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 1mb9_1_B DATA FIRST_RESID 3 DATA SEQUENCE APVLPAAFGF LASARTGGXX XPGPVFATRG SHTDIDTPQG ERSLAATLVH DATA SEQUENCE APSVAPDRAV ARSLTGAPTT AVLAGEIYNR DELLSVLPAG PAPEGDAELV DATA SEQUENCE LRLLERYDLH AFRLVNGRFA TVVRTGDRVL LATDHAGSVP LYTCVAPGEV DATA SEQUENCE RASTEAKALA AHRDPKGFPL ADARRVAGLT GVYQVPAGAV MDIDLGSGTA DATA SEQUENCE VTHRTWTPGL SRRILPEGEA VAAVRAALEK AVAQRVTPGD TPLVVLSGGI DATA SEQUENCE DSSGVAACAH RAAGELDTVS MGTDTSNEFR EARAVVDHLR TRHREITIPT DATA SEQUENCE TELLAQLPYA VWASESVDPD IIEYLLPLTA LYRALDGPER RILTGYGADI DATA SEQUENCE PLGGMHREDR LPALDTVLAH DMATFDGLNE MSPVLSTLAG HWTTHPYWDR DATA SEQUENCE EVLDLLVSLE AGLKRRHGRD KWVLRAAMAD ALPAETVNRP KLGXXXXXXT DATA SEQUENCE TSSFSRLLLD HGVAEDRVHE AKRQVVRELF DLTVGGGRHP SEVDTDDVVR DATA SEQUENCE SVADRT 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.580 177.584 -0.007 0.000 1.274 3 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 3 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 4 P HA 0.208 nan 4.420 nan 0.000 0.261 4 P C 1.018 178.305 177.300 -0.021 0.000 1.173 4 P CA -0.129 62.952 63.100 -0.031 0.000 0.760 4 P CB 0.656 32.320 31.700 -0.060 0.000 0.783 5 V N 3.238 123.150 119.914 -0.003 0.000 2.488 5 V HA -0.072 4.048 4.120 0.000 0.000 0.246 5 V C 1.158 177.261 176.094 0.014 0.000 1.046 5 V CA 1.311 63.627 62.300 0.027 0.000 1.053 5 V CB -0.612 31.246 31.823 0.058 0.000 0.679 5 V HN 0.386 nan 8.190 nan 0.000 0.458 6 L N 0.947 122.148 121.223 -0.037 0.000 2.334 6 L HA 0.465 4.806 4.340 0.000 0.000 0.270 6 L C -2.235 174.446 176.870 -0.316 0.000 1.018 6 L CA -2.038 52.726 54.840 -0.126 0.000 0.811 6 L CB 0.996 43.051 42.059 -0.008 0.000 1.271 6 L HN 0.023 nan 8.230 nan 0.000 0.443 7 P HA -0.015 nan 4.420 nan 0.000 0.268 7 P C 0.160 177.187 177.300 -0.456 0.000 1.208 7 P CA -0.153 62.614 63.100 -0.555 0.000 0.777 7 P CB 0.828 32.022 31.700 -0.842 0.000 0.875 8 A N 2.064 124.692 122.820 -0.319 0.000 1.978 8 A HA 0.137 4.457 4.320 0.000 0.000 0.220 8 A C 1.141 178.542 177.584 -0.305 0.000 1.170 8 A CA 1.830 53.704 52.037 -0.273 0.000 0.636 8 A CB -0.729 18.152 19.000 -0.199 0.000 0.810 8 A HN 0.792 nan 8.150 nan 0.000 0.448 9 A N -2.645 119.997 122.820 -0.297 0.000 2.488 9 A HA 0.640 4.961 4.320 0.000 0.000 0.298 9 A C -0.076 177.396 177.584 -0.187 0.000 1.044 9 A CA -0.613 51.297 52.037 -0.212 0.000 0.693 9 A CB 0.366 19.349 19.000 -0.028 0.000 1.272 9 A HN 0.093 nan 8.150 nan 0.000 0.402 10 F N 1.657 121.591 119.950 -0.026 0.000 2.219 10 F HA 0.380 4.907 4.527 0.000 0.000 0.294 10 F C 1.674 177.415 175.800 -0.098 0.000 1.086 10 F CA 0.995 58.975 58.000 -0.034 0.000 1.330 10 F CB -0.134 38.874 39.000 0.013 0.000 1.047 10 F HN 0.810 nan 8.300 nan 0.000 0.495 11 G N -1.594 107.205 108.800 -0.002 0.000 2.682 11 G HA2 0.539 4.499 3.960 0.000 0.000 0.303 11 G HA3 0.539 4.499 3.960 0.000 0.000 0.303 11 G C -1.839 172.918 174.900 -0.240 0.000 1.341 11 G CA -0.424 44.472 45.100 -0.339 0.000 0.784 11 G HN 0.019 nan 8.290 nan 0.000 0.497 12 F N -2.307 117.538 119.950 -0.175 0.000 2.817 12 F HA 0.788 5.316 4.527 0.000 0.000 0.317 12 F C -1.962 173.986 175.800 0.247 0.000 1.168 12 F CA -1.650 56.384 58.000 0.057 0.000 0.911 12 F CB 1.786 40.822 39.000 0.060 0.000 1.337 12 F HN 0.594 nan 8.300 nan 0.000 0.464 13 L N 2.152 123.785 121.223 0.685 0.000 2.529 13 L HA 0.814 5.154 4.340 0.000 0.000 0.260 13 L C -1.217 175.854 176.870 0.336 0.000 0.997 13 L CA -0.405 54.741 54.840 0.509 0.000 0.885 13 L CB 0.925 43.197 42.059 0.355 0.000 1.185 13 L HN 1.172 nan 8.230 nan 0.000 0.442 14 A N 2.888 125.886 122.820 0.295 0.000 2.294 14 A HA 0.815 5.135 4.320 0.000 0.000 0.330 14 A C -0.570 177.061 177.584 0.079 0.000 1.133 14 A CA -0.440 51.646 52.037 0.082 0.000 0.836 14 A CB 1.810 20.746 19.000 -0.105 0.000 1.190 14 A HN 0.591 nan 8.150 nan 0.000 0.492 15 S N -0.520 115.197 115.700 0.029 0.000 2.572 15 S HA 0.644 5.114 4.470 0.000 0.000 0.274 15 S C -0.971 173.631 174.600 0.003 0.000 1.150 15 S CA 0.167 58.379 58.200 0.021 0.000 0.944 15 S CB 1.211 64.417 63.200 0.010 0.000 1.071 15 S HN 1.942 nan 8.310 nan 0.000 0.479 16 A N 5.245 128.068 122.820 0.005 0.000 2.310 16 A HA 0.781 5.101 4.320 0.000 0.000 0.304 16 A C -0.290 177.295 177.584 0.002 0.000 1.231 16 A CA -0.689 51.349 52.037 0.002 0.000 0.799 16 A CB 0.712 19.715 19.000 0.005 0.000 1.162 16 A HN 0.794 nan 8.150 nan 0.000 0.486 17 R N 1.065 121.565 120.500 -0.000 0.000 2.637 17 R HA 0.465 4.806 4.340 0.000 0.000 0.291 17 R C 0.633 176.936 176.300 0.004 0.000 0.963 17 R CA -0.488 55.612 56.100 0.000 0.000 0.901 17 R CB 1.935 32.232 30.300 -0.005 0.000 1.160 17 R HN 0.669 nan 8.270 nan 0.000 0.457 18 T N 0.116 114.675 114.554 0.008 0.000 3.055 18 T HA 0.124 4.475 4.350 0.000 0.000 0.265 18 T C 0.388 175.092 174.700 0.008 0.000 1.111 18 T CA 0.880 62.987 62.100 0.011 0.000 1.118 18 T CB 0.092 68.969 68.868 0.016 0.000 0.909 18 T HN 0.786 nan 8.240 nan 0.000 0.501 19 G N -0.907 107.896 108.800 0.005 0.000 2.020 19 G HA2 0.518 4.478 3.960 0.000 0.000 0.304 19 G HA3 0.518 4.478 3.960 0.000 0.000 0.304 19 G C -0.374 174.526 174.900 0.001 0.000 1.500 19 G CA 0.026 45.128 45.100 0.003 0.000 1.120 19 G HN 0.550 nan 8.290 nan 0.000 0.555 25 G N 1.473 110.294 108.800 0.035 0.000 2.476 25 G HA2 0.629 4.589 3.960 0.000 0.000 0.269 25 G HA3 0.629 4.589 3.960 0.000 0.000 0.269 25 G C -2.428 172.466 174.900 -0.010 0.000 1.195 25 G CA -0.937 44.176 45.100 0.021 0.000 0.843 25 G HN 0.461 nan 8.290 nan 0.000 0.545 26 P HA 0.389 nan 4.420 nan 0.000 0.293 26 P C -1.097 175.939 177.300 -0.440 0.000 1.291 26 P CA -0.595 62.251 63.100 -0.423 0.000 0.867 26 P CB 2.247 33.430 31.700 -0.862 0.000 1.074 27 V N 4.789 124.451 119.914 -0.419 0.000 2.326 27 V HA 0.458 4.578 4.120 0.000 0.000 0.281 27 V C -1.119 174.899 176.094 -0.128 0.000 1.015 27 V CA -0.646 61.551 62.300 -0.171 0.000 0.823 27 V CB -0.646 31.154 31.823 -0.039 0.000 1.009 27 V HN 0.367 nan 8.190 nan 0.000 0.436 28 F N 4.358 124.372 119.950 0.107 0.000 2.483 28 F HA 0.670 5.197 4.527 0.000 0.000 0.329 28 F C 1.345 177.069 175.800 -0.126 0.000 1.064 28 F CA -0.540 57.440 58.000 -0.034 0.000 0.986 28 F CB 2.187 41.194 39.000 0.011 0.000 1.218 28 F HN 0.542 nan 8.300 nan 0.000 0.484 29 A N 0.367 123.034 122.820 -0.255 0.000 2.044 29 A HA 0.093 4.414 4.320 0.000 0.000 0.213 29 A C 0.888 178.293 177.584 -0.298 0.000 1.169 29 A CA 0.363 51.875 52.037 -0.876 0.000 0.724 29 A CB -0.549 17.430 19.000 -1.702 0.000 0.840 29 A HN 0.648 nan 8.150 nan 0.000 0.463 30 T N 1.235 115.698 114.554 -0.152 0.000 2.902 30 T HA 0.241 4.591 4.350 0.000 0.000 0.301 30 T C 0.279 175.038 174.700 0.098 0.000 1.012 30 T CA 0.107 62.161 62.100 -0.077 0.000 1.151 30 T CB 0.354 69.152 68.868 -0.118 0.000 0.946 30 T HN 0.440 nan 8.240 nan 0.000 0.542 31 R N 1.409 121.948 120.500 0.065 0.000 2.404 31 R HA 0.605 4.946 4.340 0.000 0.000 0.291 31 R C 0.320 176.726 176.300 0.178 0.000 1.025 31 R CA 0.091 56.265 56.100 0.123 0.000 0.991 31 R CB 0.509 30.851 30.300 0.070 0.000 1.053 31 R HN 0.922 nan 8.270 nan 0.000 0.479 32 G N 0.876 109.771 108.800 0.158 0.000 2.368 32 G HA2 -0.040 3.921 3.960 0.000 0.000 0.302 32 G HA3 -0.040 3.921 3.960 0.000 0.000 0.302 32 G C -1.406 173.523 174.900 0.048 0.000 1.329 32 G CA -0.916 44.252 45.100 0.113 0.000 0.935 32 G HN 0.567 nan 8.290 nan 0.000 0.590 33 S N -0.176 115.425 115.700 -0.166 0.000 2.585 33 S HA 0.434 4.904 4.470 0.000 0.000 0.273 33 S C -0.208 174.443 174.600 0.086 0.000 1.339 33 S CA -0.067 58.035 58.200 -0.163 0.000 1.028 33 S CB 0.377 63.349 63.200 -0.380 0.000 0.906 33 S HN 0.505 nan 8.310 nan 0.000 0.528 34 H N 1.063 120.140 119.070 0.012 0.000 2.595 34 H HA 0.325 4.881 4.556 0.000 0.000 0.313 34 H C -0.644 174.770 175.328 0.144 0.000 1.023 34 H CA -0.527 55.590 56.048 0.116 0.000 1.218 34 H CB 1.009 30.825 29.762 0.091 0.000 1.403 34 H HN 0.409 nan 8.280 nan 0.000 0.477 35 T N 3.657 118.390 114.554 0.299 0.000 2.809 35 T HA 0.097 4.447 4.350 0.000 0.000 0.284 35 T C -0.326 174.454 174.700 0.134 0.000 0.992 35 T CA -0.899 61.331 62.100 0.216 0.000 0.957 35 T CB 1.182 70.195 68.868 0.241 0.000 0.942 35 T HN 0.498 nan 8.240 nan 0.000 0.439 36 D N 2.802 123.260 120.400 0.097 0.000 2.304 36 D HA 0.345 4.985 4.640 0.000 0.000 0.250 36 D C 0.752 177.073 176.300 0.035 0.000 1.107 36 D CA -0.423 53.615 54.000 0.063 0.000 0.885 36 D CB 0.661 41.493 40.800 0.053 0.000 1.192 36 D HN 0.574 nan 8.370 nan 0.000 0.436 37 I N -1.529 119.052 120.570 0.017 0.000 2.713 37 I HA 0.367 4.537 4.170 0.000 0.000 0.300 37 I C 0.036 176.150 176.117 -0.005 0.000 1.009 37 I CA -0.830 60.467 61.300 -0.005 0.000 1.305 37 I CB 0.838 38.824 38.000 -0.024 0.000 1.430 37 I HN -0.003 nan 8.210 nan 0.000 0.546 38 D N 2.838 123.231 120.400 -0.012 0.000 2.423 38 D HA 0.153 4.793 4.640 0.000 0.000 0.238 38 D C 0.158 176.451 176.300 -0.012 0.000 1.142 38 D CA 0.397 54.391 54.000 -0.010 0.000 0.884 38 D CB 1.113 41.905 40.800 -0.013 0.000 1.199 38 D HN 0.750 nan 8.370 nan 0.000 0.438 39 T N -1.303 113.246 114.554 -0.009 0.000 3.401 39 T HA 0.292 4.643 4.350 0.000 0.000 0.341 39 T C -1.714 172.981 174.700 -0.009 0.000 1.674 39 T CA -1.258 60.836 62.100 -0.010 0.000 1.600 39 T CB 1.301 70.165 68.868 -0.007 0.000 0.974 39 T HN 0.132 nan 8.240 nan 0.000 0.672 40 P HA -0.137 nan 4.420 nan 0.000 0.221 40 P C 0.772 178.067 177.300 -0.008 0.000 1.145 40 P CA 1.121 64.215 63.100 -0.010 0.000 0.795 40 P CB 0.263 31.956 31.700 -0.012 0.000 0.775 41 Q N -0.400 119.395 119.800 -0.008 0.000 2.241 41 Q HA 0.323 4.663 4.340 0.000 0.000 0.296 41 Q C 0.943 176.940 176.000 -0.005 0.000 0.889 41 Q CA 0.131 55.931 55.803 -0.007 0.000 1.089 41 Q CB -0.143 28.590 28.738 -0.007 0.000 1.195 41 Q HN 0.142 nan 8.270 nan 0.000 0.451 42 G N 3.089 111.886 108.800 -0.005 0.000 2.651 42 G HA2 -0.449 3.511 3.960 0.000 0.000 0.315 42 G HA3 -0.449 3.511 3.960 0.000 0.000 0.315 42 G C 0.659 175.556 174.900 -0.004 0.000 1.258 42 G CA 0.753 45.851 45.100 -0.004 0.000 1.002 42 G HN 0.480 nan 8.290 nan 0.000 0.551 43 E N 0.755 120.954 120.200 -0.003 0.000 2.333 43 E HA -0.067 4.284 4.350 0.000 0.000 0.198 43 E C 2.458 179.057 176.600 -0.002 0.000 1.007 43 E CA 0.968 57.367 56.400 -0.002 0.000 0.845 43 E CB -0.054 29.646 29.700 -0.001 0.000 0.766 43 E HN 0.497 nan 8.360 nan 0.000 0.507 44 R N 0.745 121.244 120.500 -0.002 0.000 2.310 44 R HA 0.131 4.471 4.340 0.000 0.000 0.202 44 R C 0.348 176.645 176.300 -0.005 0.000 0.933 44 R CA -0.113 55.986 56.100 -0.002 0.000 1.054 44 R CB 0.440 30.740 30.300 -0.001 0.000 0.985 44 R HN -0.067 nan 8.270 nan 0.000 0.489 45 S N 0.718 116.414 115.700 -0.007 0.000 2.693 45 S HA 0.268 4.738 4.470 0.000 0.000 0.276 45 S C -0.570 174.022 174.600 -0.014 0.000 1.192 45 S CA -0.745 57.448 58.200 -0.011 0.000 0.994 45 S CB 1.374 64.567 63.200 -0.012 0.000 1.012 45 S HN 0.063 nan 8.310 nan 0.000 0.550 46 L N 2.309 123.519 121.223 -0.021 0.000 2.260 46 L HA 0.662 5.002 4.340 0.000 0.000 0.289 46 L C -0.074 176.779 176.870 -0.029 0.000 1.057 46 L CA -0.250 54.573 54.840 -0.029 0.000 0.811 46 L CB 0.062 42.093 42.059 -0.046 0.000 1.184 46 L HN 0.677 nan 8.230 nan 0.000 0.429 47 A N 4.770 127.578 122.820 -0.019 0.000 2.331 47 A HA 0.877 5.197 4.320 0.000 0.000 0.283 47 A C -0.313 177.266 177.584 -0.008 0.000 1.142 47 A CA 0.159 52.190 52.037 -0.010 0.000 0.812 47 A CB 0.498 19.498 19.000 -0.001 0.000 1.074 47 A HN 1.265 nan 8.150 nan 0.000 0.497 48 A N 1.845 124.665 122.820 0.000 0.000 2.517 48 A HA 0.697 5.017 4.320 0.000 0.000 0.297 48 A C -0.445 177.174 177.584 0.059 0.000 1.050 48 A CA -0.398 51.650 52.037 0.018 0.000 0.694 48 A CB 1.144 20.109 19.000 -0.057 0.000 1.277 48 A HN 0.778 nan 8.150 nan 0.000 0.400 49 T N 3.120 117.744 114.554 0.117 0.000 2.788 49 T HA 0.532 4.883 4.350 0.000 0.000 0.296 49 T C -0.300 174.522 174.700 0.203 0.000 1.009 49 T CA -0.072 62.104 62.100 0.127 0.000 0.949 49 T CB 0.059 68.977 68.868 0.083 0.000 0.946 49 T HN 0.455 nan 8.240 nan 0.000 0.453 50 L N 3.219 124.553 121.223 0.184 0.000 2.312 50 L HA 0.655 4.995 4.340 0.000 0.000 0.281 50 L C 0.179 177.201 176.870 0.254 0.000 1.070 50 L CA -1.046 53.930 54.840 0.226 0.000 0.805 50 L CB 1.269 43.419 42.059 0.151 0.000 1.174 50 L HN 0.303 nan 8.230 nan 0.000 0.434 51 V N 3.684 123.722 119.914 0.207 0.000 2.398 51 V HA 0.562 4.682 4.120 0.000 0.000 0.286 51 V C -0.617 175.598 176.094 0.202 0.000 1.026 51 V CA -0.027 62.399 62.300 0.209 0.000 0.868 51 V CB 1.065 32.999 31.823 0.185 0.000 0.982 51 V HN 0.999 nan 8.190 nan 0.000 0.443 52 H N 4.066 123.166 119.070 0.050 0.000 2.942 52 H HA 0.839 5.395 4.556 0.000 0.000 0.316 52 H C -0.316 174.907 175.328 -0.175 0.000 1.323 52 H CA -0.508 55.383 56.048 -0.262 0.000 1.144 52 H CB 1.359 30.964 29.762 -0.262 0.000 1.866 52 H HN 0.803 nan 8.280 nan 0.000 0.545 53 A N 1.329 123.945 122.820 -0.340 0.000 2.524 53 A HA 0.326 4.646 4.320 0.000 0.000 0.250 53 A C -2.359 175.209 177.584 -0.026 0.000 1.078 53 A CA -1.029 50.962 52.037 -0.078 0.000 0.761 53 A CB -0.823 18.128 19.000 -0.083 0.000 1.012 53 A HN 0.586 nan 8.150 nan 0.000 0.500 54 P HA 0.098 nan 4.420 nan 0.000 0.267 54 P C 0.811 178.134 177.300 0.038 0.000 1.200 54 P CA 1.426 64.510 63.100 -0.025 0.000 0.772 54 P CB 0.783 32.475 31.700 -0.013 0.000 0.855 55 S N -0.693 115.044 115.700 0.062 0.000 2.691 55 S HA -0.153 4.317 4.470 0.000 0.000 0.262 55 S C 0.036 174.670 174.600 0.057 0.000 1.284 55 S CA 1.060 59.293 58.200 0.056 0.000 1.372 55 S CB -2.436 60.784 63.200 0.034 0.000 1.693 55 S HN 0.211 nan 8.310 nan 0.000 0.647 56 V N 2.697 122.661 119.914 0.083 0.000 2.293 56 V HA 0.799 4.919 4.120 0.000 0.000 0.275 56 V C 0.928 177.010 176.094 -0.020 0.000 1.021 56 V CA -0.503 61.812 62.300 0.025 0.000 0.815 56 V CB 0.458 32.277 31.823 -0.007 0.000 1.025 56 V HN 0.962 nan 8.190 nan 0.000 0.448 57 A N 7.835 130.621 122.820 -0.056 0.000 2.567 57 A HA 0.284 4.605 4.320 0.000 0.000 0.240 57 A C -0.881 176.552 177.584 -0.251 0.000 1.053 57 A CA -0.428 51.525 52.037 -0.139 0.000 0.755 57 A CB -0.034 18.915 19.000 -0.084 0.000 0.978 57 A HN 0.715 nan 8.150 nan 0.000 0.507 58 P HA 0.049 nan 4.420 nan 0.000 0.253 58 P C -0.132 177.031 177.300 -0.229 0.000 1.508 58 P CA -0.087 62.769 63.100 -0.406 0.000 0.883 58 P CB 0.254 31.568 31.700 -0.643 0.000 1.519 59 D N 1.326 121.624 120.400 -0.169 0.000 2.172 59 D HA -0.186 4.455 4.640 0.000 0.000 0.196 59 D C 1.690 177.927 176.300 -0.105 0.000 0.999 59 D CA 1.217 55.147 54.000 -0.116 0.000 0.856 59 D CB -0.300 40.446 40.800 -0.090 0.000 0.934 59 D HN 0.368 nan 8.370 nan 0.000 0.453 60 R N 0.466 120.898 120.500 -0.113 0.000 2.328 60 R HA 0.096 4.436 4.340 0.000 0.000 0.207 60 R C 1.737 177.977 176.300 -0.100 0.000 1.056 60 R CA 0.636 56.675 56.100 -0.101 0.000 1.016 60 R CB 0.005 30.241 30.300 -0.106 0.000 0.872 60 R HN 0.088 nan 8.270 nan 0.000 0.471 61 A N 0.477 123.233 122.820 -0.107 0.000 2.275 61 A HA 0.177 4.498 4.320 0.000 0.000 0.212 61 A C 0.374 177.917 177.584 -0.069 0.000 1.201 61 A CA 0.095 52.084 52.037 -0.080 0.000 0.843 61 A CB 0.696 19.648 19.000 -0.080 0.000 0.873 61 A HN 0.003 nan 8.150 nan 0.000 0.492 62 V N -0.248 119.620 119.914 -0.077 0.000 2.709 62 V HA 0.754 4.874 4.120 0.000 0.000 0.308 62 V C -0.207 175.849 176.094 -0.062 0.000 1.062 62 V CA -0.305 61.952 62.300 -0.071 0.000 0.901 62 V CB 1.368 33.148 31.823 -0.071 0.000 1.003 62 V HN 0.453 nan 8.190 nan 0.000 0.425 63 A N 4.839 127.625 122.820 -0.056 0.000 2.449 63 A HA 0.950 5.270 4.320 0.000 0.000 0.302 63 A C -0.685 176.874 177.584 -0.042 0.000 1.048 63 A CA -0.799 51.209 52.037 -0.049 0.000 0.708 63 A CB 1.867 20.838 19.000 -0.048 0.000 1.274 63 A HN 0.812 nan 8.150 nan 0.000 0.410 64 R N 0.430 120.908 120.500 -0.037 0.000 2.888 64 R HA 0.639 4.979 4.340 0.000 0.000 0.266 64 R C 0.109 176.392 176.300 -0.028 0.000 1.020 64 R CA -0.692 55.389 56.100 -0.031 0.000 0.963 64 R CB 1.940 32.222 30.300 -0.030 0.000 1.197 64 R HN 0.825 nan 8.270 nan 0.000 0.481 65 S N 0.481 116.167 115.700 -0.024 0.000 2.558 65 S HA -0.004 4.466 4.470 0.000 0.000 0.287 65 S C 0.824 175.411 174.600 -0.022 0.000 1.321 65 S CA -0.064 58.123 58.200 -0.021 0.000 1.048 65 S CB 0.290 63.480 63.200 -0.017 0.000 0.844 65 S HN 0.518 nan 8.310 nan 0.000 0.512 66 L N 3.465 124.675 121.223 -0.022 0.000 2.667 66 L HA 0.158 4.498 4.340 0.000 0.000 0.232 66 L C 1.851 178.710 176.870 -0.019 0.000 1.138 66 L CA 0.462 55.289 54.840 -0.021 0.000 0.921 66 L CB -0.104 41.942 42.059 -0.023 0.000 1.180 66 L HN 0.938 nan 8.230 nan 0.000 0.487 67 T N -5.028 109.516 114.554 -0.017 0.000 3.054 67 T HA 0.252 4.602 4.350 0.000 0.000 0.255 67 T C 1.373 176.065 174.700 -0.013 0.000 1.035 67 T CA 0.416 62.507 62.100 -0.015 0.000 0.941 67 T CB 0.801 69.660 68.868 -0.014 0.000 1.026 67 T HN 0.293 nan 8.240 nan 0.000 0.533 68 G N 1.098 109.889 108.800 -0.014 0.000 2.143 68 G HA2 -0.002 3.958 3.960 0.000 0.000 0.249 68 G HA3 -0.002 3.958 3.960 0.000 0.000 0.249 68 G C 0.289 175.182 174.900 -0.011 0.000 0.981 68 G CA -0.059 45.033 45.100 -0.013 0.000 0.665 68 G HN 1.157 nan 8.290 nan 0.000 0.528 69 A N 0.222 123.035 122.820 -0.011 0.000 2.242 