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 3d3a_1_A DATA FIRST_RESID 22 DATA SEQUENCE SLSEGTFEVG KNTFLLNGEP FVVKAAEIHY PRIPKEYWEH RIKXCKALGX DATA SEQUENCE NTICLYVFWN FHEPEEGRYD FAGQKDIAAF CRLAQENGXY VIVRPGPYVC DATA SEQUENCE AEWEXGGLPW WLLKKKDIKL REQDPYYXER VKLFLNEVGK QLADLQISKG DATA SEQUENCE GNIIXVQVEN EYGAFGIDKP YISEIRDXVK QAGFTGVPLF QCDWNSNFEN DATA SEQUENCE NALDDLLWTI NFGTGANIDE QFKRLKELRP DTPLXCSEFW SGWFDHWGAK DATA SEQUENCE HETRSAEELV KGXKEXLDRN ISFSLYXTHG GTSFGHWGGA NFPNFSPTCT DATA SEQUENCE SYDYDAPINE SGKVTPKYLE VRNLLGNYLP EGETLPEIPD SIPTIAIPTI DATA SEQUENCE KXTEXAVLFD NLPHPKESED IRTXEAFDQG WGSILYRTSL SASDKEQTLL DATA SEQUENCE ITEAHDWAQV FLNGKKLATL SRLKGEGVVK LPPLKEGDRL DILVEAXGRX DATA SEQUENCE NFGKGIYDWK GITEKVELQS DKGVELVKDW QVYTIPVDYS FARDKQYKQX DATA SEQUENCE XXXXNQPAYY RSTFNLNELG DTFLNXXNWS KGXVWVNGHA IGRYWEIGPQ DATA SEQUENCE QTLYVPGCWL KKGENEIIIL DXAGPSKAET EGLRQPILDV QRGNGAYAHR DATA SEQUENCE KXGEGHHHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 22 S HA 0.000 nan 4.470 nan 0.000 0.327 22 S C 0.000 174.588 174.600 -0.019 0.000 1.055 22 S CA 0.000 58.187 58.200 -0.022 0.000 1.107 22 S CB 0.000 63.185 63.200 -0.026 0.000 0.593 23 L N 1.838 123.049 121.223 -0.020 0.000 2.464 23 L HA 0.427 4.768 4.340 0.002 0.000 0.264 23 L C 0.968 177.829 176.870 -0.015 0.000 1.199 23 L CA -0.557 54.273 54.840 -0.017 0.000 0.818 23 L CB 0.688 42.736 42.059 -0.018 0.000 1.102 23 L HN 0.784 nan 8.230 nan 0.000 0.473 24 S N 0.254 115.947 115.700 -0.012 0.000 2.584 24 S HA 0.088 4.559 4.470 0.002 0.000 0.270 24 S C -0.237 174.358 174.600 -0.009 0.000 1.346 24 S CA -0.546 57.648 58.200 -0.010 0.000 1.018 24 S CB 0.440 63.635 63.200 -0.007 0.000 0.899 24 S HN 0.437 nan 8.310 nan 0.000 0.542 25 E N 0.905 121.100 120.200 -0.008 0.000 2.081 25 E HA 0.439 4.790 4.350 0.002 0.000 0.276 25 E C 0.399 176.997 176.600 -0.003 0.000 0.950 25 E CA -0.505 55.891 56.400 -0.007 0.000 0.776 25 E CB 1.101 30.795 29.700 -0.010 0.000 1.094 25 E HN 0.631 nan 8.360 nan 0.000 0.402 26 G N 1.880 110.681 108.800 0.002 0.000 2.522 26 G HA2 0.524 4.485 3.960 0.002 0.000 0.304 26 G HA3 0.524 4.485 3.960 0.002 0.000 0.304 26 G C -0.276 174.626 174.900 0.004 0.000 1.210 26 G CA -0.286 44.816 45.100 0.004 0.000 0.960 26 G HN 0.452 nan 8.290 nan 0.000 0.497 27 T N -3.127 111.427 114.554 -0.001 0.000 2.900 27 T HA 0.646 4.997 4.350 0.002 0.000 0.303 27 T C -1.596 173.127 174.700 0.039 0.000 1.142 27 T CA -0.720 61.387 62.100 0.011 0.000 1.007 27 T CB 2.017 70.877 68.868 -0.013 0.000 1.156 27 T HN 0.539 nan 8.240 nan 0.000 0.490 28 F N 0.803 120.679 119.950 -0.124 0.000 2.562 28 F HA 0.648 5.176 4.527 0.002 0.000 0.319 28 F C -0.770 174.985 175.800 -0.075 0.000 1.154 28 F CA -0.588 57.316 58.000 -0.159 0.000 0.931 28 F CB 1.798 40.659 39.000 -0.232 0.000 1.198 28 F HN 0.839 nan 8.300 nan 0.000 0.444 29 E N 3.508 123.431 120.200 -0.461 0.000 2.369 29 E HA 0.519 4.871 4.350 0.002 0.000 0.270 29 E C -1.484 174.975 176.600 -0.234 0.000 0.909 29 E CA -1.294 54.961 56.400 -0.241 0.000 0.775 29 E CB 2.827 32.436 29.700 -0.152 0.000 1.270 29 E HN 0.284 nan 8.360 nan 0.000 0.445 30 V N 2.606 122.475 119.914 -0.074 0.000 2.356 30 V HA 0.298 4.419 4.120 0.002 0.000 0.258 30 V C 0.606 176.627 176.094 -0.122 0.000 1.065 30 V CA 0.055 62.334 62.300 -0.035 0.000 0.935 30 V CB 0.367 32.192 31.823 0.004 0.000 1.061 30 V HN 0.764 nan 8.190 nan 0.000 0.484 31 G N 3.856 112.551 108.800 -0.175 0.000 2.543 31 G HA2 0.313 4.274 3.960 0.002 0.000 0.267 31 G HA3 0.313 4.274 3.960 0.002 0.000 0.267 31 G C -0.162 174.632 174.900 -0.176 0.000 1.406 31 G CA -0.696 44.308 45.100 -0.160 0.000 1.048 31 G HN 0.573 nan 8.290 nan 0.000 0.548 32 K N 0.431 120.743 120.400 -0.146 0.000 2.250 32 K HA 0.159 4.480 4.320 0.002 0.000 0.285 32 K C -0.053 176.451 176.600 -0.159 0.000 1.097 32 K CA 0.074 56.279 56.287 -0.136 0.000 0.913 32 K CB -0.549 31.892 32.500 -0.099 0.000 1.179 32 K HN 0.559 nan 8.250 nan 0.000 0.462 33 N N 1.045 119.627 118.700 -0.197 0.000 2.741 33 N HA -0.220 4.521 4.740 0.002 0.000 0.250 33 N C -1.067 174.287 175.510 -0.260 0.000 1.115 33 N CA 1.489 54.410 53.050 -0.215 0.000 0.724 33 N CB -0.792 37.605 38.487 -0.150 0.000 1.090 33 N HN 0.641 nan 8.380 nan 0.000 0.558 34 T N -1.563 112.795 114.554 -0.327 0.000 2.831 34 T HA 0.530 4.881 4.350 0.002 0.000 0.333 34 T C -1.749 172.720 174.700 -0.385 0.000 1.684 34 T CA -0.698 61.204 62.100 -0.330 0.000 1.049 34 T CB 0.448 69.216 68.868 -0.168 0.000 1.518 34 T HN 0.033 nan 8.240 nan 0.000 0.491 35 F N 2.175 122.027 119.950 -0.164 0.000 2.377 35 F HA 0.722 5.250 4.527 0.002 0.000 0.328 35 F C 0.182 175.793 175.800 -0.316 0.000 1.094 35 F CA -1.050 56.760 58.000 -0.316 0.000 1.093 35 F CB 1.223 40.069 39.000 -0.257 0.000 1.214 35 F HN 0.324 nan 8.300 nan 0.000 0.518 36 L N 4.178 125.222 121.223 -0.299 0.000 2.372 36 L HA 0.417 4.758 4.340 0.002 0.000 0.274 36 L C -1.218 175.444 176.870 -0.348 0.000 0.988 36 L CA -0.858 53.844 54.840 -0.230 0.000 0.833 36 L CB 1.799 43.755 42.059 -0.171 0.000 1.236 36 L HN 0.380 nan 8.230 nan 0.000 0.410 37 L N 4.739 125.851 121.223 -0.185 0.000 2.264 37 L HA 0.400 4.741 4.340 0.002 0.000 0.287 37 L C 0.388 177.186 176.870 -0.119 0.000 1.039 37 L CA 0.374 55.100 54.840 -0.191 0.000 0.829 37 L CB 0.166 41.960 42.059 -0.442 0.000 1.211 37 L HN 0.671 nan 8.230 nan 0.000 0.427 38 N N 4.229 122.875 118.700 -0.090 0.000 2.738 38 N HA -0.218 4.523 4.740 0.002 0.000 0.249 38 N C 0.936 176.419 175.510 -0.045 0.000 1.047 38 N CA 0.548 53.567 53.050 -0.052 0.000 0.707 38 N CB -1.041 37.426 38.487 -0.034 0.000 0.937 38 N HN 1.205 nan 8.380 nan 0.000 0.545 39 G N -1.369 107.394 108.800 -0.061 0.000 2.205 39 G HA2 -0.332 3.629 3.960 0.002 0.000 0.261 39 G HA3 -0.332 3.629 3.960 0.002 0.000 0.261 39 G C -0.144 174.733 174.900 -0.037 0.000 0.980 39 G CA 0.708 45.778 45.100 -0.050 0.000 0.632 39 G HN 0.451 nan 8.290 nan 0.000 0.533 40 E N 1.431 121.617 120.200 -0.023 0.000 2.191 40 E HA 0.428 4.779 4.350 0.002 0.000 0.274 40 E C -2.345 174.277 176.600 0.037 0.000 0.948 40 E CA -2.012 54.395 56.400 0.012 0.000 0.802 40 E CB 1.866 31.591 29.700 0.042 0.000 1.137 40 E HN 0.219 nan 8.360 nan 0.000 0.397 41 P HA 0.084 nan 4.420 nan 0.000 0.266 41 P C -0.718 176.684 177.300 0.170 0.000 1.195 41 P CA 0.155 63.288 63.100 0.054 0.000 0.768 41 P CB 0.302 32.009 31.700 0.011 0.000 0.838 42 F N 3.015 122.970 119.950 0.008 0.000 2.588 42 F HA 0.340 4.868 4.527 0.002 0.000 0.314 42 F C -1.395 174.469 175.800 0.107 0.000 1.134 42 F CA -0.874 57.155 58.000 0.049 0.000 0.961 42 F CB 1.718 40.753 39.000 0.060 0.000 1.239 42 F HN 0.001 nan 8.300 nan 0.000 0.448 43 V N 6.357 125.970 119.914 -0.502 0.000 2.370 43 V HA 0.339 4.460 4.120 0.002 0.000 0.279 43 V C -0.431 175.308 176.094 -0.592 0.000 1.029 43 V CA -0.849 61.258 62.300 -0.322 0.000 0.870 43 V CB 1.385 33.053 31.823 -0.259 0.000 0.984 43 V HN 0.568 nan 8.190 nan 0.000 0.451 44 V N 6.257 126.031 119.914 -0.234 0.000 2.439 44 V HA 0.208 4.329 4.120 0.002 0.000 0.271 44 V C 0.391 176.158 176.094 -0.544 0.000 1.040 44 V CA -0.255 61.889 62.300 -0.259 0.000 1.002 44 V CB 0.659 32.376 31.823 -0.177 0.000 1.000 44 V HN 0.818 nan 8.190 nan 0.000 0.477 45 K N 4.710 124.778 120.400 -0.554 0.000 2.484 45 K HA 0.652 4.974 4.320 0.002 0.000 0.226 45 K C -0.112 176.240 176.600 -0.414 0.000 1.031 45 K CA -0.073 55.722 56.287 -0.819 0.000 1.026 45 K CB 1.498 33.704 32.500 -0.491 0.000 1.412 45 K HN 0.754 nan 8.250 nan 0.000 0.492 46 A N 1.458 124.050 122.820 -0.381 0.000 2.295 46 A HA 0.796 5.117 4.320 0.002 0.000 0.318 46 A C -0.499 177.090 177.584 0.008 0.000 1.134 46 A CA -0.664 51.300 52.037 -0.122 0.000 0.827 46 A CB 0.980 19.912 19.000 -0.113 0.000 1.136 46 A HN 0.619 nan 8.150 nan 0.000 0.493 47 A N 1.335 124.174 122.820 0.031 0.000 2.288 47 A HA 0.618 4.939 4.320 0.002 0.000 0.320 47 A C -0.294 177.305 177.584 0.026 0.000 1.217 47 A CA -0.464 51.609 52.037 0.060 0.000 0.840 47 A CB 0.449 19.496 19.000 0.079 0.000 1.179 47 A HN 0.817 nan 8.150 nan 0.000 0.504 48 E N 2.071 122.256 120.200 -0.025 0.000 2.259 48 E HA 0.477 4.828 4.350 0.002 0.000 0.281 48 E C -0.683 175.825 176.600 -0.153 0.000 1.037 48 E CA 0.069 56.408 56.400 -0.102 0.000 0.854 48 E CB 0.346 29.906 29.700 -0.234 0.000 1.051 48 E HN 0.447 nan 8.360 nan 0.000 0.409 49 I N 3.879 124.411 120.570 -0.064 0.000 2.730 49 I HA 0.250 4.421 4.170 0.002 0.000 0.298 49 I C -0.638 175.520 176.117 0.068 0.000 1.089 49 I CA -0.571 60.701 61.300 -0.047 0.000 1.041 49 I CB 1.964 40.013 38.000 0.081 0.000 1.235 49 I HN 0.677 nan 8.210 nan 0.000 0.423 50 H N 5.205 124.204 119.070 -0.118 0.000 2.786 50 H HA 0.176 4.733 4.556 0.002 0.000 0.284 50 H C 0.235 175.335 175.328 -0.380 0.000 1.104 50 H CA -0.541 55.361 56.048 -0.244 0.000 1.339 50 H CB 1.033 30.641 29.762 -0.256 0.000 1.427 50 H HN 0.590 nan 8.280 nan 0.000 0.497 51 Y N 2.100 122.209 120.300 -0.317 0.000 2.241 51 Y HA -0.054 4.497 4.550 0.002 0.000 0.286 51 Y C -1.356 174.574 175.900 0.050 0.000 1.166 51 Y CA 0.144 58.021 58.100 -0.372 0.000 1.203 51 Y CB -1.620 36.335 38.460 -0.840 0.000 0.977 51 Y HN 0.392 nan 8.280 nan 0.000 0.529 52 P HA -0.039 nan 4.420 nan 0.000 0.225 52 P C 0.727 177.980 177.300 -0.079 0.000 1.156 52 P CA 1.461 64.147 63.100 -0.689 0.000 0.787 52 P CB 0.104 30.567 31.700 -2.062 0.000 0.802 53 R N -0.603 119.866 120.500 -0.052 0.000 2.356 53 R HA 0.270 4.611 4.340 0.002 0.000 0.234 53 R C 0.185 176.752 176.300 0.445 0.000 0.929 53 R CA 0.200 56.404 56.100 0.173 0.000 1.084 53 R CB -0.079 30.217 30.300 -0.007 0.000 1.105 53 R HN 0.273 nan 8.270 nan 0.000 0.515 54 I N 0.981 121.920 120.570 0.616 0.000 2.534 54 I HA 0.288 4.459 4.170 0.002 0.000 0.288 54 I C -2.579 173.911 176.117 0.621 0.000 1.077 54 I CA -2.930 58.805 61.300 0.724 0.000 1.051 54 I CB 2.562 41.049 38.000 0.812 0.000 1.234 54 I HN -0.328 nan 8.210 nan 0.000 0.425 55 P HA -0.033 nan 4.420 nan 0.000 0.262 55 P C 0.388 177.528 177.300 -0.267 0.000 1.182 55 P CA -0.111 62.930 63.100 -0.098 0.000 0.761 55 P CB 0.496 31.694 31.700 -0.837 0.000 0.795 56 K N 2.825 122.915 120.400 -0.517 0.000 2.218 56 K HA -0.224 4.097 4.320 0.002 0.000 0.205 56 K C 0.768 176.913 176.600 -0.757 0.000 1.046 56 K CA 1.770 57.189 56.287 -1.447 0.000 0.933 56 K CB -0.353 31.464 32.500 -1.138 0.000 0.728 56 K HN 0.272 nan 8.250 nan 0.000 0.454 57 E N -0.137 119.828 120.200 -0.391 0.000 2.347 57 E HA -0.090 4.261 4.350 0.002 0.000 0.196 57 E C 0.650 177.290 176.600 0.065 0.000 1.008 57 E CA 0.704 56.985 56.400 -0.199 0.000 0.852 57 E CB 0.012 29.549 29.700 -0.272 0.000 0.783 57 E HN 0.422 nan 8.360 nan 0.000 0.505 58 Y N -1.949 118.334 120.300 -0.027 0.000 2.467 58 Y HA 0.080 4.632 4.550 0.002 0.000 0.250 58 Y C 0.917 177.020 175.900 0.338 0.000 1.155 58 Y CA -1.152 57.020 58.100 0.120 0.000 1.249 58 Y CB -0.268 38.246 38.460 0.089 0.000 1.146 58 Y HN 0.104 nan 8.280 nan 0.000 0.524 59 W N 1.233 122.749 121.300 0.359 0.000 2.318 59 W HA -0.232 4.429 4.660 0.002 0.000 0.313 59 W C 2.380 178.987 176.519 0.147 0.000 1.221 59 W CA 1.708 59.253 57.345 0.335 0.000 1.266 59 W CB -1.086 28.580 29.460 0.344 0.000 1.150 59 W HN 0.246 nan 8.180 nan 0.000 0.496 60 E N -0.988 119.418 120.200 0.344 0.000 2.038 60 E HA -0.290 4.061 4.350 0.002 0.000 0.195 60 E C 2.340 179.020 176.600 0.133 0.000 1.000 60 E CA 1.704 58.199 56.400 0.159 0.000 0.803 60 E CB -0.697 29.085 29.700 0.136 0.000 0.750 60 E HN 0.213 nan 8.360 nan 0.000 0.448 61 H N 0.749 119.878 119.070 0.098 0.000 2.319 61 H HA -0.126 4.431 4.556 0.002 0.000 0.297 61 H C 2.006 177.336 175.328 0.004 0.000 1.097 61 H CA 1.879 57.937 56.048 0.016 0.000 1.285 61 H CB 0.148 29.874 29.762 -0.060 0.000 1.368 61 H HN 0.062 nan 8.280 nan 0.000 0.495 62 R N 0.395 121.005 120.500 0.182 0.000 2.120 62 R HA -0.050 4.291 4.340 0.002 0.000 0.234 62 R C 2.758 179.088 176.300 0.051 0.000 1.123 62 R CA 0.781 56.935 56.100 0.089 0.000 0.975 62 R CB -0.725 29.712 30.300 0.228 0.000 0.866 62 R HN 0.465 nan 8.270 nan 0.000 0.446 63 I N 0.870 121.476 120.570 0.061 0.000 2.252 63 I HA -0.210 3.961 4.170 0.002 0.000 0.245 63 I C 1.106 177.202 176.117 -0.036 0.000 1.102 63 I CA 1.119 62.419 61.300 -0.001 0.000 1.385 63 I CB -0.162 37.772 38.000 -0.110 0.000 1.064 63 I HN 0.081 nan 8.210 nan 0.000 0.414 67 K N 2.154 122.575 120.400 0.036 0.000 2.025 67 K HA 0.011 4.332 4.320 0.002 0.000 0.207 67 K C 1.921 178.536 176.600 0.025 0.000 1.049 67 K CA 1.672 57.969 56.287 0.017 0.000 0.933 67 K CB -0.206 32.290 32.500 -0.008 0.000 0.714 67 K HN 0.438 nan 8.250 nan 0.000 0.438 68 A N 0.975 123.825 122.820 0.050 0.000 2.121 68 A HA -0.083 4.238 4.320 0.002 0.000 0.218 68 A C 1.882 179.482 177.584 0.027 0.000 1.154 68 A CA 0.798 52.873 52.037 0.063 0.000 0.679 68 A CB -0.356 18.711 19.000 0.112 0.000 0.795 68 A HN 0.382 nan 8.150 nan 0.000 0.458 69 L N -1.383 119.842 121.223 0.002 0.000 2.291 69 L HA 0.298 4.639 4.340 0.002 0.000 0.214 69 L C 1.091 177.890 176.870 -0.119 0.000 1.120 69 L CA 1.513 56.226 54.840 -0.212 0.000 0.799 69 L CB -0.532 41.422 42.059 -0.176 0.000 0.925 69 L HN 0.736 nan 8.230 nan 0.000 0.446 73 T N 0.907 115.509 114.554 0.080 0.000 2.894 73 T HA 0.604 4.955 4.350 0.002 0.000 0.309 73 T C -1.141 173.573 174.700 0.024 0.000 1.208 73 T CA -0.487 61.652 62.100 0.065 0.000 1.016 73 T CB 2.016 70.902 68.868 0.031 0.000 1.192 73 T HN 0.130 nan 8.240 nan 0.000 0.491 74 I N 1.138 121.729 120.570 0.035 0.000 2.465 74 I HA 0.437 4.608 4.170 0.002 0.000 0.291 74 I C -0.478 175.656 176.117 0.028 0.000 1.014 74 I CA -0.721 60.617 61.300 0.062 0.000 1.093 74 I CB 1.569 39.661 38.000 0.153 0.000 1.267 74 I HN 0.560 nan 8.210 nan 0.000 0.431 75 C N 7.002 126.305 119.300 0.005 0.000 2.273 75 C HA 0.550 5.011 4.460 0.002 0.000 0.328 75 C C 0.093 175.063 174.990 -0.033 0.000 1.275 75 C CA -0.586 58.410 59.018 -0.037 0.000 1.704 75 C CB -0.034 27.671 27.740 -0.059 0.000 2.326 75 C HN 0.511 nan 8.230 nan 0.000 0.517 76 L N 4.310 125.505 121.223 -0.047 0.000 2.316 76 L HA 0.402 4.743 4.340 0.002 0.000 0.280 76 L C -0.676 176.176 176.870 -0.030 0.000 1.006 76 L CA -0.501 54.333 54.840 -0.010 0.000 0.836 76 L CB 0.560 42.621 42.059 0.003 0.000 1.221 76 L HN 0.580 nan 8.230 nan 0.000 0.418 77 Y N 2.288 122.530 120.300 -0.097 0.000 2.326 77 Y HA 0.271 4.822 4.550 0.002 0.000 0.333 77 Y C 0.350 176.067 175.900 -0.305 0.000 1.240 77 Y CA -0.171 57.721 58.100 -0.347 0.000 1.365 77 Y CB 1.431 39.425 38.460 -0.776 0.000 1.289 77 Y HN 0.163 nan 8.280 nan 0.000 0.548 78 V N 4.851 124.732 119.914 -0.055 0.000 2.384 78 V HA 0.233 4.354 4.120 0.002 0.000 0.287 78 V C -0.905 175.191 176.094 0.004 0.000 1.020 78 V CA -1.017 61.427 62.300 0.240 0.000 0.850 78 V CB 0.539 32.568 31.823 0.344 0.000 0.987 78 V HN 0.428 nan 8.190 nan 0.000 0.436 79 F N 4.649 124.650 119.950 0.085 0.000 2.368 79 F HA 0.232 4.760 4.527 0.002 0.000 0.362 79 F C 0.836 176.773 175.800 0.228 0.000 1.137 79 F CA -0.443 57.447 58.000 -0.184 0.000 1.161 79 F CB 0.435 38.867 39.000 -0.946 0.000 1.265 79 F HN 0.693 nan 8.300 nan 0.000 0.530 80 W N 4.730 126.025 121.300 -0.008 0.000 2.301 80 W HA -0.327 4.334 4.660 0.002 0.000 0.325 80 W C 1.935 178.484 176.519 0.051 0.000 1.250 80 W CA 2.611 59.725 57.345 -0.384 0.000 1.261 80 W CB -0.769 28.193 29.460 -0.830 0.000 1.157 80 W HN 0.600 nan 8.180 nan 0.000 0.473 81 N N -0.388 118.486 118.700 0.290 0.000 2.364 81 N HA -0.238 4.503 4.740 0.002 0.000 0.183 81 N C 1.607 177.528 175.510 0.686 0.000 1.022 81 N CA 1.749 55.070 53.050 0.453 0.000 0.883 81 N CB -1.716 37.154 38.487 0.638 0.000 0.965 81 N HN 0.163 nan 8.380 nan 0.000 0.438 82 F N 1.144 121.213 119.950 0.197 0.000 2.206 82 F HA -0.038 4.490 4.527 0.002 0.000 0.298 82 F C 2.048 177.808 175.800 -0.065 0.000 1.090 82 F CA 1.314 59.159 58.000 -0.259 0.000 1.323 82 F CB -0.189 38.456 39.000 -0.592 0.000 1.028 82 F HN 0.127 nan 8.300 nan 0.000 0.492 83 H N -1.033 118.233 119.070 0.327 0.000 2.525 83 H HA 0.150 4.707 4.556 0.002 0.000 0.275 83 H C 0.403 175.882 175.328 0.251 0.000 0.984 83 H CA 0.922 57.034 56.048 0.106 0.000 1.264 83 H CB 0.125 29.917 29.762 0.051 0.000 1.432 83 H HN 0.345 nan 8.280 nan 0.000 0.549 84 E N 1.455 121.985 120.200 0.550 0.000 3.666 84 E HA 0.120 4.471 4.350 0.002 0.000 0.230 84 E C -2.053 174.891 176.600 0.573 0.000 1.235 84 E CA -1.734 54.965 56.400 0.498 0.000 1.096 84 E CB 1.055 31.168 29.700 0.689 0.000 1.287 84 E HN 0.069 nan 8.360 nan 0.000 0.406 85 P HA -0.073 nan 4.420 nan 0.000 0.226 85 P C -0.305 177.348 177.300 0.589 0.000 1.153 85 P CA 0.852 64.430 63.100 0.796 0.000 0.777 85 P CB 0.463 32.683 31.700 0.867 0.000 0.794 86 E N 0.112 120.454 120.200 0.236 0.000 2.293 86 E HA 0.184 4.535 4.350 0.002 0.000 0.270 86 E C -0.546 175.629 176.600 -0.708 0.000 0.879 86 E CA -0.880 55.395 56.400 -0.209 0.000 0.756 86 E CB 2.105 31.768 29.700 -0.062 0.000 1.208 86 E HN 0.081 nan 8.360 nan 0.000 0.428 87 E N 0.387 119.656 120.200 -1.551 0.000 2.465 87 E HA 0.081 4.432 4.350 0.002 0.000 0.260 87 E C 0.811 176.975 176.600 -0.727 0.000 0.980 87 E CA 1.239 56.665 56.400 -1.623 0.000 0.927 87 E CB 0.118 28.911 29.700 -1.511 0.000 0.934 87 E HN 0.770 nan 8.360 nan 0.000 0.459 88 G N 4.947 113.380 108.800 -0.612 0.000 2.267 88 G HA2 -0.336 3.625 3.960 0.002 0.000 0.257 88 G HA3 -0.336 3.625 3.960 0.002 0.000 0.257 88 G C 0.418 175.035 174.900 -0.471 0.000 0.998 88 G CA 0.330 45.154 45.100 -0.459 0.000 0.620 88 G HN 0.610 nan 8.290 nan 0.000 0.529 89 R N 0.743 121.006 120.500 -0.395 0.000 3.171 89 R HA 0.396 4.737 4.340 0.002 0.000 0.241 89 R C -0.510 175.736 176.300 -0.090 0.000 1.421 89 R CA -0.429 55.571 56.100 -0.166 0.000 1.444 89 R CB -0.049 30.215 30.300 -0.059 0.000 1.247 89 R HN 0.370 nan 8.270 nan 0.000 0.636 90 Y N 0.599 121.008 120.300 0.182 0.000 2.411 90 Y HA 0.069 4.620 4.550 0.002 0.000 0.333 90 Y C 0.707 176.671 175.900 0.108 0.000 1.186 90 Y CA -0.064 58.157 58.100 0.202 0.000 1.381 90 Y CB 0.511 39.170 38.460 0.332 0.000 1.273 90 Y HN 0.307 nan 8.280 nan 0.000 0.546 91 D N 2.035 122.480 120.400 0.075 0.000 2.863 91 D HA 0.315 4.957 4.640 0.002 0.000 0.245 91 D C -1.342 174.824 176.300 -0.223 0.000 1.211 91 D CA -0.622 53.389 54.000 0.017 0.000 0.888 91 D CB 0.572 41.388 40.800 0.027 0.000 1.483 91 D HN 0.338 nan 8.370 nan 0.000 0.533 92 F N 1.518 121.630 119.950 0.270 0.000 2.777 92 F HA 0.486 5.014 4.527 0.002 0.000 0.361 92 F C 0.421 176.344 175.800 0.205 0.000 1.254 92 F CA -0.487 57.662 58.000 0.249 0.000 1.181 92 F CB 0.907 39.975 39.000 0.113 0.000 1.082 92 F HN 0.325 nan 8.300 nan 0.000 0.510 93 A N -0.312 122.675 122.820 0.279 0.000 2.320 93 A HA 0.799 5.120 4.320 0.002 0.000 0.334 93 A C 1.033 178.733 177.584 0.193 0.000 1.147 93 A CA 0.130 52.294 52.037 0.213 0.000 0.820 93 A CB 0.336 19.425 19.000 0.148 0.000 1.218 93 A HN 0.746 nan 8.150 nan 0.000 0.482 94 G N 0.366 