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 2vao_1_B DATA FIRST_RESID 6 DATA SEQUENCE EFRPLTLPPK LSLSDFNEFI QDIIRIVGSE NVEVISSKDQ IVDGSYMKPT DATA SEQUENCE HTHDPHHVMD QDYFLASAIV APRNVADVQS IVGLANKFSF PLWPISIGRN DATA SEQUENCE SGYGGAAPRV SGSVVLDMGK NMNRVLEVNV EGAYCVVEPG VTYHDLHNYL DATA SEQUENCE EANNLRDKLW LDVPDLGGGS VLGNAVERGV GYTPYGDHWM MHSGMEVVLA DATA SEQUENCE NGELLRTGMG ALPDPKRPET MGLKPEDQPW SKIAHLFPYG FGPYIDGLFS DATA SEQUENCE QSNMGIVTKI GIWLMPNPRG YQSYLITLPK DGDLKQAVDI IRPLRLGMAL DATA SEQUENCE QNVPTIRHIL LDAAVLGDKR SYSSRTEPLS DEELDKIAKQ LNLGRWNFYG DATA SEQUENCE ALYGPEPIRR VLWETIKDAF SAIPGVKFYF PEDTPENSVL RVRDKTMQGI DATA SEQUENCE PTYDELKWID WLPNGAHLFF SPIAKVSGED AMMQYAVTKK RCQEAGLDFI DATA SEQUENCE GTFTVGMREM HHIVCIVFNK KDLIQKRKVQ WLMRTLIDDC AANGWGEYRT DATA SEQUENCE HLAFMDQIME TYNWNNSSFL RFNEVLKNAV DPNGIIAPGK SGVWPSQYSH DATA SEQUENCE VTWKL 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.794 176.600 0.323 0.000 1.382 6 E CA 0.000 56.565 56.400 0.275 0.000 0.976 6 E CB 0.000 29.890 29.700 0.316 0.000 0.812 7 F N 0.674 120.742 119.950 0.196 0.000 2.149 7 F HA 0.252 4.779 4.527 -0.001 0.000 0.294 7 F C 1.664 177.557 175.800 0.155 0.000 1.095 7 F CA 1.758 59.876 58.000 0.196 0.000 1.276 7 F CB 0.461 39.522 39.000 0.102 0.000 1.023 7 F HN 0.310 nan 8.300 nan 0.000 0.480 8 R N 0.374 121.043 120.500 0.281 0.000 2.472 8 R HA 0.288 4.628 4.340 -0.001 0.000 0.294 8 R C -2.756 173.497 176.300 -0.079 0.000 1.243 8 R CA -1.895 54.226 56.100 0.036 0.000 1.023 8 R CB 0.990 31.328 30.300 0.062 0.000 1.157 8 R HN -0.093 nan 8.270 nan 0.000 0.530 9 P HA 0.099 nan 4.420 nan 0.000 0.276 9 P C 0.345 177.527 177.300 -0.196 0.000 1.244 9 P CA -0.567 62.376 63.100 -0.260 0.000 0.801 9 P CB 0.900 32.258 31.700 -0.571 0.000 1.006 10 L N 0.012 121.172 121.223 -0.105 0.000 2.217 10 L HA 0.064 4.403 4.340 -0.001 0.000 0.211 10 L C 0.971 177.788 176.870 -0.089 0.000 1.107 10 L CA 1.935 56.728 54.840 -0.079 0.000 0.783 10 L CB -0.860 41.170 42.059 -0.048 0.000 0.919 10 L HN 0.412 nan 8.230 nan 0.000 0.442 11 T N -0.089 114.408 114.554 -0.095 0.000 2.971 11 T HA 0.551 4.900 4.350 -0.001 0.000 0.304 11 T C -0.526 174.124 174.700 -0.084 0.000 1.038 11 T CA -0.531 61.527 62.100 -0.070 0.000 1.007 11 T CB 1.984 70.844 68.868 -0.014 0.000 1.055 11 T HN -0.207 nan 8.240 nan 0.000 0.451 12 L N 4.606 125.776 121.223 -0.088 0.000 2.344 12 L HA 0.573 4.912 4.340 -0.001 0.000 0.272 12 L C -1.904 174.953 176.870 -0.022 0.000 1.035 12 L CA -2.354 52.425 54.840 -0.102 0.000 0.807 12 L CB 1.373 43.350 42.059 -0.136 0.000 1.237 12 L HN 0.352 nan 8.230 nan 0.000 0.442 13 P HA 0.263 nan 4.420 nan 0.000 0.279 13 P C -2.711 174.578 177.300 -0.019 0.000 1.282 13 P CA -1.747 61.365 63.100 0.021 0.000 0.788 13 P CB -0.407 31.237 31.700 -0.094 0.000 1.139 14 P HA 0.039 nan 4.420 nan 0.000 0.268 14 P C -0.014 177.255 177.300 -0.053 0.000 1.205 14 P CA 0.438 63.553 63.100 0.025 0.000 0.771 14 P CB -0.176 31.545 31.700 0.034 0.000 0.858 15 K N -0.925 119.452 120.400 -0.038 0.000 2.971 15 K HA -0.219 4.101 4.320 -0.001 0.000 0.265 15 K C 0.001 176.566 176.600 -0.059 0.000 1.052 15 K CA 0.488 56.749 56.287 -0.043 0.000 0.780 15 K CB -2.024 30.449 32.500 -0.046 0.000 1.214 15 K HN 0.232 nan 8.250 nan 0.000 0.478 16 L N 1.207 122.371 121.223 -0.098 0.000 2.292 16 L HA 0.230 4.570 4.340 -0.001 0.000 0.284 16 L C 0.678 177.509 176.870 -0.065 0.000 1.065 16 L CA 0.206 54.968 54.840 -0.130 0.000 0.806 16 L CB 1.371 43.243 42.059 -0.312 0.000 1.175 16 L HN 0.271 nan 8.230 nan 0.000 0.431 17 S N 3.468 119.161 115.700 -0.012 0.000 2.669 17 S HA 0.217 4.687 4.470 -0.001 0.000 0.270 17 S C 0.852 175.476 174.600 0.040 0.000 1.225 17 S CA -0.567 57.641 58.200 0.013 0.000 0.991 17 S CB 0.910 64.133 63.200 0.038 0.000 0.987 17 S HN 0.634 nan 8.310 nan 0.000 0.552 18 L N 1.667 122.919 121.223 0.047 0.000 2.109 18 L HA 0.078 4.418 4.340 -0.001 0.000 0.207 18 L C 2.609 179.563 176.870 0.140 0.000 1.086 18 L CA 2.186 57.080 54.840 0.091 0.000 0.760 18 L CB -1.293 40.802 42.059 0.060 0.000 0.910 18 L HN 0.941 nan 8.230 nan 0.000 0.437 19 S N -0.831 114.930 115.700 0.101 0.000 2.383 19 S HA -0.174 4.296 4.470 -0.001 0.000 0.227 19 S C 1.652 176.310 174.600 0.097 0.000 1.026 19 S CA 1.376 59.630 58.200 0.091 0.000 0.981 19 S CB -0.397 62.850 63.200 0.079 0.000 0.818 19 S HN 0.572 nan 8.310 nan 0.000 0.472 20 D N 0.593 121.064 120.400 0.119 0.000 2.097 20 D HA -0.086 4.554 4.640 -0.001 0.000 0.195 20 D C 1.520 177.816 176.300 -0.007 0.000 0.989 20 D CA 1.062 55.145 54.000 0.138 0.000 0.827 20 D CB -0.620 40.292 40.800 0.187 0.000 0.966 20 D HN 0.524 nan 8.370 nan 0.000 0.456 21 F N 2.023 121.913 119.950 -0.100 0.000 2.095 21 F HA -0.202 4.325 4.527 -0.001 0.000 0.298 21 F C 1.925 177.721 175.800 -0.008 0.000 1.104 21 F CA 1.396 59.339 58.000 -0.095 0.000 1.232 21 F CB -0.272 38.690 39.000 -0.063 0.000 0.987 21 F HN -0.116 nan 8.300 nan 0.000 0.475 22 N N 0.428 119.196 118.700 0.113 0.000 2.149 22 N HA -0.239 4.501 4.740 -0.001 0.000 0.188 22 N C 1.932 177.338 175.510 -0.173 0.000 1.019 22 N CA 1.615 54.623 53.050 -0.070 0.000 0.857 22 N CB -0.450 37.994 38.487 -0.071 0.000 0.997 22 N HN 0.570 nan 8.380 nan 0.000 0.426 23 E N 0.420 120.547 120.200 -0.123 0.000 2.017 23 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 23 E C 1.886 178.346 176.600 -0.233 0.000 0.997 23 E CA 0.739 57.073 56.400 -0.110 0.000 0.804 23 E CB -0.199 29.528 29.700 0.045 0.000 0.757 23 E HN 0.202 nan 8.360 nan 0.000 0.448 24 F N 1.292 120.835 119.950 -0.678 0.000 2.045 24 F HA -0.310 4.216 4.527 -0.001 0.000 0.297 24 F C 2.216 177.741 175.800 -0.459 0.000 1.114 24 F CA 1.946 59.507 58.000 -0.731 0.000 1.207 24 F CB -0.496 38.088 39.000 -0.694 0.000 0.964 24 F HN 0.144 nan 8.300 nan 0.000 0.486 25 I N 0.505 120.968 120.570 -0.178 0.000 2.423 25 I HA -0.274 3.896 4.170 -0.001 0.000 0.254 25 I C 2.197 178.172 176.117 -0.237 0.000 1.151 25 I CA 1.400 62.538 61.300 -0.270 0.000 1.421 25 I CB -0.655 37.026 38.000 -0.531 0.000 1.079 25 I HN 0.312 nan 8.210 nan 0.000 0.431 26 Q N 0.164 119.832 119.800 -0.219 0.000 2.062 26 Q HA -0.144 4.196 4.340 -0.001 0.000 0.196 26 Q C 1.851 177.760 176.000 -0.151 0.000 0.967 26 Q CA 1.698 57.406 55.803 -0.159 0.000 0.832 26 Q CB -0.361 28.300 28.738 -0.129 0.000 0.899 26 Q HN 0.531 nan 8.270 nan 0.000 0.442 27 D N 0.544 120.838 120.400 -0.176 0.000 2.144 27 D HA -0.097 4.543 4.640 -0.001 0.000 0.199 27 D C 1.939 178.121 176.300 -0.197 0.000 0.984 27 D CA 0.705 54.614 54.000 -0.151 0.000 0.834 27 D CB -0.219 40.501 40.800 -0.134 0.000 0.955 27 D HN 0.219 nan 8.370 nan 0.000 0.465 28 I N 0.540 120.928 120.570 -0.304 0.000 2.179 28 I HA -0.207 3.963 4.170 -0.001 0.000 0.242 28 I C 2.214 178.221 176.117 -0.183 0.000 1.088 28 I CA 0.914 62.030 61.300 -0.307 0.000 1.357 28 I CB -0.198 37.531 38.000 -0.451 0.000 1.051 28 I HN -0.005 nan 8.210 nan 0.000 0.409 29 I N 0.339 120.821 120.570 -0.146 0.000 2.361 29 I HA -0.267 3.902 4.170 -0.001 0.000 0.251 29 I C 2.592 178.663 176.117 -0.077 0.000 1.133 29 I CA 1.014 62.260 61.300 -0.090 0.000 1.413 29 I CB -0.441 37.521 38.000 -0.063 0.000 1.073 29 I HN 0.182 nan 8.210 nan 0.000 0.424 30 R N 0.936 121.384 120.500 -0.087 0.000 2.293 30 R HA -0.095 4.245 4.340 -0.001 0.000 0.219 30 R C 1.761 178.021 176.300 -0.066 0.000 1.091 30 R CA 0.998 57.057 56.100 -0.068 0.000 1.004 30 R CB 0.069 30.328 30.300 -0.068 0.000 0.865 30 R HN 0.417 nan 8.270 nan 0.000 0.469 31 I N -1.505 119.015 120.570 -0.083 0.000 3.578 31 I HA -0.088 4.082 4.170 -0.001 0.000 0.238 31 I C 1.902 177.982 176.117 -0.061 0.000 1.080 31 I CA 0.310 61.566 61.300 -0.073 0.000 1.538 31 I CB -0.276 37.670 38.000 -0.091 0.000 1.477 31 I HN -0.018 nan 8.210 nan 0.000 0.464 32 V N 0.127 119.998 119.914 -0.071 0.000 3.078 32 V HA 0.308 4.428 4.120 -0.001 0.000 0.265 32 V C 0.852 176.921 176.094 -0.042 0.000 1.122 32 V CA 0.462 62.728 62.300 -0.056 0.000 1.141 32 V CB -1.548 30.235 31.823 -0.066 0.000 0.735 32 V HN 0.677 nan 8.190 nan 0.000 0.498 33 G N 0.366 109.142 108.800 -0.041 0.000 2.719 33 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.686 33 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.686 33 G C 0.297 175.183 174.900 -0.023 0.000 1.201 33 G CA 0.162 45.246 45.100 -0.027 0.000 0.768 33 G HN 1.286 nan 8.290 nan 0.000 0.629 34 S N 0.003 115.696 115.700 -0.012 0.000 2.419 34 S HA -0.089 4.380 4.470 -0.001 0.000 0.233 34 S C 1.706 176.310 174.600 0.005 0.000 1.016 34 S CA 1.789 59.989 58.200 -0.001 0.000 0.974 34 S CB -0.040 63.164 63.200 0.008 0.000 0.786 34 S HN 0.685 nan 8.310 nan 0.000 0.492 35 E N 2.341 122.541 120.200 0.001 0.000 2.153 35 E HA -0.022 4.327 4.350 -0.001 0.000 0.194 35 E C 1.167 177.767 176.600 -0.000 0.000 0.988 35 E CA 0.717 57.119 56.400 0.004 0.000 0.811 35 E CB -0.499 29.202 29.700 0.001 0.000 0.746 35 E HN 0.594 nan 8.360 nan 0.000 0.466 36 N N 0.416 119.110 118.700 -0.011 0.000 2.383 36 N HA 0.016 4.755 4.740 -0.001 0.000 0.192 36 N C -0.236 175.263 175.510 -0.018 0.000 1.141 36 N CA 0.164 53.201 53.050 -0.021 0.000 0.851 36 N CB 1.114 39.581 38.487 -0.032 0.000 0.976 36 N HN -0.069 nan 8.380 nan 0.000 0.465 37 V N 0.129 120.042 119.914 -0.002 0.000 2.876 37 V HA 0.406 4.526 4.120 -0.001 0.000 0.312 37 V C -0.339 175.781 176.094 0.043 0.000 1.085 37 V CA -0.947 61.361 62.300 0.013 0.000 0.945 37 V CB 3.133 34.959 31.823 0.005 0.000 1.017 37 V HN -0.045 nan 8.190 nan 0.000 0.428 38 E N 1.884 122.123 120.200 0.066 0.000 2.278 38 E HA 0.638 4.988 4.350 -0.001 0.000 0.272 38 E C -1.714 174.962 176.600 0.128 0.000 0.890 38 E CA -0.361 56.094 56.400 0.092 0.000 0.770 38 E CB 2.516 32.273 29.700 0.094 0.000 1.212 38 E HN 0.461 nan 8.360 nan 0.000 0.415 39 V N 4.400 124.406 119.914 0.153 0.000 3.262 39 V HA 0.445 4.565 4.120 -0.001 0.000 0.313 39 V C 0.295 176.485 176.094 0.160 0.000 1.070 39 V CA -0.491 61.938 62.300 0.216 0.000 1.049 39 V CB 1.520 33.516 31.823 0.287 0.000 1.157 39 V HN 0.664 nan 8.190 nan 0.000 0.454 40 I N 1.177 121.833 120.570 0.144 0.000 2.714 40 I HA 0.196 4.365 4.170 -0.001 0.000 0.276 40 I C 0.804 176.949 176.117 0.047 0.000 1.196 40 I CA 0.122 61.477 61.300 0.092 0.000 1.068 40 I CB 1.478 39.536 38.000 0.096 0.000 1.291 40 I HN 0.579 nan 8.210 nan 0.000 0.530 41 S N 1.778 117.511 115.700 0.055 0.000 2.387 41 S HA 0.005 4.475 4.470 -0.001 0.000 0.226 41 S C 0.828 175.436 174.600 0.013 0.000 1.026 41 S CA 0.841 59.063 58.200 0.036 0.000 0.972 41 S CB 0.093 63.331 63.200 0.063 0.000 0.814 41 S HN 0.770 nan 8.310 nan 0.000 0.477 42 S N -0.311 115.399 115.700 0.016 0.000 2.671 42 S HA 0.459 4.929 4.470 -0.001 0.000 0.277 42 S C -0.436 174.162 174.600 -0.003 0.000 1.165 42 S CA -0.989 57.212 58.200 0.002 0.000 0.822 42 S CB 1.152 64.353 63.200 0.001 0.000 1.150 42 S HN 0.039 nan 8.310 nan 0.000 0.479 43 K N 0.294 120.686 120.400 -0.014 0.000 2.616 43 K HA 0.019 4.338 4.320 -0.001 0.000 0.192 43 K C -0.212 176.381 176.600 -0.012 0.000 1.031 43 K CA 0.579 56.853 56.287 -0.023 0.000 1.004 43 K CB -0.443 32.040 32.500 -0.028 0.000 0.810 43 K HN 0.455 nan 8.250 nan 0.000 0.497 44 D N 1.373 121.774 120.400 0.001 0.000 2.352 44 D HA -0.116 4.523 4.640 -0.001 0.000 0.232 44 D C 1.643 177.953 176.300 0.016 0.000 1.055 44 D CA 0.610 54.615 54.000 0.010 0.000 0.891 44 D CB 0.130 40.939 40.800 0.014 0.000 0.897 44 D HN 0.494 nan 8.370 nan 0.000 0.529 45 Q N 0.172 119.976 119.800 0.007 0.000 2.311 45 Q HA -0.006 4.334 4.340 -0.001 0.000 0.203 45 Q C 1.882 177.864 176.000 -0.031 0.000 0.954 45 Q CA 0.349 56.155 55.803 0.006 0.000 0.885 45 Q CB -0.369 28.361 28.738 -0.014 0.000 0.963 45 Q HN 0.217 nan 8.270 nan 0.000 0.471 46 I N 1.824 122.364 120.570 -0.050 0.000 2.830 46 I HA -0.196 3.974 4.170 -0.001 0.000 0.271 46 I C 0.132 176.246 176.117 -0.005 0.000 1.231 46 I CA 0.382 61.645 61.300 -0.062 0.000 1.444 46 I CB -0.336 37.651 38.000 -0.021 0.000 1.122 46 I HN 0.088 nan 8.210 nan 0.000 0.477 47 V N 2.197 122.132 119.914 0.035 0.000 2.397 47 V HA -0.057 4.063 4.120 -0.001 0.000 0.262 47 V C 1.060 177.299 176.094 0.242 0.000 1.047 47 V CA 0.381 62.745 62.300 0.108 0.000 1.003 47 V CB 0.637 32.513 31.823 0.088 0.000 1.037 47 V HN 0.200 nan 8.190 nan 0.000 0.480 48 D N 3.326 123.906 120.400 0.299 0.000 2.271 48 D HA 0.204 4.843 4.640 -0.001 0.000 0.206 48 D C 1.376 177.796 176.300 0.200 0.000 0.967 48 D CA 1.377 55.631 54.000 0.424 0.000 0.867 48 D CB 0.770 41.793 40.800 0.371 0.000 0.960 48 D HN 0.809 nan 8.370 nan 0.000 0.509 49 G N 0.523 109.405 108.800 0.137 0.000 2.488 49 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.237 49 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.237 49 G C -0.359 174.578 174.900 0.062 0.000 1.209 49 G CA 0.152 45.297 45.100 0.074 0.000 0.929 49 G HN 0.776 nan 8.290 nan 0.000 0.578 50 S N -2.536 113.193 115.700 0.048 0.000 2.567 50 S HA 0.549 5.019 4.470 -0.001 0.000 0.270 50 S C 0.135 174.784 174.600 0.082 0.000 1.152 50 S CA 0.539 58.778 58.200 0.065 0.000 0.835 50 S CB 1.291 64.515 63.200 0.040 0.000 1.115 50 S HN 1.906 nan 8.310 nan 0.000 0.459 51 Y N 1.900 122.187 120.300 -0.021 0.000 2.165 51 Y HA -0.108 4.441 4.550 -0.001 0.000 0.286 51 Y C 2.315 178.177 175.900 -0.063 0.000 1.155 51 Y CA 2.407 60.487 58.100 -0.033 0.000 1.164 51 Y CB -0.508 37.928 38.460 -0.040 0.000 0.978 51 Y HN 0.733 nan 8.280 nan 0.000 0.513 52 M N -0.297 119.327 119.600 0.040 0.000 2.144 52 M HA -0.220 4.260 4.480 -0.001 0.000 0.260 52 M C 0.293 176.536 176.300 -0.095 0.000 1.067 52 M CA 1.860 57.117 55.300 -0.072 0.000 1.095 52 M CB -0.163 32.396 32.600 -0.068 0.000 1.365 52 M HN -0.025 nan 8.290 nan 0.000 0.406 53 K N 0.439 120.801 120.400 -0.065 0.000 2.827 53 K HA 0.292 4.611 4.320 -0.001 0.000 0.186 53 K C -2.531 174.016 176.600 -0.089 0.000 1.093 53 K CA -1.537 54.714 56.287 -0.060 0.000 0.993 53 K CB 1.168 33.654 32.500 -0.023 0.000 1.199 53 K HN -0.074 nan 8.250 nan 0.000 0.598 54 P HA -0.059 nan 4.420 nan 0.000 0.265 54 P C -0.088 176.923 177.300 -0.481 0.000 1.193 54 P CA 0.036 62.984 63.100 -0.254 0.000 0.765 54 P CB 0.910 32.455 31.700 -0.260 0.000 0.823 55 T N 1.732 116.072 114.554 -0.357 0.000 2.909 55 T HA 0.208 4.557 4.350 -0.001 0.000 0.289 55 T C 0.806 175.246 174.700 -0.435 0.000 1.005 55 T CA -0.082 61.833 62.100 -0.308 0.000 1.084 55 T CB 0.173 69.024 68.868 -0.029 0.000 0.975 55 T HN 0.395 nan 8.240 nan 0.000 0.509 56 H N 0.606 119.716 119.070 0.067 0.000 2.557 56 H HA 0.111 4.666 4.556 -0.001 0.000 0.281 56 H C 2.415 177.806 175.328 0.104 0.000 0.990 56 H CA 1.032 57.124 56.048 0.073 0.000 1.278 56 H CB 0.059 29.867 29.762 0.077 0.000 1.451 56 H HN 0.705 nan 8.280 nan 0.000 0.516 57 T N -0.427 114.283 114.554 0.260 0.000 2.778 57 T HA -0.209 4.141 4.350 -0.001 0.000 0.269 57 T C 0.827 175.717 174.700 0.317 0.000 1.050 57 T CA 1.808 64.073 62.100 0.274 0.000 1.137 57 T CB -0.312 68.746 68.868 0.317 0.000 0.860 57 T HN 0.658 nan 8.240 nan 0.000 0.468 58 H N -1.160 117.976 119.070 0.110 0.000 2.954 58 H HA 0.469 5.025 4.556 -0.001 0.000 0.262 58 H C -1.973 173.447 175.328 0.154 0.000 1.515 58 H CA -0.818 55.308 56.048 0.130 0.000 1.179 58 H CB 0.381 30.238 29.762 0.159 0.000 1.888 58 H HN 0.086 nan 8.280 nan 0.000 0.645 59 D N 2.466 122.935 120.400 0.114 0.000 2.339 59 D HA 0.197 4.837 4.640 -0.001 0.000 0.241 59 D C -1.476 174.968 176.300 0.239 0.000 1.183 59 D CA -2.323 51.765 54.000 0.147 0.000 0.859 59 D CB 1.314 42.361 40.800 0.412 0.000 1.067 59 D HN 0.175 nan 8.370 nan 0.000 0.484 60 P HA -0.132 nan 4.420 nan 0.000 0.216 60 P C 0.534 177.976 177.300 0.237 0.000 1.153 60 P CA 1.052 64.285 63.100 0.222 0.000 0.844 60 P CB 0.095 31.917 31.700 0.203 0.000 0.787 61 H N -0.389 118.720 119.070 0.065 0.000 2.842 61 H HA 0.039 4.595 4.556 -0.001 0.000 0.312 61 H C 0.212 175.681 175.328 0.236 0.000 1.137 61 H CA -0.419 55.666 56.048 0.062 0.000 1.176 61 H CB -0.989 28.860 29.762 0.145 0.000 1.361 61 H HN 0.421 nan 8.280 nan 0.000 0.557 62 H N -0.800 118.523 119.070 0.422 0.000 3.138 62 H HA 0.033 4.589 4.556 -0.001 0.000 0.275 62 H C 1.341 176.906 175.328 0.396 0.000 0.997 62 H CA -0.163 56.136 56.048 0.419 0.000 1.460 62 H CB 0.242 30.232 29.762 0.380 0.000 1.524 62 H HN 0.130 nan 8.280 nan 0.000 0.532 63 V N 1.008 121.174 119.914 0.421 0.000 2.649 63 V HA 0.025 4.145 4.120 -0.001 0.000 0.248 63 V C 0.965 177.116 176.094 0.094 0.000 1.054 63 V CA 0.560 62.936 62.300 0.127 0.000 1.073 63 V CB -0.388 31.380 31.823 -0.091 0.000 0.699 63 V HN 0.533 nan 8.190 nan 0.000 0.463 64 M N 1.227 120.893 119.600 0.109 0.000 2.012 64 M HA 0.384 4.864 4.480 -0.001 0.000 0.248 64 M C -0.053 176.282 176.300 0.059 0.000 1.238 64 M CA -0.388 54.895 55.300 -0.028 0.000 0.980 64 M CB -0.084 32.353 32.600 -0.271 0.000 1.346 64 M HN 0.247 nan 8.290 nan 0.000 0.511 65 D N 0.541 120.958 120.400 0.028 0.000 2.400 65 D HA -0.048 4.592 4.640 -0.001 0.000 0.238 65 D C 0.681 176.959 176.300 -0.037 0.000 1.157 65 D CA 0.051 54.063 54.000 0.020 0.000 0.889 65 D CB 0.244 41.083 40.800 0.064 0.000 1.199 65 D HN 0.550 nan 8.370 nan 0.000 0.436 66 Q N 0.878 120.547 119.800 -0.217 0.000 2.045 66 Q HA -0.262 4.078 4.340 -0.001 0.000 0.206 66 Q C 0.728 176.655 176.000 -0.121 0.000 0.991 66 Q CA 2.192 57.761 55.803 -0.390 0.000 0.851 66 Q CB 0.008 28.445 28.738 -0.501 0.000 0.911 66 Q HN 0.617 nan 8.270 nan 0.000 0.418 67 D N -1.090 119.256 120.400 -0.090 0.000 2.378 67 D HA -0.154 4.485 4.640 -0.001 0.000 0.227 67 D C 1.386 177.683 176.300 -0.005 0.000 1.012 67 D CA 0.274 54.244 54.000 -0.050 0.000 0.905 67 D CB -0.448 40.308 40.800 -0.074 0.000 0.895 67 D HN 0.369 nan 8.370 nan 0.000 0.532 68 Y N 0.821 121.066 120.300 -0.091 0.000 2.030 68 Y HA -0.056 4.494 4.550 -0.001 0.000 0.274 68 Y C 0.171 175.943 175.900 -0.214 0.000 1.153 68 Y CA 1.180 59.159 58.100 -0.202 0.000 1.115 68 Y CB -0.203 38.065 38.460 -0.321 0.000 0.969 68 Y HN -0.107 nan 8.280 nan 0.000 0.488 69 F N 0.459 120.619 119.950 0.351 0.000 2.421 69 F HA 0.517 5.044 4.527 -0.001 0.000 0.337 69 F C -0.545 175.317 175.800 0.103 0.000 1.105 69 F CA -0.810 57.313 58.000 0.205 0.000 1.049 69 F CB 1.585 40.681 39.000 0.160 0.000 1.139 69 F HN -0.073 nan 8.300 nan 0.000 0.479 70 L N 2.131 123.488 121.223 0.222 0.000 2.731 70 L HA 0.697 5.037 4.340 -0.001 0.000 0.256 70 L C -0.853 176.090 176.870 0.121 0.000 0.947 70 L CA -0.649 54.286 54.840 0.158 0.000 0.914 70 L CB 0.991 43.118 42.059 0.113 0.000 1.470 70 L HN 0.717 nan 8.230 nan 0.000 0.421 71 A N 1.830 124.727 122.820 0.128 0.000 2.567 71 A HA 0.432 4.752 4.320 -0.001 0.000 0.236 71 A C 1.038 178.707 177.584 0.142 0.000 1.088 71 A CA 0.759 52.880 52.037 0.140 0.000 0.776 71 A CB -0.128 18.963 19.000 0.153 0.000 1.033 71 A HN 1.490 nan 8.150 nan 0.000 0.513 72 S N -0.181 115.634 115.700 0.191 0.000 2.641 72 S HA 0.592 5.062 4.470 -0.001 0.000 0.239 72 S C 0.504 175.261 174.600 0.261 0.000 1.081 72 S CA 0.724 59.051 58.200 0.211 0.000 0.904 72 S CB -0.066 63.372 63.200 0.397 0.000 0.803 72 S HN 2.300 nan 8.310 nan 0.000 0.510 73 A N 0.433 123.403 122.820 0.250 0.000 2.605 73 A HA 0.691 5.011 4.320 -0.001 0.000 0.294 73 A C -1.514 176.151 177.584 0.134 0.000 1.062 73 A CA -0.902 51.265 52.037 0.217 0.000 0.682 73 A CB 0.619 19.798 19.000 0.299 0.000 1.278 73 A HN 0.364 nan 8.150 nan 0.000 0.410 74 I N 1.087 121.726 120.570 0.115 0.000 2.353 74 I HA 0.550 4.719 4.170 -0.001 0.000 0.293 74 I C -0.711 175.421 176.117 