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 1dpg_1_A DATA FIRST_RESID 1 DATA SEQUENCE VSEIKTLVTF FGGTGDLAKR KLYPSVFNLY KKGYLQKHFA IVGTARQALN DATA SEQUENCE DDEFKQLVRD CIKDFTDDQA QAEAFIEHFS YRAHDVTDAA SYAVLKEAIE DATA SEQUENCE EAADKFDIDG NRIFYMSVAP RFFGTIAKYL KSEGLLADTG YNRLMIEKPF DATA SEQUENCE GTSYDTAAEL QNDLENAFDD NQLFRIDHYL GKEMVQNIAA LRFGNPIFDA DATA SEQUENCE AWNKDYIKNV QVTLSEVLGV EERAGYYDTA GALLDMIQNH TMQIVGWLAM DATA SEQUENCE EKPESFTDKD IRAAKNAAFN ALKIYDEAEV NKYFVRAQYG AGDSADFKPY DATA SEQUENCE LEELDVPADS KNNTFIAGEL QFDLPRWEGV PFYVRSGKRL AAKQTRVDIV DATA SEQUENCE FKAGTFNFGS EQEAQEAVLS IIIDPKGAIE LKLNAKSVED AFNTRTIDLG DATA SEQUENCE WTVSDEDKKN TPEPYERMIH DTMNGDGSNF ADWNGVSIAW KFVDAISAVY DATA SEQUENCE TADKAPLETY KSGSMGPEAS DKLLAANGDA WVFKG 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.054 176.094 -0.066 0.000 1.182 1 V CA 0.000 62.229 62.300 -0.118 0.000 1.235 1 V CB 0.000 31.616 31.823 -0.344 0.000 1.184 2 S N 1.523 117.244 115.700 0.035 0.000 2.580 2 S HA 0.381 4.851 4.470 -0.000 0.000 0.274 2 S C -0.054 174.603 174.600 0.095 0.000 1.329 2 S CA -0.129 58.112 58.200 0.068 0.000 1.036 2 S CB 0.997 64.257 63.200 0.101 0.000 0.919 2 S HN 1.014 nan 8.310 nan 0.000 0.515 3 E N 1.921 122.172 120.200 0.085 0.000 2.338 3 E HA 0.191 4.541 4.350 -0.000 0.000 0.272 3 E C -0.877 175.806 176.600 0.139 0.000 1.029 3 E CA -0.248 56.216 56.400 0.107 0.000 0.872 3 E CB 0.429 30.206 29.700 0.129 0.000 1.015 3 E HN 0.482 nan 8.360 nan 0.000 0.417 4 I N 4.467 125.122 120.570 0.141 0.000 2.331 4 I HA 0.198 4.368 4.170 -0.000 0.000 0.292 4 I C -0.199 176.007 176.117 0.148 0.000 0.998 4 I CA -0.568 60.813 61.300 0.136 0.000 1.267 4 I CB 1.264 39.321 38.000 0.094 0.000 1.386 4 I HN 0.343 nan 8.210 nan 0.000 0.476 5 K N 5.650 126.143 120.400 0.155 0.000 2.367 5 K HA 0.577 4.897 4.320 -0.000 0.000 0.263 5 K C -0.908 175.768 176.600 0.127 0.000 1.000 5 K CA -0.457 55.930 56.287 0.167 0.000 0.891 5 K CB 1.622 34.189 32.500 0.111 0.000 1.117 5 K HN 0.588 nan 8.250 nan 0.000 0.443 6 T N 0.826 115.465 114.554 0.143 0.000 2.843 6 T HA 0.446 4.796 4.350 -0.000 0.000 0.302 6 T C -1.329 173.407 174.700 0.061 0.000 1.232 6 T CA -0.882 61.264 62.100 0.076 0.000 1.009 6 T CB 1.328 70.266 68.868 0.116 0.000 1.254 6 T HN 0.395 nan 8.240 nan 0.000 0.504 7 L N 1.773 122.974 121.223 -0.036 0.000 2.372 7 L HA 0.737 5.077 4.340 -0.000 0.000 0.274 7 L C -1.509 175.261 176.870 -0.166 0.000 0.988 7 L CA -0.794 54.002 54.840 -0.072 0.000 0.833 7 L CB 1.183 43.190 42.059 -0.087 0.000 1.236 7 L HN 0.541 nan 8.230 nan 0.000 0.410 8 V N 3.123 122.946 119.914 -0.152 0.000 2.435 8 V HA 0.503 4.623 4.120 -0.000 0.000 0.290 8 V C 0.011 175.920 176.094 -0.308 0.000 1.030 8 V CA -0.390 61.742 62.300 -0.280 0.000 0.881 8 V CB 1.775 33.446 31.823 -0.254 0.000 0.983 8 V HN 0.739 nan 8.190 nan 0.000 0.445 9 T N 5.588 119.902 114.554 -0.401 0.000 2.791 9 T HA 0.572 4.922 4.350 -0.000 0.000 0.288 9 T C -0.659 173.891 174.700 -0.250 0.000 0.999 9 T CA -0.055 61.887 62.100 -0.263 0.000 0.952 9 T CB 0.315 69.069 68.868 -0.190 0.000 0.938 9 T HN 0.309 nan 8.240 nan 0.000 0.444 10 F N 3.055 122.997 119.950 -0.014 0.000 2.391 10 F HA 0.483 5.010 4.527 -0.000 0.000 0.359 10 F C 0.036 175.827 175.800 -0.015 0.000 1.122 10 F CA -1.122 56.935 58.000 0.097 0.000 1.120 10 F CB 0.470 39.548 39.000 0.129 0.000 1.142 10 F HN 0.487 nan 8.300 nan 0.000 0.483 11 F N 1.943 122.107 119.950 0.357 0.000 2.424 11 F HA 0.485 5.012 4.527 -0.000 0.000 0.356 11 F C 0.937 176.916 175.800 0.297 0.000 1.110 11 F CA -0.421 57.740 58.000 0.268 0.000 1.161 11 F CB 1.082 40.244 39.000 0.271 0.000 1.115 11 F HN 0.721 nan 8.300 nan 0.000 0.507 12 G N 2.191 111.203 108.800 0.355 0.000 2.167 12 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.194 12 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.194 12 G C 1.094 176.144 174.900 0.250 0.000 1.027 12 G CA -0.134 45.141 45.100 0.291 0.000 0.717 12 G HN 1.141 nan 8.290 nan 0.000 0.501 13 G N -0.140 108.822 108.800 0.269 0.000 2.653 13 G HA2 0.221 4.181 3.960 -0.000 0.000 0.212 13 G HA3 0.221 4.181 3.960 -0.000 0.000 0.212 13 G C 1.375 176.518 174.900 0.405 0.000 1.138 13 G CA 2.047 47.356 45.100 0.349 0.000 0.782 13 G HN 1.529 nan 8.290 nan 0.000 0.535 14 T N -3.259 111.461 114.554 0.277 0.000 3.040 14 T HA 0.434 4.784 4.350 -0.000 0.000 0.266 14 T C 1.245 176.036 174.700 0.152 0.000 1.005 14 T CA 0.246 62.487 62.100 0.235 0.000 0.906 14 T CB 0.912 69.888 68.868 0.180 0.000 1.082 14 T HN 0.229 nan 8.240 nan 0.000 0.531 15 G N 0.763 109.639 108.800 0.127 0.000 2.634 15 G HA2 0.285 4.245 3.960 -0.000 0.000 0.255 15 G HA3 0.285 4.245 3.960 -0.000 0.000 0.255 15 G C 0.296 175.222 174.900 0.043 0.000 1.205 15 G CA -0.377 44.775 45.100 0.087 0.000 0.884 15 G HN 0.079 nan 8.290 nan 0.000 0.549 16 D N -0.441 119.977 120.400 0.030 0.000 2.117 16 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 16 D C 2.497 178.763 176.300 -0.057 0.000 0.987 16 D CA 0.682 54.684 54.000 0.002 0.000 0.829 16 D CB -0.006 40.802 40.800 0.013 0.000 0.961 16 D HN 0.207 nan 8.370 nan 0.000 0.460 17 L N 1.103 122.281 121.223 -0.074 0.000 2.012 17 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 17 L C 2.173 178.859 176.870 -0.305 0.000 1.073 17 L CA 2.018 56.750 54.840 -0.179 0.000 0.748 17 L CB -0.696 41.285 42.059 -0.129 0.000 0.891 17 L HN -0.032 nan 8.230 nan 0.000 0.431 18 A N -0.719 121.916 122.820 -0.308 0.000 1.877 18 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 18 A C 2.321 179.562 177.584 -0.572 0.000 1.186 18 A CA 2.018 53.677 52.037 -0.631 0.000 0.620 18 A CB -0.518 18.168 19.000 -0.523 0.000 0.822 18 A HN 0.502 nan 8.150 nan 0.000 0.443 19 K N -0.402 119.906 120.400 -0.153 0.000 2.002 19 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 19 K C 2.102 178.706 176.600 0.007 0.000 1.048 19 K CA 1.970 58.285 56.287 0.047 0.000 0.930 19 K CB -0.183 32.357 32.500 0.067 0.000 0.714 19 K HN 0.656 nan 8.250 nan 0.000 0.438 20 R N -0.210 120.260 120.500 -0.050 0.000 2.280 20 R HA 0.166 4.506 4.340 -0.000 0.000 0.195 20 R C 1.480 177.727 176.300 -0.090 0.000 0.935 20 R CA 0.464 56.550 56.100 -0.023 0.000 1.033 20 R CB 0.260 30.562 30.300 0.003 0.000 0.964 20 R HN -0.076 nan 8.270 nan 0.000 0.489 21 K N 0.168 120.440 120.400 -0.213 0.000 2.354 21 K HA 0.205 4.525 4.320 -0.000 0.000 0.210 21 K C 1.696 178.130 176.600 -0.275 0.000 1.184 21 K CA 0.115 56.237 56.287 -0.274 0.000 0.880 21 K CB -0.273 31.911 32.500 -0.527 0.000 1.328 21 K HN -0.020 nan 8.250 nan 0.000 0.466 22 L N 1.006 121.968 121.223 -0.435 0.000 1.976 22 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 22 L C 2.514 179.210 176.870 -0.290 0.000 1.071 22 L CA 1.883 56.448 54.840 -0.460 0.000 0.746 22 L CB -1.302 40.229 42.059 -0.880 0.000 0.890 22 L HN 0.125 nan 8.230 nan 0.000 0.432 23 Y N -0.660 119.553 120.300 -0.145 0.000 2.181 23 Y HA -0.123 4.427 4.550 -0.000 0.000 0.288 23 Y C -0.104 175.858 175.900 0.102 0.000 1.146 23 Y CA 0.663 58.776 58.100 0.022 0.000 1.164 23 Y CB -2.509 35.923 38.460 -0.047 0.000 0.982 23 Y HN 0.273 nan 8.280 nan 0.000 0.515 24 P HA -0.109 nan 4.420 nan 0.000 0.217 24 P C 1.758 179.025 177.300 -0.054 0.000 1.150 24 P CA 2.167 65.234 63.100 -0.053 0.000 0.832 24 P CB 0.054 31.548 31.700 -0.342 0.000 0.787 25 S N -0.626 115.064 115.700 -0.016 0.000 2.348 25 S HA -0.113 4.357 4.470 -0.000 0.000 0.221 25 S C 2.005 176.664 174.600 0.097 0.000 1.033 25 S CA 1.329 59.546 58.200 0.028 0.000 1.010 25 S CB -1.299 61.955 63.200 0.090 0.000 0.891 25 S HN -0.051 nan 8.310 nan 0.000 0.442 26 V N 1.448 121.494 119.914 0.219 0.000 2.392 26 V HA -0.165 3.955 4.120 -0.000 0.000 0.249 26 V C 1.956 178.241 176.094 0.318 0.000 1.059 26 V CA 1.704 64.202 62.300 0.330 0.000 1.051 26 V CB -0.764 31.395 31.823 0.560 0.000 0.658 26 V HN 0.474 nan 8.190 nan 0.000 0.455 27 F N 1.757 121.718 119.950 0.018 0.000 2.171 27 F HA -0.141 4.386 4.527 -0.000 0.000 0.300 27 F C 2.103 177.753 175.800 -0.250 0.000 1.090 27 F CA 1.800 59.486 58.000 -0.524 0.000 1.293 27 F CB -0.659 38.011 39.000 -0.550 0.000 1.013 27 F HN 0.197 nan 8.300 nan 0.000 0.486 28 N N 0.057 118.608 118.700 -0.248 0.000 2.142 28 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 28 N C 1.702 177.104 175.510 -0.181 0.000 1.023 28 N CA 1.047 53.924 53.050 -0.288 0.000 0.852 28 N CB -0.336 38.056 38.487 -0.159 0.000 0.998 28 N HN 0.173 nan 8.380 nan 0.000 0.424 29 L N -0.197 120.981 121.223 -0.075 0.000 2.191 29 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 29 L C 1.783 178.633 176.870 -0.035 0.000 1.103 29 L CA 1.326 56.153 54.840 -0.020 0.000 0.769 29 L CB -1.198 40.813 42.059 -0.080 0.000 0.908 29 L HN 0.317 nan 8.230 nan 0.000 0.438 30 Y N 0.385 120.547 120.300 -0.230 0.000 2.153 30 Y HA -0.198 4.352 4.550 -0.000 0.000 0.289 30 Y C 2.468 178.204 175.900 -0.273 0.000 1.127 30 Y CA 1.614 59.569 58.100 -0.242 0.000 1.131 30 Y CB -0.046 38.313 38.460 -0.169 0.000 0.995 30 Y HN 0.062 nan 8.280 nan 0.000 0.505 31 K N 0.291 120.436 120.400 -0.425 0.000 2.063 31 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 31 K C 1.969 178.371 176.600 -0.331 0.000 1.048 31 K CA 1.949 57.971 56.287 -0.443 0.000 0.928 31 K CB -0.203 32.004 32.500 -0.489 0.000 0.713 31 K HN 0.301 nan 8.250 nan 0.000 0.442 32 K N -0.726 119.528 120.400 -0.245 0.000 2.362 32 K HA -0.080 4.240 4.320 -0.000 0.000 0.200 32 K C 1.176 177.549 176.600 -0.378 0.000 1.046 32 K CA 0.836 56.993 56.287 -0.216 0.000 0.952 32 K CB 0.141 32.630 32.500 -0.019 0.000 0.753 32 K HN 0.461 nan 8.250 nan 0.000 0.466 33 G N -0.054 108.518 108.800 -0.381 0.000 2.176 33 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.232 33 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.232 33 G C 0.583 175.264 174.900 -0.364 0.000 0.986 33 G CA 0.117 44.979 45.100 -0.397 0.000 0.643 33 G HN 0.241 nan 8.290 nan 0.000 0.522 34 Y N -0.320 119.867 120.300 -0.187 0.000 2.242 34 Y HA 0.322 4.872 4.550 -0.000 0.000 0.291 34 Y C 1.642 177.438 175.900 -0.174 0.000 1.137 34 Y CA 0.724 58.725 58.100 -0.165 0.000 1.181 34 Y CB 0.035 38.341 38.460 -0.257 0.000 0.989 34 Y HN 0.247 nan 8.280 nan 0.000 0.527 35 L N 0.898 122.058 121.223 -0.105 0.000 2.264 35 L HA 0.222 4.562 4.340 -0.000 0.000 0.289 35 L C 0.243 177.016 176.870 -0.161 0.000 1.044 35 L CA 0.028 54.681 54.840 -0.311 0.000 0.807 35 L CB 1.211 42.858 42.059 -0.687 0.000 1.192 35 L HN 0.247 nan 8.230 nan 0.000 0.425 36 Q N 2.048 121.883 119.800 0.058 0.000 2.164 36 Q HA 0.266 4.606 4.340 -0.000 0.000 0.165 36 Q C 0.754 176.990 176.000 0.394 0.000 0.570 36 Q CA -0.059 55.855 55.803 0.185 0.000 0.759 36 Q CB 0.782 29.582 28.738 0.104 0.000 1.059 36 Q HN 0.478 nan 8.270 nan 0.000 0.464 37 K N -0.456 120.123 120.400 0.299 0.000 2.380 37 K HA 0.196 4.516 4.320 -0.000 0.000 0.200 37 K C 0.354 177.027 176.600 0.122 0.000 1.201 37 K CA 0.072 56.478 56.287 0.198 0.000 0.916 37 K CB 0.623 33.094 32.500 -0.048 0.000 1.187 37 K HN 0.176 nan 8.250 nan 0.000 0.498 38 H N 1.376 120.634 119.070 0.314 0.000 2.970 38 H HA 0.108 4.664 4.556 -0.000 0.000 0.226 38 H C -0.801 174.691 175.328 0.273 0.000 1.909 38 H CA 0.307 56.511 56.048 0.260 0.000 1.388 38 H CB -0.990 28.888 29.762 0.193 0.000 1.773 38 H HN 0.096 nan 8.280 nan 0.000 0.559 39 F N -0.550 119.423 119.950 0.039 0.000 2.719 39 F HA 0.712 5.239 4.527 0.000 0.000 0.309 39 F C -1.923 173.738 175.800 -0.230 0.000 1.138 39 F CA -1.312 56.647 58.000 -0.070 0.000 0.943 39 F CB 1.125 40.070 39.000 -0.092 0.000 1.304 39 F HN 0.139 nan 8.300 nan 0.000 0.445 40 A N 2.803 125.453 122.820 -0.283 0.000 2.574 40 A HA 0.794 5.114 4.320 -0.000 0.000 0.297 40 A C -2.202 175.234 177.584 -0.247 0.000 1.062 40 A CA -0.707 51.075 52.037 -0.424 0.000 0.686 40 A CB 1.544 20.462 19.000 -0.135 0.000 1.285 40 A HN 0.729 nan 8.150 nan 0.000 0.403 41 I N 2.091 122.409 120.570 -0.420 0.000 2.389 41 I HA 0.404 4.574 4.170 -0.000 0.000 0.288 41 I C -0.527 175.534 176.117 -0.092 0.000 0.999 41 I CA -0.757 60.356 61.300 -0.312 0.000 1.129 41 I CB 1.146 38.628 38.000 -0.863 0.000 1.288 41 I HN 0.290 nan 8.210 nan 0.000 0.444 42 V N 5.744 125.668 119.914 0.017 0.000 2.328 42 V HA 0.593 4.713 4.120 -0.000 0.000 0.278 42 V C 0.765 176.894 176.094 0.057 0.000 1.021 42 V CA -0.542 61.766 62.300 0.013 0.000 0.838 42 V CB 1.372 33.142 31.823 -0.087 0.000 0.999 42 V HN 0.898 nan 8.190 nan 0.000 0.447 43 G N 2.514 111.343 108.800 0.047 0.000 2.400 43 G HA2 0.588 4.548 3.960 -0.000 0.000 0.301 43 G HA3 0.588 4.548 3.960 -0.000 0.000 0.301 43 G C -0.436 174.177 174.900 -0.479 0.000 1.154 43 G CA -0.262 44.794 45.100 -0.073 0.000 0.852 43 G HN 0.639 nan 8.290 nan 0.000 0.511 44 T N -0.940 113.396 114.554 -0.362 0.000 2.982 44 T HA 0.721 5.071 4.350 -0.000 0.000 0.321 44 T C -0.547 174.057 174.700 -0.161 0.000 1.229 44 T CA 0.453 62.220 62.100 -0.554 0.000 1.044 44 T CB 1.401 69.904 68.868 -0.607 0.000 1.184 44 T HN 1.641 nan 8.240 nan 0.000 0.477 45 A N 2.969 125.732 122.820 -0.095 0.000 2.536 45 A HA 0.663 4.983 4.320 -0.000 0.000 0.293 45 A C 0.563 178.205 177.584 0.096 0.000 1.119 45 A CA -0.562 51.544 52.037 0.115 0.000 0.654 45 A CB 0.852 19.988 19.000 0.225 0.000 1.291 45 A HN 0.895 nan 8.150 nan 0.000 0.439 46 R N 0.202 120.753 120.500 0.085 0.000 2.200 46 R HA 0.045 4.385 4.340 -0.000 0.000 0.208 46 R C 0.532 176.877 176.300 0.076 0.000 1.033 46 R CA 0.704 56.830 56.100 0.043 0.000 1.000 46 R CB -0.415 29.883 30.300 -0.004 0.000 0.906 46 R HN 0.759 nan 8.270 nan 0.000 0.462 47 Q N 1.496 121.367 119.800 0.118 0.000 2.373 47 Q HA 0.310 4.650 4.340 -0.000 0.000 0.255 47 Q C -0.465 175.617 176.000 0.136 0.000 0.980 47 Q CA 0.006 55.867 55.803 0.098 0.000 0.882 47 Q CB 0.928 29.705 28.738 0.065 0.000 1.249 47 Q HN 0.150 nan 8.270 nan 0.000 0.438 48 A N 3.886 126.753 122.820 0.078 0.000 3.048 48 A HA 0.264 4.584 4.320 -0.000 0.000 0.264 48 A C -0.387 177.219 177.584 0.037 0.000 1.796 48 A CA -0.359 51.727 52.037 0.081 0.000 1.445 48 A CB -0.654 18.372 19.000 0.043 0.000 1.074 48 A HN 0.558 nan 8.150 nan 0.000 0.621 49 L N 0.950 122.173 121.223 0.001 0.000 2.569 49 L HA 0.569 4.909 4.340 -0.000 0.000 0.247 49 L C 0.496 177.318 176.870 -0.080 0.000 1.135 49 L CA -0.033 54.670 54.840 -0.229 0.000 0.812 49 L CB 0.983 42.583 42.059 -0.764 0.000 1.431 49 L HN 0.794 nan 8.230 nan 0.000 0.499 50 N N -3.193 115.441 118.700 -0.111 0.000 2.853 50 N HA 0.313 5.053 4.740 -0.000 0.000 0.258 50 N C -0.148 175.401 175.510 0.064 0.000 1.444 50 N CA -0.672 52.410 53.050 0.053 0.000 0.837 50 N CB 0.329 38.835 38.487 0.030 0.000 1.489 50 N HN 0.273 nan 8.380 nan 0.000 0.529 51 D N -0.283 120.189 120.400 0.120 0.000 2.126 51 D HA -0.167 4.473 4.640 -0.000 0.000 0.190 51 D C 0.689 177.045 176.300 0.092 0.000 1.001 51 D CA 1.579 55.666 54.000 0.146 0.000 0.841 51 D CB -0.261 40.602 40.800 0.106 0.000 0.949 51 D HN 0.557 nan 8.370 nan 0.000 0.446 52 D N -0.033 120.387 120.400 0.032 0.000 2.117 52 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 52 D C 1.999 178.279 176.300 -0.033 0.000 0.987 52 D CA 0.878 54.873 54.000 -0.008 0.000 0.829 52 D CB -0.203 40.587 40.800 -0.016 0.000 0.961 52 D HN 0.188 nan 8.370 nan 0.000 0.460 53 E N -0.453 119.728 120.200 -0.031 0.000 2.152 53 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 53 E C 1.690 178.257 176.600 -0.056 0.000 0.983 53 E CA 0.342 56.706 56.400 -0.061 0.000 0.818 53 E CB -0.267 29.385 29.700 -0.080 0.000 0.758 53 E HN 0.161 nan 8.360 nan 0.000 0.467 54 F N 1.227 121.044 119.950 -0.222 0.000 2.163 54 F HA 0.035 4.562 4.527 -0.000 0.000 0.297 54 F C 1.701 177.351 175.800 -0.250 0.000 1.094 54 F CA 1.346 59.198 58.000 -0.246 0.000 1.290 54 F CB -0.112 38.793 39.000 -0.158 0.000 1.017 54 F HN -0.085 nan 8.300 nan 0.000 0.483 55 K N -0.354 119.901 120.400 -0.241 0.000 2.103 55 K HA -0.254 4.066 4.320 -0.000 0.000 0.207 55 K C 2.082 178.441 176.600 -0.403 0.000 1.048 55 K CA 1.610 57.653 56.287 -0.406 0.000 0.930 55 K CB -0.314 32.062 32.500 -0.206 0.000 0.716 55 K HN 0.228 nan 8.250 nan 0.000 0.444 56 Q N 1.344 120.987 119.800 -0.261 0.000 2.079 56 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 56 Q C 1.952 177.799 176.000 -0.256 0.000 0.974 56 Q CA 1.198 56.871 55.803 -0.217 0.000 0.840 56 Q CB -0.294 28.361 28.738 -0.139 0.000 0.898 56 Q HN 0.243 nan 8.270 nan 0.000 0.430 57 L N -0.541 120.516 121.223 -0.277 0.000 1.970 57 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 57 L C 2.106 178.751 176.870 -0.376 0.000 1.071 57 L CA 1.858 56.543 54.840 -0.258 0.000 0.751 57 L CB -0.996 40.945 42.059 -0.196 0.000 0.889 57 L HN 0.153 nan 8.230 nan 0.000 0.432 58 V N 0.400 119.907 119.914 -0.680 0.000 2.282 58 V HA -0.361 3.759 4.120 -0.000 0.000 0.249 58 V C 2.820 178.611 176.094 -0.506 0.000 1.057 58 V CA 2.347 64.159 62.300 -0.812 0.000 1.032 58 V CB -0.930 30.028 31.823 -1.442 0.000 0.645 58 V HN 0.611 nan 8.190 nan 0.000 0.447 59 R N -0.021 120.211 120.500 -0.447 0.000 2.103 59 R HA -0.227 4.113 4.340 -0.000 0.000 0.242 59 R C 1.988 178.155 176.300 -0.222 0.000 1.142 59 R CA 2.307 58.221 56.100 -0.310 0.000 0.960 59 R CB -0.377 29.773 30.300 -0.250 0.000 0.858 59 R HN 0.518 nan 8.270 nan 0.000 0.439 60 D N -0.187 120.097 120.400 -0.194 0.000 2.123 60 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 60 D C 1.831 