109.265 108.800 0.165 0.000 2.629 94 G HA2 -0.336 3.625 3.960 0.002 0.000 0.313 94 G HA3 -0.336 3.625 3.960 0.002 0.000 0.313 94 G C 1.066 176.076 174.900 0.184 0.000 1.217 94 G CA 0.726 45.894 45.100 0.113 0.000 0.994 94 G HN 0.788 nan 8.290 nan 0.000 0.549 95 Q N 0.712 120.620 119.800 0.180 0.000 2.364 95 Q HA -0.045 4.296 4.340 0.002 0.000 0.209 95 Q C 2.224 178.689 176.000 0.774 0.000 0.977 95 Q CA 1.661 57.699 55.803 0.391 0.000 0.885 95 Q CB -0.117 28.842 28.738 0.369 0.000 0.941 95 Q HN 0.744 nan 8.270 nan 0.000 0.464 96 K N 0.205 120.917 120.400 0.519 0.000 2.372 96 K HA 0.061 4.383 4.320 0.002 0.000 0.200 96 K C 0.052 177.032 176.600 0.632 0.000 1.022 96 K CA -0.135 56.498 56.287 0.576 0.000 1.125 96 K CB 0.545 33.143 32.500 0.162 0.000 0.855 96 K HN -0.080 nan 8.250 nan 0.000 0.524 97 D N 2.385 123.141 120.400 0.594 0.000 2.619 97 D HA 0.047 4.688 4.640 0.002 0.000 0.224 97 D C 0.846 177.346 176.300 0.333 0.000 1.133 97 D CA -0.083 54.200 54.000 0.472 0.000 1.017 97 D CB -0.051 41.008 40.800 0.431 0.000 1.077 97 D HN 0.179 nan 8.370 nan 0.000 0.503 98 I N 1.459 122.095 120.570 0.110 0.000 2.423 98 I HA -0.291 3.880 4.170 0.002 0.000 0.254 98 I C 1.895 177.977 176.117 -0.058 0.000 1.151 98 I CA 0.987 62.134 61.300 -0.255 0.000 1.421 98 I CB 0.327 38.090 38.000 -0.395 0.000 1.079 98 I HN 0.273 nan 8.210 nan 0.000 0.431 99 A N 0.704 123.537 122.820 0.021 0.000 1.902 99 A HA -0.156 4.165 4.320 0.002 0.000 0.217 99 A C 2.503 180.137 177.584 0.083 0.000 1.181 99 A CA 1.643 53.694 52.037 0.023 0.000 0.623 99 A CB -0.993 18.005 19.000 -0.004 0.000 0.818 99 A HN 0.542 nan 8.150 nan 0.000 0.443 100 A N -1.152 121.771 122.820 0.171 0.000 1.908 100 A HA -0.107 4.214 4.320 0.002 0.000 0.218 100 A C 2.083 179.803 177.584 0.226 0.000 1.181 100 A CA 1.671 53.848 52.037 0.234 0.000 0.627 100 A CB -0.766 18.462 19.000 0.380 0.000 0.818 100 A HN 0.693 nan 8.150 nan 0.000 0.445 101 F N 0.293 120.259 119.950 0.027 0.000 2.102 101 F HA -0.248 4.280 4.527 0.002 0.000 0.298 101 F C 2.492 178.230 175.800 -0.103 0.000 1.105 101 F CA 1.892 59.785 58.000 -0.179 0.000 1.239 101 F CB -0.478 38.077 39.000 -0.743 0.000 0.991 101 F HN 0.303 nan 8.300 nan 0.000 0.474 102 C N 0.923 120.299 119.300 0.126 0.000 2.429 102 C HA -0.141 4.320 4.460 0.002 0.000 0.277 102 C C 2.810 177.774 174.990 -0.043 0.000 1.262 102 C CA 1.038 60.090 59.018 0.057 0.000 1.733 102 C CB -1.261 26.511 27.740 0.054 0.000 2.010 102 C HN 0.443 nan 8.230 nan 0.000 0.483 103 R N 0.406 120.893 120.500 -0.022 0.000 2.073 103 R HA -0.078 4.263 4.340 0.002 0.000 0.234 103 R C 2.157 178.415 176.300 -0.071 0.000 1.134 103 R CA 1.180 57.261 56.100 -0.032 0.000 0.952 103 R CB -0.539 29.764 30.300 0.005 0.000 0.850 103 R HN 0.524 nan 8.270 nan 0.000 0.433 104 L N 0.362 121.530 121.223 -0.093 0.000 2.042 104 L HA -0.224 4.118 4.340 0.002 0.000 0.210 104 L C 2.715 179.463 176.870 -0.203 0.000 1.076 104 L CA 1.389 56.150 54.840 -0.132 0.000 0.749 104 L CB -0.619 41.347 42.059 -0.155 0.000 0.893 104 L HN 0.272 nan 8.230 nan 0.000 0.432 105 A N -0.526 122.120 122.820 -0.290 0.000 1.902 105 A HA -0.300 4.022 4.320 0.002 0.000 0.217 105 A C 2.243 179.720 177.584 -0.177 0.000 1.181 105 A CA 1.949 53.840 52.037 -0.244 0.000 0.623 105 A CB -0.579 18.303 19.000 -0.196 0.000 0.818 105 A HN 0.511 nan 8.150 nan 0.000 0.443 106 Q N -0.209 119.501 119.800 -0.150 0.000 2.084 106 Q HA -0.212 4.129 4.340 0.002 0.000 0.202 106 Q C 1.722 177.640 176.000 -0.137 0.000 0.978 106 Q CA 1.837 57.549 55.803 -0.152 0.000 0.844 106 Q CB -0.218 28.456 28.738 -0.107 0.000 0.898 106 Q HN 0.750 nan 8.270 nan 0.000 0.426 107 E N -0.130 120.007 120.200 -0.105 0.000 2.401 107 E HA -0.116 4.235 4.350 0.002 0.000 0.199 107 E C 0.630 177.179 176.600 -0.085 0.000 1.023 107 E CA 0.514 56.866 56.400 -0.080 0.000 0.859 107 E CB 0.114 29.781 29.700 -0.056 0.000 0.780 107 E HN 0.377 nan 8.360 nan 0.000 0.523 108 N N 0.124 118.759 118.700 -0.109 0.000 2.234 108 N HA 0.098 4.839 4.740 0.002 0.000 0.227 108 N C 0.270 175.707 175.510 -0.121 0.000 1.151 108 N CA 0.587 53.578 53.050 -0.099 0.000 0.865 108 N CB 1.268 39.698 38.487 -0.095 0.000 1.066 108 N HN 0.117 nan 8.380 nan 0.000 0.515 112 V N 3.216 123.150 119.914 0.032 0.000 2.735 112 V HA 0.563 4.684 4.120 0.002 0.000 0.310 112 V C -0.746 175.294 176.094 -0.090 0.000 1.061 112 V CA -0.760 61.533 62.300 -0.012 0.000 0.913 112 V CB 2.199 34.033 31.823 0.019 0.000 1.005 112 V HN 0.522 nan 8.190 nan 0.000 0.428 113 I N 3.865 124.379 120.570 -0.094 0.000 2.406 113 I HA 0.493 4.664 4.170 0.002 0.000 0.290 113 I C -0.724 175.355 176.117 -0.064 0.000 0.999 113 I CA -0.776 60.456 61.300 -0.113 0.000 1.124 113 I CB 2.102 40.009 38.000 -0.155 0.000 1.289 113 I HN 0.277 nan 8.210 nan 0.000 0.441 114 V N 7.018 126.887 119.914 -0.075 0.000 2.472 114 V HA 0.448 4.570 4.120 0.002 0.000 0.290 114 V C 0.043 176.054 176.094 -0.139 0.000 1.037 114 V CA -0.686 61.539 62.300 -0.125 0.000 0.908 114 V CB 1.621 33.307 31.823 -0.228 0.000 0.985 114 V HN 0.661 nan 8.190 nan 0.000 0.454 115 R N 5.343 125.755 120.500 -0.146 0.000 2.402 115 R HA 0.287 4.628 4.340 0.002 0.000 0.290 115 R C -2.227 174.041 176.300 -0.054 0.000 1.321 115 R CA -1.507 54.505 56.100 -0.146 0.000 1.283 115 R CB 1.220 31.351 30.300 -0.282 0.000 1.111 115 R HN 0.499 nan 8.270 nan 0.000 0.578 116 P HA -0.056 nan 4.420 nan 0.000 0.259 116 P C 0.704 178.067 177.300 0.104 0.000 1.307 116 P CA 0.926 63.998 63.100 -0.048 0.000 0.768 116 P CB 0.365 31.932 31.700 -0.221 0.000 1.199 117 G N 1.922 110.773 108.800 0.084 0.000 2.528 117 G HA2 -0.244 3.717 3.960 0.002 0.000 0.262 117 G HA3 -0.244 3.717 3.960 0.002 0.000 0.262 117 G C -1.591 173.377 174.900 0.113 0.000 1.200 117 G CA 0.252 45.421 45.100 0.115 0.000 0.951 117 G HN 0.127 nan 8.290 nan 0.000 0.566 118 P HA -0.021 nan 4.420 nan 0.000 0.220 118 P C 0.494 177.989 177.300 0.325 0.000 1.148 118 P CA 1.684 64.936 63.100 0.254 0.000 0.803 118 P CB 0.067 31.912 31.700 0.241 0.000 0.782 119 Y N 1.374 121.745 120.300 0.119 0.000 2.330 119 Y HA 0.345 4.896 4.550 0.002 0.000 0.336 119 Y C 1.056 176.906 175.900 -0.083 0.000 1.036 119 Y CA -0.727 57.380 58.100 0.012 0.000 1.125 119 Y CB 1.461 39.905 38.460 -0.028 0.000 1.194 119 Y HN -0.251 nan 8.280 nan 0.000 0.469 120 V N 2.332 121.696 119.914 -0.917 0.000 3.548 120 V HA 0.156 4.277 4.120 0.002 0.000 0.279 120 V C 1.379 176.726 176.094 -1.245 0.000 1.446 120 V CA 0.347 61.969 62.300 -1.130 0.000 1.023 120 V CB -0.485 30.496 31.823 -1.402 0.000 0.820 120 V HN 1.162 nan 8.190 nan 0.000 0.438 121 C N 1.063 119.592 119.300 -1.285 0.000 5.884 121 C HA -0.338 4.123 4.460 0.002 0.000 0.328 121 C C 2.290 177.095 174.990 -0.309 0.000 2.433 121 C CA 2.196 60.852 59.018 -0.603 0.000 2.197 121 C CB -1.699 25.886 27.740 -0.259 0.000 3.236 121 C HN 2.621 nan 8.230 nan 0.000 0.261 122 A N 0.072 122.745 122.820 -0.244 0.000 2.715 122 A HA -0.094 4.227 4.320 0.002 0.000 0.301 122 A C 0.496 178.071 177.584 -0.014 0.000 1.515 122 A CA 2.833 54.846 52.037 -0.041 0.000 0.816 122 A CB -1.737 17.119 19.000 -0.239 0.000 1.004 122 A HN 2.175 nan 8.150 nan 0.000 0.483 123 E N -3.412 116.747 120.200 -0.067 0.000 2.494 123 E HA -0.208 4.143 4.350 0.002 0.000 0.249 123 E C -0.179 176.389 176.600 -0.054 0.000 1.184 123 E CA 1.823 58.137 56.400 -0.143 0.000 0.727 123 E CB -1.651 27.802 29.700 -0.413 0.000 1.281 123 E HN 1.038 nan 8.360 nan 0.000 0.405 124 W N 0.826 122.023 121.300 -0.170 0.000 2.639 124 W HA 0.476 5.137 4.660 0.002 0.000 0.347 124 W C 0.997 177.518 176.519 0.004 0.000 1.067 124 W CA -0.877 56.397 57.345 -0.118 0.000 1.218 124 W CB 1.323 30.739 29.460 -0.074 0.000 1.393 124 W HN 0.016 nan 8.180 nan 0.000 0.557 128 G N -0.088 108.892 108.800 0.300 0.000 2.234 128 G HA2 -0.232 3.729 3.960 0.002 0.000 0.235 128 G HA3 -0.232 3.729 3.960 0.002 0.000 0.235 128 G C 0.563 175.547 174.900 0.140 0.000 0.997 128 G CA 0.190 45.441 45.100 0.251 0.000 0.623 128 G HN 0.815 nan 8.290 nan 0.000 0.514 129 L N 3.183 124.427 121.223 0.035 0.000 2.416 129 L HA 0.357 4.698 4.340 0.002 0.000 0.272 129 L C -1.427 175.183 176.870 -0.434 0.000 1.161 129 L CA -1.708 52.965 54.840 -0.279 0.000 0.845 129 L CB 0.438 42.371 42.059 -0.210 0.000 1.119 129 L HN 0.057 nan 8.230 nan 0.000 0.464 130 P HA -0.054 nan 4.420 nan 0.000 0.276 130 P C 0.537 177.238 177.300 -0.998 0.000 1.235 130 P CA -0.408 62.062 63.100 -1.050 0.000 0.772 130 P CB 0.585 31.127 31.700 -1.931 0.000 0.871 131 W N 5.631 126.583 121.300 -0.579 0.000 2.350 131 W HA -0.147 4.514 4.660 0.002 0.000 0.289 131 W C 1.532 177.837 176.519 -0.356 0.000 1.215 131 W CA 0.858 57.935 57.345 -0.446 0.000 1.236 131 W CB -1.791 27.390 29.460 -0.465 0.000 1.130 131 W HN 0.466 nan 8.180 nan 0.000 0.541 132 W N 1.112 121.550 121.300 -1.436 0.000 2.632 132 W HA 0.016 4.677 4.660 0.002 0.000 0.248 132 W C 1.635 177.910 176.519 -0.407 0.000 1.259 132 W CA 0.166 56.787 57.345 -1.207 0.000 1.288 132 W CB -1.596 26.996 29.460 -1.446 0.000 1.136 132 W HN -0.012 nan 8.180 nan 0.000 0.640 133 L N 0.990 121.917 121.223 -0.493 0.000 2.156 133 L HA -0.124 4.217 4.340 0.002 0.000 0.208 133 L C 2.590 179.484 176.870 0.041 0.000 1.095 133 L CA 0.878 55.625 54.840 -0.154 0.000 0.770 133 L CB -0.565 41.249 42.059 -0.410 0.000 0.914 133 L HN -0.074 nan 8.230 nan 0.000 0.439 134 L N -0.491 120.700 121.223 -0.054 0.000 2.549 134 L HA -0.159 4.182 4.340 0.002 0.000 0.229 134 L C 2.120 179.174 176.870 0.307 0.000 1.158 134 L CA 0.688 55.573 54.840 0.076 0.000 0.842 134 L CB -0.460 41.482 42.059 -0.196 0.000 0.952 134 L HN 0.215 nan 8.230 nan 0.000 0.452 135 K N 0.550 121.087 120.400 0.229 0.000 2.283 135 K HA -0.114 4.207 4.320 0.002 0.000 0.202 135 K C 1.049 177.752 176.600 0.172 0.000 1.048 135 K CA 0.682 57.094 56.287 0.210 0.000 0.948 135 K CB 0.072 32.661 32.500 0.149 0.000 0.742 135 K HN 0.068 nan 8.250 nan 0.000 0.458 136 K N 1.681 122.198 120.400 0.196 0.000 2.231 136 K HA 0.057 4.378 4.320 0.002 0.000 0.275 136 K C 0.009 176.745 176.600 0.227 0.000 1.105 136 K CA -0.070 56.310 56.287 0.154 0.000 0.931 136 K CB 0.429 33.029 32.500 0.167 0.000 1.296 136 K HN -0.084 nan 8.250 nan 0.000 0.446 137 K N 1.325 121.831 120.400 0.178 0.000 2.071 137 K HA -0.226 4.095 4.320 0.002 0.000 0.217 137 K C 0.940 177.661 176.600 0.202 0.000 1.054 137 K CA 2.284 58.671 56.287 0.167 0.000 0.937 137 K CB -0.038 32.476 32.500 0.023 0.000 0.719 137 K HN 0.710 nan 8.250 nan 0.000 0.454 138 D N 0.522 121.009 120.400 0.145 0.000 2.336 138 D HA -0.012 4.629 4.640 0.002 0.000 0.228 138 D C 0.400 176.806 176.300 0.177 0.000 1.120 138 D CA -0.333 53.745 54.000 0.131 0.000 0.839 138 D CB -0.433 40.410 40.800 0.072 0.000 0.932 138 D HN 0.041 nan 8.370 nan 0.000 0.509 139 I N 1.060 121.776 120.570 0.244 0.000 2.815 139 I HA -0.025 4.146 4.170 0.002 0.000 0.291 139 I C -0.045 176.226 176.117 0.256 0.000 1.209 139 I CA 0.101 61.551 61.300 0.250 0.000 1.431 139 I CB 0.327 38.485 38.000 0.264 0.000 1.351 139 I HN -0.150 nan 8.210 nan 0.000 0.585 140 K N 7.775 128.279 120.400 0.172 0.000 2.307 140 K HA 0.472 4.793 4.320 0.002 0.000 0.263 140 K C -1.158 175.396 176.600 -0.078 0.000 0.973 140 K CA -0.642 55.736 56.287 0.153 0.000 0.846 140 K CB 1.191 33.745 32.500 0.089 0.000 1.100 140 K HN 0.537 nan 8.250 nan 0.000 0.438 141 L N 2.925 124.060 121.223 -0.148 0.000 2.357 141 L HA 0.397 4.738 4.340 0.002 0.000 0.273 141 L C 0.610 177.049 176.870 -0.718 0.000 1.080 141 L CA -0.600 53.815 54.840 -0.708 0.000 0.803 141 L CB 0.698 42.256 42.059 -0.835 0.000 1.174 141 L HN 0.641 nan 8.230 nan 0.000 0.443 142 R N 0.747 120.539 120.500 -1.180 0.000 3.336 142 R HA -0.195 4.146 4.340 0.002 0.000 0.260 142 R C -0.697 175.014 176.300 -0.981 0.000 1.032 142 R CA 0.809 56.418 56.100 -0.818 0.000 0.693 142 R CB -1.811 27.942 30.300 -0.913 0.000 1.134 142 R HN 0.870 nan 8.270 nan 0.000 0.433 143 E N -2.078 117.577 120.200 -0.908 0.000 2.442 143 E HA 0.137 4.488 4.350 0.002 0.000 0.278 143 E C -0.905 175.642 176.600 -0.088 0.000 1.082 143 E CA -1.121 54.894 56.400 -0.642 0.000 0.861 143 E CB 0.473 30.048 29.700 -0.208 0.000 1.462 143 E HN 0.101 nan 8.360 nan 0.000 0.458 144 Q N 1.057 120.911 119.800 0.090 0.000 2.336 144 Q HA 0.029 4.370 4.340 0.002 0.000 0.231 144 Q C -0.563 175.551 176.000 0.190 0.000 0.900 144 Q CA 0.163 56.095 55.803 0.215 0.000 0.966 144 Q CB -0.246 28.606 28.738 0.190 0.000 1.219 144 Q HN 0.273 nan 8.270 nan 0.000 0.412 145 D N 1.614 122.142 120.400 0.212 0.000 2.371 145 D HA -0.007 4.634 4.640 0.002 0.000 0.256 145 D C -1.322 175.135 176.300 0.260 0.000 1.193 145 D CA -1.746 52.381 54.000 0.212 0.000 0.881 145 D CB 1.307 42.230 40.800 0.205 0.000 1.143 145 D HN 0.102 nan 8.370 nan 0.000 0.473 146 P HA -0.261 nan 4.420 nan 0.000 0.217 146 P C 1.389 178.850 177.300 0.268 0.000 1.158 146 P CA 1.267 64.493 63.100 0.210 0.000 0.887 146 P CB -0.104 31.701 31.700 0.176 0.000 0.792 147 Y N 0.067 120.474 120.300 0.178 0.000 2.200 147 Y HA -0.103 4.448 4.550 0.002 0.000 0.290 147 Y C 1.802 177.855 175.900 0.255 0.000 1.137 147 Y CA 0.070 58.288 58.100 0.195 0.000 1.163 147 Y CB -1.380 37.190 38.460 0.184 0.000 0.988 147 Y HN -0.130 nan 8.280 nan 0.000 0.518 151 R N 0.830 121.342 120.500 0.020 0.000 2.115 151 R HA 0.157 4.498 4.340 0.002 0.000 0.226 151 R C 2.104 178.450 176.300 0.077 0.000 1.100 151 R CA 1.284 57.505 56.100 0.202 0.000 0.980 151 R CB -0.833 29.674 30.300 0.345 0.000 0.875 151 R HN 0.215 nan 8.270 nan 0.000 0.445 152 V N 1.615 121.410 119.914 -0.198 0.000 2.343 152 V HA -0.232 3.890 4.120 0.002 0.000 0.247 152 V C 2.560 178.504 176.094 -0.251 0.000 1.051 152 V CA 1.842 63.859 62.300 -0.472 0.000 1.036 152 V CB -0.436 31.090 31.823 -0.496 0.000 0.654 152 V HN 0.305 nan 8.190 nan 0.000 0.451 153 K N -0.047 120.270 120.400 -0.139 0.000 2.026 153 K HA -0.152 4.169 4.320 0.002 0.000 0.208 153 K C 2.126 178.681 176.600 -0.075 0.000 1.048 153 K CA 1.578 57.809 56.287 -0.094 0.000 0.929 153 K CB -0.212 32.260 32.500 -0.047 0.000 0.713 153 K HN 0.393 nan 8.250 nan 0.000 0.439 154 L N 0.219 121.446 121.223 0.006 0.000 2.083 154 L HA -0.155 4.186 4.340 0.002 0.000 0.209 154 L C 2.480 179.347 176.870 -0.005 0.000 1.083 154 L CA 1.085 55.959 54.840 0.057 0.000 0.752 154 L CB -0.543 41.658 42.059 0.237 0.000 0.899 154 L HN 0.235 nan 8.230 nan 0.000 0.433 155 F N 0.847 120.719 119.950 -0.131 0.000 2.113 155 F HA -0.180 4.348 4.527 0.002 0.000 0.297 155 F C 2.200 177.848 175.800 -0.253 0.000 1.103 155 F CA 1.412 59.277 58.000 -0.225 0.000 1.248 155 F CB -0.330 38.191 39.000 -0.798 0.000 0.999 155 F HN -0.150 nan 8.300 nan 0.000 0.475 156 L N 0.403 121.326 121.223 -0.500 0.000 2.042 156 L HA -0.281 4.060 4.340 0.002 0.000 0.210 156 L C 2.275 178.924 176.870 -0.369 0.000 1.076 156 L CA 1.438 55.984 54.840 -0.490 0.000 0.749 156 L CB -0.942 40.971 42.059 -0.243 0.000 0.893 156 L HN 0.196 nan 8.230 nan 0.000 0.432 157 N N -0.247 118.281 118.700 -0.286 0.000 2.149 157 N HA -0.180 4.561 4.740 0.002 0.000 0.188 157 N C 1.753 177.060 175.510 -0.337 0.000 1.019 157 N CA 1.075 53.971 53.050 -0.258 0.000 0.857 157 N CB -0.178 38.195 38.487 -0.190 0.000 0.997 157 N HN 0.331 nan 8.380 nan 0.000 0.426 158 E N 0.460 120.402 120.200 -0.429 0.000 2.106 158 E HA -0.036 4.316 4.350 0.002 0.000 0.192 158 E C 2.151 178.393 176.600 -0.596 0.000 0.984 158 E CA 0.389 56.495 56.400 -0.490 0.000 0.806 158 E CB -0.306 29.089 29.700 -0.509 0.000 0.750 158 E HN 0.139 nan 8.360 nan 0.000 0.458 159 V N 0.966 120.527 119.914 -0.587 0.000 2.407 159 V HA -0.170 3.951 4.120 0.002 0.000 0.248 159 V C 2.393 178.322 176.094 -0.274 0.000 1.055 159 V CA 1.907 63.908 62.300 -0.498 0.000 1.049 159 V CB -1.040 30.493 31.823 -0.483 0.000 0.662 159 V HN 0.311 nan 8.190 nan 0.000 0.455 160 G N -0.080 108.565 108.800 -0.258 0.000 2.418 160 G HA2 -0.242 3.719 3.960 0.002 0.000 0.217 160 G HA3 -0.242 3.719 3.960 0.002 0.000 0.217 160 G C 1.633 176.271 174.900 -0.438 0.000 1.158 160 G CA 0.755 45.584 45.100 -0.452 0.000 0.771 160 G HN 0.482 nan 8.290 nan 0.000 0.545 161 K N -0.119 120.054 120.400 -0.379 0.000 2.209 161 K HA -0.053 4.268 4.320 0.002 0.000 0.204 161 K C 2.637 179.041 176.600 -0.326 0.000 1.048 161 K CA 1.002 57.093 56.287 -0.326 0.000 0.940 161 K CB -0.003 32.319 32.500 -0.297 0.000 0.729 161 K HN 0.225 nan 8.250 nan 0.000 0.451 162 Q N -0.050 119.504 119.800 -0.410 0.000 2.163 162 Q HA 0.054 4.395 4.340 0.002 0.000 0.198 162 Q C 1.857 177.725 176.000 -0.219 0.000 0.954 162 Q CA 1.034 56.609 55.803 -0.380 0.000 0.851 162 Q CB 0.416 28.773 28.738 -0.634 0.000 0.928 162 Q HN 0.345 nan 8.270 nan 0.000 0.459 163 L N -1.118 120.012 121.223 -0.156 0.000 2.781 163 L HA 0.320 4.661 4.340 0.002 0.000 0.245 163 L C 2.032 178.886 176.870 -0.026 0.000 1.118 163 L CA 0.316 55.148 54.840 -0.012 0.000 0.918 163 L CB -0.143 42.005 42.059 0.149 0.000 1.246 163 L HN -0.057 nan 8.230 nan 0.000 0.526 164 A N 0.618 123.239 122.820 -0.331 0.000 1.908 164 A HA -0.248 4.073 4.320 0.002 0.000 0.218 164 A C 1.574 179.032 177.584 -0.210 0.000 1.181 164 A CA 2.204 53.947 52.037 -0.490 0.000 0.627 164 A CB -0.493 18.092 19.000 -0.691 0.000 0.818 164 A HN 0.313 nan 8.150 nan 0.000 0.445 165 D N -0.838 119.461 120.400 -0.169 0.000 2.378 165 D HA 0.083 4.724 4.640 0.002 0.000 0.227 165 D C 1.049 177.312 176.300 -0.062 0.000 1.012 165 D CA 0.461 54.397 54.000 -0.107 0.000 0.905 165 D CB -0.015 40.723 40.800 -0.102 0.000 0.895 165 D HN 0.438 nan 8.370 nan 0.000 0.532 166 L N 0.043 121.243 121.223 -0.038 0.000 2.728 166 L HA 0.189 4.530 4.340 0.002 0.000 0.238 166 L C 0.507 177.386 176.870 0.015 0.000 1.143 166 L CA -0.139 54.695 54.840 -0.009 0.000 0.937 166 L CB 0.225 42.284 42.059 -0.001 0.000 1.225 166 L HN -0.108 nan 8.230 nan 0.000 0.507 167 Q N 0.240 120.055 119.800 0.024 0.000 2.432 167 Q HA -0.052 4.289 4.340 0.002 0.000 0.264 167 Q C 1.338 177.349 176.000 0.018 0.000 1.035 167 Q CA 0.151 55.978 55.803 0.041 0.000 0.908 167 Q CB 1.556 30.323 28.738 0.048 0.000 1.280 167 Q HN 0.263 nan 8.270 nan 0.000 0.455 168 I N 1.360 121.939 120.570 0.016 0.000 2.361 168 I HA -0.273 3.898 4.170 0.002 0.000 0.251 168 I C 1.781 177.906 176.117 0.014 0.000 1.133 168 I CA 1.462 62.773 61.300 0.019 0.000 1.413 168 I CB 0.034 38.036 38.000 0.003 0.000 1.073 168 I HN 0.715 nan 8.210 nan 0.000 0.424 169 S N -0.324 115.383 115.700 0.012 0.000 2.595 169 S HA -0.063 4.408 4.470 0.002 0.000 0.235 169 S C 1.263 175.859 174.600 -0.007 0.000 0.974 169 S CA 0.408 58.611 58.200 0.004 0.000 0.942 169 S CB -0.299 62.905 63.200 0.007 0.000 0.766 169 S HN 0.499 nan 8.310 nan 0.000 0.536 170 K N 0.132 120.526 120.400 -0.010 0.000 2.706 170 K HA 0.348 4.669 4.320 0.002 0.000 0.203 170 K C 0.779 177.369 176.600 -0.017 0.000 1.102 170 K CA 0.185 56.459 56.287 -0.021 0.000 1.058 170 K CB 0.682 33.160 32.500 -0.036 0.000 0.779 170 K HN 0.370 nan 8.250 