 L HA 0.689 5.043 4.340 0.023 0.000 0.209 441 L C 0.241 176.883 176.870 -0.380 0.000 1.206 441 L CA 0.986 55.609 54.840 -0.362 0.000 1.361 441 L CB 0.641 42.555 42.059 -0.242 0.000 1.798 441 L HN 0.892 nan 8.230 nan 0.000 0.767 442 G N -1.185 107.406 108.800 -0.348 0.000 3.122 442 G HA2 0.360 4.334 3.960 0.023 0.000 0.180 442 G HA3 0.360 4.334 3.960 0.023 0.000 0.180 442 G C -0.656 174.197 174.900 -0.078 0.000 1.279 442 G CA -0.035 44.827 45.100 -0.397 0.000 0.987 442 G HN 0.447 nan 8.290 nan 0.000 0.589 443 F N -0.813 119.168 119.950 0.051 0.000 2.456 443 F HA 0.578 5.119 4.527 0.024 0.000 0.306 443 F C 0.633 176.565 175.800 0.219 0.000 1.278 443 F CA -1.566 56.521 58.000 0.146 0.000 1.264 443 F CB 0.042 39.159 39.000 0.196 0.000 1.253 443 F HN 0.448 nan 8.300 nan 0.000 0.554 447 D N 2.405 122.756 120.400 -0.082 0.000 2.587 447 D HA 0.073 4.727 4.640 0.023 0.000 0.233 447 D C 1.583 177.885 176.300 0.003 0.000 1.213 447 D CA 0.140 54.157 54.000 0.027 0.000 0.827 447 D CB 0.095 40.999 40.800 0.173 0.000 1.006 447 D HN 0.603 nan 8.370 nan 0.000 0.490 448 L N 0.917 122.097 121.223 -0.072 0.000 1.971 448 L HA -0.297 4.057 4.340 0.023 0.000 0.215 448 L C 2.596 179.465 176.870 -0.002 0.000 1.072 448 L CA 2.069 56.887 54.840 -0.037 0.000 0.758 448 L CB -0.336 41.691 42.059 -0.053 0.000 0.889 448 L HN 0.078 nan 8.230 nan 0.000 0.433 449 Q N -0.815 118.975 119.800 -0.016 0.000 2.167 449 Q HA -0.220 4.135 4.340 0.023 0.000 0.202 449 Q C 1.454 177.543 176.000 0.149 0.000 0.970 449 Q CA 1.678 57.547 55.803 0.111 0.000 0.855 449 Q CB -0.688 28.187 28.738 0.229 0.000 0.911 449 Q HN 0.647 nan 8.270 nan 0.000 0.438 450 D N 1.043 121.571 120.400 0.214 0.000 2.144 450 D HA -0.135 4.519 4.640 0.023 0.000 0.199 450 D C 0.810 177.246 176.300 0.227 0.000 0.984 450 D CA 1.069 55.253 54.000 0.307 0.000 0.834 450 D CB -0.031 41.049 40.800 0.466 0.000 0.955 450 D HN 0.194 nan 8.370 nan 0.000 0.465 454 A N 1.032 123.733 122.820 -0.197 0.000 1.903 454 A HA -0.036 4.298 4.320 0.023 0.000 0.219 454 A C 2.563 180.179 177.584 0.053 0.000 1.191 454 A CA 3.252 55.346 52.037 0.095 0.000 0.638 454 A CB -0.976 18.207 19.000 0.306 0.000 0.823 454 A HN 1.074 nan 8.150 nan 0.000 0.451 455 S N -0.368 115.345 115.700 0.021 0.000 2.382 455 S HA -0.140 4.344 4.470 0.023 0.000 0.228 455 S C 1.636 176.244 174.600 0.013 0.000 1.027 455 S CA 1.489 59.710 58.200 0.034 0.000 0.991 455 S CB -0.485 62.721 63.200 0.010 0.000 0.823 455 S HN 0.629 nan 8.310 nan 0.000 0.469 456 N N 0.768 119.442 118.700 -0.044 0.000 2.398 456 N HA 0.125 4.879 4.740 0.023 0.000 0.188 456 N C 1.364 176.829 175.510 -0.075 0.000 1.122 456 N CA 0.250 53.285 53.050 -0.026 0.000 0.866 456 N CB 0.013 38.505 38.487 0.008 0.000 0.970 456 N HN 0.230 nan 8.380 nan 0.000 0.462 457 V N -0.154 119.664 119.914 -0.161 0.000 2.343 457 V HA -0.148 3.986 4.120 0.023 0.000 0.247 457 V C 0.947 176.722 176.094 -0.532 0.000 1.051 457 V CA 1.530 63.577 62.300 -0.422 0.000 1.036 457 V CB -0.373 31.031 31.823 -0.699 0.000 0.654 457 V HN 0.160 nan 8.190 nan 0.000 0.451 458 F N -0.752 119.215 119.950 0.028 0.000 2.654 458 F HA 0.386 4.927 4.527 0.023 0.000 0.303 458 F C 1.255 177.061 175.800 0.010 0.000 1.099 458 F CA -0.215 57.794 58.000 0.015 0.000 1.270 458 F CB -0.038 38.974 39.000 0.020 0.000 1.024 458 F HN -0.044 nan 8.300 nan 0.000 0.548 459 S N 1.169 116.935 115.700 0.110 0.000 2.584 459 S HA 0.212 4.696 4.470 0.023 0.000 0.270 459 S C 0.993 175.630 174.600 0.061 0.000 1.346 459 S CA -0.281 57.966 58.200 0.077 0.000 1.018 459 S CB 0.516 