178.072 176.300 -0.098 0.000 0.976 60 D CA 1.099 55.020 54.000 -0.131 0.000 0.831 60 D CB -0.385 40.349 40.800 -0.110 0.000 0.974 60 D HN 0.299 nan 8.370 nan 0.000 0.469 61 C N 0.698 119.942 119.300 -0.095 0.000 2.432 61 C HA -0.004 4.456 4.460 -0.000 0.000 0.282 61 C C 2.315 177.367 174.990 0.104 0.000 1.388 61 C CA 0.144 59.166 59.018 0.006 0.000 1.777 61 C CB -1.034 26.729 27.740 0.037 0.000 1.882 61 C HN 0.438 nan 8.230 nan 0.000 0.520 62 I N -0.401 120.173 120.570 0.006 0.000 4.025 62 I HA 0.148 4.318 4.170 -0.000 0.000 0.336 62 I C 1.955 178.073 176.117 0.001 0.000 1.390 62 I CA 0.121 61.495 61.300 0.124 0.000 1.099 62 I CB -0.558 37.280 38.000 -0.269 0.000 1.049 62 I HN 0.213 nan 8.210 nan 0.000 0.394 63 K N 1.024 121.361 120.400 -0.105 0.000 2.103 63 K HA -0.232 4.088 4.320 -0.000 0.000 0.207 63 K C 1.409 177.893 176.600 -0.194 0.000 1.048 63 K CA 2.220 58.428 56.287 -0.133 0.000 0.930 63 K CB -0.446 31.979 32.500 -0.125 0.000 0.716 63 K HN 0.247 nan 8.250 nan 0.000 0.444 64 D N -0.305 119.853 120.400 -0.404 0.000 2.310 64 D HA -0.094 4.546 4.640 -0.000 0.000 0.212 64 D C 0.307 176.151 176.300 -0.759 0.000 0.965 64 D CA 0.750 54.357 54.000 -0.656 0.000 0.879 64 D CB 0.096 40.359 40.800 -0.895 0.000 0.921 64 D HN 0.413 nan 8.370 nan 0.000 0.510 65 F N -0.639 119.368 119.950 0.095 0.000 2.654 65 F HA 0.234 4.761 4.527 -0.000 0.000 0.303 65 F C 0.639 176.597 175.800 0.264 0.000 1.099 65 F CA -0.498 57.599 58.000 0.161 0.000 1.270 65 F CB -0.368 38.763 39.000 0.218 0.000 1.024 65 F HN -0.245 nan 8.300 nan 0.000 0.548 66 T N -2.736 111.990 114.554 0.286 0.000 2.856 66 T HA 0.205 4.555 4.350 -0.000 0.000 0.292 66 T C 0.637 175.437 174.700 0.167 0.000 0.980 66 T CA -0.579 61.703 62.100 0.304 0.000 1.091 66 T CB 1.861 70.821 68.868 0.153 0.000 0.936 66 T HN -0.001 nan 8.240 nan 0.000 0.503 67 D N 1.354 121.854 120.400 0.167 0.000 2.201 67 D HA 0.042 4.682 4.640 -0.000 0.000 0.209 67 D C 0.583 176.929 176.300 0.077 0.000 0.961 67 D CA 1.009 55.065 54.000 0.092 0.000 0.861 67 D CB 0.271 41.112 40.800 0.068 0.000 0.997 67 D HN 0.889 nan 8.370 nan 0.000 0.486 68 D N -0.689 119.772 120.400 0.102 0.000 2.655 68 D HA 0.069 4.709 4.640 -0.000 0.000 0.229 68 D C 0.533 176.887 176.300 0.089 0.000 1.229 68 D CA -0.500 53.546 54.000 0.078 0.000 0.807 68 D CB 2.266 43.106 40.800 0.067 0.000 1.514 68 D HN -0.360 nan 8.370 nan 0.000 0.444 69 Q N 1.175 121.010 119.800 0.058 0.000 2.045 69 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 69 Q C 2.257 178.300 176.000 0.072 0.000 0.991 69 Q CA 3.199 59.029 55.803 0.046 0.000 0.851 69 Q CB -0.759 27.994 28.738 0.026 0.000 0.911 69 Q HN 0.687 nan 8.270 nan 0.000 0.418 70 A N 0.190 123.059 122.820 0.082 0.000 1.948 70 A HA -0.322 3.998 4.320 -0.000 0.000 0.220 70 A C 2.044 179.728 177.584 0.167 0.000 1.177 70 A CA 2.016 54.116 52.037 0.105 0.000 0.636 70 A CB -0.840 18.217 19.000 0.095 0.000 0.815 70 A HN 0.622 nan 8.150 nan 0.000 0.449 71 Q N -0.592 119.328 119.800 0.200 0.000 2.050 71 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 71 Q C 2.202 178.426 176.000 0.374 0.000 0.980 71 Q CA 1.709 57.709 55.803 0.327 0.000 0.840 71 Q CB -0.355 28.570 28.738 0.312 0.000 0.898 71 Q HN 0.594 nan 8.270 nan 0.000 0.424 72 A N 0.891 123.846 122.820 0.225 0.000 1.898 72 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 72 A C 1.920 179.555 177.584 0.085 0.000 1.181 72 A CA 1.454 53.534 52.037 0.071 0.000 0.620 72 A CB -0.472 18.491 19.000 -0.062 0.000 0.819 72 A HN 0.402 nan 8.150 nan 0.000 0.442 73 E N 0.091 120.342 120.200 0.085 0.000 2.051 73 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 73 E C 2.378 179.046 176.600 0.113 0.000 0.991 73 E CA 1.302 57.739 56.400 0.062 0.000 0.799 73 E CB -0.692 29.040 29.700 0.053 0.000 0.748 73 E HN 0.558 nan 8.360 nan 0.000 0.449 74 A N 0.872 123.810 122.820 0.195 0.000 1.908 74 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 74 A C 2.116 179.873 177.584 0.288 0.000 1.181 74 A CA 1.437 53.636 52.037 0.270 0.000 0.627 74 A CB -0.819 18.412 19.000 0.385 0.000 0.818 74 A HN 0.279 nan 8.150 nan 0.000 0.445 75 F N 0.164 120.087 119.950 -0.046 0.000 2.075 75 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 75 F C 1.871 177.733 175.800 0.103 0.000 1.113 75 F CA 1.647 59.500 58.000 -0.244 0.000 1.218 75 F CB -0.476 38.314 39.000 -0.349 0.000 0.984 75 F HN 0.154 nan 8.300 nan 0.000 0.472 76 I N 1.245 121.784 120.570 -0.053 0.000 2.335 76 I HA -0.294 3.876 4.170 -0.000 0.000 0.251 76 I C 2.320 178.410 176.117 -0.044 0.000 1.129 76 I CA 1.831 62.989 61.300 -0.235 0.000 1.402 76 I CB -0.756 37.099 38.000 -0.241 0.000 1.069 76 I HN 0.424 nan 8.210 nan 0.000 0.424 77 E N -1.032 119.178 120.200 0.016 0.000 2.526 77 E HA -0.161 4.189 4.350 -0.000 0.000 0.198 77 E C 1.177 177.729 176.600 -0.081 0.000 1.091 77 E CA 0.778 57.175 56.400 -0.005 0.000 0.880 77 E CB -0.417 29.278 29.700 -0.008 0.000 0.873 77 E HN 0.614 nan 8.360 nan 0.000 0.527 78 H N -0.482 118.478 119.070 -0.183 0.000 2.586 78 H HA 0.168 4.724 4.556 -0.000 0.000 0.273 78 H C -0.430 174.654 175.328 -0.408 0.000 0.997 78 H CA -0.131 55.560 56.048 -0.595 0.000 1.177 78 H CB 0.212 29.159 29.762 -1.358 0.000 1.471 78 H HN 0.126 nan 8.280 nan 0.000 0.538 79 F N 1.478 121.324 119.950 -0.173 0.000 2.432 79 F HA 0.322 4.849 4.527 -0.000 0.000 0.329 79 F C 0.746 176.609 175.800 0.105 0.000 1.076 79 F CA -0.737 57.242 58.000 -0.034 0.000 1.018 79 F CB 1.702 40.603 39.000 -0.164 0.000 1.201 79 F HN -0.112 nan 8.300 nan 0.000 0.489 80 S N 1.212 117.133 115.700 0.368 0.000 2.638 80 S HA 0.731 5.201 4.470 -0.000 0.000 0.274 80 S C -1.916 172.828 174.600 0.241 0.000 1.157 80 S CA -0.831 57.532 58.200 0.271 0.000 0.826 80 S CB 2.186 65.456 63.200 0.116 0.000 1.139 80 S HN 0.624 nan 8.310 nan 0.000 0.474 81 Y N 0.335 120.605 120.300 -0.050 0.000 2.534 81 Y HA 0.770 5.320 4.550 -0.000 0.000 0.345 81 Y C -1.268 174.519 175.900 -0.189 0.000 1.031 81 Y CA -0.760 57.157 58.100 -0.305 0.000 1.022 81 Y CB 1.585 39.774 38.460 -0.452 0.000 1.292 81 Y HN 0.816 nan 8.280 nan 0.000 0.459 82 R N 3.655 123.555 120.500 -1.000 0.000 2.515 82 R HA 0.634 4.974 4.340 -0.000 0.000 0.291 82 R C -1.020 174.792 176.300 -0.814 0.000 1.046 82 R CA -0.871 54.868 56.100 -0.601 0.000 0.914 82 R CB 1.605 31.677 30.300 -0.379 0.000 1.191 82 R HN 0.842 nan 8.270 nan 0.000 0.435 83 A N 2.871 125.487 122.820 -0.340 0.000 2.425 83 A HA 0.352 4.672 4.320 -0.000 0.000 0.242 83 A C -0.291 177.240 177.584 -0.088 0.000 1.077 83 A CA 0.257 52.219 52.037 -0.126 0.000 0.781 83 A CB 0.374 19.424 19.000 0.085 0.000 1.020 83 A HN 0.779 nan 8.150 nan 0.000 0.494 84 H N 0.968 119.924 119.070 -0.190 0.000 3.123 84 H HA 0.268 4.824 4.556 -0.000 0.000 0.346 84 H C -2.281 172.953 175.328 -0.156 0.000 1.138 84 H CA -0.557 55.368 56.048 -0.205 0.000 1.273 84 H CB 1.726 31.318 29.762 -0.284 0.000 1.926 84 H HN 0.672 nan 8.280 nan 0.000 0.524 85 D N 4.337 124.348 120.400 -0.647 0.000 2.412 85 D HA 0.126 4.766 4.640 -0.000 0.000 0.224 85 D C 1.622 177.466 176.300 -0.760 0.000 1.093 85 D CA -0.343 53.356 54.000 -0.503 0.000 0.850 85 D CB 1.297 41.935 40.800 -0.269 0.000 1.046 85 D HN 0.385 nan 8.370 nan 0.000 0.507 86 V N 2.107 121.693 119.914 -0.547 0.000 2.828 86 V HA -0.171 3.949 4.120 -0.000 0.000 0.260 86 V C 1.601 177.787 176.094 0.155 0.000 1.101 86 V CA 2.241 64.431 62.300 -0.183 0.000 1.123 86 V CB -1.508 30.289 31.823 -0.043 0.000 0.704 86 V HN 0.683 nan 8.190 nan 0.000 0.493 87 T N -3.210 111.375 114.554 0.050 0.000 3.057 87 T HA 0.087 4.437 4.350 -0.000 0.000 0.254 87 T C 0.648 175.432 174.700 0.142 0.000 1.094 87 T CA 0.563 62.791 62.100 0.213 0.000 1.088 87 T CB -0.254 68.714 68.868 0.166 0.000 0.934 87 T HN 0.507 nan 8.240 nan 0.000 0.497 88 D N 1.208 121.598 120.400 -0.017 0.000 2.339 88 D HA 0.605 5.245 4.640 -0.000 0.000 0.241 88 D C 1.293 177.532 176.300 -0.101 0.000 1.183 88 D CA -0.049 53.912 54.000 -0.065 0.000 0.859 88 D CB 1.159 41.900 40.800 -0.099 0.000 1.067 88 D HN 0.179 nan 8.370 nan 0.000 0.484 89 A N 3.998 126.678 122.820 -0.233 0.000 1.948 89 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 89 A C 2.073 179.613 177.584 -0.074 0.000 1.177 89 A CA 1.970 53.771 52.037 -0.393 0.000 0.636 89 A CB -0.572 18.261 19.000 -0.278 0.000 0.815 89 A HN 0.640 nan 8.150 nan 0.000 0.449 90 A N -1.074 121.725 122.820 -0.034 0.000 1.929 90 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 90 A C 2.405 180.002 177.584 0.022 0.000 1.176 90 A CA 1.838 53.876 52.037 0.001 0.000 0.628 90 A CB -0.918 18.076 19.000 -0.010 0.000 0.816 90 A HN 0.580 nan 8.150 nan 0.000 0.444 91 S N -1.353 114.339 115.700 -0.014 0.000 2.402 91 S HA -0.232 4.238 4.470 -0.000 0.000 0.233 91 S C 1.798 176.419 174.600 0.036 0.000 1.030 91 S CA 1.772 59.947 58.200 -0.041 0.000 1.003 91 S CB -0.617 62.449 63.200 -0.223 0.000 0.813 91 S HN 0.624 nan 8.310 nan 0.000 0.477 92 Y N 1.464 121.809 120.300 0.075 0.000 2.256 92 Y HA -0.042 4.508 4.550 -0.000 0.000 0.288 92 Y C 2.642 178.558 175.900 0.028 0.000 1.155 92 Y CA 0.835 58.987 58.100 0.087 0.000 1.203 92 Y CB -0.734 37.738 38.460 0.020 0.000 0.980 92 Y HN 0.380 nan 8.280 nan 0.000 0.530 93 A N -0.504 122.395 122.820 0.131 0.000 1.933 93 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 93 A C 2.377 179.980 177.584 0.032 0.000 1.175 93 A CA 1.803 53.882 52.037 0.069 0.000 0.628 93 A CB -1.106 17.920 19.000 0.044 0.000 0.814 93 A HN 0.251 nan 8.150 nan 0.000 0.444 94 V N -0.157 119.765 119.914 0.013 0.000 2.343 94 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 94 V C 2.479 178.545 176.094 -0.046 0.000 1.051 94 V CA 1.872 64.161 62.300 -0.019 0.000 1.036 94 V CB -0.689 31.116 31.823 -0.029 0.000 0.654 94 V HN 0.611 nan 8.190 nan 0.000 0.451 95 L N -0.077 121.102 121.223 -0.073 0.000 2.056 95 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 95 L C 2.665 179.515 176.870 -0.032 0.000 1.078 95 L CA 2.007 56.769 54.840 -0.129 0.000 0.749 95 L CB -0.371 41.525 42.059 -0.271 0.000 0.901 95 L HN 0.350 nan 8.230 nan 0.000 0.433 96 K N 0.017 120.436 120.400 0.032 0.000 2.063 96 K HA -0.291 4.029 4.320 -0.000 0.000 0.208 96 K C 1.979 178.597 176.600 0.031 0.000 1.048 96 K CA 1.972 58.296 56.287 0.062 0.000 0.928 96 K CB -0.097 32.449 32.500 0.077 0.000 0.713 96 K HN 0.346 nan 8.250 nan 0.000 0.442 97 E N -0.244 119.962 120.200 0.011 0.000 2.072 97 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 97 E C 1.845 178.438 176.600 -0.012 0.000 0.985 97 E CA 0.925 57.325 56.400 -0.001 0.000 0.801 97 E CB -0.127 29.569 29.700 -0.006 0.000 0.750 97 E HN 0.443 nan 8.360 nan 0.000 0.452 98 A N 1.331 124.134 122.820 -0.029 0.000 1.883 98 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 98 A C 2.169 179.739 177.584 -0.023 0.000 1.186 98 A CA 1.478 53.492 52.037 -0.039 0.000 0.624 98 A CB -0.716 18.236 19.000 -0.080 0.000 0.822 98 A HN 0.326 nan 8.150 nan 0.000 0.444 99 I N -0.436 120.126 120.570 -0.014 0.000 2.163 99 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 99 I C 2.539 178.664 176.117 0.014 0.000 1.085 99 I CA 1.812 63.116 61.300 0.006 0.000 1.347 99 I CB -0.524 37.506 38.000 0.049 0.000 1.044 99 I HN 0.455 nan 8.210 nan 0.000 0.408 100 E N 0.338 120.548 120.200 0.016 0.000 2.110 100 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 100 E C 2.045 178.644 176.600 -0.003 0.000 0.988 100 E CA 1.073 57.480 56.400 0.012 0.000 0.804 100 E CB -0.107 29.601 29.700 0.013 0.000 0.745 100 E HN 0.490 nan 8.360 nan 0.000 0.458 101 E N 0.619 120.812 120.200 -0.012 0.000 2.051 101 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 101 E C 2.067 178.644 176.600 -0.039 0.000 0.991 101 E CA 0.948 57.329 56.400 -0.031 0.000 0.799 101 E CB -0.026 29.654 29.700 -0.032 0.000 0.748 101 E HN 0.219 nan 8.360 nan 0.000 0.449 102 A N 1.035 123.853 122.820 -0.004 0.000 1.902 102 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 102 A C 2.355 179.991 177.584 0.086 0.000 1.181 102 A CA 1.715 53.784 52.037 0.053 0.000 0.623 102 A CB -0.716 18.329 19.000 0.075 0.000 0.818 102 A HN 0.384 nan 8.150 nan 0.000 0.443 103 A N -0.102 122.749 122.820 0.051 0.000 1.933 103 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 103 A C 1.763 179.373 177.584 0.043 0.000 1.175 103 A CA 2.097 54.170 52.037 0.060 0.000 0.628 103 A CB -0.657 18.362 19.000 0.032 0.000 0.814 103 A HN 0.494 nan 8.150 nan 0.000 0.444 104 D N -0.803 119.594 120.400 -0.005 0.000 2.123 104 D HA -0.079 4.561 4.640 -0.000 0.000 0.200 104 D C 2.071 178.313 176.300 -0.097 0.000 0.976 104 D CA 0.916 54.895 54.000 -0.034 0.000 0.831 104 D CB -0.000 40.773 40.800 -0.044 0.000 0.974 104 D HN 0.113 nan 8.370 nan 0.000 0.469 105 K N -0.223 120.057 120.400 -0.199 0.000 2.063 105 K HA -0.094 4.226 4.320 -0.000 0.000 0.208 105 K C 0.912 177.129 176.600 -0.639 0.000 1.048 105 K CA 1.015 57.015 56.287 -0.479 0.000 0.928 105 K CB -0.210 31.866 32.500 -0.706 0.000 0.713 105 K HN 0.250 nan 8.250 nan 0.000 0.442 106 F N 0.400 120.319 119.950 -0.050 0.000 2.654 106 F HA 0.123 4.650 4.527 0.000 0.000 0.303 106 F C -0.081 175.776 175.800 0.096 0.000 1.099 106 F CA -0.876 57.105 58.000 -0.032 0.000 1.270 106 F CB -0.018 38.946 39.000 -0.060 0.000 1.024 106 F HN 0.026 nan 8.300 nan 0.000 0.548 107 D N 2.033 122.549 120.400 0.194 0.000 2.927 107 D HA -0.234 4.406 4.640 -0.000 0.000 0.236 107 D C -0.573 175.880 176.300 0.255 0.000 1.163 107 D CA 0.503 54.632 54.000 0.216 0.000 0.801 107 D CB -0.930 40.029 40.800 0.265 0.000 0.975 107 D HN 0.323 nan 8.370 nan 0.000 0.413 108 I N 1.177 121.848 120.570 0.168 0.000 2.354 108 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 108 I C 0.470 176.609 176.117 0.037 0.000 0.989 108 I CA -0.761 60.609 61.300 0.116 0.000 1.188 108 I CB 1.630 39.700 38.000 0.115 0.000 1.342 108 I HN 0.033 nan 8.210 nan 0.000 0.457 109 D N 6.251 126.650 120.400 -0.002 0.000 2.485 109 D HA 0.333 4.973 4.640 -0.000 0.000 0.221 109 D C 0.688 176.942 176.300 -0.076 0.000 1.112 109 D CA 0.658 54.640 54.000 -0.030 0.000 0.911 109 D CB 1.025 41.806 40.800 -0.032 0.000 1.019 109 D HN 0.846 nan 8.370 nan 0.000 0.516 110 G N 4.152 112.906 108.800 -0.077 0.000 2.556 110 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.283 110 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.283 110 G C 0.199 174.939 174.900 -0.267 0.000 1.177 110 G CA 0.050 45.072 45.100 -0.131 0.000 0.978 110 G HN 0.647 nan 8.290 nan 0.000 0.554 111 N N 0.341 118.712 118.700 -0.549 0.000 2.667 111 N HA -0.151 4.589 4.740 -0.000 0.000 0.263 111 N C 0.227 175.367 175.510 -0.617 0.000 1.038 111 N CA 1.789 54.113 53.050 -1.209 0.000 0.749 111 N CB -0.695 37.270 38.487 -0.870 0.000 0.892 111 N HN 0.861 nan 8.380 nan 0.000 0.546 112 R N 0.454 120.736 120.500 -0.362 0.000 2.474 112 R HA 0.660 5.000 4.340 -0.000 0.000 0.295 112 R C 0.280 176.465 176.300 -0.191 0.000 0.980 112 R CA -0.580 55.356 56.100 -0.273 0.000 0.934 112 R CB 1.517 31.651 30.300 -0.277 0.000 1.101 112 R HN 0.213 nan 8.270 nan 0.000 0.469 113 I N 2.956 123.293 120.570 -0.390 0.000 2.465 113 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 113 I C -1.019 174.774 176.117 -0.540 0.000 1.014 113 I CA -0.704 60.433 61.300 -0.272 0.000 1.093 113 I CB 1.538 39.450 38.000 -0.147 0.000 1.267 113 I HN 0.384 nan 8.210 nan 0.000 0.431 114 F N 5.591 125.588 119.950 0.077 0.000 2.449 114 F HA 0.362 4.889 4.527 -0.000 0.000 0.342 114 F C -0.510 175.361 175.800 0.118 0.000 1.127 114 F CA -0.692 57.409 58.000 0.169 0.000 0.975 114 F CB 1.147 40.331 39.000 0.307 0.000 1.146 114 F HN 0.283 nan 8.300 nan 0.000 0.444 115 Y N 4.708 125.100 120.300 0.153 0.000 2.342 115 Y HA 0.547 5.096 4.550 -0.000 0.000 0.338 115 Y C -0.579 175.523 175.900 0.338 0.000 0.965 115 Y CA -1.379 56.799 58.100 0.130 0.000 1.159 115 Y CB 1.015 39.434 38.460 -0.069 0.000 1.157 115 Y HN 0.504 nan 8.280 nan 0.000 0.486 116 M N 5.121 124.902 119.600 0.303 0.000 2.069 116 M HA 0.207 4.687 4.480 -0.000 0.000 0.349 116 M C 0.173 176.763 176.300 0.483 0.000 1.194 116 M CA -0.125 55.388 55.300 0.355 0.000 1.081 116 M CB 1.056 33.652 32.600 -0.006 0.000 1.500 116 M HN 0.578 nan 8.290 nan 0.000 0.438 117 S N 3.951 120.027 115.700 0.627 0.000 2.256 117 S HA 0.476 4.946 4.470 -0.000 0.000 0.210 117 S C -0.443 174.434 174.600 0.462 0.000 1.329 117 S CA -0.679 57.854 58.200 0.556 0.000 1.267 117 S CB -0.198 63.297 63.200 0.492 0.000 1.086 117 S HN 0.569 nan 8.310 nan 0.000 0.468 118 V N -0.648 119.587 119.914 0.535 0.000 3.164 118 V HA 0.968 5.088 4.120 -0.000 0.000 0.313 118 V C 0.329 176.638 176.094 0.359 0.000 1.188 118 V CA -1.199 61.358 62.300 0.428 0.000 1.058 118 V CB 0.723 32.796 31.823 0.417 0.000 1.110 118 V HN 0.418 nan 8.190 nan 0.000 0.453 119 A N 1.705 124.723 122.820 0.329 0.000 2.540 119 A HA 0.431 4.751 4.320 -0.000 0.000 0.239 119 A C -0.802 176.583 177.584 -0.332 0.000 1.061 119 A CA -0.311 51.778 52.037 0.086 0.000 0.758 119 A CB -0.457 18.645 19.000 0.170 0.000 0.991 119 A HN 0.877 nan 8.150 nan 0.000 0.502 120 P HA -0.196 nan 4.420 nan 0.000 0.221 120 P C 0.992 177.755 177.300 -0.894 0.000 1.145 120 P CA 1.136 63.369 63.100 -1.444 0.000 0.795 120 P CB 0.064 31.291 31.700 -0.788 0.000 0.775 121 R N -0.955 119.124 120.500 -0.702 0.000 2.127 121 R HA -0.082 4.258 4.340 -0.000 0.000 0.238 121 R C 1.976 