nan 0.000 0.483 171 G N 0.719 109.515 108.800 -0.008 0.000 2.179 171 G HA2 -0.259 3.703 3.960 0.002 0.000 0.260 171 G HA3 -0.259 3.703 3.960 0.002 0.000 0.260 171 G C 0.440 175.336 174.900 -0.007 0.000 0.977 171 G CA 0.026 45.122 45.100 -0.007 0.000 0.641 171 G HN 0.505 nan 8.290 nan 0.000 0.533 172 G N -0.055 108.744 108.800 -0.003 0.000 2.531 172 G HA2 0.515 4.476 3.960 0.002 0.000 0.281 172 G HA3 0.515 4.476 3.960 0.002 0.000 0.281 172 G C 0.778 175.686 174.900 0.014 0.000 1.382 172 G CA 0.484 45.582 45.100 -0.004 0.000 1.045 172 G HN 0.769 nan 8.290 nan 0.000 0.533 173 N N -1.330 117.374 118.700 0.007 0.000 2.184 173 N HA 0.083 4.824 4.740 0.002 0.000 0.206 173 N C 0.181 175.732 175.510 0.067 0.000 1.151 173 N CA -0.211 52.865 53.050 0.043 0.000 0.878 173 N CB 0.351 38.790 38.487 -0.080 0.000 1.014 173 N HN 0.353 nan 8.380 nan 0.000 0.512 174 I N 2.984 123.563 120.570 0.015 0.000 2.379 174 I HA 0.178 4.349 4.170 0.002 0.000 0.290 174 I C 0.888 176.945 176.117 -0.100 0.000 1.063 174 I CA -0.615 60.667 61.300 -0.030 0.000 1.351 174 I CB 0.468 38.474 38.000 0.011 0.000 1.410 174 I HN 0.095 nan 8.210 nan 0.000 0.505 178 Q N 1.725 121.274 119.800 -0.418 0.000 2.260 178 Q HA 0.728 5.069 4.340 0.002 0.000 0.242 178 Q C -1.216 174.508 176.000 -0.460 0.000 0.932 178 Q CA -0.496 54.787 55.803 -0.866 0.000 0.891 178 Q CB 1.971 30.219 28.738 -0.816 0.000 1.222 178 Q HN 0.646 nan 8.270 nan 0.000 0.453 179 V N 4.878 124.543 119.914 -0.414 0.000 2.313 179 V HA 0.249 4.370 4.120 0.002 0.000 0.278 179 V C 0.054 176.044 176.094 -0.172 0.000 1.017 179 V CA -0.355 61.805 62.300 -0.233 0.000 0.823 179 V CB 0.663 32.386 31.823 -0.167 0.000 1.010 179 V HN 0.940 nan 8.190 nan 0.000 0.443 180 E N 3.272 123.398 120.200 -0.122 0.000 6.574 180 E HA -0.266 4.085 4.350 0.002 0.000 0.171 180 E C -0.387 176.256 176.600 0.071 0.000 1.464 180 E CA 0.768 57.163 56.400 -0.008 0.000 2.498 180 E CB -0.252 29.424 29.700 -0.039 0.000 1.837 180 E HN 0.916 nan 8.360 nan 0.000 0.466 181 N N 0.773 119.598 118.700 0.208 0.000 2.572 181 N HA 0.184 4.925 4.740 0.002 0.000 0.287 181 N C -1.499 174.198 175.510 0.310 0.000 1.136 181 N CA 0.465 53.675 53.050 0.267 0.000 0.900 181 N CB 0.699 39.365 38.487 0.299 0.000 1.484 181 N HN 0.525 nan 8.380 nan 0.000 0.526 182 E N 1.617 121.962 120.200 0.242 0.000 2.269 182 E HA -0.319 4.032 4.350 0.002 0.000 0.223 182 E C -0.376 176.263 176.600 0.066 0.000 1.244 182 E CA 0.323 56.804 56.400 0.136 0.000 0.713 182 E CB -0.935 28.870 29.700 0.176 0.000 1.178 182 E HN 0.608 nan 8.360 nan 0.000 0.370 183 Y N 0.020 120.330 120.300 0.016 0.000 2.403 183 Y HA -0.125 4.426 4.550 0.002 0.000 0.291 183 Y C 2.312 178.207 175.900 -0.007 0.000 1.143 183 Y CA 1.918 60.032 58.100 0.024 0.000 1.257 183 Y CB -0.249 38.264 38.460 0.088 0.000 0.984 183 Y HN 0.294 nan 8.280 nan 0.000 0.550 184 G N -0.653 108.122 108.800 -0.042 0.000 2.462 184 G HA2 -0.215 3.746 3.960 0.002 0.000 0.220 184 G HA3 -0.215 3.746 3.960 0.002 0.000 0.220 184 G C 1.554 176.289 174.900 -0.276 0.000 1.121 184 G CA 0.673 45.693 45.100 -0.134 0.000 0.758 184 G HN 0.504 nan 8.290 nan 0.000 0.559 185 A N -1.181 121.388 122.820 -0.418 0.000 2.307 185 A HA 0.562 4.883 4.320 0.002 0.000 0.218 185 A C 1.416 178.824 177.584 -0.292 0.000 1.228 185 A CA 0.189 51.966 52.037 -0.433 0.000 0.857 185 A CB -0.122 18.465 19.000 -0.688 0.000 0.897 185 A HN 0.353 nan 8.150 nan 0.000 0.495 186 F N -1.390 118.234 119.950 -0.544 0.000 2.531 186 F HA 0.486 5.014 4.527 0.002 0.000 0.273 186 F C 0.975 176.432 175.800 -0.572 0.000 0.960 186 F CA 0.854 58.475 58.000 -0.631 0.000 1.207 186 F CB 0.532 39.016 39.000 -0.859 0.000 1.012 186 F HN 0.296 nan 8.300 nan 0.000 0.738 187 G N 0.389 108.850 108.800 -0.565 0.000 2.435 187 G HA2 0.394 4.355 3.960 0.002 0.000 0.296 187 G HA3 0.394 4.355 3.960 0.002 0.000 0.296 187 G C -1.891 172.920 174.900 -0.148 0.000 1.240 187 G CA -0.606 44.265 45.100 -0.382 0.000 0.872 187 G HN -0.007 nan 8.290 nan 0.000 0.480 188 I N 1.216 121.813 120.570 0.047 0.000 2.503 188 I HA 0.429 4.600 4.170 0.002 0.000 0.282 188 I C -1.687 174.579 176.117 0.249 0.000 1.059 188 I CA -0.350 61.047 61.300 0.162 0.000 1.081 188 I CB 2.167 40.202 38.000 0.057 0.000 1.210 188 I HN 0.371 nan 8.210 nan 0.000 0.450 189 D N 5.873 126.499 120.400 0.377 0.000 2.584 189 D HA 0.157 4.798 4.640 0.002 0.000 0.238 189 D C 0.591 176.988 176.300 0.162 0.000 1.302 189 D CA -0.315 53.844 54.000 0.265 0.000 0.884 189 D CB 0.955 41.955 40.800 0.333 0.000 1.456 189 D HN 0.345 nan 8.370 nan 0.000 0.528 190 K N 0.936 121.401 120.400 0.108 0.000 2.147 190 K HA -0.059 4.262 4.320 0.002 0.000 0.205 190 K C -1.043 175.581 176.600 0.040 0.000 1.049 190 K CA 1.139 57.460 56.287 0.056 0.000 0.936 190 K CB -0.223 32.308 32.500 0.052 0.000 0.722 190 K HN 0.312 nan 8.250 nan 0.000 0.446 191 P HA -0.187 nan 4.420 nan 0.000 0.217 191 P C 1.050 178.392 177.300 0.070 0.000 1.150 191 P CA 1.003 64.143 63.100 0.066 0.000 0.832 191 P CB -0.006 31.745 31.700 0.084 0.000 0.787 192 Y N 0.562 120.836 120.300 -0.042 0.000 2.114 192 Y HA -0.185 4.366 4.550 0.002 0.000 0.284 192 Y C 1.989 177.809 175.900 -0.133 0.000 1.143 192 Y CA 1.406 59.459 58.100 -0.079 0.000 1.135 192 Y CB -1.077 37.305 38.460 -0.130 0.000 0.980 192 Y HN -0.223 nan 8.280 nan 0.000 0.499 193 I N 0.091 120.421 120.570 -0.401 0.000 2.264 193 I HA -0.302 3.869 4.170 0.002 0.000 0.248 193 I C 2.428 178.379 176.117 -0.275 0.000 1.111 193 I CA 1.724 62.748 61.300 -0.461 0.000 1.382 193 I CB -1.706 36.146 38.000 -0.246 0.000 1.060 193 I HN 0.250 nan 8.210 nan 0.000 0.418 194 S N 0.046 115.659 115.700 -0.144 0.000 2.368 194 S HA -0.208 4.263 4.470 0.002 0.000 0.225 194 S C 1.954 176.498 174.600 -0.093 0.000 1.030 194 S CA 1.229 59.383 58.200 -0.076 0.000 0.999 194 S CB -0.204 62.983 63.200 -0.020 0.000 0.844 194 S HN 0.495 nan 8.310 nan 0.000 0.459 195 E N 0.524 120.657 120.200 -0.110 0.000 2.107 195 E HA -0.087 4.264 4.350 0.002 0.000 0.191 195 E C 1.836 178.348 176.600 -0.146 0.000 0.982 195 E CA 0.698 57.046 56.400 -0.088 0.000 0.809 195 E CB 0.011 29.693 29.700 -0.031 0.000 0.756 195 E HN 0.285 nan 8.360 nan 0.000 0.459 196 I N 1.432 121.834 120.570 -0.279 0.000 2.208 196 I HA -0.283 3.889 4.170 0.002 0.000 0.245 196 I C 2.596 178.601 176.117 -0.187 0.000 1.097 196 I CA 1.262 62.386 61.300 -0.293 0.000 1.363 196 I CB -1.208 36.503 38.000 -0.482 0.000 1.051 196 I HN 0.216 nan 8.210 nan 0.000 0.413 197 R N 1.077 121.479 120.500 -0.164 0.000 2.081 197 R HA -0.139 4.202 4.340 0.002 0.000 0.235 197 R C 0.465 176.728 176.300 -0.062 0.000 1.131 197 R CA 1.124 57.166 56.100 -0.098 0.000 0.960 197 R CB -0.290 29.971 30.300 -0.066 0.000 0.856 197 R HN 0.318 nan 8.270 nan 0.000 0.436 201 K N 0.560 120.983 120.400 0.039 0.000 2.026 201 K HA -0.150 4.171 4.320 0.002 0.000 0.208 201 K C 1.924 178.514 176.600 -0.017 0.000 1.048 201 K CA 1.971 58.275 56.287 0.028 0.000 0.929 201 K CB -0.094 32.410 32.500 0.008 0.000 0.713 201 K HN 0.507 nan 8.250 nan 0.000 0.439 202 Q N -0.098 119.682 119.800 -0.032 0.000 2.364 202 Q HA -0.041 4.300 4.340 0.002 0.000 0.207 202 Q C 1.867 177.812 176.000 -0.092 0.000 0.970 202 Q CA 0.884 56.653 55.803 -0.058 0.000 0.888 202 Q CB 0.066 28.775 28.738 -0.049 0.000 0.951 202 Q HN 0.320 nan 8.270 nan 0.000 0.469 203 A N -0.287 122.481 122.820 -0.087 0.000 2.014 203 A HA 0.137 4.458 4.320 0.002 0.000 0.218 203 A C 1.635 179.034 177.584 -0.309 0.000 1.163 203 A CA 1.359 53.305 52.037 -0.151 0.000 0.652 203 A CB -0.051 18.920 19.000 -0.048 0.000 0.808 203 A HN 0.462 nan 8.150 nan 0.000 0.449 204 G N -2.828 105.786 108.800 -0.310 0.000 2.425 204 G HA2 -0.082 3.879 3.960 0.002 0.000 0.177 204 G HA3 -0.082 3.879 3.960 0.002 0.000 0.177 204 G C -0.043 174.569 174.900 -0.479 0.000 0.999 204 G CA -0.208 44.635 45.100 -0.428 0.000 0.723 204 G HN 0.266 nan 8.290 nan 0.000 0.491 205 F N 3.324 123.219 119.950 -0.092 0.000 2.626 205 F HA 0.432 4.961 4.527 0.002 0.000 0.353 205 F C 1.710 177.480 175.800 -0.050 0.000 1.230 205 F CA 0.733 58.690 58.000 -0.073 0.000 1.298 205 F CB 0.668 39.620 39.000 -0.080 0.000 1.670 205 F HN 0.114 nan 8.300 nan 0.000 0.633 206 T N -3.996 110.585 114.554 0.045 0.000 3.044 206 T HA 0.189 4.540 4.350 0.002 0.000 0.260 206 T C 1.817 176.537 174.700 0.033 0.000 1.019 206 T CA 0.437 62.557 62.100 0.033 0.000 0.921 206 T CB 0.474 69.337 68.868 -0.009 0.000 1.053 206 T HN 0.439 nan 8.240 nan 0.000 0.533 207 G N 1.570 110.393 108.800 0.039 0.000 2.939 207 G HA2 0.434 4.395 3.960 0.002 0.000 0.210 207 G HA3 0.434 4.395 3.960 0.002 0.000 0.210 207 G C 0.391 175.325 174.900 0.055 0.000 1.160 207 G CA 0.502 45.621 45.100 0.033 0.000 0.770 207 G HN 0.731 nan 8.290 nan 0.000 0.543 208 V N -3.334 116.629 119.914 0.082 0.000 3.040 208 V HA 0.738 4.859 4.120 0.002 0.000 0.312 208 V C -2.705 173.455 176.094 0.110 0.000 1.115 208 V CA -2.861 59.497 62.300 0.095 0.000 0.998 208 V CB 2.025 33.896 31.823 0.079 0.000 1.042 208 V HN -0.076 nan 8.190 nan 0.000 0.433 209 P HA 0.321 nan 4.420 nan 0.000 0.268 209 P C -0.876 176.535 177.300 0.185 0.000 1.205 209 P CA 0.028 63.219 63.100 0.152 0.000 0.771 209 P CB 0.709 32.519 31.700 0.183 0.000 0.858 210 L N 3.575 124.901 121.223 0.171 0.000 2.322 210 L HA 0.607 4.948 4.340 0.002 0.000 0.279 210 L C 0.367 177.399 176.870 0.269 0.000 1.036 210 L CA -0.902 54.035 54.840 0.162 0.000 0.807 210 L CB 0.734 42.831 42.059 0.063 0.000 1.226 210 L HN 0.434 nan 8.230 nan 0.000 0.433 211 F N -0.166 119.821 119.950 0.061 0.000 2.629 211 F HA 0.692 5.220 4.527 0.002 0.000 0.316 211 F C -0.936 174.947 175.800 0.139 0.000 1.081 211 F CA -0.928 57.144 58.000 0.120 0.000 0.954 211 F CB 1.587 40.661 39.000 0.123 0.000 1.337 211 F HN 0.367 nan 8.300 nan 0.000 0.474 212 Q N 1.241 121.203 119.800 0.270 0.000 2.351 212 Q HA 0.677 5.018 4.340 0.002 0.000 0.273 212 Q C -1.377 174.821 176.000 0.331 0.000 1.077 212 Q CA -1.135 54.767 55.803 0.166 0.000 0.843 212 Q CB 2.634 31.526 28.738 0.257 0.000 1.367 212 Q HN 0.981 nan 8.270 nan 0.000 0.449 213 C N -0.790 118.653 119.300 0.239 0.000 2.609 213 C HA 0.863 5.324 4.460 0.002 0.000 0.313 213 C C -1.061 174.086 174.990 0.262 0.000 1.175 213 C CA -0.460 58.743 59.018 0.307 0.000 1.434 213 C CB 1.458 29.402 27.740 0.340 0.000 2.005 213 C HN 0.853 nan 8.230 nan 0.000 0.471 214 D N 0.246 120.820 120.400 0.290 0.000 2.946 214 D HA 0.472 5.113 4.640 0.002 0.000 0.337 214 D C -1.351 175.236 176.300 0.479 0.000 1.332 214 D CA -0.052 54.103 54.000 0.259 0.000 0.935 214 D CB 1.194 42.124 40.800 0.216 0.000 1.440 214 D HN 0.677 nan 8.370 nan 0.000 0.540 215 W N 1.642 123.123 121.300 0.301 0.000 2.448 215 W HA 0.165 4.826 4.660 0.002 0.000 0.339 215 W C 1.475 178.200 176.519 0.342 0.000 1.124 215 W CA -0.631 56.884 57.345 0.283 0.000 1.262 215 W CB -0.298 29.334 29.460 0.288 0.000 1.251 215 W HN 0.419 nan 8.180 nan 0.000 0.597 216 N N -0.263 118.728 118.700 0.484 0.000 2.258 216 N HA -0.246 4.495 4.740 0.002 0.000 0.187 216 N C 1.118 176.919 175.510 0.485 0.000 1.012 216 N CA 1.967 55.284 53.050 0.444 0.000 0.870 216 N CB -0.936 37.662 38.487 0.185 0.000 0.977 216 N HN 0.228 nan 8.380 nan 0.000 0.434 217 S N -1.604 114.334 115.700 0.397 0.000 2.593 217 S HA 0.095 4.566 4.470 0.002 0.000 0.217 217 S C 0.613 175.332 174.600 0.199 0.000 0.966 217 S CA 0.174 58.535 58.200 0.268 0.000 0.914 217 S CB -0.511 62.845 63.200 0.261 0.000 0.776 217 S HN 0.685 nan 8.310 nan 0.000 0.523 218 N N 0.098 118.931 118.700 0.223 0.000 1.938 218 N HA 0.083 4.824 4.740 0.002 0.000 0.225 218 N C 0.788 176.296 175.510 -0.003 0.000 1.400 218 N CA -0.127 52.961 53.050 0.063 0.000 0.772 218 N CB -1.121 37.408 38.487 0.069 0.000 1.124 218 N HN 0.388 nan 8.380 nan 0.000 0.513 219 F N 1.071 121.044 119.950 0.037 0.000 2.307 219 F HA 0.198 4.726 4.527 0.002 0.000 0.301 219 F C 1.403 177.090 175.800 -0.188 0.000 1.076 219 F CA 0.861 58.837 58.000 -0.040 0.000 1.383 219 F CB -0.270 38.744 39.000 0.023 0.000 1.055 219 F HN -0.002 nan 8.300 nan 0.000 0.526 220 E N 0.743 120.403 120.200 -0.899 0.000 2.274 220 E HA -0.129 4.222 4.350 0.002 0.000 0.194 220 E C 1.556 177.944 176.600 -0.352 0.000 0.996 220 E CA 0.880 56.851 56.400 -0.715 0.000 0.840 220 E CB -0.426 28.855 29.700 -0.698 0.000 0.772 220 E HN 0.682 nan 8.360 nan 0.000 0.491 221 N N 0.761 119.323 118.700 -0.230 0.000 2.223 221 N HA -0.121 4.620 4.740 0.002 0.000 0.185 221 N C 0.802 176.284 175.510 -0.048 0.000 1.016 221 N CA 1.088 54.074 53.050 -0.106 0.000 0.863 221 N CB 0.003 38.456 38.487 -0.058 0.000 0.983 221 N HN 0.113 nan 8.380 nan 0.000 0.429 222 N N -0.525 118.147 118.700 -0.046 0.000 2.160 222 N HA 0.213 4.954 4.740 0.002 0.000 0.226 222 N C -0.873 174.604 175.510 -0.054 0.000 1.256 222 N CA -0.248 52.809 53.050 0.013 0.000 0.890 222 N CB 1.021 39.590 38.487 0.136 0.000 1.116 222 N HN 0.062 nan 8.380 nan 0.000 0.517 223 A N 1.373 124.060 122.820 -0.222 0.000 2.545 223 A HA 0.169 4.490 4.320 0.002 0.000 0.253 223 A C -0.006 177.563 177.584 -0.026 0.000 1.074 223 A CA 0.282 52.054 52.037 -0.441 0.000 0.760 223 A CB -0.235 17.978 19.000 -1.311 0.000 1.005 223 A HN 0.268 nan 8.150 nan 0.000 0.506 224 L N 2.746 124.151 121.223 0.302 0.000 2.307 224 L HA 0.249 4.590 4.340 0.002 0.000 0.282 224 L C 0.424 177.664 176.870 0.616 0.000 1.051 224 L CA -0.896 54.160 54.840 0.360 0.000 0.804 224 L CB 1.159 43.354 42.059 0.227 0.000 1.197 224 L HN 0.684 nan 8.230 nan 0.000 0.431 225 D N 0.970 121.622 120.400 0.419 0.000 2.144 225 D HA -0.175 4.466 4.640 0.002 0.000 0.199 225 D C 1.252 177.619 176.300 0.111 0.000 0.984 225 D CA 1.368 55.548 54.000 0.301 0.000 0.834 225 D CB 0.061 40.979 40.800 0.196 0.000 0.955 225 D HN 0.637 nan 8.370 nan 0.000 0.465 226 D N -0.037 120.434 120.400 0.119 0.000 2.336 226 D HA -0.050 4.592 4.640 0.002 0.000 0.229 226 D C 0.516 176.850 176.300 0.057 0.000 1.061 226 D CA 0.079 54.113 54.000 0.058 0.000 0.875 226 D CB 0.112 40.946 40.800 0.057 0.000 0.904 226 D HN 0.211 nan 8.370 nan 0.000 0.525 227 L N 0.181 121.461 121.223 0.095 0.000 2.333 227 L HA 0.372 4.713 4.340 0.002 0.000 0.263 227 L C -0.429 176.432 176.870 -0.014 0.000 1.014 227 L CA -1.547 53.364 54.840 0.119 0.000 0.820 227 L CB 2.295 44.500 42.059 0.242 0.000 1.352 227 L HN -0.107 nan 8.230 nan 0.000 0.421 228 L N 1.388 122.668 121.223 0.094 0.000 2.397 228 L HA 0.291 4.632 4.340 0.002 0.000 0.271 228 L C -1.219 175.845 176.870 0.323 0.000 1.148 228 L CA 0.332 55.214 54.840 0.071 0.000 0.825 228 L CB 0.367 42.559 42.059 0.223 0.000 1.117 228 L HN 0.324 nan 8.230 nan 0.000 0.456 229 W N 4.048 125.472 121.300 0.206 0.000 2.573 229 W HA 0.656 5.317 4.660 0.002 0.000 0.326 229 W C -0.083 176.544 176.519 0.181 0.000 1.049 229 W CA -0.789 56.679 57.345 0.205 0.000 1.220 229 W CB 1.036 30.607 29.460 0.186 0.000 1.373 229 W HN 0.679 nan 8.180 nan 0.000 0.507 230 T N 0.146 114.960 114.554 0.434 0.000 2.901 230 T HA 0.791 5.142 4.350 0.002 0.000 0.293 230 T C -0.908 173.939 174.700 0.246 0.000 1.084 230 T CA -0.774 61.529 62.100 0.337 0.000 1.008 230 T CB 2.041 71.116 68.868 0.345 0.000 1.170 230 T HN 0.108 nan 8.240 nan 0.000 0.509 231 I N 2.020 122.713 120.570 0.206 0.000 2.646 231 I HA 0.514 4.685 4.170 0.002 0.000 0.299 231 I C -0.647 175.462 176.117 -0.013 0.000 1.036 231 I CA -1.058 60.308 61.300 0.110 0.000 1.074 231 I CB 1.976 39.942 38.000 -0.057 0.000 1.258 231 I HN 0.700 nan 8.210 nan 0.000 0.430 232 N N 5.533 124.229 118.700 -0.006 0.000 2.314 232 N HA 0.779 5.520 4.740 0.002 0.000 0.304 232 N C -0.942 174.207 175.510 -0.601 0.000 1.073 232 N CA -0.206 52.554 53.050 -0.483 0.000 0.822 232 N CB 2.601 40.893 38.487 -0.325 0.000 1.280 232 N HN 0.508 nan 8.380 nan 0.000 0.489 233 F N -2.253 117.185 119.950 -0.855 0.000 2.842 233 F HA 0.709 5.237 4.527 0.002 0.000 0.319 233 F C -0.275 175.324 175.800 -0.335 0.000 1.159 233 F CA -1.332 56.366 58.000 -0.503 0.000 0.902 233 F CB 0.671 39.553 39.000 -0.197 0.000 1.311 233 F HN 0.384 nan 8.300 nan 0.000 0.453 234 G N -0.368 108.587 108.800 0.259 0.000 2.644 234 G HA2 0.578 4.539 3.960 0.002 0.000 0.307 234 G HA3 0.578 4.539 3.960 0.002 0.000 0.307 234 G C -0.801 174.113 174.900 0.023 0.000 1.250 234 G CA -0.555 44.580 45.100 0.057 0.000 0.996 234 G HN 1.070 nan 8.290 nan 0.000 0.489 235 T N -1.909 112.485 114.554 -0.267 0.000 2.903 235 T HA 0.319 4.670 4.350 0.002 0.000 0.299 235 T C 1.524 176.281 174.700 0.095 0.000 1.041 235 T CA 1.024 63.113 62.100 -0.017 0.000 1.138 235 T CB 0.673 69.518 68.868 -0.038 0.000 1.040 235 T HN 2.345 nan 8.240 nan 0.000 0.524 236 G N 1.039 109.926 108.800 0.145 0.000 2.175 236 G HA2 0.050 4.011 3.960 0.002 0.000 0.244 236 G HA3 0.050 4.011 3.960 0.002 0.000 0.244 236 G C 0.313 175.246 174.900 0.055 0.000 0.982 236 G CA -0.045 45.103 45.100 0.079 0.000 0.641 236 G HN 1.541 nan 8.290 nan 0.000 0.527 237 A N -0.184 122.686 122.820 0.084 0.000 2.296 237 A HA 0.618 4.939 4.320 0.002 0.000 0.264 237 A C 0.536 178.049 177.584 -0.118 0.000 1.097 237 A CA 0.258 52.265 52.037 -0.051 0.000 0.811 237 A CB 0.362 19.274 19.000 -0.147 0.000 1.072 237 A HN 0.581 nan 8.150 nan 0.000 0.495 238 N N 1.376 119.958 118.700 -0.197 0.000 2.546 238 N HA 0.142 4.883 4.740 0.002 0.000 0.238 238 N C 0.923 176.288 175.510 -0.242 0.000 0.984 238 N CA -0.579 52.377 53.050 -0.155 0.000 0.935 238 N CB 0.395 38.825 38.487 -0.095 0.000 1.122 238 N HN 0.457 nan 8.380 nan 0.000 0.510 239 I N 2.944 123.398 120.570 -0.193 0.000 2.113 239 I HA -0.338 3.833 4.170 0.002 0.000 0.242 239 I C 1.324 177.445 176.117 0.007 0.000 1.057 239 I CA 1.653 62.886 61.300 -0.113 0.000 1.314 239 I CB -0.994 37.030 38.000 0.040 0.000 1.022 239 I HN 0.496 nan 8.210 nan 0.000 0.408 240 D N 0.265 120.676 120.400 0.018 0.000 2.117 240 D HA -0.205 4.436 4.640 0.002 0.000 0.197 240 D C 2.225 178.541 176.300 0.026 0.000 0.987 240 D CA 1.268 55.300 54.000 0.053 0.000 0.829 240 D CB -0.232 40.586 40.800 0.030 0.000 0.961 240 D HN 0.478 nan 8.370 nan 0.000 0.460 241 E N -0.047 120.130 120.200 -0.038 0.000 2.204 241 E HA -0.182 4.169 4.350 0.002 0.000 0.194 241 E C 1.693 178.241 176.600 -0.087 0.000 0.989 241 E CA 0.652 57.026 56.400 -0.044 0.000 0.824 241 E CB 0.217 29.881 29.700 -0.059 0.000 0.756 241 E HN 0.187 nan 8.360 nan 0.000 0.477 242 Q N -0.748 118.915 119.800 -0.228 0.000 2.096 242 Q HA -0.079 4.262 4.340 0.002 0.000 0.197 242 Q C 1.478 177.253 176.000 -0.375 0.000 0.964 242 Q CA 1.033 56.586 55.803 -0.417 0.000 0.838 242 Q CB 0.023 28.181 28.738 -0.966 0.000 0.906 242 Q HN 0.361 nan 8.270 nan 0.000 0.444 243 F N 0.266 120.208 119.950 -0.013 0.000 2.721 243 F HA 0.187 4.715 4.527 0.002 0.000 0.301 243 F C 2.082 177.908 175.800 0.043 0.000 1.096 243 F CA -0.188 57.822 58.000 0.017 0.000 1.308 243 F CB 0.125 39.136 39.000 0.018 0.000 1.086 243 F HN -0.048 nan 8.300 nan 0.000 0.587 244 K N 0.955 121.469 120.400 0.189 0.000 2.052 244 K