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 3m2v_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 1.781 122.155 120.400 -0.044 0.000 2.423 3 D HA 0.278 4.933 4.640 0.024 0.000 0.238 3 D C 0.181 176.383 176.300 -0.163 0.000 1.142 3 D CA 0.346 54.294 54.000 -0.087 0.000 0.884 3 D CB 0.576 41.318 40.800 -0.098 0.000 1.199 3 D HN 0.321 nan 8.370 nan 0.000 0.438 4 K N 1.579 121.805 120.400 -0.290 0.000 2.440 4 K HA 0.028 4.362 4.320 0.024 0.000 0.270 4 K C 1.332 177.576 176.600 -0.593 0.000 0.980 4 K CA -0.017 55.949 56.287 -0.535 0.000 0.953 4 K CB 0.217 32.024 32.500 -1.156 0.000 0.925 4 K HN 0.395 nan 8.250 nan 0.000 0.497 5 L N 1.514 122.487 121.223 -0.418 0.000 2.362 5 L HA -0.113 4.242 4.340 0.024 0.000 0.219 5 L C 1.537 178.314 176.870 -0.155 0.000 1.134 5 L CA 0.920 55.644 54.840 -0.193 0.000 0.807 5 L CB -0.411 41.637 42.059 -0.017 0.000 0.927 5 L HN 0.557 nan 8.230 nan 0.000 0.447 6 F N -2.808 117.118 119.950 -0.040 0.000 2.765 6 F HA 0.197 4.738 4.527 0.023 0.000 0.302 6 F C 1.931 177.689 175.800 -0.070 0.000 1.111 6 F CA -0.384 57.581 58.000 -0.059 0.000 1.359 6 F CB -0.751 38.188 39.000 -0.102 0.000 1.097 6 F HN -0.162 nan 8.300 nan 0.000 0.577 7 I N 1.470 121.928 120.570 -0.188 0.000 2.179 7 I HA -0.256 3.929 4.170 0.024 0.000 0.242 7 I C 1.914 178.052 176.117 0.034 0.000 1.088 7 I CA 1.133 62.387 61.300 -0.076 0.000 1.357 7 I CB -1.162 36.726 38.000 -0.186 0.000 1.051 7 I HN 0.244 nan 8.210 nan 0.000 0.409 8 N N 1.383 120.103 118.700 0.032 0.000 2.069 8 N HA -0.143 4.612 4.740 0.024 0.000 0.191 8 N C 1.943 177.537 175.510 0.140 0.000 1.031 8 N CA 1.775 54.870 53.050 0.075 0.000 0.852 8 N CB -0.342 38.199 38.487 0.091 0.000 1.018 8 N HN 0.373 nan 8.380 nan 0.000 0.423 9 A N 1.231 124.175 122.820 0.207 0.000 1.908 9 A HA -0.078 4.257 4.320 0.024 0.000 0.218 9 A C 2.396 180.069 177.584 0.148 0.000 1.181 9 A CA 1.035 53.239 52.037 0.279 0.000 0.627 9 A CB -0.760 18.366 19.000 0.210 0.000 0.818 9 A HN 0.243 nan 8.150 nan 0.000 0.445 10 L N -0.906 120.405 121.223 0.147 0.000 2.093 10 L HA -0.172 4.182 4.340 0.024 0.000 0.208 10 L C 2.500 179.435 176.870 0.108 0.000 1.085 10 L CA 1.512 56.439 54.840 0.146 0.000 0.755 10 L CB -0.446 41.757 42.059 0.241 0.000 0.904 10 L HN 0.357 nan 8.230 nan 0.000 0.435 11 K N 0.178 120.629 120.400 0.084 0.000 2.097 11 K HA -0.151 4.183 4.320 0.024 0.000 0.206 11 K C 2.093 178.674 176.600 -0.033 0.000 1.049 11 K CA 1.071 57.386 56.287 0.046 0.000 0.933 11 K CB -0.035 32.484 32.500 0.032 0.000 0.717 11 K HN 0.254 nan 8.250 nan 0.000 0.442 12 K N 0.920 121.262 120.400 -0.097 0.000 2.155 12 K HA -0.082 4.252 4.320 0.024 0.000 0.203 12 K C 1.851 178.303 176.600 -0.245 0.000 1.052 12 K CA 0.993 57.145 56.287 -0.226 0.000 0.948 12 K CB 0.097 32.297 32.500 -0.499 0.000 0.728 12 K HN 0.108 nan 8.250 nan 0.000 0.448 13 K N -0.421 119.786 120.400 -0.321 0.000 2.167 13 K HA 0.012 4.346 4.320 0.024 0.000 0.203 13 K C 0.128 176.321 176.600 -0.678 0.000 1.052 13 K CA 0.766 56.666 56.287 -0.644 0.000 0.956 13 K CB 0.182 31.950 32.500 -1.220 0.000 0.735 13 K HN -0.082 nan 8.250 nan 0.000 0.451 14 F N -0.057 119.880 119.950 -0.021 0.000 2.588 14 F HA 0.236 4.777 4.527 0.024 0.000 0.314 14 F C 1.021 176.803 175.800 -0.030 0.000 1.069 14 F CA -1.258 56.727 58.000 -0.025 0.000 0.931 14 F CB 1.695 40.691 39.000 -0.007 0.000 1.260 14 F HN -0.214 nan 8.300 nan 0.000 0.465 15 E N 0.132 120.435 120.200 0.172 0.000 2.106 15 E HA -0.110 4.254 4.350 0.024 0.000 0.192 15 E C -0.147 176.491 176.600 0.064 0.000 0.984 15 E CA 0.936 57.378 56.400 0.071 0.000 0.806 15 E CB 0.046 29.763 29.700 0.028 0.000 0.750 15 E HN 0.559 nan 8.360 nan 0.000 0.458 16 E N 1.174 121.416 120.200 0.070 0.000 2.418 16 E HA 0.017 4.382 4.350 0.024 0.000 0.261 16 E C -0.193 176.457 176.600 0.083 0.000 1.070 16 E CA -0.107 56.316 56.400 0.039 0.000 0.931 16 E CB 0.627 30.312 29.700 -0.025 0.000 0.954 16 E HN 0.059 nan 8.360 nan 0.000 0.439 17 S N 2.537 118.275 115.700 0.064 0.000 2.572 17 S HA 0.090 4.575 4.470 0.024 0.000 0.279 17 S C -1.663 173.017 174.600 0.134 0.000 1.341 17 S CA -1.098 57.159 58.200 0.095 0.000 1.043 17 S CB 0.745 63.990 63.200 0.075 0.000 0.887 17 S HN 0.353 nan 8.310 nan 0.000 0.516 18 P HA -0.032 nan 4.420 nan 0.000 0.225 18 P C 0.497 177.983 177.300 0.309 0.000 1.148 18 P CA 0.967 64.235 63.100 0.280 0.000 0.779 18 P CB -0.036 31.857 31.700 0.323 0.000 0.780 19 E N -0.166 120.176 120.200 0.236 0.000 2.371 19 E HA -0.020 4.344 4.350 0.024 0.000 0.194 19 E C 0.489 177.102 176.600 0.022 0.000 1.012 19 E CA 0.233 56.685 56.400 0.087 0.000 0.860 19 E CB -0.469 29.240 29.700 0.015 0.000 0.811 19 E HN 0.478 nan 8.360 nan 0.000 0.502 20 E N 1.168 121.382 120.200 0.024 0.000 2.414 20 E HA 0.000 4.365 4.350 0.024 0.000 0.263 20 E C 0.406 176.977 176.600 -0.048 0.000 1.000 20 E CA 0.214 56.602 56.400 -0.021 0.000 0.914 20 E CB 0.665 30.346 29.700 -0.032 0.000 0.948 20 E HN 0.112 nan 8.360 nan 0.000 0.444 21 K N 1.899 122.266 120.400 -0.055 0.000 2.379 21 K HA 0.073 4.407 4.320 0.024 0.000 0.194 21 K C 0.234 176.787 176.600 -0.078 0.000 1.031 21 K CA 0.598 56.850 56.287 -0.059 0.000 1.037 21 K CB 0.384 32.856 32.500 -0.047 0.000 0.824 21 K HN 0.263 nan 8.250 nan 0.000 0.516 22 K N -0.065 120.272 120.400 -0.104 0.000 2.443 22 K HA 0.366 4.700 4.320 0.024 0.000 0.251 22 K C -0.581 175.885 176.600 -0.223 0.000 0.972 22 K CA -0.524 55.678 56.287 -0.141 0.000 0.833 22 K CB 2.455 34.890 32.500 -0.107 0.000 1.317 22 K HN -0.191 nan 8.250 nan 0.000 0.441 23 T N -0.695 113.649 114.554 -0.350 0.000 2.645 23 T HA 0.375 4.739 4.350 0.024 0.000 0.300 23 T C -1.419 172.902 174.700 -0.631 0.000 1.210 23 T CA -0.356 61.455 62.100 -0.482 0.000 1.034 23 T CB 1.826 70.337 68.868 -0.596 0.000 1.537 23 T HN 0.437 nan 8.240 nan 0.000 0.492 24 T N 1.621 115.778 114.554 -0.661 0.000 2.829 24 T HA 0.770 5.135 4.350 0.024 0.000 0.280 24 T C -1.420 172.867 174.700 -0.689 0.000 0.999 24 T CA -0.197 61.577 62.100 -0.545 0.000 0.983 24 T CB 0.435 69.150 68.868 -0.256 0.000 0.968 24 T HN 0.327 nan 8.240 nan 0.000 0.446 25 F N 1.077 120.836 119.950 -0.318 0.000 2.639 25 F HA 0.541 5.082 4.527 0.024 0.000 0.339 25 F C 0.233 175.750 175.800 -0.471 0.000 1.071 25 F CA -1.329 56.310 58.000 -0.602 0.000 0.994 25 F CB 0.630 38.873 39.000 -1.261 0.000 1.341 25 F HN 0.640 nan 8.300 nan 0.000 0.498 26 Y N -2.092 118.327 120.300 0.199 0.000 4.779 26 Y HA -0.280 4.285 4.550 0.024 0.000 0.284 26 Y C 1.291 177.216 175.900 0.041 0.000 0.973 26 Y CA 0.909 59.062 58.100 0.089 0.000 1.792 26 Y CB -2.649 35.857 38.460 0.076 0.000 1.120 26 Y HN 0.548 nan 8.280 nan 0.000 0.450 27 T N -2.569 112.056 114.554 0.119 0.000 3.248 27 T HA 0.551 4.915 4.350 0.024 0.000 0.271 27 T C 0.741 175.450 174.700 0.015 0.000 1.005 27 T CA 0.141 62.277 62.100 0.060 0.000 0.902 27 T CB -0.483 68.412 68.868 0.044 0.000 1.102 27 T HN 0.349 nan 8.240 nan 0.000 0.548 28 L N 0.398 121.629 121.223 0.014 0.000 2.640 28 L HA 0.519 4.873 4.340 0.024 0.000 0.230 28 L C 1.804 178.647 176.870 -0.045 0.000 1.123 28 L CA 0.004 54.837 54.840 -0.012 0.000 0.900 28 L CB -0.245 41.817 42.059 0.004 0.000 1.146 28 L HN 0.509 nan 8.230 nan 0.000 0.484 29 G N 0.097 108.863 108.800 -0.057 0.000 2.136 29 G HA2 -0.107 3.867 3.960 0.024 0.000 0.242 29 G HA3 -0.107 3.867 3.960 0.024 0.000 0.242 29 G C 0.792 175.576 174.900 -0.193 0.000 0.989 29 G CA 0.127 45.146 45.100 -0.135 0.000 0.682 29 G HN 0.778 nan 8.290 nan 0.000 0.522 30 G N 0.153 108.907 108.800 -0.077 0.000 2.550 30 G HA2 -0.267 3.708 3.960 0.024 0.000 0.277 30 G HA3 -0.267 3.708 3.960 0.024 0.000 0.277 30 G C 1.307 176.210 174.900 0.005 0.000 1.190 30 G CA 1.549 46.636 45.100 -0.022 0.000 0.971 30 G HN 1.742 nan 8.290 nan 0.000 0.559 31 W N 0.826 122.148 121.300 0.036 0.000 2.468 31 W HA 0.070 4.745 4.660 0.024 0.000 0.262 31 W C 1.763 178.294 176.519 0.021 0.000 1.241 31 W CA 1.178 58.545 57.345 0.037 0.000 1.232 31 W CB -0.585 28.914 29.460 0.065 0.000 1.124 31 W HN 0.523 nan 8.180 nan 0.000 0.597 32 K N 1.471 121.560 120.400 -0.518 0.000 2.362 32 K HA -0.200 4.135 4.320 0.024 0.000 0.200 32 K C 2.259 178.768 176.600 -0.151 0.000 1.046 32 K CA 1.761 57.755 56.287 -0.490 0.000 0.952 32 K CB -0.290 31.776 32.500 -0.722 0.000 0.753 32 K HN 0.413 nan 8.250 nan 0.000 0.466 33 Q N 0.399 120.150 119.800 -0.082 0.000 2.364 33 Q HA -0.044 4.311 4.340 0.024 0.000 0.207 33 Q C 0.593 176.593 176.000 -0.001 0.000 0.970 33 Q CA 0.816 56.598 55.803 -0.035 0.000 0.888 33 Q CB 0.122 28.850 28.738 -0.017 0.000 0.951 33 Q HN -0.029 nan 8.270 nan 0.000 0.469 34 S N -0.072 115.654 115.700 0.042 0.000 2.449 34 S HA 0.105 4.589 4.470 0.024 0.000 0.310 34 S C 0.498 175.113 174.600 0.026 0.000 1.096 34 S CA -0.710 57.508 58.200 0.030 0.000 1.095 34 S CB 1.721 64.949 63.200 0.046 0.000 1.007 34 S HN 0.445 nan 8.310 nan 0.000 0.474 35 E N 3.650 123.842 120.200 -0.012 0.000 2.085 35 E HA -0.228 4.137 4.350 0.024 0.000 0.194 35 E C 1.844 178.389 176.600 -0.090 0.000 0.994 35 E CA 1.154 57.540 56.400 -0.023 0.000 0.801 35 E CB -0.057 29.628 29.700 -0.025 0.000 0.743 35 E HN 0.653 nan 8.360 nan 0.000 0.453 36 R N 0.690 121.082 120.500 -0.181 0.000 2.073 36 R HA -0.043 4.312 4.340 0.024 0.000 0.229 36 R C 2.136 178.020 176.300 -0.693 0.000 1.120 36 R CA 1.396 57.224 56.100 -0.452 0.000 0.967 36 R CB -0.020 30.001 30.300 -0.466 0.000 0.862 36 R HN -0.009 nan 8.270 nan 0.000 0.436 37 K N -0.331 119.848 120.400 -0.368 0.000 2.147 37 K HA -0.043 4.291 4.320 0.024 0.000 0.205 37 K C 1.959 178.522 176.600 -0.062 0.000 1.049 37 K CA 1.785 57.948 56.287 -0.207 0.000 0.936 37 K CB -0.543 32.038 32.500 0.136 0.000 0.722 37 K HN 0.244 nan 8.250 nan 0.000 0.446 38 T N 1.387 116.000 114.554 0.098 0.000 2.746 38 T HA -0.158 4.206 4.350 0.024 0.000 0.267 38 T C 1.815 176.543 174.700 0.047 0.000 1.039 38 T CA 1.419 63.654 62.100 0.224 0.000 1.142 38 T CB -0.074 68.950 68.868 0.260 0.000 0.866 38 T HN 0.417 nan 8.240 nan 0.000 0.444 39 E N -0.128 120.052 120.200 -0.034 0.000 2.085 39 E HA -0.166 4.199 4.350 0.024 0.000 0.194 39 E C 1.671 178.321 176.600 0.082 0.000 0.994 39 E CA 1.165 57.567 56.400 0.002 0.000 0.801 39 E CB -0.094 29.591 29.700 -0.026 0.000 0.743 39 E HN 0.411 nan 8.360 nan 0.000 0.453 40 F N 0.039 119.846 119.950 -0.239 0.000 2.234 40 F HA -0.045 4.497 4.527 0.024 0.000 0.296 40 F C 2.316 177.809 175.800 -0.511 0.000 1.089 40 F CA 0.310 58.004 58.000 -0.511 0.000 1.343 40 F CB -0.887 37.613 39.000 -0.833 0.000 1.040 40 F HN -0.051 nan 8.300 nan 0.000 0.498 41 V N 0.548 120.384 119.914 -0.130 0.000 2.343 41 V HA -0.305 3.829 4.120 0.024 0.000 0.247 41 V C 1.882 177.943 176.094 -0.055 0.000 1.051 41 V CA 2.066 64.291 62.300 -0.125 0.000 1.036 41 V CB -0.923 30.553 31.823 -0.577 0.000 0.654 41 V HN 0.339 nan 8.190 nan 0.000 0.451 42 N N 0.350 119.031 118.700 -0.031 0.000 2.120 42 N HA -0.124 4.631 4.740 0.024 0.000 0.188 42 N C 1.901 177.408 175.510 -0.006 0.000 1.024 42 N CA 1.219 54.273 53.050 0.007 0.000 0.852 42 N CB -0.318 38.188 38.487 0.032 0.000 1.003 42 N HN 0.483 nan 8.380 nan 0.000 0.424 43 A N 0.737 123.541 122.820 -0.028 0.000 1.930 43 A HA 0.024 4.359 4.320 0.024 0.000 0.217 43 A C 2.339 179.887 177.584 -0.060 0.000 1.175 43 A CA 1.599 53.606 52.037 -0.051 0.000 0.627 43 A CB -1.079 17.870 19.000 -0.084 0.000 0.815 43 A HN 0.386 nan 8.150 nan 0.000 0.443 44 G N -0.268 108.498 108.800 -0.056 0.000 2.422 44 G HA2 -0.211 3.763 3.960 0.024 0.000 0.218 44 G HA3 -0.211 3.763 3.960 0.024 0.000 0.218 44 G C 1.667 176.580 174.900 0.022 0.000 1.146 44 G CA 1.067 46.180 45.100 0.022 0.000 0.769 44 G HN 0.568 nan 8.290 nan 0.000 0.547 45 K N 0.029 120.440 120.400 0.018 0.000 2.057 45 K HA -0.031 4.303 4.320 0.024 0.000 0.206 45 K C 2.327 178.931 176.600 0.006 0.000 1.050 45 K CA 1.115 57.410 56.287 0.014 0.000 0.935 45 K CB -0.124 32.387 32.500 0.019 0.000 0.715 45 K HN 0.404 nan 8.250 nan 0.000 0.439 46 E N 0.716 120.916 120.200 -0.001 0.000 2.031 46 E HA -0.184 4.180 4.350 0.024 0.000 0.193 46 E C 1.976 178.570 176.600 -0.010 0.000 0.994 46 E CA 1.229 57.626 56.400 -0.005 0.000 0.800 46 E CB 0.129 29.824 29.700 -0.008 0.000 0.752 46 E HN 0.003 nan 8.360 nan 0.000 0.447 47 V N 1.221 121.123 119.914 -0.019 0.000 2.332 47 V HA -0.306 3.828 4.120 0.024 0.000 0.248 47 V C 2.422 178.507 176.094 -0.015 0.000 1.055 47 V CA 1.980 64.265 62.300 -0.025 0.000 1.038 47 V CB -0.757 31.041 31.823 -0.041 0.000 0.651 47 V HN 0.453 nan 8.190 nan 0.000 0.450 48 A N -0.432 122.383 122.820 -0.008 0.000 1.930 48 A HA -0.041 4.293 4.320 0.024 0.000 0.217 48 A C 2.373 179.954 177.584 -0.004 0.000 1.175 48 A CA 1.934 53.968 52.037 -0.005 0.000 0.627 48 A CB -0.625 18.375 19.000 -0.001 0.000 0.815 48 A HN 0.570 nan 8.150 nan 0.000 0.443 49 A N -0.210 122.609 122.820 -0.002 0.000 1.897 49 A HA -0.083 4.251 4.320 0.024 0.000 0.215 49 A C 2.088 179.671 177.584 -0.002 0.000 1.181 49 A CA 1.827 53.864 52.037 -0.000 0.000 0.620 49 A CB -0.425 18.576 19.000 0.003 0.000 0.821 49 A HN 0.528 nan 8.150 nan 0.000 0.443 50 K N 0.241 120.638 120.400 -0.005 0.000 2.044 50 K HA -0.207 4.128 4.320 0.024 0.000 0.210 50 K C 2.147 178.743 176.600 -0.007 0.000 1.049 50 K CA 1.918 58.201 56.287 -0.006 0.000 0.927 50 K CB -0.156 32.338 32.500 -0.010 0.000 0.713 50 K HN 0.603 nan 8.250 nan 0.000 0.443 51 R N -1.256 119.239 120.500 -0.009 0.000 2.334 51 R HA 0.131 4.485 4.340 0.024 0.000 0.212 51 R C 0.779 177.074 176.300 -0.007 0.000 0.897 51 R CA 0.769 56.864 56.100 -0.009 0.000 1.056 51 R CB 0.316 30.608 30.300 -0.013 0.000 1.046 51 R HN 0.264 nan 8.270 nan 0.000 0.513 52 G N 1.731 110.528 108.800 -0.006 0.000 2.176 52 G HA2 -0.224 3.750 3.960 0.024 0.000 0.252 52 G HA3 -0.224 3.750 3.960 0.024 0.000 0.252 52 G C -0.147 174.749 174.900 -0.006 0.000 1.024 52 G CA 0.521 45.618 45.100 -0.005 0.000 0.755 52 G HN 0.375 nan 8.290 nan 0.000 0.507 53 I N 0.015 120.580 120.570 -0.008 0.000 2.512 53 I HA 0.298 4.483 4.170 0.024 0.000 0.287 53 I C -2.332 173.778 176.117 -0.010 0.000 1.069 53 I CA -2.545 58.749 61.300 -0.010 0.000 1.056 53 I CB 2.448 40.441 38.000 -0.012 0.000 1.229 53 I HN -0.192 nan 8.210 nan 0.000 0.429 54 P HA -0.018 nan 4.420 nan 0.000 0.266 54 P C -0.608 176.684 177.300 -0.015 0.000 1.186 54 P CA 0.369 63.462 63.100 -0.013 0.000 0.767 54 P CB 0.916 32.606 31.700 -0.017 0.000 0.820 55 Q N 1.957 121.752 119.800 -0.009 0.000 3.024 55 Q HA 0.184 4.538 4.340 0.024 0.000 0.262 55 Q C -0.687 175.320 176.000 0.011 0.000 1.077 55 Q CA -0.542 55.261 55.803 0.000 0.000 0.549 55 Q CB 0.210 28.952 28.738 0.007 0.000 4.587 55 Q HN 0.298 nan 8.270 nan 0.000 0.284 56 Y N 2.815 123.059 120.300 -0.093 0.000 2.632 56 Y HA 0.129 4.694 4.550 0.024 0.000 0.329 56 Y C -0.698 175.140 175.900 -0.103 0.000 1.174 56 Y CA 0.864 58.901 58.100 -0.106 0.000 1.469 56 Y CB 0.332 38.713 38.460 -0.132 0.000 1.242 56 Y HN 0.389 nan 8.280 nan 0.000 0.540 57 N N 7.882 126.315 118.700 -0.445 0.000 2.542 57 N HA 0.241 4.996 4.740 0.024 0.000 0.288 57 N C -2.543 172.704 175.510 -0.439 0.000 1.115 57 N CA -1.873 51.006 53.050 -0.285 0.000 0.924 57 N CB 1.898 40.294 38.487 -0.152 0.000 1.526 57 N HN 0.317 nan 8.380 nan 0.000 0.515 58 P HA 0.088 nan 4.420 nan 0.000 0.237 58 P C -0.253 176.968 177.300 -0.131 0.000 1.178 58 P CA 0.685 63.562 63.100 -0.370 0.000 0.766 58 P CB 0.558 31.875 31.700 -0.640 0.000 0.876 59 D N -0.629 119.719 120.400 -0.087 0.000 2.339 59 D HA 0.090 4.744 4.640 0.024 0.000 0.217 59 D C 0.757 177.032 176.300 -0.041 0.000 1.050 59 D CA 0.105 54.097 54.000 -0.014 0.000 0.856 59 D CB 0.272 41.081 40.800 0.016 0.000 0.922 59 D HN 0.157 nan 8.370 nan 0.000 0.518 60 I N 0.793 121.308 120.570 -0.092 0.000 2.428 60 I HA 0.307 4.492 4.170 0.024 0.000 0.289 60 I C 1.619 177.696 176.117 -0.067 0.000 1.019 60 I CA 0.339 61.590 61.300 -0.082 0.000 1.351 60 I CB 0.481 38.409 38.000 -0.121 0.000 1.412 60 I HN 0.126 nan 8.210 nan 0.000 0.513 61 G N 5.478 114.254 108.800 -0.041 0.000 2.601 61 G HA2 -0.203 3.772 3.960 0.024 0.000 0.252 61 G HA3 -0.203 3.772 3.960 0.024 0.000 0.252 61 G C 0.021 174.912 174.900 -0.014 0.000 1.294 61 G CA -0.028 45.055 45.100 -0.028 0.000 0.912 61 G HN 0.906 nan 8.290 nan 0.000 0.574 62 T N 0.029 114.579 114.554 -0.006 0.000 2.922 62 T HA 0.680 5.044 4.350 0.024 0.000 0.285 62 T C -2.082 172.634 174.700 0.027 0.000 1.005 62 T CA -0.500 61.605 62.100 0.009 0.000 1.061 62 T CB 2.068 70.940 68.868 0.008 0.000 1.007 62 T HN 0.802 nan 8.240 nan 0.000 0.502 63 P HA 0.352 nan 4.420 nan 0.000 0.288 63 P C -0.209 177.153 177.300 0.104 0.000 1.363 63 P CA -0.562 62.595 63.100 0.096 0.000 0.837 63 P CB 0.461 32.220 31.700 0.098 0.000 0.981 64 L N 2.168 123.465 121.223 0.123 0.000 2.499 64 L HA 0.230 4.584 4.340 0.024 0.000 0.281 64 L C 1.591 178.539 176.870 0.129 0.000 1.234 64 L CA 1.062 55.970 54.840 0.113 0.000 0.839 64 L CB -0.275 41.866 42.059 0.138 0.000 1.104 64 L HN 0.785 nan 8.230 nan 0.000 0.500 65 G N 0.893 109.742 108.800 0.082 0.000 2.140 65 G HA2 -0.191 3.783 3.960 0.024 0.000 0.211 65 G HA3 -0.191 3.783 3.960 0.024 0.000 0.211 65 G C 0.637 175.572 174.900 0.059 0.000 1.013 65 G CA -0.216 44.930 45.100 0.076 0.000 0.705 65 G HN 0.589 nan 8.290 nan 0.000 0.508 66 Q N -0.604 119.224 119.800 0.047 0.000 2.378 66 Q HA 0.049 4.404 4.340 0.024 0.000 0.205 66 Q C 1.778 177.766 176.000 -0.019 0.000 0.954 66 Q CA 1.577 57.421 55.803 0.067 0.000 0.901 66 Q CB 0.110 28.928 28.738 0.133 0.000 0.981 66 Q HN 0.965 nan 8.270 nan 0.000 0.483 67 R N -1.802 118.686 120.500 -0.020 0.000 2.943 67 R HA 0.614 4.968 4.340 0.024 0.000 0.246 67 R C -0.361 175.998 176.300 0.098 0.000 1.201 67 R CA -0.898 55.248 56.100 0.078 0.000 1.056 67 R CB 0.595 30.873 30.300 -0.036 0.000 1.243 67 R HN -0.272 nan 8.270 nan 0.000 0.498 68 V N 2.138 122.149 119.914 0.162 0.000 2.529 68 V HA 0.059 4.194 4.120 0.024 0.000 0.292 68 V C 0.289 176.436 176.094 0.087 0.000 1.028 68 V CA 0.022 62.405 62.300 0.138 0.000 1.074 68 V CB 0.453 32.425 31.823 0.247 0.000 0.958 68 V HN 0.426 nan 8.190 nan 0.000 0.481 69 L N 7.018 128.265 121.223 0.040 0.000 2.283 69 L HA 0.362 4.717 4.340 0.024 0.000 0.287 69 L C 0.295 177.136 176.870 -0.049 0.000 1.073 69 L CA 0.100 54.950 54.840 0.016 0.000 0.822 69 L CB 0.424 42.505 42.059 0.037 0.000 1.186 69 L HN 0.572 nan 8.230 nan 0.000 0.436 70 M N 5.613 125.139 119.600 -0.125 0.000 2.250 70 M HA 0.323 4.817 4.480 0.024 0.000 0.344 70 M C -2.076 174.012 176.300 -0.354 0.000 1.150 70 M CA -1.594 53.516 55.300 -0.317 0.000 1.147 