69 A HA 0.857 5.177 4.320 0.000 0.000 0.304 69 A C -1.435 176.143 177.584 -0.010 0.000 1.100 69 A CA -0.972 51.060 52.037 -0.009 0.000 0.860 69 A CB 0.754 19.749 19.000 -0.009 0.000 1.168 69 A HN 0.233 nan 8.150 nan 0.000 0.503 70 P HA 0.134 nan 4.420 nan 0.000 0.231 70 P C -0.681 176.614 177.300 -0.008 0.000 1.756 70 P CA 0.485 63.581 63.100 -0.008 0.000 0.990 70 P CB -0.423 31.274 31.700 -0.005 0.000 1.973 71 T N 0.818 115.366 114.554 -0.011 0.000 2.840 71 T HA 0.447 4.797 4.350 0.000 0.000 0.287 71 T C -0.328 174.361 174.700 -0.018 0.000 0.991 71 T CA -0.073 62.020 62.100 -0.011 0.000 0.964 71 T CB 1.360 70.222 68.868 -0.010 0.000 0.954 71 T HN -0.002 nan 8.240 nan 0.000 0.438 72 T N 2.433 116.974 114.554 -0.021 0.000 2.916 72 T HA 0.753 5.103 4.350 0.000 0.000 0.298 72 T C -0.883 173.794 174.700 -0.039 0.000 1.031 72 T CA -0.644 61.435 62.100 -0.034 0.000 0.993 72 T CB 1.719 70.563 68.868 -0.041 0.000 1.045 72 T HN 0.713 nan 8.240 nan 0.000 0.454 73 A N 2.185 124.978 122.820 -0.045 0.000 2.365 73 A HA 0.881 5.201 4.320 0.000 0.000 0.318 73 A C -0.986 176.548 177.584 -0.083 0.000 1.091 73 A CA -0.655 51.354 52.037 -0.045 0.000 0.763 73 A CB 1.289 20.278 19.000 -0.017 0.000 1.248 73 A HN 0.665 nan 8.150 nan 0.000 0.442 74 V N 2.758 122.592 119.914 -0.133 0.000 2.577 74 V HA 0.548 4.668 4.120 0.000 0.000 0.303 74 V C -0.815 175.206 176.094 -0.121 0.000 1.042 74 V CA -0.362 61.821 62.300 -0.196 0.000 0.872 74 V CB 1.547 33.128 31.823 -0.403 0.000 0.998 74 V HN 0.852 nan 8.190 nan 0.000 0.423 75 L N 4.577 125.813 121.223 0.022 0.000 2.385 75 L HA 0.952 5.293 4.340 0.000 0.000 0.273 75 L C -0.070 176.950 176.870 0.250 0.000 0.990 75 L CA -0.278 54.672 54.840 0.185 0.000 0.821 75 L CB 1.751 43.868 42.059 0.097 0.000 1.279 75 L HN 0.727 nan 8.230 nan 0.000 0.412 76 A N 3.623 126.681 122.820 0.395 0.000 2.292 76 A HA 0.895 5.215 4.320 0.000 0.000 0.319 76 A C 0.364 178.056 177.584 0.181 0.000 1.206 76 A CA 0.358 52.531 52.037 0.226 0.000 0.835 76 A CB 0.856 19.909 19.000 0.089 0.000 1.164 76 A HN 1.434 nan 8.150 nan 0.000 0.505 77 G N 1.408 110.232 108.800 0.041 0.000 2.451 77 G HA2 0.190 4.150 3.960 0.000 0.000 0.208 77 G HA3 0.190 4.150 3.960 0.000 0.000 0.208 77 G C -0.548 174.310 174.900 -0.069 0.000 1.248 77 G CA 0.052 45.173 45.100 0.035 0.000 0.989 77 G HN 1.678 nan 8.290 nan 0.000 0.559 78 E N -1.530 118.669 120.200 -0.001 0.000 2.445 78 E HA 0.729 5.079 4.350 0.000 0.000 0.279 78 E C -1.152 175.274 176.600 -0.290 0.000 1.018 78 E CA -1.186 55.118 56.400 -0.160 0.000 0.816 78 E CB 1.985 31.568 29.700 -0.195 0.000 1.356 78 E HN 0.679 nan 8.360 nan 0.000 0.462 79 I N 1.151 121.505 120.570 -0.360 0.000 2.493 79 I HA 0.233 4.404 4.170 0.000 0.000 0.298 79 I C -0.426 175.455 176.117 -0.392 0.000 0.998 79 I CA -0.732 60.344 61.300 -0.372 0.000 1.137 79 I CB 1.082 38.927 38.000 -0.258 0.000 1.310 79 I HN 0.585 nan 8.210 nan 0.000 0.445 80 Y N 1.987 122.334 120.300 0.079 0.000 2.522 80 Y HA 0.021 4.572 4.550 0.000 0.000 0.277 80 Y C 1.470 177.386 175.900 0.028 0.000 1.104 80 Y CA -0.214 57.922 58.100 0.060 0.000 1.260 80 Y CB -0.180 38.328 38.460 0.080 0.000 1.151 80 Y HN 0.555 nan 8.280 nan 0.000 0.539 81 N N 1.484 120.263 118.700 0.132 0.000 3.052 81 N HA 0.062 4.803 4.740 0.000 0.000 0.302 81 N C 0.680 176.204 175.510 0.024 0.000 1.332 81 N CA -0.074 53.019 53.050 0.071 0.000 1.129 81 N CB -0.240 38.278 38.487 0.051 0.000 1.436 81 N HN 0.258 nan 8.380 nan 0.000 0.536 82 R N 0.142 120.656 120.500 0.022 0.000 2.073 82 R HA -0.086 4.254 4.340 0.000 0.000 0.234 82 R C 0.753 177.052 176.300 -0.003 0.000 1.134 82 R CA 1.501 57.597 56.100 -0.006 0.000 0.952 82 R CB -0.043 30.254 30.300 -0.006 0.000 0.850 82 R HN 0.327 nan 8.270 nan 0.000 0.433 83 D N 0.635 121.041 120.400 0.009 0.000 2.123 83 D HA -0.158 4.482 4.640 0.000 0.000 0.196 83 D C 1.803 178.106 176.300 0.005 0.000 0.992 83 D CA 1.380 55.384 54.000 0.007 0.000 0.833 83 D CB -0.054 40.753 40.800 0.011 0.000 0.954 83 D HN 0.239 nan 8.370 nan 0.000 0.455 84 E N 0.467 120.671 120.200 0.007 0.000 2.077 84 E HA -0.072 4.279 4.350 0.000 0.000 0.193 84 E C 2.340 178.939 176.600 -0.002 0.000 0.989 84 E CA 0.385 56.787 56.400 0.004 0.000 0.800 84 E CB -0.256 29.448 29.700 0.005 0.000 0.746 84 E HN 0.263 nan 8.360 nan 0.000 0.452 85 L N 0.064 121.280 121.223 -0.012 0.000 2.141 85 L HA -0.121 4.220 4.340 0.000 0.000 0.209 85 L C 2.129 178.996 176.870 -0.005 0.000 1.094 85 L CA 0.697 55.524 54.840 -0.022 0.000 0.763 85 L CB -0.267 41.763 42.059 -0.048 0.000 0.908 85 L HN 0.165 nan 8.230 nan 0.000 0.437 86 L N -0.583 120.636 121.223 -0.007 0.000 2.217 86 L HA -0.124 4.216 4.340 0.000 0.000 0.211 86 L C 2.686 179.560 176.870 0.006 0.000 1.107 86 L CA 1.131 55.969 54.840 -0.004 0.000 0.783 86 L CB -0.421 41.633 42.059 -0.008 0.000 0.919 86 L HN 0.351 nan 8.230 nan 0.000 0.442 87 S N -0.620 115.087 115.700 0.010 0.000 2.515 87 S HA -0.062 4.408 4.470 0.000 0.000 0.231 87 S C 1.526 176.143 174.600 0.029 0.000 0.987 87 S CA 0.667 58.877 58.200 0.015 0.000 0.936 87 S CB -0.354 62.855 63.200 0.014 0.000 0.766 87 S HN 0.327 nan 8.310 nan 0.000 0.528 88 V N -1.493 118.449 119.914 0.047 0.000 3.621 88 V HA 0.500 4.620 4.120 0.000 0.000 0.285 88 V C 0.242 176.385 176.094 0.082 0.000 1.346 88 V CA -0.418 61.936 62.300 0.090 0.000 1.104 88 V CB -0.806 31.113 31.823 0.160 0.000 0.913 88 V HN 0.384 nan 8.190 nan 0.000 0.432 89 L N 1.073 122.322 121.223 0.043 0.000 2.344 89 L HA 0.586 4.926 4.340 0.000 0.000 0.272 89 L C -2.112 174.756 176.870 -0.003 0.000 1.035 89 L CA -1.893 52.957 54.840 0.017 0.000 0.807 89 L CB 1.089 43.152 42.059 0.008 0.000 1.237 89 L HN 0.055 nan 8.230 nan 0.000 0.442 90 P HA 0.096 nan 4.420 nan 0.000 0.268 90 P C -0.534 176.756 177.300 -0.017 0.000 1.204 90 P CA -0.244 62.843 63.100 -0.022 0.000 0.768 90 P CB 0.647 32.328 31.700 -0.032 0.000 0.842 91 A N 2.833 125.645 122.820 -0.014 0.000 2.586 91 A HA 0.469 4.789 4.320 0.000 0.000 0.231 91 A C 0.907 178.483 177.584 -0.015 0.000 1.055 91 A CA 1.209 53.238 52.037 -0.012 0.000 0.756 91 A CB -0.776 18.217 19.000 -0.011 0.000 0.988 91 A HN 0.824 nan 8.150 nan 0.000 0.509 92 G N 1.142 109.934 108.800 -0.014 0.000 2.369 92 G HA2 0.377 4.338 3.960 0.000 0.000 0.293 92 G HA3 0.377 4.338 3.960 0.000 0.000 0.293 92 G C -3.162 171.729 174.900 -0.016 0.000 1.301 92 G CA -0.564 44.527 45.100 -0.015 0.000 0.913 92 G HN 0.750 nan 8.290 nan 0.000 0.540 93 P HA 0.482 nan 4.420 nan 0.000 0.260 93 P C 0.580 177.867 177.300 -0.021 0.000 1.207 93 P CA 0.788 63.877 63.100 -0.018 0.000 0.780 93 P CB 0.547 32.236 31.700 -0.019 0.000 0.789 94 A N 6.282 129.090 122.820 -0.020 0.000 2.475 94 A HA 0.275 4.595 4.320 0.000 0.000 0.239 94 A C -1.839 175.728 177.584 -0.028 0.000 1.087 94 A CA -0.735 51.288 52.037 -0.023 0.000 0.779 94 A CB -1.022 17.965 19.000 -0.021 0.000 1.036 94 A HN 0.389 nan 8.150 nan 0.000 0.506 95 P HA 0.263 nan 4.420 nan 0.000 0.272 95 P C -0.770 176.504 177.300 -0.042 0.000 1.223 95 P CA -0.030 63.046 63.100 -0.040 0.000 0.784 95 P CB 0.494 32.165 31.700 -0.048 0.000 0.923 96 E N 1.434 121.607 120.200 -0.046 0.000 2.173 96 E HA 0.518 4.868 4.350 0.000 0.000 0.249 96 E C -0.123 176.442 176.600 -0.059 0.000 0.923 96 E CA -0.506 55.866 56.400 -0.048 0.000 0.754 96 E CB 0.429 30.102 29.700 -0.045 0.000 1.177 96 E HN 0.717 nan 8.360 nan 0.000 0.430 97 G N 2.474 111.235 108.800 -0.065 0.000 2.539 97 G HA2 -0.167 3.794 3.960 0.000 0.000 0.686 97 G HA3 -0.167 3.794 3.960 0.000 0.000 0.686 97 G C -0.102 174.746 174.900 -0.086 0.000 1.258 97 G CA -0.920 44.133 45.100 -0.078 0.000 0.846 97 G HN 0.419 nan 8.290 nan 0.000 0.647 98 D N 0.242 120.581 120.400 -0.102 0.000 2.224 98 D HA 0.072 4.712 4.640 0.000 0.000 0.205 98 D C 2.619 178.850 176.300 -0.115 0.000 0.965 98 D CA 1.653 55.578 54.000 -0.124 0.000 0.852 98 D CB -0.128 40.581 40.800 -0.151 0.000 0.947 98 D HN 0.797 nan 8.370 nan 0.000 0.494 99 A N 0.800 123.569 122.820 -0.086 0.000 1.898 99 A HA -0.174 4.146 4.320 0.000 0.000 0.216 99 A C 2.122 179.667 177.584 -0.066 0.000 1.181 99 A CA 1.424 53.423 52.037 -0.064 0.000 0.620 99 A CB -0.420 18.546 19.000 -0.056 0.000 0.819 99 A HN 0.189 nan 8.150 nan 0.000 0.442 100 E N -0.364 119.795 120.200 -0.068 0.000 2.106 100 E HA -0.100 4.250 4.350 0.000 0.000 0.192 100 E C 1.944 178.503 176.600 -0.068 0.000 0.984 100 E CA 0.711 57.074 56.400 -0.061 0.000 0.806 100 E CB -0.162 29.504 29.700 -0.057 0.000 0.750 100 E HN 0.573 nan 8.360 nan 0.000 0.458 101 L N 0.329 121.504 121.223 -0.081 0.000 2.046 101 L HA -0.179 4.161 4.340 0.000 0.000 0.208 101 L C 2.303 179.108 176.870 -0.108 0.000 1.077 101 L CA 1.105 55.892 54.840 -0.088 0.000 0.747 101 L CB -0.192 41.805 42.059 -0.103 0.000 0.896 101 L HN 0.147 nan 8.230 nan 0.000 0.432 102 V N -0.115 119.720 119.914 -0.131 0.000 2.295 102 V HA -0.314 3.807 4.120 0.000 0.000 0.246 102 V C 2.416 178.428 176.094 -0.136 0.000 1.049 102 V CA 1.678 63.878 62.300 -0.167 0.000 1.024 102 V CB -0.406 31.346 31.823 -0.118 0.000 0.648 102 V HN 0.375 nan 8.190 nan 0.000 0.447 103 L N -0.083 121.091 121.223 -0.083 0.000 2.046 103 L HA -0.101 4.239 4.340 0.000 0.000 0.208 103 L C 2.619 179.455 176.870 -0.058 0.000 1.077 103 L CA 1.866 56.670 54.840 -0.060 0.000 0.747 103 L CB -0.740 41.293 42.059 -0.044 0.000 0.896 103 L HN 0.168 nan 8.230 nan 0.000 0.432 104 R N -0.583 119.883 120.500 -0.055 0.000 2.096 104 R HA -0.078 4.262 4.340 0.000 0.000 0.235 104 R C 2.257 178.539 176.300 -0.031 0.000 1.127 104 R CA 1.326 57.401 56.100 -0.043 0.000 0.968 104 R CB -0.988 29.289 30.300 -0.038 0.000 0.861 104 R HN 0.401 nan 8.270 nan 0.000 0.440 105 L N 0.328 121.528 121.223 -0.037 0.000 2.056 105 L HA -0.107 4.233 4.340 0.000 0.000 0.207 105 L C 2.427 179.313 176.870 0.028 0.000 1.078 105 L CA 0.908 55.762 54.840 0.023 0.000 0.749 105 L CB -0.417 41.599 42.059 -0.072 0.000 0.901 105 L HN 0.096 nan 8.230 nan 0.000 0.433 106 L N -0.455 120.721 121.223 -0.078 0.000 2.131 106 L HA -0.214 4.127 4.340 0.000 0.000 0.210 106 L C 2.417 179.269 176.870 -0.031 0.000 1.092 106 L CA 1.211 56.007 54.840 -0.073 0.000 0.759 106 L CB -0.434 41.573 42.059 -0.087 0.000 0.903 106 L HN 0.323 nan 8.230 nan 0.000 0.435 107 E N -0.451 119.725 120.200 -0.040 0.000 2.204 107 E HA -0.222 4.128 4.350 0.000 0.000 0.194 107 E C 2.202 178.750 176.600 -0.087 0.000 0.989 107 E CA 0.718 57.087 56.400 -0.051 0.000 0.824 107 E CB 0.032 29.703 29.700 -0.049 0.000 0.756 107 E HN 0.359 nan 8.360 nan 0.000 0.477 108 R N -0.474 119.951 120.500 -0.124 0.000 2.128 108 R HA -0.013 4.327 4.340 0.000 0.000 0.211 108 R C 0.850 176.866 176.300 -0.473 0.000 1.067 108 R CA 0.814 56.714 56.100 -0.333 0.000 1.010 108 R CB 0.330 30.339 30.300 -0.485 0.000 0.922 108 R HN 0.170 nan 8.270 nan 0.000 0.457 109 Y N -0.256 120.030 120.300 -0.024 0.000 2.527 109 Y HA 0.255 4.805 4.550 0.000 0.000 0.247 109 Y C 0.178 176.100 175.900 0.037 0.000 1.138 109 Y CA -0.134 57.978 58.100 0.020 0.000 1.228 109 Y CB 0.480 38.951 38.460 0.018 0.000 1.252 109 Y HN 0.118 nan 8.280 nan 0.000 0.531 110 D N 0.036 120.490 120.400 0.091 0.000 3.301 110 D HA -0.293 4.347 4.640 0.000 0.000 0.217 110 D C 0.963 177.249 176.300 -0.024 0.000 1.548 110 D CA 1.854 55.866 54.000 0.021 0.000 1.118 110 D CB -0.599 40.209 40.800 0.013 0.000 0.684 110 D HN 0.095 nan 8.370 nan 0.000 0.821 111 L N -0.894 120.273 121.223 -0.094 0.000 2.450 111 L HA 0.134 4.474 4.340 0.000 0.000 0.224 111 L C 1.872 178.712 176.870 -0.050 0.000 1.149 111 L CA 1.503 56.323 54.840 -0.034 0.000 0.816 111 L CB -0.952 41.079 42.059 -0.047 0.000 0.932 111 L HN 0.408 nan 8.230 nan 0.000 0.449 112 H N 0.560 119.662 119.070 0.055 0.000 2.563 112 H HA 0.241 4.797 4.556 0.000 0.000 0.272 112 H C 2.190 177.496 175.328 -0.036 0.000 1.005 112 H CA 0.808 56.886 56.048 0.050 0.000 1.171 112 H CB 0.028 29.830 29.762 0.067 0.000 1.351 112 H HN 0.568 nan 8.280 nan 0.000 0.602 113 A N 0.754 123.544 122.820 -0.050 0.000 1.933 113 A HA -0.147 4.173 4.320 0.000 0.000 0.218 113 A C 1.858 179.270 177.584 -0.286 0.000 1.175 113 A CA 0.951 52.827 52.037 -0.268 0.000 0.628 113 A CB -1.051 17.707 19.000 -0.403 0.000 0.814 113 A HN 0.262 nan 8.150 nan 0.000 0.444 114 F N -0.277 119.710 119.950 0.061 0.000 2.546 114 F HA -0.036 4.491 4.527 0.000 0.000 0.298 114 F C 2.331 178.213 175.800 0.138 0.000 1.120 114 F CA 0.773 58.846 58.000 0.122 0.000 1.456 114 F CB -0.109 39.001 39.000 0.184 0.000 1.088 114 F HN 0.126 nan 8.300 nan 0.000 0.572 115 R N 0.021 120.654 120.500 0.222 0.000 2.276 115 R HA 0.020 4.361 4.340 0.000 0.000 0.203 115 R C 1.605 177.969 176.300 0.107 0.000 1.017 115 R CA 0.694 56.910 56.100 0.193 0.000 1.010 115 R CB -0.141 30.251 30.300 0.153 0.000 0.900 115 R HN 0.386 nan 8.270 nan 0.000 0.469 116 L N 0.003 121.233 121.223 0.013 0.000 2.463 116 L HA 0.127 4.467 4.340 0.000 0.000 0.219 116 L C 0.381 177.254 176.870 0.006 0.000 1.088 116 L CA -0.027 54.785 54.840 -0.048 0.000 0.849 116 L CB 0.366 42.304 42.059 -0.201 0.000 1.012 116 L HN -0.141 nan 8.230 nan 0.000 0.468 117 V N 1.767 121.719 119.914 0.063 0.000 2.455 117 V HA 0.054 4.174 4.120 0.000 0.000 0.273 117 V C -0.136 176.072 176.094 0.189 0.000 1.045 117 V CA -0.262 62.092 62.300 0.091 0.000 0.976 117 V CB 0.804 32.666 31.823 0.064 0.000 0.993 117 V HN 0.280 nan 8.190 nan 0.000 0.475 118 N N 4.381 123.159 118.700 0.131 0.000 2.546 118 N HA 0.643 5.383 4.740 0.000 0.000 0.238 118 N C -0.090 175.576 175.510 0.260 0.000 0.984 118 N CA 0.231 53.375 53.050 0.156 0.000 0.935 118 N CB 1.278 39.807 38.487 0.070 0.000 1.122 118 N HN 0.802 nan 8.380 nan 0.000 0.510 119 G N 1.599 110.651 108.800 0.420 0.000 2.846 119 G HA2 0.466 4.426 3.960 0.000 0.000 0.299 119 G HA3 0.466 4.426 3.960 0.000 0.000 0.299 119 G C -1.545 173.604 174.900 0.416 0.000 1.242 119 G CA -0.841 44.437 45.100 0.297 0.000 0.800 119 G HN 0.485 nan 8.290 nan 0.000 0.538 120 R N -0.123 120.572 120.500 0.325 0.000 2.576 120 R HA 0.568 4.909 4.340 0.000 0.000 0.283 120 R C -1.412 175.090 176.300 0.337 0.000 1.493 120 R CA -0.577 55.701 56.100 0.296 0.000 1.170 120 R CB 0.184 30.749 30.300 0.442 0.000 1.189 120 R HN 0.659 nan 8.270 nan 0.000 0.542 121 F N 0.477 120.488 119.950 0.101 0.000 2.779 121 F HA 0.888 5.415 4.527 0.000 0.000 0.316 121 F C -1.990 173.849 175.800 0.065 0.000 1.164 121 F CA -1.152 56.903 58.000 0.092 0.000 0.924 121 F CB 1.111 40.152 39.000 0.069 0.000 1.348 121 F HN 0.258 nan 8.300 nan 0.000 0.467 122 A N 0.771 123.682 122.820 0.151 0.000 2.520 122 A HA 0.782 5.102 4.320 0.000 0.000 0.298 122 A C -1.175 176.674 177.584 0.443 0.000 1.051 122 A CA -0.273 51.818 52.037 0.089 0.000 0.690 122 A CB 1.618 20.587 19.000 -0.053 0.000 1.281 122 A HN 1.303 nan 8.150 nan 0.000 0.402 123 T N 0.269 115.065 114.554 0.403 0.000 2.894 123 T HA 0.644 4.994 4.350 0.000 0.000 0.309 123 T C -1.805 173.012 174.700 0.195 0.000 1.208 123 T CA -0.277 62.045 62.100 0.369 0.000 1.016 123 T CB 1.463 70.547 68.868 0.360 0.000 1.192 123 T HN 1.121 nan 8.240 nan 0.000 0.491 124 V N 3.239 123.152 119.914 -0.002 0.000 2.638 124 V HA 0.837 4.957 4.120 0.000 0.000 0.306 124 V C -0.644 175.417 176.094 -0.056 0.000 1.052 124 V CA -0.743 61.526 62.300 -0.052 0.000 0.885 124 V CB 1.660 33.375 31.823 -0.180 0.000 0.999 124 V HN 0.791 nan 8.190 nan 0.000 0.424 125 V N 5.894 125.815 119.914 0.012 0.000 2.686 125 V HA 0.705 4.825 4.120 0.000 0.000 0.306 125 V C -0.720 175.385 176.094 0.017 0.000 1.065 125 V CA -0.566 61.745 62.300 0.018 0.000 0.894 125 V CB 1.870 33.739 31.823 0.075 0.000 1.004 125 V HN 0.961 nan 8.190 nan 0.000 0.424 126 R N 3.829 124.328 120.500 -0.002 0.000 2.445 126 R HA 0.745 5.086 4.340 0.000 0.000 0.308 126 R C -1.189 175.115 176.300 0.005 0.000 0.961 126 R CA -0.290 55.812 56.100 0.003 0.000 0.862 126 R CB 1.979 32.275 30.300 -0.008 0.000 1.144 126 R HN 0.795 nan 8.270 nan 0.000 0.447 127 T N 3.357 117.918 114.554 0.013 0.000 3.009 127 T HA 0.396 4.747 4.350 0.000 0.000 0.346 127 T C 0.227 174.933 174.700 0.011 0.000 1.092 127 T CA 0.169 62.275 62.100 0.010 0.000 1.080 127 T CB 1.334 70.211 68.868 0.015 0.000 1.037 127 T HN 0.976 nan 8.240 nan 0.000 0.487 128 G N 3.872 112.676 108.800 0.006 0.000 2.561 128 G HA2 -0.267 3.693 3.960 0.000 0.000 0.289 128 G HA3 -0.267 3.693 3.960 0.000 0.000 0.289 128 G C 0.100 175.006 174.900 0.011 0.000 1.169 128 G CA 0.317 45.421 45.100 0.007 0.000 0.980 128 G HN 0.596 nan 8.290 nan 0.000 0.550 129 D N 1.292 121.700 120.400 0.015 0.000 2.395 129 D HA 0.276 4.916 4.640 0.000 0.000 0.226 129 D C 1.031 177.345 176.300 0.024 0.000 1.146 129 D CA 0.100 54.111 54.000 0.018 0.000 0.830 129 D CB 0.145 40.957 40.800 0.019 0.000 0.958 129 D HN 0.456 nan 8.370 nan 0.000 0.501 130 R N 0.458 120.973 120.500 0.025 0.000 2.445 130 R HA 0.556 4.896 4.340 0.000 0.000 0.308 130 R C -1.410 174.910 176.300 0.033 0.000 0.961 130 R CA -0.508 55.611 56.100 0.032 0.000 0.862 130 R CB 1.347 31.667 30.300 0.033 0.000 1.144 130 R HN -0.211 nan 8.270 nan 0.000 0.447 131 V N 6.163 126.101 119.914 0.040 0.000 2.588 131 V HA 0.442 4.562 4.120 0.000 0.000 0.304 131 V C -0.474 175.652 176.094 0.054 0.000 1.042 