0.025 0.000 0.992 74 I CA -0.860 60.483 61.300 0.071 0.000 1.268 74 I CB 1.598 39.642 38.000 0.073 0.000 1.387 74 I HN 0.282 nan 8.210 nan 0.000 0.478 75 V N 5.213 125.125 119.914 -0.003 0.000 2.577 75 V HA 0.517 4.636 4.120 -0.001 0.000 0.303 75 V C -0.000 176.062 176.094 -0.052 0.000 1.042 75 V CA -0.616 61.666 62.300 -0.030 0.000 0.872 75 V CB 1.863 33.661 31.823 -0.042 0.000 0.998 75 V HN 0.836 nan 8.190 nan 0.000 0.423 76 A N 7.296 130.082 122.820 -0.058 0.000 2.736 76 A HA 0.724 5.044 4.320 -0.001 0.000 0.335 76 A C -2.530 175.021 177.584 -0.055 0.000 1.446 76 A CA -1.546 50.451 52.037 -0.066 0.000 1.028 76 A CB 0.038 18.999 19.000 -0.065 0.000 1.154 76 A HN 0.539 nan 8.150 nan 0.000 0.507 77 P HA 0.094 nan 4.420 nan 0.000 0.265 77 P C 0.273 177.548 177.300 -0.041 0.000 1.193 77 P CA 0.164 63.234 63.100 -0.050 0.000 0.765 77 P CB 0.754 32.426 31.700 -0.047 0.000 0.823 78 R N 1.846 122.324 120.500 -0.037 0.000 2.210 78 R HA 0.111 4.451 4.340 -0.001 0.000 0.203 78 R C 1.076 177.363 176.300 -0.022 0.000 1.010 78 R CA 0.577 56.660 56.100 -0.028 0.000 1.008 78 R CB -0.300 29.985 30.300 -0.024 0.000 0.923 78 R HN 0.635 nan 8.270 nan 0.000 0.469 79 N N -2.556 116.129 118.700 -0.025 0.000 3.185 79 N HA 0.004 4.743 4.740 -0.001 0.000 0.238 79 N C 0.238 175.734 175.510 -0.024 0.000 1.451 79 N CA -0.493 52.545 53.050 -0.019 0.000 0.888 79 N CB 1.188 39.664 38.487 -0.017 0.000 1.413 79 N HN -0.270 nan 8.380 nan 0.000 0.511 80 V N 0.825 120.728 119.914 -0.020 0.000 2.277 80 V HA -0.328 3.791 4.120 -0.001 0.000 0.253 80 V C 2.740 178.816 176.094 -0.029 0.000 1.067 80 V CA 3.087 65.373 62.300 -0.024 0.000 1.047 80 V CB -1.243 30.565 31.823 -0.024 0.000 0.649 80 V HN 0.863 nan 8.190 nan 0.000 0.447 81 A N -0.540 122.262 122.820 -0.029 0.000 1.972 81 A HA -0.257 4.063 4.320 -0.001 0.000 0.219 81 A C 1.930 179.492 177.584 -0.036 0.000 1.169 81 A CA 2.008 54.026 52.037 -0.032 0.000 0.635 81 A CB -0.590 18.392 19.000 -0.030 0.000 0.810 81 A HN 0.581 nan 8.150 nan 0.000 0.446 82 D N -0.204 120.172 120.400 -0.039 0.000 2.097 82 D HA -0.113 4.526 4.640 -0.001 0.000 0.195 82 D C 2.061 178.329 176.300 -0.052 0.000 0.989 82 D CA 1.436 55.406 54.000 -0.049 0.000 0.827 82 D CB -0.569 40.202 40.800 -0.050 0.000 0.966 82 D HN 0.201 nan 8.370 nan 0.000 0.456 83 V N 0.993 120.881 119.914 -0.043 0.000 2.282 83 V HA -0.300 3.819 4.120 -0.001 0.000 0.249 83 V C 2.516 178.589 176.094 -0.034 0.000 1.057 83 V CA 1.765 64.041 62.300 -0.040 0.000 1.032 83 V CB -0.567 31.235 31.823 -0.033 0.000 0.645 83 V HN 0.253 nan 8.190 nan 0.000 0.447 84 Q N -0.322 119.459 119.800 -0.032 0.000 2.077 84 Q HA -0.216 4.123 4.340 -0.001 0.000 0.206 84 Q C 2.521 178.505 176.000 -0.027 0.000 0.989 84 Q CA 2.147 57.935 55.803 -0.026 0.000 0.853 84 Q CB -0.342 28.380 28.738 -0.026 0.000 0.907 84 Q HN 0.625 nan 8.270 nan 0.000 0.418 85 S N 0.851 116.528 115.700 -0.039 0.000 2.359 85 S HA -0.158 4.311 4.470 -0.001 0.000 0.224 85 S C 1.993 176.557 174.600 -0.060 0.000 1.035 85 S CA 1.156 59.327 58.200 -0.048 0.000 1.018 85 S CB -0.319 62.846 63.200 -0.060 0.000 0.876 85 S HN 0.291 nan 8.310 nan 0.000 0.448 86 I N 1.187 121.709 120.570 -0.080 0.000 2.163 86 I HA -0.173 3.997 4.170 -0.001 0.000 0.243 86 I C 2.213 178.313 176.117 -0.029 0.000 1.085 86 I CA 0.966 62.201 61.300 -0.109 0.000 1.347 86 I CB -0.634 37.304 38.000 -0.104 0.000 1.044 86 I HN 0.148 nan 8.210 nan 0.000 0.408 87 V N 1.257 121.170 119.914 -0.001 0.000 2.287 87 V HA -0.257 3.863 4.120 -0.001 0.000 0.248 87 V C 2.653 178.787 176.094 0.066 0.000 1.053 87 V CA 2.278 64.603 62.300 0.041 0.000 1.027 87 V CB -1.500 30.336 31.823 0.023 0.000 0.646 87 V HN 0.598 nan 8.190 nan 0.000 0.447 88 G N -0.106 108.715 108.800 0.035 0.000 2.469 88 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.219 88 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.219 88 G C 1.438 176.393 174.900 0.091 0.000 1.150 88 G CA 1.253 46.379 45.100 0.044 0.000 0.763 88 G HN 0.396 nan 8.290 nan 0.000 0.561 89 L N 1.370 122.643 121.223 0.083 0.000 2.023 89 L HA 0.180 4.519 4.340 -0.001 0.000 0.205 89 L C 3.313 180.433 176.870 0.417 0.000 1.073 89 L CA 1.608 56.562 54.840 0.190 0.000 0.745 89 L CB -1.296 40.712 42.059 -0.086 0.000 0.900 89 L HN 0.267 nan 8.230 nan 0.000 0.435 90 A N -0.588 122.458 122.820 0.376 0.000 2.042 90 A HA -0.301 4.019 4.320 -0.001 0.000 0.222 90 A C 2.201 180.024 177.584 0.398 0.000 1.167 90 A CA 2.397 54.765 52.037 0.551 0.000 0.649 90 A CB -1.013 18.189 19.000 0.336 0.000 0.809 90 A HN 0.616 nan 8.150 nan 0.000 0.457 91 N N -1.312 117.543 118.700 0.259 0.000 2.207 91 N HA -0.082 4.658 4.740 -0.001 0.000 0.182 91 N C 1.843 177.436 175.510 0.138 0.000 1.020 91 N CA 1.132 54.284 53.050 0.170 0.000 0.858 91 N CB -0.103 38.443 38.487 0.098 0.000 0.991 91 N HN 0.573 nan 8.380 nan 0.000 0.427 92 K N 0.413 120.896 120.400 0.139 0.000 1.991 92 K HA -0.115 4.205 4.320 -0.001 0.000 0.212 92 K C 0.787 177.301 176.600 -0.142 0.000 1.049 92 K CA 1.494 57.745 56.287 -0.060 0.000 0.932 92 K CB -0.101 32.321 32.500 -0.131 0.000 0.717 92 K HN 0.109 nan 8.250 nan 0.000 0.441 93 F N 1.032 121.094 119.950 0.187 0.000 2.811 93 F HA 0.154 4.680 4.527 -0.001 0.000 0.301 93 F C 0.629 176.501 175.800 0.121 0.000 1.151 93 F CA 0.228 58.330 58.000 0.171 0.000 1.412 93 F CB 0.218 39.386 39.000 0.281 0.000 1.113 93 F HN -0.060 nan 8.300 nan 0.000 0.579 94 S N 0.057 115.931 115.700 0.290 0.000 3.641 94 S HA -0.248 4.222 4.470 -0.001 0.000 0.346 94 S C -0.009 174.730 174.600 0.232 0.000 1.074 94 S CA -0.017 58.309 58.200 0.210 0.000 1.026 94 S CB -2.188 61.078 63.200 0.110 0.000 0.908 94 S HN 0.295 nan 8.310 nan 0.000 0.479 95 F N 2.837 122.892 119.950 0.175 0.000 2.384 95 F HA 0.625 5.152 4.527 -0.001 0.000 0.338 95 F C -2.355 173.498 175.800 0.088 0.000 1.103 95 F CA -2.054 55.954 58.000 0.014 0.000 1.157 95 F CB 0.954 39.795 39.000 -0.265 0.000 1.167 95 F HN -0.065 nan 8.300 nan 0.000 0.529 96 P HA 0.438 nan 4.420 nan 0.000 0.295 96 P C -1.130 176.318 177.300 0.247 0.000 1.319 96 P CA -0.598 62.722 63.100 0.365 0.000 0.940 96 P CB 1.735 33.615 31.700 0.300 0.000 1.192 97 L N 0.975 122.296 121.223 0.163 0.000 2.399 97 L HA 0.540 4.880 4.340 -0.001 0.000 0.265 97 L C -0.100 176.878 176.870 0.179 0.000 1.089 97 L CA -0.305 54.602 54.840 0.113 0.000 0.802 97 L CB 1.104 43.191 42.059 0.046 0.000 1.180 97 L HN 0.455 nan 8.230 nan 0.000 0.454 98 W N 4.143 125.428 121.300 -0.026 0.000 2.288 98 W HA 0.252 4.912 4.660 -0.001 0.000 0.287 98 W C -2.968 173.532 176.519 -0.030 0.000 1.046 98 W CA -1.223 56.100 57.345 -0.036 0.000 1.074 98 W CB 1.478 30.927 29.460 -0.018 0.000 0.955 98 W HN 0.190 nan 8.180 nan 0.000 0.277 99 P HA 0.511 nan 4.420 nan 0.000 0.282 99 P C -0.384 176.768 177.300 -0.247 0.000 1.249 99 P CA 0.138 63.100 63.100 -0.229 0.000 0.806 99 P CB 2.097 33.651 31.700 -0.242 0.000 0.984 100 I N -2.550 117.977 120.570 -0.073 0.000 2.984 100 I HA 0.431 4.601 4.170 -0.001 0.000 0.303 100 I C -0.049 176.062 176.117 -0.009 0.000 1.381 100 I CA -0.795 60.499 61.300 -0.010 0.000 0.988 100 I CB 1.695 39.780 38.000 0.141 0.000 1.307 100 I HN -0.011 nan 8.210 nan 0.000 0.460 101 S N 2.169 117.869 115.700 0.001 0.000 2.398 101 S HA 0.356 4.825 4.470 -0.001 0.000 0.220 101 S C 1.133 175.741 174.600 0.013 0.000 1.046 101 S CA 0.714 58.910 58.200 -0.007 0.000 0.953 101 S CB 0.243 63.431 63.200 -0.021 0.000 0.856 101 S HN 0.677 nan 8.310 nan 0.000 0.506 102 I N -1.321 119.275 120.570 0.043 0.000 4.866 102 I HA 0.258 4.427 4.170 -0.001 0.000 0.325 102 I C 1.630 177.807 176.117 0.100 0.000 1.240 102 I CA 1.069 62.404 61.300 0.057 0.000 1.355 102 I CB -0.246 37.765 38.000 0.017 0.000 1.395 102 I HN 0.451 nan 8.210 nan 0.000 0.479 103 G N 1.989 110.848 108.800 0.099 0.000 2.195 103 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.246 103 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.246 103 G C 0.929 175.854 174.900 0.041 0.000 0.984 103 G CA 0.176 45.334 45.100 0.096 0.000 0.633 103 G HN 0.335 nan 8.290 nan 0.000 0.525 104 R N 0.428 120.947 120.500 0.033 0.000 2.526 104 R HA 0.118 4.458 4.340 -0.001 0.000 0.223 104 R C 1.238 177.633 176.300 0.158 0.000 1.250 104 R CA 0.280 56.431 56.100 0.086 0.000 1.227 104 R CB -0.311 30.044 30.300 0.092 0.000 1.109 104 R HN 0.220 nan 8.270 nan 0.000 0.499 105 N N 0.706 119.479 118.700 0.121 0.000 2.482 105 N HA -0.019 4.721 4.740 -0.001 0.000 0.220 105 N C -0.718 174.884 175.510 0.153 0.000 1.255 105 N CA 0.078 53.224 53.050 0.160 0.000 0.850 105 N CB 0.061 38.627 38.487 0.131 0.000 1.127 105 N HN 0.045 nan 8.380 nan 0.000 0.475 106 S N -0.909 114.829 115.700 0.065 0.000 2.559 106 S HA 0.286 4.756 4.470 -0.001 0.000 0.282 106 S C 1.444 175.913 174.600 -0.217 0.000 1.336 106 S CA 0.451 58.549 58.200 -0.170 0.000 1.037 106 S CB 0.422 63.394 63.200 -0.381 0.000 0.853 106 S HN 0.567 nan 8.310 nan 0.000 0.523 107 G N 0.497 109.084 108.800 -0.355 0.000 2.162 107 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.260 107 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.260 107 G C 0.138 174.985 174.900 -0.087 0.000 0.976 107 G CA 0.675 45.534 45.100 -0.401 0.000 0.655 107 G HN 0.732 nan 8.290 nan 0.000 0.533 108 Y N -2.000 118.440 120.300 0.233 0.000 2.532 108 Y HA 0.430 4.980 4.550 -0.001 0.000 0.282 108 Y C 1.977 177.693 175.900 -0.307 0.000 1.013 108 Y CA 0.550 58.733 58.100 0.139 0.000 1.159 108 Y CB 0.807 39.302 38.460 0.058 0.000 1.393 108 Y HN 0.850 nan 8.280 nan 0.000 0.580 109 G N -1.105 107.672 108.800 -0.039 0.000 3.382 109 G HA2 0.284 4.244 3.960 -0.001 0.000 0.214 109 G HA3 0.284 4.244 3.960 -0.001 0.000 0.214 109 G C 0.895 175.782 174.900 -0.021 0.000 1.025 109 G CA 0.281 45.264 45.100 -0.196 0.000 0.869 109 G HN 0.912 nan 8.290 nan 0.000 0.458 110 G N 0.470 109.281 108.800 0.019 0.000 2.527 110 G HA2 0.163 4.123 3.960 -0.001 0.000 0.268 110 G HA3 0.163 4.123 3.960 -0.001 0.000 0.268 110 G C 1.450 176.380 174.900 0.050 0.000 1.175 110 G CA 2.210 47.322 45.100 0.020 0.000 0.962 110 G HN 1.821 nan 8.290 nan 0.000 0.560 111 A N 0.371 123.208 122.820 0.028 0.000 1.933 111 A HA 0.503 4.822 4.320 -0.001 0.000 0.218 111 A C 2.244 179.843 177.584 0.026 0.000 1.175 111 A CA 2.264 54.363 52.037 0.104 0.000 0.628 111 A CB -1.111 17.944 19.000 0.092 0.000 0.814 111 A HN 2.646 nan 8.150 nan 0.000 0.444 112 A N 1.360 124.140 122.820 -0.067 0.000 2.592 112 A HA 0.339 4.659 4.320 -0.001 0.000 0.250 112 A C -2.155 175.012 177.584 -0.696 0.000 1.017 112 A CA -0.244 51.683 52.037 -0.183 0.000 0.794 112 A CB -0.532 18.464 19.000 -0.006 0.000 0.917 112 A HN 0.377 nan 8.150 nan 0.000 0.515 113 P HA 0.152 nan 4.420 nan 0.000 0.280 113 P C 0.773 177.491 177.300 -0.969 0.000 1.244 113 P CA -0.568 61.561 63.100 -1.618 0.000 0.784 113 P CB 1.007 32.336 31.700 -0.618 0.000 0.913 114 R N 2.303 122.090 120.500 -1.188 0.000 2.083 114 R HA -0.031 4.309 4.340 -0.001 0.000 0.237 114 R C 0.106 176.512 176.300 0.178 0.000 1.137 114 R CA 1.254 57.087 56.100 -0.444 0.000 0.951 114 R CB -0.566 29.579 30.300 -0.257 0.000 0.851 114 R HN 0.338 nan 8.270 nan 0.000 0.434 115 V N 2.228 122.186 119.914 0.074 0.000 2.385 115 V HA 0.091 4.211 4.120 -0.001 0.000 0.269 115 V C 0.086 176.300 176.094 0.200 0.000 1.043 115 V CA -0.229 62.179 62.300 0.180 0.000 0.906 115 V CB 1.471 33.267 31.823 -0.045 0.000 0.995 115 V HN 0.225 nan 8.190 nan 0.000 0.467 116 S N 3.521 119.394 115.700 0.289 0.000 2.579 116 S HA 0.474 4.943 4.470 -0.001 0.000 0.275 116 S C 1.345 176.059 174.600 0.190 0.000 1.345 116 S CA 0.356 58.673 58.200 0.196 0.000 1.031 116 S CB 1.043 64.320 63.200 0.129 0.000 0.892 116 S HN 1.521 nan 8.310 nan 0.000 0.529 117 G N 1.200 110.098 108.800 0.163 0.000 2.176 117 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.253 117 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.253 117 G C 0.222 175.324 174.900 0.338 0.000 0.979 117 G CA 0.187 45.399 45.100 0.186 0.000 0.641 117 G HN 0.699 nan 8.290 nan 0.000 0.530 118 S N -0.735 115.140 115.700 0.291 0.000 2.614 118 S HA 0.595 5.064 4.470 -0.001 0.000 0.265 118 S C 0.678 175.406 174.600 0.214 0.000 1.303 118 S CA -0.196 58.201 58.200 0.328 0.000 1.000 118 S CB 2.002 65.353 63.200 0.253 0.000 0.935 118 S HN 0.683 nan 8.310 nan 0.000 0.551 119 V N 1.958 121.899 119.914 0.045 0.000 2.567 119 V HA 0.315 4.435 4.120 -0.001 0.000 0.289 119 V C -0.093 176.054 176.094 0.088 0.000 1.049 119 V CA -0.640 61.622 62.300 -0.063 0.000 0.969 119 V CB 1.510 33.151 31.823 -0.304 0.000 0.995 119 V HN 0.608 nan 8.190 nan 0.000 0.471 120 V N 5.384 125.357 119.914 0.099 0.000 2.364 120 V HA 0.273 4.393 4.120 -0.001 0.000 0.272 120 V C -0.133 176.002 176.094 0.068 0.000 1.036 120 V CA -0.403 61.985 62.300 0.146 0.000 0.880 120 V CB 1.336 33.272 31.823 0.188 0.000 0.991 120 V HN 0.591 nan 8.190 nan 0.000 0.460 121 L N 5.279 126.545 121.223 0.071 0.000 2.328 121 L HA 0.380 4.720 4.340 -0.001 0.000 0.280 121 L C 0.324 177.181 176.870 -0.022 0.000 1.111 121 L CA 0.089 54.929 54.840 0.001 0.000 0.909 121 L CB 0.555 42.603 42.059 -0.019 0.000 1.277 121 L HN 0.617 nan 8.230 nan 0.000 0.433 122 D N 4.598 124.960 120.400 -0.064 0.000 2.416 122 D HA 0.012 4.652 4.640 -0.001 0.000 0.240 122 D C 1.082 177.328 176.300 -0.090 0.000 1.250 122 D CA -0.165 53.759 54.000 -0.127 0.000 0.967 122 D CB 0.652 41.294 40.800 -0.263 0.000 1.059 122 D HN 0.364 nan 8.370 nan 0.000 0.512 123 M N 2.616 122.178 119.600 -0.063 0.000 2.101 123 M HA -0.006 4.473 4.480 -0.001 0.000 0.259 123 M C 2.306 178.578 176.300 -0.047 0.000 1.083 123 M CA 1.377 56.647 55.300 -0.051 0.000 1.114 123 M CB -1.720 30.854 32.600 -0.044 0.000 1.281 123 M HN 0.473 nan 8.290 nan 0.000 0.422 124 G N 0.626 109.402 108.800 -0.040 0.000 2.562 124 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.223 124 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.223 124 G C 1.701 176.584 174.900 -0.028 0.000 1.102 124 G CA 1.706 46.788 45.100 -0.030 0.000 0.742 124 G HN 0.574 nan 8.290 nan 0.000 0.587 125 K N 0.272 120.644 120.400 -0.047 0.000 2.001 125 K HA -0.194 4.125 4.320 -0.001 0.000 0.214 125 K C 2.265 178.851 176.600 -0.024 0.000 1.050 125 K CA 1.750 58.014 56.287 -0.039 0.000 0.934 125 K CB -0.200 32.261 32.500 -0.064 0.000 0.718 125 K HN 0.284 nan 8.250 nan 0.000 0.443 126 N N 0.386 119.069 118.700 -0.028 0.000 2.220 126 N HA -0.026 4.714 4.740 -0.001 0.000 0.182 126 N C 1.033 176.537 175.510 -0.011 0.000 1.023 126 N CA 0.960 53.999 53.050 -0.017 0.000 0.856 126 N CB -0.068 38.406 38.487 -0.021 0.000 0.997 126 N HN 0.258 nan 8.380 nan 0.000 0.429 127 M N 1.642 121.233 119.600 -0.015 0.000 3.543 127 M HA 0.027 4.506 4.480 -0.001 0.000 0.181 127 M C 0.396 176.689 176.300 -0.011 0.000 1.448 127 M CA 0.256 55.549 55.300 -0.012 0.000 1.587 127 M CB -1.070 31.520 32.600 -0.017 0.000 1.380 127 M HN 0.102 nan 8.290 nan 0.000 0.447 128 N N 0.576 119.273 118.700 -0.004 0.000 2.494 128 N HA -0.012 4.727 4.740 -0.001 0.000 0.182 128 N C 0.002 175.514 175.510 0.002 0.000 1.076 128 N CA 0.085 53.136 53.050 0.001 0.000 0.908 128 N CB 0.375 38.870 38.487 0.013 0.000 0.967 128 N HN 0.456 nan 8.380 nan 0.000 0.449 129 R N 0.748 121.249 120.500 0.001 0.000 2.543 129 R HA 0.167 4.506 4.340 -0.001 0.000 0.277 129 R C -0.508 175.767 176.300 -0.040 0.000 1.074 129 R CA -0.165 55.934 56.100 -0.002 0.000 1.076 129 R CB 1.059 31.366 30.300 0.012 0.000 0.993 129 R HN -0.118 nan 8.270 nan 0.000 0.459 130 V N 5.141 125.018 119.914 -0.061 0.000 2.385 130 V HA 0.058 4.177 4.120 -0.001 0.000 0.269 130 V C 1.333 177.356 176.094 -0.119 0.000 1.043 130 V CA -0.071 62.116 62.300 -0.189 0.000 0.906 130 V CB 1.121 32.669 31.823 -0.458 0.000 0.995 130 V HN 0.710 nan 8.190 nan 0.000 0.467 131 L N 3.253 124.415 121.223 -0.101 0.000 2.162 131 L HA 0.332 4.672 4.340 -0.001 0.000 0.205 131 L C 0.977 177.826 176.870 -0.035 0.000 1.086 131 L CA 0.904 55.729 54.840 -0.024 0.000 0.778 131 L CB 0.152 42.223 42.059 0.020 0.000 0.928 131 L HN 0.699 nan 8.230 nan 0.000 0.446 132 E N -0.739 119.392 120.200 -0.115 0.000 2.409 132 E HA 0.427 4.776 4.350 -0.001 0.000 0.280 132 E C -1.903 174.594 176.600 -0.171 0.000 1.079 132 E CA -0.519 55.830 56.400 -0.085 0.000 0.840 132 E CB 2.572 32.272 29.700 0.001 0.000 1.309 132 E HN -0.235 nan 8.360 nan 0.000 0.447 133 V N 2.877 122.700 119.914 -0.153 0.000 2.532 133 V HA 0.377 4.496 4.120 -0.001 0.000 0.294 133 V C -0.592 175.354 176.094 -0.246 0.000 1.036 133 V CA -1.064 61.118 62.300 -0.197 0.000 0.876 133 V CB 1.448 33.201 31.823 -0.117 0.000 1.012 133 V HN 0.600 nan 8.190 nan 0.000 0.432 134 N N 3.880 122.254 118.700 -0.543 0.000 2.437 134 N HA 0.330 5.069 4.740 -0.001 0.000 0.259 134 N C 0.588 175.829 175.510 -0.448 0.000 0.983 134 N CA -0.249 52.436 53.050 -0.609 0.000 0.937 134 N CB 2.253 40.169 38.487 -0.951 0.000 1.122 134 N HN 0.328 nan 8.380 nan 0.000 0.499 135 V N 4.139 123.911 119.914 -0.237 0.000 2.283 135 V HA -0.175 3.944 4.120 -0.001 0.000 0.243 135 V C 1.732 177.736 176.094 -0.151 0.000 1.039 135 V CA 1.562 63.766 62.300 -0.161 0.000 1.016 135 V CB -0.644 31.123 31.823 -0.094 0.000 0.650 135 V HN 0.610 nan 8.190 nan 0.000 0.449 136 E N 1.510 121.634 120.200 -0.127 0.000 2.114 136 E HA -0.189 4.160 4.350 -0.001 0.000 0.199 136 E C 2.182 178.733 176.600 -0.081 0.000 1.008 136 E CA 1.731 58.079 56.400 -0.086 0.000 0.810 136 E CB -0.913 28.753 29.700 -0.055 0.000 0.739 136 E HN 0.593 nan 8.360 nan 0.000 0.456 137 G N -0.576 108.160 108.800 -0.107 0.000 2.683 137 G HA2 0.209 4.168 3.960 -0.001 0.000 0.213 137 G HA3 0.209 4.168 3.960 -0.001 0.000 0.213 137 G C 0.425 175.324 174.900 -0.002 0.000 1.142 137 G CA 0.149 45.263 45.100 0.022 0.000 0.793 137 G HN 0.497 nan 8.290 nan 0.000 0.534 138 A N -1.422 121.299 122.820 -0.165 0.000 2.546 138 A HA 0.081 4.401 4.320 -0.001 0.000 0.295 138 A C 0.034 177.653 177.584 0.059 0.000 1.455 138 A CA 1.152 53.136 52.037 -0.089 0.000 0.730 138 A CB -2.571 16.399 19.000 -0.051 0.000 1.111 138 A HN 1.957 nan 8.150 nan 0.000 0.411 139 Y N -3.201 117.119 120.300 0.033 0.000 2.713 139 Y HA 0.713 5.263 4.550 -0.001 0.000 0.335 139 Y C -0.055 175.821 175.900 -0.041 0.000 1.222 139 Y CA -1.578 56.575 58.100 0.089 0.000 1.061 139 Y CB -0.085 38.526 38.460 0.251 0.000 1.314 139 Y HN 1.310 nan 8.280 nan 0.000 0.453 140 C N -0.053 119.378 119.300 0.219 0.000 3.044 140 C HA 0.989 5.449 4.460 -0.001 0.000 0.315 140 C C -1.096 173.842 174.990 -0.087 0.000 1.320 140 C CA -1.184 57.834 59.018 -0.001 0.000 1.582 140 C CB 1.357 29.034 27.740 -0.105 0.000 2.039 140 C HN 0.862 nan 8.230 nan 0.000 0.466 141 V N 1.656 121.450 119.914 -0.200 0.000 2.623 141 V HA 0.813 4.933 4.120 -0.001 0.000 0.304 141 V C -0.103 175.866 176.094 -0.209 0.000 1.054 141 V CA -0.096 62.009 62.300 -0.325 0.000 0.882 141 V CB 1.341 32.876 31.823 -0.479 0.000 1.002 141 V HN 1.312 nan 8.190 nan 0.000 0.424 142 V N 1.305 121.110 119.914 -0.181 0.000 3.181 142 V HA 0.728 4.847 4.120 -0.001 0.000 0.308 142 V C -0.656 175.392 176.094 -0.077 0.000 1.214 142 V CA -0.863 61.361 62.300 -0.127 0.000 1.053 142 V CB 2.236 33.972 31.823 -0.146 0.000 1.069 142 V HN 0.769 nan 8.190 nan 0.000 0.441 143 E N 1.267 121.431 120.200 -0.060 0.000 2.254 143 E HA 0.404 4.754 4.350 -0.001 0.000 0.261 143 E C -2.084 174.484 176.600 -0.053 0.000 1.051 143 E CA -1.804 54.574 56.400 -0.036 0.000 0.902 143 E CB 1.719 31.408 29.700 -0.019 0.000 1.168 143 E HN 0.535 nan 