HA -0.306 4.015 4.320 0.002 0.000 0.215 244 K C 2.397 179.105 176.600 0.180 0.000 1.053 244 K CA 1.997 58.375 56.287 0.153 0.000 0.934 244 K CB -0.017 32.545 32.500 0.104 0.000 0.717 244 K HN 0.006 nan 8.250 nan 0.000 0.450 245 R N 0.742 121.377 120.500 0.226 0.000 2.066 245 R HA -0.092 4.249 4.340 0.002 0.000 0.232 245 R C 2.201 178.728 176.300 0.378 0.000 1.131 245 R CA 1.433 57.715 56.100 0.304 0.000 0.955 245 R CB -0.879 29.665 30.300 0.408 0.000 0.851 245 R HN 0.335 nan 8.270 nan 0.000 0.432 246 L N 1.096 122.529 121.223 0.351 0.000 2.042 246 L HA -0.156 4.185 4.340 0.002 0.000 0.210 246 L C 1.705 178.725 176.870 0.251 0.000 1.076 246 L CA 1.978 56.994 54.840 0.294 0.000 0.749 246 L CB -0.419 41.706 42.059 0.110 0.000 0.893 246 L HN 0.165 nan 8.230 nan 0.000 0.432 247 K N -0.558 119.958 120.400 0.192 0.000 2.097 247 K HA -0.187 4.134 4.320 0.002 0.000 0.206 247 K C 1.939 178.612 176.600 0.122 0.000 1.049 247 K CA 1.742 58.101 56.287 0.119 0.000 0.933 247 K CB -0.173 32.381 32.500 0.089 0.000 0.717 247 K HN 0.528 nan 8.250 nan 0.000 0.442 248 E N 0.671 120.964 120.200 0.155 0.000 2.017 248 E HA -0.169 4.182 4.350 0.002 0.000 0.193 248 E C 2.003 178.696 176.600 0.156 0.000 0.997 248 E CA 0.925 57.408 56.400 0.139 0.000 0.804 248 E CB -0.017 29.771 29.700 0.146 0.000 0.757 248 E HN 0.096 nan 8.360 nan 0.000 0.448 249 L N 0.237 121.600 121.223 0.232 0.000 2.042 249 L HA -0.115 4.226 4.340 0.002 0.000 0.210 249 L C 0.891 177.883 176.870 0.202 0.000 1.076 249 L CA 1.635 56.639 54.840 0.272 0.000 0.749 249 L CB -0.741 41.601 42.059 0.471 0.000 0.893 249 L HN 0.060 nan 8.230 nan 0.000 0.432 250 R N -0.901 119.698 120.500 0.166 0.000 2.487 250 R HA 0.219 4.560 4.340 0.002 0.000 0.288 250 R C -1.827 174.486 176.300 0.023 0.000 1.394 250 R CA -1.288 54.841 56.100 0.047 0.000 1.155 250 R CB 1.346 31.625 30.300 -0.035 0.000 1.156 250 R HN -0.071 nan 8.270 nan 0.000 0.553 251 P HA -0.083 nan 4.420 nan 0.000 0.221 251 P C 0.098 177.371 177.300 -0.044 0.000 1.150 251 P CA 0.935 64.032 63.100 -0.005 0.000 0.800 251 P CB 0.393 32.093 31.700 0.001 0.000 0.787 252 D N -2.207 118.156 120.400 -0.063 0.000 2.349 252 D HA 0.025 4.667 4.640 0.002 0.000 0.214 252 D C 0.545 176.763 176.300 -0.136 0.000 1.063 252 D CA 0.513 54.456 54.000 -0.094 0.000 0.847 252 D CB -0.100 40.650 40.800 -0.084 0.000 0.933 252 D HN 0.080 nan 8.370 nan 0.000 0.513 253 T N 2.725 117.196 114.554 -0.138 0.000 2.869 253 T HA 0.230 4.581 4.350 0.002 0.000 0.295 253 T C -2.471 172.081 174.700 -0.247 0.000 0.987 253 T CA -1.694 60.294 62.100 -0.187 0.000 1.109 253 T CB 1.382 70.155 68.868 -0.159 0.000 0.932 253 T HN -0.110 nan 8.240 nan 0.000 0.518 254 P HA 0.229 nan 4.420 nan 0.000 0.272 254 P C -0.452 176.595 177.300 -0.422 0.000 1.223 254 P CA -0.323 62.445 63.100 -0.553 0.000 0.784 254 P CB 0.826 31.842 31.700 -1.141 0.000 0.923 258 S N 2.689 118.418 115.700 0.048 0.000 2.380 258 S HA -0.102 4.369 4.470 0.002 0.000 0.229 258 S C 0.540 175.163 174.600 0.037 0.000 1.043 258 S CA 1.992 60.234 58.200 0.070 0.000 1.038 258 S CB -0.029 63.297 63.200 0.211 0.000 0.872 258 S HN 0.859 nan 8.310 nan 0.000 0.456 259 E N -0.363 119.775 120.200 -0.104 0.000 2.302 259 E HA 0.266 4.617 4.350 0.002 0.000 0.263 259 E C -1.894 174.404 176.600 -0.504 0.000 0.897 259 E CA -0.391 55.930 56.400 -0.133 0.000 0.809 259 E CB 1.337 31.032 29.700 -0.009 0.000 1.270 259 E HN 0.321 nan 8.360 nan 0.000 0.410 260 F N 4.631 124.375 119.950 -0.344 0.000 2.334 260 F HA 0.303 4.831 4.527 0.002 0.000 0.365 260 F C -0.706 175.079 175.800 -0.024 0.000 1.124 260 F CA -1.075 56.703 58.000 -0.371 0.000 1.166 260 F CB 0.360 39.243 39.000 -0.195 0.000 1.355 260 F HN 0.431 nan 8.300 nan 0.000 0.532 261 W N 5.143 126.315 121.300 -0.214 0.000 2.446 261 W HA 0.337 4.998 4.660 0.002 0.000 0.316 261 W C 0.166 176.543 176.519 -0.237 0.000 1.376 261 W CA -0.648 56.654 57.345 -0.072 0.000 1.300 261 W CB 0.580 29.997 29.460 -0.071 0.000 1.351 261 W HN 0.427 nan 8.180 nan 0.000 0.530 262 S N 2.022 117.846 115.700 0.207 0.000 2.575 262 S HA 0.794 5.265 4.470 0.002 0.000 0.278 262 S C 0.011 174.800 174.600 0.315 0.000 1.139 262 S CA 0.484 58.739 58.200 0.092 0.000 0.954 262 S CB 1.234 64.404 63.200 -0.050 0.000 1.054 262 S HN 1.012 nan 8.310 nan 0.000 0.483 263 G N 3.569 112.478 108.800 0.182 0.000 2.318 263 G HA2 0.117 4.078 3.960 0.002 0.000 0.367 263 G HA3 0.117 4.078 3.960 0.002 0.000 0.367 263 G C -1.718 173.148 174.900 -0.057 0.000 1.260 263 G CA -0.264 44.910 45.100 0.124 0.000 1.055 263 G HN 1.147 nan 8.290 nan 0.000 0.484 264 W N 0.801 121.793 121.300 -0.513 0.000 3.615 264 W HA 0.557 5.218 4.660 0.002 0.000 0.319 264 W C -1.686 174.481 176.519 -0.587 0.000 1.172 264 W CA -1.461 55.531 57.345 -0.588 0.000 1.240 264 W CB 1.247 30.461 29.460 -0.409 0.000 1.313 264 W HN 0.908 nan 8.180 nan 0.000 0.487 265 F N 3.066 122.294 119.950 -1.202 0.000 2.443 265 F HA 0.565 5.093 4.527 0.002 0.000 0.335 265 F C 0.197 175.492 175.800 -0.842 0.000 1.104 265 F CA -0.811 56.715 58.000 -0.789 0.000 1.013 265 F CB 0.631 39.328 39.000 -0.505 0.000 1.136 265 F HN 0.004 nan 8.300 nan 0.000 0.470 266 D N 1.013 121.240 120.400 -0.287 0.000 2.354 266 D HA 0.260 4.901 4.640 0.002 0.000 0.247 266 D C -0.724 175.384 176.300 -0.320 0.000 1.138 266 D CA 0.040 53.936 54.000 -0.173 0.000 0.958 266 D CB 0.862 41.670 40.800 0.014 0.000 1.144 266 D HN 0.672 nan 8.370 nan 0.000 0.458 267 H N -1.274 117.703 119.070 -0.156 0.000 2.690 267 H HA 0.276 4.833 4.556 0.002 0.000 0.368 267 H C -0.704 174.593 175.328 -0.051 0.000 1.150 267 H CA -0.714 55.273 56.048 -0.102 0.000 1.174 267 H CB 0.735 30.478 29.762 -0.031 0.000 1.684 267 H HN 0.290 nan 8.280 nan 0.000 0.538 268 W N 1.475 122.909 121.300 0.224 0.000 2.264 268 W HA 0.316 4.977 4.660 0.002 0.000 0.331 268 W C 1.229 177.782 176.519 0.057 0.000 1.364 268 W CA 1.234 58.633 57.345 0.089 0.000 1.253 268 W CB 0.360 29.892 29.460 0.119 0.000 1.215 268 W HN 0.997 nan 8.180 nan 0.000 0.561 269 G N 1.241 110.145 108.800 0.174 0.000 2.179 269 G HA2 -0.086 3.875 3.960 0.002 0.000 0.260 269 G HA3 -0.086 3.875 3.960 0.002 0.000 0.260 269 G C -0.157 174.908 174.900 0.276 0.000 0.977 269 G CA -0.198 44.965 45.100 0.106 0.000 0.641 269 G HN 1.062 nan 8.290 nan 0.000 0.533 270 A N -0.245 122.719 122.820 0.239 0.000 2.365 270 A HA 0.773 5.094 4.320 0.002 0.000 0.318 270 A C 0.269 177.932 177.584 0.131 0.000 1.091 270 A CA 0.071 52.200 52.037 0.154 0.000 0.763 270 A CB 1.033 20.090 19.000 0.096 0.000 1.248 270 A HN 0.605 nan 8.150 nan 0.000 0.442 271 K N 1.390 121.836 120.400 0.078 0.000 2.484 271 K HA -0.017 4.304 4.320 0.002 0.000 0.280 271 K C -0.018 176.630 176.600 0.080 0.000 1.013 271 K CA 0.162 56.478 56.287 0.049 0.000 1.029 271 K CB 0.042 32.524 32.500 -0.029 0.000 0.902 271 K HN 0.900 nan 8.250 nan 0.000 0.481 272 H N 2.910 121.977 119.070 -0.005 0.000 2.815 272 H HA 0.106 4.664 4.556 0.002 0.000 0.350 272 H C -0.756 174.454 175.328 -0.196 0.000 1.080 272 H CA 0.680 56.729 56.048 0.002 0.000 1.433 272 H CB 0.626 30.379 29.762 -0.016 0.000 1.432 272 H HN 0.650 nan 8.280 nan 0.000 0.592 273 E N 1.289 120.848 120.200 -1.069 0.000 2.446 273 E HA 0.399 4.750 4.350 0.002 0.000 0.276 273 E C -0.967 175.022 176.600 -1.018 0.000 0.969 273 E CA -0.996 54.677 56.400 -1.212 0.000 0.800 273 E CB 2.137 30.766 29.700 -1.785 0.000 1.341 273 E HN 0.774 nan 8.360 nan 0.000 0.460 274 T N -1.216 112.956 114.554 -0.637 0.000 2.883 274 T HA 0.640 4.991 4.350 0.002 0.000 0.296 274 T C -0.736 173.824 174.700 -0.234 0.000 1.117 274 T CA -1.152 60.759 62.100 -0.314 0.000 1.006 274 T CB 1.631 70.387 68.868 -0.187 0.000 1.191 274 T HN 0.173 nan 8.240 nan 0.000 0.508 275 R N 0.842 121.280 120.500 -0.103 0.000 2.670 275 R HA 0.616 4.957 4.340 0.002 0.000 0.289 275 R C -0.162 176.120 176.300 -0.030 0.000 0.965 275 R CA -0.775 55.286 56.100 -0.066 0.000 0.899 275 R CB 1.943 32.236 30.300 -0.011 0.000 1.173 275 R HN 0.817 nan 8.270 nan 0.000 0.456 276 S N 1.007 116.689 115.700 -0.030 0.000 2.562 276 S HA 0.160 4.631 4.470 0.002 0.000 0.281 276 S C 1.420 176.030 174.600 0.017 0.000 1.333 276 S CA 0.262 58.455 58.200 -0.010 0.000 1.052 276 S CB 0.905 64.095 63.200 -0.016 0.000 0.884 276 S HN 0.639 nan 8.310 nan 0.000 0.506 277 A N 4.317 127.151 122.820 0.024 0.000 1.972 277 A HA -0.068 4.253 4.320 0.002 0.000 0.219 277 A C 1.909 179.515 177.584 0.036 0.000 1.169 277 A CA 1.599 53.659 52.037 0.038 0.000 0.635 277 A CB -0.659 18.363 19.000 0.037 0.000 0.810 277 A HN 0.966 nan 8.150 nan 0.000 0.446 278 E N -0.668 119.547 120.200 0.025 0.000 2.013 278 E HA -0.279 4.072 4.350 0.002 0.000 0.202 278 E C 2.062 178.683 176.600 0.035 0.000 1.018 278 E CA 1.552 57.966 56.400 0.024 0.000 0.834 278 E CB -0.217 29.491 29.700 0.013 0.000 0.770 278 E HN 0.611 nan 8.360 nan 0.000 0.459 279 E N 0.692 120.915 120.200 0.038 0.000 2.130 279 E HA -0.210 4.141 4.350 0.002 0.000 0.196 279 E C 1.859 178.520 176.600 0.103 0.000 0.998 279 E CA 0.693 57.128 56.400 0.059 0.000 0.806 279 E CB -0.198 29.531 29.700 0.049 0.000 0.738 279 E HN 0.128 nan 8.360 nan 0.000 0.459 280 L N -0.574 120.712 121.223 0.104 0.000 1.973 280 L HA -0.113 4.228 4.340 0.002 0.000 0.208 280 L C 2.270 179.202 176.870 0.104 0.000 1.073 280 L CA 1.582 56.519 54.840 0.162 0.000 0.746 280 L CB -0.970 41.167 42.059 0.131 0.000 0.891 280 L HN 0.079 nan 8.230 nan 0.000 0.433 281 V N 0.237 120.180 119.914 0.048 0.000 2.317 281 V HA -0.378 3.743 4.120 0.002 0.000 0.251 281 V C 2.640 178.724 176.094 -0.017 0.000 1.065 281 V CA 2.337 64.638 62.300 0.003 0.000 1.049 281 V CB -0.850 30.980 31.823 0.012 0.000 0.651 281 V HN 0.499 nan 8.190 nan 0.000 0.450 282 K N 0.163 120.570 120.400 0.011 0.000 2.002 282 K HA -0.000 4.321 4.320 0.002 0.000 0.209 282 K C 1.441 178.026 176.600 -0.025 0.000 1.048 282 K CA 0.989 57.278 56.287 0.003 0.000 0.930 282 K CB -0.613 31.902 32.500 0.024 0.000 0.714 282 K HN 0.571 nan 8.250 nan 0.000 0.438 289 D N 1.622 122.041 120.400 0.032 0.000 2.392 289 D HA -0.018 4.623 4.640 0.002 0.000 0.228 289 D C 1.291 177.623 176.300 0.054 0.000 1.003 289 D CA 0.887 54.968 54.000 0.135 0.000 0.917 289 D CB 0.222 41.089 40.800 0.112 0.000 0.890 289 D HN 0.374 nan 8.370 nan 0.000 0.532 290 R N -0.052 120.452 120.500 0.007 0.000 2.535 290 R HA 0.138 4.480 4.340 0.002 0.000 0.323 290 R C 0.067 176.338 176.300 -0.049 0.000 0.979 290 R CA -0.331 55.754 56.100 -0.026 0.000 1.120 290 R CB 0.509 30.781 30.300 -0.048 0.000 1.306 290 R HN -0.110 nan 8.270 nan 0.000 0.540 291 N N 1.236 119.922 118.700 -0.023 0.000 2.725 291 N HA -0.193 4.548 4.740 0.002 0.000 0.249 291 N C -0.585 174.883 175.510 -0.070 0.000 1.103 291 N CA 0.946 53.972 53.050 -0.039 0.000 0.707 291 N CB -1.096 37.363 38.487 -0.048 0.000 1.043 291 N HN 0.343 nan 8.380 nan 0.000 0.553 292 I N 1.054 121.590 120.570 -0.056 0.000 2.416 292 I HA 0.046 4.217 4.170 0.002 0.000 0.288 292 I C 0.969 177.119 176.117 0.054 0.000 1.051 292 I CA 0.017 61.275 61.300 -0.070 0.000 1.375 292 I CB 1.015 38.958 38.000 -0.096 0.000 1.407 292 I HN -0.048 nan 8.210 nan 0.000 0.516 293 S N 6.509 122.235 115.700 0.044 0.000 2.585 293 S HA 0.528 4.999 4.470 0.002 0.000 0.273 293 S C -0.424 174.231 174.600 0.092 0.000 1.339 293 S CA -0.180 58.033 58.200 0.021 0.000 1.028 293 S CB 0.485 63.802 63.200 0.195 0.000 0.906 293 S HN 0.473 nan 8.310 nan 0.000 0.528 294 F N -1.104 118.824 119.950 -0.036 0.000 2.741 294 F HA 0.738 5.266 4.527 0.002 0.000 0.313 294 F C -0.716 175.060 175.800 -0.040 0.000 1.153 294 F CA -1.016 56.952 58.000 -0.053 0.000 0.931 294 F CB 1.392 40.323 39.000 -0.116 0.000 1.335 294 F HN 0.380 nan 8.300 nan 0.000 0.460 295 S N 2.053 117.927 115.700 0.289 0.000 2.779 295 S HA 0.499 4.970 4.470 0.002 0.000 0.293 295 S C -1.497 173.307 174.600 0.340 0.000 1.150 295 S CA -0.556 57.772 58.200 0.213 0.000 1.057 295 S CB 0.859 64.111 63.200 0.087 0.000 1.021 295 S HN 0.909 nan 8.310 nan 0.000 0.485 296 L N 7.321 128.773 121.223 0.382 0.000 2.678 296 L HA 0.322 4.663 4.340 0.002 0.000 0.276 296 L C -0.210 176.778 176.870 0.197 0.000 1.142 296 L CA 0.344 55.381 54.840 0.329 0.000 0.961 296 L CB -0.931 41.289 42.059 0.268 0.000 1.291 296 L HN 0.767 nan 8.230 nan 0.000 0.476 300 H N -0.044 118.988 119.070 -0.062 0.000 3.179 300 H HA 0.458 5.015 4.556 0.002 0.000 0.331 300 H C 0.676 175.933 175.328 -0.118 0.000 1.013 300 H CA 0.177 56.206 56.048 -0.032 0.000 1.430 300 H CB 1.536 31.326 29.762 0.047 0.000 1.895 300 H HN 0.218 nan 8.280 nan 0.000 0.468 301 G N 2.801 111.295 108.800 -0.509 0.000 2.417 301 G HA2 0.352 4.313 3.960 0.002 0.000 0.212 301 G HA3 0.352 4.313 3.960 0.002 0.000 0.212 301 G C 0.834 175.507 174.900 -0.378 0.000 1.187 301 G CA 0.703 45.528 45.100 -0.459 0.000 0.804 301 G HN 1.083 nan 8.290 nan 0.000 0.534 302 G N -1.203 107.247 108.800 -0.583 0.000 2.488 302 G HA2 0.003 3.964 3.960 0.002 0.000 0.237 302 G HA3 0.003 3.964 3.960 0.002 0.000 0.237 302 G C -0.245 174.600 174.900 -0.092 0.000 1.209 302 G CA 0.148 45.076 45.100 -0.287 0.000 0.929 302 G HN 1.037 nan 8.290 nan 0.000 0.578 303 T N 0.221 114.660 114.554 -0.191 0.000 2.916 303 T HA 0.607 4.958 4.350 0.002 0.000 0.298 303 T C -0.099 174.305 174.700 -0.493 0.000 1.031 303 T CA 0.191 62.028 62.100 -0.439 0.000 0.993 303 T CB 1.836 70.118 68.868 -0.976 0.000 1.045 303 T HN 0.850 nan 8.240 nan 0.000 0.454 304 S N 2.810 118.335 115.700 -0.291 0.000 3.919 304 S HA 0.307 4.778 4.470 0.002 0.000 0.245 304 S C 0.178 174.691 174.600 -0.144 0.000 1.344 304 S CA -0.528 57.544 58.200 -0.214 0.000 0.896 304 S CB -0.992 62.079 63.200 -0.216 0.000 1.557 304 S HN 0.450 nan 8.310 nan 0.000 0.468 305 F N 1.898 121.922 119.950 0.123 0.000 2.586 305 F HA 0.328 4.856 4.527 0.002 0.000 0.344 305 F C 1.868 177.734 175.800 0.109 0.000 1.188 305 F CA 1.149 59.260 58.000 0.184 0.000 1.359 305 F CB -0.058 39.136 39.000 0.323 0.000 1.129 305 F HN 0.670 nan 8.300 nan 0.000 0.609 306 G N 1.414 110.376 108.800 0.269 0.000 2.651 306 G HA2 -0.367 3.594 3.960 0.002 0.000 0.315 306 G HA3 -0.367 3.594 3.960 0.002 0.000 0.315 306 G C 0.570 175.341 174.900 -0.215 0.000 1.258 306 G CA 0.564 45.670 45.100 0.010 0.000 1.002 306 G HN 1.117 nan 8.290 nan 0.000 0.551 307 H N -0.437 118.295 119.070 -0.564 0.000 2.542 307 H HA 0.256 4.813 4.556 0.002 0.000 0.283 307 H C 1.668 176.464 175.328 -0.887 0.000 1.059 307 H CA 0.373 56.009 56.048 -0.687 0.000 1.162 307 H CB -0.353 28.907 29.762 -0.835 0.000 1.539 307 H HN 0.623 nan 8.280 nan 0.000 0.543 308 W N 2.261 122.929 121.300 -1.055 0.000 2.800 308 W HA 0.234 4.895 4.660 0.002 0.000 0.249 308 W C 1.441 177.231 176.519 -1.214 0.000 1.294 308 W CA 0.186 56.672 57.345 -1.432 0.000 1.402 308 W CB 0.216 28.484 29.460 -1.985 0.000 1.126 308 W HN 0.247 nan 8.180 nan 0.000 0.652 309 G N 0.896 109.398 108.800 -0.497 0.000 2.554 309 G HA2 0.372 4.333 3.960 0.002 0.000 0.238 309 G HA3 0.372 4.333 3.960 0.002 0.000 0.238 309 G C 0.441 175.204 174.900 -0.228 0.000 1.259 309 G CA -0.020 44.889 45.100 -0.318 0.000 0.843 309 G HN 0.172 nan 8.290 nan 0.000 0.582 310 G N -0.594 108.119 108.800 -0.145 0.000 2.641 310 G HA2 0.827 4.788 3.960 0.002 0.000 0.239 310 G HA3 0.827 4.788 3.960 0.002 0.000 0.239 310 G C -0.389 174.512 174.900 0.002 0.000 1.402 310 G CA 0.057 45.134 45.100 -0.038 0.000 1.046 310 G HN 1.587 nan 8.290 nan 0.000 0.565 311 A N -1.017 121.829 122.820 0.042 0.000 2.604 311 A HA 0.587 4.908 4.320 0.002 0.000 0.295 311 A C -0.600 177.040 177.584 0.094 0.000 1.067 311 A CA -0.669 51.354 52.037 -0.024 0.000 0.683 311 A CB 1.218 20.061 19.000 -0.261 0.000 1.281 311 A HN 0.693 nan 8.150 nan 0.000 0.407 312 N N 0.308 119.066 118.700 0.097 0.000 2.467 312 N HA 0.504 5.245 4.740 0.002 0.000 0.262 312 N C -1.270 174.402 175.510 0.270 0.000 1.234 312 N CA 0.330 53.492 53.050 0.186 0.000 0.952 312 N CB 0.762 39.306 38.487 0.094 0.000 1.158 312 N HN 0.612 nan 8.380 nan 0.000 0.463 313 F N 2.792 122.849 119.950 0.178 0.000 2.588 313 F HA 0.493 5.021 4.527 0.002 0.000 0.310 313 F C -1.774 174.144 175.800 0.196 0.000 1.082 313 F CA -1.801 56.335 58.000 0.227 0.000 0.929 313 F CB 1.975 41.157 39.000 0.303 0.000 1.254 313 F HN 0.354 nan 8.300 nan 0.000 0.455 314 P HA -0.044 nan 4.420 nan 0.000 0.230 314 P C -0.781 176.377 177.300 -0.236 0.000 1.168 314 P CA 0.516 62.957 63.100 -1.098 0.000 0.793 314 P CB -0.080 30.997 31.700 -1.038 0.000 0.851 315 N N 1.380 120.018 118.700 -0.104 0.000 2.415 315 N HA -0.006 4.735 4.740 0.002 0.000 0.250 315 N C -0.518 175.085 175.510 0.155 0.000 1.127 315 N CA -0.718 52.357 53.050 0.042 0.000 0.945 315 N CB -0.099 38.383 38.487 -0.009 0.000 1.196 315 N HN -0.064 nan 8.380 nan 0.000 0.499 316 F N 2.380 122.409 119.950 0.131 0.000 2.549 316 F HA -0.024 4.504 4.527 0.002 0.000 0.400 316 F C 0.371 176.348 175.800 0.295 0.000 1.011 316 F CA 0.608 58.727 58.000 0.197 0.000 1.148 316 F CB 0.251 39.346 39.000 0.157 0.000 0.993 316 F HN 0.500 nan 8.300 nan 0.000 0.540 317 S N 8.346 123.848 115.700 -0.329 0.000 2.737 317 S HA 0.405 4.876 4.470 0.002 0.000 0.269 317 S C -2.933 171.622 174.600 -0.074 0.000 1.150 317 S CA -1.367 56.822 58.200 -0.019 0.000 1.077 317 S CB 1.027 64.225 63.200 -0.003 0.000 1.075 317 S HN 0.463 nan 8.310 nan 0.000 0.476 318 P HA 0.183 nan 4.420 nan 0.000 0.276 318 P C 0.200 177.632 177.300 0.220 0.000 1.230 318 P CA -0.051 63.110 63.100 0.102 0.000 0.776 318 P CB 0.558 32.461 31.700 0.338 0.000 0.888 319 T N 1.192 115.758 114.554 0.020 0.000 2.898 319 T HA 0.180 4.531 4.350 0.002 0.000 0.301 319 T C 0.520 175.055 174.700 -0.274 0.000 1.049 319 T CA -0.487 61.479 62.100 -0.222 0.000 1.095 319 T CB -0.157 68.591 68.868 -0.199 0.000 0.976 319 T HN 0.409 nan 8.240 nan 0.000 0.539 320 C N 2.508 121.466 119.300 -0.568 0.000 2.649 320 C HA 0.251 4.712 4.460 0.002 0.000 0.377 320 C C 2.538 177.355 174.990 -0.289 0.000 1.321 320 C CA -0.354 58.094 59.018 -0.949 0.000 2.368 320 C CB 0.208 27.376 27.740 -0.954 0.000 2.597 320 C HN 1.106 nan 8.230 nan 0.000 0.678 321 T N 1.014 115.523 114.554 -0.074 0.000 2.708 321 T HA -0.134 4.217 4.350 0.002 0.000 0.266 321 T C 0.979 175.662 174.700 -0.029 0.000 1.037 321 T CA 1.541 63.675 62.100 0.056 0.000 1.146 321 T CB -0.204 68.786 68.868 0.202 0.000 0.865 321 T HN 0.780 nan 8.240 nan 0.000 0.435 322 S N 0.400 116.077 115.700 -0.039 0.000 2.537 322 S HA 0.007 4.478 4.470 0.002 0.000 0.286 322 S C -0.313 174.326 174.600 0.066 0.000 1.299 322 S CA -0.400 57.794 58.200 -0.011 0.000 1.067 322 S CB 0.016 63.198 63.200 -0.029 0.000 0.864 322 S HN 0.423 nan 8.310 nan 0.000 0.494 323 Y N 3.616 123.861 120.300 -0.092 0.000 2.736 323 Y HA 0.254 4.805 4.550 0.002 0.000 0.293 323 Y C 0.986 176.892 175.900 0.010 0.000 1.062 323 Y CA -1.080 57.001 58.100 -0.032 0.000 1.247 323 Y CB -0.268 38.149 38.460 -0.072 0.000 1.200 323 Y HN 0.915 nan 8.280 nan 0.000 0.552 324 D N -0.231 120.168 