70 M CB 0.678 32.978 32.600 -0.501 0.000 1.498 70 M HN 0.279 nan 8.290 nan 0.000 0.461 71 P HA 0.205 nan 4.420 nan 0.000 0.277 71 P C -1.796 175.332 177.300 -0.287 0.000 1.240 71 P CA -0.093 62.913 63.100 -0.157 0.000 0.798 71 P CB 0.479 32.179 31.700 -0.001 0.000 0.979 72 Y N -0.562 119.783 120.300 0.074 0.000 2.364 72 Y HA 0.316 4.880 4.550 0.024 0.000 0.340 72 Y C 0.996 176.830 175.900 -0.110 0.000 0.975 72 Y CA -0.573 57.533 58.100 0.010 0.000 1.089 72 Y CB 1.960 40.417 38.460 -0.004 0.000 1.192 72 Y HN 0.339 nan 8.280 nan 0.000 0.454 73 Q N 2.627 122.344 119.800 -0.138 0.000 2.288 73 Q HA 0.372 4.726 4.340 0.024 0.000 0.258 73 Q C -1.064 174.848 176.000 -0.146 0.000 0.957 73 Q CA -0.473 55.004 55.803 -0.543 0.000 0.919 73 Q CB 0.814 29.171 28.738 -0.635 0.000 1.185 73 Q HN 0.598 nan 8.270 nan 0.000 0.408 74 V N 4.252 124.110 119.914 -0.093 0.000 2.479 74 V HA 0.023 4.157 4.120 0.024 0.000 0.281 74 V C 0.224 176.335 176.094 0.027 0.000 1.031 74 V CA -0.061 62.280 62.300 0.068 0.000 1.038 74 V CB 0.982 32.878 31.823 0.122 0.000 0.981 74 V HN 0.817 nan 8.190 nan 0.000 0.478 75 S N 4.034 119.785 115.700 0.085 0.000 2.558 75 S HA 0.210 4.695 4.470 0.024 0.000 0.288 75 S C 1.264 175.893 174.600 0.047 0.000 1.318 75 S CA 0.587 58.824 58.200 0.063 0.000 1.056 75 S CB 0.505 63.764 63.200 0.099 0.000 0.853 75 S HN 1.488 nan 8.310 nan 0.000 0.505 76 T N -1.442 113.135 114.554 0.039 0.000 6.412 76 T HA -0.242 4.122 4.350 0.024 0.000 0.279 76 T C 0.152 174.858 174.700 0.010 0.000 2.177 76 T CA 1.517 63.636 62.100 0.032 0.000 3.599 76 T CB -2.696 66.191 68.868 0.032 0.000 1.259 76 T HN 1.081 nan 8.240 nan 0.000 1.146 77 T N -2.026 112.527 114.554 -0.003 0.000 2.910 77 T HA 0.658 5.022 4.350 0.024 0.000 0.287 77 T C -0.421 174.269 174.700 -0.016 0.000 1.050 77 T CA -0.315 61.781 62.100 -0.007 0.000 1.011 77 T CB 2.172 71.037 68.868 -0.006 0.000 1.195 77 T HN 0.040 nan 8.240 nan 0.000 0.540 78 D N 1.037 121.448 120.400 0.018 0.000 2.525 78 D HA 0.199 4.854 4.640 0.024 0.000 0.229 78 D C -0.262 176.097 176.300 0.099 0.000 1.202 78 D CA -0.039 54.005 54.000 0.074 0.000 0.828 78 D CB 0.395 41.263 40.800 0.115 0.000 1.008 78 D HN 0.504 nan 8.370 nan 0.000 0.493 79 T N 0.728 115.277 114.554 -0.008 0.000 2.771 79 T HA 0.269 4.634 4.350 0.024 0.000 0.291 79 T C -0.410 174.234 174.700 -0.092 0.000 0.954 79 T CA -0.151 61.970 62.100 0.035 0.000 1.045 79 T CB 0.704 69.598 68.868 0.044 0.000 0.917 79 T HN -0.051 nan 8.240 nan 0.000 0.484 80 Y N 2.393 122.730 120.300 0.062 0.000 2.341 80 Y HA 0.568 5.132 4.550 0.024 0.000 0.338 80 Y C 0.148 176.086 175.900 0.063 0.000 0.965 80 Y CA -0.894 57.241 58.100 0.058 0.000 1.108 80 Y CB 1.488 39.958 38.460 0.016 0.000 1.180 80 Y HN 0.482 nan 8.280 nan 0.000 0.458 81 V N -0.592 119.442 119.914 0.200 0.000 3.049 81 V HA 0.563 4.697 4.120 0.024 0.000 0.309 81 V C -0.547 175.655 176.094 0.180 0.000 1.148 81 V CA -1.455 60.944 62.300 0.165 0.000 0.990 81 V CB 1.925 33.841 31.823 0.154 0.000 1.039 81 V HN 0.693 nan 8.190 nan 0.000 0.430 82 E N 1.739 122.015 120.200 0.127 0.000 2.404 82 E HA 0.258 4.623 4.350 0.024 0.000 0.261 82 E C 1.324 178.071 176.600 0.245 0.000 1.074 82 E CA 0.371 56.850 56.400 0.133 0.000 0.917 82 E CB 1.262 30.990 29.700 0.047 0.000 0.965 82 E HN 1.040 nan 8.360 nan 0.000 0.433 83 G N 2.748 111.771 108.800 0.370 0.000 2.448 83 G HA2 -0.276 3.698 3.960 0.024 0.000 0.219 83 G HA3 -0.276 3.698 3.960 0.024 0.000 0.219 83 G C 0.711 175.751 174.900 0.232 0.000 1.127 83 G CA 0.881 46.198 45.100 0.361 0.000 0.766 83 G HN 0.516 nan 8.290 nan 0.000 0.552 84 D N 1.032 121.562 120.400 0.218 0.000 2.221 84 D HA -0.055 4.600 4.640 0.024 0.000 0.204 84 D C 1.482 177.920 176.300 0.230 0.000 0.982 84 D CA 1.031 55.182 54.000 0.253 0.000 0.857 84 D CB -0.048 40.916 40.800 0.272 0.000 0.934 84 D HN 0.177 nan 8.370 nan 0.000 0.475 85 D N -0.308 120.200 120.400 0.180 0.000 2.363 85 D HA 0.009 4.664 4.640 0.024 0.000 0.220 85 D C 1.385 177.770 176.300 0.142 0.000 0.994 85 D CA 0.395 54.487 54.000 0.152 0.000 0.890 85 D CB 0.134 41.012 40.800 0.130 0.000 0.906 85 D HN 0.304 nan 8.370 nan 0.000 0.530 86 L N -0.340 120.974 121.223 0.151 0.000 2.693 86 L HA 0.095 4.449 4.340 0.024 0.000 0.235 86 L C 0.863 177.800 176.870 0.111 0.000 1.127 86 L CA -0.292 54.619 54.840 0.119 0.000 0.914 86 L CB 0.149 42.284 42.059 0.127 0.000 1.193 86 L HN 0.053 nan 8.230 nan 0.000 0.502 87 H N 0.966 120.071 119.070 0.057 0.000 2.886 87 H HA -0.071 4.500 4.556 0.024 0.000 0.329 87 H C 0.983 176.304 175.328 -0.012 0.000 1.044 87 H CA 0.011 56.079 56.048 0.033 0.000 1.456 87 H CB 1.076 30.826 29.762 -0.019 0.000 1.464 87 H HN 0.251 nan 8.280 nan 0.000 0.573 88 F N 3.938 123.876 119.950 -0.020 0.000 2.250 88 F HA -0.146 4.395 4.527 0.024 0.000 0.301 88 F C 1.590 177.491 175.800 0.168 0.000 1.077 88 F CA 0.839 58.861 58.000 0.036 0.000 1.348 88 F CB -0.949 38.029 39.000 -0.036 0.000 1.040 88 F HN 0.241 nan 8.300 nan 0.000 0.509 89 V N 1.406 120.974 119.914 -0.576 0.000 2.427 89 V HA -0.247 3.887 4.120 0.024 0.000 0.248 89 V C 1.628 177.596 176.094 -0.210 0.000 1.051 89 V CA 2.076 64.048 62.300 -0.547 0.000 1.048 89 V CB -0.816 30.599 31.823 -0.679 0.000 0.666 89 V HN 0.405 nan 8.190 nan 0.000 0.456 90 N N 0.287 118.921 118.700 -0.110 0.000 2.336 90 N HA 0.038 4.792 4.740 0.024 0.000 0.189 90 N C 0.347 175.875 175.510 0.031 0.000 1.113 90 N CA 0.222 53.252 53.050 -0.035 0.000 0.858 90 N CB -0.092 38.409 38.487 0.024 0.000 0.970 90 N HN 0.375 nan 8.380 nan 0.000 0.471 91 N N 0.430 119.151 118.700 0.035 0.000 2.531 91 N HA 0.276 5.031 4.740 0.024 0.000 0.268 91 N C 0.053 175.575 175.510 0.020 0.000 1.023 91 N CA -0.191 52.881 53.050 0.036 0.000 0.896 91 N CB 1.571 40.068 38.487 0.017 0.000 1.233 91 N HN -0.061 nan 8.380 nan 0.000 0.512 92 A N 2.976 125.819 122.820 0.038 0.000 2.067 92 A HA 0.116 4.450 4.320 0.024 0.000 0.217 92 A C 1.916 179.394 177.584 -0.176 0.000 1.156 92 A CA 1.373 53.444 52.037 0.057 0.000 0.683 92 A CB -0.185 18.941 19.000 0.210 0.000 0.808 92 A HN 0.679 nan 8.150 nan 0.000 0.455 93 A N -0.200 122.326 122.820 -0.491 0.000 1.930 93 A HA -0.068 4.266 4.320 0.024 0.000 0.217 93 A C 2.181 179.590 177.584 -0.291 0.000 1.175 93 A CA 1.610 52.995 52.037 -1.086 0.000 0.627 93 A CB -0.492 18.039 19.000 -0.782 0.000 0.815 93 A HN 0.517 nan 8.150 nan 0.000 0.443 94 M N -0.983 118.524 119.600 -0.154 0.000 2.132 94 M HA -0.212 4.282 4.480 0.024 0.000 0.263 94 M C 2.433 178.734 176.300 0.002 0.000 1.065 94 M CA 1.632 56.851 55.300 -0.135 0.000 1.122 94 M CB -0.448 32.036 32.600 -0.193 0.000 1.365 94 M HN 0.480 nan 8.290 nan 0.000 0.411 95 Q N -0.114 119.738 119.800 0.086 0.000 2.050 95 Q HA -0.259 4.095 4.340 0.024 0.000 0.202 95 Q C 2.114 178.207 176.000 0.155 0.000 0.980 95 Q CA 1.576 57.497 55.803 0.196 0.000 0.840 95 Q CB -0.215 28.649 28.738 0.211 0.000 0.898 95 Q HN 0.388 nan 8.270 nan 0.000 0.424 96 Q N 0.590 120.451 119.800 0.103 0.000 2.167 96 Q HA -0.128 4.226 4.340 0.024 0.000 0.202 96 Q C 1.860 177.925 176.000 0.108 0.000 0.970 96 Q CA 1.330 57.242 55.803 0.182 0.000 0.855 96 Q CB -0.133 28.850 28.738 0.409 0.000 0.911 96 Q HN 0.363 nan 8.270 nan 0.000 0.438 97 M N -1.105 118.413 119.600 -0.136 0.000 2.065 97 M HA -0.219 4.276 4.480 0.024 0.000 0.259 97 M C 1.906 178.215 176.300 0.015 0.000 1.069 97 M CA 2.031 57.025 55.300 -0.510 0.000 1.110 97 M CB -0.541 31.426 32.600 -1.055 0.000 1.328 97 M HN 0.590 nan 8.290 nan 0.000 0.405 98 W N 1.394 122.642 121.300 -0.086 0.000 2.355 98 W HA -0.252 4.422 4.660 0.024 0.000 0.309 98 W C 1.460 178.023 176.519 0.072 0.000 1.206 98 W CA 1.488 58.829 57.345 -0.006 0.000 1.284 98 W CB -0.414 29.047 29.460 0.001 0.000 1.145 98 W HN 0.295 nan 8.180 nan 0.000 0.502 99 D N 0.847 121.127 120.400 -0.200 0.000 2.133 99 D HA -0.214 4.441 4.640 0.024 0.000 0.195 99 D C 1.480 177.672 176.300 -0.181 0.000 0.997 99 D CA 1.905 55.737 54.000 -0.281 0.000 0.840 99 D CB -0.767 39.996 40.800 -0.061 0.000 0.947 99 D HN 0.155 nan 8.370 nan 0.000 0.452 100 D N -0.075 120.352 120.400 0.045 0.000 2.178 100 D HA -0.071 4.583 4.640 0.024 0.000 0.201 100 D C 2.206 178.620 176.300 0.190 0.000 0.980 100 D CA 0.377 54.494 54.000 0.196 0.000 0.842 100 D CB -0.136 40.983 40.800 0.531 0.000 0.948 100 D HN 0.310 nan 8.370 nan 0.000 0.472 101 I N -0.035 120.595 120.570 0.099 0.000 2.277 101 I HA -0.125 4.059 4.170 0.024 0.000 0.243 101 I C 2.492 178.506 176.117 -0.171 0.000 1.094 101 I CA 0.497 61.837 61.300 0.066 0.000 1.393 101 I CB -0.125 37.905 38.000 0.050 0.000 1.078 101 I HN -0.131 nan 8.210 nan 0.000 0.417 102 R N 1.861 121.956 120.500 -0.674 0.000 2.127 102 R HA -0.170 4.185 4.340 0.024 0.000 0.238 102 R C 2.181 178.301 176.300 -0.301 0.000 1.134 102 R CA 1.458 57.129 56.100 -0.715 0.000 0.975 102 R CB -0.113 29.476 30.300 -1.185 0.000 0.865 102 R HN 0.390 nan 8.270 nan 0.000 0.447 103 R N -0.607 119.740 120.500 -0.255 0.000 2.359 103 R HA 0.131 4.486 4.340 0.024 0.000 0.231 103 R C -0.624 175.587 176.300 -0.148 0.000 0.913 103 R CA 0.138 56.122 56.100 -0.194 0.000 1.075 103 R CB 0.440 30.611 30.300 -0.213 0.000 1.087 103 R HN -0.088 nan 8.270 nan 0.000 0.515 104 T N 1.783 116.280 114.554 -0.095 0.000 2.824 104 T HA 0.474 4.839 4.350 0.024 0.000 0.280 104 T C -0.359 174.321 174.700 -0.033 0.000 0.995 104 T CA -0.524 61.514 62.100 -0.103 0.000 1.009 104 T CB 1.892 70.686 68.868 -0.125 0.000 0.955 104 T HN 0.196 nan 8.240 nan 0.000 0.452 105 V N 0.644 120.525 119.914 -0.056 0.000 3.130 105 V HA 0.745 4.880 4.120 0.024 0.000 0.310 105 V C -1.077 174.993 176.094 -0.040 0.000 1.158 105 V CA -1.289 60.991 62.300 -0.033 0.000 1.029 105 V CB 1.871 33.664 31.823 -0.050 0.000 1.057 105 V HN 0.821 nan 8.190 nan 0.000 0.436 106 I N 1.498 122.055 120.570 -0.021 0.000 2.406 106 I HA 0.683 4.868 4.170 0.024 0.000 0.290 106 I C -1.014 175.157 176.117 0.090 0.000 0.999 106 I CA -0.853 60.472 61.300 0.042 0.000 1.124 106 I CB 1.998 40.011 38.000 0.020 0.000 1.289 106 I HN 0.453 nan 8.210 nan 0.000 0.441 107 V N 5.042 125.027 119.914 0.119 0.000 2.525 107 V HA 0.492 4.626 4.120 0.024 0.000 0.299 107 V C 0.559 176.633 176.094 -0.034 0.000 1.034 107 V CA -0.720 61.614 62.300 0.058 0.000 0.863 107 V CB 1.629 33.446 31.823 -0.010 0.000 0.999 107 V HN 0.879 nan 8.190 nan 0.000 0.423 108 G N 2.897 111.562 108.800 -0.225 0.000 2.544 108 G HA2 0.423 4.397 3.960 0.024 0.000 0.242 108 G HA3 0.423 4.397 3.960 0.024 0.000 0.242 108 G C 0.333 174.811 174.900 -0.702 0.000 1.247 108 G CA -0.310 44.183 45.100 -1.013 0.000 0.840 108 G HN 0.736 nan 8.290 nan 0.000 0.578 109 L N 1.435 122.146 121.223 -0.853 0.000 2.769 109 L HA 0.130 4.484 4.340 0.024 0.000 0.240 109 L C 1.689 178.030 176.870 -0.883 0.000 1.163 109 L CA -0.269 54.071 54.840 -0.833 0.000 0.962 109 L CB 0.009 41.492 42.059 -0.961 0.000 1.258 109 L HN 0.496 nan 8.230 nan 0.000 0.513 110 N N -0.513 117.730 118.700 -0.762 0.000 2.173 110 N HA -0.120 4.634 4.740 0.024 0.000 0.184 110 N C 1.598 176.917 175.510 -0.320 0.000 1.025 110 N CA 1.160 53.890 53.050 -0.532 0.000 0.852 110 N CB -0.142 37.999 38.487 -0.576 0.000 0.998 110 N HN 0.352 nan 8.380 nan 0.000 0.427 111 H N 1.516 120.422 119.070 -0.274 0.000 2.353 111 H HA 0.089 4.659 4.556 0.024 0.000 0.300 111 H C 2.124 177.341 175.328 -0.185 0.000 1.090 111 H CA 1.160 57.094 56.048 -0.189 0.000 1.327 111 H CB -0.581 29.087 29.762 -0.157 0.000 1.383 111 H HN 0.221 nan 8.280 nan 0.000 0.508 112 A N 1.051 123.821 122.820 -0.082 0.000 1.873 112 A HA -0.246 4.088 4.320 0.024 0.000 0.218 112 A C 2.109 179.721 177.584 0.047 0.000 1.193 112 A CA 1.943 53.990 52.037 0.018 0.000 0.629 112 A CB -1.193 17.772 19.000 -0.058 0.000 0.826 112 A HN 0.617 nan 8.150 nan 0.000 0.447 113 H N -0.880 118.112 119.070 -0.130 0.000 2.387 113 H HA -0.055 4.515 4.556 0.024 0.000 0.299 113 H C 2.451 177.707 175.328 -0.119 0.000 1.099 113 H CA 0.711 56.665 56.048 -0.157 0.000 1.315 113 H CB -0.016 29.647 29.762 -0.165 0.000 1.380 113 H HN 0.584 nan 8.280 nan 0.000 0.513 114 A N 0.666 123.498 122.820 0.020 0.000 1.930 114 A HA -0.108 4.226 4.320 0.024 0.000 0.217 114 A C 2.593 180.136 177.584 -0.069 0.000 1.175 114 A CA 1.209 53.233 52.037 -0.022 0.000 0.627 114 A CB -0.629 18.364 19.000 -0.011 0.000 0.815 114 A HN 0.202 nan 8.150 nan 0.000 0.443 115 V N 0.337 120.175 119.914 -0.126 0.000 2.332 115 V HA -0.296 3.838 4.120 0.024 0.000 0.248 115 V C 2.387 178.416 176.094 -0.109 0.000 1.055 115 V CA 2.074 64.238 62.300 -0.226 0.000 1.038 115 V CB -0.778 30.686 31.823 -0.598 0.000 0.651 115 V HN 0.581 nan 8.190 nan 0.000 0.450 116 I N -0.155 120.398 120.570 -0.028 0.000 2.208 116 I HA -0.254 3.930 4.170 0.024 0.000 0.245 116 I C 2.531 178.618 176.117 -0.050 0.000 1.097 116 I CA 1.806 63.081 61.300 -0.041 0.000 1.363 116 I CB -0.293 37.571 38.000 -0.227 0.000 1.051 116 I HN 0.406 nan 8.210 nan 0.000 0.413 117 E N 0.360 120.528 120.200 -0.052 0.000 2.102 117 E HA -0.094 4.270 4.350 0.024 0.000 0.190 117 E C 2.085 178.664 176.600 -0.034 0.000 0.971 117 E CA 0.685 57.061 56.400 -0.040 0.000 0.821 117 E CB 0.151 29.827 29.700 -0.040 0.000 0.777 117 E HN 0.437 nan 8.360 nan 0.000 0.460 118 K N 0.303 120.677 120.400 -0.044 0.000 2.202 118 K HA 0.085 4.420 4.320 0.024 0.000 0.201 118 K C 2.192 178.762 176.600 -0.049 0.000 1.051 118 K CA 0.318 56.578 56.287 -0.044 0.000 0.977 118 K CB 0.232 32.703 32.500 -0.049 0.000 0.792 118 K HN -0.110 nan 8.250 nan 0.000 0.469 119 R N 0.782 121.243 120.500 -0.064 0.000 2.128 119 R HA 0.142 4.497 4.340 0.024 0.000 0.211 119 R C 1.839 178.118 176.300 -0.034 0.000 1.067 119 R CA 0.438 56.500 56.100 -0.063 0.000 1.010 119 R CB 0.274 30.511 30.300 -0.106 0.000 0.922 119 R HN 0.064 nan 8.270 nan 0.000 0.457 120 L N -0.858 120.353 121.223 -0.019 0.000 2.416 120 L HA 0.308 4.663 4.340 0.024 0.000 0.216 120 L C 1.087 177.963 176.870 0.010 0.000 1.098 120 L CA 0.536 55.383 54.840 0.013 0.000 0.840 120 L CB 0.404 42.495 42.059 0.053 0.000 0.981 120 L HN 0.495 nan 8.230 nan 0.000 0.462 121 G N 0.998 109.796 108.800 -0.003 0.000 2.147 121 G HA2 -0.255 3.719 3.960 0.024 0.000 0.244 121 G HA3 -0.255 3.719 3.960 0.024 0.000 0.244 121 G C 0.167 175.072 174.900 0.008 0.000 1.005 121 G CA 0.139 45.238 45.100 -0.001 0.000 0.713 121 G HN 0.336 nan 8.290 nan 0.000 0.515 122 K N -0.182 120.225 120.400 0.012 0.000 2.139 122 K HA 0.565 4.899 4.320 0.024 0.000 0.243 122 K C 0.118 176.728 176.600 0.017 0.000 0.983 122 K CA -0.758 55.549 56.287 0.034 0.000 0.890 122 K CB 1.743 34.291 32.500 0.080 0.000 1.090 122 K HN 0.316 nan 8.250 nan 0.000 0.445 123 E N 1.056 121.281 120.200 0.042 0.000 2.248 123 E HA 0.294 4.658 4.350 0.024 0.000 0.272 123 E C -1.315 175.310 176.600 0.041 0.000 1.008 123 E CA -0.735 55.675 56.400 0.018 0.000 0.856 123 E CB 1.468 31.177 29.700 0.016 0.000 1.120 123 E HN 0.160 nan 8.360 nan 0.000 0.397 124 V N 3.176 123.066 119.914 -0.041 0.000 2.495 124 V HA 0.457 4.591 4.120 0.024 0.000 0.298 124 V C 0.043 176.079 176.094 -0.097 0.000 1.031 124 V CA -0.366 61.872 62.300 -0.103 0.000 0.871 124 V CB 1.399 32.969 31.823 -0.422 0.000 0.988 124 V HN 0.932 nan 8.190 nan 0.000 0.432 125 T N 2.128 116.650 114.554 -0.052 0.000 2.812 125 T HA 0.513 4.878 4.350 0.024 0.000 0.294 125 T C -2.571 172.121 174.700 -0.013 0.000 1.159 125 T CA -1.864 60.215 62.100 -0.035 0.000 1.008 125 T CB 2.259 71.121 68.868 -0.010 0.000 1.289 125 T HN 0.259 nan 8.240 nan 0.000 0.514 126 P HA 0.003 nan 4.420 nan 0.000 0.218 126 P C 0.954 178.284 177.300 0.051 0.000 1.149 126 P CA 1.097 64.219 63.100 0.037 0.000 0.817 126 P CB 0.043 31.767 31.700 0.040 0.000 0.785 127 E N -1.124 119.095 120.200 0.032 0.000 2.152 127 E HA -0.118 4.246 4.350 0.024 0.000 0.192 127 E C 1.996 178.615 176.600 0.031 0.000 0.983 127 E CA 1.723 58.143 56.400 0.033 0.000 0.818 127 E CB -1.219 28.486 29.700 0.008 0.000 0.758 127 E HN 0.370 nan 8.360 nan 0.000 0.467 128 T N -0.809 113.755 114.554 0.016 0.000 2.867 128 T HA -0.070 4.294 4.350 0.024 0.000 0.268 128 T C 1.990 176.726 174.700 0.061 0.000 1.057 128 T CA 0.713 62.803 62.100 -0.016 0.000 1.136 128 T CB -0.352 68.520 68.868 0.007 0.000 0.874 128 T HN 0.056 nan 8.240 nan 0.000 0.466 129 I N 1.593 122.226 120.570 0.105 0.000 2.179 129 I HA -0.154 4.030 4.170 0.024 0.000 0.242 129 I C 2.966 179.168 176.117 0.140 0.000 1.088 129 I CA 1.493 62.893 61.300 0.166 0.000 1.357 129 I CB -0.807 37.276 38.000 0.138 0.000 1.051 129 I HN 0.267 nan 8.210 nan 0.000 0.409 130 T N -1.024 113.592 114.554 0.103 0.000 2.746 130 T HA -0.271 4.093 4.350 0.024 0.000 0.267 130 T C 1.895 176.604 174.700 0.014 0.000 1.039 130 T CA 1.869 64.019 62.100 0.083 0.000 1.142 130 T CB -0.411 68.555 68.868 0.162 0.000 0.866 130 T HN 0.423 nan 8.240 nan 0.000 0.444 131 H N 0.018 119.058 119.070 -0.051 0.000 2.353 131 H HA -0.102 4.468 4.556 0.024 0.000 0.300 131 H C 1.998 177.241 175.328 -0.141 0.000 1.090 131 H CA 1.719 57.709 56.048 -0.097 0.000 1.327 131 H CB -0.616 29.070 29.762 -0.127 0.000 1.383 131 H HN 0.472 nan 8.280 nan 0.000 0.508 132 Y N 0.610 120.740 120.300 -0.282 0.000 2.151 132 Y HA -0.225 4.339 4.550 0.024 0.000 0.284 132 Y C 2.114 177.823 175.900 -0.318 0.000 1.166 132 Y CA 1.973 59.900 58.100 -0.289 0.000 1.163 132 Y CB -0.519 37.893 38.460 -0.079 0.000 0.974 132 Y HN 0.260 nan 8.280 nan 0.000 0.511 133 L N -0.068 120.828 121.223 -0.545 0.000 2.141 133 L HA -0.153 4.201 4.340 0.024 0.000 0.209 133 L C 2.502 178.770 176.870 -1.003 0.000 1.094 133 L CA 1.199 55.496 54.840 -0.905 0.000 0.763 133 L CB -0.535 40.868 42.059 -1.092 0.000 0.908 133 L HN 0.239 nan 8.230 nan 0.000 0.437 134 E N -0.133 119.656 120.200 -0.684 0.000 2.077 134 E HA -0.179 4.186 4.350 0.024 0.000 0.193 134 E C 2.141 178.579 176.600 -0.269 0.000 0.989 134 E CA 1.884 58.117 56.400 -0.278 0.000 0.800 134 E CB -0.294 29.358 29.700 -0.079 0.000 0.746 134 E HN 0.476 nan 8.360 nan 0.000 0.452 135 T N 1.401 115.704 114.554 -0.418 0.000 2.652 135 T HA -0.142 4.223 4.350 0.024 0.000 0.267 135 T C 2.050 176.577 174.700 -0.288 0.000 1.039 135 T CA 1.334 63.222 62.100 -0.354 0.000 1.153 135 T CB -0.464 68.137 68.868 -0.445 0.000 0.863 135 T HN 0.009 nan 8.240 nan 0.000 0.428 136 V N 2.240 121.851 119.914 -0.505 0.000 2.626 136 V HA -0.099 4.035 4.120 0.024 0.000 0.252 136 V C 2.081 178.062 176.094 -0.188 0.000 1.067 136 V CA 1.453 63.517 62.300 -0.394 0.000 1.081 136 V CB -0.551 30.884 31.823 -0.646 0.000 0.686 136 V HN 0.468 nan 8.190 nan 0.000 0.468 137 N N -0.716 117.887 118.700 -0.161 0.000 2.459 