177.935 176.300 -0.568 0.000 1.134 121 R CA 1.298 56.995 56.100 -0.672 0.000 0.975 121 R CB -0.833 28.905 30.300 -0.937 0.000 0.865 121 R HN 0.258 nan 8.270 nan 0.000 0.447 122 F N -1.064 118.792 119.950 -0.157 0.000 2.789 122 F HA 0.098 4.625 4.527 -0.000 0.000 0.300 122 F C 1.464 177.328 175.800 0.106 0.000 1.132 122 F CA -0.166 57.829 58.000 -0.008 0.000 1.404 122 F CB -0.211 38.821 39.000 0.054 0.000 1.114 122 F HN -0.156 nan 8.300 nan 0.000 0.584 123 F N 1.023 121.004 119.950 0.052 0.000 2.065 123 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 123 F C 2.586 178.343 175.800 -0.072 0.000 1.112 123 F CA 1.130 59.111 58.000 -0.031 0.000 1.212 123 F CB -1.555 37.381 39.000 -0.106 0.000 0.975 123 F HN 0.060 nan 8.300 nan 0.000 0.476 124 G N -1.111 107.745 108.800 0.094 0.000 2.402 124 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 124 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 124 G C 1.710 176.581 174.900 -0.050 0.000 1.162 124 G CA 1.387 46.476 45.100 -0.018 0.000 0.777 124 G HN 0.345 nan 8.290 nan 0.000 0.539 125 T N 1.590 116.135 114.554 -0.014 0.000 2.652 125 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 125 T C 2.390 177.062 174.700 -0.047 0.000 1.039 125 T CA 1.188 63.251 62.100 -0.063 0.000 1.153 125 T CB -0.220 68.721 68.868 0.122 0.000 0.863 125 T HN 0.244 nan 8.240 nan 0.000 0.428 126 I N 1.459 122.088 120.570 0.099 0.000 2.208 126 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 126 I C 2.957 179.054 176.117 -0.034 0.000 1.097 126 I CA 1.167 62.511 61.300 0.074 0.000 1.363 126 I CB -0.592 37.329 38.000 -0.132 0.000 1.051 126 I HN 0.210 nan 8.210 nan 0.000 0.413 127 A N 1.199 124.001 122.820 -0.030 0.000 1.865 127 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 127 A C 2.323 179.874 177.584 -0.055 0.000 1.191 127 A CA 2.000 54.055 52.037 0.030 0.000 0.623 127 A CB -0.579 18.457 19.000 0.060 0.000 0.826 127 A HN 0.341 nan 8.150 nan 0.000 0.444 128 K N -1.492 118.811 120.400 -0.162 0.000 2.032 128 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 128 K C 1.922 178.362 176.600 -0.267 0.000 1.048 128 K CA 1.908 58.044 56.287 -0.250 0.000 0.927 128 K CB -0.487 31.792 32.500 -0.369 0.000 0.712 128 K HN 0.548 nan 8.250 nan 0.000 0.441 129 Y N 1.341 121.469 120.300 -0.285 0.000 2.224 129 Y HA -0.136 4.414 4.550 -0.000 0.000 0.289 129 Y C 2.044 177.693 175.900 -0.418 0.000 1.146 129 Y CA 0.692 58.488 58.100 -0.507 0.000 1.182 129 Y CB -0.593 37.184 38.460 -1.139 0.000 0.983 129 Y HN 0.012 nan 8.280 nan 0.000 0.524 130 L N -0.199 120.940 121.223 -0.140 0.000 2.079 130 L HA -0.285 4.055 4.340 -0.000 0.000 0.210 130 L C 2.538 179.309 176.870 -0.166 0.000 1.081 130 L CA 1.765 56.513 54.840 -0.154 0.000 0.752 130 L CB -0.447 41.463 42.059 -0.248 0.000 0.896 130 L HN 0.193 nan 8.230 nan 0.000 0.433 131 K N -0.268 120.026 120.400 -0.177 0.000 2.005 131 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 131 K C 2.287 178.827 176.600 -0.099 0.000 1.044 131 K CA 1.373 57.558 56.287 -0.169 0.000 0.942 131 K CB 0.094 32.481 32.500 -0.189 0.000 0.727 131 K HN 0.111 nan 8.250 nan 0.000 0.439 132 S N 1.750 117.404 115.700 -0.077 0.000 2.377 132 S HA -0.148 4.322 4.470 -0.000 0.000 0.224 132 S C 1.380 175.972 174.600 -0.014 0.000 1.042 132 S CA 1.611 59.793 58.200 -0.029 0.000 1.086 132 S CB -0.398 62.819 63.200 0.029 0.000 0.995 132 S HN 0.377 nan 8.310 nan 0.000 0.428 133 E N 0.794 120.985 120.200 -0.014 0.000 2.526 133 E HA 0.147 4.497 4.350 -0.000 0.000 0.198 133 E C 1.131 177.745 176.600 0.024 0.000 1.091 133 E CA 0.489 56.895 56.400 0.009 0.000 0.880 133 E CB -0.979 28.735 29.700 0.024 0.000 0.873 133 E HN 0.619 nan 8.360 nan 0.000 0.527 134 G N 1.708 110.508 108.800 0.000 0.000 2.314 134 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.292 134 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.292 134 G C 0.662 175.585 174.900 0.038 0.000 1.059 134 G CA 0.224 45.329 45.100 0.007 0.000 0.982 134 G HN 0.299 nan 8.290 nan 0.000 0.505 135 L N -1.009 120.237 121.223 0.039 0.000 2.375 135 L HA 0.254 4.594 4.340 -0.000 0.000 0.215 135 L C 1.978 178.946 176.870 0.163 0.000 1.108 135 L CA 0.795 55.699 54.840 0.108 0.000 0.830 135 L CB -0.510 41.606 42.059 0.095 0.000 0.959 135 L HN 0.379 nan 8.230 nan 0.000 0.457 136 L N 0.574 121.832 121.223 0.058 0.000 2.416 136 L HA 0.189 4.529 4.340 -0.000 0.000 0.272 136 L C 0.795 177.728 176.870 0.105 0.000 1.161 136 L CA -0.319 54.584 54.840 0.105 0.000 0.845 136 L CB 0.494 42.523 42.059 -0.051 0.000 1.119 136 L HN 0.037 nan 8.230 nan 0.000 0.464 137 A N 1.835 124.733 122.820 0.131 0.000 2.407 137 A HA 0.094 4.414 4.320 -0.000 0.000 0.248 137 A C 0.567 178.170 177.584 0.032 0.000 1.082 137 A CA -0.388 51.687 52.037 0.063 0.000 0.785 137 A CB 0.280 19.296 19.000 0.027 0.000 1.020 137 A HN 0.812 nan 8.150 nan 0.000 0.489 138 D N -0.294 120.116 120.400 0.017 0.000 2.323 138 D HA 0.079 4.719 4.640 -0.000 0.000 0.209 138 D C 0.955 177.259 176.300 0.007 0.000 0.973 138 D CA 1.762 55.768 54.000 0.009 0.000 0.874 138 D CB 0.209 41.013 40.800 0.006 0.000 0.930 138 D HN 0.764 nan 8.370 nan 0.000 0.521 139 T N -4.573 109.981 114.554 -0.001 0.000 2.838 139 T HA 0.625 4.975 4.350 -0.000 0.000 0.292 139 T C 0.728 175.412 174.700 -0.027 0.000 1.113 139 T CA -0.420 61.678 62.100 -0.004 0.000 1.008 139 T CB 1.893 70.757 68.868 -0.007 0.000 1.259 139 T HN 0.124 nan 8.240 nan 0.000 0.520 140 G N 0.542 109.330 108.800 -0.021 0.000 2.601 140 G HA2 0.010 3.970 3.960 -0.000 0.000 0.261 140 G HA3 0.010 3.970 3.960 -0.000 0.000 0.261 140 G C -0.558 174.337 174.900 -0.008 0.000 1.289 140 G CA 0.388 45.446 45.100 -0.069 0.000 0.920 140 G HN 1.818 nan 8.290 nan 0.000 0.571 141 Y N -0.536 119.798 120.300 0.057 0.000 2.596 141 Y HA 0.832 5.382 4.550 0.000 0.000 0.326 141 Y C 0.172 176.138 175.900 0.109 0.000 1.167 141 Y CA -1.494 56.654 58.100 0.080 0.000 1.246 141 Y CB 1.230 39.736 38.460 0.076 0.000 1.347 141 Y HN 0.578 nan 8.280 nan 0.000 0.515 142 N N 1.446 120.417 118.700 0.452 0.000 2.430 142 N HA 0.418 5.158 4.740 -0.000 0.000 0.290 142 N C -1.549 174.306 175.510 0.575 0.000 1.063 142 N CA -0.773 52.565 53.050 0.478 0.000 0.883 142 N CB 2.294 41.017 38.487 0.394 0.000 1.465 142 N HN 0.677 nan 8.380 nan 0.000 0.493 143 R N 0.937 121.742 120.500 0.509 0.000 2.744 143 R HA 0.545 4.885 4.340 -0.000 0.000 0.279 143 R C -1.174 175.230 176.300 0.174 0.000 0.977 143 R CA -0.902 55.380 56.100 0.303 0.000 0.906 143 R CB 2.371 32.685 30.300 0.024 0.000 1.197 143 R HN 0.304 nan 8.270 nan 0.000 0.463 144 L N 2.830 124.002 121.223 -0.085 0.000 2.325 144 L HA 0.508 4.848 4.340 -0.000 0.000 0.281 144 L C -1.067 175.705 176.870 -0.163 0.000 1.004 144 L CA -0.216 54.476 54.840 -0.247 0.000 0.823 144 L CB 1.699 43.241 42.059 -0.861 0.000 1.236 144 L HN 0.588 nan 8.230 nan 0.000 0.415 145 M N 6.515 125.993 119.600 -0.204 0.000 2.129 145 M HA 0.435 4.915 4.480 -0.000 0.000 0.348 145 M C -1.123 174.951 176.300 -0.377 0.000 1.116 145 M CA -0.363 54.758 55.300 -0.297 0.000 1.022 145 M CB 1.243 33.521 32.600 -0.537 0.000 1.599 145 M HN 0.432 nan 8.290 nan 0.000 0.449 146 I N 2.181 122.607 120.570 -0.240 0.000 2.362 146 I HA 0.284 4.454 4.170 -0.000 0.000 0.289 146 I C 0.146 176.200 176.117 -0.104 0.000 0.994 146 I CA -0.543 60.575 61.300 -0.302 0.000 1.158 146 I CB 1.351 39.204 38.000 -0.246 0.000 1.315 146 I HN 0.520 nan 8.210 nan 0.000 0.451 147 E N 6.067 126.232 120.200 -0.058 0.000 2.345 147 E HA 0.192 4.542 4.350 -0.000 0.000 0.259 147 E C -0.186 176.640 176.600 0.377 0.000 1.117 147 E CA -0.534 56.018 56.400 0.253 0.000 0.913 147 E CB 0.735 30.676 29.700 0.402 0.000 1.057 147 E HN 0.406 nan 8.360 nan 0.000 0.432 148 K N 3.314 123.960 120.400 0.409 0.000 2.219 148 K HA 0.215 4.535 4.320 -0.000 0.000 0.258 148 K C -2.190 174.653 176.600 0.406 0.000 1.008 148 K CA -1.058 55.475 56.287 0.410 0.000 0.928 148 K CB 0.241 32.955 32.500 0.357 0.000 0.983 148 K HN 0.406 nan 8.250 nan 0.000 0.484 149 P HA 0.224 nan 4.420 nan 0.000 0.284 149 P C -1.101 176.500 177.300 0.502 0.000 1.292 149 P CA -0.488 62.855 63.100 0.405 0.000 0.800 149 P CB 0.390 32.305 31.700 0.358 0.000 1.188 150 F N 0.041 120.231 119.950 0.400 0.000 2.449 150 F HA 0.509 5.036 4.527 -0.000 0.000 0.344 150 F C 0.470 176.517 175.800 0.411 0.000 1.180 150 F CA 0.596 58.834 58.000 0.397 0.000 1.209 150 F CB -0.079 39.138 39.000 0.361 0.000 1.440 150 F HN 0.773 nan 8.300 nan 0.000 0.526 151 G N 2.144 111.033 108.800 0.149 0.000 2.728 151 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.294 151 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.294 151 G C 0.218 175.043 174.900 -0.125 0.000 1.342 151 G CA -0.176 44.867 45.100 -0.096 0.000 0.866 151 G HN 0.947 nan 8.290 nan 0.000 0.534 152 T N -3.173 111.070 114.554 -0.518 0.000 3.144 152 T HA 0.689 5.039 4.350 -0.000 0.000 0.290 152 T C 0.477 174.597 174.700 -0.968 0.000 0.966 152 T CA 1.272 63.080 62.100 -0.487 0.000 0.907 152 T CB -0.218 68.553 68.868 -0.161 0.000 1.152 152 T HN 2.488 nan 8.240 nan 0.000 0.532 153 S N -0.511 114.265 115.700 -1.539 0.000 2.656 153 S HA 0.362 4.832 4.470 -0.000 0.000 0.265 153 S C 0.028 174.092 174.600 -0.892 0.000 1.110 153 S CA -0.751 56.856 58.200 -0.988 0.000 0.821 153 S CB 0.449 63.419 63.200 -0.384 0.000 1.099 153 S HN -0.001 nan 8.310 nan 0.000 0.471 154 Y N 1.450 121.554 120.300 -0.326 0.000 2.165 154 Y HA -0.101 4.449 4.550 -0.000 0.000 0.286 154 Y C 1.682 177.538 175.900 -0.074 0.000 1.155 154 Y CA 2.537 60.586 58.100 -0.085 0.000 1.164 154 Y CB -0.562 37.934 38.460 0.061 0.000 0.978 154 Y HN 0.752 nan 8.280 nan 0.000 0.513 155 D N -0.567 119.648 120.400 -0.309 0.000 2.078 155 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 155 D C 2.314 178.423 176.300 -0.318 0.000 0.990 155 D CA 2.668 56.482 54.000 -0.311 0.000 0.827 155 D CB -0.841 39.867 40.800 -0.153 0.000 0.975 155 D HN 0.549 nan 8.370 nan 0.000 0.451 156 T N -0.190 114.175 114.554 -0.314 0.000 2.720 156 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 156 T C 2.125 176.654 174.700 -0.284 0.000 1.037 156 T CA 1.880 63.807 62.100 -0.288 0.000 1.144 156 T CB -0.526 68.162 68.868 -0.301 0.000 0.864 156 T HN 0.132 nan 8.240 nan 0.000 0.444 157 A N 2.163 124.798 122.820 -0.307 0.000 1.877 157 A HA 0.287 4.607 4.320 -0.000 0.000 0.216 157 A C 2.873 180.473 177.584 0.028 0.000 1.186 157 A CA 2.082 54.099 52.037 -0.032 0.000 0.620 157 A CB -1.477 17.634 19.000 0.184 0.000 0.822 157 A HN 0.763 nan 8.150 nan 0.000 0.443 158 A N -0.438 122.316 122.820 -0.111 0.000 1.902 158 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 158 A C 2.034 179.455 177.584 -0.271 0.000 1.181 158 A CA 1.922 53.836 52.037 -0.205 0.000 0.623 158 A CB -0.576 18.183 19.000 -0.401 0.000 0.818 158 A HN 0.693 nan 8.150 nan 0.000 0.443 159 E N -0.319 119.737 120.200 -0.239 0.000 2.051 159 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 159 E C 1.988 178.458 176.600 -0.217 0.000 0.991 159 E CA 1.136 57.413 56.400 -0.206 0.000 0.799 159 E CB -0.225 29.362 29.700 -0.189 0.000 0.748 159 E HN 0.596 nan 8.360 nan 0.000 0.449 160 L N 0.720 121.794 121.223 -0.248 0.000 1.989 160 L HA -0.280 4.060 4.340 -0.000 0.000 0.211 160 L C 2.772 179.483 176.870 -0.264 0.000 1.071 160 L CA 1.956 56.626 54.840 -0.283 0.000 0.749 160 L CB -0.352 41.428 42.059 -0.465 0.000 0.890 160 L HN 0.280 nan 8.230 nan 0.000 0.431 161 Q N 0.558 120.182 119.800 -0.294 0.000 2.045 161 Q HA -0.315 4.025 4.340 -0.000 0.000 0.206 161 Q C 1.921 177.733 176.000 -0.312 0.000 0.991 161 Q CA 2.619 58.206 55.803 -0.362 0.000 0.851 161 Q CB -0.598 27.538 28.738 -1.004 0.000 0.911 161 Q HN 0.528 nan 8.270 nan 0.000 0.418 162 N N -0.658 117.864 118.700 -0.297 0.000 2.061 162 N HA -0.206 4.534 4.740 -0.000 0.000 0.193 162 N C 1.033 176.456 175.510 -0.145 0.000 1.030 162 N CA 1.647 54.575 53.050 -0.203 0.000 0.856 162 N CB -0.180 38.207 38.487 -0.166 0.000 1.023 162 N HN 0.304 nan 8.380 nan 0.000 0.424 163 D N 1.120 121.435 120.400 -0.142 0.000 2.087 163 D HA -0.128 4.512 4.640 -0.000 0.000 0.192 163 D C 2.215 178.473 176.300 -0.070 0.000 0.993 163 D CA 0.707 54.641 54.000 -0.110 0.000 0.828 163 D CB -0.534 40.197 40.800 -0.115 0.000 0.968 163 D HN 0.306 nan 8.370 nan 0.000 0.448 164 L N 0.907 122.092 121.223 -0.063 0.000 2.081 164 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 164 L C 2.053 178.973 176.870 0.083 0.000 1.080 164 L CA 1.217 56.068 54.840 0.019 0.000 0.754 164 L CB -0.506 41.543 42.059 -0.017 0.000 0.893 164 L HN 0.087 nan 8.230 nan 0.000 0.433 165 E N -0.149 120.044 120.200 -0.011 0.000 2.515 165 E HA -0.163 4.187 4.350 -0.000 0.000 0.201 165 E C 1.369 177.960 176.600 -0.015 0.000 1.071 165 E CA 0.215 56.610 56.400 -0.007 0.000 0.880 165 E CB -0.126 29.531 29.700 -0.072 0.000 0.828 165 E HN 0.449 nan 8.360 nan 0.000 0.540 166 N N 0.307 118.993 118.700 -0.025 0.000 2.300 166 N HA -0.046 4.694 4.740 -0.000 0.000 0.179 166 N C 1.199 176.650 175.510 -0.098 0.000 1.016 166 N CA 1.124 54.137 53.050 -0.063 0.000 0.876 166 N CB 0.234 38.673 38.487 -0.080 0.000 0.979 166 N HN 0.148 nan 8.380 nan 0.000 0.432 167 A N -1.822 120.934 122.820 -0.107 0.000 2.358 167 A HA 0.376 4.696 4.320 -0.000 0.000 0.223 167 A C -0.303 176.910 177.584 -0.619 0.000 1.218 167 A CA -0.111 51.698 52.037 -0.380 0.000 0.942 167 A CB 0.373 19.059 19.000 -0.522 0.000 1.005 167 A HN 0.089 nan 8.150 nan 0.000 0.514 168 F N -0.035 119.897 119.950 -0.030 0.000 2.599 168 F HA 0.478 5.005 4.527 -0.000 0.000 0.311 168 F C -0.701 175.088 175.800 -0.019 0.000 1.076 168 F CA -1.190 56.807 58.000 -0.005 0.000 0.937 168 F CB 1.345 40.352 39.000 0.011 0.000 1.282 168 F HN -0.118 nan 8.300 nan 0.000 0.460 169 D N 0.634 121.152 120.400 0.196 0.000 2.253 169 D HA 0.076 4.716 4.640 -0.000 0.000 0.249 169 D C 0.603 176.947 176.300 0.074 0.000 1.049 169 D CA -0.017 54.039 54.000 0.092 0.000 0.929 169 D CB 1.608 42.447 40.800 0.065 0.000 1.176 169 D HN 0.697 nan 8.370 nan 0.000 0.437 170 D N 0.846 121.258 120.400 0.019 0.000 2.228 170 D HA -0.212 4.428 4.640 -0.000 0.000 0.203 170 D C 1.199 177.448 176.300 -0.085 0.000 0.988 170 D CA 1.383 55.371 54.000 -0.020 0.000 0.864 170 D CB -0.032 40.770 40.800 0.004 0.000 0.928 170 D HN 0.537 nan 8.370 nan 0.000 0.469 171 N N -1.208 117.452 118.700 -0.067 0.000 2.461 171 N HA -0.053 4.687 4.740 -0.000 0.000 0.188 171 N C 1.202 176.629 175.510 -0.139 0.000 1.134 171 N CA 0.223 53.190 53.050 -0.138 0.000 0.878 171 N CB 0.129 38.575 38.487 -0.069 0.000 0.972 171 N HN 0.238 nan 8.380 nan 0.000 0.456 172 Q N -0.081 119.708 119.800 -0.019 0.000 2.281 172 Q HA 0.294 4.634 4.340 -0.000 0.000 0.215 172 Q C -0.314 175.755 176.000 0.115 0.000 0.867 172 Q CA -0.132 55.773 55.803 0.171 0.000 0.940 172 Q CB 0.823 29.758 28.738 0.329 0.000 1.111 172 Q HN 0.412 nan 8.270 nan 0.000 0.513 173 L N 1.171 122.314 121.223 -0.132 0.000 2.305 173 L HA 0.349 4.689 4.340 -0.000 0.000 0.281 173 L C -0.763 175.889 176.870 -0.362 0.000 1.085 173 L CA -0.311 54.432 54.840 -0.161 0.000 0.813 173 L CB 0.498 42.478 42.059 -0.131 0.000 1.157 173 L HN 0.002 nan 8.230 nan 0.000 0.436 174 F N 2.340 122.122 119.950 -0.280 0.000 2.552 174 F HA 0.405 4.932 4.527 -0.000 0.000 0.369 174 F C 0.285 176.022 175.800 -0.105 0.000 1.112 174 F CA -0.666 57.109 58.000 -0.375 0.000 1.129 174 F CB 0.876 39.446 39.000 -0.716 0.000 1.360 174 F HN 0.332 nan 8.300 nan 0.000 0.473 175 R N 3.310 123.892 120.500 0.137 0.000 2.347 175 R HA 0.467 4.807 4.340 -0.000 0.000 0.304 175 R C -0.438 176.065 176.300 0.338 0.000 1.072 175 R CA -0.292 55.919 56.100 0.185 0.000 0.980 175 R CB 0.909 31.224 30.300 0.025 0.000 0.986 175 R HN 0.529 nan 8.270 nan 0.000 0.448 176 I N 2.422 123.173 120.570 0.302 0.000 2.371 176 I HA 0.073 4.243 4.170 -0.000 0.000 0.290 176 I C 0.048 176.329 176.117 0.273 0.000 1.028 176 I CA 0.123 61.616 61.300 0.321 0.000 1.345 176 I CB 0.957 39.156 38.000 0.332 0.000 1.407 176 I HN 0.497 nan 8.210 nan 0.000 0.501 177 D N 5.770 126.287 120.400 0.195 0.000 2.336 177 D HA 0.059 4.699 4.640 -0.000 0.000 0.248 177 D C 1.046 177.426 176.300 0.133 0.000 1.326 177 D CA -0.363 53.771 54.000 0.224 0.000 0.973 177 D CB 0.731 41.624 40.800 0.155 0.000 1.255 177 D HN 0.635 nan 8.370 nan 0.000 0.558 178 H N 2.492 121.614 119.070 0.088 0.000 2.489 178 H HA -0.166 4.390 4.556 -0.000 0.000 0.295 178 H C 0.396 175.705 175.328 -0.032 0.000 1.082 178 H CA 0.924 56.894 56.048 -0.129 0.000 1.295 178 H CB -0.099 29.466 29.762 -0.328 0.000 1.380 178 H HN 0.390 nan 8.280 nan 0.000 0.548 179 Y N 0.690 120.691 120.300 -0.498 0.000 2.274 179 Y HA -0.076 4.474 4.550 -0.000 0.000 0.290 179 Y C 2.436 178.259 175.900 -0.128 0.000 1.145 179 Y CA 0.562 58.460 58.100 -0.336 0.000 1.203 179 Y CB -0.241 38.021 38.460 -0.330 0.000 0.984 179 Y HN 0.176 nan 8.280 nan 0.000 0.533 180 L N -0.938 120.328 121.223 0.072 0.000 2.456 180 L HA -0.008 4.332 4.340 -0.000 0.000 0.224 180 L C 2.270 179.119 176.870 -0.035 0.000 1.148 180 L CA 1.456 56.330 54.840 0.058 0.000 0.825 180 L CB -0.993 41.075 42.059 0.015 0.000 0.937 180 L HN 0.187 nan 8.230 nan 0.000 0.450 181 G N -1.642 107.109 108.800 -0.082 0.000 3.042 181 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.212 181 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.212 181 G C 