120.400 -0.003 0.000 2.133 324 D HA -0.331 4.310 4.640 0.002 0.000 0.195 324 D C 0.990 177.299 176.300 0.016 0.000 0.997 324 D CA 2.443 56.434 54.000 -0.015 0.000 0.840 324 D CB -0.111 40.697 40.800 0.013 0.000 0.947 324 D HN 0.444 nan 8.370 nan 0.000 0.452 325 Y N -0.516 119.673 120.300 -0.185 0.000 4.916 325 Y HA -0.437 4.114 4.550 0.002 0.000 0.247 325 Y C 0.412 176.306 175.900 -0.010 0.000 0.962 325 Y CA 1.511 59.506 58.100 -0.174 0.000 1.933 325 Y CB -1.600 36.624 38.460 -0.393 0.000 1.451 325 Y HN 0.311 nan 8.280 nan 0.000 0.539 326 D N -1.394 119.083 120.400 0.129 0.000 2.800 326 D HA -0.137 4.504 4.640 0.002 0.000 0.232 326 D C 0.152 176.539 176.300 0.145 0.000 1.137 326 D CA 0.944 55.017 54.000 0.120 0.000 0.718 326 D CB -1.142 39.713 40.800 0.092 0.000 1.084 326 D HN 0.843 nan 8.370 nan 0.000 0.432 327 A N -0.270 122.643 122.820 0.156 0.000 2.313 327 A HA 0.591 4.912 4.320 0.002 0.000 0.261 327 A C -0.989 176.687 177.584 0.153 0.000 1.090 327 A CA -0.546 51.582 52.037 0.152 0.000 0.807 327 A CB 0.430 19.484 19.000 0.090 0.000 1.055 327 A HN 0.138 nan 8.150 nan 0.000 0.492 328 P HA -0.100 nan 4.420 nan 0.000 0.216 328 P C -0.098 177.361 177.300 0.265 0.000 1.153 328 P CA 1.230 64.473 63.100 0.238 0.000 0.858 328 P CB -0.022 31.828 31.700 0.249 0.000 0.789 329 I N 0.341 121.051 120.570 0.233 0.000 2.307 329 I HA 0.141 4.312 4.170 0.002 0.000 0.289 329 I C 0.686 176.925 176.117 0.203 0.000 1.021 329 I CA -1.146 60.237 61.300 0.137 0.000 1.224 329 I CB 0.619 38.686 38.000 0.111 0.000 1.376 329 I HN -0.042 nan 8.210 nan 0.000 0.470 330 N N 5.163 123.926 118.700 0.104 0.000 2.288 330 N HA -0.070 4.671 4.740 0.002 0.000 0.237 330 N C 0.926 176.523 175.510 0.144 0.000 1.311 330 N CA -0.121 52.987 53.050 0.097 0.000 0.909 330 N CB 0.542 39.043 38.487 0.023 0.000 1.167 330 N HN 0.648 nan 8.380 nan 0.000 0.476 331 E N -0.497 119.726 120.200 0.040 0.000 2.136 331 E HA -0.279 4.072 4.350 0.002 0.000 0.202 331 E C 0.760 177.267 176.600 -0.156 0.000 1.019 331 E CA 2.205 58.581 56.400 -0.039 0.000 0.819 331 E CB -0.205 29.419 29.700 -0.126 0.000 0.739 331 E HN 0.740 nan 8.360 nan 0.000 0.458 332 S N -1.441 114.116 115.700 -0.238 0.000 2.605 332 S HA 0.269 4.740 4.470 0.002 0.000 0.217 332 S C 1.210 175.733 174.600 -0.128 0.000 0.958 332 S CA 0.230 58.238 58.200 -0.320 0.000 0.919 332 S CB 0.612 63.737 63.200 -0.125 0.000 0.780 332 S HN 0.542 nan 8.310 nan 0.000 0.507 333 G N 1.124 109.877 108.800 -0.080 0.000 2.160 333 G HA2 -0.249 3.712 3.960 0.002 0.000 0.244 333 G HA3 -0.249 3.712 3.960 0.002 0.000 0.244 333 G C -0.150 174.694 174.900 -0.092 0.000 1.022 333 G CA 0.074 45.082 45.100 -0.153 0.000 0.741 333 G HN 0.572 nan 8.290 nan 0.000 0.508 334 K N -0.440 119.904 120.400 -0.093 0.000 2.087 334 K HA 0.604 4.926 4.320 0.002 0.000 0.255 334 K C 0.780 177.270 176.600 -0.182 0.000 0.988 334 K CA -0.895 55.327 56.287 -0.108 0.000 0.915 334 K CB 1.932 34.398 32.500 -0.058 0.000 1.043 334 K HN 0.016 nan 8.250 nan 0.000 0.457 335 V N 1.904 121.679 119.914 -0.232 0.000 2.715 335 V HA 0.074 4.195 4.120 0.002 0.000 0.299 335 V C 0.532 176.584 176.094 -0.070 0.000 1.054 335 V CA 0.105 62.228 62.300 -0.294 0.000 1.077 335 V CB 0.980 32.680 31.823 -0.205 0.000 0.972 335 V HN 1.011 nan 8.190 nan 0.000 0.484 336 T N 1.769 116.347 114.554 0.041 0.000 2.901 336 T HA 0.480 4.831 4.350 0.002 0.000 0.293 336 T C -2.236 172.536 174.700 0.121 0.000 1.084 336 T CA -2.023 60.123 62.100 0.075 0.000 1.008 336 T CB 2.125 71.043 68.868 0.083 0.000 1.170 336 T HN 0.318 nan 8.240 nan 0.000 0.509 337 P HA -0.078 nan 4.420 nan 0.000 0.216 337 P C 1.429 178.785 177.300 0.093 0.000 1.150 337 P CA 1.084 64.230 63.100 0.077 0.000 0.843 337 P CB 0.135 31.864 31.700 0.048 0.000 0.787 338 K N -1.417 119.044 120.400 0.101 0.000 2.057 338 K HA -0.215 4.106 4.320 0.002 0.000 0.207 338 K C 2.179 178.854 176.600 0.124 0.000 1.049 338 K CA 1.180 57.527 56.287 0.099 0.000 0.931 338 K CB -0.677 31.884 32.500 0.102 0.000 0.714 338 K HN 0.020 nan 8.250 nan 0.000 0.440 339 Y N 1.645 121.968 120.300 0.040 0.000 2.070 339 Y HA -0.261 4.290 4.550 0.002 0.000 0.280 339 Y C 1.790 177.711 175.900 0.034 0.000 1.148 339 Y CA 1.895 60.019 58.100 0.039 0.000 1.125 339 Y CB -0.334 38.145 38.460 0.032 0.000 0.975 339 Y HN 0.000 nan 8.280 nan 0.000 0.492 340 L N 0.022 121.348 121.223 0.171 0.000 2.013 340 L HA -0.276 4.065 4.340 0.002 0.000 0.212 340 L C 2.538 179.407 176.870 -0.002 0.000 1.073 340 L CA 2.068 56.953 54.840 0.075 0.000 0.753 340 L CB -0.682 41.441 42.059 0.108 0.000 0.890 340 L HN 0.306 nan 8.230 nan 0.000 0.432 341 E N -0.284 119.926 120.200 0.016 0.000 2.110 341 E HA -0.178 4.173 4.350 0.002 0.000 0.193 341 E C 2.168 178.757 176.600 -0.019 0.000 0.988 341 E CA 1.166 57.570 56.400 0.007 0.000 0.804 341 E CB 0.188 29.902 29.700 0.023 0.000 0.745 341 E HN 0.266 nan 8.360 nan 0.000 0.458 342 V N 0.525 120.409 119.914 -0.050 0.000 2.488 342 V HA -0.146 3.975 4.120 0.002 0.000 0.246 342 V C 2.398 178.424 176.094 -0.114 0.000 1.046 342 V CA 1.684 63.943 62.300 -0.069 0.000 1.053 342 V CB -0.443 31.340 31.823 -0.066 0.000 0.679 342 V HN 0.222 nan 8.190 nan 0.000 0.458 343 R N 0.629 120.996 120.500 -0.221 0.000 2.096 343 R HA -0.192 4.149 4.340 0.002 0.000 0.235 343 R C 2.026 178.273 176.300 -0.087 0.000 1.127 343 R CA 2.146 58.108 56.100 -0.230 0.000 0.968 343 R CB -0.200 29.874 30.300 -0.377 0.000 0.861 343 R HN 0.518 nan 8.270 nan 0.000 0.440 344 N N 0.291 118.961 118.700 -0.050 0.000 2.216 344 N HA -0.116 4.625 4.740 0.002 0.000 0.183 344 N C 1.429 176.954 175.510 0.024 0.000 1.017 344 N CA 0.835 53.882 53.050 -0.006 0.000 0.861 344 N CB -0.155 38.334 38.487 0.003 0.000 0.986 344 N HN 0.136 nan 8.380 nan 0.000 0.428 345 L N 0.790 122.029 121.223 0.027 0.000 1.976 345 L HA -0.022 4.319 4.340 0.002 0.000 0.209 345 L C 1.717 178.675 176.870 0.147 0.000 1.071 345 L CA 1.550 56.438 54.840 0.080 0.000 0.746 345 L CB -0.795 41.287 42.059 0.038 0.000 0.890 345 L HN 0.142 nan 8.230 nan 0.000 0.432 346 L N -0.150 121.118 121.223 0.076 0.000 2.129 346 L HA -0.180 4.161 4.340 0.002 0.000 0.212 346 L C 2.466 179.417 176.870 0.135 0.000 1.087 346 L CA 1.233 56.133 54.840 0.099 0.000 0.757 346 L CB -1.397 40.681 42.059 0.031 0.000 0.896 346 L HN 0.557 nan 8.230 nan 0.000 0.434 347 G N -0.414 108.432 108.800 0.075 0.000 2.527 347 G HA2 -0.242 3.719 3.960 0.002 0.000 0.219 347 G HA3 -0.242 3.719 3.960 0.002 0.000 0.219 347 G C 1.343 176.278 174.900 0.058 0.000 1.117 347 G CA 0.677 45.809 45.100 0.052 0.000 0.759 347 G HN 0.384 nan 8.290 nan 0.000 0.556 348 N N -0.291 118.466 118.700 0.096 0.000 2.387 348 N HA 0.005 4.746 4.740 0.002 0.000 0.176 348 N C 0.861 176.319 175.510 -0.088 0.000 1.022 348 N CA 0.388 53.425 53.050 -0.022 0.000 0.883 348 N CB -0.201 38.222 38.487 -0.107 0.000 1.019 348 N HN 0.378 nan 8.380 nan 0.000 0.435 349 Y N 1.328 121.620 120.300 -0.013 0.000 2.465 349 Y HA 0.248 4.799 4.550 0.002 0.000 0.311 349 Y C 0.761 176.646 175.900 -0.025 0.000 1.204 349 Y CA -0.181 57.908 58.100 -0.018 0.000 1.272 349 Y CB -0.699 37.753 38.460 -0.013 0.000 1.083 349 Y HN -0.081 nan 8.280 nan 0.000 0.508 350 L N 1.240 122.511 121.223 0.080 0.000 2.436 350 L HA 0.220 4.561 4.340 0.002 0.000 0.265 350 L C -1.719 175.164 176.870 0.021 0.000 1.168 350 L CA -2.007 52.861 54.840 0.045 0.000 0.815 350 L CB 0.354 42.433 42.059 0.032 0.000 1.109 350 L HN -0.001 nan 8.230 nan 0.000 0.462 351 P HA -0.015 nan 4.420 nan 0.000 0.270 351 P C -0.967 176.336 177.300 0.006 0.000 1.227 351 P CA -0.248 62.863 63.100 0.017 0.000 0.788 351 P CB 0.320 32.038 31.700 0.031 0.000 0.926 352 E N 0.744 120.944 120.200 0.001 0.000 2.480 352 E HA 0.223 4.574 4.350 0.002 0.000 0.258 352 E C 0.954 177.553 176.600 -0.000 0.000 0.984 352 E CA 0.797 57.194 56.400 -0.006 0.000 0.930 352 E CB -0.437 29.259 29.700 -0.007 0.000 0.936 352 E HN 0.759 nan 8.360 nan 0.000 0.466 353 G N 2.913 111.711 108.800 -0.004 0.000 2.225 353 G HA2 -0.245 3.716 3.960 0.002 0.000 0.264 353 G HA3 -0.245 3.716 3.960 0.002 0.000 0.264 353 G C -0.251 174.652 174.900 0.005 0.000 1.060 353 G CA -0.186 44.914 45.100 -0.000 0.000 0.833 353 G HN 0.449 nan 8.290 nan 0.000 0.498 354 E N -0.363 119.841 120.200 0.006 0.000 2.227 354 E HA 0.659 5.010 4.350 0.002 0.000 0.268 354 E C -0.249 176.357 176.600 0.010 0.000 0.907 354 E CA -0.370 56.037 56.400 0.011 0.000 0.786 354 E CB 2.079 31.790 29.700 0.018 0.000 1.191 354 E HN 0.204 nan 8.360 nan 0.000 0.411 355 T N 2.035 116.596 114.554 0.012 0.000 2.824 355 T HA 0.440 4.791 4.350 0.002 0.000 0.282 355 T C -0.134 174.574 174.700 0.013 0.000 0.993 355 T CA -0.631 61.475 62.100 0.011 0.000 0.967 355 T CB 0.499 69.372 68.868 0.009 0.000 0.960 355 T HN 0.296 nan 8.240 nan 0.000 0.441 356 L N 6.159 127.390 121.223 0.013 0.000 2.485 356 L HA 0.295 4.636 4.340 0.002 0.000 0.275 356 L C -1.652 175.227 176.870 0.015 0.000 1.207 356 L CA -1.571 53.277 54.840 0.014 0.000 0.855 356 L CB 0.629 42.694 42.059 0.010 0.000 1.114 356 L HN 0.588 nan 8.230 nan 0.000 0.485 357 P HA 0.032 nan 4.420 nan 0.000 0.271 357 P C -0.640 176.673 177.300 0.021 0.000 1.233 357 P CA -0.352 62.756 63.100 0.013 0.000 0.789 357 P CB 0.437 32.142 31.700 0.009 0.000 0.951 358 E N 0.656 120.866 120.200 0.017 0.000 2.373 358 E HA 0.176 4.527 4.350 0.002 0.000 0.263 358 E C 0.186 176.803 176.600 0.029 0.000 1.073 358 E CA -0.208 56.206 56.400 0.023 0.000 0.894 358 E CB 0.468 30.176 29.700 0.014 0.000 1.008 358 E HN 0.326 nan 8.360 nan 0.000 0.420 359 I N 3.891 124.488 120.570 0.045 0.000 2.396 359 I HA 0.101 4.272 4.170 0.002 0.000 0.289 359 I C -1.814 174.297 176.117 -0.011 0.000 1.056 359 I CA -1.695 59.632 61.300 0.045 0.000 1.365 359 I CB 0.364 38.417 38.000 0.088 0.000 1.407 359 I HN 0.127 nan 8.210 nan 0.000 0.509 360 P HA 0.058 nan 4.420 nan 0.000 0.270 360 P C -0.910 176.379 177.300 -0.020 0.000 1.223 360 P CA -0.281 62.775 63.100 -0.073 0.000 0.785 360 P CB 0.421 31.994 31.700 -0.211 0.000 0.923 361 D N -0.086 120.329 120.400 0.025 0.000 2.372 361 D HA 0.096 4.737 4.640 0.002 0.000 0.243 361 D C 0.491 176.844 176.300 0.088 0.000 1.121 361 D CA 0.131 54.153 54.000 0.036 0.000 0.898 361 D CB 0.480 41.294 40.800 0.023 0.000 1.202 361 D HN 0.346 nan 8.370 nan 0.000 0.428 362 S N 0.794 116.515 115.700 0.034 0.000 2.600 362 S HA 0.264 4.735 4.470 0.002 0.000 0.265 362 S C 0.280 174.816 174.600 -0.107 0.000 1.325 362 S CA -0.717 57.472 58.200 -0.018 0.000 1.002 362 S CB 0.528 63.703 63.200 -0.041 0.000 0.921 362 S HN 0.260 nan 8.310 nan 0.000 0.554 363 I N 2.911 123.332 120.570 -0.248 0.000 2.395 363 I HA 0.329 4.500 4.170 0.002 0.000 0.289 363 I C -1.665 174.385 176.117 -0.111 0.000 1.023 363 I CA -2.027 59.128 61.300 -0.241 0.000 1.350 363 I CB 0.325 38.065 38.000 -0.434 0.000 1.409 363 I HN 0.561 nan 8.210 nan 0.000 0.507 364 P HA 0.121 nan 4.420 nan 0.000 0.269 364 P C -0.661 176.637 177.300 -0.004 0.000 1.215 364 P CA -0.305 62.783 63.100 -0.019 0.000 0.780 364 P CB 0.464 32.160 31.700 -0.008 0.000 0.898 365 T N -0.027 114.542 114.554 0.025 0.000 2.855 365 T HA 0.729 5.080 4.350 0.002 0.000 0.281 365 T C 0.314 175.040 174.700 0.043 0.000 1.007 365 T CA -0.840 61.287 62.100 0.046 0.000 1.009 365 T CB 0.773 69.713 68.868 0.119 0.000 0.983 365 T HN 0.434 nan 8.240 nan 0.000 0.455 366 I N -0.447 120.143 120.570 0.033 0.000 2.957 366 I HA 0.915 5.086 4.170 0.002 0.000 0.310 366 I C -0.488 175.654 176.117 0.041 0.000 1.063 366 I CA -1.858 59.462 61.300 0.034 0.000 1.033 366 I CB 1.946 39.962 38.000 0.026 0.000 1.230 366 I HN 0.832 nan 8.210 nan 0.000 0.447 367 A N 5.088 127.930 122.820 0.038 0.000 2.303 367 A HA 0.791 5.112 4.320 0.002 0.000 0.320 367 A C -0.645 176.945 177.584 0.011 0.000 1.192 367 A CA -0.595 51.462 52.037 0.034 0.000 0.821 367 A CB 0.662 19.684 19.000 0.038 0.000 1.188 367 A HN 0.683 nan 8.150 nan 0.000 0.492 368 I N 4.578 125.136 120.570 -0.019 0.000 2.354 368 I HA 0.326 4.497 4.170 0.002 0.000 0.292 368 I C -1.933 174.147 176.117 -0.062 0.000 0.989 368 I CA -2.171 59.093 61.300 -0.059 0.000 1.188 368 I CB 2.112 40.015 38.000 -0.163 0.000 1.342 368 I HN 0.510 nan 8.210 nan 0.000 0.457 369 P HA 0.022 nan 4.420 nan 0.000 0.271 369 P C -0.250 177.023 177.300 -0.045 0.000 1.218 369 P CA -0.160 62.925 63.100 -0.024 0.000 0.780 369 P CB 0.296 31.996 31.700 0.000 0.000 0.901 370 T N 3.019 117.561 114.554 -0.021 0.000 2.658 370 T HA -0.055 4.296 4.350 0.002 0.000 0.252 370 T C 0.624 175.313 174.700 -0.018 0.000 1.021 370 T CA 0.881 62.973 62.100 -0.013 0.000 1.169 370 T CB -0.794 68.079 68.868 0.009 0.000 1.015 370 T HN 0.208 nan 8.240 nan 0.000 0.489 371 I N 4.368 124.920 120.570 -0.031 0.000 2.330 371 I HA 0.321 4.492 4.170 0.002 0.000 0.289 371 I C 0.700 176.854 176.117 0.062 0.000 1.001 371 I CA -0.719 60.571 61.300 -0.016 0.000 1.193 371 I CB 1.164 39.090 38.000 -0.123 0.000 1.345 371 I HN 0.455 nan 8.210 nan 0.000 0.461 378 V N 4.163 123.972 119.914 -0.176 0.000 2.529 378 V HA 0.015 4.136 4.120 0.002 0.000 0.292 378 V C 1.872 177.865 176.094 -0.170 0.000 1.028 378 V CA 0.507 62.704 62.300 -0.172 0.000 1.074 378 V CB 0.877 32.632 31.823 -0.113 0.000 0.958 378 V HN 1.046 nan 8.190 nan 0.000 0.481 379 L N 5.650 126.720 121.223 -0.254 0.000 2.013 379 L HA -0.129 4.212 4.340 0.002 0.000 0.212 379 L C 1.861 178.627 176.870 -0.174 0.000 1.073 379 L CA 2.244 56.944 54.840 -0.234 0.000 0.753 379 L CB -0.628 41.188 42.059 -0.405 0.000 0.890 379 L HN 0.572 nan 8.230 nan 0.000 0.432 380 F N 0.019 119.866 119.950 -0.172 0.000 2.269 380 F HA -0.146 4.382 4.527 0.002 0.000 0.301 380 F C 2.072 177.764 175.800 -0.181 0.000 1.082 380 F CA 1.015 58.887 58.000 -0.214 0.000 1.360 380 F CB -0.886 37.965 39.000 -0.249 0.000 1.041 380 F HN 0.247 nan 8.300 nan 0.000 0.512 381 D N -0.888 119.522 120.400 0.018 0.000 2.328 381 D HA 0.014 4.655 4.640 0.002 0.000 0.221 381 D C 0.491 176.752 176.300 -0.066 0.000 1.072 381 D CA 0.377 54.359 54.000 -0.031 0.000 0.850 381 D CB -0.172 40.602 40.800 -0.043 0.000 0.922 381 D HN 0.307 nan 8.370 nan 0.000 0.516 382 N N 0.620 119.277 118.700 -0.071 0.000 2.536 382 N HA 0.133 4.874 4.740 0.002 0.000 0.286 382 N C -0.227 175.258 175.510 -0.043 0.000 1.577 382 N CA -0.086 52.903 53.050 -0.101 0.000 0.883 382 N CB 1.639 40.021 38.487 -0.175 0.000 1.390 382 N HN 0.072 nan 8.380 nan 0.000 0.491 383 L N 1.983 123.192 121.223 -0.022 0.000 2.417 383 L HA 0.326 4.667 4.340 0.002 0.000 0.268 383 L C -1.237 175.728 176.870 0.160 0.000 1.158 383 L CA -1.007 53.845 54.840 0.020 0.000 0.819 383 L CB 0.119 42.018 42.059 -0.267 0.000 1.112 383 L HN -0.005 nan 8.230 nan 0.000 0.458 384 P HA 0.128 nan 4.420 nan 0.000 0.297 384 P C -0.830 176.731 177.300 0.435 0.000 1.303 384 P CA -0.525 62.765 63.100 0.316 0.000 0.753 384 P CB 0.410 32.296 31.700 0.311 0.000 1.281 385 H N 0.102 119.266 119.070 0.157 0.000 2.764 385 H HA 0.223 4.780 4.556 0.002 0.000 0.341 385 H C -1.607 173.721 175.328 0.001 0.000 1.072 385 H CA -1.599 54.509 56.048 0.101 0.000 1.444 385 H CB -0.767 29.018 29.762 0.039 0.000 1.458 385 H HN 0.295 nan 8.280 nan 0.000 0.572 386 P HA 0.156 nan 4.420 nan 0.000 0.274 386 P C -0.810 176.304 177.300 -0.311 0.000 1.231 386 P CA -0.478 62.286 63.100 -0.560 0.000 0.790 386 P CB 1.382 32.679 31.700 -0.671 0.000 0.951 387 K N 1.866 122.036 120.400 -0.383 0.000 2.235 387 K HA 0.306 4.627 4.320 0.002 0.000 0.266 387 K C -0.046 176.445 176.600 -0.181 0.000 0.980 387 K CA -0.485 55.685 56.287 -0.195 0.000 0.849 387 K CB 1.496 33.882 32.500 -0.191 0.000 1.098 387 K HN 0.403 nan 8.250 nan 0.000 0.445 388 E N 1.221 121.391 120.200 -0.051 0.000 2.227 388 E HA 0.218 4.569 4.350 0.002 0.000 0.282 388 E C -0.808 175.859 176.600 0.111 0.000 1.015 388 E CA -0.419 55.982 56.400 0.001 0.000 0.823 388 E CB 1.726 31.424 29.700 -0.004 0.000 1.081 388 E HN 0.243 nan 8.360 nan 0.000 0.396 389 S N 1.851 117.655 115.700 0.174 0.000 2.614 389 S HA 0.061 4.532 4.470 0.002 0.000 0.275 389 S C 0.443 175.210 174.600 0.278 0.000 1.161 389 S CA -0.648 57.708 58.200 0.259 0.000 0.969 389 S CB 1.518 64.977 63.200 0.431 0.000 1.059 389 S HN 0.697 nan 8.310 nan 0.000 0.482 390 E N 2.851 123.168 120.200 0.195 0.000 2.031 390 E HA -0.104 4.247 4.350 0.002 0.000 0.193 390 E C -0.169 176.596 176.600 0.274 0.000 0.994 390 E CA 1.354 57.856 56.400 0.170 0.000 0.800 390 E CB 0.098 29.856 29.700 0.098 0.000 0.752 390 E HN 0.692 nan 8.360 nan 0.000 0.447 391 D N -0.203 120.343 120.400 0.244 0.000 2.440 391 D HA 0.198 4.839 4.640 0.002 0.000 0.258 391 D C 0.100 176.535 176.300 0.225 0.000 1.092 391 D CA -0.576 53.568 54.000 0.240 0.000 1.016 391 D CB 0.971 41.837 40.800 0.110 0.000 1.141 391 D HN 0.028 nan 8.370 nan 0.000 0.552 392 I N 1.114 121.733 120.570 0.081 0.000 2.634 392 I HA 0.103 4.274 4.170 0.002 0.000 0.284 392 I C 0.723 176.848 176.117 0.013 0.000 1.124 392 I CA 0.443 61.689 61.300 -0.090 0.000 1.417 392 I CB 0.107 37.943 38.000 -0.275 0.000 1.396 392 I HN 0.173 nan 8.210 nan 0.000 0.571 393 R N 2.654 123.248 120.500 0.157 0.000 2.740 393 R HA 0.417 4.758 4.340 0.002 0.000 0.273 393 R C -0.121 176.294 176.300 0.190 0.000 0.998 393 R CA -0.773 55.347 56.100 0.033 0.000 0.900 393 R CB 1.973 32.109 30.300 -0.273 0.000 1.223 393 R HN 0.711 nan 8.270 nan 0.000 0.466 397 A N 0.383 123.219 122.820 0.028 0.000 2.121 397 A HA 0.020 4.341 4.320 0.002 0.000 0.218 397 A C 0.861 178.220 177.584 -0.375 0.000 1.154 397 A CA 0.875 52.787 52.037 -0.207 0.000 0.679 397 A CB -0.521 18.237 19.000 -0.404 0.000 0.795 397 A HN 0.169 nan 8.150 nan 0.000 0.458 398 F N -0.651 119.322 119.950 0.040 0.000 2.668 398 F HA 0.245 4.773 4.527 0.002 0.000 0.297 398 F C 0.624 176.427 175.800 0.005 0.000 1.124 398 F CA -0.326 57.669 58.000 -0.008 0.000 1.353 398 F CB -0.242 38.712 39.000 -0.077 0.000 0.992 398 F HN 0.289 nan 8.300 nan 0.000 0.524 399 D N 1.398 121.910 120.400 0.186 0.000 2.837 399 D HA -0.253 4.388 4.640 0.002 0.000 0.230 399 D C 0.149 176.518 176.300 0.115 0.000 1.152 399 D CA 0.818 54.969 54.000 0.251 0.000 0.736 399 D CB -0.679 40.229 40.800 0.180 0.000 1.084 399 D HN 0.500 nan 8.370 nan 0.000 0.429 400 Q N -1.185 118.523 119.800 -0.155 0.000 2.356 400 Q HA 0.593 4.934 4.340 0.002 0.000 0.270 400 Q C 0.779 176.050 176.000 -1.215 0.000 1.058 400 Q CA -0.198 55.268 55.803 -0.562 0.000 0.802 400 Q CB 1.628 30.184 28.738 -0.304 0.000 1.303 400 Q HN 0.122 nan 8.270 nan 0.000 0.444 401 G N 3.014 110.591 108.800 -2.038 0.000 2.748 401 G HA2 0.141 4.102 3.960 0.002 0.000 0.204 401 G HA3 0.141 4.102 3.960 0.002 0.000 0.204 401 G C -0.549 173.479 174.900 -1.454 0.000 1.095 401 G CA 0.047 43.654 45.100 -2.488 0.000 0.775 401 G HN 0.525 nan 8.290 nan 0.000 0.531 402 W N -0.460 120.402 121.300 -0.730 0.000 2.936 402 W HA 0.612 5.273 4.660 0.002 0.000 0.338 402 W C 0.578 176.857 176.519 -0.399 0.000 1.121 402 W CA -0.395 56.629 57.345 -0.536 0.000 