8.360 nan 0.000 0.423 144 P HA -0.123 nan 4.420 nan 0.000 0.216 144 P C 1.096 178.368 177.300 -0.047 0.000 1.150 144 P CA 1.253 64.327 63.100 -0.045 0.000 0.837 144 P CB 0.069 31.748 31.700 -0.036 0.000 0.786 145 G N -0.785 107.993 108.800 -0.036 0.000 2.679 145 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.212 145 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.212 145 G C 0.295 175.177 174.900 -0.030 0.000 1.137 145 G CA 0.018 45.102 45.100 -0.026 0.000 0.787 145 G HN 0.172 nan 8.290 nan 0.000 0.534 146 V N 2.740 122.621 119.914 -0.056 0.000 2.381 146 V HA 0.240 4.359 4.120 -0.001 0.000 0.257 146 V C 1.098 177.135 176.094 -0.094 0.000 1.057 146 V CA -0.229 62.035 62.300 -0.061 0.000 1.013 146 V CB -0.325 31.444 31.823 -0.091 0.000 1.069 146 V HN 0.357 nan 8.190 nan 0.000 0.484 147 T N 1.814 116.355 114.554 -0.022 0.000 2.788 147 T HA 0.224 4.573 4.350 -0.001 0.000 0.287 147 T C 0.974 175.694 174.700 0.033 0.000 1.007 147 T CA 0.006 62.110 62.100 0.007 0.000 1.005 147 T CB 0.620 69.567 68.868 0.131 0.000 1.012 147 T HN 0.374 nan 8.240 nan 0.000 0.530 148 Y N 0.021 120.405 120.300 0.140 0.000 2.097 148 Y HA -0.137 4.412 4.550 -0.001 0.000 0.282 148 Y C 2.947 178.952 175.900 0.175 0.000 1.152 148 Y CA 2.255 60.432 58.100 0.129 0.000 1.136 148 Y CB -0.864 37.669 38.460 0.123 0.000 0.975 148 Y HN 0.891 nan 8.280 nan 0.000 0.498 149 H N 0.461 119.725 119.070 0.324 0.000 2.289 149 H HA -0.213 4.343 4.556 -0.001 0.000 0.294 149 H C 1.487 176.972 175.328 0.261 0.000 1.095 149 H CA 2.186 58.400 56.048 0.276 0.000 1.256 149 H CB -0.236 29.720 29.762 0.322 0.000 1.359 149 H HN 0.309 nan 8.280 nan 0.000 0.487 150 D N 0.711 121.293 120.400 0.303 0.000 2.126 150 D HA -0.170 4.469 4.640 -0.001 0.000 0.190 150 D C 2.451 178.829 176.300 0.129 0.000 1.001 150 D CA 1.120 55.230 54.000 0.183 0.000 0.841 150 D CB -0.619 40.262 40.800 0.135 0.000 0.949 150 D HN 0.306 nan 8.370 nan 0.000 0.446 151 L N 0.462 121.755 121.223 0.118 0.000 2.042 151 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 151 L C 2.151 179.099 176.870 0.130 0.000 1.076 151 L CA 1.889 56.775 54.840 0.078 0.000 0.749 151 L CB -0.868 41.215 42.059 0.040 0.000 0.893 151 L HN 0.249 nan 8.230 nan 0.000 0.432 152 H N -0.186 118.901 119.070 0.029 0.000 2.270 152 H HA -0.158 4.398 4.556 -0.001 0.000 0.299 152 H C 1.835 177.130 175.328 -0.055 0.000 1.077 152 H CA 1.971 58.000 56.048 -0.033 0.000 1.294 152 H CB 0.030 29.733 29.762 -0.099 0.000 1.371 152 H HN 0.472 nan 8.280 nan 0.000 0.491 153 N N 0.198 118.800 118.700 -0.164 0.000 2.192 153 N HA -0.210 4.530 4.740 -0.001 0.000 0.188 153 N C 1.959 177.397 175.510 -0.120 0.000 1.013 153 N CA 1.296 54.222 53.050 -0.207 0.000 0.863 153 N CB -0.603 37.804 38.487 -0.134 0.000 0.990 153 N HN 0.456 nan 8.380 nan 0.000 0.430 154 Y N 2.374 122.597 120.300 -0.127 0.000 2.049 154 Y HA -0.151 4.398 4.550 -0.001 0.000 0.277 154 Y C 2.402 178.231 175.900 -0.118 0.000 1.143 154 Y CA 1.454 59.501 58.100 -0.090 0.000 1.115 154 Y CB -0.656 37.770 38.460 -0.056 0.000 0.975 154 Y HN -0.078 nan 8.280 nan 0.000 0.487 155 L N 0.302 121.644 121.223 0.197 0.000 2.129 155 L HA -0.254 4.086 4.340 -0.001 0.000 0.212 155 L C 2.513 179.302 176.870 -0.135 0.000 1.087 155 L CA 1.895 56.767 54.840 0.053 0.000 0.757 155 L CB -0.791 41.265 42.059 -0.006 0.000 0.896 155 L HN 0.429 nan 8.230 nan 0.000 0.434 156 E N 0.949 121.002 120.200 -0.244 0.000 1.998 156 E HA -0.219 4.130 4.350 -0.001 0.000 0.196 156 E C 2.010 178.494 176.600 -0.194 0.000 1.003 156 E CA 1.155 57.394 56.400 -0.268 0.000 0.829 156 E CB -0.119 29.338 29.700 -0.403 0.000 0.777 156 E HN 0.395 nan 8.360 nan 0.000 0.460 157 A N 0.132 122.830 122.820 -0.205 0.000 2.292 157 A HA -0.112 4.207 4.320 -0.001 0.000 0.205 157 A C 0.726 178.171 177.584 -0.231 0.000 1.243 157 A CA 1.149 53.072 52.037 -0.190 0.000 0.783 157 A CB -0.573 18.323 19.000 -0.172 0.000 0.760 157 A HN 0.350 nan 8.150 nan 0.000 0.498 158 N N 0.133 118.687 118.700 -0.244 0.000 2.232 158 N HA 0.025 4.765 4.740 -0.001 0.000 0.240 158 N C 0.028 175.462 175.510 -0.127 0.000 1.307 158 N CA 0.337 53.252 53.050 -0.226 0.000 0.859 158 N CB 0.314 38.591 38.487 -0.350 0.000 1.260 158 N HN 0.445 nan 8.380 nan 0.000 0.501 159 N N 0.121 118.754 118.700 -0.110 0.000 2.650 159 N HA -0.258 4.482 4.740 -0.001 0.000 0.249 159 N C 0.424 175.911 175.510 -0.038 0.000 1.155 159 N CA 0.756 53.766 53.050 -0.068 0.000 0.747 159 N CB -1.610 36.846 38.487 -0.051 0.000 1.132 159 N HN 0.405 nan 8.380 nan 0.000 0.564 160 L N 0.078 121.279 121.223 -0.036 0.000 2.201 160 L HA -0.051 4.289 4.340 -0.001 0.000 0.212 160 L C 2.509 179.412 176.870 0.055 0.000 1.105 160 L CA 1.328 56.174 54.840 0.009 0.000 0.775 160 L CB -0.279 41.800 42.059 0.034 0.000 0.913 160 L HN 0.303 nan 8.230 nan 0.000 0.440 161 R N -0.013 120.509 120.500 0.036 0.000 2.211 161 R HA -0.171 4.168 4.340 -0.001 0.000 0.240 161 R C 1.148 177.596 176.300 0.247 0.000 1.144 161 R CA 1.324 57.484 56.100 0.099 0.000 0.992 161 R CB -0.574 29.717 30.300 -0.016 0.000 0.869 161 R HN 0.443 nan 8.270 nan 0.000 0.462 162 D N 0.622 121.102 120.400 0.134 0.000 2.323 162 D HA -0.030 4.609 4.640 -0.001 0.000 0.209 162 D C 1.354 177.707 176.300 0.090 0.000 0.973 162 D CA 0.906 54.986 54.000 0.133 0.000 0.874 162 D CB 0.194 41.037 40.800 0.072 0.000 0.930 162 D HN 0.335 nan 8.370 nan 0.000 0.521 163 K N -0.428 120.016 120.400 0.075 0.000 2.313 163 K HA 0.258 4.577 4.320 -0.001 0.000 0.197 163 K C 0.663 177.266 176.600 0.006 0.000 1.061 163 K CA 0.308 56.602 56.287 0.012 0.000 0.980 163 K CB 1.521 34.019 32.500 -0.004 0.000 0.888 163 K HN -0.010 nan 8.250 nan 0.000 0.502 164 L N 0.065 121.368 121.223 0.133 0.000 2.434 164 L HA 0.423 4.762 4.340 -0.001 0.000 0.260 164 L C -1.817 175.350 176.870 0.496 0.000 0.983 164 L CA -1.003 53.948 54.840 0.185 0.000 0.820 164 L CB 2.018 44.117 42.059 0.066 0.000 1.361 164 L HN -0.044 nan 8.230 nan 0.000 0.410 165 W N 2.037 123.265 121.300 -0.121 0.000 2.998 165 W HA 0.582 5.241 4.660 -0.001 0.000 0.335 165 W C -0.250 176.191 176.519 -0.130 0.000 1.110 165 W CA -0.820 56.458 57.345 -0.111 0.000 1.230 165 W CB 1.138 30.516 29.460 -0.137 0.000 1.405 165 W HN 0.213 nan 8.180 nan 0.000 0.493 166 L N 2.132 123.426 121.223 0.118 0.000 2.367 166 L HA 0.183 4.523 4.340 -0.001 0.000 0.215 166 L C 0.387 177.297 176.870 0.067 0.000 1.197 166 L CA 0.613 55.498 54.840 0.074 0.000 0.836 166 L CB 0.291 42.394 42.059 0.072 0.000 1.242 166 L HN 0.344 nan 8.230 nan 0.000 0.553 167 D N 0.002 120.434 120.400 0.054 0.000 2.312 167 D HA 0.279 4.918 4.640 -0.001 0.000 0.229 167 D C -1.059 175.236 176.300 -0.009 0.000 1.337 167 D CA -0.217 53.831 54.000 0.080 0.000 0.964 167 D CB 1.242 42.150 40.800 0.181 0.000 1.456 167 D HN 0.236 nan 8.370 nan 0.000 0.547 168 V N 1.423 121.261 119.914 -0.126 0.000 3.109 168 V HA 0.849 4.968 4.120 -0.001 0.000 0.317 168 V C -2.681 173.262 176.094 -0.252 0.000 1.074 168 V CA -1.662 60.402 62.300 -0.394 0.000 1.033 168 V CB 1.363 32.933 31.823 -0.422 0.000 1.111 168 V HN 0.295 nan 8.190 nan 0.000 0.458 169 P HA 0.476 nan 4.420 nan 0.000 0.288 169 P C -0.218 177.100 177.300 0.030 0.000 1.297 169 P CA -0.510 62.498 63.100 -0.154 0.000 0.864 169 P CB 0.846 32.502 31.700 -0.074 0.000 1.237 170 D N -0.862 119.667 120.400 0.215 0.000 2.280 170 D HA -0.088 4.551 4.640 -0.001 0.000 0.206 170 D C 0.533 176.827 176.300 -0.011 0.000 0.988 170 D CA 1.554 55.638 54.000 0.140 0.000 0.886 170 D CB -0.103 40.802 40.800 0.174 0.000 0.914 170 D HN 0.244 nan 8.370 nan 0.000 0.473 171 L N -1.544 119.677 121.223 -0.004 0.000 2.341 171 L HA 0.468 4.807 4.340 -0.001 0.000 0.267 171 L C 1.653 178.537 176.870 0.023 0.000 1.009 171 L CA -0.732 54.084 54.840 -0.040 0.000 0.819 171 L CB 2.182 44.242 42.059 0.001 0.000 1.323 171 L HN -0.228 nan 8.230 nan 0.000 0.425 172 G N 0.281 109.060 108.800 -0.035 0.000 2.453 172 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.215 172 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.215 172 G C 1.220 176.484 174.900 0.608 0.000 1.147 172 G CA 0.724 45.884 45.100 0.100 0.000 0.802 172 G HN 0.832 nan 8.290 nan 0.000 0.535 173 G N 0.581 109.905 108.800 0.874 0.000 2.744 173 G HA2 0.343 4.302 3.960 -0.001 0.000 0.211 173 G HA3 0.343 4.302 3.960 -0.001 0.000 0.211 173 G C 0.949 176.028 174.900 0.298 0.000 1.143 173 G CA 0.493 45.874 45.100 0.467 0.000 0.788 173 G HN 0.607 nan 8.290 nan 0.000 0.534 174 G N -0.009 109.072 108.800 0.468 0.000 2.636 174 G HA2 0.334 4.294 3.960 -0.001 0.000 0.246 174 G HA3 0.334 4.294 3.960 -0.001 0.000 0.246 174 G C 0.280 175.263 174.900 0.139 0.000 1.216 174 G CA 0.230 45.523 45.100 0.322 0.000 0.854 174 G HN 0.262 nan 8.290 nan 0.000 0.572 175 S N -0.465 115.243 115.700 0.013 0.000 2.510 175 S HA 0.078 4.547 4.470 -0.001 0.000 0.279 175 S C 1.577 175.991 174.600 -0.310 0.000 1.284 175 S CA -0.656 57.470 58.200 -0.123 0.000 1.059 175 S CB 0.922 64.090 63.200 -0.054 0.000 0.901 175 S HN 0.413 nan 8.310 nan 0.000 0.491 176 V N 6.127 125.704 119.914 -0.561 0.000 2.407 176 V HA -0.139 3.981 4.120 -0.001 0.000 0.248 176 V C 2.213 178.145 176.094 -0.270 0.000 1.055 176 V CA 1.879 63.741 62.300 -0.730 0.000 1.049 176 V CB -0.947 30.517 31.823 -0.597 0.000 0.662 176 V HN 0.877 nan 8.190 nan 0.000 0.455 177 L N 1.632 122.747 121.223 -0.179 0.000 2.068 177 L HA 0.186 4.525 4.340 -0.001 0.000 0.204 177 L C 2.317 179.173 176.870 -0.023 0.000 1.076 177 L CA 2.475 57.267 54.840 -0.079 0.000 0.753 177 L CB -1.660 40.352 42.059 -0.078 0.000 0.910 177 L HN 0.186 nan 8.230 nan 0.000 0.439 178 G N 0.031 108.814 108.800 -0.029 0.000 2.421 178 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.216 178 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.216 178 G C 1.588 176.511 174.900 0.038 0.000 1.171 178 G CA 0.759 45.856 45.100 -0.004 0.000 0.775 178 G HN 0.535 nan 8.290 nan 0.000 0.543 179 N N 1.471 120.221 118.700 0.084 0.000 2.069 179 N HA -0.144 4.596 4.740 -0.001 0.000 0.191 179 N C 2.508 178.147 175.510 0.215 0.000 1.031 179 N CA 1.603 54.767 53.050 0.190 0.000 0.852 179 N CB -0.316 38.394 38.487 0.372 0.000 1.018 179 N HN 0.242 nan 8.380 nan 0.000 0.423 180 A N 0.800 123.739 122.820 0.198 0.000 1.972 180 A HA -0.099 4.221 4.320 -0.001 0.000 0.219 180 A C 2.459 180.226 177.584 0.305 0.000 1.169 180 A CA 1.903 54.101 52.037 0.269 0.000 0.635 180 A CB -0.779 18.326 19.000 0.174 0.000 0.810 180 A HN 0.309 nan 8.150 nan 0.000 0.446 181 V N -2.663 117.341 119.914 0.150 0.000 2.548 181 V HA -0.111 4.009 4.120 -0.001 0.000 0.249 181 V C 1.779 177.774 176.094 -0.165 0.000 1.055 181 V CA 1.887 64.191 62.300 0.006 0.000 1.065 181 V CB -0.801 31.001 31.823 -0.036 0.000 0.681 181 V HN 0.418 nan 8.190 nan 0.000 0.462 182 E N 0.718 120.859 120.200 -0.098 0.000 2.418 182 E HA -0.011 4.338 4.350 -0.001 0.000 0.197 182 E C 0.754 177.261 176.600 -0.155 0.000 1.026 182 E CA 0.452 56.747 56.400 -0.176 0.000 0.862 182 E CB -0.167 29.444 29.700 -0.149 0.000 0.799 182 E HN 0.736 nan 8.360 nan 0.000 0.518 183 R N -1.135 119.353 120.500 -0.020 0.000 3.654 183 R HA -0.115 4.225 4.340 -0.001 0.000 0.302 183 R C 0.725 177.155 176.300 0.217 0.000 1.166 183 R CA 0.352 56.522 56.100 0.118 0.000 0.810 183 R CB -2.583 27.740 30.300 0.038 0.000 1.323 183 R HN 0.186 nan 8.270 nan 0.000 0.478 184 G N 0.365 109.258 108.800 0.155 0.000 2.720 184 G HA2 0.349 4.309 3.960 -0.001 0.000 0.237 184 G HA3 0.349 4.309 3.960 -0.001 0.000 0.237 184 G C 0.149 174.970 174.900 -0.132 0.000 1.239 184 G CA 0.014 45.172 45.100 0.096 0.000 0.847 184 G HN 0.055 nan 8.290 nan 0.000 0.593 185 V N -0.119 119.579 119.914 -0.361 0.000 3.007 185 V HA 0.855 4.975 4.120 -0.001 0.000 0.311 185 V C 0.620 176.126 176.094 -0.981 0.000 1.120 185 V CA -0.121 61.765 62.300 -0.690 0.000 0.980 185 V CB 1.883 33.418 31.823 -0.480 0.000 1.033 185 V HN 1.203 nan 8.190 nan 0.000 0.429 186 G N 0.205 108.345 108.800 -1.101 0.000 2.630 186 G HA2 0.572 4.531 3.960 -0.001 0.000 0.296 186 G HA3 0.572 4.531 3.960 -0.001 0.000 0.296 186 G C -0.836 173.574 174.900 -0.818 0.000 1.285 186 G CA -0.401 44.128 45.100 -0.950 0.000 0.958 186 G HN 0.605 nan 8.290 nan 0.000 0.479 187 Y N -0.077 120.246 120.300 0.039 0.000 2.490 187 Y HA 0.164 4.713 4.550 -0.001 0.000 0.281 187 Y C 2.152 178.143 175.900 0.153 0.000 1.174 187 Y CA 0.030 58.176 58.100 0.076 0.000 1.295 187 Y CB -0.536 37.949 38.460 0.041 0.000 1.062 187 Y HN 0.524 nan 8.280 nan 0.000 0.522 188 T N -2.562 112.127 114.554 0.226 0.000 2.814 188 T HA 0.185 4.534 4.350 -0.001 0.000 0.284 188 T C -1.779 173.002 174.700 0.135 0.000 0.998 188 T CA -1.942 60.281 62.100 0.205 0.000 0.935 188 T CB 1.146 70.106 68.868 0.153 0.000 1.167 188 T HN -0.237 nan 8.240 nan 0.000 0.545 189 P HA 0.003 nan 4.420 nan 0.000 0.222 189 P C 0.453 177.856 177.300 0.172 0.000 1.147 189 P CA 0.846 63.983 63.100 0.062 0.000 0.790 189 P CB -0.206 31.476 31.700 -0.030 0.000 0.780 190 Y N -0.677 119.638 120.300 0.025 0.000 2.477 190 Y HA 0.212 4.761 4.550 -0.001 0.000 0.303 190 Y C 2.353 178.344 175.900 0.152 0.000 1.202 190 Y CA 0.004 58.160 58.100 0.093 0.000 1.282 190 Y CB -1.314 37.206 38.460 0.100 0.000 1.071 190 Y HN -0.043 nan 8.280 nan 0.000 0.510 191 G N -0.424 108.511 108.800 0.225 0.000 2.475 191 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.220 191 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.220 191 G C 0.764 175.730 174.900 0.111 0.000 1.125 191 G CA 0.834 46.006 45.100 0.119 0.000 0.755 191 G HN 0.251 nan 8.290 nan 0.000 0.565 192 D N 0.003 120.476 120.400 0.123 0.000 2.508 192 D HA 0.097 4.737 4.640 -0.001 0.000 0.224 192 D C 1.374 177.824 176.300 0.250 0.000 1.171 192 D CA -0.266 53.807 54.000 0.121 0.000 1.006 192 D CB -0.606 40.249 40.800 0.093 0.000 1.073 192 D HN 0.483 nan 8.370 nan 0.000 0.513 193 H N 1.693 120.820 119.070 0.096 0.000 2.267 193 H HA -0.234 4.322 4.556 -0.001 0.000 0.291 193 H C 1.860 177.262 175.328 0.123 0.000 1.094 193 H CA 1.459 57.580 56.048 0.122 0.000 1.227 193 H CB -0.090 29.760 29.762 0.146 0.000 1.351 193 H HN 0.603 nan 8.280 nan 0.000 0.483 194 W N 1.766 123.150 121.300 0.141 0.000 2.318 194 W HA -0.234 4.426 4.660 -0.001 0.000 0.313 194 W C 1.859 178.441 176.519 0.104 0.000 1.221 194 W CA 1.169 58.533 57.345 0.031 0.000 1.266 194 W CB -0.183 29.282 29.460 0.008 0.000 1.150 194 W HN 0.210 nan 8.180 nan 0.000 0.496 195 M N 0.287 119.899 119.600 0.020 0.000 2.549 195 M HA -0.180 4.299 4.480 -0.001 0.000 0.260 195 M C 1.332 177.483 176.300 -0.248 0.000 1.076 195 M CA 0.921 56.161 55.300 -0.101 0.000 1.090 195 M CB -0.415 32.228 32.600 0.072 0.000 1.418 195 M HN -0.034 nan 8.290 nan 0.000 0.486 196 M N -0.907 118.546 119.600 -0.244 0.000 2.495 196 M HA 0.088 4.568 4.480 -0.001 0.000 0.237 196 M C 0.557 176.318 176.300 -0.899 0.000 1.131 196 M CA 0.334 55.402 55.300 -0.386 0.000 1.032 196 M CB -1.569 31.030 32.600 -0.002 0.000 1.513 196 M HN 0.292 nan 8.290 nan 0.000 0.488 197 H N -1.488 117.030 119.070 -0.920 0.000 2.551 197 H HA 0.556 5.111 4.556 -0.001 0.000 0.358 197 H C -0.546 174.170 175.328 -1.020 0.000 1.151 197 H CA -0.474 55.027 56.048 -0.912 0.000 1.374 197 H CB 1.088 30.341 29.762 -0.847 0.000 1.473 197 H HN 0.011 nan 8.280 nan 0.000 0.574 198 S N 2.584 117.710 115.700 -0.957 0.000 2.616 198 S HA 0.475 4.945 4.470 -0.001 0.000 0.276 198 S C -0.624 173.787 174.600 -0.314 0.000 1.159 198 S CA -0.040 57.725 58.200 -0.725 0.000 1.000 198 S CB 0.071 62.941 63.200 -0.550 0.000 1.117 198 S HN 1.774 nan 8.310 nan 0.000 0.464 199 G N 4.800 113.489 108.800 -0.184 0.000 3.445 199 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.634 199 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.634 199 G C -0.577 174.318 174.900 -0.008 0.000 0.909 199 G CA 0.227 45.289 45.100 -0.064 0.000 0.740 199 G HN 1.402 nan 8.290 nan 0.000 0.441 200 M N 0.571 120.299 119.600 0.214 0.000 2.593 200 M HA 0.894 5.373 4.480 -0.001 0.000 0.290 200 M C -0.548 175.922 176.300 0.282 0.000 1.244 200 M CA -1.174 54.261 55.300 0.224 0.000 0.857 200 M CB 2.641 35.287 32.600 0.076 0.000 1.738 200 M HN 0.530 nan 8.290 nan 0.000 0.461 201 E N 1.446 121.781 120.200 0.226 0.000 2.266 201 E HA 0.764 5.113 4.350 -0.001 0.000 0.268 201 E C -2.040 174.545 176.600 -0.025 0.000 0.879 201 E CA -0.878 55.576 56.400 0.090 0.000 0.762 201 E CB 2.730 32.515 29.700 0.142 0.000 1.199 201 E HN 0.689 nan 8.360 nan 0.000 0.422 202 V N 2.737 122.587 119.914 -0.106 0.000 2.932 202 V HA 0.281 4.401 4.120 -0.001 0.000 0.307 202 V C -0.609 175.443 176.094 -0.071 0.000 1.147 202 V CA -1.021 61.209 62.300 -0.117 0.000 0.951 202 V CB 1.915 33.570 31.823 -0.280 0.000 1.031 202 V HN 0.556 nan 8.190 nan 0.000 0.426 203 V N 5.085 124.979 119.914 -0.032 0.000 2.385 203 V HA 0.355 4.474 4.120 -0.001 0.000 0.269 203 V C 0.336 176.439 176.094 0.016 0.000 1.043 203 V CA -0.167 62.123 62.300 -0.017 0.000 0.906 203 V CB 1.043 32.856 31.823 -0.016 0.000 0.995 203 V HN 0.623 nan 8.190 nan 0.000 0.467 204 L N 3.721 124.961 121.223 0.028 0.000 2.475 204 L HA 0.279 4.618 4.340 -0.001 0.000 0.250 204 L C 2.007 178.897 176.870 0.034 0.000 1.224 204 L CA 0.203 55.081 54.840 0.064 0.000 0.821 204 L CB 0.247 42.339 42.059 0.055 0.000 1.141 204 L HN 0.709 nan 8.230 nan 0.000 0.494 205 A N 1.277 124.116 122.820 0.030 0.000 1.948 205 A HA -0.217 4.103 4.320 -0.001 0.000 0.220 205 A C 1.532 179.129 177.584 0.021 0.000 1.177 205 A CA 2.126 54.173 52.037 0.016 0.000 0.636 205 A CB -0.894 18.107 19.000 0.003 0.000 0.815 205 A HN 0.933 nan 8.150 nan 0.000 0.449 206 N N -1.131 117.581 118.700 0.019 0.000 2.434 206 N HA 0.284 5.023 4.740 -0.001 0.000 0.196 206 N C 1.002 176.519 175.510 0.012 0.000 1.183 206 N CA 1.186 54.246 53.050 0.017 0.000 0.849 206 N CB -0.295 38.199 38.487 0.012 0.000 0.992 206 N HN 0.777 nan 8.380 nan 0.000 0.460 207 G N -0.425 108.381 108.800 0.010 0.000 2.320 207 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.242 207 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.242 207 G C -0.255 174.641 174.900 -0.007 0.000 1.033 207 G CA 0.230 45.331 45.100 0.001 0.000 0.620 207 G HN 0.532 nan 8.290 nan 0.000 0.517 208 E N 0.799 120.996 120.200 -0.005 0.000 2.392 208 E HA 0.493 4.843 4.350 -0.001 0.000 0.264 208 E C 0.616 177.204 176.600 -0.020 0.000 1.024 208 E CA -0.285 56.107 56.400 -0.013 0.000 0.903 208 E CB 1.046 30.741 29.700 -0.008 0.000 0.963 208 E HN 0.413 nan 8.360 nan 0.000 0.432 209 L N 2.593 123.793 121.223 -0.038 0.000 2.439 209 L HA 0.410 4.750 4.340 -0.001 0.000 0.261 209 L C -0.322 176.508 176.870 -0.067 0.000 1.153 209 L CA -0.544 54.262 54.840 -0.058 0.000 0.808 209 L CB 0.451 42.463 42.059 -0.077 0.000 1.126 209 L HN 0.390 nan 8.230 nan 0.000 0.460 210 L N 1.676 122.843 121.223 -0.092 0.000 2.518 210 L HA 0.551 4.890 4.340 -0.001 0.000 0.257 210 L C -1.402 175.392 176.870 -0.127 0.000 0.980 210 L CA -0.290 54.490 54.840 -0.100 0.000 0.837 210 L CB 2.226 44.231 42.059 -0.091 0.000 1.410 210 L HN 0.474 nan 8.230 nan 0.000 0.410 211 R N 1.565 122.002 120.500 -0.106 0.000 2.510 211 R HA 0.528 4.867 4.340 -0.001 0.000 0.294 211 R C -0.911 175.398 176.300 0.016 0.000 1.056 211 R CA -0.506 55.556 56.100 -0.064 0.000 0.918 211 R CB 1.835 31.977 30.300 -0.263 0.000 1.187 211 R HN 0.830 nan 8.270 nan 0.000 0.437 212 T N -0.249 114.342 114.554 0.062 0.000 2.813 212 T HA 0.478 4.827 4.350 -0.001 0.000 0.297 212 T C 1.182 175.969 174.700 0.145 0.000 