63.739 63.200 0.039 0.000 0.899 459 S HN 0.294 nan 8.310 nan 0.000 0.542 460 I N 0.499 121.096 120.570 0.046 0.000 4.025 460 I HA 0.451 4.635 4.170 0.023 0.000 0.336 460 I C 0.656 176.781 176.117 0.015 0.000 1.390 460 I CA -0.305 61.014 61.300 0.032 0.000 1.099 460 I CB -0.313 37.707 38.000 0.034 0.000 1.049 460 I HN 0.336 nan 8.210 nan 0.000 0.394 461 R N 1.146 121.650 120.500 0.007 0.000 2.649 461 R HA 0.414 4.768 4.340 0.023 0.000 0.270 461 R C 1.579 177.866 176.300 -0.021 0.000 1.105 461 R CA 0.290 56.385 56.100 -0.009 0.000 1.193 461 R CB 0.259 30.549 30.300 -0.016 0.000 1.120 461 R HN 0.272 nan 8.270 nan 0.000 0.561 462 G N 1.181 109.963 108.800 -0.030 0.000 2.529 462 G HA2 -0.318 3.656 3.960 0.023 0.000 0.219 462 G HA3 -0.318 3.656 3.960 0.023 0.000 0.219 462 G C 0.702 175.566 174.900 -0.061 0.000 1.177 462 G CA 1.475 46.552 45.100 -0.038 0.000 0.773 462 G HN 0.792 nan 8.290 nan 0.000 0.573 463 D N -0.691 119.653 120.400 -0.094 0.000 2.402 463 D HA 0.164 4.818 4.640 0.023 0.000 0.216 463 D C 1.423 177.588 176.300 -0.226 0.000 1.128 463 D CA 0.111 54.011 54.000 -0.165 0.000 0.833 463 D CB 0.167 40.848 40.800 -0.199 0.000 0.971 463 D HN 0.486 nan 8.370 nan 0.000 0.503 464 E N -0.024 120.111 120.200 -0.108 0.000 2.306 464 E HA 0.208 4.572 4.350 0.023 0.000 0.201 464 E C 1.050 177.711 176.600 0.101 0.000 0.874 464 E CA 0.092 56.465 56.400 -0.044 0.000 0.972 464 E CB 0.441 30.120 29.700 -0.035 0.000 0.957 464 E HN 0.214 nan 8.360 nan 0.000 0.492 465 G N 1.710 110.537 108.800 0.045 0.000 2.339 465 G HA2 0.548 4.522 3.960 0.023 0.000 0.287 465 G HA3 0.548 4.522 3.960 0.023 0.000 0.287 465 G C -0.714 174.201 174.900 0.024 0.000 1.163 465 G CA -0.086 45.036 45.100 0.036 0.000 0.872 465 G HN -0.021 nan 8.290 nan 0.000 0.464 466 L N 2.975 124.180 121.223 -0.030 0.000 2.643 466 L HA 0.254 4.608 4.340 0.023 0.000 0.257 466 L C -2.569 174.213 176.870 -0.147 0.000 0.922 466 L CA -1.655 53.135 54.840 -0.084 0.000 0.909 466 L CB 3.315 45.309 42.059 -0.109 0.000 1.424 466 L HN 0.369 nan 8.230 nan 0.000 0.422 467 P HA 0.025 nan 4.420 nan 0.000 0.267 467 P C 0.458 177.627 177.300 -0.217 0.000 1.200 467 P CA -0.288 62.729 63.100 -0.138 0.000 0.772 467 P CB 0.697 32.337 31.700 -0.100 0.000 0.855 468 L N 3.537 124.636 121.223 -0.207 0.000 2.079 468 L HA -0.214 4.140 4.340 0.023 0.000 0.210 468 L C 1.746 178.517 176.870 -0.164 0.000 1.081 468 L CA 2.067 56.779 54.840 -0.213 0.000 0.752 468 L CB -1.038 40.894 42.059 -0.212 0.000 0.896 468 L HN 0.304 nan 8.230 nan 0.000 0.433 469 E N -0.758 119.319 120.200 -0.205 0.000 2.160 469 E HA -0.194 4.170 4.350 0.023 0.000 0.195 469 E C 1.930 178.126 176.600 -0.674 0.000 0.991 469 E CA 1.324 57.543 56.400 -0.302 0.000 0.810 469 E CB -0.241 29.280 29.700 -0.298 0.000 0.742 469 E HN 0.382 nan 8.360 nan 0.000 0.466 470 L N 0.229 121.041 121.223 -0.684 0.000 2.446 470 L HA 0.072 4.426 4.340 0.023 0.000 0.219 470 L C 0.807 177.418 176.870 -0.432 0.000 1.116 470 L CA 0.647 55.085 54.840 -0.671 0.000 0.844 470 L CB -0.080 41.729 42.059 -0.418 0.000 0.970 470 L HN -0.081 nan 8.230 nan 0.000 0.457 471 R N -0.797 119.470 120.500 -0.389 0.000 2.726 471 R HA 0.529 4.883 4.340 0.023 0.000 0.272 471 R C 0.283 176.071 176.300 -0.853 0.000 1.097 471 R CA 0.447 56.285 56.100 -0.436 0.000 1.198 471 R CB 0.301 30.374 30.300 -0.379 0.000 1.114 471 R HN 0.189 nan 8.270 nan 0.000 0.550 472 G N -0.346 107.861 108.800 -0.989 0.000 2.561 472 G HA2 0.222 4.196 3.960 0.023 0.000 0.310 472 G HA3 0.222 4.196 3.960 0.023 0.000 0.310 472 G C -2.564 171.919 