131 V CA -0.811 61.513 62.300 0.040 0.000 0.877 131 V CB 1.917 33.760 31.823 0.033 0.000 0.996 131 V HN 0.665 nan 8.190 nan 0.000 0.425 132 L N 5.424 126.685 121.223 0.064 0.000 2.329 132 L HA 0.675 5.015 4.340 0.000 0.000 0.279 132 L C -0.904 175.995 176.870 0.049 0.000 1.014 132 L CA -0.545 54.343 54.840 0.079 0.000 0.814 132 L CB 1.892 44.039 42.059 0.146 0.000 1.257 132 L HN 0.391 nan 8.230 nan 0.000 0.424 133 L N 2.915 124.146 121.223 0.012 0.000 2.356 133 L HA 0.882 5.222 4.340 0.000 0.000 0.277 133 L C -0.400 176.391 176.870 -0.130 0.000 0.996 133 L CA -0.482 54.351 54.840 -0.012 0.000 0.822 133 L CB 1.932 44.001 42.059 0.017 0.000 1.256 133 L HN 0.726 nan 8.230 nan 0.000 0.413 134 A N 1.597 124.290 122.820 -0.213 0.000 2.515 134 A HA 0.890 5.210 4.320 0.000 0.000 0.298 134 A C -0.434 176.988 177.584 -0.270 0.000 1.059 134 A CA -0.485 51.296 52.037 -0.427 0.000 0.698 134 A CB 2.050 20.250 19.000 -1.333 0.000 1.289 134 A HN 0.653 nan 8.150 nan 0.000 0.404 135 T N -1.142 113.234 114.554 -0.297 0.000 2.940 135 T HA 0.693 5.043 4.350 0.000 0.000 0.288 135 T C -0.248 174.114 174.700 -0.563 0.000 1.045 135 T CA -0.288 61.571 62.100 -0.402 0.000 1.018 135 T CB 1.115 69.829 68.868 -0.257 0.000 1.151 135 T HN 0.777 nan 8.240 nan 0.000 0.529 136 D N -0.844 119.066 120.400 -0.816 0.000 2.398 136 D HA 0.089 4.730 4.640 0.000 0.000 0.247 136 D C 1.607 177.780 176.300 -0.211 0.000 1.227 136 D CA -0.524 53.117 54.000 -0.597 0.000 0.980 136 D CB 0.188 40.664 40.800 -0.541 0.000 1.106 136 D HN 0.787 nan 8.370 nan 0.000 0.493 137 H N -0.963 118.040 119.070 -0.112 0.000 2.426 137 H HA -0.140 4.417 4.556 0.000 0.000 0.298 137 H C 0.989 176.263 175.328 -0.090 0.000 1.107 137 H CA 1.646 57.585 56.048 -0.182 0.000 1.298 137 H CB -0.415 28.891 29.762 -0.760 0.000 1.377 137 H HN 0.457 nan 8.280 nan 0.000 0.519 138 A N 0.275 122.651 122.820 -0.740 0.000 2.470 138 A HA 0.449 4.769 4.320 0.000 0.000 0.251 138 A C 1.802 179.429 177.584 0.072 0.000 1.245 138 A CA 0.377 52.333 52.037 -0.135 0.000 0.932 138 A CB -0.280 18.584 19.000 -0.226 0.000 1.037 138 A HN 0.684 nan 8.150 nan 0.000 0.522 139 G N 1.004 109.746 108.800 -0.096 0.000 2.341 139 G HA2 -0.316 3.644 3.960 0.000 0.000 0.292 139 G HA3 -0.316 3.644 3.960 0.000 0.000 0.292 139 G C 1.045 175.876 174.900 -0.115 0.000 1.021 139 G CA 1.165 46.198 45.100 -0.112 0.000 0.905 139 G HN 1.418 nan 8.290 nan 0.000 0.508 140 S N -2.351 113.260 115.700 -0.149 0.000 2.474 140 S HA 0.199 4.670 4.470 0.000 0.000 0.235 140 S C 0.910 175.440 174.600 -0.117 0.000 0.997 140 S CA 1.099 59.229 58.200 -0.117 0.000 0.949 140 S CB 0.488 63.652 63.200 -0.060 0.000 0.766 140 S HN 0.846 nan 8.310 nan 0.000 0.517 141 V N 3.834 123.664 119.914 -0.138 0.000 2.284 141 V HA 0.412 4.532 4.120 0.000 0.000 0.274 141 V C -2.535 173.455 176.094 -0.173 0.000 1.023 141 V CA -2.104 60.123 62.300 -0.120 0.000 0.808 141 V CB 0.827 32.609 31.823 -0.069 0.000 1.035 141 V HN 0.185 nan 8.190 nan 0.000 0.445 142 P HA 0.088 nan 4.420 nan 0.000 0.264 142 P C -0.645 176.476 177.300 -0.298 0.000 1.179 142 P CA 0.317 63.270 63.100 -0.245 0.000 0.763 142 P CB 0.573 32.215 31.700 -0.096 0.000 0.806 143 L N 3.921 124.858 121.223 -0.476 0.000 2.470 143 L HA 0.463 4.803 4.340 0.000 0.000 0.268 143 L C -1.361 175.228 176.870 -0.469 0.000 0.964 143 L CA -0.722 53.930 54.840 -0.313 0.000 0.839 143 L CB 1.154 43.111 42.059 -0.170 0.000 1.276 143 L HN 0.383 nan 8.230 nan 0.000 0.403 144 Y N 1.968 122.269 120.300 0.002 0.000 2.598 144 Y HA 0.718 5.269 4.550 0.000 0.000 0.340 144 Y C 0.292 176.242 175.900 0.082 0.000 1.038 144 Y CA -0.560 57.565 58.100 0.041 0.000 1.100 144 Y CB 2.429 40.903 38.460 0.025 0.000 1.281 144 Y HN 0.456 nan 8.280 nan 0.000 0.488 145 T N 0.133 114.849 114.554 0.269 0.000 2.853 145 T HA 0.569 4.919 4.350 0.000 0.000 0.311 145 T C -2.085 172.736 174.700 0.201 0.000 1.307 145 T CA -0.466 61.753 62.100 0.198 0.000 1.019 145 T CB 0.653 69.600 68.868 0.132 0.000 1.264 145 T HN 0.718 nan 8.240 nan 0.000 0.497 146 C N 3.519 122.895 119.300 0.127 0.000 2.407 146 C HA 0.735 5.195 4.460 0.000 0.000 0.328 146 C C -0.464 174.492 174.990 -0.057 0.000 1.137 146 C CA -0.762 58.299 59.018 0.073 0.000 1.390 146 C CB 0.118 27.911 27.740 0.088 0.000 1.989 146 C HN 0.729 nan 8.230 nan 0.000 0.432 147 V N 3.278 123.060 119.914 -0.221 0.000 2.495 147 V HA 0.935 5.055 4.120 0.000 0.000 0.298 147 V C 0.245 175.901 176.094 -0.729 0.000 1.031 147 V CA 0.003 62.111 62.300 -0.319 0.000 0.871 147 V CB 1.655 33.358 31.823 -0.200 0.000 0.988 147 V HN 1.033 nan 8.190 nan 0.000 0.432 148 A N 5.967 128.577 122.820 -0.351 0.000 2.594 148 A HA 0.941 5.262 4.320 0.000 0.000 0.291 148 A C -3.156 174.492 177.584 0.105 0.000 1.105 148 A CA -1.875 50.059 52.037 -0.172 0.000 0.694 148 A CB 1.993 20.936 19.000 -0.095 0.000 1.291 148 A HN 0.599 nan 8.150 nan 0.000 0.410 149 P HA 0.289 nan 4.420 nan 0.000 0.264 149 P C 1.046 178.395 177.300 0.081 0.000 1.193 149 P CA 2.339 65.528 63.100 0.148 0.000 0.763 149 P CB 0.607 32.388 31.700 0.135 0.000 0.810 150 G N 1.911 110.746 108.800 0.059 0.000 2.205 150 G HA2 -0.271 3.689 3.960 0.000 0.000 0.261 150 G HA3 -0.271 3.689 3.960 0.000 0.000 0.261 150 G C 0.052 174.966 174.900 0.023 0.000 0.980 150 G CA 0.252 45.374 45.100 0.036 0.000 0.632 150 G HN 0.633 nan 8.290 nan 0.000 0.533 151 E N -0.578 119.633 120.200 0.018 0.000 2.311 151 E HA 0.534 4.884 4.350 0.000 0.000 0.281 151 E C -1.217 175.376 176.600 -0.011 0.000 0.905 151 E CA -0.693 55.707 56.400 0.000 0.000 0.778 151 E CB 2.205 31.898 29.700 -0.011 0.000 1.240 151 E HN 0.223 nan 8.360 nan 0.000 0.410 152 V N 4.655 124.569 119.914 -0.000 0.000 2.540 152 V HA 0.567 4.688 4.120 0.000 0.000 0.302 152 V C -0.303 175.806 176.094 0.026 0.000 1.035 152 V CA -0.712 61.592 62.300 0.007 0.000 0.873 152 V CB 1.797 33.632 31.823 0.020 0.000 0.992 152 V HN 0.607 nan 8.190 nan 0.000 0.428 153 R N 2.941 123.469 120.500 0.046 0.000 2.534 153 R HA 0.838 5.178 4.340 0.000 0.000 0.301 153 R C -0.767 175.618 176.300 0.143 0.000 0.961 153 R CA -0.547 55.607 56.100 0.090 0.000 0.871 153 R CB 2.335 32.691 30.300 0.093 0.000 1.170 153 R HN 0.786 nan 8.270 nan 0.000 0.446 154 A N 1.538 124.474 122.820 0.193 0.000 2.374 154 A HA 0.623 4.944 4.320 0.000 0.000 0.305 154 A C -0.890 176.918 177.584 0.373 0.000 1.053 154 A CA -0.569 51.627 52.037 0.265 0.000 0.726 154 A CB 1.994 21.156 19.000 0.270 0.000 1.229 154 A HN 0.546 nan 8.150 nan 0.000 0.431 155 S N 0.236 116.117 115.700 0.302 0.000 2.564 155 S HA 0.571 5.041 4.470 0.000 0.000 0.274 155 S C 0.854 175.485 174.600 0.052 0.000 1.124 155 S CA 0.290 58.627 58.200 0.228 0.000 0.869 155 S CB 1.379 64.742 63.200 0.270 0.000 1.105 155 S HN 1.264 nan 8.310 nan 0.000 0.472 156 T N 0.270 114.674 114.554 -0.249 0.000 3.148 156 T HA 0.315 4.665 4.350 0.000 0.000 0.253 156 T C 0.091 174.744 174.700 -0.079 0.000 1.134 156 T CA 0.297 62.218 62.100 -0.298 0.000 1.051 156 T CB -0.331 68.179 68.868 -0.596 0.000 0.959 156 T HN 0.610 nan 8.240 nan 0.000 0.525 157 E N -0.054 120.133 120.200 -0.021 0.000 2.260 157 E HA 0.601 4.952 4.350 0.000 0.000 0.266 157 E C 0.506 176.986 176.600 -0.201 0.000 0.887 157 E CA -0.592 55.752 56.400 -0.092 0.000 0.777 157 E CB 1.949 31.592 29.700 -0.095 0.000 1.205 157 E HN 0.107 nan 8.360 nan 0.000 0.414 158 A N 3.946 126.360 122.820 -0.676 0.000 1.972 158 A HA -0.254 4.066 4.320 0.000 0.000 0.219 158 A C 1.974 179.341 177.584 -0.362 0.000 1.169 158 A CA 1.861 53.459 52.037 -0.732 0.000 0.635 158 A CB -0.475 17.895 19.000 -1.051 0.000 0.810 158 A HN 0.677 nan 8.150 nan 0.000 0.446 159 K N -0.231 119.980 120.400 -0.315 0.000 2.103 159 K HA -0.019 4.302 4.320 0.000 0.000 0.207 159 K C 1.906 178.385 176.600 -0.202 0.000 1.048 159 K CA 1.504 57.649 56.287 -0.238 0.000 0.930 159 K CB -0.563 31.813 32.500 -0.206 0.000 0.716 159 K HN 0.254 nan 8.250 nan 0.000 0.444 160 A N 1.402 124.140 122.820 -0.136 0.000 2.015 160 A HA 0.017 4.337 4.320 0.000 0.000 0.219 160 A C 2.103 179.430 177.584 -0.429 0.000 1.163 160 A CA 0.966 52.897 52.037 -0.178 0.000 0.646 160 A CB -0.398 18.633 19.000 0.052 0.000 0.806 160 A HN 0.322 nan 8.150 nan 0.000 0.448 161 L N -1.660 119.377 121.223 -0.309 0.000 2.354 161 L HA 0.061 4.402 4.340 0.000 0.000 0.212 161 L C 2.873 179.533 176.870 -0.350 0.000 1.091 161 L CA 0.679 55.332 54.840 -0.311 0.000 0.828 161 L CB -0.292 41.772 42.059 0.008 0.000 0.973 161 L HN 0.386 nan 8.230 nan 0.000 0.461 162 A N 0.358 123.012 122.820 -0.277 0.000 1.929 162 A HA -0.009 4.311 4.320 0.000 0.000 0.216 162 A C 2.279 179.746 177.584 -0.195 0.000 1.176 162 A CA 1.199 53.127 52.037 -0.183 0.000 0.628 162 A CB -0.460 18.442 19.000 -0.163 0.000 0.816 162 A HN 0.311 nan 8.150 nan 0.000 0.444 163 A N -0.480 122.166 122.820 -0.291 0.000 2.264 163 A HA 0.095 4.415 4.320 0.000 0.000 0.207 163 A C 0.615 178.124 177.584 -0.126 0.000 1.196 163 A CA 0.172 52.089 52.037 -0.201 0.000 0.778 163 A CB -0.857 18.031 19.000 -0.187 0.000 0.779 163 A HN 0.753 nan 8.150 nan 0.000 0.483 164 H N -1.789 117.271 119.070 -0.018 0.000 2.499 164 H HA 0.336 4.892 4.556 0.000 0.000 0.352 164 H C 1.524 176.849 175.328 -0.006 0.000 1.237 164 H CA -0.473 55.569 56.048 -0.010 0.000 1.343 164 H CB 0.745 30.504 29.762 -0.005 0.000 1.578 164 H HN 0.325 nan 8.280 nan 0.000 0.577 165 R N 0.249 120.832 120.500 0.138 0.000 2.159 165 R HA -0.051 4.290 4.340 0.000 0.000 0.237 165 R C -0.492 175.841 176.300 0.055 0.000 1.131 165 R CA 1.774 57.915 56.100 0.068 0.000 0.982 165 R CB -0.076 30.250 30.300 0.043 0.000 0.868 165 R HN 0.670 nan 8.270 nan 0.000 0.453 166 D N -2.724 117.716 120.400 0.066 0.000 2.912 166 D HA 0.269 4.909 4.640 0.000 0.000 0.263 166 D C -3.000 173.337 176.300 0.062 0.000 1.152 166 D CA -1.517 52.515 54.000 0.053 0.000 0.728 166 D CB 1.082 41.907 40.800 0.041 0.000 1.337 166 D HN -0.131 nan 8.370 nan 0.000 0.435 167 P HA 0.246 nan 4.420 nan 0.000 0.271 167 P C -0.545 176.790 177.300 0.059 0.000 1.216 167 P CA -0.024 63.112 63.100 0.060 0.000 0.771 167 P CB 0.477 32.210 31.700 0.055 0.000 0.864 168 K N 1.168 121.598 120.400 0.049 0.000 2.589 168 K HA 0.305 4.625 4.320 0.000 0.000 0.198 168 K C 0.210 176.785 176.600 -0.041 0.000 1.114 168 K CA -0.293 56.010 56.287 0.027 0.000 1.070 168 K CB 0.462 32.970 32.500 0.013 0.000 0.860 168 K HN 0.462 nan 8.250 nan 0.000 0.536 169 G N 1.577 110.365 108.800 -0.020 0.000 2.420 169 G HA2 0.601 4.561 3.960 0.000 0.000 0.331 169 G HA3 0.601 4.561 3.960 0.000 0.000 0.331 169 G C -0.827 174.072 174.900 -0.002 0.000 1.168 169 G CA -0.684 44.317 45.100 -0.166 0.000 0.936 169 G HN 0.161 nan 8.290 nan 0.000 0.479 170 F N -0.046 119.939 119.950 0.059 0.000 2.594 170 F HA 0.809 5.336 4.527 0.000 0.000 0.335 170 F C -2.578 172.937 175.800 -0.475 0.000 1.058 170 F CA -3.752 54.229 58.000 -0.032 0.000 0.981 170 F CB 0.012 38.994 39.000 -0.030 0.000 1.289 170 F HN 0.218 nan 8.300 nan 0.000 0.490 171 P HA 0.236 nan 4.420 nan 0.000 0.271 171 P C -0.736 176.400 177.300 -0.273 0.000 1.228 171 P CA 0.224 63.008 63.100 -0.526 0.000 0.797 171 P CB 0.495 32.156 31.700 -0.065 0.000 0.914 172 L N -0.862 120.198 121.223 -0.272 0.000 2.357 172 L HA 0.606 4.947 4.340 0.000 0.000 0.244 172 L C -0.276 176.565 176.870 -0.049 0.000 1.115 172 L CA -1.556 53.224 54.840 -0.100 0.000 0.919 172 L CB 1.264 43.258 42.059 -0.109 0.000 1.532 172 L HN 0.183 nan 8.230 nan 0.000 0.416 173 A N 0.546 123.351 122.820 -0.026 0.000 2.639 173 A HA 0.286 4.607 4.320 0.000 0.000 0.295 173 A C -0.190 177.383 177.584 -0.019 0.000 1.443 173 A CA 0.288 52.310 52.037 -0.025 0.000 1.117 173 A CB -0.853 18.125 19.000 -0.036 0.000 1.098 173 A HN 0.778 nan 8.150 nan 0.000 0.552 174 D N -0.566 119.828 120.400 -0.009 0.000 3.090 174 D HA -0.179 4.461 4.640 0.000 0.000 0.215 174 D C 0.377 176.687 176.300 0.016 0.000 1.140 174 D CA 1.574 55.574 54.000 0.001 0.000 0.937 174 D CB -1.793 39.001 40.800 -0.010 0.000 1.108 174 D HN 1.030 nan 8.370 nan 0.000 0.420 175 A N 0.686 123.523 122.820 0.029 0.000 2.444 175 A HA 0.401 4.722 4.320 0.000 0.000 0.273 175 A C 0.707 178.399 177.584 0.181 0.000 1.136 175 A CA 0.011 52.097 52.037 0.082 0.000 0.799 175 A CB 0.337 19.381 19.000 0.074 0.000 1.081 175 A HN 0.159 nan 8.150 nan 0.000 0.509 176 R N 1.604 122.200 120.500 0.161 0.000 2.390 176 R HA 0.225 4.566 4.340 0.000 0.000 0.291 176 R C 0.503 176.921 176.300 0.196 0.000 1.070 176 R CA -0.437 55.761 56.100 0.162 0.000 1.014 176 R CB 0.893 31.232 30.300 0.065 0.000 1.007 176 R HN 0.814 nan 8.270 nan 0.000 0.466 177 R N 2.531 123.112 120.500 0.135 0.000 2.401 177 R HA 0.067 4.407 4.340 0.000 0.000 0.299 177 R C -0.614 175.625 176.300 -0.101 0.000 1.064 177 R CA -0.254 55.757 56.100 -0.148 0.000 1.000 177 R CB 0.608 30.860 30.300 -0.080 0.000 0.973 177 R HN 0.323 nan 8.270 nan 0.000 0.438 178 V N 4.605 124.437 119.914 -0.137 0.000 2.508 178 V HA 0.115 4.235 4.120 0.000 0.000 0.281 178 V C 0.639 176.682 176.094 -0.084 0.000 1.041 178 V CA -0.263 62.017 62.300 -0.033 0.000 1.016 178 V CB 0.911 32.753 31.823 0.031 0.000 0.984 178 V HN 0.941 nan 8.190 nan 0.000 0.478 179 A N 4.576 127.320 122.820 -0.127 0.000 2.545 179 A HA 0.493 4.813 4.320 0.000 0.000 0.253 179 A C 1.542 178.932 177.584 -0.323 0.000 1.074 179 A CA 0.682 52.592 52.037 -0.213 0.000 0.760 179 A CB -0.614 18.232 19.000 -0.257 0.000 1.005 179 A HN 2.033 nan 8.150 nan 0.000 0.506 180 G N 1.394 110.090 108.800 -0.173 0.000 2.284 180 G HA2 -0.198 3.762 3.960 0.000 0.000 0.230 180 G HA3 -0.198 3.762 3.960 0.000 0.000 0.230 180 G C 0.163 175.127 174.900 0.107 0.000 1.021 180 G CA 0.287 45.356 45.100 -0.052 0.000 0.619 180 G HN 0.833 nan 8.290 nan 0.000 0.510 181 L N 1.035 122.304 121.223 0.076 0.000 2.335 181 L HA 0.809 5.149 4.340 0.000 0.000 0.268 181 L C 0.579 177.424 176.870 -0.041 0.000 1.016 181 L CA -0.397 54.467 54.840 0.040 0.000 0.805 181 L CB 2.002 44.078 42.059 0.029 0.000 1.311 181 L HN 0.330 nan 8.230 nan 0.000 0.456 182 T N -2.888 111.639 114.554 -0.045 0.000 2.886 182 T HA 0.567 4.918 4.350 0.000 0.000 0.292 182 T C 0.535 175.203 174.700 -0.054 0.000 1.012 182 T CA -0.081 61.987 62.100 -0.054 0.000 0.982 182 T CB 1.692 70.559 68.868 -0.001 0.000 1.018 182 T HN 1.004 nan 8.240 nan 0.000 0.451 183 G N 1.288 110.046 108.800 -0.069 0.000 2.212 183 G HA2 -0.237 3.723 3.960 0.000 0.000 0.266 183 G HA3 -0.237 3.723 3.960 0.000 0.000 0.266 183 G C 0.021 174.936 174.900 0.024 0.000 0.978 183 G CA 0.067 45.212 45.100 0.075 0.000 0.632 183 G HN 1.159 nan 8.290 nan 0.000 0.537 184 V N 0.997 120.777 119.914 -0.222 0.000 2.370 184 V HA 0.682 4.803 4.120 0.000 0.000 0.279 184 V C -0.366 175.533 176.094 -0.325 0.000 1.029 184 V CA -0.778 61.453 62.300 -0.114 0.000 0.870 184 V CB 0.982 32.758 31.823 -0.077 0.000 0.984 184 V HN 0.245 nan 8.190 nan 0.000 0.451 185 Y N 2.450 122.829 120.300 0.132 0.000 2.425 185 Y HA 0.506 5.056 4.550 0.000 0.000 0.344 185 Y C 0.161 176.156 175.900 0.157 0.000 0.969 185 Y CA -0.739 57.438 58.100 0.128 0.000 1.052 185 Y CB 1.785 40.287 38.460 0.071 0.000 1.215 185 Y HN 0.585 nan 8.280 nan 0.000 0.451 186 Q N 2.378 122.314 119.800 0.226 0.000 2.274 186 Q HA 0.518 4.859 4.340 0.000 0.000 0.256 186 Q C -1.089 174.869 176.000 -0.069 0.000 0.927 186 Q CA -0.660 55.114 55.803 -0.049 0.000 0.939 186 Q CB 1.071 29.717 28.738 -0.153 0.000 1.201 186 Q HN 0.633 nan 8.270 nan 0.000 0.426 187 V N 6.738 126.569 119.914 -0.140 0.000 2.673 187 V HA 0.117 4.238 4.120 0.000 0.000 0.303 187 V C -1.975 174.053 176.094 -0.110 0.000 1.046 187 V CA -1.012 61.234 62.300 -0.090 0.000 1.126 187 V CB 0.472 32.237 31.823 -0.098 0.000 0.934 187 V HN 0.848 nan 8.190 nan 0.000 0.487 188 P HA 0.291 nan 4.420 nan 0.000 0.272 188 P C -0.455 176.814 177.300 -0.052 0.000 1.230 188 P CA -0.232 62.833 63.100 -0.058 0.000 0.788 188 P CB 0.499 32.183 31.700 -0.026 0.000 0.949 189 A N 1.515 124.315 122.820 -0.033 0.000 2.386 189 A HA 0.472 4.792 4.320 0.000 0.000 0.248 189 A C 1.180 178.836 177.584 0.120 0.000 1.082 189 A CA 0.281 52.338 52.037 0.033 0.000 0.789 189 A CB -1.260 17.819 19.000 0.131 0.000 1.025 189 A HN 0.853 nan 8.150 nan 0.000 0.490 190 G N -0.520 108.363 108.800 0.137 0.000 2.393 190 G HA2 0.267 4.228 3.960 0.000 0.000 0.299 190 G HA3 0.267 4.228 3.960 0.000 0.000 0.299 190 G C 0.253 175.270 174.900 0.195 0.000 0.990 190 G CA 0.873 46.124 45.100 0.252 0.000 1.118 190 G HN 2.286 nan 8.290 nan 0.000 0.513 191 A N -1.421 121.450 122.820 0.085 0.000 2.594 191 A HA 0.948 5.268 4.320 0.000 0.000 0.291 191 A C -0.625 176.951 177.584 -0.014 0.000 1.105 191 A CA -0.040 52.038 52.037 0.069 0.000 0.694 191 A CB 2.452 21.476 19.000 0.041 0.000 1.291 191 A HN 1.829 nan 8.150 nan 0.000 0.410 192 V N 2.155 122.089 119.914 0.034 0.000 2.525 192 V HA 0.647 4.767 4.120 0.000 0.000 0.299 192 V C -0.933 175.205 176.094 0.073 0.000 1.034 192 V CA -0.524 61.759 62.300 -0.029 0.000 0.863 192 V CB 1.409 33.258 31.823 0.042 0.000 0.999 192 V HN 0.878 nan 8.190 nan 0.000 0.423 193 M N 5.647 125.265 119.600 0.030 0.000 2.113 193 M HA 0.443 4.923 4.480 0.000 0.000 0.352 193 M C -0.865 175.485 176.300 0.083 0.000 1.170 193 M CA -0.333 