1.036 212 T CA 0.241 62.396 62.100 0.091 0.000 1.044 212 T CB 1.287 70.207 68.868 0.088 0.000 0.993 212 T HN 0.779 nan 8.240 nan 0.000 0.535 213 G N 1.772 110.669 108.800 0.160 0.000 2.611 213 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.301 213 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.301 213 G C 0.929 175.900 174.900 0.117 0.000 1.233 213 G CA 0.407 45.583 45.100 0.127 0.000 0.993 213 G HN 0.736 nan 8.290 nan 0.000 0.553 214 M N 2.209 121.867 119.600 0.096 0.000 2.630 214 M HA 0.051 4.530 4.480 -0.001 0.000 0.254 214 M C 2.725 179.096 176.300 0.118 0.000 1.092 214 M CA 1.612 56.980 55.300 0.112 0.000 1.087 214 M CB -1.485 31.188 32.600 0.120 0.000 1.453 214 M HN 0.740 nan 8.290 nan 0.000 0.509 215 G N 0.479 109.385 108.800 0.177 0.000 2.450 215 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.220 215 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.220 215 G C 1.606 176.511 174.900 0.009 0.000 1.130 215 G CA 1.090 46.349 45.100 0.265 0.000 0.760 215 G HN 0.543 nan 8.290 nan 0.000 0.557 216 A N -0.346 122.496 122.820 0.037 0.000 2.014 216 A HA 0.271 4.591 4.320 -0.001 0.000 0.218 216 A C 1.297 178.887 177.584 0.009 0.000 1.163 216 A CA 0.194 52.237 52.037 0.010 0.000 0.652 216 A CB -0.108 18.923 19.000 0.052 0.000 0.808 216 A HN 0.330 nan 8.150 nan 0.000 0.449 217 L N 2.074 123.317 121.223 0.033 0.000 2.407 217 L HA 0.278 4.617 4.340 -0.001 0.000 0.282 217 L C -2.627 174.242 176.870 -0.001 0.000 1.110 217 L CA -2.009 52.844 54.840 0.022 0.000 0.863 217 L CB 0.530 42.616 42.059 0.044 0.000 1.207 217 L HN 0.024 nan 8.230 nan 0.000 0.454 218 P HA 0.057 nan 4.420 nan 0.000 0.268 218 P C -0.644 176.643 177.300 -0.022 0.000 1.204 218 P CA -0.342 62.732 63.100 -0.043 0.000 0.768 218 P CB 0.488 32.159 31.700 -0.048 0.000 0.842 219 D N 3.729 124.115 120.400 -0.023 0.000 2.455 219 D HA 0.100 4.740 4.640 -0.001 0.000 0.241 219 D C -1.984 174.315 176.300 -0.003 0.000 1.138 219 D CA -1.110 52.894 54.000 0.006 0.000 0.877 219 D CB -0.347 40.464 40.800 0.017 0.000 1.187 219 D HN 0.200 nan 8.370 nan 0.000 0.451 220 P HA 0.090 nan 4.420 nan 0.000 0.272 220 P C -0.330 176.969 177.300 -0.002 0.000 1.223 220 P CA -0.365 62.734 63.100 -0.002 0.000 0.784 220 P CB 0.478 32.178 31.700 0.001 0.000 0.923 221 K N 2.698 123.094 120.400 -0.006 0.000 2.286 221 K HA 0.210 4.530 4.320 -0.001 0.000 0.256 221 K C 0.000 176.599 176.600 -0.002 0.000 0.999 221 K CA -0.073 56.210 56.287 -0.006 0.000 0.908 221 K CB 0.338 32.833 32.500 -0.009 0.000 0.981 221 K HN 0.624 nan 8.250 nan 0.000 0.500 222 R N 1.143 121.643 120.500 -0.001 0.000 3.197 222 R HA 0.100 4.439 4.340 -0.001 0.000 0.261 222 R C -2.752 173.549 176.300 0.001 0.000 1.015 222 R CA -1.323 54.778 56.100 0.002 0.000 0.949 222 R CB 0.566 30.870 30.300 0.006 0.000 1.256 222 R HN 0.336 nan 8.270 nan 0.000 0.514 223 P HA -0.341 nan 4.420 nan 0.000 0.216 223 P C 1.038 178.339 177.300 0.002 0.000 1.167 223 P CA 2.127 65.228 63.100 0.001 0.000 0.933 223 P CB -0.072 31.629 31.700 0.002 0.000 0.793 224 E N -0.054 120.149 120.200 0.006 0.000 2.169 224 E HA -0.221 4.129 4.350 -0.001 0.000 0.202 224 E C 1.498 178.104 176.600 0.009 0.000 1.016 224 E CA 2.512 58.917 56.400 0.008 0.000 0.817 224 E CB -2.093 27.614 29.700 0.012 0.000 0.736 224 E HN 0.439 nan 8.360 nan 0.000 0.462 225 T N -1.988 112.570 114.554 0.007 0.000 3.086 225 T HA 0.211 4.561 4.350 -0.001 0.000 0.250 225 T C 0.966 175.663 174.700 -0.005 0.000 1.074 225 T CA -0.460 61.642 62.100 0.003 0.000 0.988 225 T CB 0.007 68.877 68.868 0.004 0.000 0.988 225 T HN -0.103 nan 8.240 nan 0.000 0.530 226 M N 1.814 121.411 119.600 -0.005 0.000 2.249 226 M HA 0.368 4.848 4.480 -0.001 0.000 0.340 226 M C 1.810 178.104 176.300 -0.011 0.000 1.166 226 M CA 0.877 56.171 55.300 -0.009 0.000 1.115 226 M CB -0.770 31.825 32.600 -0.007 0.000 1.606 226 M HN 0.560 nan 8.290 nan 0.000 0.448 227 G N 2.423 111.214 108.800 -0.015 0.000 2.184 227 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.264 227 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.264 227 G C 0.029 174.919 174.900 -0.017 0.000 0.975 227 G CA -0.040 45.051 45.100 -0.015 0.000 0.642 227 G HN 0.593 nan 8.290 nan 0.000 0.536 228 L N 0.415 121.627 121.223 -0.019 0.000 2.371 228 L HA 0.370 4.710 4.340 -0.001 0.000 0.272 228 L C 1.183 178.035 176.870 -0.031 0.000 1.124 228 L CA -0.649 54.179 54.840 -0.020 0.000 0.816 228 L CB 0.783 42.830 42.059 -0.020 0.000 1.129 228 L HN 0.042 nan 8.230 nan 0.000 0.448 229 K N 3.260 123.642 120.400 -0.030 0.000 2.380 229 K HA 0.023 4.343 4.320 -0.001 0.000 0.267 229 K C -1.435 175.131 176.600 -0.057 0.000 0.990 229 K CA -1.166 55.098 56.287 -0.039 0.000 0.946 229 K CB 0.530 33.010 32.500 -0.034 0.000 0.937 229 K HN 0.320 nan 8.250 nan 0.000 0.491 230 P HA -0.278 nan 4.420 nan 0.000 0.216 230 P C 0.624 177.848 177.300 -0.127 0.000 1.157 230 P CA 1.597 64.636 63.100 -0.102 0.000 0.880 230 P CB -0.040 31.604 31.700 -0.093 0.000 0.791 231 E N -0.567 119.576 120.200 -0.095 0.000 2.333 231 E HA -0.181 4.169 4.350 -0.001 0.000 0.198 231 E C 0.730 177.290 176.600 -0.066 0.000 1.007 231 E CA 1.074 57.423 56.400 -0.085 0.000 0.845 231 E CB -0.831 28.839 29.700 -0.050 0.000 0.766 231 E HN 0.277 nan 8.360 nan 0.000 0.507 232 D N 0.914 121.279 120.400 -0.059 0.000 2.366 232 D HA 0.014 4.654 4.640 -0.001 0.000 0.205 232 D C 0.252 176.530 176.300 -0.037 0.000 1.022 232 D CA 0.264 54.245 54.000 -0.031 0.000 0.868 232 D CB 0.173 40.965 40.800 -0.014 0.000 0.953 232 D HN 0.287 nan 8.370 nan 0.000 0.514 233 Q N 2.381 122.129 119.800 -0.087 0.000 2.352 233 Q HA 0.230 4.570 4.340 -0.001 0.000 0.260 233 Q C -2.042 173.888 176.000 -0.117 0.000 0.976 233 Q CA -1.443 54.306 55.803 -0.090 0.000 0.881 233 Q CB 0.435 29.095 28.738 -0.130 0.000 1.235 233 Q HN 0.089 nan 8.270 nan 0.000 0.419 234 P HA -0.011 nan 4.420 nan 0.000 0.272 234 P C -1.131 176.208 177.300 0.066 0.000 1.254 234 P CA 0.030 63.201 63.100 0.118 0.000 0.795 234 P CB 0.489 32.256 31.700 0.113 0.000 1.022 235 W N -0.955 120.363 121.300 0.031 0.000 2.578 235 W HA 0.431 5.090 4.660 -0.001 0.000 0.353 235 W C 1.004 177.503 176.519 -0.034 0.000 1.088 235 W CA -0.382 56.942 57.345 -0.034 0.000 1.235 235 W CB 0.238 29.616 29.460 -0.137 0.000 1.362 235 W HN 0.227 nan 8.180 nan 0.000 0.592 236 S N 1.030 116.843 115.700 0.188 0.000 2.572 236 S HA -0.007 4.463 4.470 -0.001 0.000 0.267 236 S C 1.382 176.049 174.600 0.111 0.000 1.361 236 S CA 0.126 58.389 58.200 0.106 0.000 1.009 236 S CB 0.590 63.836 63.200 0.077 0.000 0.888 236 S HN 0.536 nan 8.310 nan 0.000 0.553 237 K N 1.546 121.997 120.400 0.084 0.000 1.987 237 K HA -0.121 4.198 4.320 -0.001 0.000 0.216 237 K C 1.774 178.418 176.600 0.073 0.000 1.051 237 K CA 1.740 58.078 56.287 0.084 0.000 0.942 237 K CB -0.309 32.225 32.500 0.057 0.000 0.722 237 K HN 0.577 nan 8.250 nan 0.000 0.444 238 I N 0.883 121.484 120.570 0.052 0.000 3.111 238 I HA -0.047 4.122 4.170 -0.001 0.000 0.272 238 I C 2.280 178.416 176.117 0.031 0.000 1.268 238 I CA 0.544 61.876 61.300 0.054 0.000 1.467 238 I CB -1.778 36.263 38.000 0.068 0.000 1.087 238 I HN 0.093 nan 8.210 nan 0.000 0.467 239 A N 1.590 124.391 122.820 -0.031 0.000 1.900 239 A HA -0.284 4.036 4.320 -0.001 0.000 0.225 239 A C 1.862 179.272 177.584 -0.291 0.000 1.414 239 A CA 2.363 54.308 52.037 -0.153 0.000 0.702 239 A CB -1.612 17.228 19.000 -0.267 0.000 0.845 239 A HN 0.625 nan 8.150 nan 0.000 0.478 240 H N -1.315 117.596 119.070 -0.266 0.000 2.567 240 H HA 0.474 5.030 4.556 -0.001 0.000 0.294 240 H C 0.585 175.784 175.328 -0.216 0.000 1.050 240 H CA 0.050 55.807 56.048 -0.485 0.000 1.168 240 H CB 0.042 29.167 29.762 -1.063 0.000 1.422 240 H HN 0.385 nan 8.280 nan 0.000 0.562 241 L N -0.551 120.731 121.223 0.098 0.000 3.217 241 L HA 0.220 4.559 4.340 -0.001 0.000 0.288 241 L C -0.755 176.284 176.870 0.283 0.000 1.202 241 L CA -0.143 54.798 54.840 0.168 0.000 1.027 241 L CB 0.964 43.060 42.059 0.061 0.000 1.427 241 L HN 0.122 nan 8.230 nan 0.000 0.600 242 F N 2.091 122.066 119.950 0.043 0.000 3.152 242 F HA 0.389 4.915 4.527 -0.001 0.000 0.367 242 F C -2.212 173.517 175.800 -0.118 0.000 1.272 242 F CA -1.806 56.159 58.000 -0.059 0.000 1.172 242 F CB 1.543 40.481 39.000 -0.103 0.000 1.552 242 F HN -0.262 nan 8.300 nan 0.000 0.616 243 P HA -0.221 nan 4.420 nan 0.000 0.215 243 P C 1.146 178.035 177.300 -0.684 0.000 1.153 243 P CA 1.703 64.469 63.100 -0.558 0.000 0.853 243 P CB -0.013 31.332 31.700 -0.591 0.000 0.788 244 Y N -0.189 119.246 120.300 -1.441 0.000 2.509 244 Y HA 0.192 4.741 4.550 -0.001 0.000 0.293 244 Y C 2.269 177.784 175.900 -0.642 0.000 1.133 244 Y CA 0.019 57.348 58.100 -1.286 0.000 1.283 244 Y CB -1.605 36.208 38.460 -1.079 0.000 1.001 244 Y HN 0.122 nan 8.280 nan 0.000 0.555 245 G N 0.757 109.388 108.800 -0.283 0.000 2.583 245 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.292 245 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.292 245 G C -0.553 174.527 174.900 0.300 0.000 1.203 245 G CA 0.431 45.606 45.100 0.125 0.000 0.987 245 G HN 0.397 nan 8.290 nan 0.000 0.554 246 F N 0.609 120.626 119.950 0.111 0.000 2.601 246 F HA 0.620 5.146 4.527 -0.001 0.000 0.309 246 F C 0.779 176.629 175.800 0.083 0.000 1.089 246 F CA 1.433 59.497 58.000 0.106 0.000 0.940 246 F CB 1.349 40.406 39.000 0.095 0.000 1.273 246 F HN 2.428 nan 8.300 nan 0.000 0.450 247 G N 3.756 111.855 108.800 -1.168 0.000 2.562 247 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.250 247 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.250 247 G C -2.595 172.155 174.900 -0.250 0.000 1.269 247 G CA -0.628 44.032 45.100 -0.733 0.000 0.919 247 G HN 0.671 nan 8.290 nan 0.000 0.574 248 P HA 0.280 nan 4.420 nan 0.000 0.265 248 P C -0.632 176.724 177.300 0.094 0.000 1.193 248 P CA 0.204 63.300 63.100 -0.007 0.000 0.765 248 P CB 0.211 31.926 31.700 0.025 0.000 0.823 249 Y N 4.666 124.924 120.300 -0.070 0.000 2.751 249 Y HA 0.221 4.770 4.550 -0.001 0.000 0.333 249 Y C 1.197 177.130 175.900 0.056 0.000 1.122 249 Y CA -0.873 57.199 58.100 -0.046 0.000 1.367 249 Y CB -0.601 37.743 38.460 -0.193 0.000 1.242 249 Y HN 0.306 nan 8.280 nan 0.000 0.505 250 I N -0.931 119.667 120.570 0.047 0.000 3.059 250 I HA -0.009 4.160 4.170 -0.001 0.000 0.270 250 I C 1.077 177.269 176.117 0.126 0.000 1.238 250 I CA 0.670 62.009 61.300 0.064 0.000 1.478 250 I CB 0.087 38.203 38.000 0.192 0.000 1.097 250 I HN 0.182 nan 8.210 nan 0.000 0.455 251 D N 2.876 123.295 120.400 0.031 0.000 2.200 251 D HA -0.228 4.412 4.640 -0.001 0.000 0.192 251 D C 2.279 178.805 176.300 0.376 0.000 1.008 251 D CA 1.985 56.130 54.000 0.242 0.000 0.872 251 D CB -0.762 40.157 40.800 0.198 0.000 0.923 251 D HN 0.579 nan 8.370 nan 0.000 0.447 252 G N 0.238 109.104 108.800 0.110 0.000 2.470 252 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.220 252 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.220 252 G C 1.504 176.307 174.900 -0.160 0.000 1.121 252 G CA 0.209 45.292 45.100 -0.028 0.000 0.766 252 G HN 0.302 nan 8.290 nan 0.000 0.553 253 L N -0.610 120.520 121.223 -0.155 0.000 2.362 253 L HA 0.077 4.417 4.340 -0.001 0.000 0.219 253 L C 1.700 178.157 176.870 -0.688 0.000 1.134 253 L CA 0.425 54.991 54.840 -0.456 0.000 0.807 253 L CB -0.333 41.308 42.059 -0.697 0.000 0.927 253 L HN 0.161 nan 8.230 nan 0.000 0.447 254 F N -0.104 119.754 119.950 -0.152 0.000 2.773 254 F HA 0.042 4.569 4.527 -0.001 0.000 0.304 254 F C 1.108 176.722 175.800 -0.310 0.000 1.129 254 F CA -0.326 57.577 58.000 -0.162 0.000 1.378 254 F CB -0.288 38.687 39.000 -0.041 0.000 1.095 254 F HN -0.017 nan 8.300 nan 0.000 0.565 255 S N -0.375 115.066 115.700 -0.432 0.000 2.605 255 S HA 0.392 4.861 4.470 -0.001 0.000 0.308 255 S C -0.237 174.082 174.600 -0.469 0.000 1.113 255 S CA -0.765 57.062 58.200 -0.621 0.000 1.049 255 S CB 1.506 63.896 63.200 -1.350 0.000 1.001 255 S HN 0.313 nan 8.310 nan 0.000 0.480 256 Q N 0.477 120.050 119.800 -0.378 0.000 2.460 256 Q HA -0.172 4.167 4.340 -0.001 0.000 0.311 256 Q C -0.229 175.592 176.000 -0.298 0.000 1.396 256 Q CA 0.992 56.601 55.803 -0.322 0.000 0.838 256 Q CB -2.038 26.511 28.738 -0.315 0.000 1.140 256 Q HN 1.142 nan 8.270 nan 0.000 0.415 257 S N -0.957 114.556 115.700 -0.311 0.000 2.625 257 S HA 0.611 5.080 4.470 -0.001 0.000 0.271 257 S C -0.190 174.216 174.600 -0.324 0.000 1.161 257 S CA -0.519 57.492 58.200 -0.315 0.000 0.820 257 S CB 1.138 64.124 63.200 -0.356 0.000 1.137 257 S HN 0.295 nan 8.310 nan 0.000 0.470 258 N N 0.623 119.133 118.700 -0.317 0.000 2.320 258 N HA 0.197 4.936 4.740 -0.001 0.000 0.237 258 N C 0.871 176.227 175.510 -0.257 0.000 1.129 258 N CA -0.443 52.429 53.050 -0.297 0.000 0.854 258 N CB -0.209 38.099 38.487 -0.298 0.000 1.083 258 N HN 0.465 nan 8.380 nan 0.000 0.504 259 M N -0.327 119.078 119.600 -0.325 0.000 2.175 259 M HA 0.177 4.657 4.480 -0.001 0.000 0.264 259 M C 0.996 177.212 176.300 -0.139 0.000 1.063 259 M CA 0.781 55.865 55.300 -0.359 0.000 1.119 259 M CB -0.841 31.315 32.600 -0.739 0.000 1.377 259 M HN 0.357 nan 8.290 nan 0.000 0.415 260 G N -0.590 108.216 108.800 0.009 0.000 2.649 260 G HA2 0.605 4.565 3.960 -0.001 0.000 0.290 260 G HA3 0.605 4.565 3.960 -0.001 0.000 0.290 260 G C -1.439 173.513 174.900 0.086 0.000 1.426 260 G CA -0.783 44.423 45.100 0.176 0.000 0.794 260 G HN 0.121 nan 8.290 nan 0.000 0.483 261 I N 1.055 121.648 120.570 0.038 0.000 2.336 261 I HA 0.293 4.462 4.170 -0.001 0.000 0.292 261 I C 0.124 176.235 176.117 -0.009 0.000 0.991 261 I CA -0.812 60.476 61.300 -0.020 0.000 1.227 261 I CB 1.710 39.685 38.000 -0.041 0.000 1.366 261 I HN 0.038 nan 8.210 nan 0.000 0.466 262 V N 5.630 125.533 119.914 -0.019 0.000 2.649 262 V HA 0.140 4.260 4.120 -0.001 0.000 0.292 262 V C 1.094 177.177 176.094 -0.018 0.000 1.055 262 V CA 0.227 62.518 62.300 -0.016 0.000 1.023 262 V CB 1.298 33.120 31.823 -0.002 0.000 0.992 262 V HN 0.973 nan 8.190 nan 0.000 0.480 263 T N 0.397 114.950 114.554 -0.002 0.000 2.966 263 T HA 0.390 4.740 4.350 -0.001 0.000 0.254 263 T C 0.234 174.956 174.700 0.037 0.000 0.961 263 T CA -0.192 61.913 62.100 0.009 0.000 0.915 263 T CB 0.408 69.283 68.868 0.013 0.000 1.186 263 T HN 0.544 nan 8.240 nan 0.000 0.505 264 K N 0.039 120.477 120.400 0.063 0.000 2.625 264 K HA 0.703 5.023 4.320 -0.001 0.000 0.284 264 K C -2.184 174.459 176.600 0.072 0.000 0.984 264 K CA -0.743 55.597 56.287 0.088 0.000 0.865 264 K CB 2.791 35.431 32.500 0.234 0.000 1.468 264 K HN 0.191 nan 8.250 nan 0.000 0.407 265 I N 0.017 120.573 120.570 -0.023 0.000 2.785 265 I HA 0.367 4.536 4.170 -0.001 0.000 0.293 265 I C -1.157 174.795 176.117 -0.275 0.000 1.446 265 I CA -0.425 60.809 61.300 -0.111 0.000 1.028 265 I CB 1.999 39.957 38.000 -0.070 0.000 1.349 265 I HN 0.727 nan 8.210 nan 0.000 0.438 266 G N 7.770 116.328 108.800 -0.402 0.000 2.327 266 G HA2 0.550 4.509 3.960 -0.001 0.000 0.302 266 G HA3 0.550 4.509 3.960 -0.001 0.000 0.302 266 G C -0.810 173.828 174.900 -0.437 0.000 1.113 266 G CA -0.250 44.496 45.100 -0.590 0.000 0.921 266 G HN 0.306 nan 8.290 nan 0.000 0.425 267 I N 2.912 123.300 120.570 -0.303 0.000 2.378 267 I HA 0.338 4.507 4.170 -0.001 0.000 0.291 267 I C -0.547 175.579 176.117 0.016 0.000 0.992 267 I CA -1.765 59.399 61.300 -0.226 0.000 1.154 267 I CB 1.442 39.372 38.000 -0.116 0.000 1.315 267 I HN 0.425 nan 8.210 nan 0.000 0.448 268 W N 6.622 127.941 121.300 0.032 0.000 2.218 268 W HA 0.326 4.986 4.660 -0.001 0.000 0.326 268 W C 0.005 176.653 176.519 0.216 0.000 1.276 268 W CA -0.610 56.831 57.345 0.160 0.000 1.210 268 W CB 0.226 29.815 29.460 0.214 0.000 1.143 268 W HN 0.217 nan 8.180 nan 0.000 0.563 269 L N 4.273 125.749 121.223 0.422 0.000 2.325 269 L HA 0.440 4.779 4.340 -0.001 0.000 0.279 269 L C 0.391 177.133 176.870 -0.213 0.000 1.054 269 L CA -0.870 54.033 54.840 0.104 0.000 0.804 269 L CB 1.159 43.245 42.059 0.046 0.000 1.200 269 L HN 0.246 nan 8.230 nan 0.000 0.436 270 M N 5.469 124.706 119.600 -0.605 0.000 2.084 270 M HA 0.322 4.802 4.480 -0.001 0.000 0.351 270 M C -2.337 173.725 176.300 -0.397 0.000 1.240 270 M CA -1.692 53.042 55.300 -0.943 0.000 1.083 270 M CB 1.289 33.166 32.600 -1.206 0.000 1.593 270 M HN 0.179 nan 8.290 nan 0.000 0.463 271 P HA -0.012 nan 4.420 nan 0.000 0.268 271 P C -0.829 176.184 177.300 -0.478 0.000 1.204 271 P CA -0.027 62.902 63.100 -0.286 0.000 0.768 271 P CB 0.253 31.833 31.700 -0.200 0.000 0.842 272 N N 4.519 122.861 118.700 -0.596 0.000 2.356 272 N HA -0.040 4.700 4.740 -0.001 0.000 0.252 272 N C -1.323 173.836 175.510 -0.585 0.000 1.241 272 N CA -0.825 51.623 53.050 -1.003 0.000 0.861 272 N CB 0.272 38.421 38.487 -0.565 0.000 1.075 272 N HN 0.282 nan 8.380 nan 0.000 0.461 273 P HA 0.052 nan 4.420 nan 0.000 0.245 273 P C -0.221 176.986 177.300 -0.155 0.000 1.203 273 P CA 0.550 63.478 63.100 -0.287 0.000 0.792 273 P CB 0.082 31.670 31.700 -0.186 0.000 0.997 274 R N -0.417 119.984 120.500 -0.165 0.000 2.992 274 R HA 0.168 4.507 4.340 -0.001 0.000 0.263 274 R C 0.491 176.779 176.300 -0.020 0.000 0.902 274 R CA 1.016 57.077 56.100 -0.066 0.000 0.667 274 R CB -3.008 nan 30.300 nan 0.000 1.504 274 R HN 0.816 nan 8.270 nan 0.000 0.489 275 G N -0.828 107.981 108.800 0.016 0.000 2.944 275 G HA2 0.493 4.453 3.960 -0.001 0.000 0.471 275 G HA3 0.493 4.453 3.960 -0.001 0.000 0.471 275 G C -1.108 173.867 174.900 0.124 0.000 1.388 275 G CA 0.094 45.221 45.100 0.046 0.000 1.087 275 G HN 2.059 nan 8.290 nan 0.000 0.596 276 Y N 2.469 122.749 120.300 -0.034 0.000 2.301 276 Y HA 0.721 5.271 4.550 -0.001 0.000 0.325 276 Y C -0.714 175.102 175.900 -0.139 0.000 1.103 276 Y CA -1.371 56.691 58.100 -0.063 0.000 1.182 276 Y CB 2.296 40.833 38.460 0.129 0.000 1.139 276 Y HN 0.641 nan 8.280 nan 0.000 0.443 277 Q N 4.038 123.500 119.800 -0.564 0.000 2.368 277 Q HA 0.500 4.839 4.340 -0.001 0.000 0.263 277 Q C -0.878 174.708 176.000 -0.689 0.000 1.009 277 Q CA -0.455 54.934 55.803 -0.690 0.000 0.818 277 Q CB 1.278 29.645 28.738 -0.618 0.000 1.239 277 Q HN 0.670 nan 8.270 nan 0.000 0.464 278 S N 3.353 118.597 115.700 -0.760 0.000 2.617 278 S HA 0.867 5.336 4.470 -0.001 0.000 0.283 278 S C -0.576 174.065 174.600 0.070 0.000 1.189 278 S CA -0.313 57.657 58.200 -0.384 0.000 1.036 278 S CB 0.867 63.867 63.200 -0.335 0.000 1.014 278 S HN 0.619 nan 8.310 nan 0.000 0.522 279 Y N -0.164 120.143 120.300 0.011 0.000 2.958 279 Y HA 0.834 5.384 4.550 -0.001 0.000 0.315 279 Y C -1.751 174.119 175.900 -0.050 0.000 1.541 279 Y CA -1.656 56.468 58.100 0.041 0.000 1.087 279 Y CB 0.730 39.166 38.460 -0.040 0.000 1.593 279 Y HN 0.862 nan 8.280 nan 0.000 0.446 280 L N 1.654 123.015 121.223 0.231 0.000 2.795 280 L HA 0.562 4.901 4.340 -0.001 0.000 0.260 280 L C -2.213 174.739 176.870 0.137 0.000 0.935 280 L CA -0.712 54.079 54.840 -0.081 0.000 0.985 280 L CB 1.438 43.252 42.059 -0.408 0.000 1.433 280 L HN 0.691 nan 8.230 nan 0.000 0.447 281 I N 3.878 124.501 120.570 0.087 0.000 2.331 281 I HA 0.426 4.595 4.170 -0.001 0.000 0.292 281 I C 0.447 176.466 176.117 -0.162 0.000 0.998 281 I CA -0.451 60.784 61.300 -0.108 0.000 1.267 281 I CB 1.876 39.709 38.000 -0.277 0.000 1.386 281 I HN 0.771 nan 8.210 nan 0.000 0.476 282 T N 5.229 119.696 114.554 -0.145 0.000 2.882 282 T HA 0.631 4.981 4.350 -0.001 0.000 0.287 282 T C -0.432 174.230 174.700 -0.062 0.000 0.992 282 T CA -0.763 61.265 62.100 -0.120 0.000 1.076 282 T CB 1.185 69.995 68.868 -0.097 0.000 0.961 282 T HN 0.338 nan 8.240 nan 0.000 0.490 283 L N 