174.900 -0.694 0.000 1.292 472 G CA -0.794 43.368 45.100 -1.563 0.000 0.811 472 G HN 0.269 nan 8.290 nan 0.000 0.482 473 P HA 0.013 nan 4.420 nan 0.000 0.228 473 P C 0.915 178.211 177.300 -0.006 0.000 1.151 473 P CA 0.997 64.009 63.100 -0.146 0.000 0.770 473 P CB 0.257 31.762 31.700 -0.326 0.000 0.786 474 N N -2.068 116.566 118.700 -0.109 0.000 2.236 474 N HA -0.030 4.724 4.740 0.023 0.000 0.196 474 N C -0.079 175.381 175.510 -0.082 0.000 1.114 474 N CA -0.453 52.556 53.050 -0.067 0.000 0.859 474 N CB -0.414 37.999 38.487 -0.123 0.000 0.982 474 N HN -0.040 nan 8.380 nan 0.000 0.493 475 Y N 1.240 121.405 120.300 -0.224 0.000 2.717 475 Y HA 0.119 4.683 4.550 0.024 0.000 0.330 475 Y C -1.617 174.115 175.900 -0.281 0.000 1.217 475 Y CA -1.427 56.480 58.100 -0.322 0.000 1.506 475 Y CB 0.849 38.991 38.460 -0.529 0.000 1.268 475 Y HN 0.124 nan 8.280 nan 0.000 0.561 476 P HA -0.183 nan 4.420 nan 0.000 0.215 476 P C 0.539 177.660 177.300 -0.298 0.000 1.157 476 P CA 2.378 65.211 63.100 -0.444 0.000 0.868 476 P CB 0.156 31.573 31.700 -0.471 0.000 0.788 477 N N -2.128 116.320 118.700 -0.420 0.000 2.364 477 N HA -0.155 4.599 4.740 0.023 0.000 0.183 477 N C 0.654 176.298 175.510 0.224 0.000 1.022 477 N CA 0.545 53.550 53.050 -0.075 0.000 0.883 477 N CB -0.254 38.244 38.487 0.019 0.000 0.965 477 N HN 0.210 nan 8.380 nan 0.000 0.438 478 Y N -0.141 120.231 120.300 0.121 0.000 2.485 478 Y HA 0.394 4.958 4.550 0.023 0.000 0.260 478 Y C 1.654 177.598 175.900 0.073 0.000 1.173 478 Y CA -1.180 56.999 58.100 0.131 0.000 1.252 478 Y CB -0.515 38.121 38.460 0.295 0.000 1.123 478 Y HN 0.002 nan 8.280 nan 0.000 0.524 479 A N -0.713 122.212 122.820 0.175 0.000 2.167 479 A HA -0.001 4.333 4.320 0.023 0.000 0.214 479 A C 1.867 179.523 177.584 0.120 0.000 1.151 479 A CA 1.118 53.241 52.037 0.143 0.000 0.735 479 A CB -0.285 18.756 19.000 0.068 0.000 0.802 479 A HN 0.395 nan 8.150 nan 0.000 0.467 480 M N -1.714 117.933 119.600 0.079 0.000 2.564 480 M HA 0.195 4.689 4.480 0.023 0.000 0.254 480 M C -0.334 175.987 176.300 0.035 0.000 1.299 480 M CA 0.288 55.614 55.300 0.043 0.000 1.143 480 M CB 0.497 33.121 32.600 0.040 0.000 1.427 480 M HN 0.246 nan 8.290 nan 0.000 0.538 481 N N 0.041 118.751 118.700 0.016 0.000 2.319 481 N HA 0.471 5.225 4.740 0.023 0.000 0.305 481 N C -0.622 174.885 175.510 -0.006 0.000 1.103 481 N CA -0.808 52.261 53.050 0.032 0.000 0.815 481 N CB 2.504 41.026 38.487 0.057 0.000 1.288 481 N HN -0.075 nan 8.380 nan 0.000 0.493 482 V N -0.451 119.373 119.914 -0.149 0.000 3.441 482 V HA 0.591 4.725 4.120 0.023 0.000 0.300 482 V C 1.309 177.433 176.094 0.050 0.000 1.091 482 V CA -0.008 62.154 62.300 -0.231 0.000 1.099 482 V CB 0.163 31.449 31.823 -0.895 0.000 1.138 482 V HN 0.956 nan 8.190 nan 0.000 0.471 483 G N 0.718 109.529 108.800 0.018 0.000 2.160 483 G HA2 -0.242 3.732 3.960 0.023 0.000 0.251 483 G HA3 -0.242 3.732 3.960 0.023 0.000 0.251 483 G C 0.041 174.873 174.900 -0.113 0.000 1.008 483 G CA 1.136 46.289 45.100 0.087 0.000 0.724 483 G HN 1.350 nan 8.290 nan 0.000 0.514 484 H N -2.076 116.850 119.070 -0.239 0.000 2.276 484 H HA 0.220 4.790 4.556 0.023 0.000 0.199 484 H C 2.398 177.035 175.328 -1.152 0.000 0.867 484 H CA 0.739 56.315 56.048 -0.787 0.000 0.948 484 H CB -0.303 28.942 29.762 -0.863 0.000 1.251 484 H HN 0.317 nan 8.280 nan 0.000 0.388 485 Q N 0.574 120.091 119.800 -0.473 0.000 2.050 485 Q HA -0.070 4.284 4.340 0.023 0.000 0.202 485 Q C 2.289 178.061 176.000 -0.381 0.000 0.980 485 Q CA 1.498 57.013 55.803 -0.480 0.000 0.840 485 Q CB -0.179 28.417 