55.000 55.300 0.056 0.000 1.053 193 M CB 1.259 33.873 32.600 0.023 0.000 1.601 193 M HN 0.586 nan 8.290 nan 0.000 0.459 194 D N 4.992 125.464 120.400 0.119 0.000 2.396 194 D HA 0.462 5.103 4.640 0.000 0.000 0.225 194 D C -1.126 175.222 176.300 0.080 0.000 1.121 194 D CA -0.084 53.984 54.000 0.114 0.000 0.853 194 D CB 0.566 41.465 40.800 0.165 0.000 1.043 194 D HN 0.477 nan 8.370 nan 0.000 0.500 195 I N 2.287 122.897 120.570 0.066 0.000 2.441 195 I HA 0.193 4.363 4.170 0.000 0.000 0.295 195 I C -0.049 176.100 176.117 0.054 0.000 0.994 195 I CA -1.038 60.297 61.300 0.058 0.000 1.144 195 I CB 1.950 39.981 38.000 0.052 0.000 1.314 195 I HN 0.184 nan 8.210 nan 0.000 0.445 196 D N 4.945 125.378 120.400 0.054 0.000 2.380 196 D HA 0.145 4.785 4.640 0.000 0.000 0.230 196 D C 0.740 177.071 176.300 0.051 0.000 1.154 196 D CA -0.384 53.644 54.000 0.048 0.000 0.859 196 D CB 1.192 42.018 40.800 0.044 0.000 1.045 196 D HN 0.396 nan 8.370 nan 0.000 0.495 197 L N 4.623 125.872 121.223 0.043 0.000 2.013 197 L HA 0.021 4.361 4.340 0.000 0.000 0.212 197 L C 2.067 178.965 176.870 0.047 0.000 1.073 197 L CA 2.477 57.342 54.840 0.041 0.000 0.753 197 L CB -0.898 41.179 42.059 0.030 0.000 0.890 197 L HN 0.613 nan 8.230 nan 0.000 0.432 198 G N -1.591 107.234 108.800 0.041 0.000 2.421 198 G HA2 -0.298 3.662 3.960 0.000 0.000 0.216 198 G HA3 -0.298 3.662 3.960 0.000 0.000 0.216 198 G C 1.567 176.498 174.900 0.052 0.000 1.171 198 G CA 1.120 46.244 45.100 0.040 0.000 0.775 198 G HN 0.596 nan 8.290 nan 0.000 0.543 199 S N -0.714 115.019 115.700 0.054 0.000 2.501 199 S HA 0.346 4.816 4.470 0.000 0.000 0.220 199 S C 1.896 176.557 174.600 0.101 0.000 0.997 199 S CA 1.066 59.300 58.200 0.056 0.000 0.919 199 S CB -0.044 63.175 63.200 0.033 0.000 0.778 199 S HN 1.603 nan 8.310 nan 0.000 0.523 200 G N 1.779 110.656 108.800 0.130 0.000 2.160 200 G HA2 -0.243 3.717 3.960 0.000 0.000 0.251 200 G HA3 -0.243 3.717 3.960 0.000 0.000 0.251 200 G C 0.135 175.175 174.900 0.233 0.000 1.008 200 G CA 0.548 45.785 45.100 0.228 0.000 0.724 200 G HN 1.235 nan 8.290 nan 0.000 0.514 201 T N -2.535 112.087 114.554 0.114 0.000 2.925 201 T HA 0.967 5.317 4.350 0.000 0.000 0.285 201 T C 0.006 174.744 174.700 0.063 0.000 1.021 201 T CA 0.380 62.523 62.100 0.071 0.000 1.042 201 T CB 2.652 71.532 68.868 0.021 0.000 1.037 201 T HN 1.872 nan 8.240 nan 0.000 0.481 202 A N 0.988 123.835 122.820 0.045 0.000 2.602 202 A HA 0.875 5.195 4.320 0.000 0.000 0.290 202 A C -1.191 176.397 177.584 0.007 0.000 1.114 202 A CA -0.808 51.250 52.037 0.035 0.000 0.683 202 A CB 1.781 20.804 19.000 0.039 0.000 1.281 202 A HN 1.501 nan 8.150 nan 0.000 0.416 203 V N 0.109 120.021 119.914 -0.002 0.000 2.841 203 V HA 0.765 4.885 4.120 0.000 0.000 0.310 203 V C -0.800 175.227 176.094 -0.112 0.000 1.090 203 V CA -0.077 62.178 62.300 -0.075 0.000 0.930 203 V CB 2.257 34.025 31.823 -0.090 0.000 1.014 203 V HN 1.058 nan 8.190 nan 0.000 0.425 204 T N 5.747 120.197 114.554 -0.173 0.000 2.824 204 T HA 0.609 4.959 4.350 0.000 0.000 0.280 204 T C -0.909 173.646 174.700 -0.241 0.000 0.995 204 T CA -0.258 61.770 62.100 -0.120 0.000 1.009 204 T CB 0.455 69.294 68.868 -0.048 0.000 0.955 204 T HN 0.726 nan 8.240 nan 0.000 0.452 205 H N 2.737 121.835 119.070 0.046 0.000 2.505 205 H HA 0.352 4.908 4.556 0.000 0.000 0.338 205 H C 0.004 175.386 175.328 0.090 0.000 1.057 205 H CA -0.909 55.181 56.048 0.071 0.000 1.202 205 H CB 1.218 31.024 29.762 0.075 0.000 1.466 205 H HN 0.189 nan 8.280 nan 0.000 0.499 206 R N 1.671 122.283 120.500 0.188 0.000 2.389 206 R HA 0.081 4.421 4.340 0.000 0.000 0.295 206 R C 0.931 177.369 176.300 0.230 0.000 1.075 206 R CA -0.136 56.070 56.100 0.177 0.000 1.005 206 R CB 0.461 30.836 30.300 0.125 0.000 0.987 206 R HN 0.727 nan 8.270 nan 0.000 0.452 207 T N -2.029 112.688 114.554 0.273 0.000 3.085 207 T HA 0.246 4.596 4.350 0.000 0.000 0.264 207 T C -0.007 174.943 174.700 0.417 0.000 1.019 207 T CA -0.578 61.713 62.100 0.318 0.000 0.910 207 T CB 0.103 69.176 68.868 0.341 0.000 1.059 207 T HN 0.641 nan 8.240 nan 0.000 0.542 208 W N 0.321 121.717 121.300 0.159 0.000 3.338 208 W HA 0.500 5.160 4.660 0.000 0.000 0.299 208 W C -2.247 174.363 176.519 0.151 0.000 1.226 208 W CA -0.444 56.996 57.345 0.158 0.000 1.183 208 W CB 0.763 30.351 29.460 0.214 0.000 1.360 208 W HN 0.032 nan 8.180 nan 0.000 0.569 209 T N 4.522 118.583 114.554 -0.821 0.000 3.012 209 T HA 0.505 4.855 4.350 0.000 0.000 0.330 209 T C -2.909 171.030 174.700 -1.268 0.000 1.321 209 T CA -1.036 60.619 62.100 -0.741 0.000 1.067 209 T CB 1.420 70.112 68.868 -0.293 0.000 1.235 209 T HN 0.167 nan 8.240 nan 0.000 0.479 210 P HA 0.295 nan 4.420 nan 0.000 0.265 210 P C 0.022 177.116 177.300 -0.343 0.000 1.193 210 P CA -0.033 62.722 63.100 -0.574 0.000 0.765 210 P CB 0.335 31.958 31.700 -0.128 0.000 0.823 211 G N 2.165 110.822 108.800 -0.237 0.000 2.406 211 G HA2 0.178 4.138 3.960 0.000 0.000 0.251 211 G HA3 0.178 4.138 3.960 0.000 0.000 0.251 211 G C 0.646 175.495 174.900 -0.086 0.000 1.271 211 G CA -0.410 44.605 45.100 -0.141 0.000 0.859 211 G HN 0.501 nan 8.290 nan 0.000 0.540 212 L N 1.725 122.907 121.223 -0.069 0.000 2.463 212 L HA 0.118 4.459 4.340 0.000 0.000 0.219 212 L C 1.678 178.530 176.870 -0.030 0.000 1.088 212 L CA 0.190 55.005 54.840 -0.042 0.000 0.849 212 L CB -0.231 41.806 42.059 -0.037 0.000 1.012 212 L HN 0.585 nan 8.230 nan 0.000 0.468 213 S N 0.151 115.832 115.700 -0.032 0.000 2.652 213 S HA 0.524 4.995 4.470 0.000 0.000 0.270 213 S C -0.014 174.575 174.600 -0.019 0.000 1.243 213 S CA -0.827 57.359 58.200 -0.023 0.000 0.999 213 S CB 1.660 64.848 63.200 -0.021 0.000 0.973 213 S HN 0.067 nan 8.310 nan 0.000 0.544 214 R N 0.595 121.086 120.500 -0.014 0.000 2.686 214 R HA 0.480 4.820 4.340 0.000 0.000 0.286 214 R C -0.518 175.778 176.300 -0.006 0.000 0.969 214 R CA -0.716 55.377 56.100 -0.011 0.000 0.898 214 R CB 1.849 32.142 30.300 -0.013 0.000 1.183 214 R HN 0.875 nan 8.270 nan 0.000 0.456 215 R N 2.195 122.694 120.500 -0.001 0.000 2.407 215 R HA 0.485 4.826 4.340 0.000 0.000 0.303 215 R C -0.514 175.790 176.300 0.008 0.000 0.981 215 R CA -0.404 55.698 56.100 0.004 0.000 0.905 215 R CB 0.814 31.120 30.300 0.008 0.000 1.099 215 R HN 0.572 nan 8.270 nan 0.000 0.459 216 I N 5.760 126.335 120.570 0.007 0.000 2.336 216 I HA 0.297 4.467 4.170 0.000 0.000 0.292 216 I C -0.571 175.557 176.117 0.018 0.000 0.991 216 I CA -0.567 60.739 61.300 0.009 0.000 1.227 216 I CB 1.226 39.228 38.000 0.003 0.000 1.366 216 I HN 0.467 nan 8.210 nan 0.000 0.466 217 L N 8.145 129.385 121.223 0.028 0.000 2.431 217 L HA 0.515 4.856 4.340 0.000 0.000 0.266 217 L C -2.311 174.589 176.870 0.051 0.000 0.978 217 L CA -1.803 53.060 54.840 0.039 0.000 0.822 217 L CB 2.716 44.804 42.059 0.049 0.000 1.310 217 L HN 0.367 nan 8.230 nan 0.000 0.409 218 P HA 0.093 nan 4.420 nan 0.000 0.272 218 P C 0.261 177.621 177.300 0.100 0.000 1.223 218 P CA -0.170 62.964 63.100 0.057 0.000 0.784 218 P CB 1.126 32.853 31.700 0.046 0.000 0.923 219 E N 1.891 122.167 120.200 0.127 0.000 2.082 219 E HA -0.272 4.079 4.350 0.000 0.000 0.215 219 E C 2.132 178.876 176.600 0.240 0.000 1.048 219 E CA 2.238 58.790 56.400 0.254 0.000 0.869 219 E CB -0.918 28.939 29.700 0.261 0.000 0.773 219 E HN 0.765 nan 8.360 nan 0.000 0.466 220 G N 0.935 109.834 108.800 0.165 0.000 2.469 220 G HA2 -0.307 3.653 3.960 0.000 0.000 0.219 220 G HA3 -0.307 3.653 3.960 0.000 0.000 0.219 220 G C 1.463 176.415 174.900 0.085 0.000 1.150 220 G CA 0.725 45.895 45.100 0.116 0.000 0.763 220 G HN 0.132 nan 8.290 nan 0.000 0.561 221 E N 0.620 120.867 120.200 0.079 0.000 2.047 221 E HA -0.042 4.309 4.350 0.000 0.000 0.191 221 E C 2.987 179.624 176.600 0.060 0.000 0.987 221 E CA 0.987 57.422 56.400 0.058 0.000 0.799 221 E CB -0.387 29.343 29.700 0.050 0.000 0.752 221 E HN 0.328 nan 8.360 nan 0.000 0.449 222 A N 0.856 123.728 122.820 0.086 0.000 1.858 222 A HA -0.152 4.168 4.320 0.000 0.000 0.216 222 A C 2.606 180.224 177.584 0.056 0.000 1.190 222 A CA 1.662 53.750 52.037 0.085 0.000 0.617 222 A CB -0.905 18.179 19.000 0.139 0.000 0.827 222 A HN 0.144 nan 8.150 nan 0.000 0.443 223 V N -0.015 119.932 119.914 0.055 0.000 2.324 223 V HA -0.321 3.800 4.120 0.000 0.000 0.250 223 V C 3.046 179.129 176.094 -0.018 0.000 1.060 223 V CA 2.213 64.494 62.300 -0.031 0.000 1.042 223 V CB -1.247 30.539 31.823 -0.061 0.000 0.650 223 V HN 0.642 nan 8.190 nan 0.000 0.450 224 A N -0.443 122.383 122.820 0.009 0.000 1.930 224 A HA -0.036 4.284 4.320 0.000 0.000 0.217 224 A C 2.383 179.971 177.584 0.007 0.000 1.175 224 A CA 1.909 53.950 52.037 0.008 0.000 0.627 224 A CB -0.628 18.383 19.000 0.018 0.000 0.815 224 A HN 0.581 nan 8.150 nan 0.000 0.443 225 A N -0.615 122.213 122.820 0.014 0.000 1.897 225 A HA 0.067 4.387 4.320 0.000 0.000 0.215 225 A C 2.198 179.786 177.584 0.006 0.000 1.181 225 A CA 1.583 53.628 52.037 0.012 0.000 0.620 225 A CB -0.794 18.218 19.000 0.019 0.000 0.821 225 A HN 0.336 nan 8.150 nan 0.000 0.443 226 V N 0.193 120.110 119.914 0.005 0.000 2.343 226 V HA -0.229 3.891 4.120 0.000 0.000 0.247 226 V C 2.697 178.790 176.094 -0.002 0.000 1.051 226 V CA 2.365 64.668 62.300 0.005 0.000 1.036 226 V CB -0.770 31.053 31.823 -0.001 0.000 0.654 226 V HN 0.648 nan 8.190 nan 0.000 0.451 227 R N 1.159 121.652 120.500 -0.012 0.000 2.075 227 R HA -0.052 4.288 4.340 0.000 0.000 0.232 227 R C 2.109 178.401 176.300 -0.014 0.000 1.126 227 R CA 1.965 58.056 56.100 -0.015 0.000 0.963 227 R CB -0.991 29.298 30.300 -0.019 0.000 0.858 227 R HN 0.425 nan 8.270 nan 0.000 0.435 228 A N 0.154 122.968 122.820 -0.010 0.000 1.930 228 A HA 0.049 4.369 4.320 0.000 0.000 0.217 228 A C 2.349 179.924 177.584 -0.015 0.000 1.175 228 A CA 1.605 53.636 52.037 -0.009 0.000 0.627 228 A CB -0.944 18.055 19.000 -0.003 0.000 0.815 228 A HN 0.477 nan 8.150 nan 0.000 0.443 229 A N -0.584 122.227 122.820 -0.014 0.000 1.898 229 A HA 0.028 4.349 4.320 0.000 0.000 0.216 229 A C 2.110 179.668 177.584 -0.044 0.000 1.181 229 A CA 1.641 53.666 52.037 -0.021 0.000 0.620 229 A CB -0.548 18.445 19.000 -0.012 0.000 0.819 229 A HN 0.612 nan 8.150 nan 0.000 0.442 230 L N -0.043 121.149 121.223 -0.051 0.000 2.027 230 L HA -0.104 4.236 4.340 0.000 0.000 0.206 230 L C 2.218 179.031 176.870 -0.095 0.000 1.074 230 L CA 2.114 56.894 54.840 -0.101 0.000 0.745 230 L CB -0.643 41.357 42.059 -0.099 0.000 0.898 230 L HN 0.384 nan 8.230 nan 0.000 0.433 231 E N -0.043 120.122 120.200 -0.058 0.000 2.085 231 E HA -0.306 4.044 4.350 0.000 0.000 0.194 231 E C 2.168 178.739 176.600 -0.048 0.000 0.994 231 E CA 1.529 57.901 56.400 -0.046 0.000 0.801 231 E CB -0.172 29.514 29.700 -0.025 0.000 0.743 231 E HN 0.537 nan 8.360 nan 0.000 0.453 232 K N 0.636 121.010 120.400 -0.043 0.000 2.026 232 K HA -0.098 4.222 4.320 0.000 0.000 0.208 232 K C 2.159 178.724 176.600 -0.058 0.000 1.048 232 K CA 1.219 57.484 56.287 -0.037 0.000 0.929 232 K CB -0.109 32.377 32.500 -0.023 0.000 0.713 232 K HN 0.052 nan 8.250 nan 0.000 0.439 233 A N 0.564 123.333 122.820 -0.084 0.000 1.940 233 A HA -0.119 4.201 4.320 0.000 0.000 0.219 233 A C 2.237 179.712 177.584 -0.182 0.000 1.176 233 A CA 1.660 53.617 52.037 -0.134 0.000 0.631 233 A CB -0.627 18.289 19.000 -0.140 0.000 0.814 233 A HN 0.196 nan 8.150 nan 0.000 0.446 234 V N -0.353 119.475 119.914 -0.143 0.000 2.307 234 V HA -0.202 3.919 4.120 0.000 0.000 0.245 234 V C 3.063 179.104 176.094 -0.089 0.000 1.045 234 V CA 1.841 64.066 62.300 -0.126 0.000 1.024 234 V CB -1.090 30.675 31.823 -0.098 0.000 0.651 234 V HN 0.615 nan 8.190 nan 0.000 0.449 235 A N -0.918 121.865 122.820 -0.061 0.000 1.940 235 A HA -0.310 4.010 4.320 0.000 0.000 0.219 235 A C 2.122 179.695 177.584 -0.019 0.000 1.176 235 A CA 2.012 54.031 52.037 -0.031 0.000 0.631 235 A CB -0.501 18.486 19.000 -0.021 0.000 0.814 235 A HN 0.643 nan 8.150 nan 0.000 0.446 236 Q N -0.984 118.793 119.800 -0.038 0.000 2.224 236 Q HA -0.073 4.268 4.340 0.000 0.000 0.203 236 Q C 1.804 177.810 176.000 0.010 0.000 0.970 236 Q CA 1.137 56.947 55.803 0.011 0.000 0.865 236 Q CB -0.054 28.690 28.738 0.010 0.000 0.922 236 Q HN 0.616 nan 8.270 nan 0.000 0.445 237 R N -0.329 120.095 120.500 -0.126 0.000 2.317 237 R HA 0.142 4.482 4.340 0.000 0.000 0.208 237 R C -0.448 175.881 176.300 0.048 0.000 0.914 237 R CA -0.077 55.974 56.100 -0.081 0.000 1.060 237 R CB 0.818 30.977 30.300 -0.235 0.000 1.015 237 R HN -0.058 nan 8.270 nan 0.000 0.498 238 V N 1.522 121.458 119.914 0.037 0.000 2.398 238 V HA 0.160 4.280 4.120 0.000 0.000 0.286 238 V C 0.178 176.307 176.094 0.057 0.000 1.026 238 V CA -0.579 61.750 62.300 0.048 0.000 0.868 238 V CB 1.817 33.651 31.823 0.020 0.000 0.982 238 V HN 0.083 nan 8.190 nan 0.000 0.443 239 T N 8.004 122.598 114.554 0.066 0.000 2.814 239 T HA 0.245 4.596 4.350 0.000 0.000 0.297 239 T C -2.412 172.309 174.700 0.034 0.000 0.956 239 T CA -0.773 61.359 62.100 0.053 0.000 1.123 239 T CB 0.903 69.804 68.868 0.055 0.000 0.902 239 T HN 0.433 nan 8.240 nan 0.000 0.528 240 P HA 0.223 nan 4.420 nan 0.000 0.263 240 P C 1.056 178.365 177.300 0.014 0.000 1.195 240 P CA 0.781 63.890 63.100 0.015 0.000 0.762 240 P CB 0.311 32.017 31.700 0.011 0.000 0.799 241 G N 2.163 110.969 108.800 0.010 0.000 2.199 241 G HA2 -0.229 3.731 3.960 0.000 0.000 0.254 241 G HA3 -0.229 3.731 3.960 0.000 0.000 0.254 241 G C -0.071 174.839 174.900 0.018 0.000 0.982 241 G CA 0.189 45.295 45.100 0.011 0.000 0.632 241 G HN 0.647 nan 8.290 nan 0.000 0.529 242 D N 0.428 120.843 120.400 0.025 0.000 2.375 242 D HA 0.598 5.239 4.640 0.000 0.000 0.247 242 D C 0.152 176.474 176.300 0.037 0.000 1.061 242 D CA -0.179 53.842 54.000 0.035 0.000 0.834 242 D CB 1.113 41.941 40.800 0.046 0.000 1.247 242 D HN -0.018 nan 8.370 nan 0.000 0.489 243 T N 5.694 120.272 114.554 0.039 0.000 2.780 243 T HA 0.370 4.721 4.350 0.000 0.000 0.294 243 T C -2.183 172.549 174.700 0.053 0.000 0.949 243 T CA -0.992 61.133 62.100 0.041 0.000 1.074 243 T CB 1.274 70.167 68.868 0.042 0.000 0.910 243 T HN 0.367 nan 8.240 nan 0.000 0.501 244 P HA 0.387 nan 4.420 nan 0.000 0.278 244 P C -1.024 176.312 177.300 0.060 0.000 1.258 244 P CA -0.843 62.295 63.100 0.063 0.000 0.811 244 P CB 0.947 32.682 31.700 0.059 0.000 1.063 245 L N 1.984 123.240 121.223 0.055 0.000 2.296 245 L HA 0.423 4.763 4.340 0.000 0.000 0.286 245 L C -0.997 175.903 176.870 0.051 0.000 1.023 245 L CA -0.624 54.243 54.840 0.045 0.000 0.812 245 L CB 1.411 43.481 42.059 0.019 0.000 1.223 245 L HN 0.047 nan 8.230 nan 0.000 0.421 246 V N 5.638 125.591 119.914 0.065 0.000 2.417 246 V HA 0.374 4.494 4.120 0.000 0.000 0.291 246 V C -0.224 175.922 176.094 0.088 0.000 1.024 246 V CA -0.818 61.529 62.300 0.077 0.000 0.861 246 V CB 1.866 33.739 31.823 0.083 0.000 0.985 246 V HN 0.619 nan 8.190 nan 0.000 0.436 247 V N 4.694 124.666 119.914 0.097 0.000 2.415 247 V HA 0.453 4.573 4.120 0.000 0.000 0.267 247 V C -0.146 176.014 176.094 0.109 0.000 1.042 247 V CA -0.133 62.222 62.300 0.091 0.000 1.000 247 V CB 0.581 32.459 31.823 0.091 0.000 1.015 247 V HN 0.693 nan 8.190 nan 0.000 0.478 248 L N 5.077 126.376 121.223 0.126 0.000 2.307 248 L HA 0.525 4.865 4.340 0.000 0.000 0.284 248 L C 1.129 178.086 176.870 0.145 0.000 1.023 248 L CA 0.079 55.004 54.840 0.141 0.000 0.810 248 L CB 2.390 44.552 42.059 0.172 0.000 1.231 248 L HN 0.963 nan 8.230 nan 0.000 0.423 249 S N 0.920 116.686 115.700 0.110 0.000 2.549 249 S HA 0.244 4.714 4.470 0.000 0.000 0.225 249 S C 1.067 175.712 174.600 0.075 0.000 1.039 249 S CA 0.389 58.645 58.200 0.094 0.000 0.942 249 S CB 0.906 64.146 63.200 0.067 0.000 0.881 249 S HN 1.064 nan 8.310 nan 0.000 0.503 250 G N 0.652 109.489 108.800 0.062 0.000 2.194 250 G HA2 -0.077 3.883 3.960 0.000 0.000 0.236 250 G HA3 -0.077 3.883 3.960 0.000 0.000 0.236 250 G C 0.516 175.429 174.900 0.021 0.000 0.987 250 G CA -0.096 45.025 45.100 0.034 0.000 0.635 250 G HN 1.099 nan 8.290 nan 0.000 0.520 251 G N -0.509 108.308 108.800 0.029 0.000 2.599 251 G HA2 0.539 4.499 3.960 0.000 0.000 0.264 251 G HA3 0.539 4.499 3.960 0.000 0.000 0.264 251 G C 1.143 176.053 174.900 0.018 0.000 1.200 251 G CA 0.114 45.224 45.100 0.016 0.000 0.896 251 G HN 0.670 nan 8.290 nan 0.000 0.536 252 I N -0.129 120.442 120.570 0.003 0.000 2.286 252 I HA -0.121 4.049 4.170 0.000 0.000 0.248 252 I C 2.009 178.152 176.117 0.042 0.000 1.115 252 I CA 1.564 62.866 61.300 0.004 0.000 1.392 252 I CB -0.200 37.787 38.000 -0.021 0.000 1.065 252 I HN 0.463 nan 8.210 nan 0.000 0.418 253 D N 0.144 120.558 120.400 0.023 0.000 2.087 253 D HA -0.187 4.453 4.640 0.000 0.000 0.192 253 D C 2.475 178.932 176.300 0.262 0.000 0.993 253 D CA 2.112 56.162 54.000 0.084 0.000 0.828 253 D CB -0.725 40.032 40.800 -0.071 0.000 0.968 253 D HN 0.513 nan 8.370 nan 0.000 0.448 254 S N 0.116 115.919 115.700 0.172 0.000 2.383 254 S HA -0.087 4.384 4.470 0.000 0.000 0.227 254 S C 2.150 176.822 174.600 0.121 0.000 1.026 254 S CA 1.196 59.493 58.200 0.163 0.000 0.981 254 S CB -0.382 62.896 63.200 0.129 0.000 0.818 254 S HN 0.054 nan 8.310 nan 0.000 0.472 255 S N 2.039 117.793 115.700 0.090 0.000 2.368 255 S HA 0.034 4.504 4.470 0.000 0.000 0.225 255 S C 2.173 176.811 174.600 0.062 0.000 