137 N HA -0.145 4.609 4.740 0.024 0.000 0.181 137 N C 1.619 177.170 175.510 0.069 0.000 1.046 137 N CA 1.303 54.362 53.050 0.016 0.000 0.904 137 N CB -0.101 38.469 38.487 0.137 0.000 0.964 137 N HN 0.759 nan 8.380 nan 0.000 0.444 138 H N 0.606 119.648 119.070 -0.046 0.000 2.343 138 H HA 0.176 4.746 4.556 0.024 0.000 0.303 138 H C 1.889 177.205 175.328 -0.020 0.000 1.068 138 H CA 1.689 57.722 56.048 -0.024 0.000 1.359 138 H CB 0.055 29.788 29.762 -0.050 0.000 1.402 138 H HN 0.115 nan 8.280 nan 0.000 0.515 139 A N 0.374 123.147 122.820 -0.078 0.000 1.898 139 A HA -0.030 4.304 4.320 0.024 0.000 0.214 139 A C 2.343 179.882 177.584 -0.075 0.000 1.183 139 A CA 1.324 53.291 52.037 -0.116 0.000 0.622 139 A CB -0.623 18.341 19.000 -0.061 0.000 0.824 139 A HN 0.511 nan 8.150 nan 0.000 0.444 140 M N 0.441 120.038 119.600 -0.006 0.000 2.106 140 M HA -0.058 4.437 4.480 0.024 0.000 0.259 140 M C -1.254 175.225 176.300 0.298 0.000 1.068 140 M CA 1.683 57.059 55.300 0.127 0.000 1.100 140 M CB -1.137 31.524 32.600 0.101 0.000 1.351 140 M HN 0.136 nan 8.290 nan 0.000 0.404 141 P HA 0.163 nan 4.420 nan 0.000 0.230 141 P C 0.087 177.562 177.300 0.292 0.000 1.158 141 P CA 1.522 64.743 63.100 0.202 0.000 0.769 141 P CB 0.033 31.788 31.700 0.092 0.000 0.807 142 G N -1.894 107.008 108.800 0.169 0.000 2.462 142 G HA2 0.162 4.137 3.960 0.024 0.000 0.124 142 G HA3 0.162 4.137 3.960 0.024 0.000 0.124 142 G C -0.131 174.735 174.900 -0.056 0.000 1.062 142 G CA -0.356 44.789 45.100 0.076 0.000 0.764 142 G HN 0.507 nan 8.290 nan 0.000 0.485 143 A N -0.667 122.047 122.820 -0.177 0.000 2.423 143 A HA 1.087 5.421 4.320 0.024 0.000 0.304 143 A C 0.361 177.855 177.584 -0.150 0.000 1.104 143 A CA 0.211 52.095 52.037 -0.254 0.000 0.757 143 A CB 1.590 20.209 19.000 -0.636 0.000 1.313 143 A HN 2.083 nan 8.150 nan 0.000 0.423 144 A N -0.176 122.655 122.820 0.018 0.000 2.293 144 A HA 0.604 4.938 4.320 0.024 0.000 0.302 144 A C 0.712 178.386 177.584 0.150 0.000 1.119 144 A CA 0.222 52.296 52.037 0.063 0.000 0.823 144 A CB 0.632 19.651 19.000 0.031 0.000 1.097 144 A HN 1.984 nan 8.150 nan 0.000 0.491 145 V N -0.544 119.408 119.914 0.063 0.000 3.485 145 V HA 0.213 4.347 4.120 0.024 0.000 0.280 145 V C 0.716 176.810 176.094 -0.001 0.000 1.495 145 V CA 0.818 63.135 62.300 0.027 0.000 1.018 145 V CB -0.361 31.470 31.823 0.013 0.000 0.818 145 V HN 0.493 nan 8.190 nan 0.000 0.436 146 V N -0.595 119.321 119.914 0.002 0.000 3.029 146 V HA 0.255 4.390 4.120 0.024 0.000 0.230 146 V C 0.909 177.006 176.094 0.005 0.000 1.254 146 V CA 0.437 62.737 62.300 -0.000 0.000 1.276 146 V CB 0.404 32.226 31.823 -0.001 0.000 1.080 146 V HN 0.435 nan 8.190 nan 0.000 0.495 147 Q N 1.028 120.833 119.800 0.008 0.000 2.299 147 Q HA 0.298 4.653 4.340 0.024 0.000 0.246 147 Q C -0.324 175.691 176.000 0.025 0.000 0.935 147 Q CA -0.158 55.654 55.803 0.016 0.000 0.887 147 Q CB 1.477 30.226 28.738 0.017 0.000 1.223 147 Q HN 0.354 nan 8.270 nan 0.000 0.439 148 E N 1.479 121.700 120.200 0.036 0.000 2.373 148 E HA -0.068 4.296 4.350 0.024 0.000 0.263 148 E C -0.539 176.128 176.600 0.112 0.000 1.073 148 E CA 0.189 56.622 56.400 0.055 0.000 0.894 148 E CB 0.348 30.084 29.700 0.060 0.000 1.008 148 E HN 0.628 nan 8.360 nan 0.000 0.420 149 H N 2.874 121.945 119.070 0.001 0.000 2.826 149 H HA -0.141 4.430 4.556 0.024 0.000 0.306 149 H C -0.868 174.460 175.328 0.000 0.000 1.235 149 H CA 0.672 56.721 56.048 0.001 0.000 1.150 149 H CB -0.706 29.057 29.762 0.000 0.000 1.409 149 H HN 0.382 nan 8.280 nan 0.000 0.420 150 M N 1.031 120.632 119.600 0.001 0.000 2.249 150 M HA 0.274 4.769 4.480 0.024 0.000 0.351 150 M C 1.086 177.358 176.300 -0.045 0.000 1.180 150 M CA -0.388 54.911 55.300 -0.001 0.000 1.127 150 M CB 1.304 33.903 32.600 -0.002 0.000 1.546 150 M HN 0.146 nan 8.290 nan 0.000 0.461 151 V N 0.844 120.748 119.914 -0.017 0.000 2.834 151 V HA 0.728 4.862 4.120 0.024 0.000 0.313 151 V C -0.311 175.775 176.094 -0.013 0.000 1.060 151 V CA -0.586 61.700 62.300 -0.024 0.000 0.989 151 V CB 1.774 33.599 31.823 0.003 0.000 1.041 151 V HN 0.914 nan 8.190 nan 0.000 0.459 152 E N 0.327 120.521 120.200 -0.009 0.000 2.429 152 E HA 0.505 4.869 4.350 0.024 0.000 0.276 152 E C -0.898 175.717 176.600 0.025 0.000 0.953 152 E CA -0.756 55.641 56.400 -0.005 0.000 0.787 152 E CB 2.210 31.895 29.700 -0.025 0.000 1.307 152 E HN 1.009 nan 8.360 nan 0.000 0.458 153 T N -1.290 113.294 114.554 0.050 0.000 2.899 153 T HA 0.062 4.426 4.350 0.024 0.000 0.295 153 T C 0.192 174.955 174.700 0.105 0.000 1.033 153 T CA -0.610 61.551 62.100 0.102 0.000 1.084 153 T CB 0.652 69.609 68.868 0.148 0.000 0.979 153 T HN 0.395 nan 8.240 nan 0.000 0.532 154 H N 3.292 122.383 119.070 0.035 0.000 2.955 154 H HA 0.181 4.752 4.556 0.024 0.000 0.290 154 H C -1.902 173.442 175.328 0.027 0.000 1.047 154 H CA -2.024 54.040 56.048 0.026 0.000 1.484 154 H CB 1.054 30.831 29.762 0.026 0.000 1.501 154 H HN 0.417 nan 8.280 nan 0.000 0.521 155 P HA -0.135 nan 4.420 nan 0.000 0.217 155 P C 1.028 178.458 177.300 0.217 0.000 1.148 155 P CA 1.982 65.188 63.100 0.176 0.000 0.828 155 P CB 0.217 31.978 31.700 0.101 0.000 0.783 156 A N -0.991 122.045 122.820 0.360 0.000 1.968 156 A HA -0.094 4.240 4.320 0.024 0.000 0.217 156 A C 2.070 179.654 177.584 0.000 0.000 1.169 156 A CA 1.023 53.125 52.037 0.109 0.000 0.638 156 A CB -1.431 17.590 19.000 0.035 0.000 0.812 156 A HN 0.127 nan 8.150 nan 0.000 0.446 157 L N -0.186 121.016 121.223 -0.036 0.000 2.275 157 L HA -0.085 4.269 4.340 0.024 0.000 0.215 157 L C 1.590 178.467 176.870 0.010 0.000 1.119 157 L CA 1.195 56.011 54.840 -0.040 0.000 0.790 157 L CB -0.147 41.889 42.059 -0.037 0.000 0.919 157 L HN 0.432 nan 8.230 nan 0.000 0.443 158 V N -5.010 114.932 119.914 0.048 0.000 3.006 158 V HA 0.418 4.553 4.120 0.024 0.000 0.357 158 V C 1.666 177.797 176.094 0.061 0.000 1.377 158 V CA 0.283 62.609 62.300 0.043 0.000 1.198 158 V CB -0.042 31.820 31.823 0.065 0.000 1.216 158 V HN 0.132 nan 8.190 nan 0.000 0.520 159 A N 1.753 124.610 122.820 0.063 0.000 2.125 159 A HA -0.137 4.197 4.320 0.024 0.000 0.219 159 A C 1.848 179.496 177.584 0.107 0.000 1.156 159 A CA 1.695 53.778 52.037 0.078 0.000 0.671 159 A CB -0.393 18.641 19.000 0.056 0.000 0.794 159 A HN 0.800 nan 8.150 nan 0.000 0.459 160 D N -0.865 119.594 120.400 0.098 0.000 2.349 160 D HA 0.040 4.694 4.640 0.024 0.000 0.215 160 D C 0.682 177.073 176.300 0.153 0.000 1.016 160 D CA 0.556 54.643 54.000 0.145 0.000 0.870 160 D CB -0.335 40.521 40.800 0.094 0.000 0.917 160 D HN 0.210 nan 8.370 nan 0.000 0.524 161 S N -0.219 115.535 115.700 0.091 0.000 2.537 161 S HA 0.513 4.997 4.470 0.024 0.000 0.275 161 S C -0.903 173.773 174.600 0.127 0.000 1.272 161 S CA -0.651 57.545 58.200 -0.006 0.000 1.050 161 S CB 0.151 63.342 63.200 -0.014 0.000 0.961 161 S HN 0.373 nan 8.310 nan 0.000 0.496 162 Y N 0.608 120.925 120.300 0.028 0.000 2.852 162 Y HA 0.688 5.252 4.550 0.024 0.000 0.350 162 Y C -1.944 173.981 175.900 0.040 0.000 1.272 162 Y CA -1.324 56.805 58.100 0.048 0.000 1.086 162 Y CB 0.566 39.065 38.460 0.066 0.000 1.408 162 Y HN 0.302 nan 8.280 nan 0.000 0.447 163 V N 1.690 121.773 119.914 0.281 0.000 2.668 163 V HA 0.532 4.667 4.120 0.024 0.000 0.304 163 V C -0.703 175.570 176.094 0.298 0.000 1.071 163 V CA -1.059 61.336 62.300 0.158 0.000 0.894 163 V CB 1.744 33.589 31.823 0.037 0.000 1.008 163 V HN 0.761 nan 8.190 nan 0.000 0.425 164 K N 2.236 122.809 120.400 0.288 0.000 2.352 164 K HA 0.907 5.241 4.320 0.024 0.000 0.240 164 K C -0.994 175.734 176.600 0.214 0.000 1.017 164 K CA -0.820 55.651 56.287 0.306 0.000 0.851 164 K CB 2.679 35.378 32.500 0.332 0.000 1.261 164 K HN 0.589 nan 8.250 nan 0.000 0.451 165 V N -1.414 118.630 119.914 0.216 0.000 3.074 165 V HA 0.808 4.942 4.120 0.024 0.000 0.314 165 V C -1.005 175.224 176.094 0.224 0.000 1.117 165 V CA -0.902 61.472 62.300 0.123 0.000 1.014 165 V CB 1.226 33.092 31.823 0.071 0.000 1.057 165 V HN 0.789 nan 8.190 nan 0.000 0.438 166 F N -0.977 119.066 119.950 0.155 0.000 2.662 166 F HA 0.948 5.490 4.527 0.024 0.000 0.312 166 F C -0.574 175.323 175.800 0.161 0.000 1.113 166 F CA -0.441 57.642 58.000 0.138 0.000 0.951 166 F CB 1.650 40.714 39.000 0.108 0.000 1.344 166 F HN 0.905 nan 8.300 nan 0.000 0.462 167 T N -0.256 114.515 114.554 0.362 0.000 2.957 167 T HA 0.455 4.819 4.350 0.024 0.000 0.336 167 T C 0.481 175.316 174.700 0.224 0.000 1.462 167 T CA -0.054 62.197 62.100 0.251 0.000 1.073 167 T CB 1.303 70.243 68.868 0.120 0.000 1.319 167 T HN 1.264 nan 8.240 nan 0.000 0.485 168 G N 2.411 111.320 108.800 0.182 0.000 2.534 168 G HA2 0.002 3.977 3.960 0.024 0.000 0.217 168 G HA3 0.002 3.977 3.960 0.024 0.000 0.217 168 G C 0.700 175.650 174.900 0.083 0.000 1.128 168 G CA -0.044 45.122 45.100 0.110 0.000 0.784 168 G HN 0.696 nan 8.290 nan 0.000 0.542 169 N N 1.146 119.897 118.700 0.085 0.000 2.439 169 N HA 0.044 4.798 4.740 0.024 0.000 0.243 169 N C 0.220 175.770 175.510 0.067 0.000 1.088 169 N CA -0.289 52.800 53.050 0.064 0.000 0.940 169 N CB 0.729 39.249 38.487 0.055 0.000 1.180 169 N HN -0.027 nan 8.380 nan 0.000 0.505 170 D N 2.957 123.392 120.400 0.059 0.000 2.133 170 D HA -0.186 4.468 4.640 0.024 0.000 0.195 170 D C 0.950 177.282 176.300 0.054 0.000 0.997 170 D CA 1.651 55.685 54.000 0.058 0.000 0.840 170 D CB 0.380 41.208 40.800 0.048 0.000 0.947 170 D HN 0.619 nan 8.370 nan 0.000 0.452 171 E N 0.040 120.267 120.200 0.045 0.000 2.152 171 E HA -0.027 4.338 4.350 0.024 0.000 0.192 171 E C 2.218 178.845 176.600 0.045 0.000 0.983 171 E CA 0.148 56.572 56.400 0.040 0.000 0.818 171 E CB 0.001 29.720 29.700 0.032 0.000 0.758 171 E HN 0.279 nan 8.360 nan 0.000 0.467 172 I N 0.533 121.133 120.570 0.049 0.000 2.252 172 I HA -0.182 4.002 4.170 0.024 0.000 0.245 172 I C 2.214 178.374 176.117 0.071 0.000 1.102 172 I CA 1.163 62.496 61.300 0.054 0.000 1.385 172 I CB -1.174 36.856 38.000 0.051 0.000 1.064 172 I HN 0.068 nan 8.210 nan 0.000 0.414 173 A N 1.057 123.926 122.820 0.082 0.000 1.877 173 A HA -0.223 4.111 4.320 0.024 0.000 0.216 173 A C 1.925 179.562 177.584 0.088 0.000 1.186 173 A CA 2.013 54.110 52.037 0.099 0.000 0.620 173 A CB -0.679 18.388 19.000 0.112 0.000 0.822 173 A HN 0.353 nan 8.150 nan 0.000 0.443 174 D N -0.782 119.660 120.400 0.071 0.000 2.263 174 D HA -0.128 4.526 4.640 0.024 0.000 0.208 174 D C 1.724 178.057 176.300 0.055 0.000 0.971 174 D CA 1.354 55.389 54.000 0.058 0.000 0.867 174 D CB -0.256 40.572 40.800 0.047 0.000 0.929 174 D HN 0.756 nan 8.370 nan 0.000 0.492 175 E N -0.294 119.942 120.200 0.059 0.000 2.371 175 E HA 0.006 4.371 4.350 0.024 0.000 0.194 175 E C 0.448 177.094 176.600 0.077 0.000 1.012 175 E CA -0.048 56.387 56.400 0.058 0.000 0.860 175 E CB 0.271 30.000 29.700 0.050 0.000 0.811 175 E HN 0.200 nan 8.360 nan 0.000 0.502 176 I N 1.937 122.567 120.570 0.100 0.000 2.575 176 I HA -0.057 4.127 4.170 0.024 0.000 0.285 176 I C 0.414 176.614 176.117 0.137 0.000 1.085 176 I CA -0.508 60.880 61.300 0.146 0.000 1.403 176 I CB 0.554 38.664 38.000 0.182 0.000 1.409 176 I HN -0.013 nan 8.210 nan 0.000 0.557 177 D N 9.095 129.599 120.400 0.173 0.000 2.819 177 D HA -0.081 4.574 4.640 0.024 0.000 0.236 177 D C -1.339 174.946 176.300 -0.025 0.000 1.181 177 D CA -1.083 52.951 54.000 0.057 0.000 0.855 177 D CB 0.851 41.672 40.800 0.035 0.000 1.146 177 D HN 0.273 nan 8.370 nan 0.000 0.540 178 P HA -0.155 nan 4.420 nan 0.000 0.229 178 P C 0.868 178.090 177.300 -0.130 0.000 1.150 178 P CA 0.813 63.887 63.100 -0.043 0.000 0.765 178 P CB 0.103 31.780 31.700 -0.038 0.000 0.783 179 A N -0.799 121.833 122.820 -0.314 0.000 2.015 179 A HA -0.081 4.253 4.320 0.024 0.000 0.219 179 A C 1.474 178.797 177.584 -0.435 0.000 1.163 179 A CA 1.032 52.783 52.037 -0.477 0.000 0.646 179 A CB -1.250 17.302 19.000 -0.747 0.000 0.806 179 A HN 0.122 nan 8.150 nan 0.000 0.448 180 F N -1.075 118.889 119.950 0.024 0.000 2.695 180 F HA 0.306 4.847 4.527 0.024 0.000 0.303 180 F C 0.270 176.119 175.800 0.083 0.000 1.091 180 F CA -0.570 57.461 58.000 0.051 0.000 1.300 180 F CB 0.137 39.172 39.000 0.059 0.000 1.071 180 F HN -0.155 nan 8.300 nan 0.000 0.578 181 V N 2.265 122.293 119.914 0.190 0.000 2.417 181 V HA 0.310 4.445 4.120 0.024 0.000 0.291 181 V C 0.165 176.358 176.094 0.164 0.000 1.024 181 V CA -0.970 61.445 62.300 0.192 0.000 0.861 181 V CB 2.162 34.077 31.823 0.154 0.000 0.985 181 V HN -0.027 nan 8.190 nan 0.000 0.436 182 I N 4.238 124.940 120.570 0.219 0.000 2.308 182 I HA 0.204 4.388 4.170 0.024 0.000 0.293 182 I C 0.059 176.290 176.117 0.190 0.000 1.078 182 I CA -0.055 61.359 61.300 0.190 0.000 1.292 182 I CB 0.691 38.820 38.000 0.215 0.000 1.423 182 I HN 0.552 nan 8.210 nan 0.000 0.493 183 D N 7.523 128.007 120.400 0.141 0.000 2.365 183 D HA 0.188 4.843 4.640 0.024 0.000 0.237 183 D C 1.042 177.439 176.300 0.161 0.000 1.190 183 D CA -0.097 53.983 54.000 0.133 0.000 0.867 183 D CB 0.967 41.822 40.800 0.091 0.000 1.050 183 D HN 0.438 nan 8.370 nan 0.000 0.491 184 I N 2.994 123.670 120.570 0.177 0.000 2.286 184 I HA -0.271 3.914 4.170 0.024 0.000 0.248 184 I C 1.909 178.176 176.117 0.250 0.000 1.115 184 I CA 0.497 61.939 61.300 0.236 0.000 1.392 184 I CB -0.120 37.916 38.000 0.060 0.000 1.065 184 I HN 0.378 nan 8.210 nan 0.000 0.418 185 N N 1.020 119.806 118.700 0.143 0.000 2.223 185 N HA -0.211 4.543 4.740 0.024 0.000 0.185 185 N C 1.792 177.362 175.510 0.099 0.000 1.016 185 N CA 1.189 54.305 53.050 0.109 0.000 0.863 185 N CB -0.198 38.332 38.487 0.073 0.000 0.983 185 N HN 0.450 nan 8.380 nan 0.000 0.429 186 K N 0.598 121.052 120.400 0.091 0.000 2.137 186 K HA 0.021 4.355 4.320 0.024 0.000 0.202 186 K C 1.611 178.227 176.600 0.026 0.000 1.052 186 K CA 0.658 56.978 56.287 0.055 0.000 0.961 186 K CB 0.318 32.843 32.500 0.041 0.000 0.741 186 K HN -0.043 nan 8.250 nan 0.000 0.452 187 Q N -0.595 119.220 119.800 0.025 0.000 2.269 187 Q HA 0.075 4.430 4.340 0.024 0.000 0.201 187 Q C -0.185 175.581 176.000 -0.390 0.000 0.946 187 Q CA 0.793 56.489 55.803 -0.178 0.000 0.877 187 Q CB 0.366 28.970 28.738 -0.224 0.000 0.963 187 Q HN 0.121 nan 8.270 nan 0.000 0.472 188 F N 1.203 121.154 119.950 0.001 0.000 2.522 188 F HA 0.401 4.942 4.527 0.024 0.000 0.324 188 F C -1.918 173.851 175.800 -0.053 0.000 1.077 188 F CA -2.711 55.274 58.000 -0.024 0.000 0.944 188 F CB 1.454 40.430 39.000 -0.041 0.000 1.175 188 F HN -0.173 nan 8.300 nan 0.000 0.468 189 P HA 0.013 nan 4.420 nan 0.000 0.272 189 P C 0.385 177.658 177.300 -0.044 0.000 1.230 189 P CA -0.040 63.009 63.100 -0.085 0.000 0.788 189 P CB 0.978 32.404 31.700 -0.456 0.000 0.949 190 E N 1.296 121.476 120.200 -0.033 0.000 2.070 190 E HA -0.288 4.076 4.350 0.024 0.000 0.197 190 E C 1.264 177.849 176.600 -0.025 0.000 1.004 190 E CA 1.967 58.361 56.400 -0.010 0.000 0.805 190 E CB -0.267 29.433 29.700 -0.001 0.000 0.744 190 E HN 0.495 nan 8.360 nan 0.000 0.451 191 D N 0.422 120.789 120.400 -0.055 0.000 2.092 191 D HA -0.273 4.381 4.640 0.024 0.000 0.193 191 D C 1.933 178.204 176.300 -0.048 0.000 0.994 191 D CA 1.537 55.507 54.000 -0.050 0.000 0.828 191 D CB -0.803 39.959 40.800 -0.064 0.000 0.963 191 D HN 0.409 nan 8.370 nan 0.000 0.450 192 Q N 0.432 120.194 119.800 -0.063 0.000 2.124 192 Q HA -0.033 4.322 4.340 0.024 0.000 0.202 192 Q C 2.468 178.412 176.000 -0.094 0.000 0.977 192 Q CA 1.558 57.332 55.803 -0.048 0.000 0.850 192 Q CB -0.244 28.511 28.738 0.028 0.000 0.901 192 Q HN 0.459 nan 8.270 nan 0.000 0.429 193 A N 1.276 124.070 122.820 -0.043 0.000 1.902 193 A HA -0.207 4.127 4.320 0.024 0.000 0.217 193 A C 1.938 179.481 177.584 -0.068 0.000 1.181 193 A CA 1.283 53.279 52.037 -0.068 0.000 0.623 193 A CB -0.293 18.729 19.000 0.036 0.000 0.818 193 A HN 0.192 nan 8.150 nan 0.000 0.443 194 E N -0.380 119.800 120.200 -0.033 0.000 2.110 194 E HA -0.123 4.241 4.350 0.024 0.000 0.193 194 E C 2.141 178.728 176.600 -0.021 0.000 0.988 194 E CA 1.636 58.024 56.400 -0.019 0.000 0.804 194 E CB -0.809 28.887 29.700 -0.007 0.000 0.745 194 E HN 0.587 nan 8.360 nan 0.000 0.458 195 T N 1.716 116.256 114.554 -0.023 0.000 2.674 195 T HA -0.087 4.277 4.350 0.024 0.000 0.265 195 T C 2.135 176.831 174.700 -0.007 0.000 1.039 195 T CA 0.903 63.009 62.100 0.010 0.000 1.150 195 T CB -0.224 68.662 68.868 0.029 0.000 0.864 195 T HN 0.079 nan 8.240 nan 0.000 0.427 196 L N 0.390 121.550 121.223 -0.104 0.000 2.093 196 L HA -0.060 4.294 4.340 0.024 0.000 0.208 196 L C 2.652 179.431 176.870 -0.153 0.000 1.085 196 L CA 1.303 56.014 54.840 -0.215 0.000 0.755 196 L CB -0.431 41.340 42.059 -0.480 0.000 0.904 196 L HN 0.196 nan 8.230 nan 0.000 0.435 197 K N 0.115 120.457 120.400 -0.097 0.000 2.097 197 K HA -0.135 4.199 4.320 0.024 0.000 0.206 197 K C 2.232 178.829 176.600 -0.006 0.000 1.049 197 K CA 1.330 57.600 56.287 -0.028 0.000 0.933 197 K CB -0.247 32.251 32.500 -0.004 0.000 0.717 197 K HN 0.287 nan 8.250 nan 0.000 0.442 198 A N 1.727 124.542 122.820 -0.008 0.000 1.930 198 A HA -0.166 4.169 4.320 0.024 0.000 0.217 198 A C 1.931 179.517 177.584 0.004 0.000 1.175 198 A CA 1.285 53.327 52.037 0.009 0.000 0.627 198 A CB -0.196 18.814 19.000 0.018 0.000 0.815 198 A HN 0.161 nan 8.150 nan 0.000 0.443 199 E N -0.044 120.141 120.200 -0.025 0.000 2.051 199 E HA -0.126 4.238 4.350 0.024 0.000 0.192 199 E C 2.184 178.751 176.600 -0.054 0.000 0.991 199 E CA 1.519 57.878 56.400 -0.068 0.000 0.799 199 E CB -0.612 28.967 29.700 -0.202 0.000 0.748 199 E HN 0.409 nan 8.360 nan 0.000 0.449 200 V N 0.156 120.050 119.914 -0.032 0.000 2.591 200 V HA -0.035 4.099 4.120 0.024 0.000 0.249 200 V C 1.596 177.762 176.094 0.120 0.000 1.053 200 V CA 1.104 63.448 62.300 0.073 0.000 1.068 200 V CB -1.072 30.845 31.823 0.157 0.000 0.689 200 V HN 0.460 nan 8.190 nan 0.000 0.462 201 G N 0.851 109.697 108.800 0.075 0.000 2.564 201 G HA2 -0.314 3.660 3.960 0.024 0.000 0.273 201 G HA3 -0.314 3.660 3.960 0.024 0.000 0.273 201 G C 0.183 175.131 174.900 0.081 0.000 1.242 201 G CA 0.360 45.500 45.100 0.067 0.000 0.951 201 G HN 0.362 nan 8.290 nan 0.000 0.564 202 D N 1.874 122.311 120.400 0.062 0.000 2.328 202 D HA 0.277 4.932 4.640 0.024 0.000 0.226 202 D C 1.597 177.919 176.300 0.036 0.000 1.066 202 D CA 0.976 55.005 54.000 0.048 0.000 0.861 202 D CB -0.518 40.299 40.800 0.029 0.000 0.912 202 D HN 0.770 nan 8.370 nan 0.000 0.521 203 G N 0.651 109.493 108.800 0.069 0.000 2.484 203 G HA2 0.312 4.287 3.960 0.024 0.000 0.235 203 G HA3 0.312 4.287 3.960 0.024 0.000 0.235 203 G C -0.026 174.844 174.900 -0.051 0.000 1.282 203 G CA -0.209 44.895 45.100 0.005 0.000 0.857 203 G HN 0.140 nan 8.290 