0.700 175.556 174.900 -0.073 0.000 1.166 181 G CA -0.305 44.736 45.100 -0.097 0.000 0.767 181 G HN 0.235 nan 8.290 nan 0.000 0.546 182 K N 1.041 121.390 120.400 -0.084 0.000 2.298 182 K HA 0.176 4.496 4.320 -0.000 0.000 0.280 182 K C 0.870 177.425 176.600 -0.075 0.000 1.032 182 K CA -0.426 55.807 56.287 -0.090 0.000 0.958 182 K CB 1.331 33.747 32.500 -0.141 0.000 0.978 182 K HN -0.134 nan 8.250 nan 0.000 0.472 183 E N 2.392 122.559 120.200 -0.055 0.000 2.065 183 E HA -0.226 4.124 4.350 -0.000 0.000 0.201 183 E C 1.667 178.229 176.600 -0.065 0.000 1.016 183 E CA 1.774 58.146 56.400 -0.046 0.000 0.818 183 E CB 0.042 29.734 29.700 -0.013 0.000 0.749 183 E HN 0.589 nan 8.360 nan 0.000 0.453 184 M N 0.077 119.647 119.600 -0.050 0.000 2.213 184 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 184 M C 2.369 178.606 176.300 -0.106 0.000 1.062 184 M CA 0.740 56.011 55.300 -0.049 0.000 1.105 184 M CB -0.865 31.725 32.600 -0.016 0.000 1.385 184 M HN -0.037 nan 8.290 nan 0.000 0.417 185 V N -0.023 119.819 119.914 -0.120 0.000 2.626 185 V HA -0.228 3.892 4.120 -0.000 0.000 0.252 185 V C 2.038 177.911 176.094 -0.369 0.000 1.067 185 V CA 1.360 63.556 62.300 -0.173 0.000 1.081 185 V CB -0.654 31.118 31.823 -0.085 0.000 0.686 185 V HN 0.537 nan 8.190 nan 0.000 0.468 186 Q N -0.612 119.005 119.800 -0.305 0.000 2.444 186 Q HA 0.039 4.379 4.340 -0.000 0.000 0.206 186 Q C 1.721 177.513 176.000 -0.347 0.000 0.948 186 Q CA 0.209 55.777 55.803 -0.391 0.000 0.946 186 Q CB -0.039 28.577 28.738 -0.203 0.000 1.027 186 Q HN 0.642 nan 8.270 nan 0.000 0.513 187 N N 0.298 118.833 118.700 -0.275 0.000 2.424 187 N HA 0.030 4.770 4.740 -0.000 0.000 0.178 187 N C 1.525 176.862 175.510 -0.289 0.000 1.060 187 N CA 0.360 53.268 53.050 -0.237 0.000 0.901 187 N CB 0.308 38.696 38.487 -0.166 0.000 0.979 187 N HN 0.279 nan 8.380 nan 0.000 0.451 188 I N 1.516 121.877 120.570 -0.347 0.000 2.091 188 I HA -0.295 3.875 4.170 -0.000 0.000 0.239 188 I C 2.496 178.347 176.117 -0.442 0.000 1.061 188 I CA 1.295 62.395 61.300 -0.334 0.000 1.317 188 I CB -0.360 37.472 38.000 -0.279 0.000 1.031 188 I HN 0.061 nan 8.210 nan 0.000 0.401 189 A N 0.530 123.064 122.820 -0.476 0.000 1.972 189 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 189 A C 2.510 179.852 177.584 -0.404 0.000 1.169 189 A CA 1.851 53.644 52.037 -0.407 0.000 0.635 189 A CB -0.788 18.258 19.000 0.076 0.000 0.810 189 A HN 0.475 nan 8.150 nan 0.000 0.446 190 A N -0.535 122.086 122.820 -0.331 0.000 1.855 190 A HA 0.005 4.325 4.320 -0.000 0.000 0.215 190 A C 2.006 179.444 177.584 -0.244 0.000 1.191 190 A CA 1.658 53.532 52.037 -0.273 0.000 0.613 190 A CB -0.603 18.258 19.000 -0.233 0.000 0.829 190 A HN 0.387 nan 8.150 nan 0.000 0.442 191 L N -0.151 120.917 121.223 -0.258 0.000 2.012 191 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 191 L C 2.603 179.362 176.870 -0.185 0.000 1.073 191 L CA 2.352 57.080 54.840 -0.188 0.000 0.748 191 L CB -0.907 41.023 42.059 -0.214 0.000 0.891 191 L HN 0.558 nan 8.230 nan 0.000 0.431 192 R N -1.418 118.789 120.500 -0.489 0.000 2.055 192 R HA -0.144 4.196 4.340 -0.000 0.000 0.228 192 R C 2.210 178.245 176.300 -0.441 0.000 1.143 192 R CA 1.506 57.183 56.100 -0.706 0.000 0.945 192 R CB -0.307 29.024 30.300 -1.614 0.000 0.841 192 R HN 0.209 nan 8.270 nan 0.000 0.429 193 F N -0.147 119.656 119.950 -0.246 0.000 2.710 193 F HA 0.243 4.770 4.527 -0.000 0.000 0.298 193 F C 2.043 177.750 175.800 -0.155 0.000 1.137 193 F CA 0.760 58.650 58.000 -0.184 0.000 1.444 193 F CB -0.314 38.565 39.000 -0.202 0.000 1.111 193 F HN 0.224 nan 8.300 nan 0.000 0.580 194 G N -0.899 107.888 108.800 -0.022 0.000 3.042 194 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.212 194 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.212 194 G C 0.350 175.232 174.900 -0.029 0.000 1.166 194 G CA -0.095 44.978 45.100 -0.044 0.000 0.767 194 G HN 0.120 nan 8.290 nan 0.000 0.546 195 N N 0.321 119.022 118.700 0.002 0.000 2.576 195 N HA 0.223 4.963 4.740 -0.000 0.000 0.269 195 N C -2.377 173.115 175.510 -0.029 0.000 1.058 195 N CA -1.088 51.954 53.050 -0.014 0.000 0.860 195 N CB 2.624 41.143 38.487 0.053 0.000 1.249 195 N HN -0.201 nan 8.380 nan 0.000 0.525 196 P HA -0.170 nan 4.420 nan 0.000 0.217 196 P C 1.691 178.926 177.300 -0.109 0.000 1.151 196 P CA 1.150 64.215 63.100 -0.058 0.000 0.849 196 P CB 0.191 31.850 31.700 -0.068 0.000 0.787 197 I N -5.922 114.512 120.570 -0.227 0.000 2.335 197 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 197 I C 1.681 177.602 176.117 -0.327 0.000 1.129 197 I CA 1.905 62.993 61.300 -0.354 0.000 1.402 197 I CB -1.003 36.691 38.000 -0.511 0.000 1.069 197 I HN -0.178 nan 8.210 nan 0.000 0.424 198 F N 1.546 121.492 119.950 -0.007 0.000 2.262 198 F HA 0.002 4.529 4.527 -0.000 0.000 0.292 198 F C 2.274 178.187 175.800 0.188 0.000 1.081 198 F CA 1.037 59.117 58.000 0.133 0.000 1.355 198 F CB -0.966 38.153 39.000 0.198 0.000 1.069 198 F HN 0.095 nan 8.300 nan 0.000 0.506 199 D N 0.458 120.996 120.400 0.229 0.000 2.116 199 D HA -0.196 4.444 4.640 -0.000 0.000 0.193 199 D C 2.205 178.608 176.300 0.170 0.000 0.998 199 D CA 1.585 55.680 54.000 0.159 0.000 0.836 199 D CB -0.225 40.642 40.800 0.113 0.000 0.951 199 D HN 0.145 nan 8.370 nan 0.000 0.449 200 A N -0.189 122.674 122.820 0.071 0.000 2.066 200 A HA 0.212 4.532 4.320 -0.000 0.000 0.218 200 A C 2.097 179.677 177.584 -0.007 0.000 1.157 200 A CA 1.606 53.653 52.037 0.017 0.000 0.670 200 A CB -0.382 18.579 19.000 -0.066 0.000 0.804 200 A HN 0.288 nan 8.150 nan 0.000 0.453 201 A N -2.523 120.286 122.820 -0.018 0.000 2.308 201 A HA 0.164 4.484 4.320 -0.000 0.000 0.217 201 A C 0.862 178.647 177.584 0.334 0.000 1.216 201 A CA -0.388 51.615 52.037 -0.057 0.000 0.864 201 A CB -0.374 18.469 19.000 -0.261 0.000 0.902 201 A HN 0.680 nan 8.150 nan 0.000 0.499 202 W N 2.745 124.124 121.300 0.133 0.000 1.496 202 W HA 0.260 4.920 4.660 -0.000 0.000 0.422 202 W C -0.505 175.950 176.519 -0.107 0.000 0.638 202 W CA 0.092 57.514 57.345 0.128 0.000 2.105 202 W CB -0.427 29.101 29.460 0.114 0.000 1.639 202 W HN 0.688 nan 8.180 nan 0.000 0.304 203 N N -0.882 117.802 118.700 -0.028 0.000 3.179 203 N HA 0.152 4.892 4.740 -0.000 0.000 0.250 203 N C 0.305 175.762 175.510 -0.087 0.000 1.507 203 N CA -0.671 52.199 53.050 -0.301 0.000 0.883 203 N CB 0.240 38.634 38.487 -0.155 0.000 1.435 203 N HN -0.138 nan 8.380 nan 0.000 0.532 204 K N -1.446 118.892 120.400 -0.104 0.000 2.360 204 K HA 0.004 4.324 4.320 -0.000 0.000 0.201 204 K C 0.058 176.654 176.600 -0.007 0.000 1.046 204 K CA 1.458 57.753 56.287 0.013 0.000 0.945 204 K CB -0.225 32.291 32.500 0.027 0.000 0.750 204 K HN 0.438 nan 8.250 nan 0.000 0.464 205 D N -0.455 119.926 120.400 -0.031 0.000 2.277 205 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 205 D C 0.810 176.863 176.300 -0.412 0.000 0.962 205 D CA 1.018 54.894 54.000 -0.208 0.000 0.865 205 D CB 0.087 40.730 40.800 -0.260 0.000 0.939 205 D HN 0.399 nan 8.370 nan 0.000 0.510 206 Y N -0.405 119.946 120.300 0.085 0.000 2.512 206 Y HA 0.326 4.876 4.550 -0.000 0.000 0.268 206 Y C 0.909 176.962 175.900 0.255 0.000 1.102 206 Y CA -0.349 57.850 58.100 0.164 0.000 1.261 206 Y CB 1.053 39.622 38.460 0.182 0.000 1.250 206 Y HN -0.232 nan 8.280 nan 0.000 0.506 207 I N 1.200 121.923 120.570 0.256 0.000 2.342 207 I HA 0.116 4.286 4.170 -0.000 0.000 0.291 207 I C 1.203 177.317 176.117 -0.006 0.000 1.010 207 I CA -0.331 60.998 61.300 0.048 0.000 1.308 207 I CB 1.389 39.332 38.000 -0.095 0.000 1.400 207 I HN -0.036 nan 8.210 nan 0.000 0.488 208 K N 4.788 125.157 120.400 -0.053 0.000 2.021 208 K HA 0.010 4.330 4.320 -0.000 0.000 0.205 208 K C 0.067 176.600 176.600 -0.111 0.000 1.047 208 K CA 1.275 57.535 56.287 -0.045 0.000 0.943 208 K CB -0.016 32.469 32.500 -0.025 0.000 0.725 208 K HN 0.910 nan 8.250 nan 0.000 0.439 209 N N -2.767 115.807 118.700 -0.210 0.000 2.961 209 N HA 0.210 4.950 4.740 -0.000 0.000 0.245 209 N C -1.637 173.598 175.510 -0.457 0.000 1.404 209 N CA -0.875 51.984 53.050 -0.320 0.000 0.880 209 N CB 1.561 39.963 38.487 -0.143 0.000 1.461 209 N HN -0.283 nan 8.380 nan 0.000 0.510 210 V N 0.210 119.725 119.914 -0.665 0.000 2.555 210 V HA 0.531 4.651 4.120 -0.000 0.000 0.302 210 V C -0.696 175.216 176.094 -0.304 0.000 1.038 210 V CA -0.493 61.412 62.300 -0.659 0.000 0.887 210 V CB 1.437 32.515 31.823 -1.241 0.000 0.991 210 V HN 0.670 nan 8.190 nan 0.000 0.434 211 Q N 2.630 122.362 119.800 -0.112 0.000 2.340 211 Q HA 0.726 5.066 4.340 -0.000 0.000 0.268 211 Q C -1.537 174.547 176.000 0.141 0.000 1.031 211 Q CA -0.661 55.215 55.803 0.122 0.000 0.804 211 Q CB 2.929 31.794 28.738 0.212 0.000 1.286 211 Q HN 0.576 nan 8.270 nan 0.000 0.448 212 V N 1.895 121.941 119.914 0.220 0.000 2.444 212 V HA 0.505 4.625 4.120 -0.000 0.000 0.294 212 V C -0.526 175.661 176.094 0.155 0.000 1.022 212 V CA -0.558 61.835 62.300 0.155 0.000 0.850 212 V CB 1.916 33.824 31.823 0.141 0.000 0.992 212 V HN 0.768 nan 8.190 nan 0.000 0.426 213 T N 6.368 120.971 114.554 0.082 0.000 2.840 213 T HA 0.658 5.008 4.350 -0.000 0.000 0.287 213 T C -0.712 173.989 174.700 0.002 0.000 0.991 213 T CA -0.262 61.846 62.100 0.013 0.000 0.964 213 T CB 1.207 70.069 68.868 -0.011 0.000 0.954 213 T HN 0.298 nan 8.240 nan 0.000 0.438 214 L N 4.118 125.346 121.223 0.009 0.000 2.384 214 L HA 0.450 4.790 4.340 -0.000 0.000 0.261 214 L C 0.331 177.231 176.870 0.051 0.000 1.024 214 L CA -0.299 54.573 54.840 0.053 0.000 0.899 214 L CB 0.977 43.079 42.059 0.072 0.000 1.243 214 L HN 0.722 nan 8.230 nan 0.000 0.449 215 S N 1.034 116.766 115.700 0.052 0.000 2.537 215 S HA 0.874 5.344 4.470 -0.000 0.000 0.301 215 S C -0.472 174.189 174.600 0.102 0.000 1.092 215 S CA -0.850 57.401 58.200 0.085 0.000 1.048 215 S CB 2.151 65.413 63.200 0.104 0.000 1.053 215 S HN 0.452 nan 8.310 nan 0.000 0.501 216 E N 0.473 120.745 120.200 0.119 0.000 2.317 216 E HA 0.394 4.744 4.350 -0.000 0.000 0.270 216 E C 0.528 177.190 176.600 0.104 0.000 0.885 216 E CA -1.059 55.407 56.400 0.109 0.000 0.760 216 E CB 2.035 31.803 29.700 0.114 0.000 1.227 216 E HN 0.472 nan 8.360 nan 0.000 0.434 217 V N -0.407 119.563 119.914 0.094 0.000 2.878 217 V HA 0.126 4.246 4.120 -0.000 0.000 0.250 217 V C 0.931 177.074 176.094 0.082 0.000 1.075 217 V CA 0.321 62.683 62.300 0.103 0.000 1.096 217 V CB -0.585 31.306 31.823 0.114 0.000 0.724 217 V HN 0.445 nan 8.190 nan 0.000 0.467 218 L N 1.344 122.596 121.223 0.048 0.000 2.473 218 L HA 0.549 4.889 4.340 -0.000 0.000 0.268 218 L C 1.228 178.068 176.870 -0.049 0.000 1.215 218 L CA 0.575 55.416 54.840 0.001 0.000 0.823 218 L CB 0.008 42.076 42.059 0.015 0.000 1.099 218 L HN 0.325 nan 8.230 nan 0.000 0.483 219 G N -0.050 108.698 108.800 -0.087 0.000 2.606 219 G HA2 0.277 4.237 3.960 -0.000 0.000 0.262 219 G HA3 0.277 4.237 3.960 -0.000 0.000 0.262 219 G C 0.632 175.577 174.900 0.075 0.000 1.394 219 G CA -0.470 44.574 45.100 -0.094 0.000 1.044 219 G HN 0.413 nan 8.290 nan 0.000 0.553 220 V N -0.181 119.898 119.914 0.275 0.000 3.078 220 V HA 0.002 4.122 4.120 -0.000 0.000 0.265 220 V C 1.545 177.694 176.094 0.090 0.000 1.122 220 V CA 2.262 64.656 62.300 0.156 0.000 1.141 220 V CB -1.200 30.843 31.823 0.366 0.000 0.735 220 V HN 0.818 nan 8.190 nan 0.000 0.498 221 E N 0.387 120.635 120.200 0.080 0.000 3.213 221 E HA -0.341 4.009 4.350 -0.000 0.000 0.374 221 E C 0.800 177.438 176.600 0.063 0.000 1.500 221 E CA 2.123 58.554 56.400 0.053 0.000 1.497 221 E CB -1.245 28.483 29.700 0.047 0.000 1.692 221 E HN 0.761 nan 8.360 nan 0.000 0.494 222 E N 0.705 120.948 120.200 0.072 0.000 2.734 222 E HA 0.176 4.526 4.350 -0.000 0.000 0.211 222 E C 0.393 177.059 176.600 0.110 0.000 0.991 222 E CA -0.057 56.388 56.400 0.076 0.000 1.065 222 E CB 0.422 30.157 29.700 0.058 0.000 1.047 222 E HN 0.076 nan 8.360 nan 0.000 0.470 223 R N 0.076 120.665 120.500 0.149 0.000 2.546 223 R HA 0.276 4.616 4.340 -0.000 0.000 0.320 223 R C 1.460 177.928 176.300 0.280 0.000 1.021 223 R CA 0.178 56.412 56.100 0.224 0.000 1.088 223 R CB -0.046 30.420 30.300 0.277 0.000 1.278 223 R HN 0.100 nan 8.270 nan 0.000 0.557 224 A N 0.593 123.539 122.820 0.211 0.000 1.958 224 A HA -0.179 4.141 4.320 -0.000 0.000 0.221 224 A C 2.253 179.956 177.584 0.199 0.000 1.178 224 A CA 2.068 54.233 52.037 0.214 0.000 0.642 224 A CB -1.077 17.981 19.000 0.096 0.000 0.816 224 A HN 0.432 nan 8.150 nan 0.000 0.453 225 G N -1.457 107.448 108.800 0.176 0.000 2.446 225 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 225 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 225 G C 1.576 176.590 174.900 0.191 0.000 1.168 225 G CA 1.480 46.674 45.100 0.157 0.000 0.771 225 G HN 0.711 nan 8.290 nan 0.000 0.551 226 Y N -0.333 120.062 120.300 0.157 0.000 2.176 226 Y HA 0.022 4.572 4.550 -0.000 0.000 0.291 226 Y C 2.498 178.521 175.900 0.206 0.000 1.122 226 Y CA 1.192 59.390 58.100 0.164 0.000 1.128 226 Y CB -0.635 37.930 38.460 0.176 0.000 1.005 226 Y HN 0.187 nan 8.280 nan 0.000 0.509 227 Y N 1.415 121.598 120.300 -0.195 0.000 2.207 227 Y HA -0.250 4.300 4.550 -0.000 0.000 0.287 227 Y C 2.138 177.977 175.900 -0.102 0.000 1.156 227 Y CA 2.191 60.155 58.100 -0.226 0.000 1.182 227 Y CB -0.752 37.776 38.460 0.113 0.000 0.979 227 Y HN 0.384 nan 8.280 nan 0.000 0.521 228 D N -1.408 119.034 120.400 0.070 0.000 2.263 228 D HA -0.158 4.482 4.640 -0.000 0.000 0.208 228 D C 1.903 178.161 176.300 -0.071 0.000 0.971 228 D CA 1.801 55.841 54.000 0.067 0.000 0.867 228 D CB -0.045 40.839 40.800 0.139 0.000 0.929 228 D HN 0.510 nan 8.370 nan 0.000 0.492 229 T N -3.885 110.582 114.554 -0.144 0.000 3.022 229 T HA 0.415 4.765 4.350 -0.000 0.000 0.250 229 T C 1.598 176.185 174.700 -0.189 0.000 1.060 229 T CA 0.333 62.361 62.100 -0.121 0.000 1.013 229 T CB 0.586 69.418 68.868 -0.060 0.000 0.982 229 T HN 0.050 nan 8.240 nan 0.000 0.508 230 A N 1.432 124.025 122.820 -0.378 0.000 1.920 230 A HA 0.692 5.012 4.320 -0.000 0.000 0.209 230 A C 1.618 178.989 177.584 -0.354 0.000 1.229 230 A CA 0.615 52.442 52.037 -0.351 0.000 0.671 230 A CB -0.875 17.804 19.000 -0.535 0.000 0.886 230 A HN 1.377 nan 8.150 nan 0.000 0.461 231 G N -1.929 106.439 108.800 -0.720 0.000 2.877 231 G HA2 0.158 4.118 3.960 -0.000 0.000 0.279 231 G HA3 0.158 4.118 3.960 -0.000 0.000 0.279 231 G C 0.950 175.636 174.900 -0.357 0.000 1.431 231 G CA 0.213 44.901 45.100 -0.687 0.000 0.883 231 G HN 1.486 nan 8.290 nan 0.000 0.547 232 A N -0.693 122.096 122.820 -0.052 0.000 1.972 232 A HA 0.125 4.445 4.320 -0.000 0.000 0.219 232 A C 2.605 180.235 177.584 0.077 0.000 1.169 232 A CA 2.607 54.730 52.037 0.144 0.000 0.635 232 A CB -0.309 18.795 19.000 0.173 0.000 0.810 232 A HN 1.798 nan 8.150 nan 0.000 0.446 233 L N -0.314 120.944 121.223 0.057 0.000 1.990 233 L HA -0.154 4.186 4.340 -0.000 0.000 0.213 233 L C 2.195 179.073 176.870 0.014 0.000 1.072 233 L CA 1.988 56.863 54.840 0.059 0.000 0.755 233 L CB -0.333 41.775 42.059 0.081 0.000 0.889 233 L HN 0.425 nan 8.230 nan 0.000 0.432 234 L N -1.675 119.559 121.223 0.019 0.000 2.354 234 L HA 0.014 4.354 4.340 -0.000 0.000 0.212 234 L C 1.942 178.849 176.870 0.062 0.000 1.091 234 L CA 0.847 55.718 54.840 0.050 0.000 0.828 234 L CB -0.478 41.674 42.059 0.155 0.000 0.973 234 L HN 0.259 nan 8.230 nan 0.000 0.461 235 D N -0.360 120.095 120.400 0.093 0.000 2.194 235 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 235 D C 2.069 178.447 176.300 0.129 0.000 0.964 235 D CA 1.200 55.325 54.000 0.208 0.000 0.846 235 D CB 0.425 41.445 40.800 0.368 0.000 0.962 235 D HN 0.022 nan 8.370 nan 0.000 0.490 236 M N -0.694 118.956 119.600 0.084 0.000 2.627 236 M HA 0.123 4.603 4.480 -0.000 0.000 0.236 236 M C 1.616 177.890 176.300 -0.044 0.000 1.483 236 M CA 0.121 55.451 55.300 0.051 0.000 1.139 236 M CB -0.073 32.599 32.600 0.121 0.000 1.399 236 M HN -0.002 nan 8.290 nan 0.000 0.549 237 I N 0.711 121.270 120.570 -0.018 0.000 2.162 237 I HA -0.186 3.984 4.170 -0.000 0.000 0.238 237 I C 2.443 178.501 176.117 -0.098 0.000 1.076 237 I CA 1.407 62.700 61.300 -0.013 0.000 1.353 237 I CB -1.351 36.696 38.000 0.077 0.000 1.063 237 I HN 0.382 nan 8.210 nan 0.000 0.408 238 Q N 1.500 121.194 119.800 -0.176 0.000 2.197 238 Q HA -0.221 4.119 4.340 -0.000 0.000 0.207 238 Q C 1.519 177.280 176.000 -0.399 0.000 0.984 238 Q CA 2.045 57.632 55.803 -0.360 0.000 0.869 238 Q CB -0.040 28.337 28.738 -0.601 0.000 0.906 238 Q HN 0.744 nan 8.270 nan 0.000 0.426 239 N N -1.473 117.015 118.700 -0.353 0.000 2.652 239 N HA -0.079 4.661 4.740 -0.000 0.000 0.226 239 N C 1.708 177.047 175.510 -0.286 0.000 1.023 239 N CA 0.978 53.809 53.050 -0.365 0.000 1.126 239 N CB -1.112 37.111 38.487 -0.441 0.000 1.476 239 N HN 0.134 nan 8.380 nan 0.000 0.537 240 H N 0.784 119.725 119.070 -0.215 0.000 2.290 240 H HA 0.019 4.575 4.556 -0.000 0.000 0.298 240 H C 1.746 176.962 175.328 -0.187 0.000 1.087 240 H CA 2.170 58.017 56.048 -0.335 0.000 1.291 240 H CB -0.986 28.283 29.762 -0.822 0.000 1.369 240 H HN 0.334 nan 8.280 nan 0.000 0.492 241 T N 2.128 116.660 114.554 -0.036 0.000 2.652 241 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 241 T C 2.265 176.984 174.700 0.031 0.000 1.039 241 T CA 1.383 63.490 62.100 0.012 0.000 1.153 241 T CB -0.162 68.718 68.868 0.021 0.000 0.863 241 T HN 0.124 nan 8.240 nan 0.000 0.428 242 M N 1.181 120.773 119.600 -0.012 