1.209 402 W CB 1.170 30.163 29.460 -0.778 0.000 1.420 402 W HN 0.545 nan 8.180 nan 0.000 0.516 403 G N 0.903 109.677 108.800 -0.045 0.000 2.408 403 G HA2 -0.002 3.959 3.960 0.002 0.000 0.204 403 G HA3 -0.002 3.959 3.960 0.002 0.000 0.204 403 G C -1.006 173.869 174.900 -0.041 0.000 1.186 403 G CA -0.612 44.453 45.100 -0.059 0.000 1.139 403 G HN 0.462 nan 8.290 nan 0.000 0.563 404 S N -0.774 114.902 115.700 -0.040 0.000 2.638 404 S HA 0.830 5.301 4.470 0.002 0.000 0.302 404 S C -0.641 173.940 174.600 -0.031 0.000 1.096 404 S CA -0.095 58.102 58.200 -0.005 0.000 0.953 404 S CB 1.866 65.080 63.200 0.023 0.000 1.107 404 S HN 1.204 nan 8.310 nan 0.000 0.503 405 I N 2.124 122.694 120.570 0.000 0.000 2.571 405 I HA 0.487 4.658 4.170 0.002 0.000 0.289 405 I C -2.002 174.099 176.117 -0.026 0.000 1.115 405 I CA -0.975 60.276 61.300 -0.082 0.000 1.045 405 I CB 1.358 39.260 38.000 -0.164 0.000 1.238 405 I HN 0.514 nan 8.210 nan 0.000 0.424 406 L N 8.631 129.839 121.223 -0.024 0.000 2.272 406 L HA 0.500 4.841 4.340 0.002 0.000 0.289 406 L C -1.689 175.205 176.870 0.038 0.000 1.032 406 L CA -0.001 54.918 54.840 0.131 0.000 0.810 406 L CB 0.822 43.027 42.059 0.243 0.000 1.205 406 L HN 0.416 nan 8.230 nan 0.000 0.422 407 Y N 5.269 125.637 120.300 0.112 0.000 2.353 407 Y HA 0.577 5.128 4.550 0.002 0.000 0.340 407 Y C 0.265 176.412 175.900 0.411 0.000 0.972 407 Y CA -0.292 57.877 58.100 0.114 0.000 1.157 407 Y CB 0.992 39.272 38.460 -0.300 0.000 1.157 407 Y HN 0.581 nan 8.280 nan 0.000 0.495 408 R N 1.875 122.744 120.500 0.615 0.000 2.740 408 R HA 0.818 5.159 4.340 0.002 0.000 0.282 408 R C -1.128 175.336 176.300 0.274 0.000 0.969 408 R CA -0.327 56.034 56.100 0.434 0.000 0.918 408 R CB 2.145 32.630 30.300 0.310 0.000 1.175 408 R HN 0.722 nan 8.270 nan 0.000 0.464 409 T N 0.411 114.967 114.554 0.002 0.000 2.711 409 T HA 0.413 4.764 4.350 0.002 0.000 0.302 409 T C -1.475 173.113 174.700 -0.186 0.000 1.373 409 T CA -0.489 61.446 62.100 -0.275 0.000 1.000 409 T CB 1.223 69.566 68.868 -0.874 0.000 1.483 409 T HN 0.745 nan 8.240 nan 0.000 0.499 410 S N 0.791 116.365 115.700 -0.209 0.000 2.607 410 S HA 0.891 5.362 4.470 0.002 0.000 0.303 410 S C -1.041 173.470 174.600 -0.149 0.000 1.086 410 S CA -0.844 57.273 58.200 -0.138 0.000 0.995 410 S CB 1.154 64.290 63.200 -0.106 0.000 1.084 410 S HN 0.662 nan 8.310 nan 0.000 0.507 411 L N 1.225 122.387 121.223 -0.102 0.000 2.341 411 L HA 0.564 4.905 4.340 0.002 0.000 0.267 411 L C 0.141 176.972 176.870 -0.066 0.000 1.009 411 L CA -0.905 53.883 54.840 -0.088 0.000 0.819 411 L CB 2.292 44.311 42.059 -0.066 0.000 1.323 411 L HN 0.673 nan 8.230 nan 0.000 0.425 412 S N 0.665 116.330 115.700 -0.059 0.000 2.603 412 S HA 0.499 4.970 4.470 0.002 0.000 0.268 412 S C 0.243 174.822 174.600 -0.036 0.000 1.317 412 S CA -0.626 57.547 58.200 -0.045 0.000 1.012 412 S CB 1.432 64.608 63.200 -0.042 0.000 0.926 412 S HN 0.667 nan 8.310 nan 0.000 0.539 413 A N 1.510 124.312 122.820 -0.030 0.000 2.406 413 A HA 0.551 4.872 4.320 0.002 0.000 0.243 413 A C 0.361 177.932 177.584 -0.021 0.000 1.082 413 A CA -0.172 51.851 52.037 -0.024 0.000 0.786 413 A CB 0.247 19.234 19.000 -0.021 0.000 1.029 413 A HN 0.663 nan 8.150 nan 0.000 0.495 414 S N -0.673 115.016 115.700 -0.017 0.000 2.543 414 S HA 0.388 4.859 4.470 0.002 0.000 0.271 414 S C -0.254 174.339 174.600 -0.012 0.000 1.148 414 S CA -0.653 57.538 58.200 -0.014 0.000 0.914 414 S CB 1.270 64.461 63.200 -0.014 0.000 1.096 414 S HN 0.639 nan 8.310 nan 0.000 0.471 415 D N 1.806 122.200 120.400 -0.010 0.000 2.183 415 D HA 0.122 4.763 4.640 0.002 0.000 0.205 415 D C 0.230 176.526 176.300 -0.007 0.000 0.962 415 D CA 0.944 54.939 54.000 -0.008 0.000 0.849 415 D CB 0.297 41.093 40.800 -0.008 0.000 0.978 415 D HN 0.313 nan 8.370 nan 0.000 0.488 416 K N 1.005 121.401 120.400 -0.007 0.000 2.258 416 K HA 0.262 4.583 4.320 0.002 0.000 0.236 416 K C 0.017 176.613 176.600 -0.006 0.000 1.008 416 K CA -0.630 55.653 56.287 -0.006 0.000 0.869 416 K CB 1.675 34.172 32.500 -0.005 0.000 1.171 416 K HN -0.062 nan 8.250 nan 0.000 0.447 417 E N 1.287 121.484 120.200 -0.005 0.000 2.415 417 E HA -0.058 4.293 4.350 0.002 0.000 0.262 417 E C -0.701 175.896 176.600 -0.005 0.000 1.038 417 E CA 0.519 56.916 56.400 -0.005 0.000 0.921 417 E CB 0.634 30.332 29.700 -0.004 0.000 0.950 417 E HN 0.247 nan 8.360 nan 0.000 0.438 418 Q N 0.895 120.691 119.800 -0.006 0.000 2.528 418 Q HA 0.424 4.765 4.340 0.002 0.000 0.289 418 Q C -1.248 174.749 176.000 -0.005 0.000 1.091 418 Q CA -0.951 54.849 55.803 -0.005 0.000 0.797 418 Q CB 2.343 31.077 28.738 -0.007 0.000 1.466 418 Q HN 0.693 nan 8.270 nan 0.000 0.436 419 T N -1.316 113.236 114.554 -0.004 0.000 2.876 419 T HA 0.684 5.035 4.350 0.002 0.000 0.289 419 T C -1.175 173.525 174.700 -0.001 0.000 1.014 419 T CA -0.746 61.352 62.100 -0.004 0.000 0.986 419 T CB 1.154 70.019 68.868 -0.004 0.000 1.021 419 T HN 0.335 nan 8.240 nan 0.000 0.458 420 L N 2.684 123.906 121.223 -0.002 0.000 2.322 420 L HA 0.751 5.092 4.340 0.002 0.000 0.281 420 L C -1.273 175.595 176.870 -0.004 0.000 1.014 420 L CA -1.046 53.797 54.840 0.006 0.000 0.815 420 L CB 1.530 43.597 42.059 0.014 0.000 1.247 420 L HN 0.768 nan 8.230 nan 0.000 0.421 421 L N 6.501 127.722 121.223 -0.003 0.000 2.316 421 L HA 0.567 4.908 4.340 0.002 0.000 0.280 421 L C -0.939 175.914 176.870 -0.029 0.000 1.006 421 L CA -0.027 54.803 54.840 -0.016 0.000 0.836 421 L CB 1.072 43.124 42.059 -0.012 0.000 1.221 421 L HN 0.483 nan 8.230 nan 0.000 0.418 422 I N 4.557 125.096 120.570 -0.052 0.000 2.297 422 I HA 0.191 4.362 4.170 0.002 0.000 0.291 422 I C 0.153 176.209 176.117 -0.102 0.000 1.033 422 I CA -0.166 61.077 61.300 -0.094 0.000 1.253 422 I CB 1.053 38.981 38.000 -0.119 0.000 1.396 422 I HN 0.541 nan 8.210 nan 0.000 0.476 423 T N 6.987 121.471 114.554 -0.116 0.000 2.992 423 T HA 0.142 4.493 4.350 0.002 0.000 0.299 423 T C -0.185 174.422 174.700 -0.155 0.000 1.027 423 T CA -0.109 61.926 62.100 -0.107 0.000 1.001 423 T CB -0.528 68.288 68.868 -0.086 0.000 1.005 423 T HN 0.600 nan 8.240 nan 0.000 0.599 424 E N 0.811 120.935 120.200 -0.127 0.000 5.278 424 E HA -0.128 4.223 4.350 0.002 0.000 0.173 424 E C -0.241 176.245 176.600 -0.190 0.000 1.365 424 E CA -0.094 56.221 56.400 -0.143 0.000 1.205 424 E CB -1.121 28.443 29.700 -0.228 0.000 1.015 424 E HN 0.732 nan 8.360 nan 0.000 0.350 425 A N 3.616 126.392 122.820 -0.072 0.000 2.544 425 A HA 0.200 4.521 4.320 0.002 0.000 0.301 425 A C -0.188 177.447 177.584 0.086 0.000 1.368 425 A CA -0.160 51.844 52.037 -0.055 0.000 1.045 425 A CB -0.048 18.912 19.000 -0.067 0.000 1.129 425 A HN 0.383 nan 8.150 nan 0.000 0.540 426 H N 2.814 121.848 119.070 -0.061 0.000 3.160 426 H HA 0.300 4.857 4.556 0.002 0.000 0.257 426 H C 0.200 175.465 175.328 -0.105 0.000 1.140 426 H CA 0.654 56.645 56.048 -0.094 0.000 1.492 426 H CB 0.315 30.053 29.762 -0.040 0.000 1.529 426 H HN 0.975 nan 8.280 nan 0.000 0.490 427 D N 1.364 121.704 120.400 -0.100 0.000 4.143 427 D HA -0.207 4.434 4.640 0.002 0.000 0.185 427 D C -0.563 175.831 176.300 0.158 0.000 0.811 427 D CA 1.065 55.020 54.000 -0.075 0.000 2.054 427 D CB -1.104 39.695 40.800 -0.002 0.000 1.138 427 D HN 0.524 nan 8.370 nan 0.000 0.498 428 W N 2.276 123.529 121.300 -0.077 0.000 2.802 428 W HA 0.719 5.380 4.660 0.002 0.000 0.331 428 W C -1.375 175.102 176.519 -0.071 0.000 1.021 428 W CA -0.030 57.258 57.345 -0.095 0.000 1.259 428 W CB 1.237 30.558 29.460 -0.231 0.000 1.323 428 W HN 0.469 nan 8.180 nan 0.000 0.432 429 A N 4.416 127.013 122.820 -0.371 0.000 2.355 429 A HA 0.820 5.141 4.320 0.002 0.000 0.324 429 A C -1.104 176.119 177.584 -0.601 0.000 1.117 429 A CA -0.678 51.154 52.037 -0.343 0.000 0.785 429 A CB 1.727 20.625 19.000 -0.171 0.000 1.254 429 A HN 0.599 nan 8.150 nan 0.000 0.453 430 Q N 0.464 120.026 119.800 -0.396 0.000 2.340 430 Q HA 0.579 4.920 4.340 0.002 0.000 0.268 430 Q C -1.390 174.363 176.000 -0.411 0.000 1.031 430 Q CA -0.677 54.820 55.803 -0.510 0.000 0.804 430 Q CB 2.575 31.082 28.738 -0.385 0.000 1.286 430 Q HN 0.515 nan 8.270 nan 0.000 0.448 431 V N 3.613 123.195 119.914 -0.552 0.000 2.417 431 V HA 0.547 4.668 4.120 0.002 0.000 0.291 431 V C -0.910 174.906 176.094 -0.463 0.000 1.024 431 V CA -0.586 61.530 62.300 -0.306 0.000 0.861 431 V CB 0.635 32.360 31.823 -0.164 0.000 0.985 431 V HN 0.562 nan 8.190 nan 0.000 0.436 432 F N 4.502 124.471 119.950 0.032 0.000 2.546 432 F HA 0.729 5.257 4.527 0.002 0.000 0.320 432 F C -0.399 175.386 175.800 -0.025 0.000 1.076 432 F CA -1.040 56.968 58.000 0.013 0.000 0.928 432 F CB 1.884 40.898 39.000 0.023 0.000 1.189 432 F HN 0.288 nan 8.300 nan 0.000 0.465 433 L N 3.848 125.165 121.223 0.158 0.000 2.342 433 L HA 0.510 4.851 4.340 0.002 0.000 0.276 433 L C -0.165 176.732 176.870 0.045 0.000 0.997 433 L CA -0.390 54.490 54.840 0.066 0.000 0.838 433 L CB 0.479 42.560 42.059 0.037 0.000 1.224 433 L HN 0.627 nan 8.230 nan 0.000 0.416 434 N N 4.274 122.971 118.700 -0.005 0.000 2.721 434 N HA -0.221 4.520 4.740 0.002 0.000 0.249 434 N C 1.006 176.494 175.510 -0.038 0.000 1.072 434 N CA 1.349 54.377 53.050 -0.038 0.000 0.710 434 N CB -1.159 37.317 38.487 -0.019 0.000 0.993 434 N HN 1.205 nan 8.380 nan 0.000 0.547 435 G N -0.882 107.883 108.800 -0.059 0.000 2.241 435 G HA2 -0.366 3.595 3.960 0.002 0.000 0.244 435 G HA3 -0.366 3.595 3.960 0.002 0.000 0.244 435 G C 0.001 175.005 174.900 0.173 0.000 0.998 435 G CA 0.690 45.758 45.100 -0.053 0.000 0.621 435 G HN 0.645 nan 8.290 nan 0.000 0.519 436 K N 1.353 121.871 120.400 0.197 0.000 2.248 436 K HA 0.437 4.758 4.320 0.002 0.000 0.281 436 K C 0.467 177.242 176.600 0.292 0.000 1.054 436 K CA -0.655 55.768 56.287 0.226 0.000 0.903 436 K CB 0.468 33.035 32.500 0.112 0.000 1.077 436 K HN 0.180 nan 8.250 nan 0.000 0.474 437 K N 5.312 125.900 120.400 0.314 0.000 2.447 437 K HA -0.013 4.308 4.320 0.002 0.000 0.281 437 K C 0.533 177.072 176.600 -0.102 0.000 1.031 437 K CA -0.176 56.073 56.287 -0.064 0.000 1.019 437 K CB 0.530 32.976 32.500 -0.090 0.000 0.918 437 K HN 0.629 nan 8.250 nan 0.000 0.476 438 L N 2.453 123.560 121.223 -0.194 0.000 2.388 438 L HA 0.274 4.615 4.340 0.002 0.000 0.209 438 L C 0.551 177.334 176.870 -0.145 0.000 1.061 438 L CA 0.697 55.465 54.840 -0.119 0.000 0.834 438 L CB 0.028 42.035 42.059 -0.087 0.000 1.029 438 L HN 0.822 nan 8.230 nan 0.000 0.473 439 A N -1.138 121.543 122.820 -0.232 0.000 2.586 439 A HA 0.647 4.968 4.320 0.002 0.000 0.290 439 A C -1.011 176.385 177.584 -0.314 0.000 1.086 439 A CA -0.266 51.644 52.037 -0.212 0.000 0.665 439 A CB 1.342 20.249 19.000 -0.155 0.000 1.279 439 A HN -0.038 nan 8.150 nan 0.000 0.423 440 T N 1.821 116.204 114.554 -0.284 0.000 2.881 440 T HA 0.561 4.913 4.350 0.002 0.000 0.291 440 T C -1.190 173.302 174.700 -0.347 0.000 0.990 440 T CA -0.379 61.460 62.100 -0.436 0.000 0.976 440 T CB 0.796 69.441 68.868 -0.372 0.000 0.970 440 T HN 0.432 nan 8.240 nan 0.000 0.438 441 L N 2.912 123.884 121.223 -0.418 0.000 2.305 441 L HA 0.630 4.971 4.340 0.002 0.000 0.284 441 L C 0.371 177.106 176.870 -0.226 0.000 1.013 441 L CA -0.507 54.188 54.840 -0.241 0.000 0.819 441 L CB 1.382 43.336 42.059 -0.175 0.000 1.227 441 L HN 0.634 nan 8.230 nan 0.000 0.417 442 S N 3.162 118.845 115.700 -0.028 0.000 2.449 442 S HA 0.357 4.828 4.470 0.002 0.000 0.310 442 S C 1.037 175.732 174.600 0.158 0.000 1.096 442 S CA -0.617 57.689 58.200 0.176 0.000 1.095 442 S CB 1.373 64.790 63.200 0.362 0.000 1.007 442 S HN 0.738 nan 8.310 nan 0.000 0.474 443 R N 3.142 123.743 120.500 0.168 0.000 2.189 443 R HA -0.015 4.326 4.340 0.002 0.000 0.223 443 R C 1.098 177.544 176.300 0.242 0.000 1.092 443 R CA 1.123 57.283 56.100 0.101 0.000 0.989 443 R CB -0.318 29.880 30.300 -0.170 0.000 0.876 443 R HN 0.689 nan 8.270 nan 0.000 0.457 444 L N 0.841 122.268 121.223 0.339 0.000 2.127 444 L HA -0.154 4.187 4.340 0.002 0.000 0.211 444 L C 1.831 178.814 176.870 0.188 0.000 1.089 444 L CA 1.799 56.812 54.840 0.288 0.000 0.757 444 L CB -0.111 41.930 42.059 -0.030 0.000 0.899 444 L HN 0.053 nan 8.230 nan 0.000 0.434 445 K N -1.244 119.236 120.400 0.133 0.000 2.358 445 K HA 0.282 4.604 4.320 0.002 0.000 0.200 445 K C 0.880 177.544 176.600 0.106 0.000 1.030 445 K CA 0.541 56.892 56.287 0.106 0.000 1.097 445 K CB 0.556 33.092 32.500 0.060 0.000 0.862 445 K HN 0.263 nan 8.250 nan 0.000 0.534 446 G N 2.950 111.819 108.800 0.115 0.000 2.273 446 G HA2 -0.277 3.684 3.960 0.002 0.000 0.280 446 G HA3 -0.277 3.684 3.960 0.002 0.000 0.280 446 G C -0.496 174.441 174.900 0.060 0.000 1.047 446 G CA 0.297 45.452 45.100 0.093 0.000 0.869 446 G HN 0.389 nan 8.290 nan 0.000 0.502 447 E N -1.067 119.160 120.200 0.044 0.000 2.349 447 E HA 0.588 4.939 4.350 0.002 0.000 0.265 447 E C 1.204 177.800 176.600 -0.007 0.000 1.064 447 E CA -0.009 56.400 56.400 0.015 0.000 0.886 447 E CB 1.305 31.006 29.700 -0.000 0.000 1.036 447 E HN 0.514 nan 8.360 nan 0.000 0.413 448 G N 0.876 109.665 108.800 -0.018 0.000 3.668 448 G HA2 0.024 3.985 3.960 0.002 0.000 0.185 448 G HA3 0.024 3.985 3.960 0.002 0.000 0.185 448 G C -0.626 174.252 174.900 -0.037 0.000 1.159 448 G CA -0.149 44.930 45.100 -0.034 0.000 0.875 448 G HN 0.394 nan 8.290 nan 0.000 0.689 449 V N 1.671 121.568 119.914 -0.028 0.000 2.472 449 V HA 0.771 4.892 4.120 0.002 0.000 0.290 449 V C -0.681 175.392 176.094 -0.034 0.000 1.037 449 V CA -0.504 61.780 62.300 -0.025 0.000 0.908 449 V CB 1.806 33.621 31.823 -0.013 0.000 0.985 449 V HN 0.035 nan 8.190 nan 0.000 0.454 450 V N 6.320 126.215 119.914 -0.032 0.000 2.709 450 V HA 0.495 4.617 4.120 0.002 0.000 0.308 450 V C -0.366 175.713 176.094 -0.024 0.000 1.062 450 V CA -1.106 61.171 62.300 -0.038 0.000 0.901 450 V CB 2.076 33.870 31.823 -0.049 0.000 1.003 450 V HN 0.838 nan 8.190 nan 0.000 0.425 451 K N 4.354 124.739 120.400 -0.024 0.000 2.248 451 K HA 0.616 4.937 4.320 0.002 0.000 0.281 451 K C -1.098 175.493 176.600 -0.015 0.000 1.054 451 K CA -0.287 55.990 56.287 -0.016 0.000 0.903 451 K CB 1.102 33.593 32.500 -0.014 0.000 1.077 451 K HN 0.482 nan 8.250 nan 0.000 0.474 452 L N 5.884 127.101 121.223 -0.010 0.000 2.309 452 L HA 0.457 4.799 4.340 0.002 0.000 0.282 452 L C -1.891 174.975 176.870 -0.007 0.000 1.036 452 L CA -2.091 52.744 54.840 -0.008 0.000 0.806 452 L CB 1.390 43.445 42.059 -0.006 0.000 1.220 452 L HN 0.464 nan 8.230 nan 0.000 0.429 453 P HA 0.349 nan 4.420 nan 0.000 0.284 453 P C -2.730 174.566 177.300 -0.006 0.000 1.292 453 P CA -2.153 60.944 63.100 -0.004 0.000 0.800 453 P CB -0.005 31.694 31.700 -0.002 0.000 1.188 454 P HA 0.088 nan 4.420 nan 0.000 0.264 454 P C -0.493 176.801 177.300 -0.009 0.000 1.183 454 P CA 0.935 64.030 63.100 -0.007 0.000 0.763 454 P CB 0.149 31.845 31.700 -0.006 0.000 0.807 455 L N 3.200 124.416 121.223 -0.012 0.000 2.330 455 L HA 0.507 4.849 4.340 0.002 0.000 0.271 455 L C 0.600 177.460 176.870 -0.016 0.000 1.013 455 L CA -1.079 53.752 54.840 -0.015 0.000 0.816 455 L CB 1.281 43.328 42.059 -0.019 0.000 1.287 455 L HN 0.157 nan 8.230 nan 0.000 0.435 456 K N 1.017 121.406 120.400 -0.018 0.000 2.118 456 K HA 0.309 4.630 4.320 0.002 0.000 0.254 456 K C -0.527 176.058 176.600 -0.025 0.000 0.961 456 K CA -0.972 55.304 56.287 -0.019 0.000 0.876 456 K CB 1.767 34.256 32.500 -0.018 0.000 1.077 456 K HN 0.426 nan 8.250 nan 0.000 0.440 457 E N 0.281 120.466 120.200 -0.025 0.000 2.529 457 E HA 0.086 4.437 4.350 0.002 0.000 0.259 457 E C 0.835 177.415 176.600 -0.034 0.000 0.966 457 E CA 1.565 57.946 56.400 -0.030 0.000 0.937 457 E CB -0.124 29.560 29.700 -0.028 0.000 0.923 457 E HN 0.752 nan 8.360 nan 0.000 0.468 458 G N 3.707 112.482 108.800 -0.042 0.000 2.199 458 G HA2 -0.287 3.674 3.960 0.002 0.000 0.254 458 G HA3 -0.287 3.674 3.960 0.002 0.000 0.254 458 G C -0.174 174.697 174.900 -0.048 0.000 0.982 458 G CA 0.026 45.097 45.100 -0.047 0.000 0.632 458 G HN 0.679 nan 8.290 nan 0.000 0.529 459 D N 0.296 120.671 120.400 -0.042 0.000 2.571 459 D HA 0.240 4.881 4.640 0.002 0.000 0.231 459 D C 0.963 177.235 176.300 -0.046 0.000 1.133 459 D CA 0.392 54.369 54.000 -0.038 0.000 0.862 459 D CB 0.372 41.155 40.800 -0.029 0.000 1.179 459 D HN 0.516 nan 8.370 nan 0.000 0.474 460 R N 2.242 122.713 120.500 -0.047 0.000 2.234 460 R HA 0.336 4.677 4.340 0.002 0.000 0.324 460 R C -0.947 175.334 176.300 -0.031 0.000 1.054 460 R CA -0.742 55.326 56.100 -0.054 0.000 0.912 460 R CB 0.344 30.596 30.300 -0.081 0.000 1.030 460 R HN 0.274 nan 8.270 nan 0.000 0.455 461 L N 4.805 126.021 121.223 -0.012 0.000 2.280 461 L HA 0.390 4.731 4.340 0.002 0.000 0.287 461 L C -1.325 175.618 176.870 0.122 0.000 1.023 461 L CA -0.078 54.792 54.840 0.051 0.000 0.819 461 L CB 1.491 43.579 42.059 0.048 0.000 1.212 461 L HN 0.608 nan 8.230 nan 0.000 0.420 462 D N 6.373 126.862 120.400 0.148 0.000 2.391 462 D HA 0.434 5.075 4.640 0.002 0.000 0.245 462 D C -0.537 175.966 176.300 0.338 0.000 1.069 462 D CA 0.131 54.255 54.000 0.207 0.000 0.831 462 D CB 2.138 42.934 40.800 -0.007 0.000 1.204 462 D HN 0.438 nan 8.370 nan 0.000 0.503 463 I N 3.119 123.893 120.570 0.340 0.000 2.464 463 I HA 0.132 4.303 4.170 0.002 0.000 0.277 463 I C -0.581 175.719 176.117 0.306 0.000 1.040 463 I CA -0.827 60.631 61.300 0.264 0.000 1.153 463 I CB 1.472 39.565 38.000 0.156 0.000 1.274 463 I HN 0.036 nan 8.210 nan 0.000 0.469 464 L N 8.663 130.085 121.223 0.331 0.000 2.261 464 L HA 0.423 4.764 4.340 0.002 0.000 0.289 464 L C -0.481 176.498 176.870 0.182 0.000 1.059 464 L CA -0.064 54.953 54.840 0.295 0.000 0.816 464 L CB 1.045 43.335 42.059 0.385 0.000 1.191 464 L HN 0.253 nan 8.230 nan 0.000 0.431 465 V N 5.508 125.529 119.914 0.178 0.000 2.347 465 V HA 0.353 4.474 4.120 0.002 0.000 0.280 465 V C 0.168 176.340 176.094 0.131 0.000 1.021 465 V CA -0.692 61.692 62.300 0.139 0.000 0.847 465 V CB 1.222 33.143 31.823 0.164 0.000 0.990 465 V HN 0.748 nan 8.190 nan 0.000 0.444 466 E N 3.796 124.087 120.200 0.153 0.000 2.200 466 E HA 0.638 4.989 4.350 0.002 0.000 0.283 466 E C -0.043 176.605 176.600 0.081 0.000 1.015 466 E CA -0.374 56.089 56.400 0.104 0.000 0.819 466 E CB 1.552 31.313 29.700 0.101 0.000 1.081 466 E HN 0.814 nan 8.360 nan 0.000 0.397 473 F N 1.460 121.510 119.950 0.167 0.000 2.576 473 F HA 0.741 5.269 4.527 0.002 0.000 0.313 473 F C 1.199 176.984 175.800 -0.026 0.000 1.078 473 F CA 0.867 58.976 58.000 0.182 0.000 0.921 473 F CB 1.554 40.703 39.000 0.247 0.000 1.232 473 F HN 0.297 nan 8.300 nan 0.000 0.459 474 G N 4.932 113.130 108.800 -1.003 0.000 2.582 474 G HA2 -0.319 3.642 3.960 0.002 0.000 0.288 474 G HA3 -0.319 3.642 3.960 0.002 0.000 0.288 474 G C 0.542 175.142 174.900 -0.499 0.000 1.247 474 G CA 0.371 45.055 45.100 -0.693 0.000 0.972 474 G HN 0.687 nan 8.290 nan 0.000 0.557 475 K N 1.955 121.951 120.400 -0.674 0.000 2.525 475 K HA 0.054 4.375 4.320 0.002 0.000 0.192 475 K C 2.496 178.783 176.600 -0.522 0.000 1.029 475 K CA 1.224 57.293 56.287 -0.362 0.000 1.029 475 K CB -0.650 31.759 32.500 -0.152 0.000 0.814 475 K HN 0.661 nan 8.250 nan 0.000 0.503 476 G N 1.961 110.082 108.800 -1.132 0.000 2.470 476 G HA2 -0.197 3.764 3.960 0.002 0.000 0.220 476 G HA3 -0.197 3.764 3.960 0.002 0.000 0.220 476 G C 1.506 176.329 174.900 -0.128 0.000 1.121 476 G CA 0.415 45.225 45.100 -0.484 0.000 0.766 476 G HN 0.476 nan 8.290 nan 0.000 0.553 477 I N -2.966 117.466 120.570 -0.229 0.000 2.567 477 I HA -0.018 4.153 4.170 0.002 0.000 0.257 477 I C 0.683 176.577 176.117 -0.371 0.000 1.184 477 I CA 0.498 61.638 61.300 -0.268 0.000 1.451 477 I CB -0.395 37.360 38.000 -0.407 0.000 1.089 477 I HN -0.009 nan 8.210 nan 0.000 0.441 478 Y N 2.709 122.868 120.300 -0.234 0.000 2.667 478 Y HA 0.317 4.868 4.550 0.002 0.000 0.340 478 Y C -0.253 175.477 175.900 -0.285 0.000 1.303 478 Y CA -0.466 57.401 58.100 -0.389 0.000 1.769 478 Y CB -0.479 37.903 38.460 -0.130 0.000 1.804 478 Y HN 0.117 nan 8.280 nan 0.000 0.451 479 D N 1.701 121.967 120.400 -0.223 0.000 2.438 479 D HA 0.117 4.758 4.640 0.002 0.000 0.257 479 D C -0.987 175.325 176.300 0.021 0.000 1.148 479 D CA -0.329 53.695 54.000 0.040 0.000 0.902 479 D CB 0.354 41.218 40.800 0.106 0.000 1.062 479 D HN 0.265 nan 8.370 nan 0.000 0.518 480 W N 3.866 125.310 121.300 0.240 0.000 2.272 480 W HA 0.276 4.937 4.660 0.002 0.000 0.318 480 W C 0.667 177.321 176.519 0.226 0.000 1.255 480 W CA -0.624 56.834 57.345 0.187 0.000 1.200 480 W CB 1.154 30.689 29.460 0.125 0.000 1.170 480 W HN 0.066 nan 8.180 nan 0.000 0.549 481 K N 1.096 121.699 120.400 0.338 0.000 2.210 481 K HA 0.707 5.028 4.320 0.002 0.000 0.236 481 K C 0.580 177.309 176.600 0.215 0.000 1.016 481 K CA -0.285 56.156 56.287 0.257 0.000 0.913 481 K CB 1.068 33.658 32.500 0.150 0.000 1.141 481 K HN 0.692 nan 8.250 nan 0.000 0.462 482 G N 0.354 109.266 108.800 0.187 0.000 2.484 482 G HA2 -0.223 3.738 3.960 0.002 0.000 0.225 482 G HA3 -0.223 3.738 3.960 0.002 0.000 0.225 482 G C -0.663 174.270 174.900 0.056 0.000 1.250 482 G CA -0.605 44.629 45.100 0.224 0.000 0.926 482 G HN 0.451 nan 8.290 nan 0.000 0.581 483 I N 2.278 122.784 120.570 -0.106 0.000 2.304 483 I HA 0.302 4.473 4.170 0.002 0.000 0.291 483 I C 2.008 177.969 176.117 -0.260 0.000 1.018 483 I CA 0.259 61.335 61.300 -0.373 0.000 1.260 483 I CB 1.659 39.163 38.000 -0.827 0.000 1.390 483 I HN 0.866 nan 8.210 nan 0.000 0.475 484 T N 0.723 115.103 114.554 -0.290 0.000 2.942 484 T HA -0.037 4.314 4.350 0.002 0.000 0.265 484 T C 1.178 175.734 174.700 -0.240 0.000 1.062 484 T CA 1.022 62.964 62.100 -0.263 0.000 1.139 484 T CB 0.288 68.931 68.868 -0.376 0.000 0.883 484 T HN 0.688 nan 8.240 nan 0.000 0.468 485 E N 0.704 120.766 120.200 -0.230 0.000 2.713 485 E HA 0.213 4.564 4.350 0.002 0.000 0.201 485 E C -0.040 176.468 176.600 -0.155 0.000 0.935 485 E CA 0.052 56.344 56.400 -0.181 0.000 1.273 485 E CB 0.872 30.480 29.700 -0.152 0.000 1.221 485 E HN 0.632 nan 8.360 nan 0.000 0.547 486 K N -0.957 119.345 120.400 -0.162 0.000 2.735 486 K HA 0.447 4.769 4.320 0.002 0.000 0.295 486 K C -1.526 175.003 176.600 -0.119 0.000 1.052 486 K CA -0.818 55.399 56.287 -0.118 0.000 0.853 486 K CB 1.734 34.202 32.500 -0.054 0.000 1.535 486 K HN -0.096 nan 8.250 nan 0.000 0.383 487 V N 0.969 120.866 119.914 -0.028 0.000 2.577 487 V HA 0.402 4.523 4.120 0.002 0.000 0.303 487 V C -1.074 175.069 176.094 0.081 0.000 1.042 487 V CA -0.605 61.712 62.300 0.029 0.000 0.872 487 V CB 1.565 33.478 31.823 0.149 0.000 0.998 487 V HN 0.751 nan 8.190 nan 0.000 0.423 488 E N 3.182 123.407 120.200 0.043 0.000 2.238 488 E HA 0.647 4.998 4.350 0.002 0.000 0.267 488 E C -1.456 175.162 176.600 0.031 0.000 0.887 488 E CA -0.937 55.484 56.400 0.036 0.000 0.769 488 E CB 2.943 32.651 29.700 0.013 0.000 1.187 488 E HN 0.444 nan 8.360 nan 0.000 0.416 489 L N 2.417 123.654 121.223 0.024 0.000 2.333 489 L HA 0.310 4.651 4.340 0.002 0.000 0.280 489 L C -1.085 175.788 176.870 0.004 0.000 1.004 489 L CA -0.164 54.684 54.840 0.013 0.000 0.820 489 L CB 1.550 43.613 42.059 0.007 0.000 1.247 489 L HN 0.519 nan 8.230 nan 0.000 0.416 490 Q N 3.304 123.105 119.800 0.002 0.000 2.316 490 Q HA 0.750 5.091 4.340 0.002 0.000 0.264 490 Q C -1.143 174.855 176.000 -0.003 0.000 0.987 490 Q CA -0.464 55.338 55.803 -0.001 0.000 0.852 490 Q CB 1.593 30.330 28.738 -0.001 0.000 1.287 490 Q HN 0.875 nan 8.270 nan 0.000 0.448 491 S N 1.421 117.119 115.700 -0.004 0.000 2.851 491 S HA 0.285 4.756 4.470 0.002 0.000 0.317 491 S C 0.382 174.979 174.600 -0.005 0.000 1.144 491 S CA -0.221 57.975 58.200 -0.006 0.000 0.862 491 S CB 0.782 63.978 63.200 -0.008 0.000 1.259 491 S HN 0.802 nan 8.310 nan 0.000 0.564 492 D N 0.003 120.399 120.400 -0.005 0.000 2.350 492 D HA -0.072 4.569 4.640 0.002 0.000 0.216 492 D C 0.824 177.121 176.300 -0.005 0.000 0.968 492 D CA 0.679 54.677 54.000 -0.005 0.000 0.894 492 D CB -0.200 40.597 40.800 -0.005 0.000 0.909 492 D HN 0.575 nan 8.370 nan 0.000 0.520 493 K N 0.064 120.460 120.400 -0.006 0.000 2.358 493 K HA 0.374 4.695 4.320 0.002 0.000 0.197 493 K C 0.914 177.510 176.600 -0.005 0.000 1.025 493 K CA 0.280 56.564 56.287 -0.006 0.000 1.104 493 K CB 1.219 33.714 32.500 -0.008 0.000 0.855 493 K HN 0.267 nan 8.250 nan 0.000 0.531 494 G N 0.405 109.202 108.800 -0.005 0.000 2.352 494 G HA2 -0.143 3.819 3.960 0.002 0.000 0.324 494 G HA3 -0.143 3.819 3.960 0.002 0.000 0.324 494 G C -1.414 173.484 174.900 -0.003 0.000 1.249 494 G CA -1.003 44.095 45.100 -0.004 0.000 1.053 494 G HN -0.093 nan 8.290 nan 0.000 0.492 495 V N 1.649 121.562 119.914 -0.002 0.000 2.513 495 V HA 0.730 4.851 4.120 0.002 0.000 0.299 495 V C 0.217 176.311 176.094 0.000 0.000 1.035 495 V CA 0.223 62.523 62.300 -0.001 0.000 0.889 495 V CB 1.352 33.175 31.823 -0.000 0.000 0.988 495 V HN 1.109 nan 8.190 nan 0.000 0.440 496 E N 4.365 124.567 120.200 0.003 0.000 2.393 496 E HA 0.675 5.026 4.350 0.002 0.000 0.273 496 E C -1.562 175.047 176.600 0.015 0.000 0.918 496 E CA -1.052 55.351 56.400 0.004 0.000 0.773 496 E CB 2.182 31.881 29.700 -0.002 0.000 1.275 496 E HN 0.401 nan 8.360 nan 0.000 0.451 497 L N 1.283 122.519 121.223 0.022 0.000 2.417 497 L HA 0.281 4.622 4.340 0.002 0.000 0.268 497 L C -0.349 176.555 176.870 0.057 0.000 1.158 497 L CA -0.856 54.012 54.840 0.048 0.000 0.819 497 L CB 1.230 43.319 42.059 0.051 0.000 1.112 497 L HN 0.401 nan 8.230 nan 0.000 0.458 498 V N 3.636 123.620 119.914 0.117 0.000 2.364 498 V HA 0.342 4.463 4.120 0.002 0.000 0.272 498 V C 0.226 176.415 176.094 0.158 0.000 1.036 498 V CA -0.592 61.759 62.300 0.085 0.000 0.880 498 V CB 0.908 32.825 31.823 0.156 0.000 0.991 498 V HN 0.696 nan 8.190 nan 0.000 0.460 499 K N 2.151 122.512 120.400 -0.065 0.000 2.279 499 K HA 0.528 4.849 4.320 0.002 0.000 0.238 499 K C -1.076 175.276 176.600 -0.414 0.000 1.084 499 K CA -0.968 55.288 56.287 -0.050 0.000 0.885 499 K CB 1.259 33.778 32.500 0.031 0.000 1.319 499 K HN 0.665 nan 8.250 nan 0.000 0.494 500 D N 0.327 120.606 120.400 -0.201 0.000 4.161 500 D HA -0.141 4.500 4.640 0.002 0.000 0.246 500 D C -1.502 174.576 176.300 -0.369 0.000 1.064 500 D CA 0.968 54.850 54.000 -0.196 0.000 1.187 500 D CB -0.783 39.902 40.800 -0.193 0.000 0.871 500 D HN 0.342 nan 8.370 nan 0.000 0.413 501 W N 0.945 122.267 121.300 0.038 0.000 2.689 501 W HA 0.415 5.076 4.660 0.002 0.000 0.340 501 W C 0.699 177.191 176.519 -0.045 0.000 1.060 501 W CA -0.740 56.626 57.345 0.035 0.000 1.218 501 W CB 0.997 30.524 29.460 0.112 0.000 1.410 501 W HN -0.041 nan 8.180 nan 0.000 0.528 502 Q N 1.942 121.846 119.800 0.172 0.000 2.372 502 Q HA 0.443 4.784 4.340 0.002 0.000 0.259 502 Q C -0.927 174.929 176.000 -0.241 0.000 0.993 502 Q CA -0.683 55.063 55.803 -0.095 0.000 0.854 502 Q CB 1.944 30.662 28.738 -0.033 0.000 1.231 502 Q HN 0.231 nan 8.270 nan 0.000 0.462 503 V N 3.895 123.501 119.914 -0.514 0.000 2.370 503 V HA 0.306 4.427 4.120 0.002 0.000 0.283 503 V C -0.982 174.650 176.094 -0.770 0.000 1.023 503 V CA -0.683 61.193 62.300 -0.707 0.000 0.857 503 V CB 0.341 31.460 31.823 -1.174 0.000 0.985 503 V HN 0.612 nan 8.190 nan 0.000 0.443 504 Y N 2.403 122.513 120.300 -0.316 0.000 2.356 504 Y HA 0.450 5.001 4.550 0.002 0.000 0.334 504 Y C 0.986 176.748 175.900 -0.230 0.000 0.958 504 Y CA -0.875 57.110 58.100 -0.191 0.000 1.196 504 Y CB 1.576 40.001 38.460 -0.059 0.000 1.137 504 Y HN 0.685 nan 8.280 nan 0.000 0.485 505 T N 2.072 116.552 114.554 -0.125 0.000 2.729 505 T HA 0.446 4.797 4.350 0.002 0.000 0.296 505 T C -0.191 174.385 174.700 -0.206 0.000 0.928 505 T CA -0.669 61.327 62.100 -0.173 0.000 1.045 505 T CB 0.253 69.012 68.868 -0.182 0.000 0.902 505 T HN 0.346 nan 8.240 nan 0.000 0.500 506 I N 6.554 127.000 120.570 -0.206 0.000 2.310 506 I HA 0.320 4.491 4.170 0.002 0.000 0.287 506 I C -1.953 173.950 176.117 -0.356 0.000 1.073 506 I CA -3.297 57.811 61.300 -0.319 0.000 1.216 506 I CB 0.251 38.215 38.000 -0.060 0.000 1.415 506 I HN 0.487 nan 8.210 nan 0.000 0.480 507 P HA 0.073 nan 4.420 nan 0.000 0.272 507 P C 0.938 178.157 177.300 -0.135 0.000 1.240 507 P CA -0.072 62.823 63.100 -0.341 0.000 0.791 507 P CB 1.726 33.201 31.700 -0.375 0.000 0.978 508 V N -2.967 116.939 119.914 -0.013 0.000 3.406 508 V HA 0.072 4.193 4.120 0.002 0.000 0.263 508 V C 0.596 176.883 176.094 0.322 0.000 1.172 508 V CA 0.304 62.718 62.300 0.190 0.000 1.140 508 V CB -1.209 30.631 31.823 0.028 0.000 0.784 508 V HN 0.352 nan 8.190 nan 0.000 0.467 509 D N 0.823 121.318 120.400 0.157 0.000 2.629 509 D HA -0.135 4.506 4.640 0.002 0.000 0.228 509 D C 0.655 176.974 176.300 0.033 0.000 1.127 509 D CA 0.915 55.002 54.000 0.145 0.000 0.855 509 D CB 0.761 41.609 40.800 0.080 0.000 1.180 509 D HN 0.521 nan 8.370 nan 0.000 0.484 510 Y N 2.872 123.096 120.300 -0.125 0.000 2.224 510 Y HA -0.285 4.266 4.550 0.002 0.000 0.289 510 Y C 2.395 178.049 175.900 -0.410 0.000 1.146 510 Y CA 2.011 59.784 58.100 -0.546 0.000 1.182 510 Y CB -0.230 38.016 38.460 -0.357 0.000 0.983 510 Y HN 0.437 nan 8.280 nan 0.000 0.524 511 S N -0.291 115.199 115.700 -0.349 0.000 2.370 511 S HA -0.301 4.170 4.470 0.002 0.000 0.226 511 S C 1.998 176.369 174.600 -0.381 0.000 1.033 511 S CA 1.424 59.402 58.200 -0.369 0.000 1.011 511 S CB -1.564 61.561 63.200 -0.124 0.000 0.852 511 S HN 0.530 nan 8.310 nan 0.000 0.457 512 F N 2.849 122.561 119.950 -0.396 0.000 2.146 512 F HA 0.185 4.713 4.527 0.002 0.000 0.298 512 F C 2.567 178.018 175.800 -0.582 0.000 1.096 512 F CA 0.789 58.568 58.000 -0.368 0.000 1.275 512 F CB -0.772 38.097 39.000 -0.218 0.000 1.008 512 F HN 0.285 nan 8.300 nan 0.000 0.480 513 A N -0.047 122.375 122.820 -0.663 0.000 1.969 513 A HA -0.155 4.166 4.320 0.002 0.000 0.218 513 A C 2.121 179.178 177.584 -0.878 0.000 1.169 513 A CA 1.611 53.023 52.037 -1.041 0.000 0.635 513 A CB -0.609 17.612 19.000 -1.298 0.000 0.810 513 A HN 0.377 nan 8.150 nan 0.000 0.445 514 R N 0.658 120.637 120.500 -0.868 0.000 2.075 514 R HA -0.042 4.299 4.340 0.002 0.000 0.226 514 R C 0.097 176.167 176.300 -0.384 0.000 1.114 514 R CA 1.230 56.963 56.100 -0.610 0.000 0.972 514 R CB -0.451 29.349 30.300 -0.834 0.000 0.869 514 R HN 0.319 nan 8.270 nan 0.000 0.437 515 D N 1.526 121.629 120.400 -0.496 0.000 2.545 515 D HA 0.087 4.728 4.640 0.002 0.000 0.227 515 D C -0.918 175.062 176.300 -0.534 0.000 1.150 515 D CA 0.207 53.956 54.000 -0.419 0.000 1.046 515 D CB -0.112 40.459 40.800 -0.382 0.000 1.098 515 D HN -0.043 nan 8.370 nan 0.000 0.502 516 K N 1.485 121.599 120.400 -0.476 0.000 2.512 516 K HA 0.255 4.576 4.320 0.002 0.000 0.263 516 K C -0.286 176.009 176.600 -0.509 0.000 0.966 516 K CA -0.800 55.103 56.287 -0.640 0.000 0.851 516 K CB 1.585 33.471 32.500 -1.024 0.000 1.395 516 K HN 0.129 nan 8.250 nan 0.000 0.440 517 Q N 2.053 121.596 119.800 -0.428 0.000 2.844 517 Q HA 0.160 4.501 4.340 0.002 0.000 0.235 517 Q C -0.706 175.141 176.000 -0.256 0.000 1.336 517 Q CA -0.075 55.576 55.803 -0.254 0.000 1.026 517 Q CB -0.615 28.018 28.738 -0.174 0.000 1.513 517 Q HN 0.336 nan 8.270 nan 0.000 0.577 518 Y N 0.814 121.057 120.300 -0.094 0.000 2.497 518 Y HA 0.039 4.590 4.550 0.002 0.000 0.334 518 Y C 1.000 176.877 175.900 -0.039 0.000 1.199 518 Y CA 0.800 58.862 58.100 -0.062 0.000 1.425 518 Y CB 0.694 39.123 38.460 -0.051 0.000 1.291 518 Y HN 0.174 nan 8.280 nan 0.000 0.562 519 K N 1.054 121.530 120.400 0.127 0.000 2.318 519 K HA 0.446 4.767 4.320 0.002 0.000 0.265 519 K C -1.008 175.643 176.600 0.086 0.000 1.055 519 K CA -1.174 55.158 56.287 0.074 0.000 0.896 519 K CB 1.848 34.363 32.500 0.026 0.000 1.479 519 K HN 0.696 nan 8.250 nan 0.000 0.449 527 Q N 0.543 120.423 119.800 0.133 0.000 2.605 527 Q HA 0.674 5.015 4.340 0.002 0.000 0.296 527 Q C -2.947 173.044 176.000 -0.015 0.000 1.056 527 Q CA -1.689 54.163 55.803 0.081 0.000 0.778 527 Q CB 1.967 30.683 28.738 -0.038 0.000 1.497 527 Q HN -0.023 nan 8.270 nan 0.000 0.443 528 P HA 0.277 nan 4.420 nan 0.000 0.267 528 P C -1.433 175.707 177.300 -0.267 0.000 1.205 528 P CA 0.410 63.388 63.100 -0.204 0.000 0.765 528 P CB 0.628 32.111 31.700 -0.361 0.000 0.828 529 A N 3.131 125.842 122.820 -0.182 0.000 2.612 529 A HA 0.587 4.908 4.320 0.002 0.000 0.293 529 A C -1.810 175.599 177.584 -0.291 0.000 1.075 529 A CA -0.530 51.333 52.037 -0.291 0.000 0.680 529 A CB 0.787 19.571 19.000 -0.359 0.000 1.279 529 A HN 0.334 nan 8.150 nan 0.000 0.411 530 Y N 0.185 120.384 120.300 -0.169 0.000 2.320 530 Y HA 0.564 5.115 4.550 0.002 0.000 0.334 530 Y C -0.512 175.406 175.900 0.030 0.000 1.055 530 Y CA 0.528 58.666 58.100 0.065 0.000 1.143 530 Y CB 1.097 39.583 38.460 0.043 0.000 1.193 530 Y HN 0.577 nan 8.280 nan 0.000 0.477 531 Y N 2.265 122.875 120.300 0.517 0.000 2.468 531 Y HA 0.688 5.239 4.550 0.002 0.000 0.342 531 Y C 0.041 176.115 175.900 0.290 0.000 1.021 531 Y CA -1.122 57.230 58.100 0.421 0.000 1.079 531 Y CB 2.017 40.732 38.460 0.426 0.000 1.226 531 Y HN 0.464 nan 8.280 nan 0.000 0.460 532 R N 1.134 121.791 120.500 0.262 0.000 2.707 532 R HA 0.790 5.131 4.340 0.002 0.000 0.272 532 R C -1.660 174.665 176.300 0.042 0.000 1.011 532 R CA -0.520 55.578 56.100 -0.004 0.000 0.893 532 R CB 2.105 32.061 30.300 -0.573 0.000 1.233 532 R HN 0.712 nan 8.270 nan 0.000 0.464 533 S N 0.536 116.271 115.700 0.059 0.000 2.565 533 S HA 0.418 4.889 4.470 0.002 0.000 0.274 533 S C -1.603 173.074 174.600 0.129 0.000 1.144 533 S CA -0.517 57.743 58.200 0.100 0.000 0.849 533 S CB 1.602 64.899 63.200 0.162 0.000 1.103 533 S HN 0.697 nan 8.310 nan 0.000 0.455 534 T N 1.037 115.654 114.554 0.106 0.000 2.912 534 T HA 0.885 5.236 4.350 0.002 0.000 0.288 534 T C -0.715 174.078 174.700 0.155 0.000 1.030 534 T CA -0.689 61.439 62.100 0.046 0.000 1.020 534 T CB 1.128 69.972 68.868 -0.040 0.000 1.056 534 T HN 0.903 nan 8.240 nan 0.000 0.480 535 F N -0.465 119.493 119.950 0.013 0.000 2.631 535 F HA 0.629 5.158 4.527 0.002 0.000 0.308 535 F C -0.880 174.926 175.800 0.011 0.000 1.097 535 F CA -1.299 56.710 58.000 0.015 0.000 0.952 535 F CB 1.486 40.498 39.000 0.020 0.000 1.307 535 F HN 0.694 nan 8.300 nan 0.000 0.450 536 N N 2.694 121.481 118.700 0.144 0.000 2.473 536 N HA 0.582 5.323 4.740 0.002 0.000 0.291 536 N C -1.778 173.819 175.510 0.145 0.000 1.083 536 N CA -0.269 52.813 53.050 0.054 0.000 0.951 536 N CB 1.540 40.052 38.487 0.042 0.000 1.164 536 N HN 0.842 nan 8.380 nan 0.000 0.480 537 L N 2.660 123.928 121.223 0.075 0.000 2.386 537 L HA 0.387 4.728 4.340 0.002 0.000 0.271 537 L C 0.700 177.600 176.870 0.050 0.000 0.993 537 L CA -0.739 54.161 54.840 0.099 0.000 0.819 537 L CB 2.043 44.171 42.059 0.115 0.000 1.294 537 L HN 0.572 nan 8.230 nan 0.000 0.414 538 N N 0.897 119.626 118.700 0.050 0.000 2.273 538 N HA 0.087 4.828 4.740 0.002 0.000 0.192 538 N C -0.315 175.212 175.510 0.029 0.000 1.132 538 N CA 0.246 53.315 53.050 0.032 0.000 0.887 538 N CB 1.512 40.017 38.487 0.031 0.000 1.048 538 N HN 0.600 nan 8.380 nan 0.000 0.490 539 E N 0.601 120.823 120.200 0.036 0.000 2.308 539 E HA 0.404 4.755 4.350 0.002 0.000 0.275 539 E C -1.219 175.401 176.600 0.034 0.000 0.890 539 E CA -0.425 55.992 56.400 0.030 0.000 0.754 539 E CB 1.744 31.461 29.700 0.028 0.000 1.207 539 E HN -0.073 nan 8.360 nan 0.000 0.426 540 L N 2.260 123.498 121.223 0.025 0.000 2.358 540 L HA 0.916 5.257 4.340 0.002 0.000 0.268 540 L C 0.511 177.389 176.870 0.014 0.000 1.032 540 L CA -0.625 54.228 54.840 0.022 0.000 0.805 540 L CB 1.785 43.854 42.059 0.016 0.000 1.253 540 L HN 0.792 nan 8.230 nan 0.000 0.452 541 G N -0.105 108.698 108.800 0.006 0.000 2.328 541 G HA2 0.142 4.103 3.960 0.002 0.000 0.299 541 G HA3 0.142 4.103 3.960 0.002 0.000 0.299 541 G C -2.076 172.805 174.900 -0.032 0.000 1.435 541 G CA -0.832 44.265 45.100 -0.004 0.000 0.865 541 G HN 0.396 nan 8.290 nan 0.000 0.601 542 D N -0.007 120.369 120.400 -0.040 0.000 2.372 542 D HA 0.601 5.242 4.640 0.002 0.000 0.243 542 D C 0.330 176.522 176.300 -0.179 0.000 1.121 542 D CA 0.707 54.639 54.000 -0.112 0.000 0.898 542 D CB 1.749 42.552 40.800 0.005 0.000 1.202 542 D HN 0.440 nan 8.370 nan 0.000 0.428 543 T N 0.488 114.837 114.554 -0.342 0.000 2.864 543 T HA 0.601 4.952 4.350 0.002 0.000 0.299 543 T C -1.645 172.740 174.700 -0.525 0.000 1.166 543 T CA -0.632 61.296 62.100 -0.287 0.000 1.007 543 T CB 0.428 69.233 68.868 -0.106 0.000 1.219 543 T HN 0.127 nan 8.240 nan 0.000 0.506 544 F N 2.570 122.571 119.950 0.084 0.000 2.434 544 F HA 0.509 5.037 4.527 0.002 0.000 0.355 544 F C 0.134 175.956 175.800 0.037 0.000 1.115 544 F CA -0.861 57.196 58.000 0.095 0.000 1.010 544 F CB 1.116 40.175 39.000 0.097 0.000 1.234 544 F HN 0.281 nan 8.300 nan 0.000 0.439 545 L N 3.810 125.107 121.223 0.123 0.000 2.477 545 L HA 0.081 4.422 4.340 0.002 0.000 0.272 545 L C 0.681 177.581 176.870 0.050 0.000 1.157 545 L CA 0.000 54.859 54.840 0.031 0.000 0.889 545 L CB 0.090 42.120 42.059 -0.048 0.000 1.158 545 L HN 0.620 nan 8.230 nan 0.000 0.473 550 W N 1.677 122.964 121.300 -0.022 0.000 2.576 550 W HA 0.501 5.162 4.660 0.002 0.000 0.360 550 W C 1.801 178.436 176.519 0.193 0.000 1.109 550 W CA -0.440 56.932 57.345 0.046 0.000 1.237 550 W CB 0.570 29.979 29.460 -0.085 0.000 1.369 550 W HN -0.112 nan 8.180 nan 0.000 0.609 551 S N 0.306 116.264 115.700 0.430 0.000 2.310 551 S HA 0.239 4.710 4.470 0.002 0.000 0.205 551 S C 0.149 174.844 174.600 0.158 0.000 1.020 551 S CA 0.552 58.917 58.200 0.275 0.000 0.939 551 S CB 0.022 63.337 63.200 0.190 0.000 0.919 551 S HN 0.457 nan 8.310 nan 0.000 0.501 552 K N -0.174 120.147 120.400 -0.131 0.000 2.572 552 K HA 0.529 4.850 4.320 0.002 0.000 0.263 552 K C -1.081 174.936 176.600 -0.971 0.000 0.932 552 K CA 0.047 55.836 56.287 -0.831 0.000 0.838 552 K CB 1.385 33.134 32.500 -1.252 0.000 1.366 552 K HN 0.739 nan 8.250 nan 0.000 0.425 556 W N 2.196 123.589 121.300 0.155 0.000 2.785 556 W HA 0.794 5.455 4.660 0.002 0.000 0.333 556 W C -1.201 175.373 176.519 0.091 0.000 1.062 556 W CA -0.764 56.659 57.345 0.130 0.000 1.233 556 W CB 2.201 31.795 29.460 0.223 0.000 1.413 556 W HN 0.371 