1.030 255 S CA 1.152 59.385 58.200 0.056 0.000 0.999 255 S CB -1.219 61.994 63.200 0.021 0.000 0.844 255 S HN 0.761 nan 8.310 nan 0.000 0.459 256 G N 1.289 110.144 108.800 0.092 0.000 2.418 256 G HA2 -0.161 3.799 3.960 0.000 0.000 0.217 256 G HA3 -0.161 3.799 3.960 0.000 0.000 0.217 256 G C 1.446 176.382 174.900 0.059 0.000 1.158 256 G CA 1.008 46.162 45.100 0.090 0.000 0.771 256 G HN 0.426 nan 8.290 nan 0.000 0.545 257 V N 1.415 121.370 119.914 0.069 0.000 2.358 257 V HA -0.086 4.034 4.120 0.000 0.000 0.246 257 V C 3.313 179.428 176.094 0.035 0.000 1.047 257 V CA 1.931 64.235 62.300 0.006 0.000 1.035 257 V CB -0.749 31.087 31.823 0.021 0.000 0.658 257 V HN 0.474 nan 8.190 nan 0.000 0.452 258 A N 0.080 122.938 122.820 0.063 0.000 1.902 258 A HA -0.144 4.176 4.320 0.000 0.000 0.217 258 A C 2.428 180.065 177.584 0.089 0.000 1.181 258 A CA 2.143 54.225 52.037 0.074 0.000 0.623 258 A CB -0.803 18.239 19.000 0.070 0.000 0.818 258 A HN 0.569 nan 8.150 nan 0.000 0.443 259 A N -1.151 121.713 122.820 0.074 0.000 1.902 259 A HA -0.177 4.143 4.320 0.000 0.000 0.217 259 A C 2.284 179.926 177.584 0.097 0.000 1.181 259 A CA 1.747 53.838 52.037 0.091 0.000 0.623 259 A CB -1.189 17.849 19.000 0.064 0.000 0.818 259 A HN 0.605 nan 8.150 nan 0.000 0.443 260 C N -1.313 118.018 119.300 0.051 0.000 2.450 260 C HA 0.213 4.673 4.460 0.000 0.000 0.279 260 C C 3.269 178.274 174.990 0.025 0.000 1.335 260 C CA 0.507 59.539 59.018 0.023 0.000 1.749 260 C CB -1.140 26.587 27.740 -0.023 0.000 1.963 260 C HN 0.702 nan 8.230 nan 0.000 0.501 261 A N 0.002 122.846 122.820 0.041 0.000 1.897 261 A HA -0.190 4.130 4.320 0.000 0.000 0.215 261 A C 1.859 179.479 177.584 0.060 0.000 1.181 261 A CA 1.984 54.045 52.037 0.039 0.000 0.620 261 A CB -0.955 18.073 19.000 0.046 0.000 0.821 261 A HN 0.725 nan 8.150 nan 0.000 0.443 262 H N -0.066 119.013 119.070 0.016 0.000 2.319 262 H HA -0.129 4.427 4.556 0.000 0.000 0.299 262 H C 2.211 177.546 175.328 0.012 0.000 1.092 262 H CA 2.171 58.230 56.048 0.018 0.000 1.302 262 H CB -0.174 29.603 29.762 0.025 0.000 1.373 262 H HN 0.417 nan 8.280 nan 0.000 0.497 263 R N -0.032 120.452 120.500 -0.027 0.000 2.083 263 R HA -0.140 4.201 4.340 0.000 0.000 0.237 263 R C 2.375 178.618 176.300 -0.095 0.000 1.137 263 R CA 1.353 57.407 56.100 -0.077 0.000 0.951 263 R CB -0.511 29.791 30.300 0.003 0.000 0.851 263 R HN 0.443 nan 8.270 nan 0.000 0.434 264 A N 0.348 123.135 122.820 -0.055 0.000 1.902 264 A HA -0.056 4.264 4.320 0.000 0.000 0.217 264 A C 2.156 179.707 177.584 -0.055 0.000 1.181 264 A CA 1.715 53.725 52.037 -0.044 0.000 0.623 264 A CB -0.467 18.518 19.000 -0.024 0.000 0.818 264 A HN 0.524 nan 8.150 nan 0.000 0.443 265 A N -2.501 120.277 122.820 -0.070 0.000 2.195 265 A HA 0.425 4.745 4.320 0.000 0.000 0.210 265 A C 1.940 179.458 177.584 -0.110 0.000 1.165 265 A CA 1.176 53.175 52.037 -0.062 0.000 0.806 265 A CB -0.656 18.330 19.000 -0.023 0.000 0.847 265 A HN 1.840 nan 8.150 nan 0.000 0.482 266 G N -0.411 108.257 108.800 -0.220 0.000 2.234 266 G HA2 -0.293 3.667 3.960 0.000 0.000 0.260 266 G HA3 -0.293 3.667 3.960 0.000 0.000 0.260 266 G C 0.032 174.741 174.900 -0.318 0.000 0.987 266 G CA 1.031 45.972 45.100 -0.266 0.000 0.625 266 G HN 1.295 nan 8.290 nan 0.000 0.532 267 E N -1.942 118.125 120.200 -0.221 0.000 2.439 267 E HA 0.788 5.138 4.350 0.000 0.000 0.279 267 E C -1.617 175.072 176.600 0.148 0.000 1.077 267 E CA -1.206 55.214 56.400 0.034 0.000 0.849 267 E CB 1.405 31.138 29.700 0.056 0.000 1.408 267 E HN 0.905 nan 8.360 nan 0.000 0.457 268 L N 0.603 121.958 121.223 0.220 0.000 2.582 268 L HA 0.518 4.858 4.340 0.000 0.000 0.257 268 L C -2.194 174.744 176.870 0.113 0.000 0.974 268 L CA -0.293 54.644 54.840 0.162 0.000 0.851 268 L CB 2.408 44.593 42.059 0.209 0.000 1.424 268 L HN 0.644 nan 8.230 nan 0.000 0.412 269 D N 1.414 121.867 120.400 0.089 0.000 2.278 269 D HA 0.760 5.401 4.640 0.000 0.000 0.245 269 D C -0.716 175.632 176.300 0.081 0.000 1.052 269 D CA 0.146 54.189 54.000 0.073 0.000 0.834 269 D CB 2.046 42.876 40.800 0.050 0.000 1.194 269 D HN 0.693 nan 8.370 nan 0.000 0.481 270 T N -1.881 112.735 114.554 0.103 0.000 2.906 270 T HA 0.774 5.124 4.350 0.000 0.000 0.295 270 T C -0.824 173.897 174.700 0.034 0.000 1.075 270 T CA -0.966 61.219 62.100 0.141 0.000 1.005 270 T CB 1.776 70.806 68.868 0.270 0.000 1.136 270 T HN 0.157 nan 8.240 nan 0.000 0.498 271 V N 0.464 120.375 119.914 -0.004 0.000 2.932 271 V HA 0.744 4.864 4.120 0.000 0.000 0.307 271 V C -1.442 174.622 176.094 -0.049 0.000 1.147 271 V CA -0.337 61.850 62.300 -0.187 0.000 0.951 271 V CB 2.362 34.112 31.823 -0.122 0.000 1.031 271 V HN 1.215 nan 8.190 nan 0.000 0.426 272 S N 7.215 122.855 115.700 -0.100 0.000 2.521 272 S HA 0.691 5.161 4.470 0.000 0.000 0.295 272 S C -0.800 173.934 174.600 0.223 0.000 1.098 272 S CA -0.533 57.768 58.200 0.167 0.000 0.999 272 S CB 1.669 65.124 63.200 0.426 0.000 1.034 272 S HN 0.840 nan 8.310 nan 0.000 0.483 273 M N 2.831 122.562 119.600 0.219 0.000 2.436 273 M HA 0.721 5.201 4.480 0.000 0.000 0.331 273 M C -0.282 176.113 176.300 0.158 0.000 1.135 273 M CA -0.208 55.201 55.300 0.181 0.000 0.987 273 M CB 1.186 33.797 32.600 0.018 0.000 1.687 273 M HN 0.863 nan 8.290 nan 0.000 0.445 274 G N 1.850 110.735 108.800 0.143 0.000 2.695 274 G HA2 0.705 4.665 3.960 0.000 0.000 0.290 274 G HA3 0.705 4.665 3.960 0.000 0.000 0.290 274 G C -0.978 173.895 174.900 -0.044 0.000 1.410 274 G CA -0.328 44.682 45.100 -0.149 0.000 0.844 274 G HN 0.822 nan 8.290 nan 0.000 0.478 275 T N -2.729 111.767 114.554 -0.096 0.000 2.804 275 T HA 0.483 4.833 4.350 0.000 0.000 0.272 275 T C 0.507 175.186 174.700 -0.035 0.000 0.986 275 T CA 0.248 62.324 62.100 -0.040 0.000 0.999 275 T CB 1.861 70.705 68.868 -0.040 0.000 1.307 275 T HN 0.451 nan 8.240 nan 0.000 0.586 276 D N -0.302 120.089 120.400 -0.014 0.000 2.349 276 D HA 0.000 4.641 4.640 0.000 0.000 0.224 276 D C 1.613 177.902 176.300 -0.018 0.000 1.029 276 D CA 1.005 55.001 54.000 -0.006 0.000 0.879 276 D CB -0.472 40.330 40.800 0.003 0.000 0.906 276 D HN 0.712 nan 8.370 nan 0.000 0.528 277 T N -2.681 111.853 114.554 -0.032 0.000 3.085 277 T HA 0.138 4.488 4.350 0.000 0.000 0.241 277 T C 0.945 175.612 174.700 -0.056 0.000 0.988 277 T CA 0.380 62.461 62.100 -0.033 0.000 1.117 277 T CB 0.085 68.941 68.868 -0.021 0.000 0.978 277 T HN 0.189 nan 8.240 nan 0.000 0.454 278 S N 1.812 117.461 115.700 -0.084 0.000 2.569 278 S HA 0.717 5.187 4.470 0.000 0.000 0.280 278 S C -1.420 173.048 174.600 -0.221 0.000 1.111 278 S CA -0.877 57.250 58.200 -0.121 0.000 0.887 278 S CB 2.401 65.551 63.200 -0.084 0.000 1.095 278 S HN 0.866 nan 8.310 nan 0.000 0.476 279 N N 0.405 118.927 118.700 -0.296 0.000 3.046 279 N HA 0.280 5.020 4.740 0.000 0.000 0.243 279 N C -1.371 173.917 175.510 -0.370 0.000 1.452 279 N CA -0.798 51.927 53.050 -0.541 0.000 0.882 279 N CB 1.204 38.983 38.487 -1.181 0.000 1.425 279 N HN 0.753 nan 8.380 nan 0.000 0.517 280 E N -0.081 119.918 120.200 -0.335 0.000 2.887 280 E HA 0.254 4.605 4.350 0.000 0.000 0.206 280 E C 0.239 176.887 176.600 0.079 0.000 0.983 280 E CA -0.357 55.991 56.400 -0.088 0.000 1.141 280 E CB 0.123 29.808 29.700 -0.025 0.000 1.061 280 E HN 0.436 nan 8.360 nan 0.000 0.468 281 F N 1.262 121.233 119.950 0.035 0.000 2.115 281 F HA -0.293 4.234 4.527 0.000 0.000 0.300 281 F C 2.721 178.531 175.800 0.016 0.000 1.092 281 F CA 0.976 59.006 58.000 0.050 0.000 1.245 281 F CB -0.099 38.934 39.000 0.055 0.000 0.995 281 F HN 0.121 nan 8.300 nan 0.000 0.481 282 R N 0.950 121.569 120.500 0.199 0.000 2.082 282 R HA -0.215 4.125 4.340 0.000 0.000 0.234 282 R C 1.968 178.301 176.300 0.056 0.000 1.136 282 R CA 2.231 58.389 56.100 0.098 0.000 0.935 282 R CB -0.264 30.074 30.300 0.063 0.000 0.842 282 R HN 0.169 nan 8.270 nan 0.000 0.430 283 E N 0.320 120.549 120.200 0.048 0.000 2.085 283 E HA -0.181 4.170 4.350 0.000 0.000 0.194 283 E C 1.841 178.450 176.600 0.014 0.000 0.994 283 E CA 1.649 58.063 56.400 0.023 0.000 0.801 283 E CB -0.288 29.424 29.700 0.019 0.000 0.743 283 E HN 0.509 nan 8.360 nan 0.000 0.453 284 A N 0.958 123.802 122.820 0.041 0.000 1.877 284 A HA -0.185 4.135 4.320 0.000 0.000 0.216 284 A C 2.056 179.568 177.584 -0.120 0.000 1.186 284 A CA 1.562 53.598 52.037 -0.001 0.000 0.620 284 A CB -0.413 18.642 19.000 0.090 0.000 0.822 284 A HN 0.087 nan 8.150 nan 0.000 0.443 285 R N -0.433 119.996 120.500 -0.118 0.000 2.139 285 R HA -0.150 4.190 4.340 0.000 0.000 0.243 285 R C 2.405 178.648 176.300 -0.095 0.000 1.145 285 R CA 1.135 57.138 56.100 -0.162 0.000 0.976 285 R CB -0.522 29.734 30.300 -0.073 0.000 0.866 285 R HN 0.541 nan 8.270 nan 0.000 0.449 286 A N 0.633 123.423 122.820 -0.049 0.000 1.908 286 A HA -0.146 4.174 4.320 0.000 0.000 0.218 286 A C 2.333 179.904 177.584 -0.022 0.000 1.181 286 A CA 1.645 53.666 52.037 -0.026 0.000 0.627 286 A CB -0.496 18.489 19.000 -0.024 0.000 0.818 286 A HN 0.139 nan 8.150 nan 0.000 0.445 287 V N -0.572 119.314 119.914 -0.046 0.000 2.453 287 V HA -0.179 3.941 4.120 0.000 0.000 0.247 287 V C 2.541 178.614 176.094 -0.036 0.000 1.048 287 V CA 1.658 63.939 62.300 -0.032 0.000 1.049 287 V CB -0.621 31.179 31.823 -0.038 0.000 0.672 287 V HN 0.364 nan 8.190 nan 0.000 0.457 288 V N 0.520 120.365 119.914 -0.115 0.000 2.332 288 V HA -0.271 3.850 4.120 0.000 0.000 0.248 288 V C 2.273 178.320 176.094 -0.078 0.000 1.055 288 V CA 2.301 64.515 62.300 -0.143 0.000 1.038 288 V CB -0.662 30.975 31.823 -0.309 0.000 0.651 288 V HN 0.582 nan 8.190 nan 0.000 0.450 289 D N -1.240 119.128 120.400 -0.053 0.000 2.149 289 D HA -0.155 4.485 4.640 0.000 0.000 0.201 289 D C 2.044 178.333 176.300 -0.018 0.000 0.972 289 D CA 1.510 55.492 54.000 -0.030 0.000 0.835 289 D CB -0.338 40.453 40.800 -0.014 0.000 0.966 289 D HN 0.598 nan 8.370 nan 0.000 0.476 290 H N -0.215 118.807 119.070 -0.081 0.000 2.387 290 H HA -0.054 4.502 4.556 0.000 0.000 0.299 290 H C 1.502 176.758 175.328 -0.120 0.000 1.090 290 H CA 1.150 57.150 56.048 -0.079 0.000 1.332 290 H CB 0.129 29.851 29.762 -0.066 0.000 1.386 290 H HN -0.033 nan 8.280 nan 0.000 0.516 291 L N -0.198 120.966 121.223 -0.099 0.000 2.590 291 L HA 0.197 4.537 4.340 0.000 0.000 0.227 291 L C 0.392 177.061 176.870 -0.336 0.000 1.099 291 L CA 0.424 55.072 54.840 -0.319 0.000 0.872 291 L CB 0.074 41.943 42.059 -0.316 0.000 1.088 291 L HN 0.178 nan 8.230 nan 0.000 0.479 292 R N 0.882 121.284 120.500 -0.163 0.000 3.201 292 R HA -0.129 4.211 4.340 0.000 0.000 0.254 292 R C 0.282 176.551 176.300 -0.052 0.000 0.978 292 R CA 0.907 56.953 56.100 -0.090 0.000 0.661 292 R CB -2.752 27.507 30.300 -0.068 0.000 1.170 292 R HN 0.500 nan 8.270 nan 0.000 0.430 293 T N -2.933 111.599 114.554 -0.037 0.000 2.902 293 T HA 0.503 4.853 4.350 0.000 0.000 0.280 293 T C 0.545 175.280 174.700 0.057 0.000 0.992 293 T CA -0.953 61.163 62.100 0.026 0.000 1.015 293 T CB 2.098 70.993 68.868 0.045 0.000 1.044 293 T HN 0.364 nan 8.240 nan 0.000 0.520 294 R N 1.251 121.795 120.500 0.074 0.000 2.220 294 R HA 0.257 4.597 4.340 0.000 0.000 0.340 294 R C -0.698 175.662 176.300 0.100 0.000 1.076 294 R CA -0.417 55.724 56.100 0.069 0.000 0.920 294 R CB -0.369 29.960 30.300 0.048 0.000 1.062 294 R HN 0.785 nan 8.270 nan 0.000 0.469 295 H N 2.216 121.274 119.070 -0.019 0.000 2.472 295 H HA 0.438 4.994 4.556 0.000 0.000 0.335 295 H C -0.952 174.342 175.328 -0.056 0.000 1.136 295 H CA -0.608 55.419 56.048 -0.035 0.000 1.264 295 H CB 1.006 30.742 29.762 -0.044 0.000 1.486 295 H HN 0.463 nan 8.280 nan 0.000 0.517 296 R N 2.372 122.492 120.500 -0.633 0.000 2.502 296 R HA 0.275 4.616 4.340 0.000 0.000 0.298 296 R C -1.424 174.499 176.300 -0.627 0.000 1.018 296 R CA -0.503 55.328 56.100 -0.448 0.000 0.899 296 R CB 0.782 30.930 30.300 -0.253 0.000 1.181 296 R HN 0.707 nan 8.270 nan 0.000 0.444 297 E N 5.008 124.910 120.200 -0.497 0.000 2.174 297 E HA 0.354 4.704 4.350 0.000 0.000 0.282 297 E C -0.404 176.001 176.600 -0.325 0.000 0.992 297 E CA -0.544 55.508 56.400 -0.581 0.000 0.803 297 E CB 1.910 31.044 29.700 -0.942 0.000 1.090 297 E HN 0.478 nan 8.360 nan 0.000 0.396 298 I N 2.612 123.101 120.570 -0.134 0.000 2.382 298 I HA 0.200 4.370 4.170 0.000 0.000 0.286 298 I C -0.422 175.791 176.117 0.160 0.000 1.002 298 I CA -0.396 60.902 61.300 -0.004 0.000 1.135 298 I CB 1.877 39.867 38.000 -0.016 0.000 1.288 298 I HN 0.364 nan 8.210 nan 0.000 0.448 299 T N 7.562 122.198 114.554 0.137 0.000 2.779 299 T HA 0.674 5.024 4.350 0.000 0.000 0.280 299 T C -0.311 174.432 174.700 0.071 0.000 0.987 299 T CA -0.371 61.832 62.100 0.170 0.000 0.966 299 T CB 1.148 70.132 68.868 0.193 0.000 0.933 299 T HN 0.501 nan 8.240 nan 0.000 0.442 300 I N 0.890 121.487 120.570 0.045 0.000 2.828 300 I HA 0.733 4.903 4.170 0.000 0.000 0.302 300 I C -3.140 172.981 176.117 0.007 0.000 1.101 300 I CA -3.390 57.918 61.300 0.015 0.000 1.031 300 I CB 2.233 40.230 38.000 -0.006 0.000 1.231 300 I HN 0.279 nan 8.210 nan 0.000 0.427 301 P HA 0.150 nan 4.420 nan 0.000 0.269 301 P C 0.392 177.690 177.300 -0.003 0.000 1.215 301 P CA -0.100 63.001 63.100 0.002 0.000 0.780 301 P CB 0.615 32.316 31.700 0.003 0.000 0.898 302 T N -0.202 114.351 114.554 -0.001 0.000 2.833 302 T HA -0.133 4.217 4.350 0.000 0.000 0.269 302 T C 1.669 176.373 174.700 0.006 0.000 1.054 302 T CA 2.143 64.244 62.100 0.001 0.000 1.135 302 T CB -0.913 67.960 68.868 0.008 0.000 0.869 302 T HN 0.634 nan 8.240 nan 0.000 0.466 303 T N 0.642 115.201 114.554 0.008 0.000 2.788 303 T HA -0.081 4.269 4.350 0.000 0.000 0.268 303 T C 1.791 176.493 174.700 0.004 0.000 1.044 303 T CA 1.321 63.429 62.100 0.013 0.000 1.139 303 T CB -0.284 68.591 68.868 0.013 0.000 0.867 303 T HN 0.481 nan 8.240 nan 0.000 0.454 304 E N 0.269 120.466 120.200 -0.005 0.000 2.150 304 E HA -0.045 4.305 4.350 0.000 0.000 0.193 304 E C 2.028 178.609 176.600 -0.030 0.000 0.985 304 E CA 0.515 56.906 56.400 -0.017 0.000 0.814 304 E CB -0.148 29.540 29.700 -0.020 0.000 0.752 304 E HN 0.438 nan 8.360 nan 0.000 0.466 305 L N 0.550 121.755 121.223 -0.029 0.000 2.044 305 L HA -0.080 4.261 4.340 0.000 0.000 0.205 305 L C 2.032 178.872 176.870 -0.050 0.000 1.075 305 L CA 1.413 56.227 54.840 -0.044 0.000 0.747 305 L CB -0.250 41.787 42.059 -0.037 0.000 0.903 305 L HN 0.185 nan 8.230 nan 0.000 0.435 306 L N -0.488 120.717 121.223 -0.030 0.000 2.201 306 L HA -0.132 4.208 4.340 0.000 0.000 0.212 306 L C 2.595 179.441 176.870 -0.040 0.000 1.105 306 L CA 0.928 55.743 54.840 -0.042 0.000 0.775 306 L CB -0.788 41.278 42.059 0.013 0.000 0.913 306 L HN 0.379 nan 8.230 nan 0.000 0.440 307 A N -0.719 122.094 122.820 -0.011 0.000 2.019 307 A HA -0.194 4.126 4.320 0.000 0.000 0.219 307 A C 2.076 179.691 177.584 0.051 0.000 1.164 307 A CA 1.102 53.149 52.037 0.017 0.000 0.644 307 A CB -0.247 18.764 19.000 0.018 0.000 0.805 307 A HN 0.394 nan 8.150 nan 0.000 0.449 308 Q N -0.266 119.539 119.800 0.010 0.000 2.488 308 Q HA 0.050 4.390 4.340 0.000 0.000 0.211 308 Q C 1.801 177.846 176.000 0.075 0.000 0.967 308 Q CA 0.300 56.134 55.803 0.053 0.000 0.926 308 Q CB -0.528 28.182 28.738 -0.046 0.000 0.992 308 Q HN 0.738 nan 8.270 nan 0.000 0.506 309 L N 1.520 122.724 121.223 -0.031 0.000 1.997 309 L HA -0.225 4.115 4.340 0.000 0.000 0.216 309 L C -0.373 176.472 176.870 -0.041 0.000 1.074 309 L CA 1.979 56.750 54.840 -0.115 0.000 0.763 309 L CB -1.791 40.146 42.059 -0.204 0.000 0.890 309 L HN 0.203 nan 8.230 nan 0.000 0.434 310 P HA -0.204 nan 4.420 nan 0.000 0.218 310 P C 1.234 178.472 177.300 -0.104 0.000 1.149 310 P CA 1.637 64.672 63.100 -0.108 0.000 0.817 310 P CB -0.078 31.491 31.700 -0.217 0.000 0.785 311 Y N 0.931 121.207 120.300 -0.040 0.000 2.200 311 Y HA -0.067 4.483 4.550 0.000 0.000 0.290 311 Y C 2.930 178.899 175.900 0.115 0.000 1.137 311 Y CA 1.417 59.557 58.100 0.066 0.000 1.163 311 Y CB -1.394 37.093 38.460 0.045 0.000 0.988 311 Y HN -0.044 nan 8.280 nan 0.000 0.518 312 A N -0.425 122.503 122.820 0.180 0.000 1.902 312 A HA -0.158 4.162 4.320 0.000 0.000 0.217 312 A C 2.369 180.003 177.584 0.083 0.000 1.181 312 A CA 2.030 54.118 52.037 0.086 0.000 0.623 312 A CB -1.201 17.799 19.000 -0.001 0.000 0.818 312 A HN 0.247 nan 8.150 nan 0.000 0.443 313 V N -2.248 117.717 119.914 0.086 0.000 2.358 313 V HA -0.234 3.886 4.120 0.000 0.000 0.246 313 V C 2.177 178.346 176.094 0.124 0.000 1.047 313 V CA 1.819 64.187 62.300 0.113 0.000 1.035 313 V CB -0.886 31.002 31.823 0.109 0.000 0.658 313 V HN 0.863 nan 8.190 nan 0.000 0.452 314 W N 1.029 122.252 121.300 -0.128 0.000 2.381 314 W HA -0.126 4.534 4.660 0.000 0.000 0.301 314 W C 2.383 178.822 176.519 -0.134 0.000 1.205 314 W CA 1.828 59.056 57.345 -0.195 0.000 1.285 314 W CB -0.348 28.942 29.460 -0.284 0.000 1.133 314 W HN 0.188 nan 8.180 nan 0.000 0.521 315 A N -0.225 122.585 122.820 -0.017 0.000 1.874 315 A HA -0.113 4.207 4.320 0.000 0.000 0.214 315 A C 2.125 179.629 177.584 -0.133 0.000 1.189 315 A CA 2.285 54.215 52.037 -0.179 0.000 0.615 315 A CB -1.315 17.658 19.000 -0.045 0.000 0.830 315 A HN 0.311 nan 8.150 nan 0.000 0.443 316 S N -1.250 114.426 115.700 -0.040 0.000 2.446 316 S HA 0.004 4.474 4.470 0.000 0.000 0.225 316 S C 0.634 175.256 174.600 0.037 0.000 