nan 0.000 0.571 204 I N 0.537 120.879 120.570 -0.380 0.000 2.465 204 I HA 0.396 4.581 4.170 0.024 0.000 0.291 204 I C -1.083 174.529 176.117 -0.841 0.000 1.014 204 I CA -0.583 60.493 61.300 -0.374 0.000 1.093 204 I CB 2.099 39.968 38.000 -0.219 0.000 1.267 204 I HN 0.475 nan 8.210 nan 0.000 0.431 205 W N 4.226 125.162 121.300 -0.607 0.000 2.819 205 W HA 0.529 5.204 4.660 0.025 0.000 0.337 205 W C -0.588 175.587 176.519 -0.574 0.000 1.077 205 W CA -0.417 56.516 57.345 -0.686 0.000 1.226 205 W CB 1.425 30.223 29.460 -1.103 0.000 1.419 205 W HN 0.294 nan 8.180 nan 0.000 0.502 206 Q N 1.149 120.880 119.800 -0.114 0.000 2.222 206 Q HA 0.613 4.968 4.340 0.024 0.000 0.252 206 Q C -0.867 175.159 176.000 0.044 0.000 0.926 206 Q CA -0.924 54.865 55.803 -0.023 0.000 0.899 206 Q CB 2.222 30.965 28.738 0.009 0.000 1.250 206 Q HN 0.228 nan 8.270 nan 0.000 0.441 207 V N 2.753 122.713 119.914 0.077 0.000 2.334 207 V HA 0.300 4.434 4.120 0.024 0.000 0.281 207 V C -0.535 175.531 176.094 -0.046 0.000 1.016 207 V CA -0.644 61.677 62.300 0.034 0.000 0.832 207 V CB 1.496 33.359 31.823 0.067 0.000 0.999 207 V HN 0.495 nan 8.190 nan 0.000 0.439 208 V N 6.501 126.362 119.914 -0.089 0.000 2.435 208 V HA 0.560 4.695 4.120 0.024 0.000 0.290 208 V C 0.064 176.030 176.094 -0.214 0.000 1.030 208 V CA -0.729 61.503 62.300 -0.113 0.000 0.881 208 V CB 1.813 33.617 31.823 -0.032 0.000 0.983 208 V HN 0.789 nan 8.190 nan 0.000 0.445 209 R N 4.990 125.286 120.500 -0.340 0.000 2.409 209 R HA 0.599 4.953 4.340 0.024 0.000 0.313 209 R C -0.402 175.728 176.300 -0.284 0.000 0.953 209 R CA -0.563 55.319 56.100 -0.365 0.000 0.849 209 R CB 2.133 32.092 30.300 -0.569 0.000 1.171 209 R HN 0.835 nan 8.270 nan 0.000 0.458 210 I N -0.247 120.162 120.570 -0.268 0.000 3.110 210 I HA 0.548 4.733 4.170 0.024 0.000 0.314 210 I C -2.319 173.575 176.117 -0.372 0.000 1.020 210 I CA -2.903 58.161 61.300 -0.394 0.000 1.169 210 I CB 0.777 38.381 38.000 -0.660 0.000 1.437 210 I HN 0.247 nan 8.210 nan 0.000 0.595 211 P HA 0.142 nan 4.420 nan 0.000 0.276 211 P C 0.243 177.396 177.300 -0.246 0.000 1.235 211 P CA -0.066 62.872 63.100 -0.270 0.000 0.772 211 P CB 0.940 32.479 31.700 -0.268 0.000 0.871 212 T N 2.862 117.334 114.554 -0.136 0.000 2.699 212 T HA -0.215 4.149 4.350 0.024 0.000 0.268 212 T C 1.617 176.262 174.700 -0.091 0.000 1.036 212 T CA 1.234 63.278 62.100 -0.093 0.000 1.147 212 T CB -0.730 68.128 68.868 -0.017 0.000 0.862 212 T HN 0.426 nan 8.240 nan 0.000 0.446 213 I N 0.649 121.170 120.570 -0.082 0.000 2.264 213 I HA -0.176 4.009 4.170 0.024 0.000 0.248 213 I C 2.158 178.221 176.117 -0.090 0.000 1.111 213 I CA 1.182 62.445 61.300 -0.061 0.000 1.382 213 I CB -0.017 37.960 38.000 -0.038 0.000 1.060 213 I HN 0.083 nan 8.210 nan 0.000 0.418 214 V N -0.457 119.347 119.914 -0.184 0.000 2.379 214 V HA -0.229 3.905 4.120 0.024 0.000 0.245 214 V C 2.512 178.504 176.094 -0.171 0.000 1.044 214 V CA 1.919 64.082 62.300 -0.227 0.000 1.036 214 V CB -0.248 31.214 31.823 -0.601 0.000 0.664 214 V HN 0.457 nan 8.190 nan 0.000 0.453 215 S N -0.478 115.103 115.700 -0.197 0.000 2.383 215 S HA -0.205 4.279 4.470 0.024 0.000 0.229 215 S C 2.174 176.745 174.600 -0.048 0.000 1.030 215 S CA 1.630 59.750 58.200 -0.133 0.000 1.002 215 S CB -0.181 62.911 63.200 -0.181 0.000 0.829 215 S HN 0.555 nan 8.310 nan 0.000 0.467 216 R N -0.255 120.224 120.500 -0.035 0.000 2.073 216 R HA 0.008 4.362 4.340 0.024 0.000 0.229 216 R C 2.428 178.743 176.300 0.026 0.000 1.120 216 R CA 1.718 57.828 56.100 0.016 0.000 0.967 216 R CB -0.731 29.583 30.300 0.024 0.000 0.862 216 R HN 0.338 nan 8.270 nan 0.000 0.436 217 T N 0.189 114.747 114.554 0.008 0.000 2.867 217 T HA -0.086 4.278 4.350 0.024 0.000 0.268 217 T C 1.491 176.214 174.700 0.039 0.000 1.057 217 T CA 0.882 62.996 62.100 0.024 0.000 1.136 217 T CB -0.007 68.875 68.868 0.024 0.000 0.874 217 T HN 0.273 nan 8.240 nan 0.000 0.466 218 C N 0.889 120.210 119.300 0.035 0.000 2.332 218 C HA 0.590 5.065 4.460 0.024 0.000 0.070 218 C C 0.023 175.061 174.990 0.080 0.000 2.415 218 C CA -0.527 58.527 59.018 0.060 0.000 1.820 218 C CB 0.532 28.312 27.740 0.067 0.000 2.740 218 C HN 0.705 nan 8.230 nan 0.000 0.314 219 D N -1.164 119.291 120.400 0.092 0.000 2.677 219 D HA 0.321 4.975 4.640 0.024 0.000 0.298 219 D C 0.561 176.936 176.300 0.126 0.000 1.250 219 D CA 0.165 54.250 54.000 0.143 0.000 0.888 219 D CB 0.492 41.393 40.800 0.168 0.000 1.397 219 D HN 0.476 nan 8.370 nan 0.000 0.461 220 G N -0.524 108.386 108.800 0.185 0.000 2.443 220 G HA2 0.038 4.013 3.960 0.024 0.000 0.219 220 G HA3 0.038 4.013 3.960 0.024 0.000 0.219 220 G C 1.271 176.247 174.900 0.126 0.000 1.131 220 G CA 1.019 46.202 45.100 0.137 0.000 0.775 220 G HN 0.697 nan 8.290 nan 0.000 0.547 221 A N 0.201 123.100 122.820 0.131 0.000 2.168 221 A HA 0.111 4.445 4.320 0.024 0.000 0.215 221 A C 2.392 180.054 177.584 0.131 0.000 1.152 221 A CA 1.956 54.060 52.037 0.112 0.000 0.716 221 A CB -0.525 18.529 19.000 0.090 0.000 0.794 221 A HN 0.246 nan 8.150 nan 0.000 0.465 222 T N -0.156 114.475 114.554 0.128 0.000 2.867 222 T HA -0.104 4.261 4.350 0.024 0.000 0.268 222 T C 1.969 176.775 174.700 0.177 0.000 1.057 222 T CA 1.841 64.033 62.100 0.154 0.000 1.136 222 T CB -0.362 68.582 68.868 0.128 0.000 0.874 222 T HN 0.554 nan 8.240 nan 0.000 0.466 223 T N 2.237 116.867 114.554 0.126 0.000 2.652 223 T HA -0.141 4.224 4.350 0.024 0.000 0.267 223 T C 2.461 177.258 174.700 0.163 0.000 1.039 223 T CA 1.797 63.956 62.100 0.099 0.000 1.153 223 T CB -0.478 68.419 68.868 0.049 0.000 0.863 223 T HN 0.624 nan 8.240 nan 0.000 0.428 224 S N 1.473 117.290 115.700 0.196 0.000 2.428 224 S HA 0.009 4.493 4.470 0.024 0.000 0.230 224 S C 2.021 176.720 174.600 0.166 0.000 1.014 224 S CA 0.404 58.701 58.200 0.162 0.000 0.957 224 S CB -0.288 63.037 63.200 0.208 0.000 0.784 224 S HN 0.414 nan 8.310 nan 0.000 0.499 225 R N -0.187 120.428 120.500 0.191 0.000 2.073 225 R HA 0.005 4.360 4.340 0.024 0.000 0.229 225 R C 2.186 178.588 176.300 0.170 0.000 1.120 225 R CA 1.311 57.506 56.100 0.158 0.000 0.967 225 R CB -0.417 29.973 30.300 0.149 0.000 0.862 225 R HN 0.597 nan 8.270 nan 0.000 0.436 226 W N 1.657 122.975 121.300 0.031 0.000 2.354 226 W HA -0.185 4.489 4.660 0.024 0.000 0.315 226 W C 2.219 178.741 176.519 0.005 0.000 1.206 226 W CA 1.872 59.226 57.345 0.015 0.000 1.290 226 W CB -0.680 28.785 29.460 0.008 0.000 1.152 226 W HN 0.073 nan 8.180 nan 0.000 0.489 227 S N 0.942 116.860 115.700 0.364 0.000 2.365 227 S HA -0.242 4.242 4.470 0.024 0.000 0.225 227 S C 2.114 176.774 174.600 0.101 0.000 1.039 227 S CA 2.689 61.012 58.200 0.206 0.000 1.033 227 S CB -0.754 62.522 63.200 0.126 0.000 0.887 227 S HN 0.265 nan 8.310 nan 0.000 0.447 228 A N 1.564 124.434 122.820 0.083 0.000 1.969 228 A HA 0.054 4.389 4.320 0.024 0.000 0.218 228 A C 2.308 179.906 177.584 0.022 0.000 1.169 228 A CA 1.594 53.664 52.037 0.054 0.000 0.635 228 A CB -0.551 18.485 19.000 0.060 0.000 0.810 228 A HN 0.575 nan 8.150 nan 0.000 0.445 229 M N -0.434 119.152 119.600 -0.024 0.000 2.086 229 M HA -0.134 4.360 4.480 0.024 0.000 0.261 229 M C 2.089 178.334 176.300 -0.092 0.000 1.067 229 M CA 1.335 56.585 55.300 -0.084 0.000 1.116 229 M CB -1.406 31.082 32.600 -0.186 0.000 1.348 229 M HN 0.391 nan 8.290 nan 0.000 0.407 230 Q N -0.196 119.537 119.800 -0.112 0.000 2.269 230 Q HA 0.131 4.485 4.340 0.024 0.000 0.201 230 Q C 2.245 178.230 176.000 -0.025 0.000 0.946 230 Q CA 0.852 56.597 55.803 -0.096 0.000 0.877 230 Q CB -0.275 28.397 28.738 -0.109 0.000 0.963 230 Q HN 0.555 nan 8.270 nan 0.000 0.472 231 I N 0.568 121.155 120.570 0.028 0.000 2.208 231 I HA -0.223 3.961 4.170 0.024 0.000 0.245 231 I C 2.247 178.407 176.117 0.073 0.000 1.097 231 I CA 1.346 62.711 61.300 0.109 0.000 1.363 231 I CB -0.598 37.467 38.000 0.108 0.000 1.051 231 I HN 0.221 nan 8.210 nan 0.000 0.413 232 G N 0.771 109.585 108.800 0.023 0.000 2.446 232 G HA2 -0.238 3.737 3.960 0.024 0.000 0.217 232 G HA3 -0.238 3.737 3.960 0.024 0.000 0.217 232 G C 1.626 176.505 174.900 -0.034 0.000 1.168 232 G CA 0.538 45.633 45.100 -0.007 0.000 0.771 232 G HN 0.115 nan 8.290 nan 0.000 0.551 233 M N 1.190 120.772 119.600 -0.030 0.000 2.159 233 M HA 0.004 4.498 4.480 0.024 0.000 0.263 233 M C 2.729 179.014 176.300 -0.025 0.000 1.063 233 M CA 1.046 56.325 55.300 -0.035 0.000 1.110 233 M CB -1.185 31.384 32.600 -0.051 0.000 1.374 233 M HN 0.172 nan 8.290 nan 0.000 0.411 234 S N 0.035 115.729 115.700 -0.009 0.000 2.406 234 S HA -0.016 4.468 4.470 0.024 0.000 0.228 234 S C 1.949 176.637 174.600 0.146 0.000 1.020 234 S CA 0.868 59.065 58.200 -0.005 0.000 0.965 234 S CB -0.043 63.074 63.200 -0.139 0.000 0.798 234 S HN 0.358 nan 8.310 nan 0.000 0.488 235 M N 1.079 120.753 119.600 0.122 0.000 2.086 235 M HA 0.002 4.497 4.480 0.024 0.000 0.261 235 M C 2.072 178.334 176.300 -0.063 0.000 1.067 235 M CA 1.351 56.612 55.300 -0.065 0.000 1.116 235 M CB -1.269 30.936 32.600 -0.658 0.000 1.348 235 M HN 0.295 nan 8.290 nan 0.000 0.407 236 I N -0.631 119.884 120.570 -0.093 0.000 2.151 236 I HA -0.343 3.841 4.170 0.024 0.000 0.243 236 I C 2.770 178.895 176.117 0.014 0.000 1.080 236 I CA 1.579 62.859 61.300 -0.033 0.000 1.339 236 I CB -0.453 37.535 38.000 -0.021 0.000 1.039 236 I HN 0.321 nan 8.210 nan 0.000 0.409 237 S N 0.138 115.840 115.700 0.004 0.000 2.345 237 S HA -0.070 4.414 4.470 0.024 0.000 0.219 237 S C 2.143 176.743 174.600 0.000 0.000 1.031 237 S CA 1.209 59.405 58.200 -0.006 0.000 0.984 237 S CB -0.190 62.985 63.200 -0.041 0.000 0.874 237 S HN 0.446 nan 8.310 nan 0.000 0.451 238 A N -0.618 122.189 122.820 -0.022 0.000 2.014 238 A HA 0.127 4.462 4.320 0.024 0.000 0.218 238 A C 1.426 178.882 177.584 -0.212 0.000 1.163 238 A CA 0.969 52.942 52.037 -0.107 0.000 0.652 238 A CB -0.598 18.296 19.000 -0.176 0.000 0.808 238 A HN 0.699 nan 8.150 nan 0.000 0.449 239 Y N -0.903 119.423 120.300 0.044 0.000 2.485 239 Y HA 0.241 4.805 4.550 0.024 0.000 0.260 239 Y C 0.410 176.318 175.900 0.014 0.000 1.173 239 Y CA -0.157 57.955 58.100 0.020 0.000 1.252 239 Y CB 0.172 38.614 38.460 -0.029 0.000 1.123 239 Y HN 0.254 nan 8.280 nan 0.000 0.524 240 K N 1.267 121.730 120.400 0.106 0.000 3.071 240 K HA -0.271 4.063 4.320 0.024 0.000 0.265 240 K C 0.106 176.750 176.600 0.074 0.000 1.060 240 K CA 0.768 57.096 56.287 0.068 0.000 0.767 240 K CB -1.391 31.137 32.500 0.046 0.000 1.241 240 K HN 0.637 nan 8.250 nan 0.000 0.486 241 Q N -0.273 119.575 119.800 0.081 0.000 2.185 241 Q HA 0.642 4.996 4.340 0.024 0.000 0.225 241 Q C 0.018 176.049 176.000 0.053 0.000 0.983 241 Q CA -0.326 55.522 55.803 0.075 0.000 0.950 241 Q CB 1.114 29.910 28.738 0.096 0.000 1.176 241 Q HN 0.233 nan 8.270 nan 0.000 0.510 242 A N 0.590 123.441 122.820 0.051 0.000 2.511 242 A HA 0.415 4.749 4.320 0.024 0.000 0.242 242 A C 0.157 177.764 177.584 0.039 0.000 1.069 242 A CA 0.215 52.275 52.037 0.039 0.000 0.763 242 A CB -0.223 18.798 19.000 0.036 0.000 1.001 242 A HN 0.823 nan 8.150 nan 0.000 0.498 243 A N 2.525 125.361 122.820 0.028 0.000 2.990 243 A HA 0.539 4.874 4.320 0.024 0.000 0.282 243 A C 1.022 178.621 177.584 0.025 0.000 1.688 243 A CA 0.380 52.431 52.037 0.023 0.000 1.391 243 A CB -1.376 17.633 19.000 0.014 0.000 1.112 243 A HN 2.677 nan 8.150 nan 0.000 0.588 244 G N 1.726 110.548 108.800 0.036 0.000 2.698 244 G HA2 0.069 4.044 3.960 0.024 0.000 0.360 244 G HA3 0.069 4.044 3.960 0.024 0.000 0.360 244 G C -0.649 174.273 174.900 0.037 0.000 1.005 244 G CA -0.129 44.994 45.100 0.037 0.000 1.293 244 G HN 1.121 nan 8.290 nan 0.000 0.590 245 E N 0.169 120.399 120.200 0.051 0.000 2.428 245 E HA 0.831 5.195 4.350 0.024 0.000 0.259 245 E C 1.530 178.153 176.600 0.038 0.000 0.930 245 E CA -0.478 55.945 56.400 0.039 0.000 0.823 245 E CB 0.923 30.649 29.700 0.043 0.000 1.403 245 E HN 0.938 nan 8.360 nan 0.000 0.415 246 A N 0.534 123.365 122.820 0.018 0.000 1.948 246 A HA -0.174 4.160 4.320 0.024 0.000 0.220 246 A C 2.193 179.774 177.584 -0.005 0.000 1.177 246 A CA 2.334 54.371 52.037 -0.000 0.000 0.636 246 A CB -1.200 17.789 19.000 -0.017 0.000 0.815 246 A HN 0.663 nan 8.150 nan 0.000 0.449 247 A N -1.270 121.557 122.820 0.012 0.000 2.067 247 A HA 0.050 4.384 4.320 0.024 0.000 0.217 247 A C 2.140 179.748 177.584 0.040 0.000 1.156 247 A CA 1.800 53.818 52.037 -0.032 0.000 0.683 247 A CB -1.032 17.965 19.000 -0.004 0.000 0.808 247 A HN 0.429 nan 8.150 nan 0.000 0.455 248 T N 0.083 114.739 114.554 0.170 0.000 2.737 248 T HA -0.138 4.226 4.350 0.024 0.000 0.269 248 T C 1.882 176.704 174.700 0.203 0.000 1.040 248 T CA 1.528 63.800 62.100 0.287 0.000 1.142 248 T CB -0.503 68.462 68.868 0.162 0.000 0.861 248 T HN 0.581 nan 8.240 nan 0.000 0.456 249 G N 1.178 110.025 108.800 0.078 0.000 2.443 249 G HA2 -0.174 3.800 3.960 0.024 0.000 0.219 249 G HA3 -0.174 3.800 3.960 0.024 0.000 0.219 249 G C 1.267 176.184 174.900 0.027 0.000 1.131 249 G CA 0.616 45.745 45.100 0.049 0.000 0.775 249 G HN 0.377 nan 8.290 nan 0.000 0.547 250 D N 0.495 120.843 120.400 -0.087 0.000 2.117 250 D HA -0.049 4.605 4.640 0.024 0.000 0.198 250 D C 2.088 178.290 176.300 -0.163 0.000 0.982 250 D CA 0.543 54.433 54.000 -0.183 0.000 0.828 250 D CB -0.299 40.256 40.800 -0.408 0.000 0.967 250 D HN 0.354 nan 8.370 nan 0.000 0.464 251 F N 1.396 121.356 119.950 0.016 0.000 2.186 251 F HA -0.010 4.531 4.527 0.024 0.000 0.299 251 F C 2.457 178.271 175.800 0.023 0.000 1.090 251 F CA 0.704 58.704 58.000 -0.001 0.000 1.307 251 F CB -0.724 38.265 39.000 -0.019 0.000 1.019 251 F HN -0.093 nan 8.300 nan 0.000 0.489 252 A N -0.523 122.428 122.820 0.219 0.000 1.858 252 A HA -0.266 4.068 4.320 0.024 0.000 0.216 252 A C 2.100 179.769 177.584 0.141 0.000 1.190 252 A CA 1.658 53.788 52.037 0.155 0.000 0.617 252 A CB -1.500 17.580 19.000 0.132 0.000 0.827 252 A HN 0.455 nan 8.150 nan 0.000 0.443 253 Y N 0.640 120.953 120.300 0.022 0.000 2.181 253 Y HA -0.087 4.478 4.550 0.024 0.000 0.288 253 Y C 2.648 178.557 175.900 0.015 0.000 1.146 253 Y CA 1.160 59.263 58.100 0.006 0.000 1.164 253 Y CB -0.514 37.927 38.460 -0.033 0.000 0.982 253 Y HN 0.316 nan 8.280 nan 0.000 0.515 254 A N 0.278 123.114 122.820 0.026 0.000 1.877 254 A HA -0.098 4.237 4.320 0.024 0.000 0.216 254 A C 2.399 179.957 177.584 -0.044 0.000 1.186 254 A CA 1.999 54.025 52.037 -0.019 0.000 0.620 254 A CB -1.477 17.553 19.000 0.050 0.000 0.822 254 A HN 0.562 nan 8.150 nan 0.000 0.443 255 A N -0.705 122.117 122.820 0.003 0.000 2.014 255 A HA 0.074 4.408 4.320 0.024 0.000 0.218 255 A C 1.444 179.016 177.584 -0.019 0.000 1.163 255 A CA 0.975 53.011 52.037 -0.001 0.000 0.652 255 A CB -0.139 18.886 19.000 0.041 0.000 0.808 255 A HN 0.539 nan 8.150 nan 0.000 0.449 259 E N 0.253 120.465 120.200 0.020 0.000 3.428 259 E HA 0.400 4.765 4.350 0.024 0.000 0.191 259 E C -1.115 175.513 176.600 0.046 0.000 0.980 259 E CA 0.096 56.499 56.400 0.005 0.000 1.305 259 E CB 1.297 30.877 29.700 -0.200 0.000 1.105 259 E HN 0.277 nan 8.360 nan 0.000 0.455 260 V N 1.356 121.275 119.914 0.008 0.000 2.532 260 V HA 0.422 4.557 4.120 0.024 0.000 0.295 260 V C -0.782 175.283 176.094 -0.047 0.000 1.041 260 V CA -0.612 61.655 62.300 -0.056 0.000 0.926 260 V CB 1.315 33.026 31.823 -0.187 0.000 0.992 260 V HN 0.175 nan 8.190 nan 0.000 0.457 261 I N 6.240 126.769 120.570 -0.069 0.000 2.382 261 I HA 0.424 4.608 4.170 0.024 0.000 0.285 261 I C 0.034 176.114 176.117 -0.062 0.000 1.007 261 I CA -0.360 60.916 61.300 -0.040 0.000 1.142 261 I CB 0.837 38.785 38.000 -0.088 0.000 1.289 261 I HN 0.717 nan 8.210 nan 0.000 0.453 262 H N 5.210 124.352 119.070 0.120 0.000 2.679 262 H HA 0.253 4.823 4.556 0.024 0.000 0.369 262 H C 1.243 176.699 175.328 0.212 0.000 1.178 262 H CA -0.247 55.880 56.048 0.132 0.000 1.419 262 H CB 1.156 30.985 29.762 0.111 0.000 1.458 262 H HN 0.396 nan 8.280 nan 0.000 0.605 263 M N 0.846 120.639 119.600 0.322 0.000 2.288 263 M HA 0.112 4.606 4.480 0.024 0.000 0.266 263 M C 0.974 177.438 176.300 0.273 0.000 1.072 263 M CA 0.696 56.200 55.300 0.340 0.000 1.132 263 M CB -0.360 32.389 32.600 0.247 0.000 1.386 263 M HN 0.684 nan 8.290 nan 0.000 0.432 264 G N 0.367 109.279 108.800 0.186 0.000 2.591 264 G HA2 0.518 4.493 3.960 0.024 0.000 0.306 264 G HA3 0.518 4.493 3.960 0.024 0.000 0.306 264 G C -0.545 174.346 174.900 -0.015 0.000 1.334 264 G CA -0.485 44.631 45.100 0.026 0.000 0.981 264 G HN 0.227 nan 8.290 nan 0.000 0.491 265 T N -0.937 113.548 114.554 -0.117 0.000 2.899 265 T HA 0.534 4.898 4.350 0.024 0.000 0.284 265 T C 0.422 175.012 174.700 -0.184 0.000 1.004 265 T CA -0.586 61.411 62.100 -0.171 0.000 1.043 265 T CB 0.907 69.624 68.868 -0.251 0.000 1.013 265 T HN 0.726 nan 8.240 nan 0.000 0.518 266 Y N 0.501 120.740 120.300 -0.102 0.000 2.385 266 Y HA 0.599 5.163 4.550 0.024 0.000 0.346 266 Y C -0.444 175.430 175.900 -0.043 0.000 1.270 266 Y CA -1.438 56.623 58.100 -0.065 0.000 1.472 266 Y CB 0.011 38.440 38.460 -0.052 0.000 1.354 266 Y HN 0.561 nan 8.280 nan 0.000 0.611 267 L N 2.543 123.887 121.223 0.203 0.000 2.313 267 L HA 0.546 4.900 4.340 0.024 0.000 0.268 267 L C -2.051 174.941 176.870 0.204 0.000 1.010 267 L CA -2.382 52.528 54.840 0.116 0.000 0.814 267 L CB 1.749 43.888 42.059 0.132 0.000 1.304 267 L HN 0.560 nan 8.230 nan 0.000 0.441 268 P HA 0.096 nan 4.420 nan 0.000 0.274 268 P C 0.820 178.181 177.300 0.102 0.000 1.246 268 P CA -0.477 62.691 63.100 0.113 0.000 0.795 268 P CB 0.918 32.651 31.700 0.054 0.000 1.006 269 V N -0.167 119.795 119.914 0.080 0.000 2.392 269 V HA -0.195 3.939 4.120 0.024 0.000 0.249 269 V C 1.871 178.000 176.094 0.057 0.000 1.059 269 V CA 1.533 63.872 62.300 0.064 0.000 1.051 269 V CB -0.916 30.933 31.823 0.044 0.000 0.658 269 V HN 0.601 nan 8.190 nan 0.000 0.455 273 R N 0.257 120.871 120.500 0.191 0.000 2.664 273 R HA 0.609 4.964 4.340 0.024 0.000 0.266 273 R C 0.456 176.866 176.300 0.183 0.000 1.046 273 R CA 0.186 56.414 56.100 0.213 0.000 0.885 273 R CB 1.922 32.388 30.300 0.277 0.000 1.254 273 R HN 1.423 nan 8.270 nan 0.000 0.465 274 G N 0.688 109.584 108.800 0.160 0.000 2.535 274 G HA2 0.289 4.263 3.960 0.024 0.000 0.282 274 G HA3 0.289 4.263 3.960 0.024 0.000 0.282 274 G C -0.698 174.274 174.900 0.119 0.000 1.350 274 G CA -0.440 44.736 45.100 0.126 0.000 1.039 274 G HN 0.509 nan 8.290 nan 0.000 0.509 275 E N -0.671 119.557 120.200 0.048 0.000 2.442 275 E HA 0.124 4.488 4.350 0.024 0.000 0.260 275 E C 0.305 176.948 176.600 0.071 0.000 1.148 275 E CA 0.397 56.775 56.400 -0.036 0.000 0.976 275 E CB 0.136 29.604 29.700 -0.388 0.000 0.967 275 E HN 0.425 nan 8.360 nan 0.000 