28.738 -0.237 0.000 0.898 485 Q HN 0.516 nan 8.270 nan 0.000 0.424 486 G N 0.627 109.424 108.800 -0.004 0.000 2.422 486 G HA2 -0.254 3.720 3.960 0.023 0.000 0.218 486 G HA3 -0.254 3.720 3.960 0.023 0.000 0.218 486 G C 1.027 175.849 174.900 -0.130 0.000 1.140 486 G CA 0.761 45.925 45.100 0.107 0.000 0.775 486 G HN 0.248 nan 8.290 nan 0.000 0.545 487 E N -0.063 119.958 120.200 -0.299 0.000 2.106 487 E HA -0.071 4.293 4.350 0.023 0.000 0.192 487 E C 2.092 178.372 176.600 -0.533 0.000 0.984 487 E CA 0.760 56.953 56.400 -0.345 0.000 0.806 487 E CB -0.303 29.201 29.700 -0.327 0.000 0.750 487 E HN 0.519 nan 8.360 nan 0.000 0.458 488 Y N 0.313 120.071 120.300 -0.902 0.000 2.274 488 Y HA -0.033 4.530 4.550 0.022 0.000 0.290 488 Y C 2.233 177.683 175.900 -0.750 0.000 1.145 488 Y CA 0.583 58.047 58.100 -1.059 0.000 1.203 488 Y CB -0.983 36.450 38.460 -1.712 0.000 0.984 488 Y HN 0.060 nan 8.280 nan 0.000 0.533 489 A N -0.031 122.544 122.820 -0.409 0.000 1.930 489 A HA -0.064 4.270 4.320 0.023 0.000 0.217 489 A C 2.658 180.230 177.584 -0.021 0.000 1.175 489 A CA 1.610 53.616 52.037 -0.052 0.000 0.627 489 A CB -1.325 17.778 19.000 0.172 0.000 0.815 489 A HN 0.437 nan 8.150 nan 0.000 0.443 490 G N 0.178 108.939 108.800 -0.064 0.000 2.421 490 G HA2 -0.183 3.791 3.960 0.023 0.000 0.216 490 G HA3 -0.183 3.791 3.960 0.023 0.000 0.216 490 G C 1.510 176.376 174.900 -0.057 0.000 1.171 490 G CA 1.115 46.198 45.100 -0.028 0.000 0.775 490 G HN 0.477 nan 8.290 nan 0.000 0.543 491 I N 1.857 122.356 120.570 -0.119 0.000 2.286 491 I HA -0.212 3.972 4.170 0.023 0.000 0.248 491 I C 3.194 179.261 176.117 -0.084 0.000 1.115 491 I CA 1.484 62.703 61.300 -0.136 0.000 1.392 491 I CB -0.251 37.645 38.000 -0.174 0.000 1.065 491 I HN 0.353 nan 8.210 nan 0.000 0.418 492 S N 0.501 116.172 115.700 -0.049 0.000 2.382 492 S HA -0.295 4.189 4.470 0.023 0.000 0.228 492 S C 1.990 176.686 174.600 0.161 0.000 1.027 492 S CA 1.431 59.662 58.200 0.052 0.000 0.991 492 S CB -0.443 62.803 63.200 0.078 0.000 0.823 492 S HN 0.400 nan 8.310 nan 0.000 0.469 493 Q N 2.082 121.959 119.800 0.127 0.000 2.119 493 Q HA 0.202 4.556 4.340 0.023 0.000 0.201 493 Q C 2.179 178.287 176.000 0.180 0.000 0.972 493 Q CA 1.727 57.638 55.803 0.180 0.000 0.847 493 Q CB -1.092 27.727 28.738 0.136 0.000 0.903 493 Q HN 0.627 nan 8.270 nan 0.000 0.433 494 A N 1.605 124.480 122.820 0.091 0.000 1.884 494 A HA -0.160 4.174 4.320 0.023 0.000 0.219 494 A C -0.357 177.343 177.584 0.192 0.000 1.197 494 A CA 1.889 53.996 52.037 0.117 0.000 0.637 494 A CB -1.899 16.924 19.000 -0.295 0.000 0.827 494 A HN 0.566 nan 8.150 nan 0.000 0.450 495 P HA -0.134 nan 4.420 nan 0.000 0.222 495 P C 0.869 178.077 177.300 -0.152 0.000 1.153 495 P CA 1.285 64.335 63.100 -0.084 0.000 0.798 495 P CB -0.336 31.213 31.700 -0.252 0.000 0.796 496 H N 0.079 119.182 119.070 0.055 0.000 2.428 496 H HA 0.143 4.714 4.556 0.025 0.000 0.296 496 H C 2.094 177.449 175.328 0.045 0.000 1.062 496 H CA 1.377 57.435 56.048 0.016 0.000 1.350 496 H CB -0.618 29.137 29.762 -0.011 0.000 1.403 496 H HN 0.116 nan 8.280 nan 0.000 0.533 497 A N 1.266 124.205 122.820 0.199 0.000 1.898 497 A HA -0.037 4.297 4.320 0.023 0.000 0.216 497 A C 2.662 180.300 177.584 0.090 0.000 1.181 497 A CA 1.511 53.642 52.037 0.156 0.000 0.620 497 A CB -0.674 18.434 19.000 0.182 0.000 0.819 497 A HN 0.403 nan 8.150 nan 0.000 0.442 498 A N -0.396 122.486 122.820 0.103 0.000 1.969 498 A HA -0.107 4.227 4.320 0.023 0.000 0.218 498 A C 2.201 179.793 177.584 0.014 0.000 1.169 498 A CA 1.404 53.448 52.037 0.012 