0.000 2.149 242 M HA -0.074 4.406 4.480 -0.000 0.000 0.261 242 M C 2.314 178.687 176.300 0.122 0.000 1.064 242 M CA 1.449 56.759 55.300 0.017 0.000 1.102 242 M CB -1.089 31.446 32.600 -0.108 0.000 1.369 242 M HN 0.215 nan 8.290 nan 0.000 0.408 243 Q N -0.381 119.461 119.800 0.070 0.000 2.230 243 Q HA 0.070 4.410 4.340 -0.000 0.000 0.202 243 Q C 2.161 178.258 176.000 0.162 0.000 0.963 243 Q CA 0.977 56.848 55.803 0.113 0.000 0.866 243 Q CB -0.221 28.552 28.738 0.057 0.000 0.931 243 Q HN 0.569 nan 8.270 nan 0.000 0.452 244 I N -0.290 120.380 120.570 0.167 0.000 2.286 244 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 244 I C 2.156 178.381 176.117 0.180 0.000 1.104 244 I CA 0.532 61.964 61.300 0.220 0.000 1.397 244 I CB -0.162 37.939 38.000 0.169 0.000 1.072 244 I HN -0.052 nan 8.210 nan 0.000 0.417 245 V N 1.220 121.197 119.914 0.104 0.000 2.392 245 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 245 V C 2.610 178.611 176.094 -0.155 0.000 1.059 245 V CA 2.232 64.540 62.300 0.013 0.000 1.051 245 V CB -1.452 30.366 31.823 -0.009 0.000 0.658 245 V HN 0.596 nan 8.190 nan 0.000 0.455 246 G N -1.512 107.186 108.800 -0.171 0.000 2.469 246 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.219 246 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.219 246 G C 1.385 176.128 174.900 -0.261 0.000 1.150 246 G CA 0.849 45.675 45.100 -0.458 0.000 0.763 246 G HN 0.606 nan 8.290 nan 0.000 0.561 247 W N 0.409 121.658 121.300 -0.085 0.000 2.388 247 W HA 0.138 4.798 4.660 -0.000 0.000 0.294 247 W C 2.583 179.097 176.519 -0.008 0.000 1.212 247 W CA 0.074 57.399 57.345 -0.032 0.000 1.271 247 W CB -0.071 29.389 29.460 -0.001 0.000 1.126 247 W HN 0.110 nan 8.180 nan 0.000 0.535 248 L N -0.575 120.811 121.223 0.272 0.000 2.072 248 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 248 L C 2.487 179.550 176.870 0.322 0.000 1.079 248 L CA 1.286 56.330 54.840 0.341 0.000 0.752 248 L CB -0.986 41.248 42.059 0.291 0.000 0.906 248 L HN -0.064 nan 8.230 nan 0.000 0.436 249 A N 0.028 122.772 122.820 -0.127 0.000 2.178 249 A HA 0.114 4.434 4.320 -0.000 0.000 0.211 249 A C 1.267 178.840 177.584 -0.018 0.000 1.157 249 A CA -0.265 51.517 52.037 -0.426 0.000 0.780 249 A CB -0.467 17.587 19.000 -1.577 0.000 0.828 249 A HN 0.400 nan 8.150 nan 0.000 0.476 250 M N 0.606 120.195 119.600 -0.019 0.000 2.247 250 M HA 0.184 4.664 4.480 -0.000 0.000 0.318 250 M C 0.208 176.615 176.300 0.179 0.000 1.054 250 M CA 0.239 55.546 55.300 0.011 0.000 1.117 250 M CB -0.127 32.486 32.600 0.022 0.000 1.515 250 M HN 0.435 nan 8.290 nan 0.000 0.442 251 E N 1.746 122.008 120.200 0.103 0.000 2.351 251 E HA 0.261 4.611 4.350 -0.000 0.000 0.255 251 E C -0.929 175.755 176.600 0.141 0.000 1.188 251 E CA -1.066 55.400 56.400 0.110 0.000 0.940 251 E CB 0.802 30.523 29.700 0.035 0.000 1.094 251 E HN 0.721 nan 8.360 nan 0.000 0.474 252 K N 1.823 122.279 120.400 0.093 0.000 2.339 252 K HA 0.178 4.498 4.320 -0.000 0.000 0.286 252 K C -2.013 174.507 176.600 -0.134 0.000 1.050 252 K CA -1.592 54.672 56.287 -0.038 0.000 0.956 252 K CB 0.503 32.976 32.500 -0.045 0.000 0.990 252 K HN 0.411 nan 8.250 nan 0.000 0.475 253 P HA 0.112 nan 4.420 nan 0.000 0.278 253 P C -0.191 177.023 177.300 -0.144 0.000 1.258 253 P CA -0.250 62.763 63.100 -0.145 0.000 0.811 253 P CB 1.012 32.648 31.700 -0.107 0.000 1.063 254 E N -0.003 120.145 120.200 -0.087 0.000 2.077 254 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 254 E C 0.800 177.363 176.600 -0.062 0.000 0.989 254 E CA 1.322 57.681 56.400 -0.068 0.000 0.800 254 E CB 0.010 29.683 29.700 -0.045 0.000 0.746 254 E HN 0.636 nan 8.360 nan 0.000 0.452 255 S N -1.416 114.260 115.700 -0.041 0.000 2.688 255 S HA 0.293 4.763 4.470 -0.000 0.000 0.275 255 S C -0.712 173.937 174.600 0.082 0.000 1.175 255 S CA -0.877 57.328 58.200 0.008 0.000 0.818 255 S CB 0.605 63.813 63.200 0.014 0.000 1.157 255 S HN 0.072 nan 8.310 nan 0.000 0.482 256 F N 2.810 122.726 119.950 -0.057 0.000 2.898 256 F HA 0.342 4.869 4.527 0.000 0.000 0.290 256 F C 0.981 176.792 175.800 0.018 0.000 1.195 256 F CA -0.242 57.751 58.000 -0.012 0.000 1.387 256 F CB -0.646 38.361 39.000 0.011 0.000 0.976 256 F HN 0.793 nan 8.300 nan 0.000 0.510 257 T N -3.117 111.391 114.554 -0.076 0.000 2.934 257 T HA 0.177 4.527 4.350 -0.000 0.000 0.283 257 T C 1.259 175.860 174.700 -0.165 0.000 1.005 257 T CA -0.317 61.724 62.100 -0.099 0.000 1.041 257 T CB 1.367 70.213 68.868 -0.038 0.000 1.042 257 T HN 0.241 nan 8.240 nan 0.000 0.505 258 D N 1.099 121.419 120.400 -0.133 0.000 2.172 258 D HA -0.265 4.375 4.640 -0.000 0.000 0.196 258 D C 1.595 177.824 176.300 -0.118 0.000 0.999 258 D CA 1.495 55.419 54.000 -0.127 0.000 0.856 258 D CB -0.250 40.514 40.800 -0.060 0.000 0.934 258 D HN 0.736 nan 8.370 nan 0.000 0.453 259 K N 0.385 120.732 120.400 -0.087 0.000 2.057 259 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 259 K C 1.352 177.903 176.600 -0.082 0.000 1.049 259 K CA 1.578 57.821 56.287 -0.074 0.000 0.931 259 K CB 0.033 32.503 32.500 -0.050 0.000 0.714 259 K HN -0.025 nan 8.250 nan 0.000 0.440 260 D N 0.699 121.047 120.400 -0.086 0.000 2.149 260 D HA -0.080 4.560 4.640 -0.000 0.000 0.201 260 D C 1.964 178.200 176.300 -0.107 0.000 0.972 260 D CA 0.830 54.781 54.000 -0.082 0.000 0.835 260 D CB -0.055 40.705 40.800 -0.066 0.000 0.966 260 D HN 0.282 nan 8.370 nan 0.000 0.476 261 I N 1.064 121.540 120.570 -0.158 0.000 2.179 261 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 261 I C 2.480 178.470 176.117 -0.211 0.000 1.088 261 I CA 1.052 62.229 61.300 -0.204 0.000 1.357 261 I CB -0.103 37.705 38.000 -0.320 0.000 1.051 261 I HN -0.064 nan 8.210 nan 0.000 0.409 262 R N 0.909 121.299 120.500 -0.184 0.000 2.075 262 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 262 R C 2.401 178.639 176.300 -0.104 0.000 1.126 262 R CA 1.468 57.475 56.100 -0.153 0.000 0.963 262 R CB -0.717 29.509 30.300 -0.123 0.000 0.858 262 R HN 0.368 nan 8.270 nan 0.000 0.435 263 A N 1.794 124.562 122.820 -0.086 0.000 1.883 263 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 263 A C 2.477 180.026 177.584 -0.059 0.000 1.186 263 A CA 1.889 53.890 52.037 -0.059 0.000 0.624 263 A CB -0.652 18.318 19.000 -0.051 0.000 0.822 263 A HN 0.374 nan 8.150 nan 0.000 0.444 264 A N -0.436 122.341 122.820 -0.072 0.000 1.933 264 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 264 A C 2.119 179.650 177.584 -0.089 0.000 1.175 264 A CA 1.865 53.867 52.037 -0.059 0.000 0.628 264 A CB -0.393 18.585 19.000 -0.036 0.000 0.814 264 A HN 0.569 nan 8.150 nan 0.000 0.444 265 K N -0.436 119.880 120.400 -0.140 0.000 2.103 265 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 265 K C 1.726 178.260 176.600 -0.110 0.000 1.052 265 K CA 1.423 57.585 56.287 -0.209 0.000 0.945 265 K CB -0.261 32.091 32.500 -0.245 0.000 0.722 265 K HN 0.606 nan 8.250 nan 0.000 0.443 266 N N 0.888 119.582 118.700 -0.010 0.000 2.223 266 N HA -0.150 4.590 4.740 -0.000 0.000 0.185 266 N C 1.813 177.346 175.510 0.039 0.000 1.016 266 N CA 0.792 53.880 53.050 0.064 0.000 0.863 266 N CB -0.086 38.410 38.487 0.015 0.000 0.983 266 N HN 0.162 nan 8.380 nan 0.000 0.429 267 A N 1.154 123.968 122.820 -0.009 0.000 1.933 267 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 267 A C 2.312 179.896 177.584 0.001 0.000 1.175 267 A CA 1.679 53.715 52.037 -0.002 0.000 0.628 267 A CB -0.758 18.236 19.000 -0.010 0.000 0.814 267 A HN 0.352 nan 8.150 nan 0.000 0.444 268 A N -0.887 121.886 122.820 -0.078 0.000 1.841 268 A HA 0.063 4.383 4.320 -0.000 0.000 0.214 268 A C 1.892 179.485 177.584 0.015 0.000 1.195 268 A CA 1.491 53.437 52.037 -0.152 0.000 0.611 268 A CB -0.829 17.886 19.000 -0.475 0.000 0.835 268 A HN 0.415 nan 8.150 nan 0.000 0.443 269 F N 1.170 121.121 119.950 0.002 0.000 2.154 269 F HA -0.194 4.333 4.527 0.000 0.000 0.301 269 F C 2.117 177.885 175.800 -0.052 0.000 1.087 269 F CA 1.517 59.502 58.000 -0.025 0.000 1.274 269 F CB -0.671 38.257 39.000 -0.121 0.000 1.009 269 F HN 0.229 nan 8.300 nan 0.000 0.485 270 N N -0.129 118.656 118.700 0.141 0.000 2.443 270 N HA -0.077 4.663 4.740 -0.000 0.000 0.184 270 N C 1.735 177.274 175.510 0.048 0.000 1.037 270 N CA 1.083 54.165 53.050 0.054 0.000 0.896 270 N CB -0.389 38.116 38.487 0.030 0.000 0.959 270 N HN 0.274 nan 8.380 nan 0.000 0.442 271 A N -0.068 122.809 122.820 0.096 0.000 2.308 271 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 271 A C 0.730 178.334 177.584 0.033 0.000 1.216 271 A CA -0.374 51.722 52.037 0.098 0.000 0.864 271 A CB -0.042 19.060 19.000 0.170 0.000 0.902 271 A HN 0.185 nan 8.150 nan 0.000 0.499 272 L N 0.579 121.775 121.223 -0.045 0.000 2.490 272 L HA 0.192 4.532 4.340 -0.000 0.000 0.274 272 L C 0.433 177.138 176.870 -0.275 0.000 1.201 272 L CA 0.287 54.898 54.840 -0.381 0.000 0.869 272 L CB 0.263 42.067 42.059 -0.426 0.000 1.123 272 L HN 0.237 nan 8.230 nan 0.000 0.484 273 K N 4.427 124.620 120.400 -0.345 0.000 2.297 273 K HA 0.388 4.708 4.320 -0.000 0.000 0.286 273 K C -0.944 175.490 176.600 -0.277 0.000 1.053 273 K CA -0.455 55.699 56.287 -0.221 0.000 0.940 273 K CB 0.452 32.861 32.500 -0.151 0.000 1.019 273 K HN 0.543 nan 8.250 nan 0.000 0.475 274 I N 5.712 126.184 120.570 -0.163 0.000 2.331 274 I HA 0.161 4.331 4.170 -0.000 0.000 0.292 274 I C -0.522 175.504 176.117 -0.152 0.000 0.998 274 I CA -0.365 60.827 61.300 -0.180 0.000 1.267 274 I CB 0.446 38.384 38.000 -0.104 0.000 1.386 274 I HN 0.453 nan 8.210 nan 0.000 0.476 275 Y N 3.938 124.170 120.300 -0.113 0.000 2.300 275 Y HA 0.384 4.934 4.550 -0.000 0.000 0.328 275 Y C 0.525 176.370 175.900 -0.092 0.000 1.270 275 Y CA -1.349 56.709 58.100 -0.071 0.000 1.352 275 Y CB 0.322 38.750 38.460 -0.054 0.000 1.286 275 Y HN 0.634 nan 8.280 nan 0.000 0.536 276 D N -1.402 119.095 120.400 0.161 0.000 2.549 276 D HA 0.166 4.806 4.640 -0.000 0.000 0.270 276 D C 0.898 177.218 176.300 0.034 0.000 1.181 276 D CA -0.641 53.393 54.000 0.056 0.000 1.070 276 D CB 0.348 41.176 40.800 0.047 0.000 1.154 276 D HN 0.608 nan 8.370 nan 0.000 0.602 277 E N -0.433 119.773 120.200 0.009 0.000 2.049 277 E HA -0.300 4.050 4.350 -0.000 0.000 0.198 277 E C 1.948 178.549 176.600 0.003 0.000 1.007 277 E CA 1.596 57.998 56.400 0.004 0.000 0.809 277 E CB -0.380 29.323 29.700 0.005 0.000 0.749 277 E HN 0.516 nan 8.360 nan 0.000 0.450 278 A N 0.873 123.689 122.820 -0.006 0.000 1.908 278 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 278 A C 1.937 179.474 177.584 -0.078 0.000 1.181 278 A CA 1.843 53.861 52.037 -0.032 0.000 0.627 278 A CB -0.570 18.412 19.000 -0.030 0.000 0.818 278 A HN 0.393 nan 8.150 nan 0.000 0.445 279 E N -0.426 119.735 120.200 -0.065 0.000 2.072 279 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 279 E C 1.944 178.451 176.600 -0.156 0.000 0.985 279 E CA 1.168 57.471 56.400 -0.161 0.000 0.801 279 E CB -0.269 29.380 29.700 -0.085 0.000 0.750 279 E HN 0.398 nan 8.360 nan 0.000 0.452 280 V N 2.217 122.125 119.914 -0.010 0.000 2.392 280 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 280 V C 1.966 178.145 176.094 0.142 0.000 1.059 280 V CA 1.569 63.919 62.300 0.082 0.000 1.051 280 V CB -0.496 31.320 31.823 -0.012 0.000 0.658 280 V HN 0.316 nan 8.190 nan 0.000 0.455 281 N N 0.004 118.737 118.700 0.055 0.000 2.188 281 N HA -0.169 4.571 4.740 -0.000 0.000 0.184 281 N C 1.954 177.451 175.510 -0.023 0.000 1.018 281 N CA 1.361 54.441 53.050 0.051 0.000 0.858 281 N CB -0.093 38.401 38.487 0.012 0.000 0.989 281 N HN 0.509 nan 8.380 nan 0.000 0.426 282 K N -0.192 120.101 120.400 -0.179 0.000 2.116 282 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 282 K C 0.798 177.148 176.600 -0.415 0.000 1.052 282 K CA 1.032 57.076 56.287 -0.405 0.000 0.952 282 K CB 0.108 32.157 32.500 -0.750 0.000 0.729 282 K HN 0.123 nan 8.250 nan 0.000 0.446 283 Y N -1.366 118.925 120.300 -0.016 0.000 2.467 283 Y HA 0.282 4.832 4.550 -0.000 0.000 0.250 283 Y C -0.175 175.801 175.900 0.126 0.000 1.155 283 Y CA -0.387 57.733 58.100 0.033 0.000 1.249 283 Y CB 0.501 38.892 38.460 -0.115 0.000 1.146 283 Y HN -0.138 nan 8.280 nan 0.000 0.524 284 F N -1.244 118.841 119.950 0.225 0.000 2.593 284 F HA 0.686 5.213 4.527 0.000 0.000 0.320 284 F C -0.613 175.332 175.800 0.242 0.000 1.060 284 F CA -1.694 56.464 58.000 0.263 0.000 0.940 284 F CB 1.840 41.000 39.000 0.268 0.000 1.268 284 F HN -0.542 nan 8.300 nan 0.000 0.475 285 V N 2.439 122.588 119.914 0.392 0.000 2.760 285 V HA 0.595 4.715 4.120 -0.000 0.000 0.309 285 V C -1.033 175.281 176.094 0.367 0.000 1.077 285 V CA -0.958 61.536 62.300 0.324 0.000 0.910 285 V CB 2.248 34.245 31.823 0.291 0.000 1.008 285 V HN 0.745 nan 8.190 nan 0.000 0.424 286 R N 3.439 124.084 120.500 0.241 0.000 2.621 286 R HA 0.963 5.303 4.340 -0.000 0.000 0.292 286 R C -0.964 175.444 176.300 0.181 0.000 0.969 286 R CA -0.494 55.706 56.100 0.167 0.000 0.887 286 R CB 2.432 32.583 30.300 -0.249 0.000 1.180 286 R HN 0.835 nan 8.270 nan 0.000 0.450 287 A N 2.015 125.020 122.820 0.307 0.000 2.593 287 A HA 0.506 4.826 4.320 -0.000 0.000 0.290 287 A C -1.632 176.156 177.584 0.341 0.000 1.126 287 A CA -0.821 51.403 52.037 0.312 0.000 0.695 287 A CB 2.445 21.657 19.000 0.354 0.000 1.290 287 A HN 0.766 nan 8.150 nan 0.000 0.414 288 Q N 0.200 120.124 119.800 0.206 0.000 2.331 288 Q HA 0.551 4.891 4.340 -0.000 0.000 0.272 288 Q C -1.737 174.054 176.000 -0.348 0.000 1.062 288 Q CA -0.787 54.982 55.803 -0.057 0.000 0.806 288 Q CB 1.676 30.327 28.738 -0.145 0.000 1.312 288 Q HN 0.871 nan 8.270 nan 0.000 0.431 289 Y N 1.151 121.126 120.300 -0.541 0.000 2.442 289 Y HA 0.630 5.180 4.550 -0.000 0.000 0.330 289 Y C 0.359 176.051 175.900 -0.347 0.000 1.129 289 Y CA -0.090 57.486 58.100 -0.873 0.000 1.365 289 Y CB 0.477 38.603 38.460 -0.556 0.000 1.233 289 Y HN 0.563 nan 8.280 nan 0.000 0.529 290 G N 1.647 110.353 108.800 -0.156 0.000 2.641 290 G HA2 0.573 4.533 3.960 -0.000 0.000 0.239 290 G HA3 0.573 4.533 3.960 -0.000 0.000 0.239 290 G C -0.670 174.291 174.900 0.101 0.000 1.402 290 G CA -0.818 44.271 45.100 -0.018 0.000 1.046 290 G HN 1.059 nan 8.290 nan 0.000 0.565 291 A N -1.484 121.381 122.820 0.075 0.000 2.366 291 A HA 0.652 4.972 4.320 -0.000 0.000 0.249 291 A C 0.906 178.532 177.584 0.070 0.000 1.084 291 A CA 0.569 52.670 52.037 0.107 0.000 0.794 291 A CB 0.278 19.323 19.000 0.075 0.000 1.034 291 A HN 1.258 nan 8.150 nan 0.000 0.491 292 G N -1.183 107.671 108.800 0.089 0.000 3.134 292 G HA2 0.422 4.382 3.960 -0.000 0.000 0.158 292 G HA3 0.422 4.382 3.960 -0.000 0.000 0.158 292 G C -0.113 174.733 174.900 -0.090 0.000 1.334 292 G CA 0.131 45.180 45.100 -0.086 0.000 1.001 292 G HN 0.568 nan 8.290 nan 0.000 0.600 293 D N -0.653 119.629 120.400 -0.197 0.000 2.398 293 D HA 0.261 4.901 4.640 -0.000 0.000 0.210 293 D C 0.347 176.647 176.300 0.000 0.000 1.094 293 D CA 0.353 54.295 54.000 -0.096 0.000 0.839 293 D CB 1.115 41.833 40.800 -0.136 0.000 0.963 293 D HN 0.133 nan 8.370 nan 0.000 0.506 294 S N -0.894 114.876 115.700 0.116 0.000 2.661 294 S HA 0.553 5.023 4.470 -0.000 0.000 0.285 294 S C 0.285 175.026 174.600 0.235 0.000 1.138 294 S CA -0.368 57.959 58.200 0.212 0.000 0.855 294 S CB 1.821 65.215 63.200 0.324 0.000 1.136 294 S HN -0.050 nan 8.310 nan 0.000 0.484 295 A N 1.129 124.035 122.820 0.143 0.000 2.239 295 A HA 0.099 4.419 4.320 -0.000 0.000 0.209 295 A C 0.995 178.616 177.584 0.061 0.000 1.171 295 A CA 0.946 53.038 52.037 0.092 0.000 0.768 295 A CB -0.491 18.541 19.000 0.054 0.000 0.790 295 A HN 0.783 nan 8.150 nan 0.000 0.478 296 D N -0.849 119.589 120.400 0.063 0.000 2.277 296 D HA 0.052 4.692 4.640 -0.000 0.000 0.209 296 D C -0.407 175.718 176.300 -0.292 0.000 0.970 296 D CA 0.485 54.387 54.000 -0.163 0.000 0.874 296 D CB -0.063 40.533 40.800 -0.340 0.000 0.982 296 D HN 0.480 nan 8.370 nan 0.000 0.504 297 F N 2.479 122.441 119.950 0.019 0.000 2.451 297 F HA 0.251 4.778 4.527 0.000 0.000 0.356 297 F C 0.846 176.683 175.800 0.062 0.000 1.178 297 F CA -0.468 57.548 58.000 0.027 0.000 1.210 297 F CB 0.257 39.259 39.000 0.003 0.000 1.504 297 F HN -0.515 nan 8.300 nan 0.000 0.598 298 K N 4.230 124.734 120.400 0.173 0.000 2.118 298 K HA 0.334 4.654 4.320 -0.000 0.000 0.264 298 K C -2.360 174.385 176.600 0.242 0.000 1.000 298 K CA -1.783 54.599 56.287 0.158 0.000 0.929 298 K CB 0.454 33.011 32.500 0.095 0.000 1.021 298 K HN 0.179 nan 8.250 nan 0.000 0.463 299 P HA -0.099 nan 4.420 nan 0.000 0.272 299 P C 0.034 177.375 177.300 0.067 0.000 1.230 299 P CA -0.050 63.136 63.100 0.144 0.000 0.788 299 P CB 0.429 32.161 31.700 0.053 0.000 0.949 300 Y N 2.180 122.256 120.300 -0.373 0.000 2.151 300 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 300 Y C 2.094 177.871 175.900 -0.205 0.000 1.166 300 Y CA 1.746 59.505 58.100 -0.568 0.000 1.163 300 Y CB -0.890 36.974 38.460 -0.993 0.000 0.974 300 Y HN 0.148 nan 8.280 nan 0.000 0.511 301 L N 0.031 121.165 121.223 -0.148 0.000 2.353 301 L HA -0.174 4.165 4.340 -0.000 0.000 0.220 301 L C 1.520 178.299 176.870 -0.152 0.000 1.133 301 L CA 1.347 56.090 54.840 -0.163 0.000 0.798 301 L CB -0.383 41.648 42.059 -0.047 0.000 0.922 301 L HN 0.306 nan 8.230 nan 0.000 0.445 302 E N -0.718 119.416 120.200 -0.110 0.000 2.465 302 E HA 0.061 4.411 4.350 -0.000 0.000 0.195 302 E C 0.111 176.667 176.600 -0.072 0.000 1.028 302 E CA -0.224 56.136 56.400 -0.067 0.000 0.899 