0.454 276 N N 0.845 119.607 118.700 0.102 0.000 2.740 276 N HA -0.165 4.590 4.740 0.024 0.000 0.248 276 N C -1.343 174.349 175.510 0.304 0.000 1.062 276 N CA 0.870 54.032 53.050 0.187 0.000 0.704 276 N CB -0.663 37.921 38.487 0.163 0.000 0.968 276 N HN 0.341 nan 8.380 nan 0.000 0.547 277 E N -1.344 118.977 120.200 0.202 0.000 2.263 277 E HA 0.361 4.726 4.350 0.024 0.000 0.264 277 E C -1.615 174.793 176.600 -0.320 0.000 0.923 277 E CA -1.785 54.682 56.400 0.112 0.000 0.802 277 E CB 0.902 30.621 29.700 0.032 0.000 1.228 277 E HN -0.082 nan 8.360 nan 0.000 0.417 278 P HA -0.081 nan 4.420 nan 0.000 0.218 278 P C 1.218 177.799 177.300 -1.198 0.000 1.149 278 P CA 1.328 63.788 63.100 -1.067 0.000 0.817 278 P CB 0.199 31.161 31.700 -1.230 0.000 0.785 279 G N -0.452 107.105 108.800 -2.072 0.000 2.471 279 G HA2 -0.148 3.826 3.960 0.024 0.000 0.219 279 G HA3 -0.148 3.826 3.960 0.024 0.000 0.219 279 G C 1.555 176.057 174.900 -0.664 0.000 1.125 279 G CA 0.749 44.934 45.100 -1.525 0.000 0.775 279 G HN 0.389 nan 8.290 nan 0.000 0.548 280 G N -0.373 108.125 108.800 -0.503 0.000 2.880 280 G HA2 0.253 4.228 3.960 0.024 0.000 0.209 280 G HA3 0.253 4.228 3.960 0.024 0.000 0.209 280 G C 0.288 175.031 174.900 -0.261 0.000 1.157 280 G CA -0.023 44.895 45.100 -0.304 0.000 0.779 280 G HN 0.245 nan 8.290 nan 0.000 0.539 281 V N 3.633 123.414 119.914 -0.223 0.000 2.408 281 V HA 0.227 4.361 4.120 0.024 0.000 0.267 281 V C -1.695 174.286 176.094 -0.188 0.000 1.047 281 V CA -1.737 60.497 62.300 -0.110 0.000 0.937 281 V CB 1.379 33.234 31.823 0.052 0.000 0.999 281 V HN 0.105 nan 8.190 nan 0.000 0.472 282 P HA 0.197 nan 4.420 nan 0.000 0.274 282 P C 0.555 177.785 177.300 -0.116 0.000 1.237 282 P CA -0.313 62.553 63.100 -0.389 0.000 0.793 282 P CB 0.748 32.236 31.700 -0.353 0.000 0.977 283 F N 1.117 121.066 119.950 -0.001 0.000 2.161 283 F HA -0.085 4.456 4.527 0.025 0.000 0.300 283 F C 2.628 178.498 175.800 0.117 0.000 1.089 283 F CA 1.945 59.990 58.000 0.075 0.000 1.282 283 F CB -2.068 36.919 39.000 -0.022 0.000 1.010 283 F HN 0.402 nan 8.300 nan 0.000 0.485 284 G N -1.397 107.561 108.800 0.263 0.000 2.408 284 G HA2 -0.250 3.724 3.960 0.024 0.000 0.217 284 G HA3 -0.250 3.724 3.960 0.024 0.000 0.217 284 G C 1.519 176.727 174.900 0.514 0.000 1.150 284 G CA 0.535 45.840 45.100 0.342 0.000 0.776 284 G HN 0.255 nan 8.290 nan 0.000 0.542 285 Y N 0.097 120.579 120.300 0.303 0.000 2.242 285 Y HA 0.078 4.642 4.550 0.024 0.000 0.291 285 Y C 2.640 178.578 175.900 0.063 0.000 1.137 285 Y CA -0.361 57.825 58.100 0.144 0.000 1.181 285 Y CB -0.708 37.803 38.460 0.086 0.000 0.989 285 Y HN 0.066 nan 8.280 nan 0.000 0.527 286 L N -0.087 121.303 121.223 0.278 0.000 2.083 286 L HA -0.187 4.167 4.340 0.024 0.000 0.209 286 L C 2.236 179.165 176.870 0.099 0.000 1.083 286 L CA 2.076 56.993 54.840 0.128 0.000 0.752 286 L CB -1.214 40.955 42.059 0.184 0.000 0.899 286 L HN 0.225 nan 8.230 nan 0.000 0.433 287 A N -0.515 122.405 122.820 0.166 0.000 1.933 287 A HA -0.220 4.114 4.320 0.024 0.000 0.218 287 A C 1.862 179.511 177.584 0.109 0.000 1.175 287 A CA 1.832 53.952 52.037 0.138 0.000 0.628 287 A CB -0.463 18.636 19.000 0.165 0.000 0.814 287 A HN 0.495 nan 8.150 nan 0.000 0.444 288 D N -0.398 120.064 120.400 0.104 0.000 2.234 288 D HA 0.010 4.664 4.640 0.024 0.000 0.205 288 D C 1.841 178.123 176.300 -0.030 0.000 0.962 288 D CA 0.636 54.674 54.000 0.062 0.000 0.855 288 D CB -0.186 40.641 40.800 0.045 0.000 0.951 288 D HN 0.513 nan 8.370 nan 0.000 0.500 289 I N 0.610 121.076 120.570 -0.174 0.000 2.202 289 I HA -0.170 4.014 4.170 0.024 0.000 0.242 289 I C 1.407 177.368 176.117 -0.259 0.000 1.091 289 I CA 0.230 61.205 61.300 -0.542 0.000 1.368 289 I CB -0.004 37.513 38.000 -0.805 0.000 1.058 289 I HN 0.022 nan 8.210 nan 0.000 0.410 290 C N 2.777 122.060 119.300 -0.029 0.000 2.538 290 C HA -0.062 4.413 4.460 0.024 0.000 0.408 290 C C 1.538 176.617 174.990 0.148 0.000 1.421 290 C CA -0.013 59.091 59.018 0.142 0.000 1.642 290 C CB -0.102 27.704 27.740 0.110 0.000 2.553 290 C HN 0.419 nan 8.230 nan 0.000 0.604 291 Q N 3.306 123.230 119.800 0.207 0.000 2.198 291 Q HA 0.036 4.390 4.340 0.024 0.000 0.209 291 Q C 1.952 178.023 176.000 0.119 0.000 0.848 291 Q CA 0.222 56.120 55.803 0.160 0.000 0.974 291 Q CB 0.363 29.208 28.738 0.180 0.000 1.115 291 Q HN 0.931 nan 8.270 nan 0.000 0.494 292 S N 1.256 117.026 115.700 0.116 0.000 2.383 292 S HA -0.173 4.311 4.470 0.024 0.000 0.229 292 S C 2.064 176.734 174.600 0.116 0.000 1.030 292 S CA 1.773 60.026 58.200 0.089 0.000 1.002 292 S CB 0.099 63.342 63.200 0.072 0.000 0.829 292 S HN 0.607 nan 8.310 nan 0.000 0.467 293 S N 2.512 118.301 115.700 0.148 0.000 2.392 293 S HA -0.244 4.241 4.470 0.024 0.000 0.232 293 S C 1.806 176.565 174.600 0.265 0.000 1.041 293 S CA 1.461 59.780 58.200 0.198 0.000 1.026 293 S CB -0.787 62.534 63.200 0.203 0.000 0.845 293 S HN 0.856 nan 8.310 nan 0.000 0.465 294 R N 1.065 121.685 120.500 0.199 0.000 2.300 294 R HA 0.258 4.612 4.340 0.024 0.000 0.199 294 R C 1.781 178.238 176.300 0.261 0.000 0.920 294 R CA 0.816 57.018 56.100 0.170 0.000 1.046 294 R CB -0.294 29.883 30.300 -0.205 0.000 0.984 294 R HN 0.560 nan 8.270 nan 0.000 0.493 295 V N -3.369 116.667 119.914 0.203 0.000 3.359 295 V HA 0.272 4.407 4.120 0.024 0.000 0.245 295 V C 0.650 176.701 176.094 -0.071 0.000 1.247 295 V CA -0.026 62.339 62.300 0.108 0.000 1.145 295 V CB 0.210 32.051 31.823 0.029 0.000 0.906 295 V HN 0.142 nan 8.190 nan 0.000 0.464 296 N N 0.591 119.261 118.700 -0.050 0.000 2.275 296 N HA 0.189 4.943 4.740 0.024 0.000 0.236 296 N C 1.188 176.584 175.510 -0.191 0.000 1.154 296 N CA 0.454 53.410 53.050 -0.158 0.000 0.866 296 N CB 0.251 38.712 38.487 -0.044 0.000 1.093 296 N HN 0.835 nan 8.380 nan 0.000 0.515 297 Y N 0.623 120.942 120.300 0.031 0.000 2.384 297 Y HA 0.039 4.603 4.550 0.023 0.000 0.289 297 Y C 1.525 177.433 175.900 0.013 0.000 1.152 297 Y CA 0.704 58.823 58.100 0.031 0.000 1.258 297 Y CB -0.342 38.147 38.460 0.047 0.000 0.979 297 Y HN -0.092 nan 8.280 nan 0.000 0.549 298 E N 0.349 120.339 120.200 -0.350 0.000 2.511 298 E HA -0.073 4.291 4.350 0.024 0.000 0.196 298 E C -0.225 176.329 176.600 -0.077 0.000 1.066 298 E CA 0.681 57.003 56.400 -0.131 0.000 0.871 298 E CB -0.058 29.535 29.700 -0.178 0.000 0.863 298 E HN 0.493 nan 8.360 nan 0.000 0.520 299 D N 0.292 120.646 120.400 -0.075 0.000 2.378 299 D HA 0.112 4.767 4.640 0.024 0.000 0.265 299 D C -1.948 174.312 176.300 -0.067 0.000 1.229 299 D CA -2.233 51.745 54.000 -0.038 0.000 0.914 299 D CB 1.326 42.135 40.800 0.014 0.000 1.140 299 D HN -0.204 nan 8.370 nan 0.000 0.516 300 P HA -0.114 nan 4.420 nan 0.000 0.222 300 P C 1.566 178.777 177.300 -0.149 0.000 1.147 300 P CA 0.366 63.362 63.100 -0.174 0.000 0.790 300 P CB 0.713 32.174 31.700 -0.398 0.000 0.780 301 V N 0.869 120.640 119.914 -0.238 0.000 2.307 301 V HA -0.198 3.936 4.120 0.024 0.000 0.245 301 V C 2.894 178.919 176.094 -0.114 0.000 1.045 301 V CA 1.976 64.152 62.300 -0.208 0.000 1.024 301 V CB -1.114 30.244 31.823 -0.774 0.000 0.651 301 V HN 0.065 nan 8.190 nan 0.000 0.449 302 R N 0.660 121.113 120.500 -0.078 0.000 2.091 302 R HA -0.145 4.209 4.340 0.024 0.000 0.238 302 R C 1.980 178.297 176.300 0.028 0.000 1.136 302 R CA 2.097 58.204 56.100 0.013 0.000 0.959 302 R CB -1.206 29.127 30.300 0.054 0.000 0.856 302 R HN 0.332 nan 8.270 nan 0.000 0.437 303 V N 0.111 120.047 119.914 0.037 0.000 2.261 303 V HA -0.229 3.906 4.120 0.024 0.000 0.246 303 V C 2.221 178.368 176.094 0.088 0.000 1.047 303 V CA 2.258 64.600 62.300 0.070 0.000 1.015 303 V CB -0.635 31.243 31.823 0.092 0.000 0.642 303 V HN 0.418 nan 8.190 nan 0.000 0.446 304 S N 0.108 115.877 115.700 0.115 0.000 2.370 304 S HA -0.108 4.376 4.470 0.024 0.000 0.226 304 S C 1.849 176.499 174.600 0.083 0.000 1.033 304 S CA 1.482 59.759 58.200 0.129 0.000 1.011 304 S CB -0.339 62.986 63.200 0.208 0.000 0.852 304 S HN 0.459 nan 8.310 nan 0.000 0.457 305 L N 1.041 122.303 121.223 0.066 0.000 2.313 305 L HA -0.026 4.329 4.340 0.024 0.000 0.214 305 L C 1.807 178.707 176.870 0.050 0.000 1.119 305 L CA 0.738 55.613 54.840 0.058 0.000 0.809 305 L CB -0.547 41.540 42.059 0.047 0.000 0.933 305 L HN 0.186 nan 8.230 nan 0.000 0.449 306 D N -0.023 120.399 120.400 0.037 0.000 2.144 306 D HA -0.120 4.534 4.640 0.024 0.000 0.200 306 D C 2.328 178.640 176.300 0.019 0.000 0.978 306 D CA 0.959 54.963 54.000 0.008 0.000 0.833 306 D CB 0.104 40.910 40.800 0.011 0.000 0.961 306 D HN 0.073 nan 8.370 nan 0.000 0.470 307 V N 0.622 120.567 119.914 0.051 0.000 2.358 307 V HA -0.191 3.943 4.120 0.024 0.000 0.246 307 V C 2.667 178.793 176.094 0.054 0.000 1.047 307 V CA 0.926 63.262 62.300 0.059 0.000 1.035 307 V CB -0.407 31.463 31.823 0.078 0.000 0.658 307 V HN 0.047 nan 8.190 nan 0.000 0.452 308 V N 0.460 120.408 119.914 0.057 0.000 2.287 308 V HA -0.302 3.832 4.120 0.024 0.000 0.248 308 V C 2.739 178.899 176.094 0.110 0.000 1.053 308 V CA 2.131 64.472 62.300 0.068 0.000 1.027 308 V CB -1.230 30.638 31.823 0.074 0.000 0.646 308 V HN 0.566 nan 8.190 nan 0.000 0.447 309 A N -0.075 122.806 122.820 0.102 0.000 1.883 309 A HA -0.272 4.063 4.320 0.024 0.000 0.217 309 A C 2.410 180.054 177.584 0.100 0.000 1.186 309 A CA 2.732 54.834 52.037 0.108 0.000 0.624 309 A CB -1.189 17.775 19.000 -0.061 0.000 0.822 309 A HN 0.519 nan 8.150 nan 0.000 0.444 310 T N -0.302 114.265 114.554 0.021 0.000 2.665 310 T HA -0.125 4.240 4.350 0.024 0.000 0.268 310 T C 1.903 176.598 174.700 -0.009 0.000 1.035 310 T CA 1.799 63.919 62.100 0.033 0.000 1.151 310 T CB -0.712 68.162 68.868 0.010 0.000 0.862 310 T HN 0.609 nan 8.240 nan 0.000 0.438 311 G N 0.528 109.318 108.800 -0.016 0.000 2.408 311 G HA2 0.157 4.131 3.960 0.024 0.000 0.215 311 G HA3 0.157 4.131 3.960 0.024 0.000 0.215 311 G C 1.822 176.764 174.900 0.070 0.000 1.156 311 G CA 0.731 45.780 45.100 -0.086 0.000 0.793 311 G HN 0.580 nan 8.290 nan 0.000 0.535 312 A N 0.629 123.536 122.820 0.145 0.000 1.877 312 A HA 0.042 4.376 4.320 0.024 0.000 0.216 312 A C 2.302 180.000 177.584 0.191 0.000 1.186 312 A CA 1.923 54.082 52.037 0.203 0.000 0.620 312 A CB -0.399 18.771 19.000 0.284 0.000 0.822 312 A HN 0.325 nan 8.150 nan 0.000 0.443 313 M N -0.654 119.038 119.600 0.153 0.000 2.059 313 M HA -0.107 4.387 4.480 0.024 0.000 0.259 313 M C 2.163 178.434 176.300 -0.048 0.000 1.072 313 M CA 1.968 57.280 55.300 0.020 0.000 1.117 313 M CB -0.886 31.563 32.600 -0.252 0.000 1.320 313 M HN 0.385 nan 8.290 nan 0.000 0.408 314 L N 0.240 121.394 121.223 -0.116 0.000 1.989 314 L HA -0.235 4.120 4.340 0.024 0.000 0.211 314 L C 2.116 178.917 176.870 -0.116 0.000 1.071 314 L CA 2.084 56.786 54.840 -0.230 0.000 0.749 314 L CB -1.313 40.512 42.059 -0.390 0.000 0.890 314 L HN 0.308 nan 8.230 nan 0.000 0.431 315 Y N -0.492 119.815 120.300 0.012 0.000 2.263 315 Y HA -0.104 4.461 4.550 0.024 0.000 0.292 315 Y C 2.451 178.455 175.900 0.174 0.000 1.130 315 Y CA 1.150 59.315 58.100 0.109 0.000 1.179 315 Y CB -0.651 37.878 38.460 0.115 0.000 0.998 315 Y HN 0.284 nan 8.280 nan 0.000 0.532 316 D N -1.057 119.508 120.400 0.275 0.000 2.216 316 D HA -0.049 4.605 4.640 0.024 0.000 0.208 316 D C 1.945 178.391 176.300 0.243 0.000 0.960 316 D CA 0.900 55.046 54.000 0.242 0.000 0.861 316 D CB -0.090 40.826 40.800 0.192 0.000 0.985 316 D HN 0.383 nan 8.370 nan 0.000 0.493 317 Q N -0.159 119.715 119.800 0.123 0.000 2.089 317 Q HA 0.138 4.493 4.340 0.024 0.000 0.195 317 Q C 2.241 178.108 176.000 -0.221 0.000 0.963 317 Q CA 0.607 56.433 55.803 0.038 0.000 0.834 317 Q CB 0.564 29.320 28.738 0.030 0.000 0.906 317 Q HN 0.248 nan 8.270 nan 0.000 0.452 318 I N -0.453 119.909 120.570 -0.347 0.000 2.494 318 I HA -0.136 4.049 4.170 0.024 0.000 0.250 318 I C 2.103 178.112 176.117 -0.180 0.000 1.112 318 I CA 0.565 61.485 61.300 -0.633 0.000 1.438 318 I CB -0.189 37.463 38.000 -0.580 0.000 1.111 318 I HN 0.404 nan 8.210 nan 0.000 0.431 319 W N 1.817 122.956 121.300 -0.268 0.000 2.474 319 W HA -0.104 4.570 4.660 0.024 0.000 0.319 319 W C 2.097 178.610 176.519 -0.010 0.000 1.165 319 W CA 0.944 58.168 57.345 -0.203 0.000 1.356 319 W CB -0.271 29.052 29.460 -0.228 0.000 1.172 319 W HN -0.038 nan 8.180 nan 0.000 0.478 320 L N 0.931 122.101 121.223 -0.088 0.000 2.093 320 L HA -0.052 4.302 4.340 0.024 0.000 0.208 320 L C 2.601 179.502 176.870 0.051 0.000 1.085 320 L CA 1.531 56.308 54.840 -0.106 0.000 0.755 320 L CB -1.282 40.867 42.059 0.150 0.000 0.904 320 L HN 0.167 nan 8.230 nan 0.000 0.435 321 G N -2.305 106.533 108.800 0.063 0.000 2.985 321 G HA2 -0.034 3.940 3.960 0.024 0.000 0.209 321 G HA3 -0.034 3.940 3.960 0.024 0.000 0.209 321 G C 1.360 176.104 174.900 -0.260 0.000 1.165 321 G CA 0.811 45.710 45.100 -0.336 0.000 0.776 321 G HN 0.315 nan 8.290 nan 0.000 0.541 322 S N -1.912 113.690 115.700 -0.163 0.000 4.198 322 S HA 0.119 4.604 4.470 0.024 0.000 0.202 322 S C 1.618 176.158 174.600 -0.101 0.000 1.124 322 S CA -0.141 58.007 58.200 -0.087 0.000 1.050 322 S CB -0.525 62.642 63.200 -0.055 0.000 1.401 322 S HN 0.129 nan 8.310 nan 0.000 0.589 323 Y N 1.846 121.998 120.300 -0.247 0.000 2.151 323 Y HA -0.018 4.546 4.550 0.024 0.000 0.284 323 Y C 2.263 177.924 175.900 -0.399 0.000 1.166 323 Y CA 1.679 59.620 58.100 -0.265 0.000 1.163 323 Y CB -0.052 38.217 38.460 -0.318 0.000 0.974 323 Y HN 0.295 nan 8.280 nan 0.000 0.511 324 M N -1.529 117.844 119.600 -0.379 0.000 2.428 324 M HA 0.136 4.630 4.480 0.024 0.000 0.239 324 M C 1.041 177.232 176.300 -0.182 0.000 1.121 324 M CA 0.655 55.729 55.300 -0.377 0.000 1.019 324 M CB -0.457 31.793 32.600 -0.585 0.000 1.485 324 M HN 0.359 nan 8.290 nan 0.000 0.484 325 S N -1.201 114.405 115.700 -0.157 0.000 5.292 325 S HA 0.709 5.193 4.470 0.024 0.000 0.140 325 S C 0.671 175.194 174.600 -0.128 0.000 1.134 325 S CA 0.264 58.391 58.200 -0.121 0.000 1.221 325 S CB 0.867 63.994 63.200 -0.121 0.000 2.080 325 S HN 0.474 nan 8.310 nan 0.000 0.736 326 G N -0.200 108.489 108.800 -0.186 0.000 2.408 326 G HA2 0.474 4.449 3.960 0.024 0.000 0.682 326 G HA3 0.474 4.449 3.960 0.024 0.000 0.682 326 G C 0.504 175.340 174.900 -0.106 0.000 1.303 326 G CA 0.242 45.280 45.100 -0.104 0.000 0.966 326 G HN 2.457 nan 8.290 nan 0.000 0.560 327 G N -2.150 106.627 108.800 -0.039 0.000 2.484 327 G HA2 0.117 4.092 3.960 0.024 0.000 0.225 327 G HA3 0.117 4.092 3.960 0.024 0.000 0.225 327 G C 1.137 176.046 174.900 0.015 0.000 1.250 327 G CA 0.944 46.027 45.100 -0.030 0.000 0.926 327 G HN 1.965 nan 8.290 nan 0.000 0.581 328 V N 1.982 121.911 119.914 0.024 0.000 2.332 328 V HA 0.261 4.395 4.120 0.024 0.000 0.248 328 V C 2.631 178.809 176.094 0.141 0.000 1.055 328 V CA 3.497 65.861 62.300 0.108 0.000 1.038 328 V CB -1.448 30.427 31.823 0.087 0.000 0.651 328 V HN 2.785 nan 8.190 nan 0.000 0.450 329 G N -0.531 108.221 108.800 -0.080 0.000 2.512 329 G HA2 -0.240 3.735 3.960 0.024 0.000 0.240 329 G HA3 -0.240 3.735 3.960 0.024 0.000 0.240 329 G C -0.304 174.502 174.900 -0.157 0.000 1.246 329 G CA 0.107 44.981 45.100 -0.377 0.000 0.919 329 G HN 0.237 nan 8.290 nan 0.000 0.577 330 F N 1.522 121.516 119.950 0.072 0.000 2.841 330 F HA 0.383 4.925 4.527 0.025 0.000 0.358 330 F C 2.087 177.919 175.800 0.054 0.000 1.261 330 F CA 0.085 58.170 58.000 0.141 0.000 1.233 330 F CB 0.067 39.195 39.000 0.213 0.000 1.008 330 F HN 0.420 nan 8.300 nan 0.000 0.507 331 T N -0.664 113.951 114.554 0.103 0.000 2.652 331 T HA -0.253 4.111 4.350 0.024 0.000 0.267 331 T C 1.903 176.582 174.700 -0.035 0.000 1.039 331 T CA 1.875 63.981 62.100 0.010 0.000 1.153 331 T CB -0.063 68.798 68.868 -0.012 0.000 0.863 331 T HN 0.363 nan 8.240 nan 0.000 0.428 332 Q N -0.742 119.012 119.800 -0.077 0.000 2.311 332 Q HA 0.013 4.368 4.340 0.024 0.000 0.203 332 Q C 1.927 177.810 176.000 -0.195 0.000 0.954 332 Q CA 0.693 56.363 55.803 -0.223 0.000 0.885 332 Q CB -0.158 28.466 28.738 -0.189 0.000 0.963 332 Q HN 0.549 nan 8.270 nan 0.000 0.471 333 Y N 0.201 120.443 120.300 -0.096 0.000 2.256 333 Y HA -0.215 4.349 4.550 0.024 0.000 0.288 333 Y C 2.214 178.058 175.900 -0.093 0.000 1.155 333 Y CA 1.128 59.161 58.100 -0.112 0.000 1.203 333 Y CB -0.351 38.042 38.460 -0.112 0.000 0.980 333 Y HN 0.156 nan 8.280 nan 0.000 0.530 334 A N -0.754 122.123 122.820 0.095 0.000 1.911 334 A HA -0.082 4.253 4.320 0.024 0.000 0.212 334 A C 2.309 179.741 177.584 -0.253 0.000 1.189 334 A CA 1.504 53.575 52.037 0.056 0.000 0.639 334 A CB -1.192 17.924 19.000 0.193 0.000 0.839 334 A HN 0.433 nan 8.150 nan 0.000 0.449 335 T N -1.539 112.686 114.554 -0.547 0.000 2.849 335 T HA -0.049 4.316 4.350 0.024 0.000 0.270 335 T C 1.843 176.094 174.700 -0.748 0.000 1.066 335 T CA 1.609 63.018 62.100 -1.152 0.000 1.130 335 T CB -0.623 67.667 68.868 -0.962 0.000 0.864 335 T HN 0.594 nan 8.240 nan 0.000 0.481 336 A N 1.742 124.317 122.820 -0.408 0.000 2.032 336 A HA 0.224 4.559 4.320 0.024 0.000 0.221 336 A C 2.637 180.126 177.584 -0.158 0.000 1.165 336 A CA 1.808 53.707 52.037 -0.231 0.000 0.645 336 A CB -1.157 17.760 19.000 -0.138 0.000 0.807 336 A HN 0.858 nan 8.150 nan 0.000 0.453 337 A N -1.792 120.951 122.820 -0.127 0.000 2.238 337 A HA 0.345 4.679 4.320 0.024 0.000 0.210 337 A C 1.166 178.823 177.584 0.121 0.000 1.179 337 A CA 0.914 52.962 52.037 0.019 0.000 0.827 337 A CB -0.295 18.768 19.000 0.105 0.000 0.856 337 A HN 1.114 nan 8.150 nan 0.000 0.488 338 Y N -1.837 118.480 120.300 0.027 0.000 2.779 338 Y HA 0.406 4.970 4.550 0.024 0.000 0.251 338 Y C 0.120 176.040 175.900 0.033 0.000 1.145 338 Y CA -0.367 57.763 58.100 0.049 0.000 1.201 338 Y CB -0.678 37.854 38.460 0.120 0.000 1.281 338 Y HN 0.069 nan 8.280 nan 0.000 0.563 339 T N -3.356 111.157 114.554 -0.069 0.000 2.930 339 T HA 0.480 4.844 4.350 0.024 0.000 0.290 339 T C -0.259 174.457 174.700 0.027 0.000 1.052 339 T CA -0.173 61.920 62.100 -0.012 0.000 1.017 339 T CB 1.794 70.617 68.868 -0.074 0.000 1.137 339 T HN 0.119 nan 8.240 nan 0.000 0.511 340 D N 0.492 120.922 120.400 0.049 0.000 3.079 340 D HA -0.171 4.484 4.640 0.024 0.000 0.214 340 D C 0.250 176.606 176.300 0.093 0.000 1.145 340 D CA 1.223 55.268 54.000 0.075 0.000 0.958 340 D CB -1.581 39.286 40.800 0.111 0.000 1.117 340 D HN 0.808 nan 8.370 nan 0.000 0.416 341 N N -1.177 117.565 118.700 0.071 0.000 2.678 341 N HA -0.247 4.508 4.740 0.024 0.000 0.249 341 N C 1.155 176.724 175.510 0.098 0.000 1.119 341 N CA 1.287 54.393 53.050 0.093 0.000 0.718 341 N CB -1.403 37.143 38.487 0.098 0.000 1.060 341 N HN 0.529 nan 8.380 nan 0.000 0.552 342 I N -0.471 120.087 120.570 -0.019 0.000 2.296 342 I HA -0.165 4.019 