0.000 0.635 498 A CB -0.379 18.675 19.000 0.090 0.000 0.810 498 A HN 0.528 nan 8.150 nan 0.000 0.445 499 R N -1.684 118.828 120.500 0.021 0.000 2.193 499 R HA 0.117 4.471 4.340 0.023 0.000 0.213 499 R C 1.385 177.696 176.300 0.019 0.000 1.055 499 R CA 0.659 56.763 56.100 0.006 0.000 0.995 499 R CB -0.147 30.144 30.300 -0.014 0.000 0.893 499 R HN 0.711 nan 8.270 nan 0.000 0.459 500 G N 1.410 110.235 108.800 0.041 0.000 2.143 500 G HA2 -0.215 3.759 3.960 0.023 0.000 0.249 500 G HA3 -0.215 3.759 3.960 0.023 0.000 0.249 500 G C -0.624 174.290 174.900 0.023 0.000 0.981 500 G CA 0.032 45.158 45.100 0.045 0.000 0.665 500 G HN 0.257 nan 8.290 nan 0.000 0.528 501 D N 0.068 120.482 120.400 0.022 0.000 2.455 501 D HA 0.464 5.118 4.640 0.023 0.000 0.241 501 D C 1.492 177.758 176.300 -0.057 0.000 1.138 501 D CA 0.588 54.554 54.000 -0.057 0.000 0.877 501 D CB 1.144 41.906 40.800 -0.064 0.000 1.187 501 D HN 0.394 nan 8.370 nan 0.000 0.451 502 A N 2.560 125.328 122.820 -0.086 0.000 2.121 502 A HA 0.066 4.400 4.320 0.023 0.000 0.218 502 A C 0.452 178.108 177.584 0.120 0.000 1.154 502 A CA 0.910 52.969 52.037 0.036 0.000 0.679 502 A CB -0.507 18.522 19.000 0.048 0.000 0.795 502 A HN 0.552 nan 8.150 nan 0.000 0.458 503 F N -6.514 113.406 119.950 -0.049 0.000 2.713 503 F HA 0.591 5.133 4.527 0.025 0.000 0.311 503 F C 0.167 175.855 175.800 -0.186 0.000 1.141 503 F CA -0.979 56.970 58.000 -0.085 0.000 0.939 503 F CB 0.767 39.688 39.000 -0.130 0.000 1.325 503 F HN -0.282 nan 8.300 nan 0.000 0.453 504 V N 0.173 120.060 119.914 -0.045 0.000 2.672 504 V HA 0.031 4.165 4.120 0.023 0.000 0.242 504 V C 0.573 176.655 176.094 -0.020 0.000 1.059 504 V CA 1.751 63.825 62.300 -0.376 0.000 1.081 504 V CB 0.212 32.009 31.823 -0.043 0.000 0.752 504 V HN 0.873 nan 8.190 nan 0.000 0.472 505 F N -0.801 119.246 119.950 0.162 0.000 2.743 505 F HA 0.453 4.994 4.527 0.024 0.000 0.356 505 F C 0.120 176.022 175.800 0.171 0.000 0.845 505 F CA -0.133 57.981 58.000 0.189 0.000 1.058 505 F CB 0.698 39.804 39.000 0.177 0.000 0.952 505 F HN 0.113 nan 8.300 nan 0.000 0.620 506 N N 2.074 120.730 118.700 -0.072 0.000 2.571 506 N HA 0.281 5.035 4.740 0.023 0.000 0.286 506 N C -2.457 172.664 175.510 -0.647 0.000 1.138 506 N CA -1.650 51.090 53.050 -0.515 0.000 0.859 506 N CB 2.182 40.228 38.487 -0.735 0.000 1.414 506 N HN -0.098 nan 8.380 nan 0.000 0.529 507 P HA -0.102 nan 4.420 nan 0.000 0.218 507 P C 1.570 178.472 177.300 -0.663 0.000 1.148 507 P CA 0.823 63.293 63.100 -1.050 0.000 0.822 507 P CB 0.681 31.619 31.700 -1.271 0.000 0.784 508 L N -0.856 119.996 121.223 -0.618 0.000 2.046 508 L HA -0.122 4.232 4.340 0.023 0.000 0.208 508 L C 2.747 179.390 176.870 -0.379 0.000 1.077 508 L CA 1.239 55.793 54.840 -0.476 0.000 0.747 508 L CB -1.376 40.338 42.059 -0.574 0.000 0.896 508 L HN -0.159 nan 8.230 nan 0.000 0.432 509 V N 0.256 119.922 119.914 -0.414 0.000 2.295 509 V HA -0.286 3.848 4.120 0.023 0.000 0.246 509 V C 2.639 178.672 176.094 -0.102 0.000 1.049 509 V CA 2.008 64.147 62.300 -0.268 0.000 1.024 509 V CB -0.533 30.980 31.823 -0.516 0.000 0.648 509 V HN 0.389 nan 8.190 nan 0.000 0.447 510 K N 0.833 121.133 120.400 -0.166 0.000 2.032 510 K HA -0.160 4.175 4.320 0.023 0.000 0.209 510 K C 1.750 178.367 176.600 0.027 0.000 1.048 510 K CA 1.958 58.235 56.287 -0.017 0.000 0.927 510 K CB -0.656 31.827 32.500 -0.027 0.000 0.712 510 K HN 0.478 nan 8.250 nan 0.000 0.441 511 I N 0.340 120.760 120.570 -0.250 0.000 2.439 511 I HA -0.149 4.035 4.170 0.023 0.000 0.251 511 I C 2.117 178.081 176.117 -0.255 0.000 