1.016 316 S CA 0.950 59.142 58.200 -0.012 0.000 0.943 316 S CB -0.307 62.901 63.200 0.013 0.000 0.786 316 S HN 0.575 nan 8.310 nan 0.000 0.508 317 E N 0.487 120.721 120.200 0.056 0.000 2.791 317 E HA -0.135 4.215 4.350 0.000 0.000 0.271 317 E C -0.871 175.928 176.600 0.332 0.000 1.044 317 E CA 0.524 57.021 56.400 0.161 0.000 0.814 317 E CB -1.898 27.812 29.700 0.016 0.000 1.400 317 E HN 0.571 nan 8.360 nan 0.000 0.423 318 S N -0.347 115.488 115.700 0.225 0.000 2.565 318 S HA 0.406 4.876 4.470 0.000 0.000 0.290 318 S C 0.913 175.577 174.600 0.106 0.000 1.150 318 S CA -0.263 58.016 58.200 0.131 0.000 1.058 318 S CB 2.136 65.391 63.200 0.092 0.000 1.032 318 S HN 0.310 nan 8.310 nan 0.000 0.510 319 V N -1.590 118.296 119.914 -0.046 0.000 3.319 319 V HA 0.315 4.435 4.120 0.000 0.000 0.317 319 V C -0.016 176.062 176.094 -0.026 0.000 1.411 319 V CA -0.349 61.896 62.300 -0.092 0.000 1.112 319 V CB -0.188 31.444 31.823 -0.318 0.000 1.031 319 V HN 0.688 nan 8.190 nan 0.000 0.448 320 D N 2.994 123.404 120.400 0.017 0.000 2.339 320 D HA 0.298 4.938 4.640 0.000 0.000 0.241 320 D C -0.929 175.419 176.300 0.081 0.000 1.183 320 D CA -2.184 51.843 54.000 0.044 0.000 0.859 320 D CB 2.147 42.982 40.800 0.058 0.000 1.067 320 D HN 0.178 nan 8.370 nan 0.000 0.484 321 P HA -0.183 nan 4.420 nan 0.000 0.216 321 P C 0.628 178.030 177.300 0.170 0.000 1.150 321 P CA 1.069 64.231 63.100 0.103 0.000 0.843 321 P CB 0.523 32.149 31.700 -0.124 0.000 0.787 322 D N -0.203 120.291 120.400 0.156 0.000 2.117 322 D HA -0.114 4.527 4.640 0.000 0.000 0.197 322 D C 2.133 178.560 176.300 0.212 0.000 0.987 322 D CA 0.923 55.036 54.000 0.189 0.000 0.829 322 D CB -0.263 40.638 40.800 0.169 0.000 0.961 322 D HN 0.140 nan 8.370 nan 0.000 0.460 323 I N 0.896 121.585 120.570 0.198 0.000 2.202 323 I HA -0.189 3.982 4.170 0.000 0.000 0.242 323 I C 2.484 178.773 176.117 0.286 0.000 1.091 323 I CA 0.621 62.092 61.300 0.284 0.000 1.368 323 I CB -0.846 37.266 38.000 0.187 0.000 1.058 323 I HN -0.065 nan 8.210 nan 0.000 0.410 324 I N 1.013 121.684 120.570 0.168 0.000 2.208 324 I HA -0.290 3.881 4.170 0.000 0.000 0.245 324 I C 2.621 178.771 176.117 0.054 0.000 1.097 324 I CA 1.379 62.728 61.300 0.081 0.000 1.363 324 I CB -0.671 37.364 38.000 0.058 0.000 1.051 324 I HN 0.313 nan 8.210 nan 0.000 0.413 325 E N 0.060 120.360 120.200 0.165 0.000 2.038 325 E HA -0.305 4.045 4.350 0.000 0.000 0.195 325 E C 2.346 179.034 176.600 0.147 0.000 1.000 325 E CA 1.693 58.202 56.400 0.182 0.000 0.803 325 E CB -0.354 29.546 29.700 0.332 0.000 0.750 325 E HN 0.637 nan 8.360 nan 0.000 0.448 326 Y N 0.322 120.656 120.300 0.057 0.000 2.571 326 Y HA 0.045 4.595 4.550 0.000 0.000 0.294 326 Y C 1.457 177.363 175.900 0.010 0.000 1.141 326 Y CA 0.627 58.749 58.100 0.038 0.000 1.308 326 Y CB -0.103 38.389 38.460 0.054 0.000 1.002 326 Y HN 0.024 nan 8.280 nan 0.000 0.551 327 L N -0.472 120.488 121.223 -0.439 0.000 2.416 327 L HA -0.010 4.330 4.340 0.000 0.000 0.216 327 L C 2.299 179.008 176.870 -0.269 0.000 1.098 327 L CA 0.191 54.724 54.840 -0.511 0.000 0.840 327 L CB -0.281 41.589 42.059 -0.315 0.000 0.981 327 L HN 0.286 nan 8.230 nan 0.000 0.462 328 L N 0.563 121.680 121.223 -0.176 0.000 1.997 328 L HA -0.220 4.120 4.340 0.000 0.000 0.216 328 L C -0.139 176.641 176.870 -0.151 0.000 1.074 328 L CA 2.035 56.790 54.840 -0.142 0.000 0.763 328 L CB -1.593 40.385 42.059 -0.136 0.000 0.890 328 L HN 0.219 nan 8.230 nan 0.000 0.434 329 P HA -0.196 nan 4.420 nan 0.000 0.216 329 P C 1.766 178.926 177.300 -0.233 0.000 1.153 329 P CA 1.235 64.246 63.100 -0.149 0.000 0.858 329 P CB 0.042 31.677 31.700 -0.109 0.000 0.789 330 L N -0.918 120.119 121.223 -0.309 0.000 2.027 330 L HA -0.116 4.225 4.340 0.000 0.000 0.206 330 L C 2.545 179.054 176.870 -0.603 0.000 1.074 330 L CA 2.794 57.320 54.840 -0.523 0.000 0.745 330 L CB -2.498 39.295 42.059 -0.443 0.000 0.898 330 L HN 0.173 nan 8.230 nan 0.000 0.433 331 T N -1.309 113.093 114.554 -0.254 0.000 2.867 331 T HA -0.085 4.265 4.350 0.000 0.000 0.268 331 T C 1.958 176.593 174.700 -0.109 0.000 1.057 331 T CA 1.230 63.293 62.100 -0.061 0.000 1.136 331 T CB -0.068 68.816 68.868 0.027 0.000 0.874 331 T HN 0.242 nan 8.240 nan 0.000 0.466 332 A N 1.251 123.975 122.820 -0.160 0.000 1.933 332 A HA 0.152 4.473 4.320 0.000 0.000 0.218 332 A C 2.306 179.807 177.584 -0.138 0.000 1.175 332 A CA 1.607 53.561 52.037 -0.138 0.000 0.628 332 A CB -0.871 18.056 19.000 -0.121 0.000 0.814 332 A HN 0.542 nan 8.150 nan 0.000 0.444 333 L N -1.404 119.683 121.223 -0.226 0.000 2.027 333 L HA -0.078 4.263 4.340 0.000 0.000 0.206 333 L C 2.273 179.064 176.870 -0.131 0.000 1.074 333 L CA 1.865 56.574 54.840 -0.220 0.000 0.745 333 L CB -0.953 40.906 42.059 -0.333 0.000 0.898 333 L HN 0.441 nan 8.230 nan 0.000 0.433 334 Y N 0.212 120.486 120.300 -0.044 0.000 2.181 334 Y HA -0.135 4.416 4.550 0.000 0.000 0.288 334 Y C 2.728 178.665 175.900 0.062 0.000 1.146 334 Y CA 1.278 59.376 58.100 -0.004 0.000 1.164 334 Y CB -0.807 37.666 38.460 0.022 0.000 0.982 334 Y HN 0.166 nan 8.280 nan 0.000 0.515 335 R N -0.322 120.268 120.500 0.151 0.000 2.148 335 R HA -0.018 4.322 4.340 0.000 0.000 0.227 335 R C 2.239 178.565 176.300 0.043 0.000 1.103 335 R CA 1.002 57.143 56.100 0.068 0.000 0.983 335 R CB -0.475 29.789 30.300 -0.060 0.000 0.874 335 R HN 0.321 nan 8.270 nan 0.000 0.451 336 A N 1.141 123.970 122.820 0.016 0.000 2.123 336 A HA 0.105 4.425 4.320 0.000 0.000 0.214 336 A C 1.112 178.710 177.584 0.022 0.000 1.152 336 A CA -0.032 52.006 52.037 0.001 0.000 0.728 336 A CB -0.071 18.913 19.000 -0.028 0.000 0.814 336 A HN 0.093 nan 8.150 nan 0.000 0.464 337 L N 1.353 122.603 121.223 0.046 0.000 2.543 337 L HA 0.030 4.370 4.340 0.000 0.000 0.285 337 L C -0.634 176.288 176.870 0.087 0.000 1.236 337 L CA 0.072 54.930 54.840 0.030 0.000 0.871 337 L CB 0.150 42.165 42.059 -0.073 0.000 1.121 337 L HN 0.217 nan 8.230 nan 0.000 0.501 338 D N 1.558 121.987 120.400 0.049 0.000 2.248 338 D HA 0.705 5.345 4.640 0.000 0.000 0.246 338 D C 0.342 176.684 176.300 0.069 0.000 1.027 338 D CA 0.511 54.546 54.000 0.057 0.000 0.853 338 D CB 2.005 42.819 40.800 0.024 0.000 1.243 338 D HN 0.734 nan 8.370 nan 0.000 0.462 339 G N 1.901 110.749 108.800 0.080 0.000 2.396 339 G HA2 -0.071 3.889 3.960 0.000 0.000 0.254 339 G HA3 -0.071 3.889 3.960 0.000 0.000 0.254 339 G C -2.447 172.521 174.900 0.113 0.000 1.248 339 G CA -1.076 44.072 45.100 0.080 0.000 1.033 339 G HN 0.485 nan 8.290 nan 0.000 0.502 340 P HA 0.457 nan 4.420 nan 0.000 0.271 340 P C -0.142 177.274 177.300 0.193 0.000 1.233 340 P CA -0.118 63.051 63.100 0.115 0.000 0.789 340 P CB 0.279 32.034 31.700 0.093 0.000 0.951 341 E N 1.320 121.607 120.200 0.146 0.000 2.384 341 E HA 0.167 4.517 4.350 0.000 0.000 0.266 341 E C 0.124 176.910 176.600 0.310 0.000 1.012 341 E CA 0.100 56.607 56.400 0.179 0.000 0.901 341 E CB 0.367 30.121 29.700 0.090 0.000 0.967 341 E HN 0.175 nan 8.360 nan 0.000 0.435 342 R N 1.906 122.713 120.500 0.512 0.000 2.873 342 R HA 0.435 4.775 4.340 0.000 0.000 0.264 342 R C -0.338 176.114 176.300 0.253 0.000 1.026 342 R CA -1.030 55.230 56.100 0.266 0.000 1.002 342 R CB 1.197 31.563 30.300 0.111 0.000 1.174 342 R HN 0.477 nan 8.270 nan 0.000 0.488 343 R N 1.945 122.565 120.500 0.200 0.000 2.215 343 R HA 0.425 4.766 4.340 0.000 0.000 0.336 343 R C -0.629 175.747 176.300 0.127 0.000 0.996 343 R CA -0.241 56.003 56.100 0.240 0.000 0.847 343 R CB 0.206 30.648 30.300 0.236 0.000 1.127 343 R HN 0.528 nan 8.270 nan 0.000 0.465 344 I N 5.110 125.713 120.570 0.054 0.000 2.412 344 I HA 0.320 4.490 4.170 0.000 0.000 0.296 344 I C -0.781 175.303 176.117 -0.056 0.000 0.987 344 I CA -1.221 60.075 61.300 -0.007 0.000 1.180 344 I CB 1.724 39.703 38.000 -0.035 0.000 1.340 344 I HN 0.430 nan 8.210 nan 0.000 0.455 345 L N 4.774 125.992 121.223 -0.008 0.000 2.346 345 L HA 0.651 4.991 4.340 0.000 0.000 0.274 345 L C 0.235 177.141 176.870 0.060 0.000 1.007 345 L CA -0.107 54.721 54.840 -0.020 0.000 0.818 345 L CB 2.116 44.168 42.059 -0.011 0.000 1.284 345 L HN 0.752 nan 8.230 nan 0.000 0.424 346 T N -1.917 112.712 114.554 0.124 0.000 2.887 346 T HA 0.615 4.965 4.350 0.000 0.000 0.292 346 T C 0.528 175.410 174.700 0.303 0.000 1.087 346 T CA -0.205 62.040 62.100 0.242 0.000 1.009 346 T CB 1.708 70.799 68.868 0.371 0.000 1.203 346 T HN 0.583 nan 8.240 nan 0.000 0.518 347 G N -0.072 108.919 108.800 0.320 0.000 3.371 347 G HA2 0.196 4.156 3.960 0.000 0.000 0.248 347 G HA3 0.196 4.156 3.960 0.000 0.000 0.248 347 G C -0.003 175.120 174.900 0.373 0.000 1.161 347 G CA -0.483 44.874 45.100 0.429 0.000 0.796 347 G HN 0.781 nan 8.290 nan 0.000 0.539 348 Y N 0.937 121.402 120.300 0.275 0.000 2.702 348 Y HA 0.310 4.860 4.550 0.000 0.000 0.336 348 Y C 1.433 177.425 175.900 0.154 0.000 1.235 348 Y CA 0.927 59.106 58.100 0.132 0.000 1.492 348 Y CB 0.827 39.235 38.460 -0.087 0.000 1.308 348 Y HN 0.292 nan 8.280 nan 0.000 0.589 349 G N 2.906 110.839 108.800 -1.446 0.000 2.184 349 G HA2 -0.368 3.592 3.960 0.000 0.000 0.264 349 G HA3 -0.368 3.592 3.960 0.000 0.000 0.264 349 G C 1.025 175.846 174.900 -0.131 0.000 0.975 349 G CA 0.525 45.033 45.100 -0.988 0.000 0.642 349 G HN 1.460 nan 8.290 nan 0.000 0.536 350 A N 0.226 122.849 122.820 -0.330 0.000 2.015 350 A HA 0.082 4.402 4.320 0.000 0.000 0.219 350 A C 1.938 179.349 177.584 -0.288 0.000 1.163 350 A CA 2.025 53.733 52.037 -0.549 0.000 0.646 350 A CB -0.285 17.903 19.000 -1.354 0.000 0.806 350 A HN 0.477 nan 8.150 nan 0.000 0.448 351 D N -0.096 120.165 120.400 -0.231 0.000 2.264 351 D HA -0.080 4.560 4.640 0.000 0.000 0.208 351 D C 1.766 178.030 176.300 -0.059 0.000 0.966 351 D CA 0.943 54.862 54.000 -0.135 0.000 0.864 351 D CB -0.077 40.646 40.800 -0.129 0.000 0.933 351 D HN 0.553 nan 8.370 nan 0.000 0.499 352 I N 1.708 122.272 120.570 -0.010 0.000 2.141 352 I HA -0.138 4.032 4.170 0.000 0.000 0.236 352 I C -0.575 175.568 176.117 0.044 0.000 1.071 352 I CA 0.840 62.185 61.300 0.076 0.000 1.345 352 I CB -1.380 36.769 38.000 0.248 0.000 1.066 352 I HN -0.057 nan 8.210 nan 0.000 0.406 353 P HA -0.088 nan 4.420 nan 0.000 0.226 353 P C 1.507 178.784 177.300 -0.038 0.000 1.153 353 P CA 1.368 64.437 63.100 -0.051 0.000 0.777 353 P CB 0.091 31.707 31.700 -0.140 0.000 0.794 354 L N -1.478 119.719 121.223 -0.043 0.000 2.607 354 L HA 0.318 4.658 4.340 0.000 0.000 0.228 354 L C 1.189 178.052 176.870 -0.013 0.000 1.123 354 L CA 0.416 55.236 54.840 -0.034 0.000 0.890 354 L CB -0.790 41.230 42.059 -0.064 0.000 1.103 354 L HN 0.030 nan 8.230 nan 0.000 0.468 355 G N 0.608 109.405 108.800 -0.005 0.000 2.314 355 G HA2 -0.271 3.689 3.960 0.000 0.000 0.292 355 G HA3 -0.271 3.689 3.960 0.000 0.000 0.292 355 G C 0.933 175.865 174.900 0.053 0.000 1.059 355 G CA 0.232 45.345 45.100 0.022 0.000 0.982 355 G HN 0.486 nan 8.290 nan 0.000 0.505 356 G N -0.517 108.292 108.800 0.014 0.000 2.448 356 G HA2 -0.039 3.921 3.960 0.000 0.000 0.219 356 G HA3 -0.039 3.921 3.960 0.000 0.000 0.219 356 G C 1.640 176.555 174.900 0.025 0.000 1.127 356 G CA 1.412 46.515 45.100 0.005 0.000 0.766 356 G HN 0.509 nan 8.290 nan 0.000 0.552 357 M N 0.106 119.729 119.600 0.038 0.000 2.541 357 M HA 0.167 4.647 4.480 0.000 0.000 0.252 357 M C 0.600 176.934 176.300 0.056 0.000 1.125 357 M CA -0.194 55.126 55.300 0.033 0.000 1.091 357 M CB -0.697 31.918 32.600 0.025 0.000 1.420 357 M HN 0.287 nan 8.290 nan 0.000 0.486 358 H N 2.440 121.507 119.070 -0.003 0.000 2.929 358 H HA 0.101 4.657 4.556 0.000 0.000 0.317 358 H C 0.882 176.210 175.328 -0.001 0.000 1.031 358 H CA 0.731 56.779 56.048 -0.001 0.000 1.466 358 H CB 0.506 30.269 29.762 0.002 0.000 1.482 358 H HN 0.224 nan 8.280 nan 0.000 0.561 359 R N 3.267 123.514 120.500 -0.421 0.000 2.700 359 R HA 0.213 4.553 4.340 0.000 0.000 0.377 359 R C -0.825 175.303 176.300 -0.286 0.000 1.130 359 R CA -0.466 55.477 56.100 -0.260 0.000 1.055 359 R CB 0.139 30.355 30.300 -0.141 0.000 1.387 359 R HN 0.699 nan 8.270 nan 0.000 0.580 360 E N -0.640 119.285 120.200 -0.458 0.000 2.433 360 E HA 0.230 4.581 4.350 0.000 0.000 0.278 360 E C -0.850 175.739 176.600 -0.019 0.000 0.976 360 E CA -0.952 55.328 56.400 -0.200 0.000 0.793 360 E CB 0.976 30.571 29.700 -0.175 0.000 1.311 360 E HN -0.173 nan 8.360 nan 0.000 0.460 361 D N 0.287 120.699 120.400 0.020 0.000 2.224 361 D HA -0.029 4.611 4.640 0.000 0.000 0.205 361 D C -0.011 176.338 176.300 0.081 0.000 0.965 361 D CA 0.806 54.836 54.000 0.050 0.000 0.852 361 D CB -0.013 40.791 40.800 0.006 0.000 0.947 361 D HN 0.263 nan 8.370 nan 0.000 0.494 362 R N 0.917 121.471 120.500 0.091 0.000 2.442 362 R HA 0.189 4.530 4.340 0.000 0.000 0.291 362 R C 1.326 177.710 176.300 0.139 0.000 1.069 362 R CA -0.141 56.008 56.100 0.081 0.000 1.022 362 R CB 0.910 31.244 30.300 0.056 0.000 0.976 362 R HN 0.087 nan 8.270 nan 0.000 0.443 363 L N 4.334 125.576 121.223 0.032 0.000 2.341 363 L HA 0.047 4.387 4.340 0.000 0.000 0.214 363 L C -0.949 175.866 176.870 -0.091 0.000 1.115 363 L CA 0.031 54.834 54.840 -0.062 0.000 0.820 363 L CB -0.981 41.035 42.059 -0.071 0.000 0.944 363 L HN 0.464 nan 8.230 nan 0.000 0.452 364 P HA -0.240 nan 4.420 nan 0.000 0.215 364 P C 1.666 178.950 177.300 -0.027 0.000 1.163 364 P CA 1.999 65.085 63.100 -0.024 0.000 0.894 364 P CB 0.066 31.766 31.700 -0.001 0.000 0.791 365 A N -1.012 121.821 122.820 0.021 0.000 2.019 365 A HA -0.168 4.152 4.320 0.000 0.000 0.219 365 A C 2.217 179.784 177.584 -0.027 0.000 1.164 365 A CA 1.225 53.291 52.037 0.050 0.000 0.644 365 A CB -1.629 17.466 19.000 0.159 0.000 0.805 365 A HN 0.187 nan 8.150 nan 0.000 0.449 366 L N -0.808 120.241 121.223 -0.290 0.000 2.046 366 L HA -0.184 4.157 4.340 0.000 0.000 0.208 366 L C 1.823 178.602 176.870 -0.153 0.000 1.077 366 L CA 2.003 56.596 54.840 -0.411 0.000 0.747 366 L CB -0.290 41.306 42.059 -0.772 0.000 0.896 366 L HN 0.304 nan 8.230 nan 0.000 0.432 367 D N -1.078 119.253 120.400 -0.115 0.000 2.183 367 D HA -0.125 4.516 4.640 0.000 0.000 0.203 367 D C 2.063 178.358 176.300 -0.008 0.000 0.969 367 D CA 1.531 55.500 54.000 -0.050 0.000 0.842 367 D CB 0.134 40.907 40.800 -0.045 0.000 0.957 367 D HN 0.361 nan 8.370 nan 0.000 0.484 368 T N 0.545 115.096 114.554 -0.005 0.000 2.708 368 T HA -0.093 4.257 4.350 0.000 0.000 0.266 368 T C 2.250 176.985 174.700 0.058 0.000 1.037 368 T CA 0.770 62.883 62.100 0.022 0.000 1.146 368 T CB -0.260 68.614 68.868 0.010 0.000 0.865 368 T HN -0.032 nan 8.240 nan 0.000 0.435 369 V N 1.561 121.507 119.914 0.053 0.000 2.427 369 V HA -0.069 4.052 4.120 0.000 0.000 0.248 369 V C 2.398 178.567 176.094 0.126 0.000 1.051 369 V CA 1.155 63.513 62.300 0.096 0.000 1.048 369 V CB -0.658 31.213 31.823 0.080 0.000 0.666 369 V HN 0.413 nan 8.190 nan 0.000 0.456 370 L N 0.226 121.492 121.223 0.072 0.000 1.989 370 L HA -0.209 4.131 4.340 0.000 0.000 0.211 370 L C 2.596 179.521 176.870 0.092 0.000 1.071 370 L CA 2.148 57.029 54.840 0.068 0.000 0.749 370 L CB -0.574 41.497 42.059 0.021 0.000 0.890 370 L HN 0.368 nan 8.230 nan 0.000 0.431 371 A N -1.174 121.695 122.820 0.081 0.000 1.972 371 A HA -0.322 3.998 4.320 0.000 0.000 0.219 371 A C 1.999 179.652 177.584 0.115 0.000 1.169 371 A CA 1.925 54.011 52.037 0.081 0.000 0.635 371 A CB -0.880 18.156 19.000 0.059 0.000 0.810 371 A HN 0.726 nan 8.150 nan 0.000 0.446 372 H N -0.027 119.077 119.070 0.057 0.000 2.357 372 H HA -0.080 4.476 4.556 0.000 0.000 0.301 372 H C 1.498 176.889 175.328 0.104 0.000 1.082 372 H CA 1.827 57.913 56.048 0.064 0.000 1.342 372 H CB -0.080 29.710 29.762 0.047 0.000 1.389 372 H HN 0.369 nan 8.280 nan 0.000 0.511 373 D N -0.054 120.402 120.400 0.094 0.000 2.097 373 D HA -0.134 4.507 4.640 0.000 0.000 0.195 373 D C 1.899 178.343 176.300 0.241 0.000 0.989 373 D CA 1.020 55.091 54.000 0.119 0.000 0.827 373 D CB -0.114 40.794 40.800 0.180 0.000 0.966 373 D HN 0.385 nan 8.370 nan 0.000 0.456 374 M N 0.091 119.844 119.600 0.255 0.000 2.460 374 M HA 0.054 4.534 4.480 0.000 0.000 0.263 374 M C 1.815 178.350 176.300 0.391 0.000 1.071 374 M CA 0.373 55.924 55.300 0.420 0.000 1.096 374 M CB -0.764 31.975 32.600 0.231 0.000 1.408 374 M HN -0.055 nan 8.290 nan 0.000 0.463 375 A N -0.277 122.624 122.820 0.135 0.000 2.195 375 A HA 0.078 4.399 4.320 0.000 0.000 0.210 375 A C 1.750 179.269 177.584 -0.107 0.000 1.165 375 A CA 1.182 53.222 52.037 0.004 0.000 0.806 375 A CB -0.424 18.560 19.000 -0.027 0.000 0.847 375 A HN 0.499 nan 8.150 nan 0.000 0.482 376 T N -3.466 111.023 114.554 -0.108 0.000 3.145 376 T HA 0.218 4.568 4.350 0.000 0.000 0.281 376 T C 0.992 175.652 174.700 -0.067 0.000 1.003 376 T CA 0.278 62.282 62.100 -0.159 0.000 0.901 376 T CB -0.899 67.802 68.868 -0.279 0.000 1.112 376 T HN 0.443 nan 8.240 nan 0.000 0.535 377 F N 0.900 120.880 119.950 0.049 0.000 2.367 377 F HA 0.343 4.870 4.527 0.000 0.000 0.298 377 F C 0.498 176.314 175.800 0.026 0.000 1.094 377 F CA -0.656 57.377 58.000 0.056 0.000 1.409 377 F CB -0.543 38.556 39.000 0.165 0.000 1.064 377 F HN 0.028 nan 8.300 nan 0.000 0.528 378 D N 1.048 120.980 120.400 -0.779 0.000 2.401 378 D HA 0.341 4.981 4.640 0.000 0.000 0.254 378 D C 1.218 177.407 176.300 -0.185 0.000 1.192 378 D CA 1.242 54.958 54.000 -0.474 0.000 0.885 378 D CB 0.774 41.239 40.800 -0.558 0.000 1.147 378 D HN 0.585 nan 8.370 nan 0.000 0.478 379 G N 3.035 111.782 108.800 -0.089 0.000 2.201 379 G HA2 -0.261 3.700 3.960 0.000 0.000 0.212 379 G HA3 -0.261 3.700 3.960 0.000 0.000 0.212 379 G C 0.930 175.829 174.900 -0.001 0.000 0.994 379 G CA 0.196 45.272 45.100 -0.041 0.000 0.644 379 G HN 0.484 nan 8.290 nan 0.000 0.508 380 L N 1.093 122.320 121.223 0.007 0.000 2.313 380 L HA 0.300 4.640 4.340 0.000 0.000 0.214 380 L C 1.563 178.447 176.870 0.023 0.000 1.119 380 L CA 1.332 56.189 54.840 0.029 0.000 0.809 380 L CB -0.723 41.362 42.059 0.043 0.000 0.933 380 L HN 0.404 nan 8.230 nan 0.000 0.449 381 N N -0.246 118.452 118.700 -0.003 0.000 2.661 381 N HA -0.283 4.457 4.740 0.000 0.000 0.249 381 N C 1.008 176.466 175.510 -0.087 0.000 1.142 381 N CA 1.178 54.206 53.050 -0.036 0.000 0.727 381 N CB -1.236 37.259 38.487 0.014 0.000 1.099 381 N HN 0.538 nan 8.380 nan 0.000 0.558 382 E N -0.212 119.924 120.200 -0.106 0.000 2.160 382 E HA -0.103 4.247 4.350 0.000 0.000 0.195 382 E C 1.270 177.590 176.600 -0.467 0.000 0.991 382 E CA 1.172 57.481 56.400 -0.151 0.000 0.810 382 E CB -0.102 29.532 29.700 -0.109 0.000 0.742 382 E HN 0.542 nan 8.360 nan 0.000 0.466 383 M N 0.687 119.963 119.600 -0.540 0.000 2.383 383 M HA 0.086 4.567 4.480 0.000 0.000 0.247 383 M C 0.588 176.735 176.300 -0.255 0.000 1.117 383 M CA -0.287 54.651 55.300 -0.604 0.000 0.995 383 M CB 0.863 33.121 32.600 -0.570 0.000 1.480 383 M HN -0.153 nan 8.290 nan 0.000 0.485 384 S N 2.310 117.886 115.700 -0.207 0.000 2.593 384 S HA 0.023 4.493 4.470 0.000 0.000 0.300 384 S C -1.206 173.279 174.600 -0.192 0.000 1.267 384 S CA -1.007 57.097 58.200 -0.160 0.000 1.065 384 S CB 0.556 63.681 63.200 -0.125 0.000 0.807 384 S HN 0.223 nan 8.310 nan 0.000 0.499 385 P HA -0.045 nan 4.420 nan 0.000 0.223 385 P C 1.449 178.567 177.300 -0.303 0.000 1.151 385 P CA 0.638 63.525 63.100 -0.355 0.000 0.787 385 P CB -0.133 31.362 31.700 -0.342 0.000 0.788 386 V N 0.445 120.220 119.914 -0.230 0.000 2.546 386 V HA -0.225 3.895 4.120 0.000 0.000 0.254 386 V C 2.679 178.653 176.094 -0.200 0.000 1.076 386 V CA 1.429 63.588 62.300 -0.236 0.000 1.087 386 V CB -1.380 30.299 31.823 -0.240 0.000 0.674 386 V HN 0.046 nan 8.190 nan 0.000 0.470 387 L N 0.771 121.895 121.223 -0.165 0.000 2.187 387 L HA -0.164 4.177 4.340 0.000 0.000 0.213 387 L C 2.395 179.229 176.870 -0.059 0.000 1.100 387 L CA 1.924 56.733 54.840 -0.052 0.000 0.765 387 L CB -0.417 41.645 42.059 0.004 0.000 0.904 387 L HN 0.606 nan 8.230 nan 0.000 0.437 388 S N -3.302 112.171 115.700 -0.378 0.000 2.539 388 S HA -0.037 4.433 4.470 0.000 0.000 0.226 388 S C 1.786 176.189 174.600 -0.330 0.000 1.054 388 S CA 0.309 58.157 58.200 -0.586 0.000 0.910 388 S CB -0.257 62.189 63.200 -1.256 0.000 0.818 388 S HN 0.407 nan 8.310 nan 0.000 0.490 389 T N 1.793 116.122 114.554 -0.375 0.000 3.118 389 T HA 0.105 4.455 4.350 0.000 0.000 0.260 389 T C 1.660 176.203 174.700 -0.262 0.000 1.139 389 T CA 0.802 62.626 62.100 -0.461 0.000 1.085 389 T CB -0.822 67.636 68.868 -0.683 0.000 0.934 389 T HN 0.480 nan 8.240 nan 0.000 0.518 390 L N -0.699 120.436 121.223 -0.146 0.000 2.362 390 L HA 0.526 4.866 4.340 0.000 0.000 0.219 390 L C 2.068 178.963 176.870 0.042 0.000 1.134 390 L CA 1.144 55.975 54.840 -0.014 0.000 0.807 390 L CB -0.678 41.425 42.059 0.075 0.000 0.927 390 L HN 0.222 nan 8.230 nan 0.000 0.447 391 A N -0.805 121.997 122.820 -0.029 0.000 2.538 391 A HA 0.624 4.944 4.320 0.000 0.000 0.269 391 A C 1.650 179.070 177.584 -0.274 0.000 1.231 391 A CA 0.268 52.278 52.037 -0.046 0.000 0.948 391 A CB -0.288 18.766 19.000 0.090 0.000 1.110 391 A HN 0.739 nan 8.150 nan 0.000 0.529 392 G N -0.481 108.159 108.800 -0.266 0.000 2.176 392 G HA2 -0.221 3.739 3.960 0.000 0.000 0.253 392 G HA3 -0.221 3.739 3.960 0.000 0.000 0.253 392 G C 0.068 174.760 174.900 -0.346 0.000 0.979 392 G CA 0.342 45.270 45.100 -0.286 0.000 0.641 392 G HN 0.668 nan 8.290 nan 0.000 0.530 393 H N -0.984 118.008 119.070 -0.130 0.000 2.472 393 H HA 0.409 4.965 4.556 0.000 0.000 0.335 393 H C -0.259 174.967 175.328 -0.171 0.000 1.136 393 H CA -0.425 55.566 56.048 -0.096 0.000 1.264 393 H CB 1.141 30.830 29.762 -0.121 0.000 1.486 393 H HN 0.356 nan 8.280 nan 0.000 0.517 394 W N 3.754 125.016 121.300 -0.064 0.000 2.390 394 W HA 0.250 4.910 4.660 0.000 0.000 0.312 394 W C -0.824 175.619 176.519 -0.128 0.000 1.123 394 W CA -0.674 56.609 57.345 -0.102 0.000 1.202 394 W CB 1.442 30.978 29.460 0.128 0.000 1.251 394 W HN 0.555 nan 8.180 nan 0.000 0.511 395 T N 2.430 116.378 114.554 -1.010 0.000 2.841 395 T HA 0.483 4.833 4.350 0.000 0.000 0.283 395 T C -0.614 173.350 174.700 -1.228 0.000 1.000 395 T CA -0.567 60.998 62.100 -0.891 0.000 0.977 395 T CB 2.204 70.673 68.868 -0.665 0.000 0.979 395 T HN 0.366 nan 8.240 nan 0.000 0.446 396 T N 1.002 115.036 114.554 -0.867 0.000 2.906 396 T HA 0.462 4.812 4.350 0.000 0.000 0.295 396 T C -1.572 172.696 174.700 -0.721 0.000 1.061 396 T CA -0.748 60.932 62.100 -0.700 0.000 1.000 396 T CB 0.986 69.758 68.868 -0.160 0.000 1.103 396 T HN 0.745 nan 8.240 nan 0.000 0.486 397 H N 4.011 123.083 119.070 0.004 0.000 2.736 397 H HA 0.263 4.819 4.556 0.000 0.000 0.271 397 H C -2.167 173.232 175.328 0.119 0.000 1.184 397 H CA -1.851 54.263 56.048 0.109 0.000 1.378 397 H CB 1.402 31.291 29.762 0.212 0.000 1.428 397 H HN 0.429 nan 8.280 nan 0.000 0.500 398 P HA -0.215 nan 4.420 nan 0.000 0.216 398 P C 1.124 178.394 177.300 -0.050 0.000 1.154 398 P CA 1.525 64.565 63.100 -0.100 0.000 0.865 398 P CB 0.034 31.574 31.700 -0.266 0.000 0.789 399 Y N -3.619 116.795 120.300 0.190 0.000 2.333 399 Y HA -0.125 4.425 4.550 0.000 0.000 0.290 399 Y C 1.499 177.487 175.900 0.146 0.000 1.144 399 Y CA 0.533 58.727 58.100 0.157 0.000 1.228 399 Y CB -0.702 37.864 38.460 0.177 0.000 0.985 399 Y HN 0.017 nan 8.280 nan 0.000 0.542 400 W N 1.037 122.464 121.300 0.212 0.000 3.325 400 W HA 0.114 4.775 4.660 0.000 0.000 0.370 400 W C 0.534 177.173 176.519 0.201 0.000 1.169 400 W CA -0.842 56.602 57.345 0.165 0.000 1.874 400 W CB -0.242 29.310 29.460 0.154 0.000 1.076 400 W HN -0.108 nan 8.180 nan 0.000 0.684 401 D N 0.630 121.154 120.400 0.207 0.000 2.399 401 D HA -0.035 4.606 4.640 0.000 0.000 0.241 401 D C 1.569 177.815 176.300 -0.089 0.000 1.133 401 D CA 0.201 54.271 54.000 0.116 0.000 0.890 401 D CB 1.081 41.884 40.800 0.005 0.000 1.201 401 D HN 0.042 nan 8.370 nan 0.000 0.432 402 R N 1.818 122.078 120.500 -0.399 0.000 2.096 402 R HA -0.173 4.167 4.340 0.000 0.000 0.240 402 R C 1.621 177.759 176.300 -0.271 0.000 1.139 402 R CA 1.495 57.148 56.100 -0.746 0.000 0.952 402 R CB 0.109 29.881 30.300 -0.880 0.000 0.854 402 R HN 0.521 nan 8.270 nan 0.000 0.436 403 E N -0.048 120.068 120.200 -0.139 0.000 2.072 403 E HA -0.123 4.227 4.350 0.000 0.000 0.191 403 E C 2.143 178.717 176.600 -0.043 0.000 0.985 403 E CA 1.055 57.422 56.400 -0.055 0.000 0.801 403 E CB -0.428 29.254 29.700 -0.030 0.000 0.750 403 E HN 0.209 nan 8.360 nan 0.000 0.452 404 V N 1.613 121.495 119.914 -0.053 0.000 2.295 404 V HA -0.225 3.896 4.120 0.000 0.000 0.246 404 V C 2.470 178.535 176.094 -0.049 0.000 1.049 404 V CA 1.454 63.734 62.300 -0.033 0.000 1.024 404 V CB -0.620 31.188 31.823 -0.025 0.000 0.648 404 V HN 0.140 nan 8.190 nan 0.000 0.447 405 L N 0.483 121.638 121.223 -0.113 0.000 1.989 405 L HA -0.216 4.124 4.340 0.000 0.000 0.211 405 L C 2.185 179.012 176.870 -0.073 0.000 1.071 405 L CA 2.165 56.880 54.840 -0.208 0.000 0.749 405 L CB -1.006 40.835 42.059 -0.363 0.000 0.890 405 L HN 0.316 nan 8.230 nan 0.000 0.431 406 D N -0.799 119.614 120.400 0.022 0.000 2.104 406 D HA -0.211 4.430 4.640 0.000 0.000 0.194 406 D C 2.171 178.489 176.300 0.031 0.000 0.994 406 D CA 1.644 55.700 54.000 0.093 0.000 0.830 406 D CB -0.255 40.624 40.800 0.132 0.000 0.959 406 D HN 0.320 nan 8.370 nan 0.000 0.452 407 L N 0.796 122.026 121.223 0.012 0.000 1.994 407 L HA -0.125 4.215 4.340 0.000 0.000 0.208 407 L C 2.258 179.130 176.870 0.003 0.000 1.071 407 L CA 1.482 56.327 54.840 0.010 0.000 0.745 407 L CB -0.740 41.324 42.059 0.009 0.000 0.892 407 L HN 0.021 nan 8.230 nan 0.000 0.431 408 L N -1.597 119.620 121.223 -0.009 0.000 2.046 408 L HA -0.189 4.152 4.340 0.000 0.000 0.208 408 L C 2.447 179.301 176.870 -0.027 0.000 1.077 408 L CA 1.003 55.834 54.840 -0.015 0.000 0.747 408 L CB -0.683 41.360 42.059 -0.026 0.000 0.896 408 L HN 0.135 nan 8.230 nan 0.000 0.432 409 V N -0.087 119.803 119.914 -0.041 0.000 2.407 409 V HA -0.255 3.865 4.120 0.000 0.000 0.248 409 V C 2.718 178.802 176.094 -0.017 0.000 1.055 409 V CA 1.970 64.249 62.300 -0.035 0.000 1.049 409 V CB -0.453 31.350 31.823 -0.033 0.000 0.662 409 V HN 0.639 nan 8.190 nan 0.000 0.455 410 S N -0.254 115.442 115.700 -0.008 0.000 2.402 410 S HA 0.002 4.472 4.470 0.000 0.000 0.229 410 S C 0.924 175.523 174.600 -0.000 0.000 1.021 410 S CA 0.360 58.557 58.200 -0.004 0.000 0.974 410 S CB -0.725 62.477 63.200 0.003 0.000 0.800 410 S HN 0.458 nan 8.310 nan 0.000 0.484 411 L N 3.104 124.331 121.223 0.006 0.000 2.540 411 L HA 0.135 4.476 4.340 0.000 0.000 0.276 411 L C 0.629 177.503 176.870 0.006 0.000 1.212 411 L CA -0.362 54.487 54.840 0.015 0.000 0.893 411 L CB -0.089 41.990 42.059 0.032 0.000 1.138 411 L HN 0.478 nan 8.230 nan 0.000 0.491 412 E N 2.224 122.427 120.200 0.005 0.000 2.436 412 E HA 0.090 4.440 4.350 0.000 0.000 0.262 412 E C 0.904 177.495 176.600 -0.014 0.000 1.063 412 E CA 0.250 56.644 56.400 -0.009 0.000 0.944 412 E CB 0.688 30.380 29.700 -0.012 0.000 0.950 412 E HN 0.598 nan 8.360 nan 0.000 0.444 413 A N 3.307 126.106 122.820 -0.035 0.000 1.986 413 A HA -0.148 4.172 4.320 0.000 0.000 0.220 413 A C 2.084 179.638 177.584 -0.050 0.000 1.171 413 A CA 1.706 53.710 52.037 -0.055 0.000 0.640 413 A CB -1.263 17.684 19.000 -0.089 0.000 0.811 413 A HN 0.806 nan 8.150 nan 0.000 0.451 414 G N -1.533 107.234 108.800 -0.055 0.000 2.776 414 G HA2 0.130 4.091 3.960 0.000 0.000 0.209 414 G HA3 0.130 4.091 3.960 0.000 0.000 0.209 414 G C 1.033 175.884 174.900 -0.082 0.000 1.145 414 G CA 0.600 45.648 45.100 -0.086 0.000 0.791 414 G HN 0.360 nan 8.290 nan 0.000 0.530 415 L N -0.691 120.537 121.223 0.009 0.000 2.513 415 L HA 0.356 4.697 4.340 0.000 0.000 0.222 415 L C 2.336 179.343 176.870 0.228 0.000 1.096 415 L CA 0.945 55.867 54.840 0.137 0.000 0.857 415 L CB 0.074 42.219 42.059 0.143 0.000 1.026 415 L HN 0.115 nan 8.230 nan 0.000 0.469 416 K N -0.650 119.818 120.400 0.112 0.000 2.242 416 K HA 0.090 4.410 4.320 0.000 0.000 0.200 416 K C 0.516 177.193 176.600 0.127 0.000 1.050 416 K CA 0.123 56.476 56.287 0.110 0.000 0.981 416 K CB 0.489 33.009 32.500 0.032 0.000 0.795 416 K HN -0.144 nan 8.250 nan 0.000 0.477 417 R N 1.669 122.212 120.500 0.072 0.000 2.352 417 R HA 0.268 4.608 4.340 0.000 0.000 0.304 417 R C -1.511 174.770 176.300 -0.031 0.000 1.104 417 R CA -0.382 55.762 56.100 0.073 0.000 0.991 417 R CB 0.488 30.842 30.300 0.090 0.000 1.140 417 R HN -0.084 nan 8.270 nan 0.000 0.540 418 R N 2.035 122.495 120.500 -0.067 0.000 2.651 418 R HA 0.301 4.641 4.340 0.000 0.000 0.278 418 R C -0.703 175.339 176.300 -0.431 0.000 1.010 418 R CA -0.620 55.204 56.100 -0.461 0.000 0.896 418 R CB 0.901 30.690 30.300 -0.851 0.000 1.211 418 R HN 0.788 nan 8.270 nan 0.000 0.456 419 H N 1.842 120.761 119.070 -0.251 0.000 2.791 419 H HA -0.179 4.377 4.556 0.000 0.000 0.302 419 H C 0.830 176.136 175.328 -0.036 0.000 1.198 419 H CA 1.417 57.372 56.048 -0.155 0.000 1.145 419 H CB -1.382 28.260 29.762 -0.200 0.000 1.385 419 H HN 1.103 nan 8.280 nan 0.000 0.409 420 G N -0.209 108.609 108.800 0.031 0.000 2.168 420 G HA2 -0.363 3.598 3.960 0.000 0.000 0.263 420 G HA3 -0.363 3.598 3.960 0.000 0.000 0.263 420 G C 0.391 175.341 174.900 0.084 0.000 0.977 420 G CA 0.698 45.828 45.100 0.051 0.000 0.659 420 G HN 0.630 nan 8.290 nan 0.000 0.533 421 R N 0.667 121.248 120.500 0.136 0.000 2.668 421 R HA 0.529 4.869 4.340 0.000 0.000 0.279 421 R C -0.338 176.063 176.300 0.168 0.000 0.976 421 R CA -0.256 55.946 56.100 0.170 0.000 0.978 421 R CB 1.056 31.519 30.300 0.272 0.000 1.133 421 R HN 0.479 nan 8.270 nan 0.000 0.484 422 D N -0.046 120.430 120.400 0.126 0.000 2.283 422 D HA 0.118 4.759 4.640 0.000 0.000 0.248 422 D C -0.556 175.811 176.300 0.111 0.000 1.072 422 D CA -0.764 53.303 54.000 0.111 0.000 0.929 422 D CB 0.689 41.530 40.800 0.068 0.000 1.182 422 D HN 0.366 nan 8.370 nan 0.000 0.433 423 K N 0.294 120.751 120.400 0.095 0.000 3.078 423 K HA -0.280 4.041 4.320 0.000 0.000 0.261 423 K C -0.013 176.636 176.600 0.082 0.000 0.947 423 K CA 0.414 56.736 56.287 0.059 0.000 0.702 423 K CB -1.305 31.187 32.500 -0.013 0.000 1.318 423 K HN 0.696 nan 8.250 nan 0.000 0.473 424 W N 0.687 121.994 121.300 0.012 0.000 2.301 424 W HA -0.317 4.343 4.660 0.000 0.000 0.325 424 W C 1.997 178.537 176.519 0.036 0.000 1.250 424 W CA 2.192 59.556 57.345 0.032 0.000 1.261 424 W CB -0.607 28.876 29.460 0.039 0.000 1.157 424 W HN 0.166 nan 8.180 nan 0.000 0.473 425 V N 1.463 121.350 119.914 -0.045 0.000 2.453 425 V HA -0.297 3.823 4.120 0.000 0.000 0.252 425 V C 2.196 178.089 176.094 -0.335 0.000 1.068 425 V CA 2.261 64.369 62.300 -0.320 0.000 1.070 425 V CB -0.713 31.137 31.823 0.045 0.000 0.664 425 V HN 0.400 nan 8.190 nan 0.000 0.461 426 L N -0.573 120.535 121.223 -0.191 0.000 2.072 426 L HA -0.115 4.225 4.340 0.000 0.000 0.205 426 L C 2.822 179.587 176.870 -0.175 0.000 1.079 426 L CA 1.746 56.513 54.840 -0.123 0.000 0.752 426 L CB -0.392 41.633 42.059 -0.056 0.000 0.906 426 L HN 0.302 nan 8.230 nan 0.000 0.436 427 R N -0.134 120.228 120.500 -0.230 0.000 2.083 427 R HA -0.162 4.178 4.340 0.000 0.000 0.237 427 R C 2.278 178.404 176.300 -0.290 0.000 1.137 427 R CA 1.481 57.452 56.100 -0.214 0.000 0.951 427 R CB -0.542 29.652 30.300 -0.178 0.000 0.851 427 R HN 0.424 nan 8.270 nan 0.000 0.434 428 A N 1.193 123.685 122.820 -0.547 0.000 1.972 428 A HA -0.067 4.254 4.320 0.000 0.000 0.219 428 A C 2.321 179.721 177.584 -0.306 0.000 1.169 428 A CA 1.567 53.289 52.037 -0.524 0.000 0.635 428 A CB -0.487 17.880 19.000 -1.055 0.000 0.810 428 A HN 0.409 nan 8.150 nan 0.000 0.446 429 A N -1.348 121.306 122.820 -0.276 0.000 2.014 429 A HA 0.030 4.351 4.320 0.000 0.000 0.218 429 A C 1.864 179.395 177.584 -0.088 0.000 1.163 429 A CA 1.633 53.582 52.037 -0.147 0.000 0.652 429 A CB -0.254 18.680 19.000 -0.109 0.000 0.808 429 A HN 0.411 nan 8.150 nan 0.000 0.449 430 M N -1.159 118.387 119.600 -0.090 0.000 2.333 430 M HA 0.306 4.786 4.480 0.000 0.000 0.257 430 M C 2.064 178.329 176.300 -0.058 0.000 1.078 430 M CA 0.479 55.748 55.300 -0.051 0.000 1.005 430 M CB -1.107 31.474 32.600 -0.032 0.000 1.444 430 M HN 0.395 nan 8.290 nan 0.000 0.496 431 A N 1.864 124.636 122.820 -0.080 0.000 1.958 431 A HA -0.220 4.100 4.320 0.000 0.000 0.221 431 A C 1.655 179.216 177.584 -0.038 0.000 1.178 431 A CA 2.488 54.485 52.037 -0.067 0.000 0.642 431 A CB -0.854 18.104 19.000 -0.069 0.000 0.816 431 A HN 0.593 nan 8.150 nan 0.000 0.453 432 D N -1.310 119.080 120.400 -0.017 0.000 2.340 432 D HA 0.360 5.000 4.640 0.000 0.000 0.220 432 D C 0.934 177.264 176.300 0.050 0.000 1.039 432 D CA 0.892 54.901 54.000 0.015 0.000 0.866 432 D CB -0.048 40.762 40.800 0.016 0.000 0.913 432 D HN 0.355 nan 8.370 nan 0.000 0.523 433 A N -0.235 122.607 122.820 0.037 0.000 2.469 433 A HA 0.454 4.775 4.320 0.000 0.000 0.245 433 A C 0.400 178.024 177.584 0.067 0.000 1.221 433 A CA -0.220 51.871 52.037 0.089 0.000 0.946 433 A CB 0.330 19.367 19.000 0.061 0.000 1.049 433 A HN 0.205 nan 8.150 nan 0.000 0.529 434 L N 0.241 121.391 121.223 -0.122 0.000 2.359 434 L HA 0.461 4.801 4.340 0.000 0.000 0.256 434 L C -2.569 173.949 176.870 -0.585 0.000 1.026 434 L CA -2.563 52.027 54.840 -0.416 0.000 0.828 434 L CB 2.439 44.379 42.059 -0.199 0.000 1.406 434 L HN -0.068 nan 8.230 nan 0.000 0.413 435 P HA 0.040 nan 4.420 nan 0.000 0.272 435 P C 0.078 177.270 177.300 -0.181 0.000 1.223 435 P CA -0.165 62.705 63.100 -0.384 0.000 0.784 435 P CB 1.145 32.691 31.700 -0.257 0.000 0.923 436 A N 3.116 125.877 122.820 -0.099 0.000 1.908 436 A HA -0.243 4.077 4.320 0.000 0.000 0.218 436 A C 2.085 179.641 177.584 -0.047 0.000 1.181 436 A CA 2.136 54.139 52.037 -0.056 0.000 0.627 436 A CB -1.382 17.602 19.000 -0.026 0.000 0.818 436 A HN 0.741 nan 8.150 nan 0.000 0.445 437 E N -0.781 119.393 120.200 -0.044 0.000 2.160 437 E HA -0.179 4.171 4.350 0.000 0.000 0.195 437 E C 1.698 178.277 176.600 -0.035 0.000 0.991 437 E CA 1.724 58.106 56.400 -0.030 0.000 0.810 437 E CB -0.768 28.918 29.700 -0.023 0.000 0.742 437 E HN 0.465 nan 8.360 nan 0.000 0.466 438 T N 1.468 115.988 114.554 -0.058 0.000 2.732 438 T HA -0.109 4.241 4.350 0.000 0.000 0.261 438 T C 2.129 176.802 174.700 -0.045 0.000 1.040 438 T CA 1.912 63.980 62.100 -0.054 0.000 1.145 438 T CB -0.350 68.470 68.868 -0.080 0.000 0.866 438 T HN 0.336 nan 8.240 nan 0.000 0.427 439 V N 1.124 121.004 119.914 -0.058 0.000 2.594 439 V HA -0.059 4.061 4.120 0.000 0.000 0.253 439 V C 1.724 177.804 176.094 -0.025 0.000 1.069 439 V CA 1.501 63.771 62.300 -0.050 0.000 1.082 439 V CB -0.680 31.104 31.823 -0.065 0.000 0.680 