4.170 0.024 0.000 0.242 342 I C 2.318 178.119 176.117 -0.526 0.000 1.087 342 I CA 0.504 61.645 61.300 -0.264 0.000 1.393 342 I CB -0.130 37.625 38.000 -0.409 0.000 1.093 342 I HN 0.107 nan 8.210 nan 0.000 0.421 343 L N 1.369 122.404 121.223 -0.314 0.000 2.079 343 L HA -0.238 4.116 4.340 0.024 0.000 0.210 343 L C 1.680 178.548 176.870 -0.002 0.000 1.081 343 L CA 2.079 56.809 54.840 -0.183 0.000 0.752 343 L CB -0.879 41.163 42.059 -0.028 0.000 0.896 343 L HN 0.210 nan 8.230 nan 0.000 0.433 344 D N -0.653 119.784 120.400 0.062 0.000 2.104 344 D HA -0.236 4.418 4.640 0.024 0.000 0.194 344 D C 1.843 178.365 176.300 0.369 0.000 0.994 344 D CA 1.637 55.757 54.000 0.199 0.000 0.830 344 D CB -0.260 40.695 40.800 0.259 0.000 0.959 344 D HN 0.552 nan 8.370 nan 0.000 0.452 345 D N -0.981 119.611 120.400 0.320 0.000 2.104 345 D HA -0.180 4.474 4.640 0.024 0.000 0.194 345 D C 1.575 178.280 176.300 0.676 0.000 0.994 345 D CA 0.931 55.207 54.000 0.459 0.000 0.830 345 D CB -0.006 41.072 40.800 0.463 0.000 0.959 345 D HN 0.016 nan 8.370 nan 0.000 0.452 346 F N 0.511 120.710 119.950 0.415 0.000 2.186 346 F HA -0.045 4.498 4.527 0.027 0.000 0.299 346 F C 2.712 178.707 175.800 0.325 0.000 1.090 346 F CA 1.042 59.297 58.000 0.425 0.000 1.307 346 F CB -1.301 37.872 39.000 0.288 0.000 1.019 346 F HN 0.032 nan 8.300 nan 0.000 0.489 347 T N -1.258 113.551 114.554 0.426 0.000 2.896 347 T HA -0.144 4.220 4.350 0.024 0.000 0.263 347 T C 1.777 176.610 174.700 0.221 0.000 1.050 347 T CA 0.866 63.124 62.100 0.264 0.000 1.140 347 T CB -0.504 68.447 68.868 0.138 0.000 0.877 347 T HN 0.096 nan 8.240 nan 0.000 0.457 348 Y N 0.583 121.034 120.300 0.251 0.000 2.224 348 Y HA -0.009 4.555 4.550 0.023 0.000 0.289 348 Y C 2.045 178.017 175.900 0.120 0.000 1.146 348 Y CA 0.408 58.605 58.100 0.161 0.000 1.182 348 Y CB -0.651 37.887 38.460 0.130 0.000 0.983 348 Y HN 0.232 nan 8.280 nan 0.000 0.524 349 F N 0.186 120.231 119.950 0.159 0.000 2.095 349 F HA -0.126 4.413 4.527 0.020 0.000 0.298 349 F C 2.348 178.146 175.800 -0.003 0.000 1.104 349 F CA 1.897 59.838 58.000 -0.099 0.000 1.232 349 F CB -0.818 37.783 39.000 -0.665 0.000 0.987 349 F HN -0.037 nan 8.300 nan 0.000 0.475 350 G N 0.420 109.272 108.800 0.087 0.000 2.408 350 G HA2 -0.253 3.721 3.960 0.024 0.000 0.217 350 G HA3 -0.253 3.721 3.960 0.024 0.000 0.217 350 G C 1.791 176.768 174.900 0.128 0.000 1.150 350 G CA 0.709 45.842 45.100 0.054 0.000 0.776 350 G HN 0.290 nan 8.290 nan 0.000 0.542 351 K N 0.802 121.324 120.400 0.204 0.000 2.057 351 K HA -0.124 4.211 4.320 0.024 0.000 0.207 351 K C 2.345 178.973 176.600 0.047 0.000 1.049 351 K CA 1.752 58.150 56.287 0.184 0.000 0.931 351 K CB -0.142 32.384 32.500 0.043 0.000 0.714 351 K HN 0.318 nan 8.250 nan 0.000 0.440 352 E N 0.104 120.296 120.200 -0.012 0.000 2.051 352 E HA -0.208 4.156 4.350 0.024 0.000 0.192 352 E C 1.996 178.529 176.600 -0.113 0.000 0.991 352 E CA 1.339 57.699 56.400 -0.067 0.000 0.799 352 E CB -0.705 28.942 29.700 -0.089 0.000 0.748 352 E HN 0.338 nan 8.360 nan 0.000 0.449 353 Y N 0.513 120.593 120.300 -0.367 0.000 2.040 353 Y HA -0.303 4.255 4.550 0.013 0.000 0.275 353 Y C 2.220 178.062 175.900 -0.097 0.000 1.171 353 Y CA 2.412 60.325 58.100 -0.313 0.000 1.123 353 Y CB -0.695 37.494 38.460 -0.452 0.000 0.963 353 Y HN -0.006 nan 8.280 nan 0.000 0.493 354 V N 0.410 120.352 119.914 0.046 0.000 2.287 354 V HA -0.334 3.800 4.120 0.024 0.000 0.248 354 V C 2.340 178.452 176.094 0.030 0.000 1.053 354 V CA 2.323 64.683 62.300 0.101 0.000 1.027 354 V CB -0.805 31.157 31.823 0.232 0.000 0.646 354 V HN 0.486 nan 8.190 nan 0.000 0.447 355 E N 0.028 120.225 120.200 -0.004 0.000 2.085 355 E HA -0.310 4.054 4.350 0.024 0.000 0.194 355 E C 1.931 178.491 176.600 -0.066 0.000 0.994 355 E CA 1.808 58.193 56.400 -0.024 0.000 0.801 355 E CB -0.159 29.519 29.700 -0.035 0.000 0.743 355 E HN 0.742 nan 8.360 nan 0.000 0.453 356 D N -0.166 120.162 120.400 -0.120 0.000 2.097 356 D HA -0.189 4.465 4.640 0.024 0.000 0.195 356 D C 1.999 178.165 176.300 -0.223 0.000 0.989 356 D CA 1.577 55.484 54.000 -0.156 0.000 0.827 356 D CB 0.020 40.722 40.800 -0.164 0.000 0.966 356 D HN 0.051 nan 8.370 nan 0.000 0.456 357 K N -1.742 118.434 120.400 -0.373 0.000 2.044 357 K HA -0.096 4.238 4.320 0.024 0.000 0.204 357 K C 1.441 177.742 176.600 -0.499 0.000 1.049 357 K CA 1.054 57.013 56.287 -0.546 0.000 0.945 357 K CB -0.062 31.869 32.500 -0.948 0.000 0.724 357 K HN 0.240 nan 8.250 nan 0.000 0.440 358 Y N -0.663 119.548 120.300 -0.149 0.000 2.558 358 Y HA 0.329 4.898 4.550 0.032 0.000 0.273 358 Y C 0.610 176.474 175.900 -0.060 0.000 1.100 358 Y CA 0.258 58.308 58.100 -0.083 0.000 1.276 358 Y CB 1.025 39.449 38.460 -0.059 0.000 1.196 358 Y HN 0.247 nan 8.280 nan 0.000 0.527 359 G N 1.245 110.103 108.800 0.097 0.000 3.039 359 G HA2 -0.190 3.785 3.960 0.024 0.000 0.686 359 G HA3 -0.190 3.785 3.960 0.024 0.000 0.686 359 G C -0.702 174.240 174.900 0.069 0.000 1.066 359 G CA -0.868 44.265 45.100 0.056 0.000 0.774 359 G HN 0.173 nan 8.290 nan 0.000 0.591 360 L N 1.508 122.749 121.223 0.031 0.000 2.559 360 L HA 0.117 4.472 4.340 0.024 0.000 0.282 360 L C 2.008 178.889 176.870 0.018 0.000 1.232 360 L CA 0.713 55.567 54.840 0.023 0.000 0.885 360 L CB 0.181 42.225 42.059 -0.025 0.000 1.131 360 L HN 1.448 nan 8.230 nan 0.000 0.498 361 C N 0.870 120.180 119.300 0.016 0.000 4.320 361 C HA -0.161 4.313 4.460 0.024 0.000 0.281 361 C C 1.259 176.239 174.990 -0.017 0.000 1.432 361 C CA 0.625 59.637 59.018 -0.009 0.000 1.884 361 C CB -2.800 24.934 27.740 -0.010 0.000 1.378 361 C HN 0.939 nan 8.230 nan 0.000 0.771 362 E N 0.008 120.205 120.200 -0.006 0.000 2.548 362 E HA 0.436 4.800 4.350 0.024 0.000 0.206 362 E C 0.816 177.410 176.600 -0.010 0.000 1.005 362 E CA 0.508 56.914 56.400 0.010 0.000 0.951 362 E CB 0.571 30.300 29.700 0.049 0.000 1.035 362 E HN 0.783 nan 8.360 nan 0.000 0.470 363 A N 2.688 125.408 122.820 -0.167 0.000 2.304 363 A HA 0.453 4.787 4.320 0.024 0.000 0.301 363 A C -2.442 175.023 177.584 -0.198 0.000 1.132 363 A CA -1.544 50.262 52.037 -0.384 0.000 0.819 363 A CB 0.165 18.549 19.000 -1.028 0.000 1.094 363 A HN -0.147 nan 8.150 nan 0.000 0.492 364 P HA 0.005 nan 4.420 nan 0.000 0.266 364 P C -0.462 176.783 177.300 -0.093 0.000 1.195 364 P CA 0.120 63.175 63.100 -0.075 0.000 0.768 364 P CB 0.280 31.960 31.700 -0.033 0.000 0.838 365 N N 2.943 121.605 118.700 -0.063 0.000 2.968 365 N HA 0.086 4.841 4.740 0.024 0.000 0.271 365 N C -0.754 174.724 175.510 -0.052 0.000 1.174 365 N CA -0.222 52.797 53.050 -0.052 0.000 1.096 365 N CB -1.044 37.422 38.487 -0.035 0.000 1.403 365 N HN 0.383 nan 8.380 nan 0.000 0.522 366 N N 0.894 119.564 118.700 -0.050 0.000 3.039 366 N HA 0.149 4.904 4.740 0.024 0.000 0.257 366 N C 0.279 175.773 175.510 -0.026 0.000 1.497 366 N CA -0.760 52.253 53.050 -0.061 0.000 0.861 366 N CB 0.228 38.680 38.487 -0.058 0.000 1.479 366 N HN -0.015 nan 8.380 nan 0.000 0.547 367 M N 0.177 119.756 119.600 -0.035 0.000 2.279 367 M HA 0.023 4.517 4.480 0.024 0.000 0.264 367 M C 0.267 176.590 176.300 0.039 0.000 1.062 367 M CA 1.717 57.028 55.300 0.019 0.000 1.099 367 M CB -0.720 31.885 32.600 0.008 0.000 1.394 367 M HN 0.571 nan 8.290 nan 0.000 0.426 368 D N -0.698 119.719 120.400 0.029 0.000 2.117 368 D HA -0.137 4.517 4.640 0.024 0.000 0.197 368 D C 1.862 178.206 176.300 0.075 0.000 0.987 368 D CA 2.012 56.046 54.000 0.056 0.000 0.829 368 D CB -0.579 40.255 40.800 0.057 0.000 0.961 368 D HN 0.377 nan 8.370 nan 0.000 0.460 369 T N 0.775 115.351 114.554 0.037 0.000 2.708 369 T HA -0.109 4.255 4.350 0.024 0.000 0.266 369 T C 2.297 177.022 174.700 0.042 0.000 1.037 369 T CA 0.939 63.043 62.100 0.006 0.000 1.146 369 T CB -0.452 68.330 68.868 -0.143 0.000 0.865 369 T HN -0.033 nan 8.240 nan 0.000 0.435 370 V N 1.809 121.750 119.914 0.046 0.000 2.252 370 V HA -0.201 3.933 4.120 0.024 0.000 0.249 370 V C 2.529 178.661 176.094 0.063 0.000 1.056 370 V CA 1.749 64.088 62.300 0.066 0.000 1.022 370 V CB -0.834 31.053 31.823 0.107 0.000 0.641 370 V HN 0.444 nan 8.190 nan 0.000 0.445 371 L N -0.179 121.087 121.223 0.072 0.000 2.046 371 L HA -0.198 4.157 4.340 0.024 0.000 0.208 371 L C 2.485 179.392 176.870 0.062 0.000 1.077 371 L CA 2.062 56.939 54.840 0.061 0.000 0.747 371 L CB -0.811 41.290 42.059 0.071 0.000 0.896 371 L HN 0.481 nan 8.230 nan 0.000 0.432 372 D N 0.274 120.742 120.400 0.113 0.000 2.077 372 D HA -0.158 4.497 4.640 0.024 0.000 0.193 372 D C 2.098 178.494 176.300 0.160 0.000 0.989 372 D CA 1.866 55.971 54.000 0.176 0.000 0.831 372 D CB 0.262 41.237 40.800 0.291 0.000 0.979 372 D HN 0.107 nan 8.370 nan 0.000 0.449 373 V N 1.553 121.582 119.914 0.191 0.000 2.323 373 V HA -0.149 3.986 4.120 0.024 0.000 0.244 373 V C 2.719 178.827 176.094 0.022 0.000 1.041 373 V CA 1.774 64.182 62.300 0.180 0.000 1.025 373 V CB -0.865 31.082 31.823 0.206 0.000 0.656 373 V HN 0.298 nan 8.190 nan 0.000 0.451 374 A N -0.121 122.695 122.820 -0.007 0.000 1.930 374 A HA -0.185 4.150 4.320 0.024 0.000 0.217 374 A C 2.386 179.869 177.584 -0.168 0.000 1.175 374 A CA 2.348 54.345 52.037 -0.067 0.000 0.627 374 A CB -0.890 18.079 19.000 -0.053 0.000 0.815 374 A HN 0.505 nan 8.150 nan 0.000 0.443 375 T N -0.396 114.035 114.554 -0.205 0.000 2.674 375 T HA -0.136 4.229 4.350 0.024 0.000 0.265 375 T C 1.917 176.302 174.700 -0.526 0.000 1.039 375 T CA 1.703 63.524 62.100 -0.465 0.000 1.150 375 T CB -0.249 68.412 68.868 -0.345 0.000 0.864 375 T HN 0.623 nan 8.240 nan 0.000 0.427 376 E N 0.923 120.974 120.200 -0.248 0.000 2.058 376 E HA -0.121 4.244 4.350 0.024 0.000 0.194 376 E C 2.099 178.674 176.600 -0.042 0.000 0.997 376 E CA 1.170 57.477 56.400 -0.155 0.000 0.801 376 E CB -0.581 28.847 29.700 -0.453 0.000 0.746 376 E HN 0.281 nan 8.360 nan 0.000 0.450 377 V N 0.141 120.032 119.914 -0.038 0.000 2.358 377 V HA -0.242 3.892 4.120 0.024 0.000 0.246 377 V C 2.334 178.407 176.094 -0.035 0.000 1.047 377 V CA 2.100 64.454 62.300 0.090 0.000 1.035 377 V CB -0.926 30.963 31.823 0.110 0.000 0.658 377 V HN 0.347 nan 8.190 nan 0.000 0.452 378 T N 0.494 114.953 114.554 -0.158 0.000 2.684 378 T HA -0.180 4.184 4.350 0.024 0.000 0.267 378 T C 1.717 176.334 174.700 -0.138 0.000 1.036 378 T CA 1.866 63.839 62.100 -0.212 0.000 1.148 378 T CB -0.392 68.286 68.868 -0.317 0.000 0.863 378 T HN 0.315 nan 8.240 nan 0.000 0.436 379 F N 0.243 120.108 119.950 -0.142 0.000 2.186 379 F HA 0.065 4.601 4.527 0.015 0.000 0.299 379 F C 2.158 177.811 175.800 -0.245 0.000 1.090 379 F CA -0.263 57.634 58.000 -0.173 0.000 1.307 379 F CB -1.324 37.613 39.000 -0.106 0.000 1.019 379 F HN 0.200 nan 8.300 nan 0.000 0.489 380 Y N 0.742 120.910 120.300 -0.220 0.000 2.097 380 Y HA -0.150 4.414 4.550 0.023 0.000 0.282 380 Y C 2.589 178.107 175.900 -0.637 0.000 1.152 380 Y CA 1.845 59.628 58.100 -0.528 0.000 1.136 380 Y CB -0.914 36.923 38.460 -1.039 0.000 0.975 380 Y HN 0.017 nan 8.280 nan 0.000 0.498 381 G N 0.431 108.781 108.800 -0.749 0.000 2.459 381 G HA2 -0.267 3.708 3.960 0.024 0.000 0.217 381 G HA3 -0.267 3.708 3.960 0.024 0.000 0.217 381 G C 1.698 176.092 174.900 -0.842 0.000 1.183 381 G CA 1.330 45.532 45.100 -1.497 0.000 0.776 381 G HN 0.466 nan 8.290 nan 0.000 0.552 382 L N 0.147 121.141 121.223 -0.381 0.000 2.079 382 L HA -0.079 4.275 4.340 0.024 0.000 0.210 382 L C 2.739 179.554 176.870 -0.092 0.000 1.081 382 L CA 1.514 56.289 54.840 -0.108 0.000 0.752 382 L CB -0.351 41.573 42.059 -0.225 0.000 0.896 382 L HN 0.359 nan 8.230 nan 0.000 0.433 383 E N -0.493 119.556 120.200 -0.252 0.000 2.204 383 E HA -0.210 4.154 4.350 0.024 0.000 0.194 383 E C 2.153 178.619 176.600 -0.225 0.000 0.989 383 E CA 0.611 56.881 56.400 -0.217 0.000 0.824 383 E CB 0.257 29.803 29.700 -0.256 0.000 0.756 383 E HN 0.427 nan 8.360 nan 0.000 0.477 384 Q N -0.578 119.000 119.800 -0.369 0.000 2.123 384 Q HA -0.148 4.207 4.340 0.024 0.000 0.199 384 Q C 1.727 177.692 176.000 -0.059 0.000 0.966 384 Q CA 1.156 56.868 55.803 -0.153 0.000 0.845 384 Q CB -0.458 28.159 28.738 -0.201 0.000 0.907 384 Q HN 0.481 nan 8.270 nan 0.000 0.439 385 Y N 1.420 121.716 120.300 -0.008 0.000 2.293 385 Y HA -0.103 4.461 4.550 0.023 0.000 0.291 385 Y C 2.125 178.025 175.900 -0.000 0.000 1.137 385 Y CA 0.964 59.076 58.100 0.019 0.000 1.202 385 Y CB -0.066 38.408 38.460 0.024 0.000 0.990 385 Y HN 0.238 nan 8.280 nan 0.000 0.537 386 E N -0.283 119.993 120.200 0.127 0.000 2.107 386 E HA -0.136 4.229 4.350 0.024 0.000 0.191 386 E C 1.836 178.410 176.600 -0.043 0.000 0.982 386 E CA 0.919 57.337 56.400 0.030 0.000 0.809 386 E CB 0.005 29.715 29.700 0.017 0.000 0.756 386 E HN 0.426 nan 8.360 nan 0.000 0.459 387 E N -0.130 120.008 120.200 -0.102 0.000 2.299 387 E HA -0.040 4.324 4.350 0.024 0.000 0.193 387 E C -0.233 176.099 176.600 -0.448 0.000 0.998 387 E CA 0.636 56.852 56.400 -0.307 0.000 0.851 387 E CB 0.345 29.768 29.700 -0.461 0.000 0.795 387 E HN 0.292 nan 8.360 nan 0.000 0.492 388 Y N -0.185 120.132 120.300 0.028 0.000 2.749 388 Y HA 0.253 4.817 4.550 0.023 0.000 0.343 388 Y C -1.856 174.068 175.900 0.040 0.000 1.015 388 Y CA -2.416 55.717 58.100 0.055 0.000 1.270 388 Y CB 1.622 40.145 38.460 0.104 0.000 1.097 388 Y HN -0.072 nan 8.280 nan 0.000 0.571 389 P HA -0.239 nan 4.420 nan 0.000 0.218 389 P C 1.370 178.703 177.300 0.054 0.000 1.146 389 P CA 1.963 65.100 63.100 0.061 0.000 0.813 389 P CB 0.439 32.136 31.700 -0.004 0.000 0.778 390 A N -0.856 122.016 122.820 0.087 0.000 1.969 390 A HA -0.154 4.180 4.320 0.024 0.000 0.218 390 A C 2.054 179.777 177.584 0.233 0.000 1.169 390 A CA 1.175 53.252 52.037 0.068 0.000 0.635 390 A CB -1.507 17.626 19.000 0.222 0.000 0.810 390 A HN 0.167 nan 8.150 nan 0.000 0.445 391 L N -0.863 120.480 121.223 0.200 0.000 2.093 391 L HA -0.066 4.288 4.340 0.024 0.000 0.208 391 L C 2.165 179.201 176.870 0.278 0.000 1.085 391 L CA 1.787 56.702 54.840 0.126 0.000 0.755 391 L CB -0.476 41.502 42.059 -0.137 0.000 0.904 391 L HN 0.350 nan 8.230 nan 0.000 0.435 392 L N -0.421 120.969 121.223 0.278 0.000 2.109 392 L HA -0.132 4.223 4.340 0.024 0.000 0.207 392 L C 2.424 179.390 176.870 0.160 0.000 1.086 392 L CA 1.950 56.920 54.840 0.216 0.000 0.760 392 L CB -0.659 41.474 42.059 0.124 0.000 0.910 392 L HN 0.543 nan 8.230 nan 0.000 0.437 393 E N -1.172 119.124 120.200 0.160 0.000 2.216 393 E HA -0.230 4.134 4.350 0.024 0.000 0.192 393 E C 1.727 178.532 176.600 0.342 0.000 0.988 393 E CA 0.941 57.450 56.400 0.181 0.000 0.834 393 E CB -0.065 29.655 29.700 0.032 0.000 0.772 393 E HN 0.591 nan 8.360 nan 0.000 0.479 394 D N 0.748 121.366 120.400 0.363 0.000 2.077 394 D HA -0.147 4.508 4.640 0.024 0.000 0.196 394 D C 0.472 176.963 176.300 0.319 0.000 0.986 394 D CA 1.121 55.347 54.000 0.377 0.000 0.829 394 D CB 0.038 41.022 40.800 0.306 0.000 0.983 394 D HN 0.157 nan 8.370 nan 0.000 0.453 395 Q N 0.427 120.345 119.800 0.196 0.000 2.963 395 Q HA 0.154 4.508 4.340 0.024 0.000 0.262 395 Q C 0.234 176.175 176.000 -0.098 0.000 1.318 395 Q CA -0.428 55.377 55.803 0.004 0.000 1.089 395 Q CB 0.021 28.795 28.738 0.060 0.000 1.424 395 Q HN 0.456 nan 8.270 nan 0.000 0.560 396 F N -1.229 118.733 119.950 0.020 0.000 2.456 396 F HA 0.231 4.772 4.527 0.024 0.000 0.298 396 F C 0.993 176.763 175.800 -0.050 0.000 1.104 396 F CA -0.478 57.513 58.000 -0.015 0.000 1.435 396 F CB -0.087 38.919 39.000 0.010 0.000 1.078 396 F HN 0.117 nan 8.300 nan 0.000 0.546 397 G N 0.299 108.854 108.800 -0.409 0.000 2.356 397 G HA2 0.415 4.389 3.960 0.024 0.000 0.298 397 G HA3 0.415 4.389 3.960 0.024 0.000 0.298 397 G C 0.956 175.763 174.900 -0.156 0.000 1.145 397 G CA -0.262 44.729 45.100 -0.182 0.000 0.850 397 G HN 0.358 nan 8.290 nan 0.000 0.487 398 G N 1.461 110.203 108.800 -0.097 0.000 2.442 398 G HA2 -0.103 3.871 3.960 0.024 0.000 0.219 398 G HA3 -0.103 3.871 3.960 0.024 0.000 0.219 398 G C 1.301 176.026 174.900 -0.291 0.000 1.141 398 G CA 1.087 46.088 45.100 -0.165 0.000 0.763 398 G HN 0.664 nan 8.290 nan 0.000 0.554 402 A N 1.540 124.318 122.820 -0.071 0.000 1.902 402 A HA 0.016 4.351 4.320 0.024 0.000 0.217 402 A C 2.194 179.641 177.584 -0.229 0.000 1.181 402 A CA 2.062 53.973 52.037 -0.210 0.000 0.623 402 A CB -0.482 18.139 19.000 -0.632 0.000 0.818 402 A HN 0.362 nan 8.150 nan 0.000 0.443 403 A N -0.729 121.999 122.820 -0.155 0.000 1.898 403 A HA 0.058 4.392 4.320 0.024 0.000 0.216 403 A C 2.236 179.831 177.584 0.018 0.000 1.181 403 A CA 1.692 53.694 52.037 -0.059 0.000 0.620 403 A CB -0.818 18.234 19.000 0.086 0.000 0.819 403 A HN 0.353 nan 8.150 nan 0.000 0.442 404 V N -0.502 119.456 119.914 0.074 0.000 2.307 404 V HA -0.201 3.933 4.120 0.024 0.000 0.245 404 V C 2.580 178.819 176.094 0.241 0.000 1.045 404 V CA 1.956 64.346 62.300 0.151 0.000 1.024 404 V CB -0.682 31.231 31.823 0.150 0.000 0.651 404 V HN 0.358 nan 8.190 nan 0.000 0.449 405 V N 0.309 120.379 119.914 0.260 0.000 2.358 405 V HA -0.230 3.905 4.120 0.024 0.000 0.246 405 V C 2.695 178.809 176.094 0.033 0.000 1.047 405 V CA 1.996 64.429 62.300 0.222 0.000 1.035 405 V CB -1.085 30.814 31.823 0.125 0.000 0.658 405 V HN 0.553 nan 8.190 nan 0.000 0.452 406 A N -0.095 122.616 122.820 -0.181 0.000 1.933 406 A HA -0.084 4.250 4.320 0.024 0.000 0.218 406 A C 2.402 179.973 177.584 -0.022 0.000 1.175 406 A CA 1.962 53.742 52.037 -0.428 0.000 0.628 406 A CB -0.676 17.468 19.000 -1.426 0.000 0.814 406 A HN 0.563 nan 8.150 nan 0.000 0.444 407 A N -0.127 122.798 122.820 0.175 0.000 1.898 407 A HA 0.188 4.523 4.320 0.024 0.000 0.216 407 A C 2.485 180.161 177.584 0.153 0.000 1.181 407 A CA 1.950 54.175 52.037 0.314 0.000 0.620 407 A CB -0.936 18.224 19.000 0.266 0.000 0.819 407 A HN 1.008 nan 8.150 nan 0.000 0.442 408 A N -0.157 122.761 122.820 0.163 0.000 1.898 408 A HA 0.193 4.527 4.320 0.024 0.000 0.216 408 A C 2.489 180.120 177.584 0.078 0.000 1.181 408 A CA 1.986 54.120 52.037 0.163 0.000 0.620 408 A CB -0.948 18.248 19.000 0.327 0.000 0.819 408 A HN 0.997 nan 8.150 nan 0.000 0.442 409 A N -0.464 122.389 122.820 0.054 0.000 1.873 409 A HA 0.153 4.487 4.320 0.024 0.000 0.215 409 A C 2.401 179.972 177.584 -0.021 0.000 1.186 409 A CA 1.914 53.950 52.037 -0.000 0.000 0.616 409 A CB -1.350 17.619 19.000 -0.052 0.000 0.823 409 A HN 0.675 nan 8.150 nan 0.000 0.442 410 G N -0.902 107.910 108.800 0.019 0.000 2.414 410 G HA2 -0.235 3.740 3.960 0.024 0.000 0.215 410 G HA3 -0.235 3.740 3.960 0.024 0.000 0.215 410 G C 1.617 176.431 174.900 -0.144 0.000 1.188 410 G CA 1.275 46.375 45.100 -0.001 0.000 0.783 410 G HN 0.509 nan 8.290 nan 0.000 0.537 411 C N 0.786 119.958 119.300 -0.213 0.000 2.413 411 C HA -0.037 4.437 4.460 0.024 0.000 0.276 411 C C 3.424 177.869 174.990 -0.908 0.000 1.236 411 C CA 1.377 60.078 59.018 -0.529 0.000 1.735 411 C CB -0.922 26.517 27.740 -0.500 0.000 2.031 411 C HN 0.412 nan 8.230 nan 0.000 0.474 412 S N 0.349 115.735 115.700 -0.524 0.000 2.370 412 S HA -0.179 4.305 4.470 0.024 0.000 0.226 412 S C 1.869 176.392 174.600 -0.127 0.000 1.033 412 S CA 2.048 60.088 58.200 -0.268 0.000 1.011 412 S CB -0.595 62.622 63.200 0.029 0.000 0.852 412 S HN 0.725 nan 8.310 nan 0.000 0.457 413 T N 2.339 116.827 114.554 -0.110 0.000 2.708 413 T HA -0.066 4.299 4.350 0.024 0.000 0.266 413 T C 2.118 176.767 174.700 -0.085 0.000 1.037 413 T CA 1.301 63.368 62.100 -0.054 0.000 1.146 413 T CB -0.491 68.358 68.868 -0.032 0.000 0.865 413 T HN 0.479 nan 8.240 nan 0.000 0.435 414 A N 0.909 123.632 122.820 -0.162 0.000 2.015 414 A HA 0.038 4.372 4.320 0.024 0.000 0.219 414 A C 1.864 179.433 177.584 -0.026 0.000 1.163 414 A CA 1.025 52.986 52.037 -0.128 0.000 0.646 414 A CB -0.846 18.048 19.000 -0.177 0.000 0.806 414 A HN 0.421 nan 8.150 nan 0.000 0.448 415 F N 0.244 120.174 119.950 -0.033 0.000 2.216 415 F HA -0.085 4.455 4.527 0.022 0.000 0.300 415 F C 2.688 178.460 175.800 -0.046 0.000 1.085 415 F CA 0.328 58.309 58.000 -0.032 0.000 1.326 415 F CB -1.051 37.945 39.000 -0.007 0.000 1.027 415 F HN 0.287 nan 8.300 nan 0.000 0.497 416 A N -0.288 122.597 122.820 0.108 0.000 1.898 416 A HA -0.116 4.219 4.320 0.024 0.000 0.214 416 A C 2.212 179.727 177.584 -0.114 0.000 1.183 416 A CA 2.052 54.061 52.037 -0.047 0.000 0.622 416 A CB -1.170 17.723 19.000 -0.178 0.000 0.824 416 A HN 0.387 nan 8.150 nan 0.000 0.444 417 T N -4.648 109.852 114.554 -0.090 0.000 3.057 417 T HA 0.378 4.743 4.350 0.024 0.000 0.254 417 T C 1.432 176.093 174.700 -0.065 0.000 1.094 417 T CA 1.130 63.173 62.100 -0.095 0.000 1.088 417 T CB -0.067 68.757 68.868 -0.073 0.000 0.934 417 T HN 1.664 nan 8.240 nan 0.000 0.497 418 G N 1.770 110.539 108.800 -0.051 0.000 2.203 418 G HA2 -0.266 3.708 3.960 0.024 0.000 0.263 418 G HA3 -0.266 3.708 3.960 0.024 0.000 0.263 418 G C -0.102 174.724 174.900 -0.123 0.000 1.012 418 G CA 0.313 45.366 45.100 -0.079 0.000 0.749 418 G HN 0.815 nan 8.290 nan 0.000 0.512 419 N N -0.687 117.954 118.700 -0.097 0.000 2.310 419 N HA 0.561 5.315 4.740 0.024 0.000 0.292 419 N C 1.093 176.558 175.510 -0.075 0.000 1.049 419 N CA 0.216 53.216 53.050 -0.083 0.000 0.849 419 N CB 1.579 40.052 38.487 -0.023 0.000 1.532 419 N HN 0.279 nan 8.380 nan 0.000 0.479 420 A N 2.776 125.547 122.820 -0.083 0.000 2.015 420 A HA -0.151 4.184 4.320 0.024 0.000 0.219 420 A C 1.795 179.329 177.584 -0.084 0.000 1.163 420 A CA 1.402 53.390 52.037 -0.081 0.000 0.646 420 A CB -0.178 18.790 19.000 -0.053 0.000 0.806 420 A HN 0.728 nan 8.150 nan 0.000 0.448 421 Q N -0.177 119.599 119.800 -0.041 0.000 2.123 421 Q HA -0.097 4.257 4.340 0.024 0.000 0.199 421 Q C 2.196 178.184 176.000 -0.021 0.000 0.966 421 Q CA 2.265 58.026 55.803 -0.070 0.000 0.845 421 Q CB -0.512 28.256 28.738 0.050 0.000 0.907 421 Q HN 0.775 nan 8.270 nan 0.000 0.439 422 T N -3.119 111.512 114.554 0.127 0.000 2.904 422 T HA -0.024 4.340 4.350 0.024 0.000 0.267 422 T C 1.874 176.600 174.700 0.043 0.000 1.059 422 T CA 0.885 63.089 62.100 0.172 0.000 1.137 422 T CB -0.814 68.138 68.868 0.140 0.000 0.879 422 T HN 0.337 nan 8.240 nan 0.000 0.467 423 G N 1.875 110.657 108.800 -0.029 0.000 2.476 423 G HA2 -0.184 3.791 3.960 0.024 0.000 0.218 423 G HA3 -0.184 3.791 3.960 0.024 0.000 0.218 423 G C 1.432 176.290 174.900 -0.071 0.000 1.164 423 G CA 1.094 46.152 45.100 -0.070 0.000 0.768 423 G HN 0.463 nan 8.290 nan 0.000 0.560 424 L N 0.869 122.014 121.223 -0.130 0.000 2.046 424 L HA 0.044 4.398 4.340 0.024 0.000 0.208 424 L C 2.908 179.717 176.870 -0.100 0.000 1.077 424 L CA 2.420 57.136 54.840 -0.206 0.000 0.747 424 L CB -0.809 41.077 42.059 -0.289 0.000 0.896 424 L HN 0.228 nan 8.230 nan 0.000 0.432 425 S N -0.653 115.027 115.700 -0.033 0.000 2.383 425 S HA -0.157 4.328 4.470 0.024 0.000 0.229 425 S C 2.023 176.691 174.600 0.114 0.000 1.030 425 S CA 1.313 59.584 58.200 0.120 0.000 1.002 425 S CB -0.818 62.521 63.200 0.231 0.000 0.829 425 S HN 0.686 nan 8.310 nan 0.000 0.467 426 G N 1.015 109.851 108.800 0.060 0.000 2.418 426 G HA2 -0.234 3.740 3.960 0.024 0.000 0.217 426 G HA3 -0.234 3.740 3.960 0.024 0.000 0.217 426 G C 1.314 176.208 174.900 -0.009 0.000 1.158 426 G CA 0.875 45.989 45.100 0.024 0.000 0.771 426 G HN 0.666 nan 8.290 nan 0.000 0.545 427 W N 0.962 122.120 121.300 -0.237 0.000 2.302 427 W HA -0.233 4.441 4.660 0.024 0.000 0.320 427 W C 2.084 178.373 176.519 -0.384 0.000 1.241 427 W CA 1.767 58.914 57.345 -0.330 0.000 1.264 427 W CB -0.729 28.469 29.460 -0.436 0.000 1.154 427 W HN 0.350 nan 8.180 nan 0.000 0.483 428 Y N 0.535 120.873 120.300 0.064 0.000 2.200 428 Y HA -0.225 4.339 4.550 0.023 0.000 0.290 428 Y C 2.594 178.072 175.900 -0.704 0.000 1.137 428 Y CA 1.711 59.631 58.100 -0.300 0.000 1.163 428 Y CB -1.663 36.717 38.460 -0.133 0.000 0.988 428 Y HN -0.046 nan 8.280 nan 0.000 0.518 429 L N -0.660 120.451 121.223 -0.187 0.000 2.042 429 L HA -0.199 4.156 4.340 0.024 0.000 0.210 429 L C 2.580 179.341 176.870 -0.181 0.000 1.076 429 L CA 2.062 56.837 54.840 -0.109 0.000 0.749 429 L CB -1.203 40.869 42.059 0.022 0.000 0.893 429 L HN 0.204 nan 8.230 nan 0.000 0.432 430 S N -0.995 114.565 115.700 -0.233 0.000 2.365 430 S HA -0.244 4.240 4.470 0.024 0.000 0.225 430 S C 2.086 176.558 174.600 -0.214 0.000 1.039 430 S CA 1.904 59.961 58.200 -0.238 0.000 1.033 430 S CB -0.222 62.810 63.200 -0.280 0.000 0.887 430 S HN 0.481 nan 8.310 nan 0.000 0.447 431 M N 0.229 119.613 119.600 -0.361 0.000 2.106 431 M HA -0.098 4.396 4.480 0.024 0.000 0.259 431 M C 2.017 178.298 176.300 -0.032 0.000 1.068 431 M CA 1.577 56.728 55.300 -0.249 0.000 1.100 431 M CB -1.850 30.571 32.600 -0.299 0.000 1.351 431 M HN 0.441 nan 8.290 nan 0.000 0.404 432 Y N 0.428 120.743 120.300 0.025 0.000 2.200 432 Y HA -0.067 4.496 4.550 0.022 0.000 0.290 432 Y C 2.476 178.399 175.900 0.039 0.000 1.137 432 Y CA 0.639 58.762 58.100 0.039 0.000 1.163 432 Y CB -1.515 36.976 38.460 0.052 0.000 0.988 432 Y HN 0.152 nan 8.280 nan 0.000 0.518 433 L N -0.955 120.368 121.223 0.166 0.000 1.989 433 L HA -0.281 4.073 4.340 0.024 0.000 0.211 433 L C 2.504 179.452 176.870 0.130 0.000 1.071 433 L CA 2.084 56.993 54.840 0.116 0.000 0.749 433 L CB -0.912 41.139 42.059 -0.013 0.000 0.890 433 L HN 0.319 nan 8.230 nan 0.000 0.431 434 H N 0.424 119.470 119.070 -0.040 0.000 2.289 434 H HA -0.267 4.304 4.556 0.024 0.000 0.296 434 H C 2.478 177.775 175.328 -0.051 0.000 1.091 434 H CA 2.055 58.049 56.048 -0.090 0.000 1.274 434 H CB 0.179 29.869 29.762 -0.120 0.000 1.364 434 H HN 0.152 nan 8.280 nan 0.000 0.490 435 K N 0.075 120.562 120.400 0.145 0.000 2.063 435 K HA -0.178 4.157 4.320 0.024 0.000 0.208 435 K C 1.987 178.649 176.600 0.102 0.000 1.048 435 K CA 1.862 58.199 56.287 0.083 0.000 0.928 435 K CB 0.132 32.685 32.500 0.087 0.000 0.713 435 K HN 0.343 nan 8.250 nan 0.000 0.442 436 E N 0.538 120.802 120.200 0.107 0.000 2.152 436 E HA -0.198 4.166 4.350 0.024 0.000 0.192 436 E C 1.963 178.606 176.600 0.071 0.000 0.983 436 E CA 0.968 57.419 56.400 0.084 0.000 0.818 436 E CB -0.107 29.645 29.700 0.086 0.000 0.758 436 E HN 0.498 nan 8.360 nan 0.000 0.467 437 Q N 0.076 119.905 119.800 0.048 0.000 2.050 437 Q HA -0.145 4.209 4.340 0.024 0.000 0.202 437 Q C 1.135 177.161 176.000 0.042 0.000 0.980 437 Q CA 1.543 57.321 55.803 -0.041 0.000 0.840 437 Q CB -0.022 28.584 28.738 -0.220 0.000 0.898 437 Q HN 0.479 nan 8.270 nan 0.000 0.424 438 H N -1.652 117.471 119.070 0.087 0.000 2.652 438 H HA 0.247 4.819 4.556 0.025 0.000 0.274 438 H C 0.133 175.487 175.328 0.043 0.000 1.021 438 H CA 0.140 56.223 56.048 0.058 0.000 1.187 438 H CB 0.963 30.769 29.762 0.073 0.000 1.505 438 H HN 0.166 nan 8.280 nan 0.000 0.530 439 S N 0.718 116.507 115.700 0.149 0.000 3.587 439 S HA -0.211 4.273 4.470 0.024 0.000 0.337 439 S C 0.095 174.732 174.600 0.062 0.000 1.119 439 S CA 1.060 59.309 58.200 0.082 0.000 0.976 439 S CB -0.891 62.342 63.200 0.056 0.000 0.922 439 S HN 0.791 nan 8.310 nan 0.000 0.503 440 R N -1.863 118.682 120.500 0.075 0.000 2.728 440 R HA 0.795 5.150 4.340 0.024 0.000 0.274 440 R C -0.456 175.813 176.300 -0.051 0.000 1.030 440 R CA -0.884 55.222 56.100 0.011 0.000 0.876 440 R CB 0.310 30.617 30.300 0.011 0.000 1.259 440 R HN 0.222 nan 8.270 nan 0.000 0.468 441 L N -1.243 119.892 121.223 -0.146 0.000 3.912 441 L HA 0.645 4.999 4.340 0.024 0.000 0.199 441 L C 0.182 176.818 176.870 -0.390 0.000 1.172 441 L CA 1.003 55.629 54.840 -0.357 0.000 1.013 441 L CB 0.618 42.537 42.059 -0.233 0.000 1.692 441 L HN 0.884 nan 8.230 nan 0.000 0.705 442 G N -1.096 107.494 108.800 -0.351 0.000 3.122 442 G HA2 0.372 4.346 3.960 0.024 0.000 0.180 442 G HA3 0.372 4.346 3.960 0.024 0.000 0.180 442 G C -0.683 174.168 174.900 -0.081 0.000 1.279 442 G CA -0.050 44.794 45.100 -0.426 0.000 0.987 442 G HN 0.441 nan 8.290 nan 0.000 0.589 443 F N -0.813 119.156 119.950 0.033 0.000 2.472 443 F HA 0.575 5.117 4.527 0.024 0.000 0.312 443 F C 0.648 176.584 175.800 0.226 0.000 1.256 443 F CA -1.610 56.478 58.000 0.147 0.000 1.275 443 F CB 0.056 39.175 39.000 0.199 0.000 1.228 443 F HN 0.463 nan 8.300 nan 0.000 0.567 447 D N 2.585 122.941 120.400 -0.073 0.000 2.722 447 D HA 0.081 4.735 4.640 0.024 0.000 0.239 447 D C 1.583 177.879 176.300 -0.008 0.000 1.249 447 D CA 0.161 54.168 54.000 0.013 0.000 0.830 447 D CB 0.120 41.022 40.800 0.170 0.000 1.025 447 D HN 0.608 nan 8.370 nan 0.000 0.486 448 L N 0.799 121.972 121.223 -0.083 0.000 1.989 448 L HA -0.280 4.075 4.340 0.024 0.000 0.211 448 L C 2.468 179.329 176.870 -0.015 0.000 1.071 448 L CA 1.894 56.706 54.840 -0.046 0.000 0.749 448 L CB -0.244 41.779 42.059 -0.059 0.000 0.890 448 L HN 0.071 nan 8.230 nan 0.000 0.431 449 Q N -1.184 118.598 119.800 -0.030 0.000 2.311 449 Q HA -0.162 4.193 4.340 0.024 0.000 0.203 449 Q C 1.310 177.389 176.000 0.131 0.000 0.954 449 Q CA 1.420 57.278 55.803 0.091 0.000 0.885 449 Q CB -0.507 28.364 28.738 0.221 0.000 0.963 449 Q HN 0.593 nan 8.270 nan 0.000 0.471 450 D N 0.946 121.459 120.400 0.190 0.000 2.264 450 D HA -0.093 4.561 4.640 0.024 0.000 0.208 450 D C 0.708 177.156 176.300 0.247 0.000 0.966 450 D CA 0.842 55.030 54.000 0.313 0.000 0.864 450 D CB 0.113 41.181 40.800 0.446 0.000 0.933 450 D HN 0.170 nan 8.370 nan 0.000 0.499 454 A N 1.583 124.273 122.820 -0.216 0.000 1.892 454 A HA -0.028 4.306 4.320 0.024 0.000 0.218 454 A C 2.722 180.333 177.584 0.045 0.000 1.188 454 A CA 3.673 55.764 52.037 0.090 0.000 0.631 454 A CB -0.997 18.188 19.000 0.308 0.000 0.822 454 A HN 1.395 nan 8.150 nan 0.000 0.447 455 S N -0.128 115.580 115.700 0.013 0.000 2.402 455 S HA -0.135 4.350 4.470 0.024 0.000 0.229 455 S C 1.503 176.109 174.600 0.011 0.000 1.021 455 S CA 1.389 59.607 58.200 0.030 0.000 0.974 455 S CB -0.545 62.661 63.200 0.009 0.000 0.800 455 S HN 0.530 nan 8.310 nan 0.000 0.484 456 N N 1.076 119.748 118.700 -0.046 0.000 2.467 456 N HA 0.184 4.938 4.740 0.024 0.000 0.184 456 N C 1.461 176.920 175.510 -0.085 0.000 1.106 456 N CA 0.409 53.440 53.050 -0.032 0.000 0.892 456 N CB -0.236 38.252 38.487 0.002 0.000 0.969 456 N HN 0.315 nan 8.380 nan 0.000 0.454 457 V N -0.049 119.763 119.914 -0.171 0.000 2.343 457 V HA -0.172 3.963 4.120 0.024 0.000 0.247 457 V C 1.001 176.769 176.094 -0.543 0.000 1.051 457 V CA 1.534 63.578 62.300 -0.426 0.000 1.036 457 V CB -0.409 30.982 31.823 -0.720 0.000 0.654 457 V HN 0.166 nan 8.190 nan 0.000 0.451 458 F N -0.747 119.217 119.950 0.024 0.000 2.661 458 F HA 0.383 4.924 4.527 0.024 0.000 0.306 458 F C 1.298 177.102 175.800 0.007 0.000 1.094 458 F CA -0.284 57.723 58.000 0.011 0.000 1.254 458 F CB -0.173 38.837 39.000 0.017 0.000 1.040 458 F HN -0.055 nan 8.300 nan 0.000 0.562 459 S N 1.296 117.059 115.700 0.106 0.000 2.573 459 S HA 0.148 4.633 4.470 0.024 0.000 0.277 459 S C 1.033 175.668 174.600 0.058 0.000 1.346 459 S CA -0.247 57.996 58.200 0.072 0.000 1.034 459 S CB 0.412 63.633 63.200 0.036 0.000 0.879 459 S HN 0.306 nan 8.310 nan 0.000 0.528 460 I N 1.199 121.796 120.570 0.045 0.000 4.025 460 I HA 0.436 4.621 4.170 0.024 0.000 0.336 460 I C 0.647 176.772 176.117 0.014 0.000 1.390 460 I CA -0.251 61.068 61.300 0.031 0.000 1.099 460 I CB -0.296 37.724 38.000 0.033 0.000 1.049 460 I HN 0.337 nan 8.210 nan 0.000 0.394 461 R N 1.058 121.561 120.500 0.006 0.000 2.577 461 R HA 0.450 4.805 4.340 0.024 0.000 0.269 461 R C 1.526 177.813 176.300 -0.021 0.000 1.084 461 R CA 0.186 56.281 56.100 -0.009 0.000 1.163 461 R CB 0.333 30.623 30.300 -0.016 0.000 1.100 461 R HN 0.250 nan 8.270 nan 0.000 0.547 462 G N 1.270 110.053 108.800 -0.029 0.000 2.553 462 G HA2 -0.324 3.651 3.960 0.024 0.000 0.218 462 G HA3 -0.324 3.651 3.960 0.024 0.000 0.218 462 G C 0.701 175.566 174.900 -0.059 0.000 1.195 462 G CA 1.485 46.562 45.100 -0.037 0.000 0.779 462 G HN 0.792 nan 8.290 nan 0.000 0.577 463 D N -0.529 119.817 120.400 -0.091 0.000 2.427 463 D HA 0.172 4.826 4.640 0.024 0.000 0.224 463 D C 1.354 177.522 176.300 -0.220 0.000 1.157 463 D CA 0.086 53.992 54.000 -0.158 0.000 0.828 463 D CB 0.194 40.883 40.800 -0.184 0.000 0.974 463 D HN 0.503 nan 8.370 nan 0.000 0.498 464 E N -0.215 119.925 120.200 -0.101 0.000 2.354 464 E HA 0.210 4.575 4.350 0.024 0.000 0.203 464 E C 1.038 177.699 176.600 0.101 0.000 0.841 464 E CA 0.066 56.444 56.400 -0.035 0.000 1.046 464 E CB 0.459 30.141 29.700 -0.030 0.000 1.040 464 E HN 0.219 nan 8.360 nan 0.000 0.504 465 G N 1.665 110.491 108.800 0.044 0.000 2.339 465 G HA2 0.579 4.553 3.960 0.024 0.000 0.287 465 G HA3 0.579 4.553 3.960 0.024 0.000 0.287 465 G C -0.725 174.186 174.900 0.018 0.000 1.163 465 G CA -0.126 44.993 45.100 0.032 0.000 0.872 465 G HN -0.025 nan 8.290 nan 0.000 0.464 466 L N 2.834 124.033 121.223 -0.040 0.000 2.703 466 L HA 0.250 4.604 4.340 0.024 0.000 0.257 466 L C -2.588 174.187 176.870 -0.158 0.000 0.923 466 L CA -1.601 53.183 54.840 -0.093 0.000 0.936 466 L CB 3.285 45.276 42.059 -0.113 0.000 1.482 466 L HN 0.374 nan 8.230 nan 0.000 0.432 467 P HA 0.060 nan 4.420 nan 0.000 0.269 467 P C 0.452 177.617 177.300 -0.224 0.000 1.209 467 P CA -0.367 62.644 63.100 -0.148 0.000 0.776 467 P CB 0.749 32.384 31.700 -0.109 0.000 0.876 468 L N 3.165 124.263 121.223 -0.209 0.000 2.079 468 L HA -0.211 4.144 4.340 0.024 0.000 0.210 468 L C 1.735 178.508 176.870 -0.163 0.000 1.081 468 L CA 2.079 56.792 54.840 -0.211 0.000 0.752 468 L CB -1.156 40.774 42.059 -0.215 0.000 0.896 468 L HN 0.292 nan 8.230 nan 0.000 0.433 469 E N -0.715 119.359 120.200 -0.211 0.000 2.160 469 E HA -0.205 4.160 4.350 0.024 0.000 0.195 469 E C 1.941 178.123 176.600 -0.698 0.000 0.991 469 E CA 1.344 57.548 56.400 -0.326 0.000 0.810 469 E CB -0.274 29.217 29.700 -0.347 0.000 0.742 469 E HN 0.378 nan 8.360 nan 0.000 0.466 470 L N 0.234 121.049 121.223 -0.680 0.000 2.341 470 L HA 0.058 4.413 4.340 0.024 0.000 0.214 470 L C 0.852 177.474 176.870 -0.414 0.000 1.115 470 L CA 0.756 55.220 54.840 -0.627 0.000 0.820 470 L CB -0.164 41.664 42.059 -0.385 0.000 0.944 470 L HN -0.069 nan 8.230 nan 0.000 0.452 471 R N -0.668 119.604 120.500 -0.381 0.000 2.801 471 R HA 0.489 4.844 4.340 0.024 0.000 0.273 471 R C 0.295 176.080 176.300 -0.858 0.000 1.080 471 R CA 0.531 56.369 56.100 -0.436 0.000 1.197 471 R CB 0.181 30.251 30.300 -0.382 0.000 1.109 471 R HN 0.212 nan 8.270 nan 0.000 0.535 472 G N -0.264 107.952 108.800 -0.972 0.000 2.561 472 G HA2 0.224 4.198 3.960 0.024 0.000 0.310 472 G HA3 0.224 4.198 3.960 0.024 0.000 0.310 472 G C -2.569 171.924 174.900 -0.678 0.000 1.292 472 G CA -0.777 43.381 45.100 -1.570 0.000 0.811 472 G HN 0.264 nan 8.290 nan 0.000 0.482 473 P HA 0.024 nan 4.420 nan 0.000 0.230 473 P C 0.968 178.269 177.300 0.001 0.000 1.158 473 P CA 0.949 63.961 63.100 -0.147 0.000 0.769 473 P CB 0.272 31.774 31.700 -0.331 0.000 0.807 474 N N -1.923 116.714 118.700 -0.106 0.000 2.280 474 N HA -0.045 4.709 4.740 0.024 0.000 0.192 474 N C -0.048 175.410 175.510 -0.087 0.000 1.109 474 N CA -0.398 52.611 53.050 -0.068 0.000 0.855 474 N CB -0.488 37.925 38.487 -0.123 0.000 0.974 474 N HN -0.040 nan 8.380 nan 0.000 0.482 475 Y N 1.409 121.575 120.300 -0.223 0.000 2.721 475 Y HA 0.095 4.659 4.550 0.024 0.000 0.329 475 Y C -1.613 174.119 175.900 -0.280 0.000 1.211 475 Y CA -1.473 56.430 58.100 -0.328 0.000 1.512 475 Y CB 0.798 38.934 38.460 -0.540 0.000 1.249 475 Y HN 0.140 nan 8.280 nan 0.000 0.549 476 P HA -0.216 nan 4.420 nan 0.000 0.215 476 P C 0.608 177.734 177.300 -0.289 0.000 1.157 476 P CA 2.508 65.347 63.100 -0.435 0.000 0.874 476 P CB 0.147 31.565 31.700 -0.469 0.000 0.790 477 N N -2.165 116.297 118.700 -0.398 0.000 2.364 477 N HA -0.170 4.585 4.740 0.024 0.000 0.183 477 N C 0.765 176.405 175.510 0.217 0.000 1.022 477 N CA 0.605 53.613 53.050 -0.071 0.000 0.883 477 N CB -0.304 38.204 38.487 0.035 0.000 0.965 477 N HN 0.227 nan 8.380 nan 0.000 0.438 478 Y N -0.107 120.265 120.300 0.120 0.000 2.457 478 Y HA 0.376 4.940 4.550 0.024 0.000 0.263 478 Y C 1.689 177.637 175.900 0.080 0.000 1.164 478 Y CA -1.125 57.059 58.100 0.139 0.000 1.274 478 Y CB -0.562 38.079 38.460 0.303 0.000 1.097 478 Y HN 0.006 nan 8.280 nan 0.000 0.523 479 A N -0.768 122.161 122.820 0.182 0.000 2.235 479 A HA 0.056 4.391 4.320 0.024 0.000 0.208 479 A C 1.803 179.463 177.584 0.127 0.000 1.172 479 A CA 0.944 53.072 52.037 0.153 0.000 0.786 479 A CB -0.354 18.690 19.000 0.073 0.000 0.804 479 A HN 0.409 nan 8.150 nan 0.000 0.479 480 M N -1.695 117.957 119.600 0.087 0.000 2.564 480 M HA 0.189 4.684 4.480 0.024 0.000 0.254 480 M C -0.458 175.867 176.300 0.042 0.000 1.299 480 M CA 0.248 55.578 55.300 0.049 0.000 1.143 480 M CB 0.498 33.122 32.600 0.040 0.000 1.427 480 M HN 0.250 nan 8.290 nan 0.000 0.538 481 N N 0.333 119.051 118.700 0.029 0.000 2.314 481 N HA 0.456 5.211 4.740 0.024 0.000 0.304 481 N C -0.512 175.002 175.510 0.007 0.000 1.073 481 N CA -0.784 52.290 53.050 0.041 0.000 0.822 481 N CB 2.334 40.867 38.487 0.076 0.000 1.280 481 N HN -0.059 nan 8.380 nan 0.000 0.489 482 V N -0.107 119.713 119.914 -0.156 0.000 3.432 482 V HA 0.430 4.565 4.120 0.024 0.000 0.304 482 V C 1.362 177.475 176.094 0.030 0.000 1.107 482 V CA 0.074 62.222 62.300 -0.254 0.000 1.153 482 V CB -0.136 31.113 31.823 -0.955 0.000 1.072 482 V HN 0.974 nan 8.190 nan 0.000 0.485 483 G N 0.901 109.690 108.800 -0.018 0.000 2.198 483 G HA2 -0.257 3.718 