1.139 511 I CA 0.982 62.083 61.300 -0.331 0.000 1.438 511 I CB -0.303 37.048 38.000 -1.082 0.000 1.085 511 I HN 0.224 nan 8.210 nan 0.000 0.427 512 A N 0.152 122.834 122.820 -0.229 0.000 2.121 512 A HA -0.086 4.248 4.320 0.023 0.000 0.218 512 A C 1.651 179.005 177.584 -0.384 0.000 1.154 512 A CA 1.284 53.209 52.037 -0.187 0.000 0.679 512 A CB -0.627 18.283 19.000 -0.149 0.000 0.795 512 A HN 0.421 nan 8.150 nan 0.000 0.458 513 F N -0.932 118.956 119.950 -0.102 0.000 2.653 513 F HA 0.394 4.935 4.527 0.024 0.000 0.304 513 F C 1.459 177.251 175.800 -0.014 0.000 1.092 513 F CA -0.002 57.922 58.000 -0.127 0.000 1.279 513 F CB 0.339 39.134 39.000 -0.342 0.000 1.044 513 F HN 0.149 nan 8.300 nan 0.000 0.564 514 A N 0.757 123.634 122.820 0.095 0.000 3.063 514 A HA 0.324 4.658 4.320 0.023 0.000 0.263 514 A C -0.520 177.087 177.584 0.038 0.000 1.736 514 A CA 0.207 52.266 52.037 0.037 0.000 1.408 514 A CB -0.768 18.227 19.000 -0.008 0.000 1.108 514 A HN 0.154 nan 8.150 nan 0.000 0.621 515 D N 0.870 121.321 120.400 0.086 0.000 2.764 515 D HA 0.181 4.835 4.640 0.023 0.000 0.227 515 D C -0.398 175.975 176.300 0.122 0.000 1.347 515 D CA -0.413 53.642 54.000 0.093 0.000 0.953 515 D CB 1.305 42.170 40.800 0.107 0.000 1.476 515 D HN 0.297 nan 8.370 nan 0.000 0.585 516 D N 1.870 122.312 120.400 0.070 0.000 2.319 516 D HA 0.025 4.679 4.640 0.023 0.000 0.230 516 D C 0.345 176.679 176.300 0.055 0.000 1.094 516 D CA 0.057 54.099 54.000 0.069 0.000 0.856 516 D CB -0.337 40.478 40.800 0.025 0.000 0.915 516 D HN 0.227 nan 8.370 nan 0.000 0.517 517 N N -0.437 118.291 118.700 0.047 0.000 2.398 517 N HA 0.165 4.919 4.740 0.023 0.000 0.188 517 N C 0.214 175.857 175.510 0.222 0.000 1.122 517 N CA -0.165 52.893 53.050 0.013 0.000 0.866 517 N CB 0.298 38.594 38.487 -0.319 0.000 0.970 517 N HN 0.173 nan 8.380 nan 0.000 0.462 518 L N 0.083 121.476 121.223 0.283 0.000 2.479 518 L HA -0.035 4.319 4.340 0.023 0.000 0.270 518 L C 1.488 178.538 176.870 0.299 0.000 1.236 518 L CA -0.227 54.827 54.840 0.356 0.000 0.823 518 L CB 0.689 43.030 42.059 0.469 0.000 1.098 518 L HN -0.017 nan 8.230 nan 0.000 0.500 519 V N 1.057 121.169 119.914 0.329 0.000 2.379 519 V HA -0.133 4.001 4.120 0.023 0.000 0.243 519 V C 0.578 176.876 176.094 0.340 0.000 1.035 519 V CA 0.791 63.246 62.300 0.259 0.000 1.035 519 V CB -0.303 31.682 31.823 0.271 0.000 0.673 519 V HN 0.473 nan 8.190 nan 0.000 0.457 520 F N 1.653 121.795 119.950 0.319 0.000 2.399 520 F HA 0.363 4.904 4.527 0.023 0.000 0.342 520 F C 0.274 176.108 175.800 0.057 0.000 1.106 520 F CA -1.004 57.116 58.000 0.199 0.000 1.196 520 F CB 0.716 39.642 39.000 -0.122 0.000 1.163 520 F HN 0.018 nan 8.300 nan 0.000 0.547 521 D N 5.344 125.490 120.400 -0.423 0.000 2.441 521 D HA 0.066 4.720 4.640 0.023 0.000 0.221 521 D C 0.507 176.699 176.300 -0.180 0.000 1.156 521 D CA 0.032 53.922 54.000 -0.183 0.000 0.896 521 D CB -0.184 40.492 40.800 -0.206 0.000 1.028 521 D HN 0.448 nan 8.370 nan 0.000 0.509 522 F N 1.009 121.114 119.950 0.259 0.000 2.546 522 F HA -0.088 4.452 4.527 0.023 0.000 0.298 522 F C 2.624 178.499 175.800 0.126 0.000 1.120 522 F CA 0.997 59.179 58.000 0.304 0.000 1.456 522 F CB -0.129 39.054 39.000 0.305 0.000 1.088 522 F HN 0.388 nan 8.300 nan 0.000 0.572 523 T N -3.158 111.499 114.554 0.173 0.000 3.055 523 T HA -0.073 4.291 4.350 0.023 0.000 0.265 523 T C 0.917 175.621 174.700 0.006 0.000 1.111 523 T CA 0.791 62.938 62.100 0.079 0.000 1.118 523 T CB -0.209 68.680 68.868 0.036 0.000 0.909 523 T HN 0.101 nan 8.240 nan 0.000 0.501 524 N N 0.511 119.170 