4.650 125.881 121.223 0.014 0.000 2.296 283 L HA 0.372 4.712 4.340 -0.001 0.000 0.286 283 L C -1.658 175.244 176.870 0.053 0.000 1.023 283 L CA -2.572 52.312 54.840 0.072 0.000 0.812 283 L CB 2.120 44.288 42.059 0.182 0.000 1.223 283 L HN 0.458 nan 8.230 nan 0.000 0.421 284 P HA -0.039 nan 4.420 nan 0.000 0.213 284 P C -0.145 177.165 177.300 0.015 0.000 1.169 284 P CA 0.996 64.102 63.100 0.009 0.000 0.885 284 P CB 0.274 31.977 31.700 0.004 0.000 0.779 285 K N 0.528 120.959 120.400 0.052 0.000 2.174 285 K HA 0.069 4.389 4.320 -0.001 0.000 0.275 285 K C 0.751 177.446 176.600 0.158 0.000 1.015 285 K CA -0.180 56.148 56.287 0.067 0.000 0.933 285 K CB 0.285 32.819 32.500 0.056 0.000 1.025 285 K HN -0.104 nan 8.250 nan 0.000 0.463 286 D N 1.953 122.430 120.400 0.129 0.000 2.182 286 D HA -0.112 4.528 4.640 -0.001 0.000 0.201 286 D C 1.365 177.927 176.300 0.437 0.000 0.986 286 D CA 1.408 55.567 54.000 0.265 0.000 0.847 286 D CB 0.100 41.008 40.800 0.180 0.000 0.942 286 D HN 0.785 nan 8.370 nan 0.000 0.467 287 G N -0.677 108.259 108.800 0.226 0.000 2.848 287 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.208 287 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.208 287 G C 1.247 176.192 174.900 0.074 0.000 1.152 287 G CA 0.114 45.297 45.100 0.138 0.000 0.789 287 G HN 0.151 nan 8.290 nan 0.000 0.531 288 D N 0.410 120.886 120.400 0.127 0.000 2.144 288 D HA -0.107 4.532 4.640 -0.001 0.000 0.200 288 D C 2.428 178.662 176.300 -0.111 0.000 0.978 288 D CA 0.354 54.381 54.000 0.045 0.000 0.833 288 D CB -0.166 40.692 40.800 0.098 0.000 0.961 288 D HN 0.264 nan 8.370 nan 0.000 0.470 289 L N 1.746 122.818 121.223 -0.251 0.000 2.010 289 L HA -0.270 4.069 4.340 -0.001 0.000 0.219 289 L C 2.080 178.682 176.870 -0.446 0.000 1.077 289 L CA 2.097 56.508 54.840 -0.715 0.000 0.773 289 L CB -0.599 40.902 42.059 -0.929 0.000 0.892 289 L HN -0.072 nan 8.230 nan 0.000 0.436 290 K N -1.020 119.229 120.400 -0.252 0.000 2.009 290 K HA -0.287 4.033 4.320 -0.001 0.000 0.210 290 K C 2.299 178.778 176.600 -0.202 0.000 1.049 290 K CA 2.150 58.316 56.287 -0.202 0.000 0.929 290 K CB -0.393 32.046 32.500 -0.102 0.000 0.714 290 K HN 0.624 nan 8.250 nan 0.000 0.440 291 Q N -0.141 119.558 119.800 -0.169 0.000 2.046 291 Q HA -0.152 4.187 4.340 -0.001 0.000 0.200 291 Q C 2.014 177.856 176.000 -0.264 0.000 0.975 291 Q CA 1.480 57.175 55.803 -0.180 0.000 0.836 291 Q CB -0.244 28.412 28.738 -0.137 0.000 0.896 291 Q HN 0.481 nan 8.270 nan 0.000 0.428 292 A N 0.025 122.681 122.820 -0.274 0.000 1.929 292 A HA -0.257 4.063 4.320 -0.001 0.000 0.221 292 A C 2.186 179.525 177.584 -0.409 0.000 1.211 292 A CA 2.157 53.991 52.037 -0.338 0.000 0.657 292 A CB -1.069 17.781 19.000 -0.250 0.000 0.827 292 A HN 0.339 nan 8.150 nan 0.000 0.462 293 V N 0.321 120.008 119.914 -0.378 0.000 2.323 293 V HA -0.206 3.914 4.120 -0.001 0.000 0.244 293 V C 2.116 178.051 176.094 -0.265 0.000 1.041 293 V CA 2.055 64.150 62.300 -0.341 0.000 1.025 293 V CB -0.876 30.740 31.823 -0.345 0.000 0.656 293 V HN 0.519 nan 8.190 nan 0.000 0.451 294 D N 0.097 120.357 120.400 -0.233 0.000 2.190 294 D HA -0.171 4.468 4.640 -0.001 0.000 0.200 294 D C 2.014 178.187 176.300 -0.212 0.000 0.992 294 D CA 1.393 55.284 54.000 -0.181 0.000 0.854 294 D CB -0.093 40.615 40.800 -0.154 0.000 0.936 294 D HN 0.420 nan 8.370 nan 0.000 0.462 295 I N 0.787 121.170 120.570 -0.312 0.000 2.110 295 I HA -0.227 3.943 4.170 -0.001 0.000 0.236 295 I C 2.448 178.371 176.117 -0.323 0.000 1.068 295 I CA 0.792 61.845 61.300 -0.411 0.000 1.333 295 I CB -0.166 37.388 38.000 -0.744 0.000 1.054 295 I HN -0.085 nan 8.210 nan 0.000 0.402 296 I N 0.215 120.595 120.570 -0.316 0.000 2.530 296 I HA -0.300 3.870 4.170 -0.001 0.000 0.257 296 I C 2.671 178.751 176.117 -0.061 0.000 1.179 296 I CA 0.892 62.110 61.300 -0.136 0.000 1.440 296 I CB -0.572 37.327 38.000 -0.169 0.000 1.087 296 I HN 0.271 nan 8.210 nan 0.000 0.440 297 R N 1.411 121.851 120.500 -0.100 0.000 2.132 297 R HA -0.198 4.141 4.340 -0.001 0.000 0.233 297 R C -0.406 175.881 176.300 -0.022 0.000 1.125 297 R CA 2.582 58.649 56.100 -0.055 0.000 0.914 297 R CB -1.352 28.905 30.300 -0.071 0.000 0.845 297 R HN 0.259 nan 8.270 nan 0.000 0.431 298 P HA -0.083 nan 4.420 nan 0.000 0.225 298 P C 1.283 178.592 177.300 0.015 0.000 1.156 298 P CA 1.187 64.281 63.100 -0.011 0.000 0.787 298 P CB -0.064 31.620 31.700 -0.027 0.000 0.802 299 L N -1.055 120.182 121.223 0.023 0.000 2.156 299 L HA -0.045 4.295 4.340 -0.001 0.000 0.208 299 L C 2.878 179.811 176.870 0.106 0.000 1.095 299 L CA 0.953 55.837 54.840 0.074 0.000 0.770 299 L CB -0.564 41.568 42.059 0.121 0.000 0.914 299 L HN -0.085 nan 8.230 nan 0.000 0.439 300 R N 0.668 121.228 120.500 0.100 0.000 2.066 300 R HA -0.103 4.236 4.340 -0.001 0.000 0.232 300 R C 2.017 178.370 176.300 0.089 0.000 1.131 300 R CA 1.527 57.697 56.100 0.118 0.000 0.955 300 R CB -0.620 29.746 30.300 0.110 0.000 0.851 300 R HN 0.101 nan 8.270 nan 0.000 0.432 301 L N -0.414 120.847 121.223 0.062 0.000 2.275 301 L HA 0.080 4.419 4.340 -0.001 0.000 0.215 301 L C 2.110 179.011 176.870 0.053 0.000 1.119 301 L CA 1.927 56.798 54.840 0.052 0.000 0.790 301 L CB -0.857 41.224 42.059 0.036 0.000 0.919 301 L HN 0.379 nan 8.230 nan 0.000 0.443 302 G N -2.240 106.594 108.800 0.056 0.000 2.813 302 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.209 302 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.209 302 G C 1.110 176.054 174.900 0.073 0.000 1.150 302 G CA 0.356 45.490 45.100 0.055 0.000 0.785 302 G HN 0.366 nan 8.290 nan 0.000 0.535 303 M N -1.423 118.233 119.600 0.092 0.000 2.939 303 M HA -0.285 4.194 4.480 -0.001 0.000 0.194 303 M C 1.798 178.178 176.300 0.133 0.000 0.617 303 M CA 0.546 55.913 55.300 0.110 0.000 0.734 303 M CB -1.722 30.931 32.600 0.088 0.000 2.637 303 M HN 0.334 nan 8.290 nan 0.000 0.316 304 A N 0.601 123.498 122.820 0.129 0.000 1.898 304 A HA 0.166 4.486 4.320 -0.001 0.000 0.216 304 A C 1.055 178.763 177.584 0.207 0.000 1.181 304 A CA 0.878 53.002 52.037 0.145 0.000 0.620 304 A CB -0.038 19.034 19.000 0.121 0.000 0.819 304 A HN 0.484 nan 8.150 nan 0.000 0.442 305 L N 0.609 121.966 121.223 0.223 0.000 2.361 305 L HA 0.084 4.424 4.340 -0.001 0.000 0.278 305 L C 1.258 178.293 176.870 0.276 0.000 1.113 305 L CA -0.300 54.718 54.840 0.297 0.000 0.849 305 L CB 1.079 43.331 42.059 0.323 0.000 1.155 305 L HN 0.490 nan 8.230 nan 0.000 0.452 306 Q N 1.987 121.990 119.800 0.338 0.000 2.063 306 Q HA -0.038 4.301 4.340 -0.001 0.000 0.194 306 Q C 0.775 176.931 176.000 0.259 0.000 0.974 306 Q CA 0.773 56.772 55.803 0.326 0.000 0.827 306 Q CB 0.156 29.189 28.738 0.492 0.000 0.902 306 Q HN 0.773 nan 8.270 nan 0.000 0.462 307 N N -0.014 118.898 118.700 0.354 0.000 2.460 307 N HA 0.124 4.863 4.740 -0.001 0.000 0.296 307 N C -0.415 175.245 175.510 0.249 0.000 1.319 307 N CA -0.356 52.856 53.050 0.271 0.000 0.945 307 N CB 0.011 38.760 38.487 0.437 0.000 1.096 307 N HN -0.080 nan 8.380 nan 0.000 0.538 308 V N 0.666 120.728 119.914 0.247 0.000 2.347 308 V HA 0.431 4.551 4.120 -0.001 0.000 0.280 308 V C -2.246 174.013 176.094 0.275 0.000 1.021 308 V CA -1.392 61.046 62.300 0.230 0.000 0.847 308 V CB 0.932 32.869 31.823 0.190 0.000 0.990 308 V HN 0.637 nan 8.190 nan 0.000 0.444 309 P HA 0.363 nan 4.420 nan 0.000 0.286 309 P C -0.440 176.977 177.300 0.196 0.000 1.261 309 P CA -0.230 62.967 63.100 0.162 0.000 0.821 309 P CB 1.534 33.411 31.700 0.295 0.000 1.013 310 T N -0.320 114.261 114.554 0.046 0.000 2.795 310 T HA 0.584 4.934 4.350 -0.001 0.000 0.282 310 T C 0.306 175.196 174.700 0.316 0.000 0.980 310 T CA -0.774 61.392 62.100 0.111 0.000 1.012 310 T CB 0.396 69.183 68.868 -0.134 0.000 0.936 310 T HN 0.201 nan 8.240 nan 0.000 0.457 311 I N 3.540 124.338 120.570 0.379 0.000 2.347 311 I HA 0.319 4.488 4.170 -0.001 0.000 0.283 311 I C 0.668 177.057 176.117 0.452 0.000 1.058 311 I CA -0.797 60.749 61.300 0.410 0.000 1.202 311 I CB 0.521 38.604 38.000 0.138 0.000 1.386 311 I HN 0.463 nan 8.210 nan 0.000 0.475 312 R N 3.654 124.447 120.500 0.489 0.000 2.459 312 R HA 0.319 4.659 4.340 -0.001 0.000 0.281 312 R C 0.064 176.703 176.300 0.566 0.000 1.050 312 R CA -0.734 55.651 56.100 0.474 0.000 1.055 312 R CB 1.249 31.733 30.300 0.306 0.000 1.045 312 R HN 0.500 nan 8.270 nan 0.000 0.495 313 H N 3.873 123.127 119.070 0.305 0.000 2.548 313 H HA 0.015 4.571 4.556 -0.001 0.000 0.331 313 H C 1.286 176.480 175.328 -0.223 0.000 1.093 313 H CA -0.266 55.650 56.048 -0.221 0.000 1.367 313 H CB 1.053 30.774 29.762 -0.068 0.000 1.455 313 H HN 0.515 nan 8.280 nan 0.000 0.519 314 I N 5.258 125.425 120.570 -0.671 0.000 2.147 314 I HA -0.349 3.821 4.170 -0.001 0.000 0.245 314 I C 2.144 178.084 176.117 -0.294 0.000 1.059 314 I CA 1.397 62.446 61.300 -0.418 0.000 1.320 314 I CB -0.624 37.068 38.000 -0.513 0.000 1.021 314 I HN 0.739 nan 8.210 nan 0.000 0.415 315 L N -0.451 120.620 121.223 -0.253 0.000 2.187 315 L HA -0.248 4.091 4.340 -0.001 0.000 0.213 315 L C 2.442 179.024 176.870 -0.479 0.000 1.100 315 L CA 0.666 55.278 54.840 -0.381 0.000 0.765 315 L CB -0.605 41.245 42.059 -0.348 0.000 0.904 315 L HN 0.305 nan 8.230 nan 0.000 0.437 316 L N -0.150 120.865 121.223 -0.348 0.000 2.005 316 L HA -0.203 4.136 4.340 -0.001 0.000 0.207 316 L C 2.076 178.767 176.870 -0.299 0.000 1.072 316 L CA 1.903 56.449 54.840 -0.490 0.000 0.744 316 L CB -0.662 41.147 42.059 -0.417 0.000 0.895 316 L HN 0.186 nan 8.230 nan 0.000 0.433 317 D N -0.146 120.150 120.400 -0.173 0.000 2.097 317 D HA -0.162 4.477 4.640 -0.001 0.000 0.195 317 D C 2.194 178.456 176.300 -0.062 0.000 0.989 317 D CA 1.594 55.550 54.000 -0.074 0.000 0.827 317 D CB -0.323 40.472 40.800 -0.009 0.000 0.966 317 D HN 0.463 nan 8.370 nan 0.000 0.456 318 A N 1.188 123.916 122.820 -0.153 0.000 1.883 318 A HA -0.112 4.208 4.320 -0.001 0.000 0.217 318 A C 2.317 179.857 177.584 -0.075 0.000 1.186 318 A CA 2.562 54.506 52.037 -0.155 0.000 0.624 318 A CB -0.870 17.867 19.000 -0.438 0.000 0.822 318 A HN 0.250 nan 8.150 nan 0.000 0.444 319 A N -0.797 121.845 122.820 -0.296 0.000 2.067 319 A HA 0.092 4.411 4.320 -0.001 0.000 0.219 319 A C 2.118 179.819 177.584 0.194 0.000 1.158 319 A CA 1.554 53.537 52.037 -0.091 0.000 0.661 319 A CB -0.683 18.021 19.000 -0.494 0.000 0.801 319 A HN 0.388 nan 8.150 nan 0.000 0.452 320 V N 0.061 120.058 119.914 0.138 0.000 2.427 320 V HA -0.212 3.908 4.120 -0.001 0.000 0.248 320 V C 2.423 178.628 176.094 0.184 0.000 1.051 320 V CA 1.746 64.167 62.300 0.202 0.000 1.048 320 V CB -0.678 31.236 31.823 0.152 0.000 0.666 320 V HN 0.599 nan 8.190 nan 0.000 0.456 321 L N -0.352 120.992 121.223 0.202 0.000 2.156 321 L HA 0.257 4.596 4.340 -0.001 0.000 0.208 321 L C 1.086 178.127 176.870 0.284 0.000 1.095 321 L CA 1.152 56.128 54.840 0.227 0.000 0.770 321 L CB -0.508 41.696 42.059 0.242 0.000 0.914 321 L HN 0.499 nan 8.230 nan 0.000 0.439 322 G N -0.846 108.242 108.800 0.480 0.000 2.601 322 G HA2 0.298 4.257 3.960 -0.001 0.000 0.291 322 G HA3 0.298 4.257 3.960 -0.001 0.000 0.291 322 G C -1.727 173.587 174.900 0.690 0.000 1.456 322 G CA -0.567 44.801 45.100 0.446 0.000 0.804 322 G HN -0.010 nan 8.290 nan 0.000 0.499 323 D N -0.068 120.556 120.400 0.373 0.000 2.372 323 D HA 0.081 4.721 4.640 -0.001 0.000 0.243 323 D C 1.286 177.535 176.300 -0.086 0.000 1.297 323 D CA -0.418 53.740 54.000 0.264 0.000 0.958 323 D CB 1.273 42.090 40.800 0.028 0.000 1.114 323 D HN 0.500 nan 8.370 nan 0.000 0.496 324 K N -0.212 119.533 120.400 -1.092 0.000 2.025 324 K HA -0.194 4.125 4.320 -0.001 0.000 0.207 324 K C 2.278 178.503 176.600 -0.625 0.000 1.049 324 K CA 0.910 55.965 56.287 -2.052 0.000 0.933 324 K CB -0.082 31.155 32.500 -2.105 0.000 0.714 324 K HN 0.417 nan 8.250 nan 0.000 0.438 325 R N 0.917 121.181 120.500 -0.395 0.000 2.133 325 R HA -0.123 4.216 4.340 -0.001 0.000 0.247 325 R C 1.553 177.795 176.300 -0.097 0.000 1.151 325 R CA 2.072 58.058 56.100 -0.189 0.000 0.971 325 R CB -0.415 29.794 30.300 -0.153 0.000 0.866 325 R HN 0.279 nan 8.270 nan 0.000 0.447 326 S N -1.267 114.383 115.700 -0.084 0.000 2.954 326 S HA -0.022 4.448 4.470 -0.001 0.000 0.234 326 S C 0.103 174.578 174.600 -0.209 0.000 0.978 326 S CA 0.037 58.146 58.200 -0.152 0.000 1.045 326 S CB -0.083 62.968 63.200 -0.249 0.000 0.807 326 S HN 0.553 nan 8.310 nan 0.000 0.508 327 Y N -0.644 119.631 120.300 -0.041 0.000 2.633 327 Y HA 0.394 4.943 4.550 -0.001 0.000 0.298 327 Y C 0.448 176.346 175.900 -0.003 0.000 0.951 327 Y CA -0.352 57.758 58.100 0.016 0.000 1.079 327 Y CB 0.589 39.114 38.460 0.107 0.000 1.430 327 Y HN 0.412 nan 8.280 nan 0.000 0.590 328 S N -0.166 115.588 115.700 0.090 0.000 2.546 328 S HA 0.276 4.746 4.470 -0.001 0.000 0.303 328 S C -0.796 173.787 174.600 -0.029 0.000 1.067 328 S CA -0.503 57.716 58.200 0.032 0.000 0.944 328 S CB 0.398 63.628 63.200 0.049 0.000 1.155 328 S HN 0.019 nan 8.310 nan 0.000 0.449 329 S N 3.946 119.632 115.700 -0.024 0.000 2.849 329 S HA 0.248 4.717 4.470 -0.001 0.000 0.244 329 S C 0.219 174.801 174.600 -0.029 0.000 1.297 329 S CA -0.416 57.762 58.200 -0.038 0.000 1.241 329 S CB -0.537 62.646 63.200 -0.030 0.000 0.958 329 S HN 0.612 nan 8.310 nan 0.000 0.489 330 R N 0.049 120.530 120.500 -0.031 0.000 2.534 330 R HA 0.381 4.721 4.340 -0.001 0.000 0.301 330 R C 0.510 176.796 176.300 -0.025 0.000 0.961 330 R CA -0.380 55.709 56.100 -0.017 0.000 0.871 330 R CB 0.820 31.120 30.300 0.000 0.000 1.170 330 R HN 0.030 nan 8.270 nan 0.000 0.446 331 T N 1.833 116.378 114.554 -0.015 0.000 2.701 331 T HA -0.058 4.292 4.350 -0.001 0.000 0.263 331 T C 0.227 174.931 174.700 0.008 0.000 1.040 331 T CA 1.014 63.107 62.100 -0.011 0.000 1.147 331 T CB -0.051 68.814 68.868 -0.005 0.000 0.865 331 T HN 0.555 nan 8.240 nan 0.000 0.426 332 E N 1.197 121.407 120.200 0.017 0.000 2.451 332 E HA 0.067 4.417 4.350 -0.001 0.000 0.256 332 E C -2.371 174.263 176.600 0.057 0.000 1.294 332 E CA -1.250 55.170 56.400 0.035 0.000 1.005 332 E CB -0.156 29.562 29.700 0.031 0.000 0.990 332 E HN 0.105 nan 8.360 nan 0.000 0.505 333 P HA 0.004 nan 4.420 nan 0.000 0.269 333 P C -0.474 176.881 177.300 0.093 0.000 1.209 333 P CA 0.543 63.705 63.100 0.103 0.000 0.776 333 P CB 0.356 32.114 31.700 0.096 0.000 0.876 334 L N 1.282 122.577 121.223 0.120 0.000 2.417 334 L HA 0.176 4.515 4.340 -0.001 0.000 0.268 334 L C 1.333 178.252 176.870 0.082 0.000 1.158 334 L CA -0.366 54.535 54.840 0.102 0.000 0.819 334 L CB 0.153 42.293 42.059 0.134 0.000 1.112 334 L HN 0.440 nan 8.230 nan 0.000 0.458 335 S N -0.347 115.390 115.700 0.061 0.000 2.580 335 S HA -0.071 4.399 4.470 -0.001 0.000 0.266 335 S C 0.743 175.370 174.600 0.045 0.000 1.354 335 S CA -0.431 57.797 58.200 0.047 0.000 1.008 335 S CB 0.937 64.159 63.200 0.037 0.000 0.898 335 S HN 0.792 nan 8.310 nan 0.000 0.555 336 D N 0.182 120.603 120.400 0.034 0.000 2.269 336 D HA -0.081 4.559 4.640 -0.001 0.000 0.208 336 D C 1.266 177.573 176.300 0.011 0.000 0.963 336 D CA 0.864 54.878 54.000 0.024 0.000 0.864 336 D CB -0.020 40.793 40.800 0.021 0.000 0.936 336 D HN 0.656 nan 8.370 nan 0.000 0.505 337 E N 0.660 120.870 120.200 0.016 0.000 2.158 337 E HA -0.055 4.295 4.350 -0.001 0.000 0.191 337 E C 1.928 178.537 176.600 0.015 0.000 0.982 337 E CA 0.565 56.972 56.400 0.012 0.000 0.823 337 E CB -0.103 29.605 29.700 0.014 0.000 0.766 337 E HN 0.400 nan 8.360 nan 0.000 0.468 338 E N 0.194 120.411 120.200 0.027 0.000 2.204 338 E HA -0.146 4.204 4.350 -0.001 0.000 0.195 338 E C 1.797 178.412 176.600 0.025 0.000 0.990 338 E CA 0.658 57.081 56.400 0.039 0.000 0.821 338 E CB -0.067 29.668 29.700 0.059 0.000 0.750 338 E HN 0.248 nan 8.360 nan 0.000 0.477 339 L N 0.910 122.133 121.223 -0.000 0.000 2.005 339 L HA -0.186 4.153 4.340 -0.001 0.000 0.207 339 L C 1.961 178.792 176.870 -0.065 0.000 1.072 339 L CA 0.957 55.765 54.840 -0.053 0.000 0.744 339 L CB -0.556 41.450 42.059 -0.089 0.000 0.895 339 L HN 0.037 nan 8.230 nan 0.000 0.433 340 D N 0.717 121.087 120.400 -0.049 0.000 2.133 340 D HA -0.193 4.447 4.640 -0.001 0.000 0.195 340 D C 2.164 178.453 176.300 -0.018 0.000 0.997 340 D CA 1.353 55.328 54.000 -0.042 0.000 0.840 340 D CB -0.175 40.610 40.800 -0.025 0.000 0.947 340 D HN 0.305 nan 8.370 nan 0.000 0.452 341 K N 0.225 120.628 120.400 0.004 0.000 2.026 341 K HA -0.073 4.246 4.320 -0.001 0.000 0.208 341 K C 2.379 178.997 176.600 0.030 0.000 1.048 341 K CA 0.682 56.983 56.287 0.024 0.000 0.929 341 K CB -0.141 32.386 32.500 0.046 0.000 0.713 341 K HN 0.168 nan 8.250 nan 0.000 0.439 342 I N 1.145 121.731 120.570 0.026 0.000 2.127 342 I HA -0.335 3.834 4.170 -0.001 0.000 0.241 342 I C 2.558 178.671 176.117 -0.007 0.000 1.075 342 I CA 1.257 62.574 61.300 0.029 0.000 1.334 342 I CB -0.593 37.405 38.000 -0.003 0.000 1.040 342 I HN 0.196 nan 8.210 nan 0.000 0.405 343 A N 0.937 123.722 122.820 -0.059 0.000 1.915 343 A HA -0.303 4.017 4.320 -0.001 0.000 0.220 343 A C 2.327 179.891 177.584 -0.034 0.000 1.198 343 A CA 2.213 54.202 52.037 -0.079 0.000 0.647 343 A CB -0.614 18.326 19.000 -0.099 0.000 0.825 343 A HN 0.392 nan 8.150 nan 0.000 0.456 344 K N -0.811 119.581 120.400 -0.012 0.000 2.001 344 K HA -0.162 4.157 4.320 -0.001 0.000 0.208 344 K C 2.310 178.925 176.600 0.025 0.000 1.048 344 K CA 1.548 57.840 56.287 0.008 0.000 0.932 344 K CB -0.283 32.224 32.500 0.012 0.000 0.715 344 K HN 0.658 nan 8.250 nan 0.000 0.437 345 Q N 0.316 120.142 119.800 0.044 0.000 2.248 345 Q HA -0.183 4.157 4.340 -0.001 0.000 0.208 345 Q C 1.663 177.698 176.000 0.059 0.000 0.984 345 Q CA 1.122 56.962 55.803 0.062 0.000 0.875 345 Q CB -0.092 28.710 28.738 0.106 0.000 0.910 345 Q HN 0.165 nan 8.270 nan 0.000 0.433 346 L N -0.164 121.090 121.223 0.051 0.000 2.354 346 L HA 0.067 4.406 4.340 -0.001 0.000 0.212 346 L C 0.427 177.296 176.870 -0.003 0.000 1.091 346 L CA 0.667 55.527 54.840 0.033 0.000 0.828 346 L CB -0.039 42.044 42.059 0.040 0.000 0.973 346 L HN 0.177 nan 8.230 nan 0.000 0.461 347 N N -1.641 117.055 118.700 -0.007 0.000 2.994 347 N HA -0.160 4.580 4.740 -0.001 0.000 0.221 347 N C 0.122 175.586 175.510 -0.077 0.000 0.900 347 N CA 0.611 53.654 53.050 -0.012 0.000 1.008 347 N CB -1.347 37.152 38.487 0.021 0.000 1.053 347 N HN 0.191 nan 8.380 nan 0.000 0.580 348 L N 0.449 121.620 121.223 -0.086 0.000 2.479 348 L HA 0.539 4.878 4.340 -0.001 0.000 0.249 348 L C 1.747 178.556 176.870 -0.102 0.000 1.178 348 L CA 0.056 54.820 54.840 -0.126 0.000 0.811 348 L CB 0.315 42.309 42.059 -0.110 0.000 1.187 348 L HN 0.137 nan 8.230 nan 0.000 0.480 349 G N -0.757 107.973 108.800 -0.117 0.000 2.557 349 G HA2 0.238 4.198 3.960 -0.001 0.000 0.302 349 G HA3 0.238 4.198 3.960 -0.001 0.000 0.302 349 G C 0.410 175.209 174.900 -0.167 0.000 1.311 349 G CA -0.377 44.667 45.100 -0.092 0.000 1.030 349 G HN 0.453 nan 8.290 nan 0.000 0.509 350 R N -1.096 119.286 120.500 -0.197 0.000 2.075 350 R HA 0.094 4.434 4.340 -0.001 0.000 0.220 350 R C -0.090 175.788 176.300 -0.705 0.000 1.118 350 R CA 0.339 56.172 56.100 -0.446 0.000 0.986 350 R CB -0.137 29.932 30.300 -0.385 0.000 0.884 350 R HN 0.558 nan 8.270 nan 0.000 0.439 351 W N 0.765 121.982 121.300 -0.138 0.000 2.570 351 W HA 0.372 5.031 4.660 -0.001 0.000 0.337 351 W C -0.587 175.897 176.519 -0.059 0.000 1.067 351 W CA -0.852 56.438 57.345 -0.091 0.000 1.229 351 W CB 1.128 30.542 29.460 -0.078 0.000 1.355 351 W HN -0.007 nan 8.180 nan 0.000 0.555 352 N N 2.555 121.474 118.700 0.366 0.000 2.549 352 N HA 0.170 4.909 4.740 -0.001 0.000 0.290 352 N