nan 8.180 nan 0.000 0.489 557 V N 3.987 124.053 119.914 0.253 0.000 2.443 557 V HA 0.159 4.280 4.120 0.002 0.000 0.293 557 V C 0.208 176.361 176.094 0.098 0.000 1.021 557 V CA -0.949 61.465 62.300 0.189 0.000 0.848 557 V CB 1.338 33.285 31.823 0.206 0.000 0.998 557 V HN 0.684 nan 8.190 nan 0.000 0.424 558 N N 4.097 122.798 118.700 0.002 0.000 2.721 558 N HA -0.232 4.509 4.740 0.002 0.000 0.249 558 N C 1.225 176.519 175.510 -0.360 0.000 1.072 558 N CA 1.523 54.510 53.050 -0.105 0.000 0.710 558 N CB -0.967 37.522 38.487 0.003 0.000 0.993 558 N HN 1.552 nan 8.380 nan 0.000 0.547 559 G N -1.659 106.710 108.800 -0.718 0.000 2.199 559 G HA2 -0.338 3.623 3.960 0.002 0.000 0.254 559 G HA3 -0.338 3.623 3.960 0.002 0.000 0.254 559 G C -0.105 174.341 174.900 -0.757 0.000 0.982 559 G CA 0.679 44.964 45.100 -1.358 0.000 0.632 559 G HN 0.721 nan 8.290 nan 0.000 0.529 560 H N 0.670 119.499 119.070 -0.401 0.000 2.527 560 H HA 0.628 5.185 4.556 0.002 0.000 0.321 560 H C 0.667 175.937 175.328 -0.098 0.000 1.087 560 H CA 0.374 56.154 56.048 -0.448 0.000 1.337 560 H CB 1.554 30.734 29.762 -0.970 0.000 1.440 560 H HN 0.502 nan 8.280 nan 0.000 0.490 561 A N 4.003 126.863 122.820 0.065 0.000 2.539 561 A HA 0.124 4.445 4.320 0.002 0.000 0.306 561 A C 0.746 178.403 177.584 0.122 0.000 1.392 561 A CA -0.318 51.740 52.037 0.034 0.000 1.060 561 A CB -0.594 18.486 19.000 0.133 0.000 1.134 561 A HN 0.686 nan 8.150 nan 0.000 0.542 562 I N 1.778 122.420 120.570 0.121 0.000 2.493 562 I HA 0.114 4.285 4.170 0.002 0.000 0.254 562 I C 1.545 177.858 176.117 0.327 0.000 1.160 562 I CA 1.336 62.843 61.300 0.344 0.000 1.445 562 I CB -0.948 37.187 38.000 0.224 0.000 1.086 562 I HN 0.926 nan 8.210 nan 0.000 0.433 563 G N -0.298 108.561 108.800 0.098 0.000 2.343 563 G HA2 -0.019 3.942 3.960 0.002 0.000 0.465 563 G HA3 -0.019 3.942 3.960 0.002 0.000 0.465 563 G C -0.560 174.352 174.900 0.020 0.000 1.282 563 G CA -1.053 44.090 45.100 0.073 0.000 0.996 563 G HN 0.091 nan 8.290 nan 0.000 0.521 564 R N -0.725 119.806 120.500 0.052 0.000 2.528 564 R HA 0.699 5.040 4.340 0.002 0.000 0.271 564 R C -0.304 176.099 176.300 0.171 0.000 1.056 564 R CA -0.405 55.682 56.100 -0.022 0.000 1.117 564 R CB 1.020 31.263 30.300 -0.095 0.000 1.085 564 R HN 0.849 nan 8.270 nan 0.000 0.530 565 Y N -1.746 118.477 120.300 -0.128 0.000 2.588 565 Y HA 0.672 5.223 4.550 0.002 0.000 0.343 565 Y C -1.675 173.982 175.900 -0.406 0.000 1.065 565 Y CA -1.474 56.575 58.100 -0.085 0.000 1.038 565 Y CB 1.684 40.157 38.460 0.021 0.000 1.297 565 Y HN 0.604 nan 8.280 nan 0.000 0.467 566 W N 4.567 125.530 121.300 -0.561 0.000 3.544 566 W HA 0.276 4.937 4.660 0.002 0.000 0.326 566 W C 0.419 176.874 176.519 -0.106 0.000 1.137 566 W CA -1.564 55.411 57.345 -0.616 0.000 1.252 566 W CB 2.001 30.727 29.460 -1.222 0.000 1.302 566 W HN 0.939 nan 8.180 nan 0.000 0.467 567 E N 3.207 123.622 120.200 0.360 0.000 2.233 567 E HA -0.286 4.065 4.350 0.002 0.000 0.199 567 E C 1.565 178.209 176.600 0.073 0.000 1.004 567 E CA 2.169 58.705 56.400 0.226 0.000 0.819 567 E CB -0.233 29.599 29.700 0.220 0.000 0.738 567 E HN 0.620 nan 8.360 nan 0.000 0.478 568 I N -1.708 118.765 120.570 -0.162 0.000 2.756 568 I HA 0.136 4.307 4.170 0.002 0.000 0.262 568 I C 1.345 177.448 176.117 -0.024 0.000 1.225 568 I CA 0.668 61.832 61.300 -0.226 0.000 1.472 568 I CB -0.700 36.928 38.000 -0.621 0.000 1.094 568 I HN 0.253 nan 8.210 nan 0.000 0.454 569 G N 2.295 111.203 108.800 0.179 0.000 2.645 569 G HA2 -0.260 3.701 3.960 0.002 0.000 0.239 569 G HA3 -0.260 3.701 3.960 0.002 0.000 0.239 569 G C -1.573 173.478 174.900 0.251 0.000 1.331 569 G CA 0.043 45.306 45.100 0.271 0.000 0.890 569 G HN 0.231 nan 8.290 nan 0.000 0.572 570 P HA -0.072 nan 4.420 nan 0.000 0.225 570 P C 0.804 178.110 177.300 0.010 0.000 1.148 570 P CA 1.518 64.644 63.100 0.042 0.000 0.779 570 P CB 0.074 31.801 31.700 0.045 0.000 0.780 571 Q N 0.127 119.920 119.800 -0.011 0.000 2.286 571 Q HA 0.070 4.411 4.340 0.002 0.000 0.257 571 Q C 0.618 176.760 176.000 0.237 0.000 0.941 571 Q CA -0.093 55.724 55.803 0.023 0.000 0.912 571 Q CB 0.627 29.292 28.738 -0.122 0.000 1.192 571 Q HN -0.002 nan 8.270 nan 0.000 0.410 572 Q N 1.695 121.591 119.800 0.160 0.000 2.179 572 Q HA 0.135 4.476 4.340 0.002 0.000 0.244 572 Q C -0.246 175.851 176.000 0.162 0.000 0.808 572 Q CA 0.427 56.342 55.803 0.187 0.000 0.955 572 Q CB 1.567 30.378 28.738 0.122 0.000 1.141 572 Q HN 0.800 nan 8.270 nan 0.000 0.485 573 T N -1.748 112.894 114.554 0.147 0.000 2.932 573 T HA 0.761 5.112 4.350 0.002 0.000 0.289 573 T C -0.184 174.652 174.700 0.227 0.000 1.039 573 T CA -0.689 61.513 62.100 0.169 0.000 1.024 573 T CB 1.702 70.681 68.868 0.185 0.000 1.090 573 T HN -0.029 nan 8.240 nan 0.000 0.496 574 L N 2.388 123.750 121.223 0.231 0.000 2.325 574 L HA 0.403 4.744 4.340 0.002 0.000 0.281 574 L C -0.814 176.240 176.870 0.306 0.000 1.004 574 L CA -1.334 53.657 54.840 0.251 0.000 0.823 574 L CB 1.466 43.625 42.059 0.167 0.000 1.236 574 L HN 0.728 nan 8.230 nan 0.000 0.415 575 Y N 4.332 124.763 120.300 0.218 0.000 2.632 575 Y HA 0.229 4.780 4.550 0.002 0.000 0.329 575 Y C -0.509 175.417 175.900 0.042 0.000 1.174 575 Y CA -0.182 57.968 58.100 0.083 0.000 1.469 575 Y CB 0.659 39.211 38.460 0.153 0.000 1.242 575 Y HN 0.215 nan 8.280 nan 0.000 0.540 576 V N 9.884 129.508 119.914 -0.485 0.000 2.349 576 V HA 0.311 4.432 4.120 0.002 0.000 0.284 576 V C -2.339 173.285 176.094 -0.783 0.000 1.014 576 V CA -2.083 59.948 62.300 -0.448 0.000 0.826 576 V CB 1.466 33.192 31.823 -0.162 0.000 1.009 576 V HN 0.713 nan 8.190 nan 0.000 0.431 577 P HA 0.153 nan 4.420 nan 0.000 0.271 577 P C 1.180 178.177 177.300 -0.506 0.000 1.220 577 P CA 0.158 62.709 63.100 -0.914 0.000 0.768 577 P CB 1.085 31.932 31.700 -1.422 0.000 0.848 578 G N 2.464 111.131 108.800 -0.222 0.000 2.462 578 G HA2 -0.317 3.644 3.960 0.002 0.000 0.220 578 G HA3 -0.317 3.644 3.960 0.002 0.000 0.220 578 G C 1.376 176.198 174.900 -0.130 0.000 1.121 578 G CA 0.913 45.950 45.100 -0.104 0.000 0.758 578 G HN 0.682 nan 8.290 nan 0.000 0.559 579 C N -2.398 116.732 119.300 -0.284 0.000 2.466 579 C HA 0.156 4.617 4.460 0.002 0.000 0.283 579 C C 1.707 176.624 174.990 -0.122 0.000 1.472 579 C CA -0.643 58.202 59.018 -0.289 0.000 1.765 579 C CB -1.272 26.102 27.740 -0.611 0.000 1.724 579 C HN 0.487 nan 8.230 nan 0.000 0.560 580 W N 0.979 122.032 121.300 -0.411 0.000 3.127 580 W HA 0.569 5.230 4.660 0.002 0.000 0.344 580 W C 0.489 176.858 176.519 -0.250 0.000 1.151 580 W CA -1.154 55.890 57.345 -0.503 0.000 1.765 580 W CB -0.671 28.307 29.460 -0.802 0.000 1.085 580 W HN 0.257 nan 8.180 nan 0.000 0.596 581 L N 2.107 123.343 121.223 0.022 0.000 2.358 581 L HA 0.529 4.870 4.340 0.002 0.000 0.268 581 L C 0.424 177.293 176.870 -0.000 0.000 1.032 581 L CA -0.755 54.099 54.840 0.024 0.000 0.805 581 L CB 1.491 43.574 42.059 0.039 0.000 1.253 581 L HN -0.300 nan 8.230 nan 0.000 0.452 582 K N 0.785 121.171 120.400 -0.023 0.000 2.508 582 K HA 0.407 4.728 4.320 0.002 0.000 0.260 582 K C -1.326 175.254 176.600 -0.034 0.000 0.949 582 K CA -1.021 55.248 56.287 -0.029 0.000 0.834 582 K CB 2.306 34.781 32.500 -0.043 0.000 1.365 582 K HN 0.341 nan 8.250 nan 0.000 0.437 583 K N 0.798 121.186 120.400 -0.020 0.000 2.451 583 K HA 0.220 4.541 4.320 0.002 0.000 0.280 583 K C 0.426 177.008 176.600 -0.031 0.000 1.020 583 K CA 1.846 58.125 56.287 -0.013 0.000 1.008 583 K CB 0.028 32.525 32.500 -0.006 0.000 0.917 583 K HN 0.893 nan 8.250 nan 0.000 0.478 584 G N 2.968 111.750 108.800 -0.030 0.000 2.578 584 G HA2 -0.258 3.703 3.960 0.002 0.000 0.232 584 G HA3 -0.258 3.703 3.960 0.002 0.000 0.232 584 G C -0.725 174.118 174.900 -0.095 0.000 1.176 584 G CA -0.203 44.870 45.100 -0.045 0.000 0.968 584 G HN 0.684 nan 8.290 nan 0.000 0.583 585 E N 1.399 121.530 120.200 -0.115 0.000 2.259 585 E HA 0.391 4.742 4.350 0.002 0.000 0.281 585 E C -0.334 176.093 176.600 -0.288 0.000 1.037 585 E CA -0.422 55.867 56.400 -0.184 0.000 0.854 585 E CB 0.073 29.698 29.700 -0.124 0.000 1.051 585 E HN 0.425 nan 8.360 nan 0.000 0.409 586 N N 3.834 122.199 118.700 -0.558 0.000 2.319 586 N HA 0.169 4.910 4.740 0.002 0.000 0.305 586 N C -1.180 173.943 175.510 -0.645 0.000 1.103 586 N CA -0.531 52.085 53.050 -0.723 0.000 0.815 586 N CB 2.017 39.712 38.487 -1.320 0.000 1.288 586 N HN 0.574 nan 8.380 nan 0.000 0.493 587 E N 2.056 122.082 120.200 -0.290 0.000 2.183 587 E HA 0.483 4.834 4.350 0.002 0.000 0.271 587 E C -1.323 175.338 176.600 0.101 0.000 0.919 587 E CA -0.577 55.776 56.400 -0.078 0.000 0.781 587 E CB 1.820 31.502 29.700 -0.030 0.000 1.140 587 E HN 0.516 nan 8.360 nan 0.000 0.402 588 I N 5.420 126.110 120.570 0.201 0.000 2.533 588 I HA 0.442 4.613 4.170 0.002 0.000 0.290 588 I C -1.578 174.672 176.117 0.222 0.000 1.056 588 I CA -0.793 60.660 61.300 0.255 0.000 1.057 588 I CB 1.167 39.343 38.000 0.294 0.000 1.240 588 I HN 0.570 nan 8.210 nan 0.000 0.423 589 I N 8.073 128.833 120.570 0.317 0.000 2.498 589 I HA 0.467 4.638 4.170 0.002 0.000 0.290 589 I C -0.836 175.581 176.117 0.499 0.000 1.032 589 I CA -0.626 60.911 61.300 0.395 0.000 1.073 589 I CB 2.125 40.384 38.000 0.432 0.000 1.251 589 I HN 0.420 nan 8.210 nan 0.000 0.426 590 I N 6.546 127.369 120.570 0.421 0.000 2.436 590 I HA 0.288 4.459 4.170 0.002 0.000 0.289 590 I C -0.922 175.501 176.117 0.511 0.000 1.010 590 I CA -0.831 60.647 61.300 0.297 0.000 1.098 590 I CB 2.239 40.105 38.000 -0.222 0.000 1.266 590 I HN 0.309 nan 8.210 nan 0.000 0.434 591 L N 6.473 127.969 121.223 0.455 0.000 2.259 591 L HA 0.464 4.805 4.340 0.002 0.000 0.288 591 L C -0.618 176.386 176.870 0.224 0.000 1.051 591 L CA 0.467 55.461 54.840 0.257 0.000 0.824 591 L CB 0.633 42.810 42.059 0.198 0.000 1.206 591 L HN 0.557 nan 8.230 nan 0.000 0.429 595 G N 0.474 109.396 108.800 0.203 0.000 3.209 595 G HA2 0.193 4.154 3.960 0.002 0.000 0.686 595 G HA3 0.193 4.154 3.960 0.002 0.000 0.686 595 G C -2.682 172.231 174.900 0.022 0.000 1.065 595 G CA -0.167 45.027 45.100 0.156 0.000 0.812 595 G HN 0.569 nan 8.290 nan 0.000 0.573 596 P HA 0.349 nan 4.420 nan 0.000 0.276 596 P C 0.958 178.052 177.300 -0.343 0.000 1.244 596 P CA 0.080 62.897 63.100 -0.471 0.000 0.801 596 P CB 1.850 32.758 31.700 -1.320 0.000 1.006 597 S N 0.519 116.025 115.700 -0.324 0.000 2.406 597 S HA -0.071 4.400 4.470 0.002 0.000 0.228 597 S C 0.680 175.138 174.600 -0.237 0.000 1.020 597 S CA 1.039 59.118 58.200 -0.201 0.000 0.965 597 S CB -0.401 62.712 63.200 -0.145 0.000 0.798 597 S HN 0.570 nan 8.310 nan 0.000 0.488 598 K N -0.383 119.781 120.400 -0.393 0.000 2.561 598 K HA 0.504 4.825 4.320 0.002 0.000 0.254 598 K C -1.386 174.871 176.600 -0.573 0.000 0.942 598 K CA -0.303 55.780 56.287 -0.339 0.000 0.818 598 K CB 1.419 33.795 32.500 -0.206 0.000 1.306 598 K HN -0.001 nan 8.250 nan 0.000 0.435 599 A N 4.820 127.385 122.820 -0.425 0.000 3.048 599 A HA 0.177 4.498 4.320 0.002 0.000 0.264 599 A C -0.596 176.979 177.584 -0.014 0.000 1.796 599 A CA 0.228 52.006 52.037 -0.432 0.000 1.445 599 A CB -0.708 18.200 19.000 -0.152 0.000 1.074 599 A HN 0.720 nan 8.150 nan 0.000 0.621 600 E N -0.750 119.494 120.200 0.074 0.000 2.390 600 E HA 0.618 4.969 4.350 0.002 0.000 0.280 600 E C -0.949 175.868 176.600 0.362 0.000 0.992 600 E CA -0.794 55.749 56.400 0.239 0.000 0.790 600 E CB 1.120 30.872 29.700 0.086 0.000 1.248 600 E HN 0.113 nan 8.360 nan 0.000 0.447 601 T N -0.095 114.604 114.554 0.242 0.000 2.864 601 T HA 0.547 4.899 4.350 0.002 0.000 0.289 601 T C -1.740 172.973 174.700 0.021 0.000 1.082 601 T CA -0.386 61.806 62.100 0.154 0.000 1.009 601 T CB 1.703 70.573 68.868 0.003 0.000 1.234 601 T HN 0.683 nan 8.240 nan 0.000 0.526 602 E N 0.117 120.313 120.200 -0.007 0.000 2.390 602 E HA 0.603 4.954 4.350 0.002 0.000 0.277 602 E C -0.698 175.878 176.600 -0.041 0.000 0.939 602 E CA -1.430 54.947 56.400 -0.039 0.000 0.769 602 E CB 1.335 31.034 29.700 -0.002 0.000 1.251 602 E HN 0.772 nan 8.360 nan 0.000 0.450 603 G N 2.585 111.348 108.800 -0.062 0.000 2.329 603 G HA2 0.498 4.459 3.960 0.002 0.000 0.309 603 G HA3 0.498 4.459 3.960 0.002 0.000 0.309 603 G C -0.357 174.568 174.900 0.042 0.000 1.110 603 G CA -0.604 44.480 45.100 -0.026 0.000 0.923 603 G HN 0.358 nan 8.290 nan 0.000 0.430 604 L N 1.841 123.135 121.223 0.119 0.000 2.358 604 L HA 0.482 4.823 4.340 0.002 0.000 0.268 604 L C 1.347 178.383 176.870 0.276 0.000 1.032 604 L CA -1.037 53.897 54.840 0.157 0.000 0.805 604 L CB 2.069 44.213 42.059 0.143 0.000 1.253 604 L HN 0.540 nan 8.230 nan 0.000 0.452 605 R N -0.174 120.462 120.500 0.226 0.000 2.334 605 R HA 0.116 4.457 4.340 0.002 0.000 0.216 605 R C 0.020 176.515 176.300 0.325 0.000 0.905 605 R CA 0.084 56.355 56.100 0.286 0.000 1.064 605 R CB 0.511 30.899 30.300 0.145 0.000 1.046 605 R HN 0.528 nan 8.270 nan 0.000 0.508 606 Q N 1.116 120.988 119.800 0.119 0.000 2.389 606 Q HA 0.390 4.731 4.340 0.002 0.000 0.277 606 Q C -2.706 172.935 176.000 -0.598 0.000 1.082 606 Q CA -2.430 53.212 55.803 -0.269 0.000 0.810 606 Q CB 3.026 31.682 28.738 -0.137 0.000 1.374 606 Q HN -0.154 nan 8.270 nan 0.000 0.422 607 P HA 0.342 nan 4.420 nan 0.000 0.281 607 P C -0.847 176.257 177.300 -0.327 0.000 1.264 607 P CA -0.359 62.282 63.100 -0.765 0.000 0.824 607 P CB 1.288 32.442 31.700 -0.910 0.000 1.092 608 I N 2.108 122.571 120.570 -0.177 0.000 2.382 608 I HA 0.244 4.415 4.170 0.002 0.000 0.285 608 I C 0.888 176.928 176.117 -0.128 0.000 1.007 608 I CA -0.375 60.855 61.300 -0.117 0.000 1.142 608 I CB 1.074 39.052 38.000 -0.038 0.000 1.289 608 I HN 0.177 nan 8.210 nan 0.000 0.453 609 L N 4.906 125.998 121.223 -0.219 0.000 3.135 609 L HA 0.223 4.565 4.340 0.002 0.000 0.279 609 L C 0.173 176.807 176.870 -0.394 0.000 1.200 609 L CA 0.061 54.702 54.840 -0.331 0.000 1.016 609 L CB 0.162 41.922 42.059 -0.500 0.000 1.391 609 L HN 0.594 nan 8.230 nan 0.000 0.588 610 D N -0.102 120.171 120.400 -0.211 0.000 2.720 610 D HA 0.152 4.793 4.640 0.002 0.000 0.285 610 D C -0.222 176.071 176.300 -0.012 0.000 1.359 610 D CA -0.052 53.904 54.000 -0.073 0.000 0.818 610 D CB 0.521 41.318 40.800 -0.004 0.000 1.108 610 D HN -0.102 nan 8.370 nan 0.000 0.474 611 V N 1.118 121.027 119.914 -0.008 0.000 2.350 611 V HA 0.294 4.415 4.120 0.002 0.000 0.285 611 V C -0.109 176.006 176.094 0.035 0.000 1.014 611 V CA -0.586 61.723 62.300 0.015 0.000 0.831 611 V CB 1.514 33.347 31.823 0.017 0.000 1.000 611 V HN 0.076 nan 8.190 nan 0.000 0.433 612 Q N 4.177 123.993 119.800 0.028 0.000 2.226 612 Q HA 0.749 5.090 4.340 0.002 0.000 0.256 612 Q C -0.638 175.369 176.000 0.013 0.000 0.962 612 Q CA -0.749 55.068 55.803 0.025 0.000 0.887 612 Q CB 2.534 31.282 28.738 0.018 0.000 1.282 612 Q HN 0.608 nan 8.270 nan 0.000 0.449 613 R N -0.200 120.300 120.500 -0.000 0.000 2.740 613 R HA 0.681 5.022 4.340 0.002 0.000 0.273 613 R C -0.610 175.677 176.300 -0.023 0.000 0.998 613 R CA -0.352 55.747 56.100 -0.001 0.000 0.900 613 R CB 2.108 32.420 30.300 0.020 0.000 1.223 613 R HN 0.899 nan 8.270 nan 0.000 0.466 614 G N 1.603 110.397 108.800 -0.010 0.000 2.796 614 G HA2 -0.236 3.725 3.960 0.002 0.000 0.571 614 G HA3 -0.236 3.725 3.960 0.002 0.000 0.571 614 G C -0.822 174.062 174.900 -0.026 0.000 1.370 614 G CA -0.832 44.261 45.100 -0.011 0.000 0.856 614 G HN 0.549 nan 8.290 nan 0.000 0.538 615 N N 0.225 118.912 118.700 -0.022 0.000 2.354 615 N HA 0.436 5.178 4.740 0.002 0.000 0.246 615 N C 1.206 176.676 175.510 -0.067 0.000 1.285 615 N CA 0.574 53.603 53.050 -0.035 0.000 0.925 615 N CB 0.267 38.743 38.487 -0.018 0.000 1.174 615 N HN 1.304 nan 8.380 nan 0.000 0.478 616 G N -0.510 108.233 108.800 -0.095 0.000 2.178 616 G HA2 0.176 4.137 3.960 0.002 0.000 0.244 616 G HA3 0.176 4.137 3.960 0.002 0.000 0.244 616 G C 0.856 175.682 174.900 -0.124 0.000 1.213 616 G CA 0.155 45.185 45.100 -0.116 0.000 0.912 616 G HN 0.634 nan 8.290 nan 0.000 0.474 617 A N 2.912 125.639 122.820 -0.155 0.000 2.169 617 A HA 0.391 4.712 4.320 0.002 0.000 0.212 617 A C 0.393 177.696 177.584 -0.468 0.000 1.153 617 A CA 0.527 52.368 52.037 -0.327 0.000 0.756 617 A CB 0.087 18.777 19.000 -0.515 0.000 0.813 617 A HN 0.628 nan 8.150 nan 0.000 0.471 618 Y N -1.928 118.348 120.300 -0.040 0.000 2.630 618 Y HA 0.619 5.170 4.550 0.002 0.000 0.337 618 Y C 0.650 176.509 175.900 -0.068 0.000 1.051 618 Y CA -1.095 56.996 58.100 -0.016 0.000 1.121 618 Y CB 1.125 39.578 38.460 -0.013 0.000 1.299 618 Y HN 0.091 nan 8.280 nan 0.000 0.498 619 A N 0.011 122.927 122.820 0.160 0.000 2.462 619 A HA 0.118 4.439 4.320 0.002 0.000 0.243 619 A C 0.540 178.163 177.584 0.065 0.000 1.076 619 A CA -0.072 52.014 52.037 0.081 0.000 0.773 619 A CB -0.208 18.865 19.000 0.123 0.000 1.010 619 A HN 1.047 nan 8.150 nan 0.000 0.493 620 H N 1.017 120.154 119.070 0.111 0.000 2.362 620 H HA -0.240 4.317 4.556 0.002 0.000 0.294 620 H C 2.102 177.498 175.328 0.114 0.000 1.113 620 H CA 2.681 58.806 56.048 0.128 0.000 1.253 620 H CB -0.043 29.832 29.762 0.188 0.000 1.363 620 H HN 0.802 nan 8.280 nan 0.000 0.494 621 R N 1.105 121.723 120.500 0.196 0.000 2.357 621 R HA 0.017 4.358 4.340 0.002 0.000 0.202 621 R C 0.071 176.406 176.300 0.058 0.000 1.047 621 R CA 0.830 56.995 56.100 0.108 0.000 1.034 621 R CB 0.108 30.453 30.300 0.074 0.000 0.875 621 R HN 0.232 nan 8.270 nan 0.000 0.473 625 E N -0.204 120.056 120.200 0.099 0.000 2.748 625 E HA 0.519 4.870 4.350 0.002 0.000 0.320 625 E C -0.954 175.834 176.600 0.313 0.000 0.996 625 E CA -0.044 56.441 56.400 0.140 0.000 0.835 625 E CB 1.169 30.931 29.700 0.102 0.000 1.265 625 E HN 0.954 nan 8.360 nan 0.000 0.420 626 G N 2.952 111.902 108.800 0.249 0.000 2.618 626 G HA2 0.461 4.422 3.960 0.002 0.000 0.280 626 G HA3 0.461 4.422 3.960 0.002 0.000 0.280 626 G C -0.487 174.473 174.900 0.100 0.000 1.458 626 G CA -0.251 44.965 45.100 0.193 0.000 1.224 626 G HN 0.433 nan 8.290 nan 0.000 0.576 627 H N 1.731 120.865 119.070 0.108 0.000 2.006 627 H HA 0.193 4.750 4.556 0.002 0.000 0.189 627 H C -0.357 175.038 175.328 0.113 0.000 0.887 627 H CA 0.676 56.767 56.048 0.072 0.000 0.958 627 H CB 1.054 30.873 29.762 0.096 0.000 1.163 627 H HN 0.613 nan 8.280 nan 0.000 0.364 628 H N 1.081 120.354 119.070 0.339 0.000 2.806 628 H HA 0.210 4.767 4.556 0.002 0.000 0.218 628 H C 0.130 175.582 175.328 0.206 0.000 1.392 628 H CA -0.227 55.958 56.048 0.227 0.000 1.358 628 H CB 0.435 30.328 29.762 0.219 0.000 1.944 628 H HN 0.340 nan 8.280 nan 0.000 0.530 629 H N 1.004 120.096 119.070 0.037 0.000 4.447 629 H HA -0.032 4.526 4.556 0.002 0.000 0.280 629 H C 0.484 175.780 175.328 -0.053 0.000 1.046 629 H CA 0.418 56.407 56.048 -0.098 0.000 0.928 629 H CB 0.225 29.806 29.762 -0.302 0.000 2.073 629 H HN 0.478 nan 8.280 nan 0.000 1.375 630 H N 0.000 119.156 119.070 0.143 0.000 2.539 630 H HA 0.000 4.557 4.556 0.002 0.000 0.296 630 H CA 0.000 56.082 56.048 0.057 0.000 1.023 630 H CB 0.000 29.803 29.762 0.068 0.000 1.292 630 H HN 0.000 nan 8.280 nan 0.000 0.496