118.700 -0.069 0.000 2.726 524 N HA 0.276 5.030 4.740 0.023 0.000 0.253 524 N C 0.612 175.971 175.510 -0.251 0.000 1.530 524 N CA -0.253 52.720 53.050 -0.128 0.000 0.772 524 N CB 0.816 39.231 38.487 -0.120 0.000 1.220 524 N HN 0.031 nan 8.380 nan 0.000 0.508 525 V N 1.695 121.476 119.914 -0.222 0.000 2.287 525 V HA -0.198 3.936 4.120 0.023 0.000 0.248 525 V C 2.271 177.917 176.094 -0.746 0.000 1.053 525 V CA 1.788 63.861 62.300 -0.378 0.000 1.027 525 V CB -0.210 31.418 31.823 -0.324 0.000 0.646 525 V HN 0.513 nan 8.190 nan 0.000 0.447 526 R N -0.094 120.100 120.500 -0.510 0.000 2.092 526 R HA -0.065 4.289 4.340 0.023 0.000 0.231 526 R C 2.482 178.657 176.300 -0.207 0.000 1.119 526 R CA 1.249 57.112 56.100 -0.394 0.000 0.970 526 R CB -0.811 29.398 30.300 -0.152 0.000 0.864 526 R HN 0.597 nan 8.270 nan 0.000 0.440 527 G N 1.335 110.029 108.800 -0.177 0.000 2.440 527 G HA2 -0.268 3.706 3.960 0.023 0.000 0.218 527 G HA3 -0.268 3.706 3.960 0.023 0.000 0.218 527 G C 1.232 176.067 174.900 -0.109 0.000 1.154 527 G CA 0.621 45.656 45.100 -0.110 0.000 0.767 527 G HN 0.225 nan 8.290 nan 0.000 0.552 528 E N 0.217 120.273 120.200 -0.240 0.000 2.107 528 E HA -0.037 4.327 4.350 0.023 0.000 0.191 528 E C 2.331 178.956 176.600 0.041 0.000 0.982 528 E CA 0.380 56.636 56.400 -0.240 0.000 0.809 528 E CB -0.334 28.840 29.700 -0.877 0.000 0.756 528 E HN 0.401 nan 8.360 nan 0.000 0.459 529 F N 1.278 121.182 119.950 -0.076 0.000 2.126 529 F HA -0.124 4.417 4.527 0.023 0.000 0.299 529 F C 2.491 178.293 175.800 0.003 0.000 1.096 529 F CA 0.722 58.695 58.000 -0.045 0.000 1.255 529 F CB -1.467 37.464 39.000 -0.116 0.000 0.997 529 F HN -0.021 nan 8.300 nan 0.000 0.479 530 A N -0.161 122.773 122.820 0.189 0.000 1.902 530 A HA -0.241 4.093 4.320 0.023 0.000 0.217 530 A C 2.353 180.009 177.584 0.121 0.000 1.181 530 A CA 1.879 53.997 52.037 0.135 0.000 0.623 530 A CB -0.807 18.243 19.000 0.084 0.000 0.818 530 A HN 0.341 nan 8.150 nan 0.000 0.443 531 K N -0.662 119.805 120.400 0.111 0.000 2.063 531 K HA -0.129 4.205 4.320 0.023 0.000 0.208 531 K C 1.980 178.686 176.600 0.177 0.000 1.048 531 K CA 1.512 57.882 56.287 0.138 0.000 0.928 531 K CB -0.527 32.068 32.500 0.158 0.000 0.713 531 K HN 0.395 nan 8.250 nan 0.000 0.442 532 G N 0.098 108.996 108.800 0.163 0.000 2.422 532 G HA2 -0.207 3.767 3.960 0.023 0.000 0.218 532 G HA3 -0.207 3.767 3.960 0.023 0.000 0.218 532 G C 1.533 176.505 174.900 0.121 0.000 1.140 532 G CA 0.761 45.942 45.100 0.134 0.000 0.775 532 G HN 0.430 nan 8.290 nan 0.000 0.545 533 A N 0.665 123.557 122.820 0.121 0.000 1.933 533 A HA 0.131 4.465 4.320 0.023 0.000 0.218 533 A C 2.249 179.900 177.584 0.111 0.000 1.175 533 A CA 0.945 53.053 52.037 0.118 0.000 0.628 533 A CB -0.330 18.751 19.000 0.135 0.000 0.814 533 A HN 0.349 nan 8.150 nan 0.000 0.444 534 L N -1.716 119.573 121.223 0.111 0.000 2.610 534 L HA 0.039 4.393 4.340 0.023 0.000 0.232 534 L C 0.627 177.553 176.870 0.094 0.000 1.149 534 L CA 0.313 55.211 54.840 0.096 0.000 0.872 534 L CB -0.226 41.888 42.059 0.090 0.000 0.992 534 L HN 0.428 nan 8.230 nan 0.000 0.447 535 R N -0.499 120.067 120.500 0.111 0.000 3.654 535 R HA -0.191 4.163 4.340 0.023 0.000 0.302 535 R C 0.432 176.797 176.300 0.109 0.000 1.166 535 R CA 0.744 56.909 56.100 0.108 0.000 0.810 535 R CB -2.056 28.294 30.300 0.083 0.000 1.323 535 R HN 0.471 nan 8.270 nan 0.000 0.478 536 E N -0.326 119.953 120.200 0.131 0.000 2.526 536 E HA 0.111 4.475 4.350 0.023 0.000 0.208 536 E C -0.213 176.465 176.600 0.129 0.000 0.997 536 E CA -0.204 56.259 56.400 