C -1.772 173.828 175.510 0.150 0.000 1.122 352 N CA -0.730 52.395 53.050 0.125 0.000 0.885 352 N CB 1.328 39.823 38.487 0.014 0.000 1.455 352 N HN 0.236 nan 8.380 nan 0.000 0.521 353 F N 3.851 123.718 119.950 -0.138 0.000 2.404 353 F HA 0.364 4.890 4.527 -0.001 0.000 0.359 353 F C -0.960 174.687 175.800 -0.255 0.000 1.134 353 F CA -0.462 57.469 58.000 -0.115 0.000 1.160 353 F CB -0.062 38.880 39.000 -0.096 0.000 1.186 353 F HN 0.375 nan 8.300 nan 0.000 0.526 354 Y N 4.123 124.063 120.300 -0.599 0.000 2.323 354 Y HA 0.672 5.222 4.550 -0.001 0.000 0.331 354 Y C 0.741 176.067 175.900 -0.957 0.000 1.092 354 Y CA -0.309 57.375 58.100 -0.694 0.000 1.150 354 Y CB 1.486 39.708 38.460 -0.397 0.000 1.200 354 Y HN 0.715 nan 8.280 nan 0.000 0.472 355 G N 0.044 108.271 108.800 -0.954 0.000 2.682 355 G HA2 0.816 4.776 3.960 -0.001 0.000 0.303 355 G HA3 0.816 4.776 3.960 -0.001 0.000 0.303 355 G C -1.943 172.624 174.900 -0.556 0.000 1.341 355 G CA -0.492 44.212 45.100 -0.659 0.000 0.784 355 G HN 0.849 nan 8.290 nan 0.000 0.497 356 A N -1.033 121.769 122.820 -0.029 0.000 2.605 356 A HA 0.715 5.034 4.320 -0.001 0.000 0.294 356 A C -1.471 176.087 177.584 -0.044 0.000 1.062 356 A CA -0.554 51.452 52.037 -0.052 0.000 0.682 356 A CB 0.957 19.937 19.000 -0.033 0.000 1.278 356 A HN 0.860 nan 8.150 nan 0.000 0.410 357 L N 1.002 122.087 121.223 -0.230 0.000 2.322 357 L HA 0.632 4.971 4.340 -0.001 0.000 0.279 357 L C -1.339 175.289 176.870 -0.404 0.000 1.036 357 L CA -0.564 54.189 54.840 -0.145 0.000 0.807 357 L CB 1.218 43.232 42.059 -0.074 0.000 1.226 357 L HN 0.722 nan 8.230 nan 0.000 0.433 358 Y N 1.095 121.502 120.300 0.179 0.000 2.346 358 Y HA 0.737 5.286 4.550 -0.001 0.000 0.332 358 Y C 0.573 176.516 175.900 0.072 0.000 0.985 358 Y CA -0.531 57.657 58.100 0.146 0.000 1.112 358 Y CB 2.153 40.700 38.460 0.145 0.000 1.170 358 Y HN 0.760 nan 8.280 nan 0.000 0.447 359 G N 3.142 112.039 108.800 0.161 0.000 2.334 359 G HA2 0.030 3.990 3.960 -0.001 0.000 0.315 359 G HA3 0.030 3.990 3.960 -0.001 0.000 0.315 359 G C -3.384 171.538 174.900 0.037 0.000 1.284 359 G CA -1.433 43.716 45.100 0.081 0.000 0.985 359 G HN 0.278 nan 8.290 nan 0.000 0.504 360 P HA 0.179 nan 4.420 nan 0.000 0.268 360 P C 0.738 178.042 177.300 0.007 0.000 1.205 360 P CA 0.369 63.473 63.100 0.006 0.000 0.771 360 P CB 1.210 32.914 31.700 0.006 0.000 0.858 361 E N 4.491 124.687 120.200 -0.008 0.000 2.130 361 E HA -0.195 4.155 4.350 -0.001 0.000 0.196 361 E C -0.950 175.649 176.600 -0.002 0.000 0.998 361 E CA 1.823 58.212 56.400 -0.018 0.000 0.806 361 E CB -1.433 28.245 29.700 -0.036 0.000 0.738 361 E HN 0.324 nan 8.360 nan 0.000 0.459 362 P HA -0.140 nan 4.420 nan 0.000 0.216 362 P C 1.261 178.576 177.300 0.025 0.000 1.150 362 P CA 1.185 64.293 63.100 0.012 0.000 0.837 362 P CB -0.067 31.638 31.700 0.009 0.000 0.786 363 I N -0.762 119.825 120.570 0.029 0.000 2.113 363 I HA -0.262 3.908 4.170 -0.001 0.000 0.238 363 I C 2.612 178.769 176.117 0.067 0.000 1.070 363 I CA 1.653 62.982 61.300 0.048 0.000 1.332 363 I CB -0.389 37.641 38.000 0.051 0.000 1.044 363 I HN -0.116 nan 8.210 nan 0.000 0.402 364 R N 0.089 120.622 120.500 0.055 0.000 2.081 364 R HA -0.188 4.151 4.340 -0.001 0.000 0.235 364 R C 2.428 178.791 176.300 0.105 0.000 1.131 364 R CA 1.316 57.456 56.100 0.066 0.000 0.960 364 R CB -0.388 29.905 30.300 -0.011 0.000 0.856 364 R HN 0.299 nan 8.270 nan 0.000 0.436 365 R N 0.740 121.282 120.500 0.070 0.000 2.132 365 R HA -0.201 4.138 4.340 -0.001 0.000 0.233 365 R C 2.012 178.389 176.300 0.128 0.000 1.125 365 R CA 2.383 58.541 56.100 0.096 0.000 0.914 365 R CB -0.566 29.762 30.300 0.046 0.000 0.845 365 R HN 0.082 nan 8.270 nan 0.000 0.431 366 V N 1.677 121.641 119.914 0.083 0.000 2.392 366 V HA -0.269 3.851 4.120 -0.001 0.000 0.249 366 V C 2.520 178.661 176.094 0.079 0.000 1.059 366 V CA 1.857 64.196 62.300 0.065 0.000 1.051 366 V CB -0.539 31.316 31.823 0.054 0.000 0.658 366 V HN 0.353 nan 8.190 nan 0.000 0.455 367 L N -1.047 120.248 121.223 0.119 0.000 1.970 367 L HA -0.241 4.099 4.340 -0.001 0.000 0.212 367 L C 2.473 179.432 176.870 0.148 0.000 1.071 367 L CA 2.434 57.358 54.840 0.139 0.000 0.751 367 L CB -0.655 41.513 42.059 0.182 0.000 0.889 367 L HN 0.539 nan 8.230 nan 0.000 0.432 368 W N 1.257 122.539 121.300 -0.031 0.000 2.342 368 W HA -0.204 4.455 4.660 -0.001 0.000 0.297 368 W C 2.292 178.748 176.519 -0.106 0.000 1.213 368 W CA 1.367 58.656 57.345 -0.093 0.000 1.251 368 W CB 0.055 29.463 29.460 -0.086 0.000 1.136 368 W HN 0.246 nan 8.180 nan 0.000 0.526 369 E N -0.213 119.972 120.200 -0.025 0.000 2.077 369 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 369 E C 2.038 178.512 176.600 -0.211 0.000 0.989 369 E CA 1.910 58.213 56.400 -0.162 0.000 0.800 369 E CB -0.877 28.794 29.700 -0.048 0.000 0.746 369 E HN 0.180 nan 8.360 nan 0.000 0.452 370 T N 1.646 116.139 114.554 -0.102 0.000 2.720 370 T HA -0.125 4.225 4.350 -0.001 0.000 0.268 370 T C 2.103 176.731 174.700 -0.119 0.000 1.037 370 T CA 1.164 63.213 62.100 -0.085 0.000 1.144 370 T CB -0.187 68.675 68.868 -0.010 0.000 0.864 370 T HN 0.104 nan 8.240 nan 0.000 0.444 371 I N 0.581 121.052 120.570 -0.163 0.000 2.162 371 I HA -0.122 4.047 4.170 -0.001 0.000 0.238 371 I C 2.553 178.550 176.117 -0.200 0.000 1.076 371 I CA 1.236 62.481 61.300 -0.091 0.000 1.353 371 I CB -0.412 37.551 38.000 -0.062 0.000 1.063 371 I HN 0.160 nan 8.210 nan 0.000 0.408 372 K N 1.354 121.277 120.400 -0.796 0.000 2.032 372 K HA -0.346 3.973 4.320 -0.001 0.000 0.218 372 K C 2.013 178.322 176.600 -0.485 0.000 1.054 372 K CA 2.537 58.150 56.287 -1.124 0.000 0.941 372 K CB -0.480 30.884 32.500 -1.892 0.000 0.720 372 K HN 0.450 nan 8.250 nan 0.000 0.449 373 D N -0.263 119.904 120.400 -0.388 0.000 2.190 373 D HA -0.202 4.437 4.640 -0.001 0.000 0.200 373 D C 1.590 177.843 176.300 -0.077 0.000 0.992 373 D CA 1.501 55.387 54.000 -0.190 0.000 0.854 373 D CB 0.039 40.743 40.800 -0.161 0.000 0.936 373 D HN 0.414 nan 8.370 nan 0.000 0.462 374 A N 0.136 122.924 122.820 -0.053 0.000 1.874 374 A HA -0.020 4.300 4.320 -0.001 0.000 0.214 374 A C 1.957 179.518 177.584 -0.039 0.000 1.189 374 A CA 0.553 52.559 52.037 -0.052 0.000 0.615 374 A CB -1.117 17.847 19.000 -0.060 0.000 0.830 374 A HN 0.236 nan 8.150 nan 0.000 0.443 375 F N 1.494 121.448 119.950 0.007 0.000 2.583 375 F HA -0.092 4.434 4.527 -0.001 0.000 0.297 375 F C 2.483 178.327 175.800 0.073 0.000 1.131 375 F CA 1.026 59.055 58.000 0.048 0.000 1.467 375 F CB -0.283 38.787 39.000 0.117 0.000 1.097 375 F HN 0.131 nan 8.300 nan 0.000 0.586 376 S N 0.159 115.993 115.700 0.223 0.000 2.383 376 S HA -0.268 4.202 4.470 -0.001 0.000 0.229 376 S C 2.440 177.073 174.600 0.054 0.000 1.030 376 S CA 1.087 59.380 58.200 0.154 0.000 1.002 376 S CB -0.650 62.607 63.200 0.094 0.000 0.829 376 S HN 0.433 nan 8.310 nan 0.000 0.467 377 A N 0.724 123.541 122.820 -0.006 0.000 2.139 377 A HA 0.005 4.325 4.320 -0.001 0.000 0.221 377 A C 0.905 178.471 177.584 -0.030 0.000 1.159 377 A CA 0.832 52.850 52.037 -0.033 0.000 0.662 377 A CB -0.637 18.322 19.000 -0.070 0.000 0.796 377 A HN 0.499 nan 8.150 nan 0.000 0.463 378 I N 0.815 121.373 120.570 -0.019 0.000 2.312 378 I HA 0.206 4.376 4.170 -0.001 0.000 0.291 378 I C -2.417 173.702 176.117 0.003 0.000 1.031 378 I CA -2.272 59.021 61.300 -0.012 0.000 1.293 378 I CB 1.453 39.453 38.000 -0.000 0.000 1.403 378 I HN -0.037 nan 8.210 nan 0.000 0.484 379 P HA 0.055 nan 4.420 nan 0.000 0.269 379 P C 0.860 178.156 177.300 -0.005 0.000 1.209 379 P CA 0.460 63.560 63.100 -0.000 0.000 0.776 379 P CB 0.724 32.423 31.700 -0.001 0.000 0.876 380 G N 1.017 109.813 108.800 -0.006 0.000 2.200 380 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.268 380 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.268 380 G C 0.453 175.328 174.900 -0.043 0.000 0.986 380 G CA 0.207 45.298 45.100 -0.014 0.000 0.677 380 G HN 0.620 nan 8.290 nan 0.000 0.532 381 V N -0.022 119.853 119.914 -0.066 0.000 3.032 381 V HA 0.478 4.597 4.120 -0.001 0.000 0.307 381 V C 0.575 176.492 176.094 -0.294 0.000 1.097 381 V CA 0.748 62.940 62.300 -0.180 0.000 1.191 381 V CB 1.095 32.819 31.823 -0.165 0.000 0.964 381 V HN 0.377 nan 8.190 nan 0.000 0.494 382 K N 4.987 125.101 120.400 -0.478 0.000 2.571 382 K HA 0.382 4.702 4.320 -0.001 0.000 0.252 382 K C -1.722 174.628 176.600 -0.417 0.000 0.956 382 K CA -0.384 55.679 56.287 -0.373 0.000 0.822 382 K CB 1.750 34.225 32.500 -0.042 0.000 1.286 382 K HN 0.482 nan 8.250 nan 0.000 0.439 383 F N 2.151 122.027 119.950 -0.123 0.000 2.397 383 F HA 0.573 5.100 4.527 -0.001 0.000 0.331 383 F C -0.252 175.433 175.800 -0.191 0.000 1.090 383 F CA -0.447 57.545 58.000 -0.013 0.000 1.065 383 F CB 0.740 39.757 39.000 0.029 0.000 1.184 383 F HN 0.306 nan 8.300 nan 0.000 0.499 384 Y N 0.464 120.725 120.300 -0.065 0.000 2.565 384 Y HA 0.474 5.023 4.550 -0.001 0.000 0.330 384 Y C -1.270 174.355 175.900 -0.458 0.000 1.150 384 Y CA -1.894 56.009 58.100 -0.329 0.000 1.055 384 Y CB 0.860 39.245 38.460 -0.125 0.000 1.337 384 Y HN 0.294 nan 8.280 nan 0.000 0.457 385 F N 2.306 122.357 119.950 0.169 0.000 2.399 385 F HA 0.514 5.041 4.527 -0.001 0.000 0.328 385 F C -1.480 174.360 175.800 0.066 0.000 1.084 385 F CA -2.737 55.283 58.000 0.034 0.000 1.053 385 F CB 0.713 39.668 39.000 -0.076 0.000 1.209 385 F HN 0.223 nan 8.300 nan 0.000 0.502 386 P HA -0.245 nan 4.420 nan 0.000 0.219 386 P C 1.103 178.475 177.300 0.120 0.000 1.158 386 P CA 2.252 65.430 63.100 0.129 0.000 0.895 386 P CB 0.103 31.856 31.700 0.088 0.000 0.792 387 E N -0.498 119.779 120.200 0.128 0.000 2.086 387 E HA -0.209 4.140 4.350 -0.001 0.000 0.200 387 E C 0.929 177.597 176.600 0.113 0.000 1.012 387 E CA 1.476 57.937 56.400 0.102 0.000 0.812 387 E CB -0.864 28.903 29.700 0.113 0.000 0.743 387 E HN 0.355 nan 8.360 nan 0.000 0.453 388 D N 0.676 121.170 120.400 0.156 0.000 2.396 388 D HA -0.011 4.629 4.640 -0.001 0.000 0.255 388 D C 0.051 176.455 176.300 0.173 0.000 1.224 388 D CA 0.729 54.824 54.000 0.159 0.000 0.894 388 D CB -0.304 40.606 40.800 0.184 0.000 0.939 388 D HN 0.194 nan 8.370 nan 0.000 0.506 389 T N -3.932 110.695 114.554 0.120 0.000 2.889 389 T HA 0.469 4.819 4.350 -0.001 0.000 0.315 389 T C -3.143 171.593 174.700 0.060 0.000 1.291 389 T CA -2.167 59.987 62.100 0.090 0.000 1.028 389 T CB 2.121 71.022 68.868 0.054 0.000 1.235 389 T HN -0.378 nan 8.240 nan 0.000 0.491 390 P HA 0.108 nan 4.420 nan 0.000 0.263 390 P C 0.161 177.483 177.300 0.037 0.000 1.175 390 P CA 0.155 63.279 63.100 0.039 0.000 0.761 390 P CB 0.151 31.871 31.700 0.034 0.000 0.794 391 E N 2.329 122.550 120.200 0.035 0.000 2.381 391 E HA -0.105 4.244 4.350 -0.001 0.000 0.198 391 E C 0.607 177.225 176.600 0.030 0.000 1.204 391 E CA 0.247 56.666 56.400 0.032 0.000 0.998 391 E CB -0.604 29.114 29.700 0.029 0.000 1.080 391 E HN 0.467 nan 8.360 nan 0.000 0.481 392 N N -1.527 117.192 118.700 0.032 0.000 1.938 392 N HA -0.097 4.642 4.740 -0.001 0.000 0.225 392 N C 0.031 175.562 175.510 0.036 0.000 1.400 392 N CA -0.090 52.980 53.050 0.033 0.000 0.772 392 N CB -0.240 38.269 38.487 0.036 0.000 1.124 392 N HN 0.016 nan 8.380 nan 0.000 0.513 393 S N 0.030 115.751 115.700 0.035 0.000 2.558 393 S HA 0.171 4.641 4.470 -0.001 0.000 0.288 393 S C 1.428 176.052 174.600 0.039 0.000 1.318 393 S CA -0.360 57.861 58.200 0.036 0.000 1.056 393 S CB 1.223 64.439 63.200 0.027 0.000 0.853 393 S HN -0.013 nan 8.310 nan 0.000 0.505 394 V N 3.365 123.307 119.914 0.047 0.000 2.626 394 V HA -0.111 4.008 4.120 -0.001 0.000 0.252 394 V C 2.230 178.355 176.094 0.052 0.000 1.067 394 V CA 1.569 63.877 62.300 0.014 0.000 1.081 394 V CB -0.942 30.877 31.823 -0.007 0.000 0.686 394 V HN 0.877 nan 8.190 nan 0.000 0.468 395 L N -0.019 121.298 121.223 0.157 0.000 2.201 395 L HA -0.095 4.244 4.340 -0.001 0.000 0.212 395 L C 2.527 179.445 176.870 0.080 0.000 1.105 395 L CA 1.757 56.705 54.840 0.180 0.000 0.775 395 L CB -0.572 41.541 42.059 0.091 0.000 0.913 395 L HN 0.201 nan 8.230 nan 0.000 0.440 396 R N -1.378 119.154 120.500 0.054 0.000 2.073 396 R HA -0.109 4.230 4.340 -0.001 0.000 0.234 396 R C 2.086 178.396 176.300 0.018 0.000 1.134 396 R CA 1.674 57.797 56.100 0.038 0.000 0.952 396 R CB -0.671 29.649 30.300 0.032 0.000 0.850 396 R HN 0.295 nan 8.270 nan 0.000 0.433 397 V N 1.270 121.181 119.914 -0.006 0.000 2.295 397 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 397 V C 2.190 178.255 176.094 -0.049 0.000 1.049 397 V CA 1.739 64.016 62.300 -0.037 0.000 1.024 397 V CB -0.579 31.211 31.823 -0.056 0.000 0.648 397 V HN 0.322 nan 8.190 nan 0.000 0.447 398 R N 0.321 120.779 120.500 -0.070 0.000 2.249 398 R HA -0.171 4.169 4.340 -0.001 0.000 0.230 398 R C 2.082 178.404 176.300 0.037 0.000 1.121 398 R CA 1.345 57.403 56.100 -0.071 0.000 0.997 398 R CB -0.548 29.627 30.300 -0.208 0.000 0.867 398 R HN 0.662 nan 8.270 nan 0.000 0.465 399 D N 1.578 122.024 120.400 0.075 0.000 2.097 399 D HA -0.167 4.472 4.640 -0.001 0.000 0.197 399 D C 1.292 177.725 176.300 0.221 0.000 0.984 399 D CA 1.242 55.358 54.000 0.194 0.000 0.826 399 D CB 0.247 41.125 40.800 0.129 0.000 0.973 399 D HN 0.192 nan 8.370 nan 0.000 0.460 400 K N -0.054 120.382 120.400 0.060 0.000 2.026 400 K HA -0.093 4.227 4.320 -0.001 0.000 0.208 400 K C 2.355 178.900 176.600 -0.092 0.000 1.048 400 K CA 1.460 57.713 56.287 -0.056 0.000 0.929 400 K CB -0.387 32.061 32.500 -0.087 0.000 0.713 400 K HN 0.081 nan 8.250 nan 0.000 0.439 401 T N 1.900 116.428 114.554 -0.043 0.000 2.624 401 T HA -0.176 4.174 4.350 -0.001 0.000 0.268 401 T C 1.656 176.389 174.700 0.055 0.000 1.041 401 T CA 1.652 63.740 62.100 -0.020 0.000 1.159 401 T CB -0.180 68.671 68.868 -0.030 0.000 0.863 401 T HN 0.220 nan 8.240 nan 0.000 0.434 402 M N 1.593 121.276 119.600 0.138 0.000 2.740 402 M HA 0.009 4.489 4.480 -0.001 0.000 0.230 402 M C 1.362 177.762 176.300 0.167 0.000 1.100 402 M CA 0.783 56.244 55.300 0.268 0.000 1.047 402 M CB -0.162 32.665 32.600 0.378 0.000 1.652 402 M HN 0.439 nan 8.290 nan 0.000 0.528 403 Q N -1.416 118.301 119.800 -0.140 0.000 2.084 403 Q HA 0.370 4.710 4.340 -0.001 0.000 0.230 403 Q C 0.649 176.339 176.000 -0.517 0.000 0.806 403 Q CA 0.241 55.763 55.803 -0.469 0.000 1.083 403 Q CB 0.642 28.737 28.738 -1.071 0.000 1.208 403 Q HN 0.365 nan 8.270 nan 0.000 0.462 404 G N 1.507 110.176 108.800 -0.219 0.000 2.162 404 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.260 404 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.260 404 G C 0.070 174.808 174.900 -0.270 0.000 0.976 404 G CA 0.315 45.292 45.100 -0.206 0.000 0.655 404 G HN 0.473 nan 8.290 nan 0.000 0.533 405 I N 2.903 123.285 120.570 -0.314 0.000 2.342 405 I HA 0.295 4.465 4.170 -0.001 0.000 0.291 405 I C -1.515 174.413 176.117 -0.315 0.000 1.010 405 I CA -2.325 58.760 61.300 -0.357 0.000 1.308 405 I CB 1.272 39.083 38.000 -0.315 0.000 1.400 405 I HN -0.076 nan 8.210 nan 0.000 0.488 406 P HA 0.142 nan 4.420 nan 0.000 0.275 406 P C -0.440 176.603 177.300 -0.429 0.000 1.228 406 P CA 0.016 62.909 63.100 -0.345 0.000 0.786 406 P CB 1.344 32.917 31.700 -0.212 0.000 0.927 407 T N -0.446 113.729 114.554 -0.631 0.000 2.754 407 T HA 0.528 4.877 4.350 -0.001 0.000 0.296 407 T C -0.837 173.273 174.700 -0.983 0.000 1.205 407 T CA -0.379 61.369 62.100 -0.586 0.000 1.009 407 T CB 1.054 69.747 68.868 -0.292 0.000 1.368 407 T HN 0.268 nan 8.240 nan 0.000 0.509 408 Y N -0.854 119.408 120.300 -0.063 0.000 2.830 408 Y HA 0.284 4.834 4.550 -0.001 0.000 0.255 408 Y C 0.941 176.759 175.900 -0.137 0.000 1.130 408 Y CA -0.716 57.315 58.100 -0.115 0.000 1.217 408 Y CB 0.154 38.566 38.460 -0.081 0.000 1.296 408 Y HN 0.547 nan 8.280 nan 0.000 0.571 409 D N 0.902 121.275 120.400 -0.045 0.000 2.178 409 D HA -0.155 4.485 4.640 -0.001 0.000 0.201 409 D C 1.565 177.819 176.300 -0.078 0.000 0.980 409 D CA 1.395 55.372 54.000 -0.038 0.000 0.842 409 D CB 0.069 40.851 40.800 -0.031 0.000 0.948 409 D HN 0.468 nan 8.370 nan 0.000 0.472 410 E N 0.534 120.653 120.200 -0.135 0.000 2.085 410 E HA -0.157 4.193 4.350 -0.001 0.000 0.194 410 E C 2.224 178.483 176.600 -0.570 0.000 0.994 410 E CA 0.589 56.854 56.400 -0.225 0.000 0.801 410 E CB -0.280 29.385 29.700 -0.058 0.000 0.743 410 E HN 0.334 nan 8.360 nan 0.000 0.453 411 L N 1.134 122.030 121.223 -0.545 0.000 2.137 411 L HA -0.248 4.092 4.340 -0.001 0.000 0.213 411 L C 2.290 178.902 176.870 -0.430 0.000 1.085 411 L CA 1.284 55.743 54.840 -0.636 0.000 0.760 411 L CB -0.641 41.193 42.059 -0.374 0.000 0.893 411 L HN 0.092 nan 8.230 nan 0.000 0.434 412 K N 0.176 120.452 120.400 -0.207 0.000 2.173 412 K HA -0.231 4.088 4.320 -0.001 0.000 0.207 412 K C 1.966 178.625 176.600 0.099 0.000 1.046 412 K CA 2.182 58.452 56.287 -0.028 0.000 0.929 412 K CB -0.382 32.141 32.500 0.039 0.000 0.720 412 K HN 0.695 nan 8.250 nan 0.000 0.453 413 W N 0.740 122.020 121.300 -0.035 0.000 2.467 413 W HA -0.049 4.611 4.660 -0.001 0.000 0.275 413 W C 1.136 177.625 176.519 -0.051 0.000 1.239 413 W CA 0.140 57.460 57.345 -0.041 0.000 1.266 413 W CB -0.444 28.954 29.460 -0.103 0.000 1.112 413 W HN -0.096 nan 8.180 nan 0.000 0.576 414 I N 1.924 122.499 120.570 0.008 0.000 2.700 414 I HA -0.247 3.923 4.170 -0.001 0.000 0.261 414 I C 1.439 177.575 176.117 0.032 0.000 1.219 414 I CA 1.368 62.584 61.300 -0.139 0.000 1.463 414 I CB -0.575 37.098 38.000 -0.544 0.000 1.092 414 I HN -0.043 nan 8.210 nan 0.000 0.452 415 D N -0.086 120.378 120.400 0.106 0.000 2.349 415 D HA -0.126 4.514 4.640 -0.001 0.000 0.224 415 D C 1.634 178.085 176.300 0.252 0.000 1.029 415 D CA 0.140 54.217 54.000 0.128 0.000 0.879 415 D CB -0.042 40.796 40.800 0.065 0.000 0.906 415 D HN 0.536 nan 8.370 nan 0.000 0.528 416 W N 0.843 122.185 121.300 0.070 0.000 2.290 416 W HA -0.226 4.433 4.660 -0.001 0.000 0.323 416 W C 0.031 176.572 176.519 0.036 0.000 1.260 416 W CA 0.612 57.994 57.345 0.062 0.000 1.266 416 W CB 0.148 29.636 29.460 0.046 0.000 1.149 416 W HN -0.046 nan 8.180 nan 0.000 0.482 417 L N -0.068 121.246 121.223 0.152 0.000 2.399 417 L HA 0.192 4.531 4.340 -0.001 0.000 0.265 417 L C -1.230 175.617 176.870 -0.037 0.000 1.089 417 L CA -1.893 52.940 54.840 -0.011 0.000 0.802 417 L CB 0.162 42.237 42.059 0.028 0.000 1.180 417 L HN -0.288 nan 8.230 nan 0.000 0.454 418 P HA -0.046 nan 4.420 nan 0.000 0.216 418 P C -0.208 177.050 177.300 -0.070 0.000 1.153 418 P CA 1.198 64.266 63.100 -0.054 0.000 0.844 418 P CB 0.304 31.977 31.700 -0.044 0.000 0.787 419 N N -0.153 118.490 118.700 -0.095 0.000 2.844 419 N HA 0.208 4.947 4.740 -0.001 0.000 0.268 419 N C 0.043 175.394 175.510 -0.265 0.000 1.574 419 N CA -0.147 52.819 53.050 -0.139 0.000 0.838 419 N CB 0.835 39.272 38.487 -0.083 0.000 1.177 419 N HN -0.041 nan 8.380 nan 0.000 0.495 420 G N 0.390 109.047 108.800 -0.238 0.000 2.441 420 G HA2 0.496 4.456 3.960 -0.001 0.000 0.243 420 G HA3 0.496 4.456 3.960 -0.001 0.000 0.243 420 G C -0.356 174.231 174.900 -0.521 0.000 1.281 420 G CA -0.106 44.819 45.100 -0.293 0.000 0.854 420 G HN 0.424 nan 8.290 nan 0.000 0.560 421 A N 2.521 124.912 122.820 -0.715 0.000 2.594 421 A HA 0.706 5.025 4.320 -0.001 0.000 0.295 421 A C -0.658 176.720 177.584 -0.343 0.000 1.071 421 A CA -0.855 50.659 52.037 -0.872 0.000 0.685 421 A CB 1.416 19.684 19.000 -1.220 0.000 1.285 421 A HN 1.227 nan 8.150 nan 0.000 0.405 422 H N 0.500 119.552 119.070 -0.030 0.000 2.533 422 H HA 0.857 5.413 4.556 -0.001 0.000 0.343 422 H C -1.673 173.712 175.328 0.096 0.000 1.160 422 H