302 E CB 0.475 30.165 29.700 -0.016 0.000 1.032 302 E HN 0.357 nan 8.360 nan 0.000 0.468 303 E N 0.776 120.892 120.200 -0.140 0.000 2.349 303 E HA 0.112 4.462 4.350 -0.000 0.000 0.262 303 E C -0.084 176.454 176.600 -0.103 0.000 1.088 303 E CA -0.612 55.727 56.400 -0.102 0.000 0.899 303 E CB 1.326 30.952 29.700 -0.124 0.000 1.044 303 E HN -0.003 nan 8.360 nan 0.000 0.420 304 L N 2.774 123.968 121.223 -0.049 0.000 2.540 304 L HA -0.085 4.255 4.340 -0.000 0.000 0.276 304 L C 0.415 177.264 176.870 -0.034 0.000 1.212 304 L CA 1.033 55.855 54.840 -0.030 0.000 0.893 304 L CB -0.223 41.834 42.059 -0.004 0.000 1.138 304 L HN 0.506 nan 8.230 nan 0.000 0.491 305 D N 1.561 121.944 120.400 -0.028 0.000 3.012 305 D HA -0.169 4.471 4.640 -0.000 0.000 0.222 305 D C -0.443 175.832 176.300 -0.043 0.000 1.167 305 D CA 0.683 54.673 54.000 -0.016 0.000 0.854 305 D CB -1.254 39.558 40.800 0.020 0.000 1.107 305 D HN 0.195 nan 8.370 nan 0.000 0.421 306 V N 2.047 121.895 119.914 -0.110 0.000 2.350 306 V HA 0.290 4.410 4.120 -0.000 0.000 0.276 306 V C -1.582 174.441 176.094 -0.119 0.000 1.028 306 V CA -1.266 60.924 62.300 -0.183 0.000 0.860 306 V CB 1.544 33.081 31.823 -0.477 0.000 0.990 306 V HN -0.066 nan 8.190 nan 0.000 0.453 307 P HA 0.068 nan 4.420 nan 0.000 0.265 307 P C 0.737 178.015 177.300 -0.037 0.000 1.193 307 P CA 0.005 63.085 63.100 -0.032 0.000 0.765 307 P CB 1.097 32.794 31.700 -0.005 0.000 0.823 308 A N 3.508 126.309 122.820 -0.030 0.000 2.084 308 A HA -0.192 4.128 4.320 -0.000 0.000 0.221 308 A C 1.418 178.996 177.584 -0.009 0.000 1.161 308 A CA 1.919 53.941 52.037 -0.025 0.000 0.653 308 A CB -0.805 18.184 19.000 -0.019 0.000 0.802 308 A HN 0.682 nan 8.150 nan 0.000 0.457 309 D N -1.038 119.362 120.400 -0.000 0.000 2.424 309 D HA 0.097 4.737 4.640 -0.000 0.000 0.220 309 D C 0.321 176.635 176.300 0.024 0.000 1.150 309 D CA 0.283 54.289 54.000 0.009 0.000 0.831 309 D CB -0.622 40.182 40.800 0.007 0.000 0.981 309 D HN 0.126 nan 8.370 nan 0.000 0.500 310 S N 0.513 116.236 115.700 0.038 0.000 2.563 310 S HA -0.003 4.467 4.470 -0.000 0.000 0.294 310 S C 0.717 175.367 174.600 0.082 0.000 1.279 310 S CA 0.022 58.271 58.200 0.081 0.000 1.069 310 S CB 0.432 63.727 63.200 0.159 0.000 0.828 310 S HN 0.197 nan 8.310 nan 0.000 0.497 311 K N 3.085 123.516 120.400 0.052 0.000 2.514 311 K HA 0.147 4.467 4.320 -0.000 0.000 0.207 311 K C 0.007 176.601 176.600 -0.011 0.000 1.035 311 K CA -0.359 55.935 56.287 0.013 0.000 1.113 311 K CB 0.130 32.628 32.500 -0.003 0.000 0.846 311 K HN 0.567 nan 8.250 nan 0.000 0.491 312 N N 2.510 121.219 118.700 0.014 0.000 2.479 312 N HA -0.061 4.679 4.740 -0.000 0.000 0.257 312 N C -0.703 174.723 175.510 -0.141 0.000 1.232 312 N CA -0.013 53.003 53.050 -0.056 0.000 0.920 312 N CB 0.463 38.939 38.487 -0.017 0.000 1.105 312 N HN 0.187 nan 8.380 nan 0.000 0.444 313 N N -0.744 117.889 118.700 -0.110 0.000 2.426 313 N HA 0.211 4.951 4.740 -0.000 0.000 0.275 313 N C 0.083 175.592 175.510 -0.001 0.000 1.019 313 N CA -0.570 52.461 53.050 -0.033 0.000 0.941 313 N CB 1.317 39.839 38.487 0.057 0.000 1.123 313 N HN 0.530 nan 8.380 nan 0.000 0.486 314 T N -1.683 112.937 114.554 0.109 0.000 3.069 314 T HA 0.218 4.568 4.350 -0.000 0.000 0.252 314 T C -0.340 174.668 174.700 0.514 0.000 1.053 314 T CA -0.243 62.057 62.100 0.334 0.000 0.964 314 T CB -0.602 68.436 68.868 0.282 0.000 1.005 314 T HN 0.510 nan 8.240 nan 0.000 0.532 315 F N 0.990 121.088 119.950 0.246 0.000 2.622 315 F HA 0.650 5.177 4.527 -0.000 0.000 0.318 315 F C -2.304 173.575 175.800 0.132 0.000 1.135 315 F CA -1.714 56.378 58.000 0.154 0.000 1.015 315 F CB 1.429 40.434 39.000 0.010 0.000 1.275 315 F HN -0.094 nan 8.300 nan 0.000 0.457 316 I N 4.737 124.984 120.570 -0.538 0.000 2.582 316 I HA 0.732 4.902 4.170 -0.000 0.000 0.292 316 I C -0.929 174.871 176.117 -0.528 0.000 1.066 316 I CA -0.724 60.442 61.300 -0.224 0.000 1.053 316 I CB 1.527 39.584 38.000 0.094 0.000 1.241 316 I HN 0.806 nan 8.210 nan 0.000 0.421 317 A N 3.984 126.710 122.820 -0.157 0.000 2.398 317 A HA 0.958 5.278 4.320 -0.000 0.000 0.301 317 A C -0.368 177.126 177.584 -0.150 0.000 1.041 317 A CA -0.387 51.622 52.037 -0.046 0.000 0.711 317 A CB 1.971 21.119 19.000 0.248 0.000 1.240 317 A HN 0.915 nan 8.150 nan 0.000 0.420 318 G N 0.220 108.827 108.800 -0.322 0.000 2.660 318 G HA2 0.562 4.522 3.960 -0.000 0.000 0.290 318 G HA3 0.562 4.522 3.960 -0.000 0.000 0.290 318 G C -1.628 173.061 174.900 -0.352 0.000 1.432 318 G CA -0.427 44.051 45.100 -1.037 0.000 0.807 318 G HN 0.793 nan 8.290 nan 0.000 0.485 319 E N -0.006 120.067 120.200 -0.213 0.000 2.187 319 E HA 0.573 4.923 4.350 -0.000 0.000 0.268 319 E C -1.163 175.512 176.600 0.125 0.000 0.896 319 E CA -0.663 55.750 56.400 0.022 0.000 0.766 319 E CB 1.431 31.176 29.700 0.074 0.000 1.142 319 E HN 0.175 nan 8.360 nan 0.000 0.408 320 L N 3.093 124.315 121.223 -0.002 0.000 2.334 320 L HA 0.425 4.765 4.340 -0.000 0.000 0.272 320 L C -0.412 176.293 176.870 -0.275 0.000 1.020 320 L CA -0.378 54.364 54.840 -0.162 0.000 0.812 320 L CB 1.768 43.578 42.059 -0.414 0.000 1.264 320 L HN 0.594 nan 8.230 nan 0.000 0.439 321 Q N 1.757 121.295 119.800 -0.436 0.000 2.331 321 Q HA 0.573 4.913 4.340 -0.000 0.000 0.272 321 Q C -1.682 174.011 176.000 -0.512 0.000 1.062 321 Q CA -0.403 55.220 55.803 -0.301 0.000 0.806 321 Q CB 2.514 31.177 28.738 -0.126 0.000 1.312 321 Q HN 0.310 nan 8.270 nan 0.000 0.431 322 F N 0.793 120.678 119.950 -0.108 0.000 2.427 322 F HA 0.198 4.725 4.527 -0.000 0.000 0.346 322 F C 0.443 176.266 175.800 0.037 0.000 1.120 322 F CA -0.842 57.110 58.000 -0.080 0.000 1.033 322 F CB 1.328 40.250 39.000 -0.129 0.000 1.126 322 F HN 0.509 nan 8.300 nan 0.000 0.462 323 D N 3.622 124.122 120.400 0.167 0.000 2.994 323 D HA 0.276 4.916 4.640 -0.000 0.000 0.240 323 D C -1.237 175.146 176.300 0.138 0.000 1.195 323 D CA 0.225 54.299 54.000 0.124 0.000 0.957 323 D CB -0.224 40.615 40.800 0.065 0.000 1.105 323 D HN 0.270 nan 8.370 nan 0.000 0.477 324 L N 1.160 122.495 121.223 0.187 0.000 2.408 324 L HA 0.464 4.804 4.340 -0.000 0.000 0.268 324 L C -1.859 175.067 176.870 0.094 0.000 0.986 324 L CA -2.197 52.722 54.840 0.133 0.000 0.820 324 L CB 2.151 44.308 42.059 0.164 0.000 1.303 324 L HN -0.077 nan 8.230 nan 0.000 0.411 325 P HA -0.205 nan 4.420 nan 0.000 0.216 325 P C 1.318 178.584 177.300 -0.056 0.000 1.157 325 P CA 1.521 64.621 63.100 0.001 0.000 0.880 325 P CB 0.072 31.764 31.700 -0.014 0.000 0.791 326 R N -1.274 119.128 120.500 -0.163 0.000 2.117 326 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 326 R C 0.976 176.955 176.300 -0.534 0.000 1.143 326 R CA 1.764 57.603 56.100 -0.435 0.000 0.968 326 R CB -0.614 29.290 30.300 -0.660 0.000 0.863 326 R HN 0.290 nan 8.270 nan 0.000 0.444 327 W N 0.962 122.311 121.300 0.082 0.000 2.966 327 W HA 0.293 4.953 4.660 -0.000 0.000 0.406 327 W C -0.583 176.003 176.519 0.112 0.000 1.027 327 W CA -0.911 56.507 57.345 0.122 0.000 1.930 327 W CB 0.530 30.099 29.460 0.181 0.000 1.144 327 W HN -0.045 nan 8.180 nan 0.000 0.626 328 E N 0.942 121.270 120.200 0.213 0.000 2.729 328 E HA 0.123 4.473 4.350 -0.000 0.000 0.246 328 E C 1.328 178.012 176.600 0.140 0.000 0.984 328 E CA 1.201 57.691 56.400 0.151 0.000 0.951 328 E CB 0.216 29.966 29.700 0.082 0.000 0.914 328 E HN 0.424 nan 8.360 nan 0.000 0.509 329 G N 2.490 111.369 108.800 0.131 0.000 2.184 329 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.264 329 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.264 329 G C 0.238 175.190 174.900 0.087 0.000 0.975 329 G CA 0.298 45.453 45.100 0.092 0.000 0.642 329 G HN 0.594 nan 8.290 nan 0.000 0.536 330 V N 2.500 122.508 119.914 0.157 0.000 2.348 330 V HA 0.681 4.801 4.120 -0.000 0.000 0.270 330 V C -1.830 174.275 176.094 0.018 0.000 1.037 330 V CA -1.956 60.395 62.300 0.085 0.000 0.872 330 V CB 1.368 33.285 31.823 0.157 0.000 1.002 330 V HN 0.183 nan 8.190 nan 0.000 0.464 331 P HA 0.266 nan 4.420 nan 0.000 0.276 331 P C -1.108 175.847 177.300 -0.575 0.000 1.230 331 P CA -0.109 62.763 63.100 -0.380 0.000 0.776 331 P CB 0.748 32.065 31.700 -0.638 0.000 0.888 332 F N 2.577 122.208 119.950 -0.531 0.000 2.361 332 F HA 0.302 4.829 4.527 0.000 0.000 0.364 332 F C 0.333 175.891 175.800 -0.403 0.000 1.120 332 F CA -0.209 57.546 58.000 -0.409 0.000 1.102 332 F CB 0.507 39.386 39.000 -0.203 0.000 1.183 332 F HN 0.214 nan 8.300 nan 0.000 0.476 333 Y N 2.522 122.803 120.300 -0.032 0.000 2.308 333 Y HA 0.583 5.133 4.550 -0.000 0.000 0.329 333 Y C -0.004 175.986 175.900 0.151 0.000 1.111 333 Y CA -0.937 57.140 58.100 -0.039 0.000 1.179 333 Y CB 1.223 39.474 38.460 -0.348 0.000 1.201 333 Y HN 0.211 nan 8.280 nan 0.000 0.483 334 V N 4.911 125.046 119.914 0.369 0.000 2.709 334 V HA 0.704 4.824 4.120 -0.000 0.000 0.308 334 V C -0.914 175.319 176.094 0.233 0.000 1.062 334 V CA -0.925 61.539 62.300 0.273 0.000 0.901 334 V CB 2.226 34.153 31.823 0.172 0.000 1.003 334 V HN 0.859 nan 8.190 nan 0.000 0.425 335 R N 2.681 123.230 120.500 0.082 0.000 2.604 335 R HA 0.854 5.194 4.340 -0.000 0.000 0.270 335 R C -1.433 174.737 176.300 -0.218 0.000 1.052 335 R CA -0.572 55.413 56.100 -0.192 0.000 0.902 335 R CB 2.066 32.107 30.300 -0.433 0.000 1.233 335 R HN 0.583 nan 8.270 nan 0.000 0.455 336 S N 0.617 116.103 115.700 -0.356 0.000 2.535 336 S HA 0.855 5.325 4.470 -0.000 0.000 0.272 336 S C -1.299 173.172 174.600 -0.214 0.000 1.149 336 S CA 0.078 58.169 58.200 -0.181 0.000 0.888 336 S CB 1.900 65.072 63.200 -0.046 0.000 1.110 336 S HN 1.180 nan 8.310 nan 0.000 0.463 337 G N 2.556 111.376 108.800 0.034 0.000 2.523 337 G HA2 0.514 4.474 3.960 -0.000 0.000 0.291 337 G HA3 0.514 4.474 3.960 -0.000 0.000 0.291 337 G C -2.134 172.935 174.900 0.282 0.000 1.450 337 G CA -0.733 44.512 45.100 0.242 0.000 0.790 337 G HN 0.693 nan 8.290 nan 0.000 0.496 338 K N -0.018 120.600 120.400 0.364 0.000 2.106 338 K HA 0.704 5.024 4.320 -0.000 0.000 0.246 338 K C 0.615 177.337 176.600 0.204 0.000 0.987 338 K CA -0.741 55.689 56.287 0.239 0.000 0.904 338 K CB 0.690 33.323 32.500 0.222 0.000 1.071 338 K HN 0.396 nan 8.250 nan 0.000 0.453 339 R N 0.114 120.624 120.500 0.017 0.000 3.651 339 R HA -0.180 4.160 4.340 -0.000 0.000 0.292 339 R C -0.744 175.641 176.300 0.143 0.000 1.161 339 R CA 0.342 56.428 56.100 -0.025 0.000 0.787 339 R CB -2.234 27.823 30.300 -0.406 0.000 1.249 339 R HN 0.316 nan 8.270 nan 0.000 0.476 340 L N -0.919 120.392 121.223 0.146 0.000 2.472 340 L HA 0.461 4.801 4.340 -0.000 0.000 0.256 340 L C 2.083 178.997 176.870 0.072 0.000 1.111 340 L CA 0.820 55.727 54.840 0.112 0.000 0.800 340 L CB -0.085 42.045 42.059 0.118 0.000 1.286 340 L HN 0.160 nan 8.230 nan 0.000 0.479 341 A N 0.110 122.954 122.820 0.039 0.000 1.972 341 A HA 0.351 4.671 4.320 -0.000 0.000 0.219 341 A C 0.789 178.416 177.584 0.072 0.000 1.169 341 A CA 1.707 53.755 52.037 0.018 0.000 0.635 341 A CB -0.386 18.587 19.000 -0.045 0.000 0.810 341 A HN 0.788 nan 8.150 nan 0.000 0.446 342 A N -1.835 121.068 122.820 0.138 0.000 2.599 342 A HA 0.590 4.910 4.320 -0.000 0.000 0.290 342 A C -0.846 176.823 177.584 0.141 0.000 1.101 342 A CA -0.663 51.469 52.037 0.158 0.000 0.674 342 A CB 0.701 19.850 19.000 0.247 0.000 1.277 342 A HN -0.028 nan 8.150 nan 0.000 0.419 343 K N 1.016 121.476 120.400 0.099 0.000 2.262 343 K HA 0.495 4.815 4.320 -0.000 0.000 0.282 343 K C -0.948 175.662 176.600 0.017 0.000 1.066 343 K CA 0.192 56.518 56.287 0.065 0.000 0.901 343 K CB 0.837 33.369 32.500 0.054 0.000 1.089 343 K HN 0.770 nan 8.250 nan 0.000 0.476 344 Q N 1.886 121.674 119.800 -0.019 0.000 2.378 344 Q HA 0.255 4.595 4.340 -0.000 0.000 0.262 344 Q C -1.776 174.161 176.000 -0.105 0.000 0.978 344 Q CA -0.386 55.336 55.803 -0.134 0.000 0.918 344 Q CB 1.724 30.229 28.738 -0.389 0.000 1.415 344 Q HN 0.443 nan 8.270 nan 0.000 0.409 345 T N 4.465 118.968 114.554 -0.085 0.000 2.833 345 T HA 0.700 5.050 4.350 -0.000 0.000 0.297 345 T C -1.091 173.571 174.700 -0.064 0.000 1.015 345 T CA -0.658 61.431 62.100 -0.018 0.000 0.963 345 T CB 0.362 69.258 68.868 0.046 0.000 0.955 345 T HN 0.637 nan 8.240 nan 0.000 0.449 346 R N 0.611 121.069 120.500 -0.070 0.000 2.764 346 R HA 0.852 5.192 4.340 -0.000 0.000 0.270 346 R C -1.994 174.296 176.300 -0.017 0.000 1.014 346 R CA -1.038 55.019 56.100 -0.072 0.000 0.904 346 R CB 1.222 31.423 30.300 -0.166 0.000 1.236 346 R HN 0.260 nan 8.270 nan 0.000 0.466 347 V N 1.237 121.145 119.914 -0.010 0.000 2.540 347 V HA 0.402 4.522 4.120 -0.000 0.000 0.302 347 V C -1.065 175.014 176.094 -0.025 0.000 1.035 347 V CA -0.669 61.632 62.300 0.002 0.000 0.873 347 V CB 1.928 33.756 31.823 0.008 0.000 0.992 347 V HN 0.746 nan 8.190 nan 0.000 0.428 348 D N 4.766 125.145 120.400 -0.034 0.000 2.593 348 D HA 0.510 5.150 4.640 -0.000 0.000 0.251 348 D C -0.784 175.404 176.300 -0.187 0.000 1.140 348 D CA -0.159 53.801 54.000 -0.067 0.000 0.855 348 D CB 2.842 43.651 40.800 0.014 0.000 1.267 348 D HN 0.314 nan 8.370 nan 0.000 0.532 349 I N 2.074 122.458 120.570 -0.310 0.000 2.328 349 I HA 0.130 4.300 4.170 -0.000 0.000 0.287 349 I C -0.046 175.687 176.117 -0.640 0.000 1.012 349 I CA -0.688 60.268 61.300 -0.573 0.000 1.195 349 I CB 1.635 39.154 38.000 -0.803 0.000 1.350 349 I HN -0.006 nan 8.210 nan 0.000 0.464 350 V N 7.425 127.044 119.914 -0.491 0.000 2.385 350 V HA 0.283 4.403 4.120 -0.000 0.000 0.269 350 V C -0.070 175.822 176.094 -0.336 0.000 1.043 350 V CA -0.382 61.732 62.300 -0.310 0.000 0.906 350 V CB 0.179 31.913 31.823 -0.149 0.000 0.995 350 V HN 0.329 nan 8.190 nan 0.000 0.467 351 F N 3.241 123.182 119.950 -0.014 0.000 2.384 351 F HA 0.431 4.958 4.527 -0.000 0.000 0.338 351 F C 0.973 176.794 175.800 0.036 0.000 1.103 351 F CA -0.828 57.187 58.000 0.025 0.000 1.157 351 F CB 0.758 39.803 39.000 0.076 0.000 1.167 351 F HN 0.333 nan 8.300 nan 0.000 0.529 352 K N 1.804 122.347 120.400 0.238 0.000 2.485 352 K HA 0.311 4.631 4.320 -0.000 0.000 0.277 352 K C 0.110 176.799 176.600 0.148 0.000 0.990 352 K CA -0.291 56.076 56.287 0.134 0.000 0.994 352 K CB 0.342 32.888 32.500 0.077 0.000 0.906 352 K HN 0.734 nan 8.250 nan 0.000 0.488 353 A N 2.279 125.166 122.820 0.112 0.000 2.386 353 A HA 0.348 4.668 4.320 -0.000 0.000 0.248 353 A C 0.594 178.247 177.584 0.115 0.000 1.082 353 A CA 0.007 52.115 52.037 0.118 0.000 0.789 353 A CB 0.300 19.361 19.000 0.101 0.000 1.025 353 A HN 0.779 nan 8.150 nan 0.000 0.490 354 G N -0.474 108.411 108.800 0.142 0.000 2.569 354 G HA2 0.388 4.348 3.960 -0.000 0.000 0.249 354 G HA3 0.388 4.348 3.960 -0.000 0.000 0.249 354 G C 0.894 175.880 174.900 0.143 0.000 1.216 354 G CA 0.437 45.626 45.100 0.147 0.000 0.845 354 G HN 1.159 nan 8.290 nan 0.000 0.568 355 T N -1.297 113.330 114.554 0.121 0.000 3.044 355 T HA 0.126 4.476 4.350 -0.000 0.000 0.250 355 T C 0.749 175.497 174.700 0.080 0.000 1.081 355 T CA -0.347 61.804 62.100 0.085 0.000 1.040 355 T CB -0.131 68.763 68.868 0.043 0.000 0.962 355 T HN 0.273 nan 8.240 nan 0.000 0.506 356 F N 4.893 124.819 119.950 -0.040 0.000 2.557 356 F HA 0.244 4.771 4.527 -0.000 0.000 0.384 356 F C 0.436 176.122 175.800 -0.191 0.000 1.057 356 F CA -1.401 56.508 58.000 -0.153 0.000 1.169 356 F CB -0.025 38.833 39.000 -0.238 0.000 1.070 356 F HN 0.311 nan 8.300 nan 0.000 0.554 357 N N 4.323 122.623 118.700 -0.667 0.000 2.455 357 N HA 0.197 4.937 4.740 -0.000 0.000 0.280 357 N C -0.291 174.835 175.510 -0.640 0.000 1.055 357 N CA -0.644 52.162 53.050 -0.406 0.000 0.961 357 N CB 0.670 39.018 38.487 -0.231 0.000 1.121 357 N HN 0.520 nan 8.380 nan 0.000 0.476 358 F N 1.331 121.231 119.950 -0.084 0.000 2.743 358 F HA 0.327 4.854 4.527 -0.000 0.000 0.297 358 F C 1.993 177.773 175.800 -0.033 0.000 1.131 358 F CA 0.353 58.358 58.000 0.008 0.000 1.426 358 F CB 0.137 39.292 39.000 0.258 0.000 1.116 358 F HN 0.882 nan 8.300 nan 0.000 0.583 359 G N 0.701 109.566 108.800 0.109 0.000 2.153 359 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.252 359 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.252 359 G C 0.348 175.328 174.900 0.135 0.000 0.994 359 G CA 0.357 45.497 45.100 0.066 0.000 0.698 359 G HN 0.506 nan 8.290 nan 0.000 0.521 360 S N -1.050 114.784 115.700 0.223 0.000 2.707 360 S HA 0.636 5.106 4.470 -0.000 0.000 0.276 360 S C 1.245 175.920 174.600 0.124 0.000 1.179 360 S CA 0.391 58.715 58.200 0.206 0.000 0.992 360 S CB 1.932 65.301 63.200 0.282 0.000 1.030 360 S HN 0.711 nan 8.310 nan 0.000 0.554 361 E N 0.219 120.471 120.200 0.087 0.000 2.051 361 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 361 E C 0.714 177.345 176.600 0.051 0.000 0.991 361 E CA 1.133 57.566 56.400 0.055 0.000 0.799 361 E CB -0.044 29.677 29.700 0.035 0.000 0.748 361 E HN 0.640 nan 8.360 nan 0.000 0.449 362 Q N 1.485 121.312 119.800 0.044 0.000 2.372 362 Q HA 0.144 4.484 4.340 -0.000 0.000 0.259 362 Q C -1.192 174.845 176.000 0.062 0.000 0.993 362 Q CA -0.545 55.279 55.803 0.035 0.000 0.854 362 Q CB 1.192 29.930 28.738 0.000 0.000 1.231 362 Q HN 0.097 nan 8.270 nan 0.000 0.462 363 E N 1.716 121.972 120.200 0.094 0.000 2.351 363 E HA 0.428 4.778 4.350 -0.000 0.000 0.255 363 E C -0.519 176.160 176.600 0.132 0.000 1.188 363 E CA -0.274 56.222 56.400 0.161 0.000 0.940 363 E CB 0.564 30.362 29.700 0.164 0.000 1.094 363 E HN 0.772 nan 8.360 nan 0.000 0.474 364 A N 1.523 124.466 122.820 0.205 0.000 2.548 364 A