0.104 0.000 0.961 536 E CB 0.370 30.119 29.700 0.083 0.000 1.030 536 E HN 0.177 nan 8.360 nan 0.000 0.483 537 F N 2.316 122.289 119.950 0.038 0.000 2.404 537 F HA 0.220 4.761 4.527 0.023 0.000 0.339 537 F C -0.170 175.658 175.800 0.046 0.000 1.105 537 F CA -0.592 57.430 58.000 0.037 0.000 1.087 537 F CB 0.882 39.919 39.000 0.062 0.000 1.143 537 F HN -0.253 nan 8.300 nan 0.000 0.491 538 E N 7.687 127.617 120.200 -0.449 0.000 2.073 538 E HA 0.269 4.633 4.350 0.023 0.000 0.269 538 E C -2.384 174.089 176.600 -0.212 0.000 0.917 538 E CA -1.963 54.312 56.400 -0.208 0.000 0.757 538 E CB 0.823 30.413 29.700 -0.183 0.000 1.111 538 E HN 0.375 nan 8.360 nan 0.000 0.410 539 P HA 0.238 nan 4.420 nan 0.000 0.278 539 P C -0.763 176.616 177.300 0.132 0.000 1.258 539 P CA -0.449 62.822 63.100 0.285 0.000 0.811 539 P CB 1.184 33.081 31.700 0.330 0.000 1.063 540 A N -0.085 122.819 122.820 0.140 0.000 2.246 540 A HA 0.627 4.961 4.320 0.023 0.000 0.291 540 A C 1.149 178.775 177.584 0.070 0.000 1.103 540 A CA 0.099 52.185 52.037 0.082 0.000 0.844 540 A CB -0.537 18.512 19.000 0.082 0.000 1.136 540 A HN 0.833 nan 8.150 nan 0.000 0.500 541 G N -1.124 107.698 108.800 0.036 0.000 2.175 541 G HA2 -0.160 3.814 3.960 0.023 0.000 0.244 541 G HA3 -0.160 3.814 3.960 0.023 0.000 0.244 541 G C 0.077 174.989 174.900 0.020 0.000 0.982 541 G CA 0.316 45.429 45.100 0.022 0.000 0.641 541 G HN 0.729 nan 8.290 nan 0.000 0.527 542 E N -0.226 119.987 120.200 0.022 0.000 2.392 542 E HA 0.470 4.834 4.350 0.023 0.000 0.259 542 E C 1.065 177.663 176.600 -0.003 0.000 1.108 542 E CA -0.267 56.142 56.400 0.016 0.000 0.916 542 E CB 0.531 30.242 29.700 0.019 0.000 0.989 542 E HN 0.259 nan 8.360 nan 0.000 0.432 543 R N 0.726 121.224 120.500 -0.003 0.000 2.427 543 R HA 0.177 4.531 4.340 0.023 0.000 0.262 543 R C 1.476 177.764 176.300 -0.020 0.000 0.943 543 R CA 0.443 56.535 56.100 -0.013 0.000 1.081 543 R CB -0.091 30.208 30.300 -0.002 0.000 1.166 543 R HN 0.535 nan 8.270 nan 0.000 0.534 544 A N 0.665 123.474 122.820 -0.018 0.000 1.986 544 A HA -0.191 4.143 4.320 0.023 0.000 0.220 544 A C 1.802 179.367 177.584 -0.031 0.000 1.171 544 A CA 1.351 53.378 52.037 -0.018 0.000 0.640 544 A CB -0.331 18.661 19.000 -0.013 0.000 0.811 544 A HN 0.334 nan 8.150 nan 0.000 0.451 545 L N -0.017 121.170 121.223 -0.060 0.000 2.275 545 L HA 0.044 4.398 4.340 0.023 0.000 0.215 545 L C 1.568 178.396 176.870 -0.070 0.000 1.119 545 L CA 1.762 56.548 54.840 -0.090 0.000 0.790 545 L CB -0.289 41.655 42.059 -0.191 0.000 0.919 545 L HN 0.587 nan 8.230 nan 0.000 0.443 546 I N -3.130 117.410 120.570 -0.049 0.000 3.856 546 I HA 0.335 4.519 4.170 0.023 0.000 0.330 546 I C -0.048 176.068 176.117 -0.001 0.000 1.546 546 I CA -0.058 61.232 61.300 -0.017 0.000 1.132 546 I CB -0.374 37.621 38.000 -0.008 0.000 1.157 546 I HN 0.140 nan 8.210 nan 0.000 0.440 547 T N -1.809 112.742 114.554 -0.005 0.000 2.916 547 T HA 0.696 5.060 4.350 0.023 0.000 0.292 547 T C -2.654 172.048 174.700 0.003 0.000 1.055 547 T CA -1.577 60.524 62.100 0.002 0.000 1.009 547 T CB 1.571 70.440 68.868 0.001 0.000 1.118 547 T HN -0.115 nan 8.240 nan 0.000 0.497 548 P HA 0.467 nan 4.420 nan 0.000 0.270 548 P C 0.039 177.341 177.300 0.004 0.000 1.223 548 P CA -0.474 62.629 63.100 0.006 0.000 0.785 548 P CB -0.041 31.663 31.700 0.006 0.000 0.923 549 A N 0.000 122.823 122.820 0.005 0.000 2.254 549 A HA 0.000 4.334 4.320 0.023 0.000 0.244 549 A CA 0.000 52.039 52.037 0.004 0.000 0.836 549 A CB 0.000 19.003 19.000 0.005 0.000 0.831 549 A HN 0.000 nan 8.150 nan 0.000 0.486