CA -1.842 54.237 56.048 0.051 0.000 1.218 422 H CB 1.520 31.228 29.762 -0.091 0.000 1.566 422 H HN 0.853 nan 8.280 nan 0.000 0.522 423 L N 2.454 123.625 121.223 -0.086 0.000 2.516 423 L HA 0.425 4.765 4.340 -0.001 0.000 0.267 423 L C -2.086 174.598 176.870 -0.310 0.000 0.957 423 L CA -0.503 54.269 54.840 -0.113 0.000 0.860 423 L CB 1.175 43.279 42.059 0.075 0.000 1.265 423 L HN 0.510 nan 8.230 nan 0.000 0.403 424 F N 5.582 125.412 119.950 -0.199 0.000 2.411 424 F HA 0.444 4.971 4.527 -0.001 0.000 0.352 424 F C -0.346 175.439 175.800 -0.024 0.000 1.123 424 F CA -0.422 57.478 58.000 -0.168 0.000 1.044 424 F CB 1.323 40.130 39.000 -0.321 0.000 1.135 424 F HN 0.389 nan 8.300 nan 0.000 0.461 425 F N 3.079 123.044 119.950 0.024 0.000 2.391 425 F HA 0.512 5.039 4.527 -0.001 0.000 0.359 425 F C -0.188 175.620 175.800 0.013 0.000 1.122 425 F CA -0.731 57.242 58.000 -0.045 0.000 1.120 425 F CB 0.746 39.650 39.000 -0.160 0.000 1.142 425 F HN 0.312 nan 8.300 nan 0.000 0.483 426 S N 7.812 123.300 115.700 -0.352 0.000 2.158 426 S HA 0.365 4.834 4.470 -0.001 0.000 0.160 426 S C -2.838 171.592 174.600 -0.283 0.000 1.693 426 S CA -1.040 57.018 58.200 -0.237 0.000 1.251 426 S CB 0.673 64.014 63.200 0.235 0.000 1.153 426 S HN 0.371 nan 8.310 nan 0.000 0.439 427 P HA 0.400 nan 4.420 nan 0.000 0.286 427 P C -0.446 176.723 177.300 -0.218 0.000 1.261 427 P CA -0.672 62.192 63.100 -0.393 0.000 0.821 427 P CB 0.642 32.009 31.700 -0.556 0.000 1.013 428 I N 1.388 121.907 120.570 -0.085 0.000 2.677 428 I HA 0.644 4.814 4.170 -0.001 0.000 0.305 428 I C 0.533 176.616 176.117 -0.056 0.000 0.988 428 I CA -0.704 60.556 61.300 -0.067 0.000 1.260 428 I CB 0.640 38.624 38.000 -0.027 0.000 1.410 428 I HN 0.401 nan 8.210 nan 0.000 0.523 429 A N 5.122 127.930 122.820 -0.021 0.000 2.547 429 A HA 0.528 4.847 4.320 -0.001 0.000 0.297 429 A C -0.392 177.235 177.584 0.072 0.000 1.056 429 A CA -0.814 51.186 52.037 -0.062 0.000 0.688 429 A CB 1.302 20.224 19.000 -0.130 0.000 1.282 429 A HN 0.649 nan 8.150 nan 0.000 0.400 430 K N -0.018 120.460 120.400 0.130 0.000 2.188 430 K HA 0.360 4.680 4.320 -0.001 0.000 0.246 430 K C -0.322 176.304 176.600 0.044 0.000 1.026 430 K CA -0.145 56.204 56.287 0.104 0.000 0.871 430 K CB 0.515 33.084 32.500 0.114 0.000 1.042 430 K HN 0.353 nan 8.250 nan 0.000 0.509 431 V N 2.308 122.237 119.914 0.025 0.000 2.174 431 V HA 0.107 4.226 4.120 -0.001 0.000 0.259 431 V C -0.466 175.603 176.094 -0.042 0.000 1.261 431 V CA -0.223 62.062 62.300 -0.025 0.000 1.137 431 V CB -0.410 31.407 31.823 -0.009 0.000 1.290 431 V HN 0.761 nan 8.190 nan 0.000 0.486 432 S N 1.540 117.206 115.700 -0.057 0.000 2.566 432 S HA 0.559 5.029 4.470 -0.001 0.000 0.273 432 S C 0.941 175.484 174.600 -0.096 0.000 1.157 432 S CA 0.037 58.205 58.200 -0.054 0.000 0.938 432 S CB 1.799 64.997 63.200 -0.004 0.000 1.087 432 S HN 0.561 nan 8.310 nan 0.000 0.474 433 G N 1.881 110.605 108.800 -0.128 0.000 2.442 433 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.219 433 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.219 433 G C 1.019 175.860 174.900 -0.099 0.000 1.141 433 G CA 1.111 46.111 45.100 -0.167 0.000 0.763 433 G HN 0.873 nan 8.290 nan 0.000 0.554 434 E N 0.350 120.526 120.200 -0.040 0.000 2.023 434 E HA -0.202 4.148 4.350 -0.001 0.000 0.196 434 E C 2.083 178.724 176.600 0.070 0.000 1.003 434 E CA 1.568 57.978 56.400 0.016 0.000 0.809 434 E CB -0.224 29.494 29.700 0.031 0.000 0.755 434 E HN 0.362 nan 8.360 nan 0.000 0.449 435 D N -0.496 119.958 120.400 0.090 0.000 2.117 435 D HA -0.105 4.534 4.640 -0.001 0.000 0.197 435 D C 1.798 178.152 176.300 0.089 0.000 0.987 435 D CA 1.569 55.686 54.000 0.195 0.000 0.829 435 D CB -0.113 40.808 40.800 0.203 0.000 0.961 435 D HN 0.290 nan 8.370 nan 0.000 0.460 436 A N -0.412 122.393 122.820 -0.024 0.000 1.972 436 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 436 A C 2.049 179.626 177.584 -0.010 0.000 1.169 436 A CA 1.397 53.369 52.037 -0.107 0.000 0.635 436 A CB -0.501 18.292 19.000 -0.345 0.000 0.810 436 A HN 0.259 nan 8.150 nan 0.000 0.446 437 M N -1.119 118.493 119.600 0.020 0.000 2.098 437 M HA 0.053 4.533 4.480 -0.001 0.000 0.262 437 M C 2.247 178.650 176.300 0.171 0.000 1.072 437 M CA 1.991 57.363 55.300 0.119 0.000 1.133 437 M CB -0.503 32.136 32.600 0.066 0.000 1.344 437 M HN 0.525 nan 8.290 nan 0.000 0.414 438 M N -0.604 119.093 119.600 0.162 0.000 2.106 438 M HA -0.323 4.156 4.480 -0.001 0.000 0.259 438 M C 2.167 178.631 176.300 0.273 0.000 1.068 438 M CA 2.165 57.604 55.300 0.232 0.000 1.100 438 M CB -0.383 32.390 32.600 0.288 0.000 1.351 438 M HN 0.490 nan 8.290 nan 0.000 0.404 439 Q N -0.868 118.985 119.800 0.088 0.000 2.079 439 Q HA -0.248 4.092 4.340 -0.001 0.000 0.200 439 Q C 2.032 178.110 176.000 0.130 0.000 0.974 439 Q CA 1.772 57.414 55.803 -0.268 0.000 0.840 439 Q CB -0.541 27.623 28.738 -0.955 0.000 0.898 439 Q HN 0.705 nan 8.270 nan 0.000 0.430 440 Y N 0.937 121.298 120.300 0.101 0.000 2.151 440 Y HA -0.255 4.295 4.550 -0.001 0.000 0.284 440 Y C 2.017 177.976 175.900 0.099 0.000 1.166 440 Y CA 1.506 59.715 58.100 0.181 0.000 1.163 440 Y CB -0.962 37.592 38.460 0.156 0.000 0.974 440 Y HN 0.247 nan 8.280 nan 0.000 0.511 441 A N 0.074 122.811 122.820 -0.138 0.000 1.859 441 A HA -0.246 4.074 4.320 -0.001 0.000 0.218 441 A C 2.451 179.989 177.584 -0.076 0.000 1.209 441 A CA 3.064 54.979 52.037 -0.204 0.000 0.639 441 A CB -1.524 17.460 19.000 -0.027 0.000 0.835 441 A HN 0.346 nan 8.150 nan 0.000 0.450 442 V N -0.000 119.952 119.914 0.064 0.000 2.220 442 V HA -0.342 3.777 4.120 -0.001 0.000 0.250 442 V C 2.742 178.901 176.094 0.109 0.000 1.056 442 V CA 2.821 65.188 62.300 0.111 0.000 1.016 442 V CB -1.748 30.204 31.823 0.214 0.000 0.639 442 V HN 0.685 nan 8.190 nan 0.000 0.446 443 T N -0.583 114.079 114.554 0.180 0.000 2.721 443 T HA -0.329 4.021 4.350 -0.001 0.000 0.268 443 T C 1.858 176.717 174.700 0.265 0.000 1.038 443 T CA 2.134 64.382 62.100 0.248 0.000 1.145 443 T CB -0.268 68.860 68.868 0.434 0.000 0.858 443 T HN 0.506 nan 8.240 nan 0.000 0.459 444 K N 1.187 121.693 120.400 0.177 0.000 1.984 444 K HA -0.091 4.229 4.320 -0.001 0.000 0.209 444 K C 2.453 179.102 176.600 0.081 0.000 1.046 444 K CA 1.333 57.685 56.287 0.108 0.000 0.934 444 K CB -0.191 32.120 32.500 -0.316 0.000 0.717 444 K HN 0.195 nan 8.250 nan 0.000 0.438 445 K N 0.319 120.727 120.400 0.014 0.000 2.077 445 K HA -0.236 4.084 4.320 -0.001 0.000 0.213 445 K C 2.079 178.731 176.600 0.087 0.000 1.051 445 K CA 1.705 58.011 56.287 0.032 0.000 0.929 445 K CB -0.022 32.494 32.500 0.026 0.000 0.715 445 K HN 0.074 nan 8.250 nan 0.000 0.451 446 R N 0.158 120.716 120.500 0.098 0.000 2.115 446 R HA -0.048 4.292 4.340 -0.001 0.000 0.226 446 R C 2.438 178.835 176.300 0.163 0.000 1.100 446 R CA 1.128 57.304 56.100 0.127 0.000 0.980 446 R CB -1.054 29.259 30.300 0.021 0.000 0.875 446 R HN 0.379 nan 8.270 nan 0.000 0.445 447 C N 0.803 120.192 119.300 0.148 0.000 2.435 447 C HA -0.039 4.421 4.460 -0.001 0.000 0.279 447 C C 2.645 177.721 174.990 0.143 0.000 1.321 447 C CA 0.425 59.533 59.018 0.150 0.000 1.752 447 C CB -0.636 27.215 27.740 0.184 0.000 1.959 447 C HN 0.504 nan 8.230 nan 0.000 0.500 448 Q N 0.739 120.615 119.800 0.128 0.000 1.990 448 Q HA -0.185 4.155 4.340 -0.001 0.000 0.200 448 Q C 2.189 178.246 176.000 0.095 0.000 0.980 448 Q CA 1.558 57.421 55.803 0.100 0.000 0.832 448 Q CB -0.214 28.568 28.738 0.073 0.000 0.897 448 Q HN 0.689 nan 8.270 nan 0.000 0.427 449 E N 0.586 120.854 120.200 0.114 0.000 2.097 449 E HA -0.229 4.120 4.350 -0.001 0.000 0.196 449 E C 1.801 178.450 176.600 0.081 0.000 1.000 449 E CA 1.099 57.558 56.400 0.098 0.000 0.804 449 E CB -0.226 29.585 29.700 0.184 0.000 0.740 449 E HN 0.349 nan 8.360 nan 0.000 0.454 450 A N 0.452 123.390 122.820 0.196 0.000 2.216 450 A HA 0.120 4.440 4.320 -0.001 0.000 0.214 450 A C 1.705 179.340 177.584 0.084 0.000 1.160 450 A CA 0.980 53.121 52.037 0.174 0.000 0.725 450 A CB -0.464 18.698 19.000 0.269 0.000 0.784 450 A HN 0.370 nan 8.150 nan 0.000 0.472 451 G N -1.527 107.319 108.800 0.076 0.000 2.204 451 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.244 451 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.244 451 G C -0.206 174.749 174.900 0.091 0.000 1.062 451 G CA 0.339 45.477 45.100 0.064 0.000 0.798 451 G HN 0.477 nan 8.290 nan 0.000 0.496 452 L N -0.247 121.043 121.223 0.111 0.000 2.354 452 L HA 0.486 4.826 4.340 -0.001 0.000 0.264 452 L C -0.504 176.453 176.870 0.145 0.000 1.008 452 L CA -1.209 53.709 54.840 0.130 0.000 0.819 452 L CB 1.641 43.771 42.059 0.118 0.000 1.339 452 L HN -0.016 nan 8.230 nan 0.000 0.420 453 D N 1.864 122.366 120.400 0.170 0.000 2.343 453 D HA 0.136 4.776 4.640 -0.001 0.000 0.255 453 D C -0.381 175.957 176.300 0.063 0.000 1.187 453 D CA 0.131 54.230 54.000 0.164 0.000 0.875 453 D CB 1.185 42.144 40.800 0.264 0.000 1.136 453 D HN 0.141 nan 8.370 nan 0.000 0.469 454 F N 3.428 123.342 119.950 -0.062 0.000 2.450 454 F HA 0.373 4.900 4.527 -0.001 0.000 0.339 454 F C -0.200 175.396 175.800 -0.340 0.000 1.146 454 F CA -0.049 57.873 58.000 -0.131 0.000 1.267 454 F CB 0.444 39.383 39.000 -0.102 0.000 1.178 454 F HN 0.223 nan 8.300 nan 0.000 0.585 455 I N 4.114 124.013 120.570 -1.119 0.000 2.731 455 I HA 0.577 4.746 4.170 -0.001 0.000 0.289 455 I C -0.351 175.174 176.117 -0.986 0.000 1.399 455 I CA -0.647 60.165 61.300 -0.813 0.000 1.048 455 I CB 1.659 39.250 38.000 -0.683 0.000 1.345 455 I HN 0.902 nan 8.210 nan 0.000 0.425 456 G N 3.207 111.726 108.800 -0.469 0.000 2.322 456 G HA2 0.690 4.649 3.960 -0.001 0.000 0.295 456 G HA3 0.690 4.649 3.960 -0.001 0.000 0.295 456 G C -1.334 173.630 174.900 0.108 0.000 1.369 456 G CA -0.238 44.723 45.100 -0.231 0.000 0.821 456 G HN 0.541 nan 8.290 nan 0.000 0.536 457 T N -1.121 113.447 114.554 0.023 0.000 2.598 457 T HA 0.779 5.129 4.350 -0.001 0.000 0.289 457 T C -1.761 172.715 174.700 -0.374 0.000 1.056 457 T CA -0.553 61.594 62.100 0.078 0.000 1.088 457 T CB 1.464 70.396 68.868 0.107 0.000 1.519 457 T HN 0.595 nan 8.240 nan 0.000 0.488 458 F N 1.391 121.352 119.950 0.019 0.000 2.653 458 F HA 0.427 4.953 4.527 -0.001 0.000 0.327 458 F C 0.278 176.107 175.800 0.048 0.000 1.195 458 F CA -0.924 57.064 58.000 -0.019 0.000 0.993 458 F CB 1.607 40.524 39.000 -0.139 0.000 1.259 458 F HN 0.594 nan 8.300 nan 0.000 0.478 459 T N 0.090 114.779 114.554 0.226 0.000 2.749 459 T HA 0.465 4.815 4.350 -0.001 0.000 0.295 459 T C -0.150 174.645 174.700 0.159 0.000 0.936 459 T CA -0.667 61.540 62.100 0.178 0.000 1.060 459 T CB 0.709 69.642 68.868 0.108 0.000 0.904 459 T HN 0.333 nan 8.240 nan 0.000 0.500 460 V N 4.987 125.016 119.914 0.191 0.000 2.359 460 V HA 0.345 4.465 4.120 -0.001 0.000 0.248 460 V C 1.529 177.693 176.094 0.118 0.000 1.091 460 V CA -0.247 62.158 62.300 0.175 0.000 1.103 460 V CB -1.146 30.808 31.823 0.219 0.000 1.176 460 V HN 1.117 nan 8.190 nan 0.000 0.488 461 G N 2.866 111.718 108.800 0.087 0.000 2.653 461 G HA2 0.307 4.267 3.960 -0.001 0.000 0.265 461 G HA3 0.307 4.267 3.960 -0.001 0.000 0.265 461 G C 0.618 175.566 174.900 0.081 0.000 1.237 461 G CA -0.484 44.651 45.100 0.060 0.000 0.946 461 G HN 0.602 nan 8.290 nan 0.000 0.522 462 M N -1.081 118.564 119.600 0.075 0.000 2.193 462 M HA 0.198 4.678 4.480 -0.001 0.000 0.265 462 M C 2.040 178.381 176.300 0.068 0.000 1.071 462 M CA 1.485 56.831 55.300 0.076 0.000 1.140 462 M CB 0.213 32.856 32.600 0.071 0.000 1.369 462 M HN 0.463 nan 8.290 nan 0.000 0.423 463 R N -0.434 120.107 120.500 0.069 0.000 2.549 463 R HA 0.224 4.564 4.340 -0.001 0.000 0.399 463 R C -0.376 175.965 176.300 0.068 0.000 0.964 463 R CA -0.037 56.098 56.100 0.059 0.000 1.173 463 R CB 0.886 31.219 30.300 0.054 0.000 1.535 463 R HN 0.287 nan 8.270 nan 0.000 0.551 464 E N 0.687 120.937 120.200 0.083 0.000 2.458 464 E HA 0.401 4.751 4.350 -0.001 0.000 0.278 464 E C -1.402 175.274 176.600 0.126 0.000 1.004 464 E CA -0.659 55.803 56.400 0.103 0.000 0.823 464 E CB 1.904 31.674 29.700 0.118 0.000 1.396 464 E HN -0.068 nan 8.360 nan 0.000 0.463 465 M N 1.822 121.515 119.600 0.155 0.000 2.322 465 M HA 0.218 4.697 4.480 -0.001 0.000 0.285 465 M C -1.626 174.808 176.300 0.224 0.000 1.119 465 M CA -0.674 54.747 55.300 0.202 0.000 0.953 465 M CB 2.122 34.840 32.600 0.197 0.000 1.701 465 M HN 0.456 nan 8.290 nan 0.000 0.479 466 H N 1.936 120.992 119.070 -0.025 0.000 3.004 466 H HA 0.167 4.722 4.556 -0.001 0.000 0.267 466 H C -0.280 174.995 175.328 -0.090 0.000 1.165 466 H CA 0.077 56.049 56.048 -0.127 0.000 1.450 466 H CB -0.329 29.273 29.762 -0.267 0.000 1.488 466 H HN 0.314 nan 8.280 nan 0.000 0.478 467 H N 5.044 123.991 119.070 -0.204 0.000 3.157 467 H HA 0.064 4.620 4.556 -0.001 0.000 0.260 467 H C -0.396 174.726 175.328 -0.343 0.000 1.232 467 H CA -0.953 54.818 56.048 -0.461 0.000 1.488 467 H CB -0.382 29.068 29.762 -0.520 0.000 1.548 467 H HN 0.421 nan 8.280 nan 0.000 0.487 468 I N 7.681 128.285 120.570 0.057 0.000 2.278 468 I HA 0.020 4.189 4.170 -0.001 0.000 0.296 468 I C 0.119 176.204 176.117 -0.053 0.000 1.121 468 I CA -0.520 60.797 61.300 0.029 0.000 1.267 468 I CB -0.086 38.003 38.000 0.149 0.000 1.447 468 I HN 0.210 nan 8.210 nan 0.000 0.509 469 V N 5.820 125.598 119.914 -0.227 0.000 2.508 469 V HA 0.066 4.185 4.120 -0.001 0.000 0.281 469 V C 0.445 176.433 176.094 -0.178 0.000 1.041 469 V CA -0.405 61.714 62.300 -0.302 0.000 1.016 469 V CB 0.877 32.569 31.823 -0.217 0.000 0.984 469 V HN 0.741 nan 8.190 nan 0.000 0.478 470 C N 6.959 126.046 119.300 -0.354 0.000 2.125 470 C HA 0.473 4.932 4.460 -0.001 0.000 0.355 470 C C 0.538 175.345 174.990 -0.305 0.000 1.047 470 C CA -0.869 57.948 59.018 -0.334 0.000 1.501 470 C CB -1.733 25.702 27.740 -0.508 0.000 1.783 470 C HN 0.667 nan 8.230 nan 0.000 0.455 471 I N 3.055 123.516 120.570 -0.183 0.000 2.337 471 I HA 0.303 4.473 4.170 -0.001 0.000 0.291 471 I C 0.264 176.453 176.117 0.120 0.000 1.046 471 I CA 0.305 61.578 61.300 -0.045 0.000 1.324 471 I CB 0.363 38.354 38.000 -0.015 0.000 1.409 471 I HN 0.282 nan 8.210 nan 0.000 0.494 472 V N 7.152 127.168 119.914 0.170 0.000 3.193 472 V HA 0.693 4.813 4.120 -0.001 0.000 0.320 472 V C -0.398 175.920 176.094 0.373 0.000 1.112 472 V CA -0.505 61.922 62.300 0.211 0.000 1.026 472 V CB 1.905 33.837 31.823 0.181 0.000 1.128 472 V HN 0.730 nan 8.190 nan 0.000 0.452 473 F N -1.355 118.633 119.950 0.064 0.000 2.919 473 F HA 0.337 4.864 4.527 -0.001 0.000 0.330 473 F C -1.146 174.668 175.800 0.023 0.000 1.136 473 F CA -1.189 56.841 58.000 0.051 0.000 0.901 473 F CB 1.011 40.035 39.000 0.040 0.000 1.321 473 F HN 0.368 nan 8.300 nan 0.000 0.449 474 N N 2.249 120.998 118.700 0.082 0.000 2.439 474 N HA 0.118 4.858 4.740 -0.001 0.000 0.243 474 N C 0.780 176.354 175.510 0.106 0.000 1.088 474 N CA 0.142 53.171 53.050 -0.035 0.000 0.940 474 N CB 1.330 39.838 38.487 0.035 0.000 1.180 474 N HN 0.917 nan 8.380 nan 0.000 0.505 475 K N 2.984 123.291 120.400 -0.154 0.000 2.218 475 K HA -0.153 4.166 4.320 -0.001 0.000 0.205 475 K C 0.622 177.361 176.600 0.231 0.000 1.046 475 K CA 1.287 57.630 56.287 0.094 0.000 0.933 475 K CB 0.080 32.407 32.500 -0.287 0.000 0.728 475 K HN 0.378 nan 8.250 nan 0.000 0.454 476 K N 0.672 121.151 120.400 0.133 0.000 2.444 476 K HA 0.008 4.328 4.320 -0.001 0.000 0.193 476 K C -0.175 176.495 176.600 0.117 0.000 1.024 476 K CA 0.234 56.600 56.287 0.132 0.000 1.077 476 K CB 0.198 32.757 32.500 0.099 0.000 0.833 476 K HN 0.131 nan 8.250 nan 0.000 0.517 477 D N 0.917 121.401 120.400 0.139 0.000 2.467 477 D HA 0.090 4.730 4.640 -0.001 0.000 0.220 477 D C 0.675 177.046 176.300 0.119 0.000 1.103 477 D CA -0.417 53.652 54.000 0.115 0.000 0.886 477 D CB 0.796 41.661 40.800 0.107 0.000 1.025 477 D HN -0.171 nan 8.370 nan 0.000 0.514 478 L N 3.600 124.874 121.223 0.086 0.000 2.083 478 L HA -0.103 4.237 4.340 -0.001 0.000 0.209 478 L C 2.043 178.936 176.870 0.038 0.000 1.083 478 L CA 0.912 55.790 54.840 0.063 0.000 0.752 478 L CB -0.689 41.395 42.059 0.041 0.000 0.899 478 L HN 0.436 nan 8.230 nan 0.000 0.433 479 I N -0.625 119.963 120.570 0.031 0.000 2.286 479 I HA -0.284 3.885 4.170 -0.001 0.000 0.248 479 I C 2.739 178.863 176.117 0.011 0.000 1.115 479 I CA 1.334 62.640 61.300 0.010 0.000 1.392 479 I CB -0.705 37.296 38.000 0.003 0.000 1.065 479 I HN 0.386 nan 8.210 nan 0.000 0.418 480 Q N 0.562 120.385 119.800 0.038 0.000 2.049 480 Q HA -0.207 4.132 4.340 -0.001 0.000 0.198 480 Q C 2.221 178.216 176.000 -0.008 0.000 0.971 480 Q CA 1.425 57.255 55.803 0.045 0.000 0.833 480 Q CB 0.044 28.850 28.738 0.114 0.000 0.896 480 Q HN 0.364 nan 8.270 nan 0.000 0.434 481 K N 0.033 120.430 120.400 -0.006 0.000 2.074 481 K HA -0.190 4.130 4.320 -0.001 0.000 0.209 481 K C 2.125 178.663 176.600 -0.103 0.000 1.048 481 K CA 1.816 58.024 56.287 -0.132 0.000 0.926 481 K CB -0.089 32.407 32.500 -0.007 0.000 0.713 481 K HN 0.190 nan 8.250 nan 0.000 0.444 482 R N 0.825 121.310 120.500 -0.025 0.000 2.120 482 R HA -0.111 4.229 4.340 -0.001 0.000 0.234 482 R C 2.029 178.364 176.300 0.059 0.000 1.123 482 R CA 1.284 57.391 56.100 0.011 0.000 0.975 482 R CB -0.139 30.165 30.300 0.007 0.000 0.866 482 R HN 0.207 nan 8.270 nan 0.000 0.446 483 K N 0.293 120.712 120.400 0.031 0.000 2.103 483 K HA -0.031 4.288 4.320 -0.001 0.000 0.204 483 K C 2.079 178.779 176.600 0.166 0.000 1.052 483 K CA 1.023 57.370 56.287 0.100 0.000 0.945 483 K CB -0.030 32.492 32.500 0.037 0.000 0.722 483 K HN -0.043 nan 8.250 nan 0.000 0.443 484 V N 2.210 122.121 119.914 -0.005 0.000 2.261 484 V HA -0.288 3.832 4.120 -0.001 0.000 0.246 484 V C 2.288 178.355 176.094 -0.044 0.000 1.047 484 V CA 1.751 63.997 62.300 -0.090 0.000 1.015 484 V CB -0.655 30.950 31.823 -0.362 0.000 0.642 484 V HN 0.338 nan 8.190 nan 0.000 0.446 485 Q N -1.292 118.515 119.800 0.011 0.000 2.077 485 Q HA -0.317 4.022 4.340 -0.001 0.000 0.206 485 Q C 2.060 178.129 176.000 0.114 0.000 0.989 485 Q CA 2.564 58.445 55.803 0.130 0.000 0.853 485 Q CB -0.394 28.407 28.738 0.105 0.000 0.907 485 Q HN 0.807 nan 8.270 nan 0.000 0.418 486 W N 1.366 122.647 121.300 -0.031 0.000 2.333 486 W HA -0.238 4.421 4.660 -0.001 0.000 0.316 486 W C 1.924 178.400 176.519 -0.072 0.000 1.215 486 W CA 1.344 58.668 57.345 -0.035 0.000 1.278 486 W CB -0.505 28.933 29.460 -0.038 0.000 1.154 486 W HN 0.172 nan 8.180 nan 0.000 0.486 487 L N 0.771 121.974 121.223 -0.033 0.000 2.042 487 L HA -0.262 4.077 4.340 -0.001 0.000 0.210 487 L C 2.432 178.986 176.870 -0.528 0.000 1.076 487 L CA 2.202 56.827 54.840 -0.358 0.000 0.749 487 L CB -1.179 40.857 42.059 -0.039 0.000 0.893 487 L HN 0.069 nan 8.230 nan 0.000 0.432 488 M N -0.129 119.225 119.600 -0.411 0.000 2.255 488 M HA -0.265 4.214 4.480 -0.001 0.000 0.260 488 M C 2.384 178.328 176.300 -0.594 0.000 1.069 488 M CA 2.151 57.096 55.300 -0.592 0.000 1.089 488 M CB -0.928 31.206 32.600 -0.775 0.000 1.269 488 M HN 0.342 nan 8.290 nan 0.000 0.434 489 R N -1.256 119.038 120.500 -0.343 0.000 2.193 489 R HA -0.077 4.263 4.340 -0.001 0.000 0.229 489 R C 1.914 177.993 176.300 -0.369 0.000 1.110 489 R CA 1.606 57.570 56.100 -0.226 0.000 0.988 489 R CB -0.783 29.491 30.300 -0.044 0.000 0.871 489 R HN 0.474 nan 8.270 nan 0.000 0.458 490 T N 1.811 116.005 114.554 -0.600 0.000 2.732 490 T HA -0.015 4.335 4.350 -0.001 0.000 0.261 490 T C 2.024 176.449 174.700 -0.458 0.000 1.040 490 T CA 0.726 62.457 62.100 -0.614 0.000 1.145 490 T CB -0.166 68.074 68.868 -1.047 0.000 0.866 490 T HN 