HA 0.010 4.330 4.320 -0.000 0.000 0.247 364 A C 0.304 177.960 177.584 0.121 0.000 1.067 364 A CA 0.387 52.522 52.037 0.164 0.000 0.757 364 A CB -0.091 19.071 19.000 0.271 0.000 0.996 364 A HN 0.424 nan 8.150 nan 0.000 0.504 365 Q N 1.087 120.939 119.800 0.087 0.000 2.166 365 Q HA 0.339 4.679 4.340 -0.000 0.000 0.226 365 Q C -0.555 175.502 176.000 0.096 0.000 0.989 365 Q CA -0.718 55.132 55.803 0.077 0.000 0.966 365 Q CB 0.782 29.552 28.738 0.055 0.000 1.173 365 Q HN 0.800 nan 8.270 nan 0.000 0.509 366 E N 0.375 120.631 120.200 0.093 0.000 2.344 366 E HA 0.292 4.642 4.350 -0.000 0.000 0.270 366 E C -0.906 175.784 176.600 0.150 0.000 1.021 366 E CA -0.418 56.056 56.400 0.124 0.000 0.887 366 E CB 0.816 30.574 29.700 0.096 0.000 0.997 366 E HN 0.479 nan 8.360 nan 0.000 0.429 367 A N 2.837 125.792 122.820 0.226 0.000 2.304 367 A HA 0.460 4.780 4.320 -0.000 0.000 0.271 367 A C -0.459 177.340 177.584 0.359 0.000 1.091 367 A CA -0.517 51.680 52.037 0.266 0.000 0.812 367 A CB 0.764 19.911 19.000 0.245 0.000 1.056 367 A HN 0.392 nan 8.150 nan 0.000 0.489 368 V N 2.102 122.182 119.914 0.277 0.000 2.623 368 V HA 0.350 4.470 4.120 -0.000 0.000 0.304 368 V C -0.945 175.243 176.094 0.157 0.000 1.054 368 V CA -0.453 61.940 62.300 0.155 0.000 0.882 368 V CB 1.401 33.264 31.823 0.067 0.000 1.002 368 V HN 0.830 nan 8.190 nan 0.000 0.424 369 L N 4.663 125.930 121.223 0.073 0.000 2.264 369 L HA 0.739 5.079 4.340 -0.000 0.000 0.289 369 L C 0.056 176.898 176.870 -0.048 0.000 1.044 369 L CA 0.692 55.552 54.840 0.034 0.000 0.807 369 L CB 1.471 43.507 42.059 -0.038 0.000 1.192 369 L HN 0.684 nan 8.230 nan 0.000 0.425 370 S N 6.311 122.010 115.700 -0.002 0.000 2.519 370 S HA 0.663 5.133 4.470 -0.000 0.000 0.309 370 S C -0.437 174.166 174.600 0.005 0.000 1.100 370 S CA -0.381 57.818 58.200 -0.002 0.000 1.059 370 S CB 1.128 64.346 63.200 0.030 0.000 1.008 370 S HN 0.513 nan 8.310 nan 0.000 0.478 371 I N 3.478 124.042 120.570 -0.009 0.000 2.390 371 I HA 0.354 4.524 4.170 -0.000 0.000 0.283 371 I C -1.100 175.012 176.117 -0.007 0.000 1.016 371 I CA -0.642 60.660 61.300 0.003 0.000 1.151 371 I CB 0.950 38.942 38.000 -0.014 0.000 1.293 371 I HN 0.423 nan 8.210 nan 0.000 0.458 372 I N 6.878 127.449 120.570 0.002 0.000 2.325 372 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 372 I C 0.915 177.019 176.117 -0.022 0.000 1.019 372 I CA 0.430 61.710 61.300 -0.034 0.000 1.302 372 I CB 1.106 39.079 38.000 -0.046 0.000 1.401 372 I HN 0.548 nan 8.210 nan 0.000 0.485 373 I N 3.384 123.930 120.570 -0.041 0.000 2.556 373 I HA 0.077 4.247 4.170 -0.000 0.000 0.251 373 I C 0.152 176.232 176.117 -0.062 0.000 1.105 373 I CA 0.891 62.166 61.300 -0.043 0.000 1.436 373 I CB 0.152 38.129 38.000 -0.038 0.000 1.139 373 I HN 0.478 nan 8.210 nan 0.000 0.438 374 D N 0.165 120.523 120.400 -0.071 0.000 2.671 374 D HA 0.249 4.889 4.640 -0.000 0.000 0.232 374 D C -1.909 174.350 176.300 -0.070 0.000 1.114 374 D CA -1.406 52.551 54.000 -0.071 0.000 0.858 374 D CB 2.225 42.978 40.800 -0.078 0.000 1.544 374 D HN -0.126 nan 8.370 nan 0.000 0.471 375 P HA 0.007 nan 4.420 nan 0.000 0.230 375 P C 0.025 177.300 177.300 -0.041 0.000 1.168 375 P CA 0.577 63.655 63.100 -0.038 0.000 0.793 375 P CB 1.370 33.058 31.700 -0.020 0.000 0.851 376 K N 0.250 120.622 120.400 -0.047 0.000 2.482 376 K HA 0.512 4.832 4.320 -0.000 0.000 0.251 376 K C -0.223 176.344 176.600 -0.055 0.000 0.936 376 K CA -0.789 55.465 56.287 -0.054 0.000 0.791 376 K CB 1.902 34.364 32.500 -0.063 0.000 1.213 376 K HN -0.155 nan 8.250 nan 0.000 0.428 377 G N 1.743 110.515 108.800 -0.046 0.000 2.313 377 G HA2 0.452 4.412 3.960 -0.000 0.000 0.250 377 G HA3 0.452 4.412 3.960 -0.000 0.000 0.250 377 G C -0.772 174.115 174.900 -0.022 0.000 1.281 377 G CA -0.025 45.075 45.100 0.000 0.000 0.917 377 G HN 0.640 nan 8.290 nan 0.000 0.501 378 A N 2.225 125.088 122.820 0.072 0.000 2.589 378 A HA 0.736 5.056 4.320 -0.000 0.000 0.296 378 A C -0.910 176.810 177.584 0.227 0.000 1.062 378 A CA -0.628 51.471 52.037 0.105 0.000 0.686 378 A CB 1.284 20.285 19.000 0.002 0.000 1.282 378 A HN 0.701 nan 8.150 nan 0.000 0.404 379 I N 1.628 122.412 120.570 0.357 0.000 2.499 379 I HA 0.426 4.596 4.170 -0.000 0.000 0.288 379 I C -0.516 175.717 176.117 0.194 0.000 1.048 379 I CA -0.316 61.123 61.300 0.233 0.000 1.062 379 I CB 2.168 40.283 38.000 0.191 0.000 1.238 379 I HN 0.884 nan 8.210 nan 0.000 0.426 380 E N 6.534 126.806 120.200 0.120 0.000 2.293 380 E HA 0.640 4.990 4.350 -0.000 0.000 0.270 380 E C -1.645 175.016 176.600 0.103 0.000 0.879 380 E CA -1.026 55.442 56.400 0.114 0.000 0.756 380 E CB 3.218 32.977 29.700 0.098 0.000 1.208 380 E HN 0.325 nan 8.360 nan 0.000 0.428 381 L N 2.170 123.463 121.223 0.118 0.000 2.345 381 L HA 0.367 4.707 4.340 -0.000 0.000 0.274 381 L C -0.795 176.148 176.870 0.121 0.000 0.999 381 L CA -0.503 54.421 54.840 0.139 0.000 0.849 381 L CB 1.372 43.536 42.059 0.174 0.000 1.220 381 L HN 0.620 nan 8.230 nan 0.000 0.422 382 K N 5.621 126.094 120.400 0.122 0.000 2.312 382 K HA 0.557 4.877 4.320 -0.000 0.000 0.287 382 K C -1.439 175.225 176.600 0.106 0.000 1.062 382 K CA -0.306 56.041 56.287 0.100 0.000 0.934 382 K CB 0.485 33.042 32.500 0.095 0.000 1.027 382 K HN 0.697 nan 8.250 nan 0.000 0.478 383 L N 3.407 124.675 121.223 0.075 0.000 2.354 383 L HA 0.379 4.719 4.340 -0.000 0.000 0.264 383 L C -0.185 176.705 176.870 0.034 0.000 1.008 383 L CA -1.218 53.658 54.840 0.060 0.000 0.819 383 L CB 2.096 44.182 42.059 0.046 0.000 1.339 383 L HN 0.675 nan 8.230 nan 0.000 0.420 384 N N 1.207 119.925 118.700 0.030 0.000 2.514 384 N HA 0.608 5.348 4.740 -0.000 0.000 0.277 384 N C -0.553 174.939 175.510 -0.030 0.000 1.126 384 N CA 0.023 53.072 53.050 -0.001 0.000 0.978 384 N CB 2.097 40.595 38.487 0.019 0.000 1.106 384 N HN 0.693 nan 8.380 nan 0.000 0.461 385 A N 1.534 124.306 122.820 -0.080 0.000 2.535 385 A HA 0.428 4.748 4.320 -0.000 0.000 0.296 385 A C -0.851 176.609 177.584 -0.206 0.000 1.248 385 A CA -0.698 51.278 52.037 -0.101 0.000 0.686 385 A CB 1.245 20.205 19.000 -0.066 0.000 1.315 385 A HN 0.559 nan 8.150 nan 0.000 0.460 386 K N 0.733 120.989 120.400 -0.241 0.000 2.205 386 K HA 0.530 4.850 4.320 -0.000 0.000 0.279 386 K C -0.291 176.130 176.600 -0.299 0.000 1.027 386 K CA -0.203 55.830 56.287 -0.424 0.000 0.932 386 K CB 0.730 32.947 32.500 -0.471 0.000 1.032 386 K HN 0.660 nan 8.250 nan 0.000 0.466 387 S N 1.404 116.911 115.700 -0.323 0.000 2.600 387 S HA 0.078 4.548 4.470 -0.000 0.000 0.265 387 S C -0.124 174.375 174.600 -0.169 0.000 1.325 387 S CA -0.790 57.290 58.200 -0.199 0.000 1.002 387 S CB 1.187 64.282 63.200 -0.176 0.000 0.921 387 S HN 0.445 nan 8.310 nan 0.000 0.554 388 V N 2.520 122.370 119.914 -0.107 0.000 2.174 388 V HA 0.310 4.430 4.120 -0.000 0.000 0.259 388 V C 0.171 176.227 176.094 -0.063 0.000 1.261 388 V CA 0.160 62.414 62.300 -0.077 0.000 1.137 388 V CB -0.995 30.796 31.823 -0.053 0.000 1.290 388 V HN 0.741 nan 8.190 nan 0.000 0.486 389 E N 1.083 121.240 120.200 -0.072 0.000 2.433 389 E HA 0.355 4.705 4.350 -0.000 0.000 0.273 389 E C -0.206 176.377 176.600 -0.028 0.000 0.950 389 E CA -0.842 55.530 56.400 -0.047 0.000 0.796 389 E CB 1.824 31.493 29.700 -0.052 0.000 1.330 389 E HN 0.243 nan 8.360 nan 0.000 0.455 390 D N 0.175 120.571 120.400 -0.007 0.000 2.183 390 D HA -0.017 4.623 4.640 -0.000 0.000 0.203 390 D C 0.292 176.611 176.300 0.033 0.000 0.969 390 D CA 0.811 54.818 54.000 0.012 0.000 0.842 390 D CB 0.193 41.001 40.800 0.014 0.000 0.957 390 D HN 0.318 nan 8.370 nan 0.000 0.484 391 A N 0.328 123.169 122.820 0.034 0.000 2.324 391 A HA 0.381 4.701 4.320 -0.000 0.000 0.330 391 A C -0.583 177.054 177.584 0.089 0.000 1.165 391 A CA -0.606 51.477 52.037 0.077 0.000 0.813 391 A CB 0.683 19.725 19.000 0.069 0.000 1.197 391 A HN 0.017 nan 8.150 nan 0.000 0.484 392 F N 2.736 122.699 119.950 0.021 0.000 2.623 392 F HA 0.284 4.811 4.527 -0.000 0.000 0.383 392 F C 0.339 176.140 175.800 0.002 0.000 1.077 392 F CA 1.334 59.344 58.000 0.018 0.000 1.268 392 F CB 0.164 39.198 39.000 0.056 0.000 1.053 392 F HN 0.699 nan 8.300 nan 0.000 0.571 393 N N 2.050 120.475 118.700 -0.459 0.000 2.598 393 N HA 0.287 5.027 4.740 -0.000 0.000 0.263 393 N C -1.342 173.893 175.510 -0.459 0.000 1.254 393 N CA -0.352 52.549 53.050 -0.247 0.000 0.863 393 N CB 1.641 40.056 38.487 -0.119 0.000 1.586 393 N HN 0.594 nan 8.380 nan 0.000 0.491 394 T N -0.955 113.426 114.554 -0.288 0.000 2.934 394 T HA 0.781 5.131 4.350 -0.000 0.000 0.283 394 T C 0.116 174.710 174.700 -0.177 0.000 1.005 394 T CA -0.650 61.270 62.100 -0.301 0.000 1.041 394 T CB 1.304 70.011 68.868 -0.268 0.000 1.042 394 T HN 0.707 nan 8.240 nan 0.000 0.505 395 R N -0.070 120.337 120.500 -0.155 0.000 2.831 395 R HA 0.661 5.001 4.340 -0.000 0.000 0.266 395 R C -1.517 174.747 176.300 -0.061 0.000 1.051 395 R CA -0.872 55.173 56.100 -0.092 0.000 0.943 395 R CB 1.512 31.756 30.300 -0.094 0.000 1.228 395 R HN 0.605 nan 8.270 nan 0.000 0.467 396 T N 1.753 116.289 114.554 -0.030 0.000 2.792 396 T HA 0.565 4.915 4.350 -0.000 0.000 0.280 396 T C -0.149 174.551 174.700 -0.001 0.000 0.990 396 T CA -0.832 61.265 62.100 -0.005 0.000 0.960 396 T CB 0.445 69.322 68.868 0.014 0.000 0.939 396 T HN 0.474 nan 8.240 nan 0.000 0.439 397 I N 1.057 121.632 120.570 0.007 0.000 2.957 397 I HA 0.746 4.916 4.170 -0.000 0.000 0.310 397 I C -1.078 175.059 176.117 0.033 0.000 1.063 397 I CA -0.999 60.309 61.300 0.013 0.000 1.033 397 I CB 2.423 40.425 38.000 0.003 0.000 1.230 397 I HN 0.351 nan 8.210 nan 0.000 0.447 398 D N 5.110 125.533 120.400 0.038 0.000 2.492 398 D HA 0.440 5.080 4.640 -0.000 0.000 0.248 398 D C -0.642 175.694 176.300 0.059 0.000 1.101 398 D CA -0.217 53.816 54.000 0.055 0.000 0.840 398 D CB 2.718 43.551 40.800 0.056 0.000 1.209 398 D HN 0.398 nan 8.370 nan 0.000 0.524 399 L N 1.422 122.689 121.223 0.074 0.000 2.312 399 L HA 0.655 4.995 4.340 -0.000 0.000 0.281 399 L C 0.949 177.881 176.870 0.104 0.000 1.070 399 L CA -0.551 54.338 54.840 0.082 0.000 0.805 399 L CB 1.465 43.576 42.059 0.087 0.000 1.174 399 L HN 0.358 nan 8.230 nan 0.000 0.434 400 G N 1.396 110.264 108.800 0.113 0.000 2.642 400 G HA2 0.568 4.528 3.960 -0.000 0.000 0.293 400 G HA3 0.568 4.528 3.960 -0.000 0.000 0.293 400 G C -2.606 172.424 174.900 0.217 0.000 1.341 400 G CA -0.425 44.760 45.100 0.141 0.000 0.916 400 G HN 0.662 nan 8.290 nan 0.000 0.474 401 W N 1.132 122.441 121.300 0.014 0.000 3.425 401 W HA 0.600 5.260 4.660 -0.000 0.000 0.318 401 W C -0.649 175.871 176.519 0.001 0.000 1.201 401 W CA -0.523 56.827 57.345 0.008 0.000 1.212 401 W CB 1.899 31.365 29.460 0.010 0.000 1.355 401 W HN 0.853 nan 8.180 nan 0.000 0.515 402 T N 1.888 115.824 114.554 -1.031 0.000 2.903 402 T HA 0.582 4.932 4.350 -0.000 0.000 0.299 402 T C -0.103 173.711 174.700 -1.476 0.000 1.093 402 T CA -0.655 60.849 62.100 -0.993 0.000 1.002 402 T CB 0.767 69.374 68.868 -0.435 0.000 1.127 402 T HN 1.185 nan 8.240 nan 0.000 0.488 403 V N 1.473 120.762 119.914 -1.041 0.000 2.814 403 V HA 0.429 4.549 4.120 -0.000 0.000 0.307 403 V C 0.769 176.638 176.094 -0.376 0.000 1.089 403 V CA -0.130 61.805 62.300 -0.608 0.000 1.212 403 V CB -0.566 31.126 31.823 -0.219 0.000 0.912 403 V HN 1.275 nan 8.190 nan 0.000 0.497 404 S N 1.815 117.390 115.700 -0.208 0.000 2.655 404 S HA 0.275 4.745 4.470 -0.000 0.000 0.265 404 S C 0.570 175.125 174.600 -0.075 0.000 1.240 404 S CA 0.174 58.301 58.200 -0.122 0.000 0.986 404 S CB 1.139 64.315 63.200 -0.040 0.000 0.985 404 S HN 0.794 nan 8.310 nan 0.000 0.562 405 D N 0.506 120.875 120.400 -0.053 0.000 2.117 405 D HA -0.039 4.601 4.640 -0.000 0.000 0.197 405 D C 1.823 178.114 176.300 -0.015 0.000 0.987 405 D CA 1.408 55.388 54.000 -0.034 0.000 0.829 405 D CB -0.288 40.495 40.800 -0.027 0.000 0.961 405 D HN 0.756 nan 8.370 nan 0.000 0.460 406 E N 0.682 120.878 120.200 -0.005 0.000 2.110 406 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 406 E C 1.320 177.930 176.600 0.017 0.000 0.988 406 E CA 1.189 57.594 56.400 0.008 0.000 0.804 406 E CB -0.092 29.617 29.700 0.016 0.000 0.745 406 E HN 0.148 nan 8.360 nan 0.000 0.458 407 D N 0.198 120.610 120.400 0.021 0.000 2.104 407 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 407 D C 1.779 178.092 176.300 0.022 0.000 0.994 407 D CA 1.157 55.181 54.000 0.039 0.000 0.830 407 D CB -0.161 40.675 40.800 0.060 0.000 0.959 407 D HN 0.190 nan 8.370 nan 0.000 0.452 408 K N 0.383 120.783 120.400 0.001 0.000 2.009 408 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 408 K C 2.068 178.674 176.600 0.009 0.000 1.049 408 K CA 1.615 57.901 56.287 -0.002 0.000 0.929 408 K CB -0.108 32.383 32.500 -0.016 0.000 0.714 408 K HN 0.091 nan 8.250 nan 0.000 0.440 409 K N 0.605 121.011 120.400 0.010 0.000 2.209 409 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 409 K C 1.282 177.893 176.600 0.019 0.000 1.048 409 K CA 1.695 57.992 56.287 0.016 0.000 0.940 409 K CB 0.050 32.558 32.500 0.014 0.000 0.729 409 K HN 0.008 nan 8.250 nan 0.000 0.451 410 N N 0.229 118.941 118.700 0.021 0.000 2.353 410 N HA -0.004 4.736 4.740 -0.000 0.000 0.185 410 N C -0.497 175.029 175.510 0.027 0.000 1.098 410 N CA 0.452 53.517 53.050 0.024 0.000 0.872 410 N CB 0.404 38.907 38.487 0.028 0.000 0.970 410 N HN 0.136 nan 8.380 nan 0.000 0.467 411 T N 4.125 118.693 114.554 0.024 0.000 2.752 411 T HA 0.178 4.528 4.350 -0.000 0.000 0.295 411 T C -2.202 172.510 174.700 0.020 0.000 0.923 411 T CA -0.905 61.208 62.100 0.022 0.000 1.112 411 T CB 1.235 70.114 68.868 0.018 0.000 0.884 411 T HN 0.123 nan 8.240 nan 0.000 0.525 412 P HA 0.189 nan 4.420 nan 0.000 0.275 412 P C -0.133 177.180 177.300 0.023 0.000 1.227 412 P CA -0.500 62.616 63.100 0.026 0.000 0.781 412 P CB 0.646 32.371 31.700 0.041 0.000 0.906 413 E N 5.445 125.661 120.200 0.026 0.000 2.398 413 E HA 0.050 4.400 4.350 -0.000 0.000 0.263 413 E C -1.543 175.090 176.600 0.055 0.000 1.046 413 E CA -1.277 55.148 56.400 0.040 0.000 0.908 413 E CB -0.028 29.699 29.700 0.046 0.000 0.963 413 E HN 0.229 nan 8.360 nan 0.000 0.431 414 P HA -0.250 nan 4.420 nan 0.000 0.218 414 P C 0.629 177.907 177.300 -0.037 0.000 1.154 414 P CA 1.737 64.823 63.100 -0.024 0.000 0.872 414 P CB -0.197 31.471 31.700 -0.054 0.000 0.790 415 Y N 0.124 120.478 120.300 0.090 0.000 2.352 415 Y HA -0.112 4.438 4.550 -0.000 0.000 0.292 415 Y C 2.866 178.844 175.900 0.130 0.000 1.136 415 Y CA 1.234 59.412 58.100 0.131 0.000 1.227 415 Y CB -0.702 37.820 38.460 0.103 0.000 0.991 415 Y HN 0.085 nan 8.280 nan 0.000 0.545 416 E N 0.141 120.462 120.200 0.201 0.000 2.072 416 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 416 E C 2.298 178.991 176.600 0.154 0.000 0.985 416 E CA 0.553 57.043 56.400 0.150 0.000 0.801 416 E CB 0.109 29.860 29.700 0.086 0.000 0.750 416 E HN 0.193 nan 8.360 nan 0.000 0.452 417 R N 0.296 120.863 120.500 0.111 0.000 2.083 417 R HA -0.125 4.215 4.340 -0.000 0.000 0.237 417 R C 2.358 178.736 176.300 0.130 0.000 1.137 417 R CA 1.576 57.725 56.100 0.082 0.000 0.951 417 R CB -0.603 29.707 30.300 0.017 0.000 0.851 417 R HN 0.379 nan 8.270 nan 0.000 0.434 418 M N -0.303 119.386 119.600 0.147 0.000 2.086 418 M HA -0.162 4.318 4.480 -0.000 0.000 0.261 418 M C 2.391 178.914 176.300 0.373 0.000 1.067 418 M CA 1.594 57.072 55.300 0.296 0.000 1.116 418 M CB -0.415 32.329 32.600 0.240 0.000 1.348 418 M HN 0.072 nan 8.290 nan 0.000 0.407 419 I N -0.983 119.766 120.570 0.300 0.000 2.202 419 I HA -0.330 3.840 4.170 -0.000 0.000 0.242 419 I C 2.534 178.748 176.117 0.162 0.000 1.091 419 I CA 1.561 63.004 61.300 0.239 0.000 1.368 419 I CB -0.715 37.446 38.000 0.267 0.000 1.058 419 I HN 0.397 nan 8.210 nan 0.000 0.410 420 H N 0.832 119.921 119.070 0.031 0.000 2.352 420 H HA -0.223 4.333 4.556 -0.000 0.000 0.299 420 H C 1.821 177.117 175.328 -0.054 0.000 1.097 420 H CA 1.722 57.730 56.048 -0.067 0.000 1.311 420 H CB 0.238 29.916 29.762 -0.140 0.000 1.377 420 H HN 0.259 nan 8.280 nan 0.000 0.504 421 D N -0.537 119.943 120.400 0.133 0.000 2.117 421 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 421 D C 2.144 178.458 176.300 0.023 0.000 0.987 421 D CA 1.673 55.742 54.000 0.116 0.000 0.829 421 D CB -0.590 40.409 40.800 0.332 0.000 0.961 421 D HN 0.387 nan 8.370 nan 0.000 0.460 422 T N 0.624 115.098 114.554 -0.133 0.000 2.788 422 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 422 T C 2.073 176.471 174.700 -0.503 0.000 1.044 422 T CA 0.939 62.605 62.100 -0.723 0.000 1.139 422 T CB -0.154 68.179 68.868 -0.892 0.000 0.867 422 T HN 0.174 nan 8.240 nan 0.000 0.454 423 M N 1.101 120.574 119.600 -0.211 0.000 2.229 423 M HA -0.039 4.441 4.480 -0.000 0.000 0.264 423 M C 1.792 178.005 176.300 -0.145 0.000 1.063 423 M CA 1.433 56.652 55.300 -0.134 0.000 1.114 423 M CB -0.529 32.078 32.600 0.011 0.000 1.387 423 M HN 0.252 nan 8.290 nan 0.000 0.420 424 N N -0.255 118.403 118.700 -0.071 0.000 2.467 424 N HA 0.076 4.816 4.740 -0.000 0.000 0.184 424 N C 0.721 176.178 175.510 -0.089 0.000 1.106 424 N CA 0.357 53.379 53.050 -0.047 0.000 0.892 424 N CB 0.219 38.696 38.487 -0.016 0.000 0.969 424 N HN 0.498 nan 8.380 nan 0.000 0.454 425 G N 1.599 110.303 108.800 -0.159 0.000 2.246 425 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.273 425 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.273 425 G C -0.720 174.241 174.900 0.101 