3.960 0.024 0.000 0.260 483 G HA3 -0.257 3.718 3.960 0.024 0.000 0.260 483 G C 0.061 174.858 174.900 -0.172 0.000 1.025 483 G CA 1.199 46.329 45.100 0.050 0.000 0.769 483 G HN 1.359 nan 8.290 nan 0.000 0.507 484 H N -2.051 116.881 119.070 -0.230 0.000 2.312 484 H HA 0.223 4.793 4.556 0.024 0.000 0.215 484 H C 2.446 177.090 175.328 -1.141 0.000 0.870 484 H CA 0.766 56.365 56.048 -0.748 0.000 0.982 484 H CB -0.269 29.006 29.762 -0.811 0.000 1.330 484 H HN 0.330 nan 8.280 nan 0.000 0.399 485 Q N 0.528 120.042 119.800 -0.476 0.000 2.050 485 Q HA -0.061 4.293 4.340 0.024 0.000 0.202 485 Q C 2.292 178.072 176.000 -0.367 0.000 0.980 485 Q CA 1.474 56.987 55.803 -0.482 0.000 0.840 485 Q CB -0.168 28.419 28.738 -0.252 0.000 0.898 485 Q HN 0.513 nan 8.270 nan 0.000 0.424 486 G N 0.562 109.368 108.800 0.009 0.000 2.422 486 G HA2 -0.242 3.732 3.960 0.024 0.000 0.218 486 G HA3 -0.242 3.732 3.960 0.024 0.000 0.218 486 G C 1.013 175.837 174.900 -0.128 0.000 1.140 486 G CA 0.688 45.858 45.100 0.117 0.000 0.775 486 G HN 0.237 nan 8.290 nan 0.000 0.545 487 E N 0.043 120.058 120.200 -0.308 0.000 2.106 487 E HA -0.064 4.301 4.350 0.024 0.000 0.192 487 E C 2.094 178.380 176.600 -0.523 0.000 0.984 487 E CA 0.698 56.890 56.400 -0.347 0.000 0.806 487 E CB -0.334 29.176 29.700 -0.316 0.000 0.750 487 E HN 0.499 nan 8.360 nan 0.000 0.458 488 Y N 0.571 120.325 120.300 -0.909 0.000 2.207 488 Y HA -0.114 4.450 4.550 0.023 0.000 0.287 488 Y C 2.294 177.735 175.900 -0.765 0.000 1.156 488 Y CA 0.668 58.123 58.100 -1.074 0.000 1.182 488 Y CB -1.160 36.253 38.460 -1.744 0.000 0.979 488 Y HN 0.064 nan 8.280 nan 0.000 0.521 489 A N 0.122 122.678 122.820 -0.441 0.000 1.902 489 A HA -0.111 4.223 4.320 0.024 0.000 0.217 489 A C 2.703 180.276 177.584 -0.019 0.000 1.181 489 A CA 1.787 53.794 52.037 -0.050 0.000 0.623 489 A CB -1.427 17.681 19.000 0.180 0.000 0.818 489 A HN 0.448 nan 8.150 nan 0.000 0.443 490 G N 0.121 108.886 108.800 -0.059 0.000 2.440 490 G HA2 -0.225 3.749 3.960 0.024 0.000 0.218 490 G HA3 -0.225 3.749 3.960 0.024 0.000 0.218 490 G C 1.511 176.385 174.900 -0.044 0.000 1.154 490 G CA 1.205 46.291 45.100 -0.022 0.000 0.767 490 G HN 0.498 nan 8.290 nan 0.000 0.552 491 I N 0.994 121.496 120.570 -0.113 0.000 2.315 491 I HA -0.150 4.035 4.170 0.024 0.000 0.248 491 I C 2.965 179.036 176.117 -0.077 0.000 1.117 491 I CA 0.955 62.177 61.300 -0.129 0.000 1.404 491 I CB -0.186 37.706 38.000 -0.180 0.000 1.071 491 I HN 0.092 nan 8.210 nan 0.000 0.419 492 S N 0.330 116.001 115.700 -0.047 0.000 2.370 492 S HA -0.280 4.205 4.470 0.024 0.000 0.226 492 S C 1.920 176.621 174.600 0.168 0.000 1.033 492 S CA 1.569 59.802 58.200 0.056 0.000 1.011 492 S CB -0.318 62.937 63.200 0.091 0.000 0.852 492 S HN 0.413 nan 8.310 nan 0.000 0.457 493 Q N 1.854 121.735 119.800 0.135 0.000 2.079 493 Q HA 0.066 4.421 4.340 0.024 0.000 0.200 493 Q C 2.074 178.185 176.000 0.187 0.000 0.974 493 Q CA 1.663 57.577 55.803 0.186 0.000 0.840 493 Q CB -0.804 28.021 28.738 0.145 0.000 0.898 493 Q HN 0.427 nan 8.270 nan 0.000 0.430 494 A N 1.532 124.420 122.820 0.113 0.000 1.896 494 A HA -0.187 4.148 4.320 0.024 0.000 0.220 494 A C -0.345 177.365 177.584 0.210 0.000 1.206 494 A CA 2.004 54.139 52.037 0.162 0.000 0.647 494 A CB -1.975 16.908 19.000 -0.196 0.000 0.828 494 A HN 0.574 nan 8.150 nan 0.000 0.455 495 P HA -0.137 nan 4.420 nan 0.000 0.219 495 P C 0.934 178.134 177.300 -0.166 0.000 1.150 495 P CA 1.368 64.411 63.100 -0.094 0.000 0.814 495 P CB -0.371 31.164 31.700 -0.275 0.000 0.787 496 H N 0.204 119.307 119.070 0.055 0.000 2.389 496 H HA 0.080 4.652 4.556 0.025 0.000 0.299 496 H C 2.092 177.446 175.328 0.043 0.000 1.081 496 H CA 1.551 57.608 56.048 0.015 0.000 1.345 496 H CB -0.761 28.995 29.762 -0.009 0.000 1.393 496 H HN 0.111 nan 8.280 nan 0.000 0.520 497 A N 1.249 124.175 122.820 0.177 0.000 1.898 497 A HA -0.040 4.294 4.320 0.024 0.000 0.216 497 A C 2.692 180.313 177.584 0.062 0.000 1.181 497 A CA 1.604 53.722 52.037 0.136 0.000 0.620 497 A CB -0.762 18.331 19.000 0.155 0.000 0.819 497 A HN 0.412 nan 8.150 nan 0.000 0.442 498 A N -0.215 122.645 122.820 0.067 0.000 1.933 498 A HA -0.141 4.193 4.320 0.024 0.000 0.218 498 A C 2.193 179.776 177.584 -0.002 0.000 1.175 498 A CA 1.485 53.511 52.037 -0.018 0.000 0.628 498 A CB -0.412 18.623 19.000 0.060 0.000 0.814 498 A HN 0.542 nan 8.150 nan 0.000 0.444 499 R N -1.507 118.998 120.500 0.009 0.000 2.235 499 R HA 0.116 4.470 4.340 0.024 0.000 0.213 499 R C 1.382 177.691 176.300 0.016 0.000 1.059 499 R CA 0.579 56.679 56.100 0.000 0.000 0.997 499 R CB -0.237 30.051 30.300 -0.020 0.000 0.884 499 R HN 0.707 nan 8.270 nan 0.000 0.462 500 G N 1.789 110.612 108.800 0.038 0.000 2.160 500 G HA2 -0.242 3.732 3.960 0.024 0.000 0.251 500 G HA3 -0.242 3.732 3.960 0.024 0.000 0.251 500 G C -0.624 174.294 174.900 0.030 0.000 1.008 500 G CA 0.165 45.297 45.100 0.052 0.000 0.724 500 G HN 0.272 nan 8.290 nan 0.000 0.514 501 D N -0.138 120.277 120.400 0.026 0.000 2.488 501 D HA 0.407 5.061 4.640 0.024 0.000 0.238 501 D C 1.525 177.804 176.300 -0.035 0.000 1.138 501 D CA 0.624 54.598 54.000 -0.045 0.000 0.873 501 D CB 0.975 41.740 40.800 -0.058 0.000 1.183 501 D HN 0.404 nan 8.370 nan 0.000 0.458 502 A N 2.572 125.360 122.820 -0.054 0.000 2.067 502 A HA 0.048 4.383 4.320 0.024 0.000 0.219 502 A C 0.500 178.175 177.584 0.150 0.000 1.158 502 A CA 0.973 53.046 52.037 0.061 0.000 0.661 502 A CB -0.490 18.542 19.000 0.053 0.000 0.801 502 A HN 0.557 nan 8.150 nan 0.000 0.452 503 F N -6.461 113.464 119.950 -0.043 0.000 2.713 503 F HA 0.590 5.133 4.527 0.025 0.000 0.311 503 F C 0.116 175.803 175.800 -0.188 0.000 1.141 503 F CA -0.963 56.989 58.000 -0.080 0.000 0.939 503 F CB 0.782 39.705 39.000 -0.127 0.000 1.325 503 F HN -0.278 nan 8.300 nan 0.000 0.453 504 V N 0.170 120.045 119.914 -0.064 0.000 2.788 504 V HA 0.057 4.191 4.120 0.024 0.000 0.241 504 V C 0.546 176.603 176.094 -0.061 0.000 1.083 504 V CA 1.574 63.612 62.300 -0.437 0.000 1.103 504 V CB 0.289 32.079 31.823 -0.055 0.000 0.800 504 V HN 0.869 nan 8.190 nan 0.000 0.476 505 F N -0.698 119.344 119.950 0.154 0.000 2.764 505 F HA 0.467 5.009 4.527 0.025 0.000 0.342 505 F C 0.131 176.044 175.800 0.189 0.000 0.873 505 F CA -0.131 57.986 58.000 0.195 0.000 1.086 505 F CB 0.707 39.815 39.000 0.180 0.000 0.937 505 F HN 0.099 nan 8.300 nan 0.000 0.623 506 N N 1.725 120.386 118.700 -0.066 0.000 2.519 506 N HA 0.293 5.048 4.740 0.024 0.000 0.291 506 N C -2.568 172.555 175.510 -0.644 0.000 1.107 506 N CA -1.530 51.210 53.050 -0.517 0.000 0.904 506 N CB 2.485 40.525 38.487 -0.744 0.000 1.500 506 N HN -0.124 nan 8.380 nan 0.000 0.510 507 P HA -0.002 nan 4.420 nan 0.000 0.222 507 P C 1.567 178.459 177.300 -0.679 0.000 1.153 507 P CA 0.530 62.983 63.100 -1.078 0.000 0.798 507 P CB 0.847 31.718 31.700 -1.381 0.000 0.796 508 L N -0.698 120.142 121.223 -0.637 0.000 2.017 508 L HA -0.112 4.243 4.340 0.024 0.000 0.208 508 L C 2.653 179.291 176.870 -0.386 0.000 1.073 508 L CA 1.273 55.813 54.840 -0.501 0.000 0.745 508 L CB -1.379 40.317 42.059 -0.605 0.000 0.894 508 L HN -0.170 nan 8.230 nan 0.000 0.432 509 V N 0.235 119.899 119.914 -0.417 0.000 2.343 509 V HA -0.276 3.858 4.120 0.024 0.000 0.247 509 V C 2.612 178.653 176.094 -0.088 0.000 1.051 509 V CA 1.908 64.051 62.300 -0.261 0.000 1.036 509 V CB -0.544 30.985 31.823 -0.490 0.000 0.654 509 V HN 0.389 nan 8.190 nan 0.000 0.451 510 K N 0.988 121.291 120.400 -0.162 0.000 2.009 510 K HA -0.167 4.167 4.320 0.024 0.000 0.210 510 K C 1.780 178.406 176.600 0.043 0.000 1.049 510 K CA 1.990 58.267 56.287 -0.016 0.000 0.929 510 K CB -0.686 31.808 32.500 -0.010 0.000 0.714 510 K HN 0.455 nan 8.250 nan 0.000 0.440 511 I N 0.537 120.973 120.570 -0.224 0.000 2.286 511 I HA -0.213 3.972 4.170 0.024 0.000 0.248 511 I C 2.220 178.197 176.117 -0.234 0.000 1.115 511 I CA 1.160 62.275 61.300 -0.309 0.000 1.392 511 I CB -0.396 36.966 38.000 -1.064 0.000 1.065 511 I HN 0.257 nan 8.210 nan 0.000 0.418 512 A N 0.160 122.846 122.820 -0.222 0.000 2.070 512 A HA -0.132 4.203 4.320 0.024 0.000 0.220 512 A C 1.716 179.108 177.584 -0.320 0.000 1.159 512 A CA 1.461 53.399 52.037 -0.164 0.000 0.656 512 A CB -0.681 18.236 19.000 -0.138 0.000 0.800 512 A HN 0.435 nan 8.150 nan 0.000 0.453 513 F N -0.962 118.921 119.950 -0.111 0.000 2.639 513 F HA 0.402 4.944 4.527 0.024 0.000 0.302 513 F C 1.445 177.227 175.800 -0.030 0.000 1.097 513 F CA 0.026 57.943 58.000 -0.139 0.000 1.294 513 F CB 0.363 39.152 39.000 -0.351 0.000 1.027 513 F HN 0.152 nan 8.300 nan 0.000 0.550 514 A N 0.687 123.567 122.820 0.099 0.000 3.077 514 A HA 0.285 4.619 4.320 0.024 0.000 0.255 514 A C -0.482 177.123 177.584 0.034 0.000 1.728 514 A CA 0.193 52.244 52.037 0.024 0.000 1.383 514 A CB -0.784 18.188 19.000 -0.047 0.000 1.097 514 A HN 0.152 nan 8.150 nan 0.000 0.634 515 D N 0.214 120.664 120.400 0.084 0.000 2.616 515 D HA 0.181 4.835 4.640 0.024 0.000 0.238 515 D C -0.398 175.971 176.300 0.116 0.000 1.354 515 D CA -0.389 53.665 54.000 0.090 0.000 0.970 515 D CB 1.154 42.013 40.800 0.099 0.000 1.369 515 D HN 0.193 nan 8.370 nan 0.000 0.585 516 D N 2.491 122.929 120.400 0.064 0.000 2.363 516 D HA -0.018 4.636 4.640 0.024 0.000 0.226 516 D C 0.662 176.991 176.300 0.047 0.000 1.020 516 D CA 0.287 54.323 54.000 0.060 0.000 0.892 516 D CB 0.164 40.973 40.800 0.015 0.000 0.900 516 D HN 0.445 nan 8.370 nan 0.000 0.531 517 N N -0.203 118.514 118.700 0.029 0.000 2.461 517 N HA 0.069 4.823 4.740 0.024 0.000 0.188 517 N C 0.462 176.092 175.510 0.200 0.000 1.134 517 N CA -0.074 52.971 53.050 -0.009 0.000 0.878 517 N CB 0.436 38.708 38.487 -0.358 0.000 0.972 517 N HN 0.090 nan 8.380 nan 0.000 0.456 518 L N 0.152 121.540 121.223 0.274 0.000 2.482 518 L HA -0.044 4.311 4.340 0.024 0.000 0.273 518 L C 1.496 178.546 176.870 0.299 0.000 1.228 518 L CA -0.258 54.794 54.840 0.353 0.000 0.827 518 L CB 0.726 43.070 42.059 0.474 0.000 1.099 518 L HN -0.021 nan 8.230 nan 0.000 0.494 519 V N 1.322 121.435 119.914 0.331 0.000 2.346 519 V HA -0.153 3.982 4.120 0.024 0.000 0.244 519 V C 0.627 176.922 176.094 0.336 0.000 1.037 519 V CA 0.812 63.268 62.300 0.259 0.000 1.029 519 V CB -0.344 31.644 31.823 0.274 0.000 0.663 519 V HN 0.479 nan 8.190 nan 0.000 0.454 520 F N 1.794 121.945 119.950 0.334 0.000 2.443 520 F HA 0.310 4.851 4.527 0.024 0.000 0.353 520 F C 0.360 176.206 175.800 0.076 0.000 1.101 520 F CA -0.870 57.265 58.000 0.224 0.000 1.226 520 F CB 0.602 39.542 39.000 -0.099 0.000 1.140 520 F HN 0.029 nan 8.300 nan 0.000 0.557 521 D N 5.737 125.933 120.400 -0.341 0.000 2.422 521 D HA 0.046 4.700 4.640 0.024 0.000 0.227 521 D C 0.592 176.832 176.300 -0.101 0.000 1.190 521 D CA 0.038 53.967 54.000 -0.119 0.000 0.905 521 D CB -0.219 40.473 40.800 -0.179 0.000 1.034 521 D HN 0.453 nan 8.370 nan 0.000 0.507 522 F N 0.992 121.122 119.950 0.300 0.000 2.641 522 F HA -0.105 4.436 4.527 0.024 0.000 0.298 522 F C 2.627 178.506 175.800 0.132 0.000 1.146 522 F CA 1.035 59.224 58.000 0.313 0.000 1.464 522 F CB -0.203 38.973 39.000 0.294 0.000 1.101 522 F HN 0.382 nan 8.300 nan 0.000 0.585 523 T N -3.216 111.452 114.554 0.190 0.000 3.055 523 T HA -0.089 4.275 4.350 0.024 0.000 0.265 523 T C 1.048 175.757 174.700 0.015 0.000 1.111 523 T CA 0.938 63.091 62.100 0.087 0.000 1.118 523 T CB -0.206 68.686 68.868 0.040 0.000 0.909 523 T HN 0.112 nan 8.240 nan 0.000 0.501 524 N N 0.513 119.180 118.700 -0.054 0.000 2.687 524 N HA 0.286 5.040 4.740 0.024 0.000 0.275 524 N C 0.763 176.131 175.510 -0.238 0.000 1.789 524 N CA -0.235 52.742 53.050 -0.122 0.000 0.806 524 N CB 0.560 38.978 38.487 -0.114 0.000 1.256 524 N HN 0.055 nan 8.380 nan 0.000 0.500 525 V N 1.294 121.082 119.914 -0.210 0.000 2.250 525 V HA -0.300 3.835 4.120 0.024 0.000 0.250 525 V C 2.285 177.946 176.094 -0.722 0.000 1.060 525 V CA 1.958 64.038 62.300 -0.366 0.000 1.030 525 V CB -0.269 31.358 31.823 -0.327 0.000 0.643 525 V HN 0.512 nan 8.190 nan 0.000 0.445 526 R N -0.019 120.171 120.500 -0.517 0.000 2.081 526 R HA -0.103 4.251 4.340 0.024 0.000 0.235 526 R C 2.506 178.678 176.300 -0.213 0.000 1.131 526 R CA 1.424 57.283 56.100 -0.402 0.000 0.960 526 R CB -0.941 29.263 30.300 -0.160 0.000 0.856 526 R HN 0.612 nan 8.270 nan 0.000 0.436 527 G N 1.321 110.017 108.800 -0.173 0.000 2.442 527 G HA2 -0.268 3.706 3.960 0.024 0.000 0.219 527 G HA3 -0.268 3.706 3.960 0.024 0.000 0.219 527 G C 1.215 176.051 174.900 -0.108 0.000 1.141 527 G CA 0.621 45.657 45.100 -0.107 0.000 0.763 527 G HN 0.234 nan 8.290 nan 0.000 0.554 528 E N 0.311 120.367 120.200 -0.239 0.000 2.072 528 E HA -0.053 4.311 4.350 0.024 0.000 0.191 528 E C 2.316 178.939 176.600 0.038 0.000 0.985 528 E CA 0.459 56.714 56.400 -0.241 0.000 0.801 528 E CB -0.364 28.798 29.700 -0.897 0.000 0.750 528 E HN 0.415 nan 8.360 nan 0.000 0.452 529 F N 1.205 121.104 119.950 -0.085 0.000 2.126 529 F HA -0.109 4.432 4.527 0.024 0.000 0.299 529 F C 2.487 178.284 175.800 -0.006 0.000 1.096 529 F CA 0.674 58.641 58.000 -0.056 0.000 1.255 529 F CB -1.488 37.435 39.000 -0.128 0.000 0.997 529 F HN -0.022 nan 8.300 nan 0.000 0.479 530 A N -0.120 122.811 122.820 0.185 0.000 1.877 530 A HA -0.236 4.099 4.320 0.024 0.000 0.216 530 A C 2.357 180.011 177.584 0.116 0.000 1.186 530 A CA 1.852 53.967 52.037 0.131 0.000 0.620 530 A CB -0.803 18.243 19.000 0.077 0.000 0.822 530 A HN 0.331 nan 8.150 nan 0.000 0.443 531 K N -0.678 119.787 120.400 0.108 0.000 2.032 531 K HA -0.142 4.193 4.320 0.024 0.000 0.209 531 K C 1.997 178.702 176.600 0.175 0.000 1.048 531 K CA 1.547 57.916 56.287 0.136 0.000 0.927 531 K CB -0.553 32.042 32.500 0.160 0.000 0.712 531 K HN 0.399 nan 8.250 nan 0.000 0.441 532 G N 0.050 108.944 108.800 0.158 0.000 2.432 532 G HA2 -0.220 3.754 3.960 0.024 0.000 0.219 532 G HA3 -0.220 3.754 3.960 0.024 0.000 0.219 532 G C 1.503 176.472 174.900 0.115 0.000 1.135 532 G CA 0.807 45.980 45.100 0.122 0.000 0.767 532 G HN 0.438 nan 8.290 nan 0.000 0.550 533 A N 0.276 123.167 122.820 0.118 0.000 2.014 533 A HA 0.247 4.581 4.320 0.024 0.000 0.218 533 A C 2.152 179.801 177.584 0.109 0.000 1.163 533 A CA 0.662 52.769 52.037 0.116 0.000 0.652 533 A CB -0.196 18.884 19.000 0.134 0.000 0.808 533 A HN 0.350 nan 8.150 nan 0.000 0.449 534 L N -1.503 119.784 121.223 0.108 0.000 2.591 534 L HA 0.129 4.483 4.340 0.024 0.000 0.228 534 L C 0.471 177.396 176.870 0.093 0.000 1.133 534 L CA -0.056 54.841 54.840 0.094 0.000 0.880 534 L CB -0.098 42.014 42.059 0.088 0.000 1.033 534 L HN 0.398 nan 8.230 nan 0.000 0.450 535 R N -0.344 120.220 120.500 0.108 0.000 3.651 535 R HA -0.212 4.142 4.340 0.024 0.000 0.292 535 R C 0.445 176.811 176.300 0.110 0.000 1.161 535 R CA 0.804 56.968 56.100 0.108 0.000 0.787 535 R CB -2.083 28.267 30.300 0.084 0.000 1.249 535 R HN 0.478 nan 8.270 nan 0.000 0.476 536 E N -0.274 120.004 120.200 0.131 0.000 2.498 536 E HA 0.097 4.461 4.350 0.024 0.000 0.203 536 E C -0.107 176.573 176.600 0.133 0.000 1.013 536 E CA -0.182 56.283 56.400 0.107 0.000 0.927 536 E CB 0.316 30.066 29.700 0.083 0.000 1.012 536 E HN 0.209 nan 8.360 nan 0.000 0.482 537 F N 2.183 122.153 119.950 0.034 0.000 2.399 537 F HA 0.222 4.764 4.527 0.024 0.000 0.334 537 F C -0.142 175.682 175.800 0.041 0.000 1.097 537 F CA -0.611 57.409 58.000 0.032 0.000 1.076 537 F CB 0.900 39.933 39.000 0.054 0.000 1.162 537 F HN -0.266 nan 8.300 nan 0.000 0.495 538 E N 7.688 127.626 120.200 -0.437 0.000 2.073 538 E HA 0.264 4.628 4.350 0.024 0.000 0.269 538 E C -2.367 174.121 176.600 -0.186 0.000 0.917 538 E CA -1.958 54.320 56.400 -0.204 0.000 0.757 538 E CB 0.875 30.457 29.700 -0.196 0.000 1.111 538 E HN 0.383 nan 8.360 nan 0.000 0.410 539 P HA 0.237 nan 4.420 nan 0.000 0.278 539 P C -0.721 176.661 177.300 0.138 0.000 1.258 539 P CA -0.446 62.835 63.100 0.303 0.000 0.811 539 P CB 1.242 33.147 31.700 0.341 0.000 1.063 540 A N 0.208 123.114 122.820 0.143 0.000 2.259 540 A HA 0.591 4.925 4.320 0.024 0.000 0.278 540 A C 1.231 178.856 177.584 0.069 0.000 1.107 540 A CA 0.225 52.312 52.037 0.084 0.000 0.828 540 A CB -0.788 18.264 19.000 0.086 0.000 1.111 540 A HN 0.848 nan 8.150 nan 0.000 0.498 541 G N -1.115 107.705 108.800 0.033 0.000 2.195 541 G HA2 -0.168 3.806 3.960 0.024 0.000 0.246 541 G HA3 -0.168 3.806 3.960 0.024 0.000 0.246 541 G C 0.082 174.993 174.900 0.018 0.000 0.984 541 G CA 0.323 45.434 45.100 0.019 0.000 0.633 541 G HN 0.764 nan 8.290 nan 0.000 0.525 542 E N -0.138 120.075 120.200 0.021 0.000 2.404 542 E HA 0.437 4.802 4.350 0.024 0.000 0.261 542 E C 1.028 177.624 176.600 -0.007 0.000 1.074 542 E CA -0.177 56.231 56.400 0.013 0.000 0.917 542 E CB 0.527 30.237 29.700 0.017 0.000 0.965 542 E HN 0.276 nan 8.360 nan 0.000 0.433 543 R N 0.792 121.288 120.500 -0.006 0.000 2.427 543 R HA 0.168 4.523 4.340 0.024 0.000 0.262 543 R C 1.483 177.770 176.300 -0.022 0.000 0.943 543 R CA 0.447 56.538 56.100 -0.016 0.000 1.081 543 R CB -0.054 30.244 30.300 -0.004 0.000 1.166 543 R HN 0.551 nan 8.270 nan 0.000 0.534 544 A N 0.548 123.356 122.820 -0.020 0.000 1.940 544 A HA -0.178 4.156 4.320 0.024 0.000 0.219 544 A C 1.795 179.361 177.584 -0.031 0.000 1.176 544 A CA 1.230 53.256 52.037 -0.018 0.000 0.631 544 A CB -0.326 18.668 19.000 -0.012 0.000 0.814 544 A HN 0.309 nan 8.150 nan 0.000 0.446 545 L N -0.046 121.141 121.223 -0.059 0.000 2.191 545 L HA -0.026 4.329 4.340 0.024 0.000 0.212 545 L C 1.748 178.580 176.870 -0.063 0.000 1.103 545 L CA 1.759 56.548 54.840 -0.085 0.000 0.769 545 L CB -0.254 41.693 42.059 -0.186 0.000 0.908 545 L HN 0.630 nan 8.230 nan 0.000 0.438 546 I N -3.786 116.756 120.570 -0.047 0.000 3.927 546 I HA 0.295 4.479 4.170 0.024 0.000 0.332 546 I C 0.036 176.153 176.117 0.001 0.000 1.485 546 I CA -0.117 61.175 61.300 -0.013 0.000 1.131 546 I CB -0.421 37.577 38.000 -0.004 0.000 1.092 546 I HN 0.111 nan 8.210 nan 0.000 0.410 547 T N -1.665 112.887 114.554 -0.003 0.000 2.924 547 T HA 0.679 5.044 4.350 0.024 0.000 0.291 547 T C -2.612 172.090 174.700 0.004 0.000 1.045 547 T CA -1.620 60.481 62.100 0.002 0.000 1.015 547 T CB 1.411 70.280 68.868 0.000 0.000 1.103 547 T HN -0.106 nan 8.240 nan 0.000 0.496 548 P HA 0.432 nan 4.420 nan 0.000 0.268 548 P C 0.050 177.353 177.300 0.005 0.000 1.208 548 P CA -0.398 62.705 63.100 0.006 0.000 0.777 548 P CB -0.041 31.662 31.700 0.006 0.000 0.875 549 A N 0.000 122.823 122.820 0.005 0.000 2.254 549 A HA 0.000 4.334 4.320 0.024 0.000 0.244 549 A CA 0.000 52.040 52.037 0.005 0.000 0.836 549 A CB 0.000 19.004 19.000 0.006 0.000 0.831 549 A HN 0.000 nan 8.150 nan 0.000 0.486