439 V HN 0.337 nan 8.190 nan 0.000 0.469 440 N N 0.329 119.020 118.700 -0.014 0.000 2.392 440 N HA 0.074 4.814 4.740 0.000 0.000 0.177 440 N C 0.997 176.513 175.510 0.010 0.000 1.066 440 N CA 0.201 53.256 53.050 0.008 0.000 0.895 440 N CB -0.101 38.392 38.487 0.010 0.000 0.988 440 N HN 0.510 nan 8.380 nan 0.000 0.457 441 R N 2.377 122.877 120.500 -0.000 0.000 2.343 441 R HA 0.133 4.474 4.340 0.000 0.000 0.326 441 R C -2.264 174.039 176.300 0.006 0.000 1.055 441 R CA -1.155 54.946 56.100 0.002 0.000 0.961 441 R CB 0.334 30.631 30.300 -0.004 0.000 0.978 441 R HN -0.046 nan 8.270 nan 0.000 0.443 442 P HA -0.044 nan 4.420 nan 0.000 0.271 442 P C -0.193 177.110 177.300 0.006 0.000 1.233 442 P CA -0.067 63.041 63.100 0.015 0.000 0.789 442 P CB 0.597 32.306 31.700 0.016 0.000 0.951 443 K N 0.875 121.278 120.400 0.005 0.000 2.432 443 K HA 0.010 4.330 4.320 0.000 0.000 0.196 443 K C 0.804 177.403 176.600 -0.002 0.000 1.038 443 K CA 0.301 56.588 56.287 -0.001 0.000 0.986 443 K CB -0.298 32.199 32.500 -0.005 0.000 0.782 443 K HN 0.277 nan 8.250 nan 0.000 0.485 444 L N 0.180 121.402 121.223 -0.001 0.000 2.341 444 L HA 0.084 4.425 4.340 0.000 0.000 0.185 444 L C 1.087 177.954 176.870 -0.004 0.000 1.091 444 L CA 0.720 55.558 54.840 -0.004 0.000 0.899 444 L CB -0.459 41.598 42.059 -0.004 0.000 1.357 444 L HN 0.464 nan 8.230 nan 0.000 0.535 453 T N 2.755 117.318 114.554 0.014 0.000 2.922 453 T HA 0.646 4.997 4.350 0.000 0.000 0.285 453 T C 0.768 175.489 174.700 0.035 0.000 1.005 453 T CA -0.578 61.536 62.100 0.023 0.000 1.061 453 T CB 0.980 69.861 68.868 0.021 0.000 1.007 453 T HN 0.811 nan 8.240 nan 0.000 0.502 454 S N 1.431 117.163 115.700 0.053 0.000 2.601 454 S HA 0.216 4.686 4.470 0.000 0.000 0.271 454 S C 1.547 176.204 174.600 0.095 0.000 1.305 454 S CA -0.625 57.621 58.200 0.076 0.000 1.022 454 S CB 1.004 64.269 63.200 0.109 0.000 0.940 454 S HN 0.540 nan 8.310 nan 0.000 0.525 455 S N 1.059 116.819 115.700 0.100 0.000 2.368 455 S HA -0.122 4.349 4.470 0.000 0.000 0.226 455 S C 1.334 176.052 174.600 0.198 0.000 1.044 455 S CA 1.566 59.833 58.200 0.111 0.000 1.062 455 S CB -0.800 62.447 63.200 0.079 0.000 0.931 455 S HN 0.712 nan 8.310 nan 0.000 0.440 456 F N 2.407 122.372 119.950 0.025 0.000 2.126 456 F HA -0.125 4.402 4.527 0.000 0.000 0.299 456 F C 2.519 178.336 175.800 0.029 0.000 1.096 456 F CA 1.170 59.186 58.000 0.026 0.000 1.255 456 F CB -1.101 37.912 39.000 0.023 0.000 0.997 456 F HN 0.114 nan 8.300 nan 0.000 0.479 457 S N -0.122 115.626 115.700 0.080 0.000 2.357 457 S HA -0.169 4.301 4.470 0.000 0.000 0.221 457 S C 2.016 176.625 174.600 0.014 0.000 1.031 457 S CA 1.173 59.350 58.200 -0.039 0.000 0.982 457 S CB -0.297 62.899 63.200 -0.007 0.000 0.853 457 S HN 0.295 nan 8.310 nan 0.000 0.458 458 R N 1.728 122.262 120.500 0.056 0.000 2.091 458 R HA -0.029 4.311 4.340 0.000 0.000 0.238 458 R C 2.174 178.520 176.300 0.076 0.000 1.136 458 R CA 1.003 57.136 56.100 0.055 0.000 0.959 458 R CB -0.919 29.411 30.300 0.050 0.000 0.856 458 R HN 0.315 nan 8.270 nan 0.000 0.437 459 L N 0.061 121.358 121.223 0.123 0.000 1.997 459 L HA -0.216 4.125 4.340 0.000 0.000 0.216 459 L C 1.764 178.759 176.870 0.208 0.000 1.074 459 L CA 2.005 56.953 54.840 0.179 0.000 0.763 459 L CB -0.898 41.313 42.059 0.254 0.000 0.890 459 L HN 0.336 nan 8.230 nan 0.000 0.434 460 L N -0.941 120.349 121.223 0.112 0.000 2.156 460 L HA -0.171 4.170 4.340 0.000 0.000 0.208 460 L C 2.657 179.576 176.870 0.082 0.000 1.095 460 L CA 0.862 55.743 54.840 0.067 0.000 0.770 460 L CB -1.283 40.726 42.059 -0.084 0.000 0.914 460 L HN 0.296 nan 8.230 nan 0.000 0.439 461 L N 0.163 121.415 121.223 0.048 0.000 2.046 461 L HA -0.184 4.156 4.340 0.000 0.000 0.208 461 L C 2.010 178.906 176.870 0.043 0.000 1.077 461 L CA 1.591 56.452 54.840 0.034 0.000 0.747 461 L CB -0.890 41.180 42.059 0.019 0.000 0.896 461 L HN 0.210 nan 8.230 nan 0.000 0.432 462 D N -2.000 118.428 120.400 0.047 0.000 2.350 462 D HA -0.130 4.510 4.640 0.000 0.000 0.216 462 D C 1.782 178.052 176.300 -0.051 0.000 0.968 462 D CA 0.779 54.776 54.000 -0.005 0.000 0.894 462 D CB -0.026 40.759 40.800 -0.025 0.000 0.909 462 D HN 0.420 nan 8.370 nan 0.000 0.520 463 H N -0.940 118.133 119.070 0.006 0.000 2.539 463 H HA 0.219 4.775 4.556 0.000 0.000 0.269 463 H C 1.297 176.625 175.328 -0.000 0.000 0.980 463 H CA 0.810 56.861 56.048 0.005 0.000 1.152 463 H CB 0.798 30.565 29.762 0.008 0.000 1.407 463 H HN 0.176 nan 8.280 nan 0.000 0.564 464 G N 1.053 109.904 108.800 0.085 0.000 2.141 464 G HA2 -0.268 3.692 3.960 0.000 0.000 0.242 464 G HA3 -0.268 3.692 3.960 0.000 0.000 0.242 464 G C 0.239 175.164 174.900 0.041 0.000 0.982 464 G CA 0.323 45.452 45.100 0.049 0.000 0.662 464 G HN 0.184 nan 8.290 nan 0.000 0.527 465 V N 1.350 121.291 119.914 0.046 0.000 2.555 465 V HA 0.598 4.719 4.120 0.000 0.000 0.286 465 V C 1.294 177.392 176.094 0.007 0.000 1.044 465 V CA -0.169 62.142 62.300 0.018 0.000 1.026 465 V CB 1.013 32.836 31.823 -0.000 0.000 0.981 465 V HN 1.218 nan 8.190 nan 0.000 0.480 466 A N 3.893 126.715 122.820 0.002 0.000 2.531 466 A HA 0.111 4.431 4.320 0.000 0.000 0.236 466 A C 1.295 178.877 177.584 -0.004 0.000 1.062 466 A CA -0.013 52.023 52.037 -0.000 0.000 0.760 466 A CB -0.027 18.972 19.000 -0.001 0.000 0.995 466 A HN 0.971 nan 8.150 nan 0.000 0.501 467 E N 0.723 120.921 120.200 -0.004 0.000 2.085 467 E HA -0.223 4.127 4.350 0.000 0.000 0.194 467 E C 0.636 177.233 176.600 -0.004 0.000 0.994 467 E CA 1.624 58.021 56.400 -0.005 0.000 0.801 467 E CB -0.050 29.648 29.700 -0.004 0.000 0.743 467 E HN 0.918 nan 8.360 nan 0.000 0.453 468 D N -0.538 119.859 120.400 -0.004 0.000 2.332 468 D HA -0.075 4.565 4.640 0.000 0.000 0.244 468 D C 0.958 177.259 176.300 0.002 0.000 1.136 468 D CA 0.232 54.230 54.000 -0.003 0.000 0.884 468 D CB 0.126 40.921 40.800 -0.007 0.000 0.906 468 D HN -0.032 nan 8.370 nan 0.000 0.520 469 R N -0.455 120.045 120.500 -0.000 0.000 2.539 469 R HA 0.189 4.529 4.340 0.000 0.000 0.342 469 R C 1.550 177.840 176.300 -0.017 0.000 0.941 469 R CA -0.019 56.079 56.100 -0.003 0.000 1.146 469 R CB 0.172 30.467 30.300 -0.008 0.000 1.541 469 R HN 0.093 nan 8.270 nan 0.000 0.525 470 V N 0.465 120.367 119.914 -0.021 0.000 2.237 470 V HA -0.268 3.853 4.120 0.000 0.000 0.245 470 V C 2.247 178.282 176.094 -0.097 0.000 1.046 470 V CA 2.356 64.615 62.300 -0.067 0.000 1.007 470 V CB -0.634 31.153 31.823 -0.060 0.000 0.638 470 V HN 0.327 nan 8.190 nan 0.000 0.445 471 H N 0.583 119.585 119.070 -0.114 0.000 2.265 471 H HA -0.266 4.290 4.556 0.000 0.000 0.293 471 H C 2.261 177.531 175.328 -0.098 0.000 1.089 471 H CA 2.482 58.464 56.048 -0.109 0.000 1.244 471 H CB -0.101 29.624 29.762 -0.061 0.000 1.355 471 H HN 0.439 nan 8.280 nan 0.000 0.485 472 E N 0.133 120.345 120.200 0.021 0.000 2.160 472 E HA -0.125 4.225 4.350 0.000 0.000 0.195 472 E C 2.148 178.691 176.600 -0.095 0.000 0.991 472 E CA 1.227 57.612 56.400 -0.024 0.000 0.810 472 E CB -0.520 29.194 29.700 0.024 0.000 0.742 472 E HN 0.579 nan 8.360 nan 0.000 0.466 473 A N 0.599 123.350 122.820 -0.115 0.000 1.968 473 A HA -0.131 4.189 4.320 0.000 0.000 0.217 473 A C 1.963 179.441 177.584 -0.177 0.000 1.169 473 A CA 1.437 53.399 52.037 -0.125 0.000 0.638 473 A CB -0.295 18.632 19.000 -0.121 0.000 0.812 473 A HN 0.186 nan 8.150 nan 0.000 0.446 474 K N -0.720 119.491 120.400 -0.315 0.000 2.288 474 K HA -0.085 4.235 4.320 0.000 0.000 0.201 474 K C 2.203 178.721 176.600 -0.137 0.000 1.048 474 K CA 1.121 57.156 56.287 -0.420 0.000 0.956 474 K CB -0.070 31.925 32.500 -0.843 0.000 0.746 474 K HN 0.497 nan 8.250 nan 0.000 0.461 475 R N 1.538 121.930 120.500 -0.179 0.000 2.073 475 R HA -0.098 4.243 4.340 0.000 0.000 0.229 475 R C 2.019 178.298 176.300 -0.035 0.000 1.120 475 R CA 1.278 57.316 56.100 -0.103 0.000 0.967 475 R CB 0.095 30.326 30.300 -0.115 0.000 0.862 475 R HN 0.179 nan 8.270 nan 0.000 0.436 476 Q N -0.220 119.557 119.800 -0.038 0.000 2.167 476 Q HA -0.104 4.237 4.340 0.000 0.000 0.202 476 Q C 2.119 178.128 176.000 0.015 0.000 0.970 476 Q CA 1.529 57.323 55.803 -0.015 0.000 0.855 476 Q CB 0.182 28.906 28.738 -0.024 0.000 0.911 476 Q HN 0.216 nan 8.270 nan 0.000 0.438 477 V N 0.082 120.019 119.914 0.038 0.000 2.270 477 V HA -0.223 3.898 4.120 0.000 0.000 0.245 477 V C 2.230 178.391 176.094 0.111 0.000 1.043 477 V CA 1.467 63.824 62.300 0.095 0.000 1.014 477 V CB -0.487 31.462 31.823 0.210 0.000 0.645 477 V HN 0.169 nan 8.190 nan 0.000 0.447 478 V N 0.342 120.343 119.914 0.145 0.000 2.392 478 V HA -0.274 3.846 4.120 0.000 0.000 0.249 478 V C 2.605 178.762 176.094 0.104 0.000 1.059 478 V CA 2.355 64.728 62.300 0.123 0.000 1.051 478 V CB -0.866 31.034 31.823 0.129 0.000 0.658 478 V HN 0.513 nan 8.190 nan 0.000 0.455 479 R N 0.840 121.377 120.500 0.061 0.000 2.073 479 R HA -0.185 4.156 4.340 0.000 0.000 0.234 479 R C 2.274 178.633 176.300 0.098 0.000 1.134 479 R CA 2.204 58.331 56.100 0.044 0.000 0.952 479 R CB -0.604 29.694 30.300 -0.004 0.000 0.850 479 R HN 0.624 nan 8.270 nan 0.000 0.433 480 E N -0.187 120.054 120.200 0.068 0.000 2.150 480 E HA -0.143 4.207 4.350 0.000 0.000 0.193 480 E C 1.860 178.498 176.600 0.064 0.000 0.985 480 E CA 1.133 57.568 56.400 0.058 0.000 0.814 480 E CB -0.051 29.667 29.700 0.029 0.000 0.752 480 E HN 0.407 nan 8.360 nan 0.000 0.466 481 L N 0.038 121.303 121.223 0.069 0.000 2.141 481 L HA -0.122 4.218 4.340 0.000 0.000 0.209 481 L C 2.311 179.220 176.870 0.066 0.000 1.094 481 L CA 0.708 55.570 54.840 0.036 0.000 0.763 481 L CB -0.357 41.717 42.059 0.026 0.000 0.908 481 L HN 0.219 nan 8.230 nan 0.000 0.437 482 F N 1.230 121.170 119.950 -0.016 0.000 2.113 482 F HA -0.207 4.320 4.527 0.000 0.000 0.297 482 F C 2.193 177.982 175.800 -0.018 0.000 1.103 482 F CA 1.646 59.640 58.000 -0.011 0.000 1.248 482 F CB -0.145 38.848 39.000 -0.011 0.000 0.999 482 F HN 0.071 nan 8.300 nan 0.000 0.475 483 D N 0.674 121.237 120.400 0.272 0.000 2.123 483 D HA -0.195 4.445 4.640 0.000 0.000 0.196 483 D C 2.441 178.744 176.300 0.005 0.000 0.992 483 D CA 1.614 55.701 54.000 0.144 0.000 0.833 483 D CB -0.547 40.322 40.800 0.115 0.000 0.954 483 D HN 0.331 nan 8.370 nan 0.000 0.455 484 L N 0.409 121.623 121.223 -0.016 0.000 2.027 484 L HA -0.137 4.203 4.340 0.000 0.000 0.206 484 L C 2.620 179.423 176.870 -0.113 0.000 1.074 484 L CA 1.673 56.476 54.840 -0.062 0.000 0.745 484 L CB -0.724 41.295 42.059 -0.067 0.000 0.898 484 L HN 0.194 nan 8.230 nan 0.000 0.433 485 T N -3.445 111.020 114.554 -0.148 0.000 2.837 485 T HA -0.030 4.320 4.350 0.000 0.000 0.242 485 T C 1.780 176.398 174.700 -0.136 0.000 1.044 485 T CA 0.826 62.824 62.100 -0.169 0.000 1.202 485 T CB -0.801 67.943 68.868 -0.208 0.000 0.905 485 T HN -0.014 nan 8.240 nan 0.000 0.413 486 V N 2.017 121.747 119.914 -0.307 0.000 2.295 486 V HA 0.072 4.192 4.120 0.000 0.000 0.246 486 V C 2.808 178.641 176.094 -0.434 0.000 1.049 486 V CA 1.996 63.992 62.300 -0.506 0.000 1.024 486 V CB -1.319 29.790 31.823 -1.191 0.000 0.648 486 V HN 0.780 nan 8.190 nan 0.000 0.447 487 G N -1.447 107.104 108.800 -0.416 0.000 3.337 487 G HA2 0.390 4.350 3.960 0.000 0.000 0.246 487 G HA3 0.390 4.350 3.960 0.000 0.000 0.246 487 G C 1.004 175.853 174.900 -0.085 0.000 1.131 487 G CA 0.640 45.643 45.100 -0.163 0.000 0.773 487 G HN 0.588 nan 8.290 nan 0.000 0.544 488 G N -1.022 107.717 108.800 -0.101 0.000 2.759 488 G HA2 0.402 4.362 3.960 0.000 0.000 0.197 488 G HA3 0.402 4.362 3.960 0.000 0.000 0.197 488 G C 1.043 175.907 174.900 -0.061 0.000 1.067 488 G CA 0.542 45.603 45.100 -0.064 0.000 0.742 488 G HN 1.243 nan 8.290 nan 0.000 0.651 489 G N -0.224 108.536 108.800 -0.067 0.000 2.168 489 G HA2 -0.191 3.770 3.960 0.000 0.000 0.197 489 G HA3 -0.191 3.770 3.960 0.000 0.000 0.197 489 G C 0.285 175.158 174.900 -0.047 0.000 0.997 489 G CA -0.170 44.906 45.100 -0.040 0.000 0.658 489 G HN 0.578 nan 8.290 nan 0.000 0.513 490 R N 0.579 121.022 120.500 -0.094 0.000 2.349 490 R HA 0.457 4.798 4.340 0.000 0.000 0.299 490 R C 0.062 176.202 176.300 -0.267 0.000 1.027 490 R CA -0.832 55.188 56.100 -0.134 0.000 0.958 490 R CB 0.958 31.177 30.300 -0.136 0.000 1.047 490 R HN 0.348 nan 8.270 nan 0.000 0.468 491 H N 4.114 122.950 119.070 -0.390 0.000 2.629 491 H HA 0.064 4.620 4.556 0.000 0.000 0.357 491 H C -1.718 173.136 175.328 -0.791 0.000 1.121 491 H CA -1.838 53.784 56.048 -0.710 0.000 1.406 491 H CB 1.625 31.097 29.762 -0.484 0.000 1.456 491 H HN 0.304 nan 8.280 nan 0.000 0.579 492 P HA -0.201 nan 4.420 nan 0.000 0.217 492 P C 1.539 178.479 177.300 -0.601 0.000 1.148 492 P CA 2.197 64.609 63.100 -1.148 0.000 0.834 492 P CB 0.118 30.579 31.700 -2.065 0.000 0.783 493 S N 0.121 115.683 115.700 -0.230 0.000 2.423 493 S HA -0.184 4.286 4.470 0.000 0.000 0.231 493 S C 1.495 176.069 174.600 -0.043 0.000 1.014 493 S CA 1.047 59.263 58.200 0.027 0.000 0.965 493 S CB -1.106 62.169 63.200 0.125 0.000 0.785 493 S HN 0.426 nan 8.310 nan 0.000 0.495 494 E N 0.725 120.871 120.200 -0.091 0.000 2.370 494 E HA 0.354 4.704 4.350 0.000 0.000 0.194 494 E C -0.721 175.821 176.600 -0.097 0.000 1.057 494 E CA -0.406 55.943 56.400 -0.084 0.000 1.011 494 E CB 0.334 29.984 29.700 -0.083 0.000 1.132 494 E HN 0.285 nan 8.360 nan 0.000 0.450 495 V N 1.883 121.726 119.914 -0.117 0.000 2.384 495 V HA 0.089 4.209 4.120 0.000 0.000 0.287 495 V C -0.367 175.688 176.094 -0.064 0.000 1.020 495 V CA -0.906 61.329 62.300 -0.108 0.000 0.850 495 V CB 1.501 33.227 31.823 -0.162 0.000 0.987 495 V HN 0.205 nan 8.190 nan 0.000 0.436 496 D N 3.627 124.001 120.400 -0.044 0.000 2.470 496 D HA 0.109 4.750 4.640 0.000 0.000 0.226 496 D C 1.328 177.619 176.300 -0.015 0.000 1.196 496 D CA 0.152 54.139 54.000 -0.021 0.000 0.979 496 D CB 1.108 41.899 40.800 -0.015 0.000 1.059 496 D HN 0.587 nan 8.370 nan 0.000 0.515 497 T N 2.109 116.656 114.554 -0.010 0.000 2.788 497 T HA -0.165 4.185 4.350 0.000 0.000 0.268 497 T C 0.968 175.677 174.700 0.016 0.000 1.044 497 T CA 1.326 63.425 62.100 -0.002 0.000 1.139 497 T CB -0.036 68.834 68.868 0.003 0.000 0.867 497 T HN 0.409 nan 8.240 nan 0.000 0.454 498 D N 1.168 121.585 120.400 0.029 0.000 2.117 498 D HA -0.117 4.523 4.640 0.000 0.000 0.197 498 D C 2.002 178.322 176.300 0.033 0.000 0.987 498 D CA 0.960 54.992 54.000 0.053 0.000 0.829 498 D CB -0.319 40.516 40.800 0.059 0.000 0.961 498 D HN 0.341 nan 8.370 nan 0.000 0.460 499 D N 0.473 120.883 120.400 0.017 0.000 2.097 499 D HA -0.126 4.514 4.640 0.000 0.000 0.195 499 D C 2.119 178.413 176.300 -0.010 0.000 0.989 499 D CA 0.820 54.824 54.000 0.006 0.000 0.827 499 D CB 0.099 40.900 40.800 0.001 0.000 0.966 499 D HN 0.046 nan 8.370 nan 0.000 0.456 500 V N 0.962 120.869 119.914 -0.012 0.000 2.282 500 V HA -0.250 3.870 4.120 0.000 0.000 0.249 500 V C 2.858 178.930 176.094 -0.035 0.000 1.057 500 V CA 1.428 63.719 62.300 -0.016 0.000 1.032 500 V CB -0.588 31.232 31.823 -0.006 0.000 0.645 500 V HN 0.125 nan 8.190 nan 0.000 0.447 501 V N -0.238 119.646 119.914 -0.050 0.000 2.427 501 V HA -0.227 3.893 4.120 0.000 0.000 0.248 501 V C 2.534 178.465 176.094 -0.271 0.000 1.051 501 V CA 2.201 64.419 62.300 -0.135 0.000 1.048 501 V CB -0.825 30.923 31.823 -0.126 0.000 0.666 501 V HN 0.476 nan 8.190 nan 0.000 0.456 502 R N 0.100 120.496 120.500 -0.173 0.000 2.075 502 R HA -0.139 4.202 4.340 0.000 0.000 0.232 502 R C 2.502 178.760 176.300 -0.070 0.000 1.126 502 R CA 1.813 57.847 56.100 -0.109 0.000 0.963 502 R CB -0.208 30.108 30.300 0.027 0.000 0.858 502 R HN 0.525 nan 8.270 nan 0.000 0.435 503 S N -0.000 115.670 115.700 -0.050 0.000 2.356 503 S HA -0.106 4.364 4.470 0.000 0.000 0.223 503 S C 1.964 176.540 174.600 -0.041 0.000 1.032 503 S CA 1.359 59.541 58.200 -0.032 0.000 1.005 503 S CB -0.191 62.996 63.200 -0.021 0.000 0.867 503 S HN 0.139 nan 8.310 nan 0.000 0.449 504 V N 2.246 122.126 119.914 -0.057 0.000 2.332 504 V HA -0.224 3.897 4.120 0.000 0.000 0.248 504 V C 2.680 178.735 176.094 -0.065 0.000 1.055 504 V CA 1.726 63.993 62.300 -0.055 0.000 1.038 504 V CB -1.286 30.503 31.823 -0.058 0.000 0.651 504 V HN 0.543 nan 8.190 nan 0.000 0.450 505 A N -0.053 122.706 122.820 -0.102 0.000 1.908 505 A HA -0.268 4.052 4.320 0.000 0.000 0.218 505 A C 1.987 179.556 177.584 -0.025 0.000 1.181 505 A CA 2.145 54.136 52.037 -0.077 0.000 0.627 505 A CB -0.663 18.261 19.000 -0.127 0.000 0.818 505 A HN 0.543 nan 8.150 nan 0.000 0.445 506 D N -0.633 119.755 120.400 -0.019 0.000 2.097 506 D HA -0.124 4.516 4.640 0.000 0.000 0.195 506 D C 2.196 178.492 176.300 -0.005 0.000 0.989 506 D CA 1.202 55.201 54.000 -0.001 0.000 0.827 506 D CB -0.354 40.447 40.800 0.002 0.000 0.966 506 D HN 0.412 nan 8.370 nan 0.000 0.456 507 R N 0.040 120.532 120.500 -0.013 0.000 2.081 507 R HA -0.052 4.288 4.340 0.000 0.000 0.235 507 R C 1.512 177.805 176.300 -0.011 0.000 1.131 507 R CA 0.989 57.082 56.100 -0.011 0.000 0.960 507 R CB -0.504 29.787 30.300 -0.014 0.000 0.856 507 R HN 0.153 nan 8.270 nan 0.000 0.436 508 T N 0.000 114.544 114.554 -0.017 0.000 3.816 508 T HA 0.000 4.350 4.350 0.000 0.000 0.228 508 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 508 T CB 0.000 68.853 68.868 -0.024 0.000 0.612 508 T HN 0.000 nan 8.240 nan 0.000 0.658