0.000 1.055 425 G CA -0.006 45.064 45.100 -0.050 0.000 0.851 425 G HN 0.345 nan 8.290 nan 0.000 0.500 426 D N -0.163 120.324 120.400 0.144 0.000 2.373 426 D HA 0.523 5.163 4.640 -0.000 0.000 0.227 426 D C 1.363 177.838 176.300 0.291 0.000 1.091 426 D CA 0.224 54.319 54.000 0.158 0.000 0.840 426 D CB 0.588 41.456 40.800 0.113 0.000 1.060 426 D HN 0.183 nan 8.370 nan 0.000 0.502 427 G N 2.156 111.048 108.800 0.153 0.000 3.088 427 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.212 427 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.212 427 G C 1.353 176.366 174.900 0.189 0.000 1.173 427 G CA -0.082 45.101 45.100 0.138 0.000 0.779 427 G HN 0.454 nan 8.290 nan 0.000 0.540 428 S N 1.411 117.196 115.700 0.142 0.000 2.374 428 S HA -0.124 4.346 4.470 -0.000 0.000 0.227 428 S C 1.727 176.390 174.600 0.105 0.000 1.037 428 S CA 0.843 59.075 58.200 0.053 0.000 1.024 428 S CB -0.086 63.130 63.200 0.028 0.000 0.861 428 S HN 0.468 nan 8.310 nan 0.000 0.456 429 N N 0.308 119.081 118.700 0.121 0.000 2.320 429 N HA 0.278 5.018 4.740 -0.000 0.000 0.237 429 N C -1.047 174.198 175.510 -0.441 0.000 1.129 429 N CA 0.176 53.185 53.050 -0.067 0.000 0.854 429 N CB 0.253 38.662 38.487 -0.131 0.000 1.083 429 N HN 0.277 nan 8.380 nan 0.000 0.504 430 F N 0.485 120.448 119.950 0.022 0.000 2.577 430 F HA 0.592 5.119 4.527 0.000 0.000 0.318 430 F C 0.374 176.109 175.800 -0.108 0.000 1.065 430 F CA -1.263 56.724 58.000 -0.022 0.000 0.929 430 F CB 1.218 40.189 39.000 -0.048 0.000 1.237 430 F HN -0.185 nan 8.300 nan 0.000 0.468 431 A N 1.421 124.266 122.820 0.042 0.000 2.302 431 A HA 0.567 4.887 4.320 -0.000 0.000 0.285 431 A C -0.601 176.927 177.584 -0.094 0.000 1.105 431 A CA -0.505 51.489 52.037 -0.072 0.000 0.816 431 A CB 0.275 19.201 19.000 -0.123 0.000 1.067 431 A HN 0.734 nan 8.150 nan 0.000 0.489 432 D N -0.180 120.148 120.400 -0.120 0.000 2.487 432 D HA 0.019 4.659 4.640 -0.000 0.000 0.262 432 D C 1.082 177.338 176.300 -0.073 0.000 1.130 432 D CA -0.830 53.112 54.000 -0.097 0.000 1.038 432 D CB 0.159 40.912 40.800 -0.078 0.000 1.142 432 D HN 0.720 nan 8.370 nan 0.000 0.575 433 W N 0.808 121.999 121.300 -0.182 0.000 2.335 433 W HA -0.239 4.421 4.660 0.000 0.000 0.311 433 W C 1.159 177.611 176.519 -0.112 0.000 1.213 433 W CA 1.341 58.595 57.345 -0.151 0.000 1.274 433 W CB -0.115 29.302 29.460 -0.072 0.000 1.148 433 W HN 0.310 nan 8.180 nan 0.000 0.498 434 N N 0.545 119.066 118.700 -0.298 0.000 2.094 434 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 434 N C 1.880 177.111 175.510 -0.465 0.000 1.023 434 N CA 2.100 54.915 53.050 -0.391 0.000 0.857 434 N CB -1.319 37.070 38.487 -0.163 0.000 1.013 434 N HN 0.315 nan 8.380 nan 0.000 0.426 435 G N 1.040 109.594 108.800 -0.411 0.000 2.404 435 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.215 435 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.215 435 G C 1.785 176.241 174.900 -0.740 0.000 1.174 435 G CA 0.660 45.370 45.100 -0.651 0.000 0.780 435 G HN 0.197 nan 8.290 nan 0.000 0.537 436 V N 2.018 121.605 119.914 -0.545 0.000 2.358 436 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 436 V C 3.293 179.125 176.094 -0.437 0.000 1.047 436 V CA 2.333 64.360 62.300 -0.454 0.000 1.035 436 V CB -0.538 31.103 31.823 -0.304 0.000 0.658 436 V HN 0.607 nan 8.190 nan 0.000 0.452 437 S N 0.411 115.656 115.700 -0.758 0.000 2.370 437 S HA -0.175 4.295 4.470 -0.000 0.000 0.226 437 S C 1.978 176.397 174.600 -0.302 0.000 1.033 437 S CA 1.495 59.351 58.200 -0.575 0.000 1.011 437 S CB -0.523 62.080 63.200 -0.996 0.000 0.852 437 S HN 0.395 nan 8.310 nan 0.000 0.457 438 I N 3.092 123.401 120.570 -0.434 0.000 2.226 438 I HA -0.077 4.093 4.170 -0.000 0.000 0.245 438 I C 3.093 179.031 176.117 -0.298 0.000 1.100 438 I CA 1.156 62.246 61.300 -0.351 0.000 1.374 438 I CB -2.055 35.708 38.000 -0.394 0.000 1.057 438 I HN 0.417 nan 8.210 nan 0.000 0.413 439 A N -0.007 122.540 122.820 -0.455 0.000 1.908 439 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 439 A C 2.255 179.676 177.584 -0.272 0.000 1.181 439 A CA 1.629 53.416 52.037 -0.417 0.000 0.627 439 A CB -1.176 17.470 19.000 -0.590 0.000 0.818 439 A HN 0.520 nan 8.150 nan 0.000 0.445 440 W N -0.075 121.173 121.300 -0.086 0.000 2.379 440 W HA -0.105 4.555 4.660 0.000 0.000 0.307 440 W C 2.453 178.966 176.519 -0.012 0.000 1.200 440 W CA 1.342 58.695 57.345 0.012 0.000 1.297 440 W CB -0.009 29.531 29.460 0.133 0.000 1.140 440 W HN 0.232 nan 8.180 nan 0.000 0.507 441 K N -0.573 119.916 120.400 0.149 0.000 2.032 441 K HA -0.240 4.080 4.320 -0.000 0.000 0.209 441 K C 1.856 178.443 176.600 -0.021 0.000 1.048 441 K CA 1.815 58.091 56.287 -0.019 0.000 0.927 441 K CB -0.791 31.594 32.500 -0.192 0.000 0.712 441 K HN 0.080 nan 8.250 nan 0.000 0.441 442 F N 1.399 121.242 119.950 -0.179 0.000 2.075 442 F HA -0.232 4.295 4.527 -0.000 0.000 0.297 442 F C 1.983 177.648 175.800 -0.225 0.000 1.113 442 F CA 1.277 59.134 58.000 -0.239 0.000 1.218 442 F CB -0.291 38.542 39.000 -0.278 0.000 0.984 442 F HN -0.270 nan 8.300 nan 0.000 0.472 443 V N 0.270 120.130 119.914 -0.091 0.000 2.515 443 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 443 V C 1.990 177.999 176.094 -0.142 0.000 1.058 443 V CA 1.985 64.179 62.300 -0.177 0.000 1.064 443 V CB -0.739 31.028 31.823 -0.094 0.000 0.675 443 V HN 0.278 nan 8.190 nan 0.000 0.461 444 D N 0.771 121.175 120.400 0.008 0.000 2.104 444 D HA -0.141 4.499 4.640 -0.000 0.000 0.194 444 D C 2.265 178.486 176.300 -0.133 0.000 0.994 444 D CA 1.687 55.690 54.000 0.004 0.000 0.830 444 D CB -0.368 40.473 40.800 0.069 0.000 0.959 444 D HN 0.421 nan 8.370 nan 0.000 0.452 445 A N 0.429 123.123 122.820 -0.211 0.000 1.978 445 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 445 A C 2.351 179.738 177.584 -0.327 0.000 1.170 445 A CA 1.050 52.941 52.037 -0.243 0.000 0.636 445 A CB -0.639 18.192 19.000 -0.281 0.000 0.810 445 A HN 0.244 nan 8.150 nan 0.000 0.448 446 I N -0.647 119.626 120.570 -0.495 0.000 2.235 446 I HA -0.169 4.001 4.170 -0.000 0.000 0.241 446 I C 2.663 178.361 176.117 -0.698 0.000 1.085 446 I CA 1.297 62.178 61.300 -0.698 0.000 1.378 446 I CB -0.444 36.995 38.000 -0.934 0.000 1.076 446 I HN 0.222 nan 8.210 nan 0.000 0.415 447 S N 1.258 116.694 115.700 -0.439 0.000 2.370 447 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 447 S C 2.316 176.844 174.600 -0.120 0.000 1.033 447 S CA 1.388 59.449 58.200 -0.232 0.000 1.011 447 S CB -0.547 62.609 63.200 -0.073 0.000 0.852 447 S HN 0.533 nan 8.310 nan 0.000 0.457 448 A N 1.257 124.007 122.820 -0.117 0.000 1.903 448 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 448 A C 2.436 180.005 177.584 -0.025 0.000 1.191 448 A CA 2.050 54.052 52.037 -0.058 0.000 0.638 448 A CB -1.159 17.804 19.000 -0.063 0.000 0.823 448 A HN 0.536 nan 8.150 nan 0.000 0.451 449 V N -1.909 117.974 119.914 -0.052 0.000 2.667 449 V HA -0.141 3.979 4.120 -0.000 0.000 0.252 449 V C 2.125 178.341 176.094 0.203 0.000 1.065 449 V CA 1.799 64.125 62.300 0.043 0.000 1.083 449 V CB -0.870 30.971 31.823 0.030 0.000 0.692 449 V HN 0.552 nan 8.190 nan 0.000 0.468 450 Y N 2.305 122.593 120.300 -0.020 0.000 2.184 450 Y HA -0.045 4.505 4.550 -0.000 0.000 0.290 450 Y C 3.138 179.034 175.900 -0.005 0.000 1.129 450 Y CA 1.755 59.851 58.100 -0.007 0.000 1.144 450 Y CB -1.601 36.854 38.460 -0.009 0.000 0.995 450 Y HN 0.559 nan 8.280 nan 0.000 0.513 451 T N -1.861 112.788 114.554 0.158 0.000 2.788 451 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 451 T C 1.947 176.682 174.700 0.059 0.000 1.044 451 T CA 1.127 63.276 62.100 0.082 0.000 1.139 451 T CB -0.688 68.209 68.868 0.047 0.000 0.867 451 T HN 0.200 nan 8.240 nan 0.000 0.454 452 A N 1.025 123.880 122.820 0.059 0.000 2.235 452 A HA 0.244 4.564 4.320 -0.000 0.000 0.208 452 A C 0.994 178.605 177.584 0.045 0.000 1.172 452 A CA 0.749 52.810 52.037 0.041 0.000 0.786 452 A CB -1.106 17.913 19.000 0.032 0.000 0.804 452 A HN 0.612 nan 8.150 nan 0.000 0.479 453 D N -1.575 118.861 120.400 0.059 0.000 2.708 453 D HA -0.132 4.508 4.640 -0.000 0.000 0.236 453 D C 0.511 176.836 176.300 0.042 0.000 1.146 453 D CA 0.955 54.980 54.000 0.041 0.000 0.662 453 D CB -0.474 40.337 40.800 0.019 0.000 1.059 453 D HN 0.262 nan 8.370 nan 0.000 0.428 454 K N -0.676 119.765 120.400 0.069 0.000 2.500 454 K HA 0.532 4.852 4.320 -0.000 0.000 0.206 454 K C -0.063 176.582 176.600 0.076 0.000 1.034 454 K CA 0.444 56.768 56.287 0.061 0.000 1.179 454 K CB 0.503 33.037 32.500 0.057 0.000 0.884 454 K HN 0.360 nan 8.250 nan 0.000 0.493 455 A N 1.197 124.058 122.820 0.069 0.000 2.574 455 A HA 0.578 4.898 4.320 -0.000 0.000 0.297 455 A C -2.864 174.710 177.584 -0.016 0.000 1.062 455 A CA -1.292 50.782 52.037 0.060 0.000 0.686 455 A CB 1.176 20.275 19.000 0.165 0.000 1.285 455 A HN -0.093 nan 8.150 nan 0.000 0.403 456 P HA 0.303 nan 4.420 nan 0.000 0.270 456 P C -0.811 176.448 177.300 -0.067 0.000 1.223 456 P CA -0.279 62.806 63.100 -0.024 0.000 0.785 456 P CB 0.518 32.220 31.700 0.003 0.000 0.923 457 L N 2.245 123.435 121.223 -0.054 0.000 2.318 457 L HA 0.271 4.611 4.340 -0.000 0.000 0.277 457 L C -0.049 176.818 176.870 -0.004 0.000 1.008 457 L CA -0.572 54.233 54.840 -0.060 0.000 0.846 457 L CB 0.852 42.872 42.059 -0.065 0.000 1.220 457 L HN 0.367 nan 8.230 nan 0.000 0.423 458 E N 2.670 122.890 120.200 0.033 0.000 2.314 458 E HA 0.402 4.752 4.350 -0.000 0.000 0.262 458 E C -0.378 176.272 176.600 0.084 0.000 1.093 458 E CA -0.320 56.114 56.400 0.058 0.000 0.908 458 E CB 1.502 31.247 29.700 0.075 0.000 1.091 458 E HN 0.480 nan 8.360 nan 0.000 0.425 459 T N 0.628 115.226 114.554 0.073 0.000 2.940 459 T HA 0.622 4.972 4.350 -0.000 0.000 0.288 459 T C -0.938 173.846 174.700 0.140 0.000 1.045 459 T CA -0.663 61.467 62.100 0.049 0.000 1.018 459 T CB 0.711 69.576 68.868 -0.004 0.000 1.151 459 T HN 0.473 nan 8.240 nan 0.000 0.529 460 Y N -1.123 119.152 120.300 -0.042 0.000 2.521 460 Y HA 0.568 5.118 4.550 -0.000 0.000 0.328 460 Y C -0.919 174.969 175.900 -0.020 0.000 1.151 460 Y CA -1.697 56.354 58.100 -0.082 0.000 1.054 460 Y CB 0.848 39.185 38.460 -0.204 0.000 1.338 460 Y HN 0.627 nan 8.280 nan 0.000 0.453 461 K N 1.391 121.838 120.400 0.079 0.000 2.298 461 K HA 0.534 4.854 4.320 -0.000 0.000 0.280 461 K C -0.513 176.110 176.600 0.038 0.000 1.032 461 K CA -0.502 55.791 56.287 0.010 0.000 0.958 461 K CB 1.128 33.623 32.500 -0.008 0.000 0.978 461 K HN 0.601 nan 8.250 nan 0.000 0.472 462 S N 1.664 117.358 115.700 -0.009 0.000 2.546 462 S HA 0.249 4.719 4.470 -0.000 0.000 0.290 462 S C 1.156 175.670 174.600 -0.143 0.000 1.262 462 S CA 0.607 58.797 58.200 -0.017 0.000 1.083 462 S CB 0.315 63.550 63.200 0.058 0.000 0.859 462 S HN 0.983 nan 8.310 nan 0.000 0.495 463 G N 2.280 111.034 108.800 -0.077 0.000 2.211 463 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.201 463 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.201 463 G C 0.287 175.144 174.900 -0.072 0.000 0.997 463 G CA 0.073 45.089 45.100 -0.140 0.000 0.652 463 G HN 0.978 nan 8.290 nan 0.000 0.500 464 S N -0.718 114.970 115.700 -0.021 0.000 2.590 464 S HA 0.805 5.275 4.470 -0.000 0.000 0.282 464 S C 1.062 175.612 174.600 -0.083 0.000 1.136 464 S CA -0.254 57.915 58.200 -0.051 0.000 1.030 464 S CB 0.895 64.075 63.200 -0.034 0.000 1.195 464 S HN 0.006 nan 8.310 nan 0.000 0.506 465 M N 1.053 120.559 119.600 -0.157 0.000 2.405 465 M HA 0.367 4.847 4.480 -0.000 0.000 0.292 465 M C 0.785 176.846 176.300 -0.399 0.000 1.111 465 M CA 0.464 55.639 55.300 -0.208 0.000 0.979 465 M CB -0.544 31.929 32.600 -0.211 0.000 1.426 465 M HN 1.112 nan 8.290 nan 0.000 0.509 466 G N 1.500 109.935 108.800 -0.608 0.000 2.371 466 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.663 466 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.663 466 G C -3.227 171.276 174.900 -0.662 0.000 1.311 466 G CA -1.203 43.142 45.100 -1.258 0.000 0.985 466 G HN 0.050 nan 8.290 nan 0.000 0.566 467 P HA 0.222 nan 4.420 nan 0.000 0.272 467 P C 0.808 178.039 177.300 -0.114 0.000 1.223 467 P CA 0.322 63.304 63.100 -0.198 0.000 0.784 467 P CB 0.983 32.615 31.700 -0.112 0.000 0.923 468 E N 1.561 121.737 120.200 -0.041 0.000 2.265 468 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 468 E C 1.691 178.306 176.600 0.025 0.000 0.996 468 E CA 1.236 57.632 56.400 -0.008 0.000 0.832 468 E CB -0.759 28.940 29.700 -0.002 0.000 0.756 468 E HN 0.393 nan 8.360 nan 0.000 0.491 469 A N 1.027 123.866 122.820 0.031 0.000 2.076 469 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 469 A C 2.354 180.005 177.584 0.112 0.000 1.160 469 A CA 1.539 53.613 52.037 0.063 0.000 0.653 469 A CB -0.759 18.283 19.000 0.070 0.000 0.801 469 A HN 0.362 nan 8.150 nan 0.000 0.455 470 S N -0.289 115.497 115.700 0.144 0.000 2.368 470 S HA -0.167 4.303 4.470 -0.000 0.000 0.224 470 S C 1.665 176.473 174.600 0.345 0.000 1.029 470 S CA 1.575 59.955 58.200 0.299 0.000 0.988 470 S CB -0.411 62.973 63.200 0.306 0.000 0.838 470 S HN 0.602 nan 8.310 nan 0.000 0.462 471 D N 0.787 121.332 120.400 0.241 0.000 2.144 471 D HA -0.034 4.606 4.640 -0.000 0.000 0.200 471 D C 1.965 178.279 176.300 0.024 0.000 0.978 471 D CA 0.904 55.002 54.000 0.164 0.000 0.833 471 D CB -0.246 40.624 40.800 0.116 0.000 0.961 471 D HN 0.398 nan 8.370 nan 0.000 0.470 472 K N 0.207 120.628 120.400 0.035 0.000 2.209 472 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 472 K C 2.020 178.612 176.600 -0.013 0.000 1.048 472 K CA 0.255 56.546 56.287 0.006 0.000 0.940 472 K CB -0.078 32.433 32.500 0.018 0.000 0.729 472 K HN -0.004 nan 8.250 nan 0.000 0.451 473 L N 0.457 121.680 121.223 -0.001 0.000 2.017 473 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 473 L C 1.610 178.403 176.870 -0.129 0.000 1.073 473 L CA 1.621 56.452 54.840 -0.014 0.000 0.745 473 L CB -0.237 41.846 42.059 0.039 0.000 0.894 473 L HN 0.062 nan 8.230 nan 0.000 0.432 474 L N -0.257 120.745 121.223 -0.369 0.000 2.131 474 L HA 0.037 4.377 4.340 -0.000 0.000 0.206 474 L C 2.675 179.383 176.870 -0.269 0.000 1.087 474 L CA 1.608 56.081 54.840 -0.612 0.000 0.767 474 L CB -1.462 39.943 42.059 -1.089 0.000 0.917 474 L HN 0.298 nan 8.230 nan 0.000 0.441 475 A N -0.161 122.553 122.820 -0.177 0.000 1.986 475 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 475 A C 2.480 180.037 177.584 -0.045 0.000 1.171 475 A CA 1.780 53.763 52.037 -0.091 0.000 0.640 475 A CB -0.896 18.071 19.000 -0.056 0.000 0.811 475 A HN 0.381 nan 8.150 nan 0.000 0.451 476 A N -0.423 122.380 122.820 -0.027 0.000 2.076 476 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 476 A C 1.539 179.141 177.584 0.030 0.000 1.160 476 A CA 1.621 53.663 52.037 0.008 0.000 0.653 476 A CB -0.350 18.666 19.000 0.026 0.000 0.801 476 A HN 0.536 nan 8.150 nan 0.000 0.455 477 N N -1.259 117.461 118.700 0.034 0.000 2.204 477 N HA 0.221 4.961 4.740 -0.000 0.000 0.219 477 N C 0.864 176.390 175.510 0.025 0.000 1.151 477 N CA 0.796 53.881 53.050 0.058 0.000 0.867 477 N CB 0.647 39.212 38.487 0.129 0.000 1.043 477 N HN 0.540 nan 8.380 nan 0.000 0.516 478 G N 1.091 109.887 108.800 -0.006 0.000 2.176 478 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.252 478 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.252 478 G C -0.569 174.310 174.900 -0.035 0.000 1.024 478 G CA 0.151 45.241 45.100 -0.016 0.000 0.755 478 G HN 0.260 nan 8.290 nan 0.000 0.507 479 D N -0.316 120.035 120.400 -0.081 0.000 2.414 479 D HA 0.864 5.504 4.640 -0.000 0.000 0.241 479 D C 0.313 176.473 176.300 -0.234 0.000 1.008 479 D CA 0.550 54.468 54.000 -0.138 0.000 1.001 479 D CB 1.913 42.635 40.800 -0.129 0.000 1.277 479 D HN 0.987 nan 8.370 nan 0.000 0.538 480 A N -0.074 122.591 122.820 -0.259 0.000 2.589 480 A HA 0.475 4.795 4.320 -0.000 0.000 0.296 480 A C -1.831 175.627 177.584 -0.210 0.000 1.062 480 A CA -0.877 51.018 52.037 -0.236 0.000 0.686 480 A CB 0.603 19.555 19.000 -0.080 0.000 1.282 480 A HN 0.480 nan 8.150 nan 0.000 0.404 481 W N 1.554 122.799 121.300 -0.092 0.000 2.210 481 W HA 0.335 4.995 4.660 -0.000 0.000 0.330 481 W C 1.596 178.111 176.519 -0.007 0.000 1.334 481 W CA 0.712 58.031 57.345 -0.044 0.000 1.227 481 W CB 1.147 30.593 29.460 -0.023 0.000 1.178 481 W HN 0.740 nan 8.180 nan 0.000 0.560 482 V N 4.076 124.152 119.914 0.270 0.000 2.535 482 V HA -0.007 4.113 4.120 -0.000 0.000 0.246 482 V C 0.479 176.705 176.094 0.219 0.000 1.045 482 V CA 0.833 63.244 62.300 0.185 0.000 1.058 482 V CB -0.666 31.238 31.823 0.136 0.000 0.689 482 V HN 0.346 nan 8.190 nan 0.000 0.461 483 F N 2.375 122.399 119.950 0.124 0.000 2.421 483 F HA 0.529 5.056 4.527 -0.000 0.000 0.358 483 F C 0.850 176.678 175.800 0.047 0.000 1.115 483 F CA -0.833 57.207 58.000 0.066 0.000 1.160 483 F CB 0.854 39.881 39.000 0.045 0.000 1.123 483 F HN -0.029 nan 8.300 nan 0.000 0.508 484 K N 4.736 124.798 120.400 -0.562 0.000 2.455 484 K HA 0.429 4.749 4.320 -0.000 0.000 0.206 484 K C 0.481 176.688 176.600 -0.654 0.000 1.027 484 K CA 0.399 56.417 56.287 -0.448 0.000 1.113 484 K CB 0.079 32.454 32.500 -0.209 0.000 0.850 484 K HN 0.915 nan 8.250 nan 0.000 0.503 485 G N 0.000 107.972 108.800 -1.380 0.000 5.446 485 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 485 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 485 G CA 0.000 44.585 45.100 -0.859 0.000 0.502 485 G HN 0.000 nan 8.290 nan 0.000 0.925