0.086 nan 8.240 nan 0.000 0.427 491 L N 0.514 121.385 121.223 -0.586 0.000 2.042 491 L HA -0.084 4.255 4.340 -0.001 0.000 0.210 491 L C 2.531 179.092 176.870 -0.517 0.000 1.076 491 L CA 1.263 55.747 54.840 -0.594 0.000 0.749 491 L CB -0.630 40.836 42.059 -0.988 0.000 0.893 491 L HN 0.259 nan 8.230 nan 0.000 0.432 492 I N -0.218 119.987 120.570 -0.609 0.000 2.151 492 I HA -0.357 3.813 4.170 -0.001 0.000 0.243 492 I C 2.139 178.231 176.117 -0.042 0.000 1.080 492 I CA 1.429 62.615 61.300 -0.190 0.000 1.339 492 I CB -0.477 37.462 38.000 -0.103 0.000 1.039 492 I HN 0.342 nan 8.210 nan 0.000 0.409 493 D N 0.787 121.126 120.400 -0.101 0.000 2.097 493 D HA -0.163 4.477 4.640 -0.001 0.000 0.197 493 D C 1.764 178.053 176.300 -0.018 0.000 0.984 493 D CA 1.256 55.224 54.000 -0.053 0.000 0.826 493 D CB -0.456 40.301 40.800 -0.073 0.000 0.973 493 D HN 0.325 nan 8.370 nan 0.000 0.460 494 D N 0.620 121.010 120.400 -0.017 0.000 2.088 494 D HA -0.139 4.500 4.640 -0.001 0.000 0.191 494 D C 2.400 178.771 176.300 0.119 0.000 0.992 494 D CA 0.800 54.825 54.000 0.041 0.000 0.831 494 D CB -0.857 39.991 40.800 0.080 0.000 0.973 494 D HN 0.200 nan 8.370 nan 0.000 0.447 495 C N 1.484 120.943 119.300 0.265 0.000 2.376 495 C HA -0.190 4.269 4.460 -0.001 0.000 0.275 495 C C 3.001 178.126 174.990 0.226 0.000 1.200 495 C CA 1.218 60.550 59.018 0.523 0.000 1.756 495 C CB -1.221 26.909 27.740 0.649 0.000 2.050 495 C HN 0.425 nan 8.230 nan 0.000 0.460 496 A N 0.343 123.235 122.820 0.120 0.000 1.902 496 A HA 0.062 4.382 4.320 -0.001 0.000 0.217 496 A C 2.376 179.909 177.584 -0.085 0.000 1.181 496 A CA 2.172 54.201 52.037 -0.013 0.000 0.623 496 A CB -0.963 18.022 19.000 -0.025 0.000 0.818 496 A HN 0.656 nan 8.150 nan 0.000 0.443 497 A N -0.032 122.753 122.820 -0.059 0.000 2.024 497 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 497 A C 1.700 179.191 177.584 -0.156 0.000 1.164 497 A CA 1.594 53.582 52.037 -0.081 0.000 0.643 497 A CB -0.484 18.489 19.000 -0.044 0.000 0.806 497 A HN 0.616 nan 8.150 nan 0.000 0.451 498 N N -1.152 117.393 118.700 -0.258 0.000 2.236 498 N HA 0.190 4.930 4.740 -0.001 0.000 0.196 498 N C 0.789 175.846 175.510 -0.754 0.000 1.114 498 N CA 0.808 53.546 53.050 -0.520 0.000 0.859 498 N CB 0.639 38.639 38.487 -0.812 0.000 0.982 498 N HN 0.607 nan 8.380 nan 0.000 0.493 499 G N 0.808 109.319 108.800 -0.481 0.000 2.165 499 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.226 499 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.226 499 G C -0.832 173.817 174.900 -0.418 0.000 1.035 499 G CA -0.499 44.331 45.100 -0.449 0.000 0.744 499 G HN 0.181 nan 8.290 nan 0.000 0.501 500 W N -0.452 120.851 121.300 0.004 0.000 2.998 500 W HA 0.678 5.338 4.660 -0.001 0.000 0.335 500 W C 0.407 176.918 176.519 -0.012 0.000 1.110 500 W CA -1.099 56.254 57.345 0.013 0.000 1.230 500 W CB 1.915 31.403 29.460 0.046 0.000 1.405 500 W HN 0.543 nan 8.180 nan 0.000 0.493 501 G N 1.504 110.430 108.800 0.211 0.000 2.441 501 G HA2 0.547 4.507 3.960 -0.001 0.000 0.334 501 G HA3 0.547 4.507 3.960 -0.001 0.000 0.334 501 G C -1.054 173.960 174.900 0.190 0.000 1.161 501 G CA -0.445 44.726 45.100 0.118 0.000 0.935 501 G HN 0.204 nan 8.290 nan 0.000 0.488 502 E N -0.448 119.879 120.200 0.212 0.000 2.266 502 E HA 0.265 4.615 4.350 -0.001 0.000 0.277 502 E C 0.200 176.927 176.600 0.212 0.000 1.018 502 E CA -0.597 55.892 56.400 0.148 0.000 0.840 502 E CB 1.263 31.080 29.700 0.195 0.000 1.082 502 E HN 0.572 nan 8.360 nan 0.000 0.395 503 Y N 2.324 122.600 120.300 -0.041 0.000 2.503 503 Y HA 0.314 4.864 4.550 -0.001 0.000 0.278 503 Y C 0.406 176.238 175.900 -0.113 0.000 1.111 503 Y CA 0.136 58.172 58.100 -0.107 0.000 1.270 503 Y CB 0.590 38.887 38.460 -0.272 0.000 1.063 503 Y HN 0.351 nan 8.280 nan 0.000 0.548 504 R N -0.054 120.040 120.500 -0.676 0.000 2.690 504 R HA 0.548 4.887 4.340 -0.001 0.000 0.269 504 R C -1.717 174.408 176.300 -0.290 0.000 1.037 504 R CA 0.008 55.646 56.100 -0.770 0.000 0.877 504 R CB 1.565 30.967 30.300 -1.497 0.000 1.255 504 R HN 0.203 nan 8.270 nan 0.000 0.467 505 T N 0.071 114.519 114.554 -0.178 0.000 2.661 505 T HA 0.239 4.588 4.350 -0.001 0.000 0.305 505 T C -1.410 173.602 174.700 0.520 0.000 1.441 505 T CA -0.845 61.469 62.100 0.357 0.000 0.999 505 T CB 0.599 69.670 68.868 0.339 0.000 1.650 505 T HN 0.619 nan 8.240 nan 0.000 0.489 506 H N 0.458 119.886 119.070 0.597 0.000 2.607 506 H HA 0.368 4.924 4.556 -0.001 0.000 0.367 506 H C 1.088 176.590 175.328 0.290 0.000 1.181 506 H CA -0.359 55.992 56.048 0.505 0.000 1.402 506 H CB 0.662 30.771 29.762 0.578 0.000 1.474 506 H HN 0.546 nan 8.280 nan 0.000 0.596 507 L N 2.546 123.508 121.223 -0.436 0.000 2.043 507 L HA -0.232 4.107 4.340 -0.001 0.000 0.212 507 L C 2.393 179.232 176.870 -0.053 0.000 1.075 507 L CA 1.681 56.283 54.840 -0.397 0.000 0.752 507 L CB -0.587 40.846 42.059 -1.042 0.000 0.891 507 L HN 0.675 nan 8.230 nan 0.000 0.432 508 A N -1.671 121.437 122.820 0.481 0.000 2.252 508 A HA 0.019 4.339 4.320 -0.001 0.000 0.207 508 A C 1.110 178.382 177.584 -0.520 0.000 1.194 508 A CA 0.672 52.720 52.037 0.018 0.000 0.809 508 A CB -0.438 18.393 19.000 -0.282 0.000 0.814 508 A HN 0.457 nan 8.150 nan 0.000 0.482 509 F N -2.530 117.595 119.950 0.292 0.000 2.899 509 F HA 0.253 4.780 4.527 -0.001 0.000 0.337 509 F C 1.684 177.592 175.800 0.181 0.000 1.129 509 F CA -0.302 57.818 58.000 0.200 0.000 1.128 509 F CB -0.344 38.760 39.000 0.173 0.000 1.154 509 F HN 0.038 nan 8.300 nan 0.000 0.531 510 M N 0.234 120.002 119.600 0.279 0.000 2.089 510 M HA -0.260 4.220 4.480 -0.001 0.000 0.257 510 M C 1.597 178.011 176.300 0.189 0.000 1.071 510 M CA 1.951 57.364 55.300 0.188 0.000 1.096 510 M CB -0.499 32.146 32.600 0.075 0.000 1.330 510 M HN 0.119 nan 8.290 nan 0.000 0.403 511 D N 0.042 120.565 120.400 0.206 0.000 2.078 511 D HA -0.209 4.431 4.640 -0.001 0.000 0.193 511 D C 1.961 178.380 176.300 0.199 0.000 0.990 511 D CA 1.456 55.588 54.000 0.219 0.000 0.827 511 D CB -0.508 40.451 40.800 0.265 0.000 0.975 511 D HN 0.501 nan 8.370 nan 0.000 0.451 512 Q N 0.366 120.291 119.800 0.207 0.000 2.096 512 Q HA -0.182 4.158 4.340 -0.001 0.000 0.208 512 Q C 2.409 178.515 176.000 0.175 0.000 0.993 512 Q CA 1.318 57.232 55.803 0.185 0.000 0.862 512 Q CB -0.072 28.797 28.738 0.218 0.000 0.915 512 Q HN 0.339 nan 8.270 nan 0.000 0.416 513 I N -0.224 120.479 120.570 0.221 0.000 2.406 513 I HA -0.213 3.956 4.170 -0.001 0.000 0.249 513 I C 2.371 178.652 176.117 0.273 0.000 1.122 513 I CA 0.533 61.965 61.300 0.220 0.000 1.431 513 I CB -0.176 37.989 38.000 0.275 0.000 1.087 513 I HN 0.349 nan 8.210 nan 0.000 0.424 514 M N 1.211 120.977 119.600 0.277 0.000 2.279 514 M HA -0.192 4.288 4.480 -0.001 0.000 0.264 514 M C 1.893 178.367 176.300 0.289 0.000 1.062 514 M CA 1.713 57.215 55.300 0.336 0.000 1.099 514 M CB -0.338 32.406 32.600 0.239 0.000 1.394 514 M HN 0.002 nan 8.290 nan 0.000 0.426 515 E N -0.530 119.786 120.200 0.193 0.000 2.204 515 E HA -0.129 4.221 4.350 -0.001 0.000 0.194 515 E C 1.861 178.514 176.600 0.088 0.000 0.989 515 E CA 1.773 58.256 56.400 0.138 0.000 0.824 515 E CB -0.535 29.230 29.700 0.108 0.000 0.756 515 E HN 0.706 nan 8.360 nan 0.000 0.477 516 T N -1.831 112.737 114.554 0.022 0.000 2.759 516 T HA -0.225 4.124 4.350 -0.001 0.000 0.269 516 T C 1.331 175.898 174.700 -0.221 0.000 1.042 516 T CA 1.156 63.165 62.100 -0.152 0.000 1.140 516 T CB -0.809 67.892 68.868 -0.279 0.000 0.864 516 T HN 0.204 nan 8.240 nan 0.000 0.455 517 Y N 3.750 124.098 120.300 0.080 0.000 2.542 517 Y HA 0.123 4.673 4.550 -0.001 0.000 0.349 517 Y C 1.662 177.641 175.900 0.132 0.000 1.215 517 Y CA -0.180 57.953 58.100 0.056 0.000 1.253 517 Y CB -1.456 36.983 38.460 -0.035 0.000 1.120 517 Y HN 0.525 nan 8.280 nan 0.000 0.487 518 N N -1.537 117.276 118.700 0.189 0.000 2.567 518 N HA -0.186 4.554 4.740 -0.001 0.000 0.195 518 N C 0.100 175.734 175.510 0.208 0.000 1.242 518 N CA -0.243 52.921 53.050 0.189 0.000 0.884 518 N CB -0.505 38.051 38.487 0.117 0.000 1.007 518 N HN 0.373 nan 8.380 nan 0.000 0.450 519 W N 2.131 123.472 121.300 0.067 0.000 2.377 519 W HA -0.011 4.649 4.660 -0.001 0.000 0.341 519 W C 0.736 177.294 176.519 0.065 0.000 1.240 519 W CA 1.012 58.387 57.345 0.050 0.000 1.311 519 W CB -0.246 29.237 29.460 0.039 0.000 1.175 519 W HN 0.470 nan 8.180 nan 0.000 0.571 520 N N 4.605 122.774 118.700 -0.884 0.000 2.705 520 N HA -0.339 4.401 4.740 -0.001 0.000 0.255 520 N C -0.453 174.892 175.510 -0.275 0.000 1.008 520 N CA 0.708 53.298 53.050 -0.765 0.000 0.742 520 N CB -1.185 36.689 38.487 -1.022 0.000 0.906 520 N HN 0.720 nan 8.380 nan 0.000 0.541 521 N N -0.526 118.077 118.700 -0.161 0.000 2.727 521 N HA -0.182 4.558 4.740 -0.001 0.000 0.251 521 N C -0.019 175.507 175.510 0.027 0.000 1.040 521 N CA 1.373 54.393 53.050 -0.050 0.000 0.712 521 N CB -1.554 36.890 38.487 -0.071 0.000 0.912 521 N HN 0.586 nan 8.380 nan 0.000 0.545 522 S N -2.810 112.941 115.700 0.084 0.000 3.127 522 S HA -0.294 4.176 4.470 -0.001 0.000 0.281 522 S C 1.491 176.205 174.600 0.189 0.000 1.293 522 S CA 1.417 59.709 58.200 0.154 0.000 1.156 522 S CB -1.314 61.961 63.200 0.125 0.000 1.389 522 S HN 0.806 nan 8.310 nan 0.000 0.672 523 S N 0.269 116.069 115.700 0.166 0.000 2.393 523 S HA -0.260 4.209 4.470 -0.001 0.000 0.234 523 S C 1.321 176.086 174.600 0.275 0.000 1.064 523 S CA 2.243 60.558 58.200 0.191 0.000 1.088 523 S CB -0.416 62.901 63.200 0.196 0.000 0.939 523 S HN 0.668 nan 8.310 nan 0.000 0.448 524 F N 1.634 121.688 119.950 0.173 0.000 2.095 524 F HA -0.034 4.493 4.527 -0.001 0.000 0.298 524 F C 1.907 177.806 175.800 0.165 0.000 1.104 524 F CA 1.716 59.810 58.000 0.156 0.000 1.232 524 F CB -0.762 38.321 39.000 0.138 0.000 0.987 524 F HN 0.337 nan 8.300 nan 0.000 0.475 525 L N 1.136 122.487 121.223 0.213 0.000 2.046 525 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 525 L C 2.458 179.340 176.870 0.019 0.000 1.077 525 L CA 1.641 56.507 54.840 0.043 0.000 0.747 525 L CB -0.942 41.207 42.059 0.149 0.000 0.896 525 L HN 0.028 nan 8.230 nan 0.000 0.432 526 R N -0.819 119.739 120.500 0.098 0.000 2.094 526 R HA -0.244 4.096 4.340 -0.001 0.000 0.239 526 R C 2.266 178.604 176.300 0.063 0.000 1.137 526 R CA 2.015 58.172 56.100 0.095 0.000 0.943 526 R CB -1.632 28.741 30.300 0.121 0.000 0.850 526 R HN 0.424 nan 8.270 nan 0.000 0.433 527 F N 2.828 122.740 119.950 -0.062 0.000 2.095 527 F HA -0.221 4.306 4.527 -0.001 0.000 0.298 527 F C 2.041 177.745 175.800 -0.161 0.000 1.104 527 F CA 1.491 59.435 58.000 -0.093 0.000 1.232 527 F CB -0.361 38.581 39.000 -0.095 0.000 0.987 527 F HN 0.012 nan 8.300 nan 0.000 0.475 528 N N 0.692 119.308 118.700 -0.139 0.000 2.069 528 N HA -0.211 4.528 4.740 -0.001 0.000 0.191 528 N C 1.797 177.166 175.510 -0.235 0.000 1.031 528 N CA 1.913 54.799 53.050 -0.272 0.000 0.852 528 N CB -0.618 37.649 38.487 -0.367 0.000 1.018 528 N HN 0.505 nan 8.380 nan 0.000 0.423 529 E N 0.488 120.609 120.200 -0.132 0.000 2.118 529 E HA -0.126 4.224 4.350 -0.001 0.000 0.195 529 E C 2.058 178.589 176.600 -0.114 0.000 0.992 529 E CA 0.810 57.168 56.400 -0.070 0.000 0.804 529 E CB 0.008 29.727 29.700 0.032 0.000 0.741 529 E HN 0.081 nan 8.360 nan 0.000 0.458 530 V N 1.356 121.167 119.914 -0.170 0.000 2.287 530 V HA -0.281 3.839 4.120 -0.001 0.000 0.248 530 V C 2.249 178.192 176.094 -0.252 0.000 1.053 530 V CA 1.685 63.864 62.300 -0.202 0.000 1.027 530 V CB -0.431 31.239 31.823 -0.255 0.000 0.646 530 V HN 0.287 nan 8.190 nan 0.000 0.447 531 L N -0.337 120.658 121.223 -0.381 0.000 2.156 531 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 531 L C 2.517 179.254 176.870 -0.222 0.000 1.095 531 L CA 1.302 55.943 54.840 -0.332 0.000 0.770 531 L CB -0.617 41.183 42.059 -0.433 0.000 0.914 531 L HN 0.292 nan 8.230 nan 0.000 0.439 532 K N 0.790 121.068 120.400 -0.205 0.000 2.057 532 K HA -0.142 4.177 4.320 -0.001 0.000 0.207 532 K C 1.872 178.413 176.600 -0.098 0.000 1.049 532 K CA 1.458 57.653 56.287 -0.154 0.000 0.931 532 K CB -0.157 32.264 32.500 -0.132 0.000 0.714 532 K HN 0.178 nan 8.250 nan 0.000 0.440 533 N N 0.306 118.959 118.700 -0.079 0.000 2.171 533 N HA -0.081 4.659 4.740 -0.001 0.000 0.184 533 N C 1.645 177.128 175.510 -0.046 0.000 1.021 533 N CA 1.242 54.267 53.050 -0.041 0.000 0.854 533 N CB -0.289 38.188 38.487 -0.017 0.000 0.994 533 N HN 0.329 nan 8.380 nan 0.000 0.426 534 A N 1.096 123.873 122.820 -0.072 0.000 1.873 534 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 534 A C 2.404 179.958 177.584 -0.049 0.000 1.193 534 A CA 2.441 54.440 52.037 -0.063 0.000 0.629 534 A CB -0.996 17.951 19.000 -0.089 0.000 0.826 534 A HN 0.242 nan 8.150 nan 0.000 0.447 535 V N -2.878 116.997 119.914 -0.065 0.000 2.951 535 V HA 0.126 4.246 4.120 -0.001 0.000 0.255 535 V C 0.624 176.699 176.094 -0.032 0.000 1.088 535 V CA 2.039 64.311 62.300 -0.047 0.000 1.109 535 V CB -0.147 31.639 31.823 -0.062 0.000 0.724 535 V HN 0.471 nan 8.190 nan 0.000 0.471 536 D N -0.179 120.200 120.400 -0.034 0.000 2.849 536 D HA 0.367 5.007 4.640 -0.001 0.000 0.314 536 D C -1.662 174.645 176.300 0.011 0.000 1.210 536 D CA -1.839 52.154 54.000 -0.012 0.000 0.756 536 D CB 1.202 41.989 40.800 -0.021 0.000 1.222 536 D HN 0.172 nan 8.370 nan 0.000 0.521 537 P HA -0.198 nan 4.420 nan 0.000 0.218 537 P C 0.983 178.309 177.300 0.044 0.000 1.165 537 P CA 1.216 64.327 63.100 0.019 0.000 0.922 537 P CB 0.210 31.918 31.700 0.013 0.000 0.794 538 N N -1.466 117.266 118.700 0.053 0.000 2.550 538 N HA -0.005 4.734 4.740 -0.001 0.000 0.186 538 N C 1.319 176.906 175.510 0.129 0.000 1.110 538 N CA 1.407 54.507 53.050 0.083 0.000 0.912 538 N CB -0.782 37.756 38.487 0.086 0.000 0.968 538 N HN 0.251 nan 8.380 nan 0.000 0.448 539 G N 1.052 109.922 108.800 0.117 0.000 2.258 539 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.274 539 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.274 539 G C 0.885 175.869 174.900 0.141 0.000 1.021 539 G CA 0.161 45.350 45.100 0.148 0.000 0.798 539 G HN 0.265 nan 8.290 nan 0.000 0.507 540 I N -0.015 120.624 120.570 0.115 0.000 2.353 540 I HA 0.104 4.273 4.170 -0.001 0.000 0.248 540 I C 1.928 178.092 176.117 0.079 0.000 1.119 540 I CA 0.520 61.900 61.300 0.134 0.000 1.417 540 I CB -0.492 37.587 38.000 0.132 0.000 1.078 540 I HN 0.289 nan 8.210 nan 0.000 0.421 541 I N 2.138 122.715 120.570 0.011 0.000 2.294 541 I HA 0.157 4.327 4.170 -0.001 0.000 0.295 541 I C 0.728 176.771 176.117 -0.123 0.000 1.098 541 I CA -0.445 60.822 61.300 -0.055 0.000 1.277 541 I CB 0.140 38.090 38.000 -0.083 0.000 1.434 541 I HN 0.158 nan 8.210 nan 0.000 0.498 542 A N 8.342 131.097 122.820 -0.108 0.000 1.633 542 A HA -0.150 4.170 4.320 -0.001 0.000 0.227 542 A C -2.348 175.113 177.584 -0.205 0.000 1.186 542 A CA -0.378 51.584 52.037 -0.123 0.000 0.751 542 A CB -1.372 17.329 19.000 -0.498 0.000 1.172 542 A HN 0.456 nan 8.150 nan 0.000 0.257 543 P HA 0.476 nan 4.420 nan 0.000 0.284 543 P C 1.057 177.902 177.300 -0.759 0.000 1.253 543 P CA 1.067 63.881 63.100 -0.476 0.000 0.800 543 P CB 1.390 32.657 31.700 -0.722 0.000 0.961 544 G N 1.684 109.733 108.800 -1.253 0.000 2.213 544 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.236 544 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.236 544 G C 0.312 174.710 174.900 -0.836 0.000 0.991 544 G CA 0.247 44.136 45.100 -2.018 0.000 0.629 544 G HN 0.732 nan 8.290 nan 0.000 0.517 545 K N 1.387 121.521 120.400 -0.444 0.000 2.485 545 K HA 0.460 4.779 4.320 -0.001 0.000 0.277 545 K C 1.331 177.766 176.600 -0.275 0.000 0.990 545 K CA 1.146 57.284 56.287 -0.248 0.000 0.994 545 K CB 0.156 32.479 32.500 -0.295 0.000 0.906 545 K HN 0.801 nan 8.250 nan 0.000 0.488 546 S N 2.149 117.740 115.700 -0.181 0.000 3.358 546 S HA -0.197 4.273 4.470 -0.001 0.000 0.309 546 S C 0.778 175.318 174.600 -0.100 0.000 1.247 546 S CA 1.307 59.429 58.200 -0.131 0.000 0.961 546 S CB -2.064 61.045 63.200 -0.153 0.000 1.074 546 S HN 1.443 nan 8.310 nan 0.000 0.625 547 G N -1.135 107.562 108.800 -0.172 0.000 2.176 547 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.252 547 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.252 547 G C -0.052 174.717 174.900 -0.218 0.000 1.024 547 G CA 0.089 45.101 45.100 -0.147 0.000 0.755 547 G HN 1.163 nan 8.290 nan 0.000 0.507 548 V N -0.274 119.425 119.914 -0.358 0.000 2.435 548 V HA 0.777 4.896 4.120 -0.001 0.000 0.290 548 V C -0.092 175.825 176.094 -0.294 0.000 1.030 548 V CA -0.573 61.589 62.300 -0.229 0.000 0.881 548 V CB 1.123 32.825 31.823 -0.201 0.000 0.983 548 V HN 0.327 nan 8.190 nan 0.000 0.445 549 W N 5.380 126.715 121.300 0.059 0.000 2.819 549 W HA 0.575 5.234 4.660 -0.001 0.000 0.337 549 W C -2.301 174.257 176.519 0.066 0.000 1.077 549 W CA -2.195 55.177 57.345 0.045 0.000 1.226 549 W CB 1.298 30.876 29.460 0.196 0.000 1.419 549 W HN 0.305 nan 8.180 nan 0.000 0.502 550 P HA -0.019 nan 4.420 nan 0.000 0.269 550 P C 0.906 178.361 177.300 0.260 0.000 1.215 550 P CA 0.352 63.577 63.100 0.207 0.000 0.780 550 P CB 1.251 33.072 31.700 0.202 0.000 0.898 551 S N 2.304 118.089 115.700 0.143 0.000 2.381 551 S HA -0.323 4.146 4.470 -0.001 0.000 0.230 551 S C 1.765 176.408 174.600 0.072 0.000 1.052 551 S CA 1.573 59.819 58.200 0.076 0.000 1.068 551 S CB -1.406 61.813 63.200 0.032 0.000 0.918 551 S HN 0.618 nan 8.310 nan 0.000 0.448 552 Q N 0.539 120.402 119.800 0.106 0.000 2.268 552 Q HA -0.144 4.195 4.340 -0.001 0.000 0.210 552 Q C -0.145 175.769 176.000 -0.143 0.000 0.988 552 Q CA 1.127 56.939 55.803 0.015 0.000 0.883 552 Q CB -0.932 27.832 28.738 0.043 0.000 0.911 552 Q HN 0.738 nan 8.270 nan 0.000 0.430 553 Y N 1.201 121.520 120.300 0.033 0.000 2.328 553 Y HA 0.309 4.859 4.550 -0.001 0.000 0.337 553 Y C 0.500 176.396 175.900 -0.007 0.000 1.008 553 Y CA -0.886 57.219 58.100 0.008 0.000 1.129 553 Y CB 1.650 40.055 38.460 -0.091 0.000 1.185 553 Y HN -0.050 nan 8.280 nan 0.000 0.476 554 S N 2.410 118.231 115.700 0.202 0.000 2.580 554 S HA 0.083 4.552 4.470 -0.001 0.000 0.274 554 S C 0.955 175.562 174.600 0.012 0.000 1.329 554 S CA -0.456 57.760 58.200 0.027 0.000 1.036 554 S CB 0.484 63.681 63.200 -0.003 0.000 0.919 554 S HN 0.723 nan 8.310 nan 0.000 0.515 555 H N 3.434 122.476 119.070 -0.045 0.000 2.307 555 H HA -0.012 4.544 4.556 -0.001 0.000 0.303 555 H C 2.196 177.463 175.328 -0.101 0.000 1.073 555 H CA 1.739 57.736 56.048 -0.086 0.000 1.338 555 H CB -0.920 28.852 29.762 0.017 0.000 1.389 555 H HN 0.461 nan 8.280 nan 0.000 0.503 556 V N 0.807 120.756 119.914 0.059 0.000 2.278 556 V HA -0.294 3.825 4.120 -0.001 0.000 0.251 556 V C 2.384 178.386 176.094 -0.153 0.000 1.062 556 V CA 2.466 64.748 62.300 -0.030 0.000 1.038 556 V CB -1.014 30.787 31.823 -0.037 0.000 0.646 556 V HN 0.479 nan 8.190 nan 0.000 0.447 557 T N -1.757 112.649 114.554 -0.248 0.000 2.904 557 T HA -0.163 4.187 4.350 -0.001 0.000 0.267 557 T C 1.464 175.609 174.700 -0.925 0.000 1.059 557 T CA 1.700 63.457 62.100 -0.572 0.000 1.137 557 T CB -0.280 68.220 68.868 -0.613 0.000 0.879 557 T HN 0.631 nan 8.240 nan 0.000 0.467 558 W N 1.456 122.590 121.300 -0.277 0.000 2.601 558 W HA 0.296 4.956 4.660 -0.001 0.000 0.292 558 W C 1.270 177.704 176.519 -0.143 0.000 1.153 558 W CA -0.522 56.558 57.345 -0.441 0.000 1.448 558 W CB -0.138 28.478 29.460 -1.406 0.000 1.113 558 W HN -0.043 nan 8.180 nan 0.000 0.548 559 K N 0.901 121.371 120.400 0.117 0.000 2.186 559 K HA 0.162 4.482 4.320 -0.001 0.000 0.250 559 K C -0.060 176.699 176.600 0.264 0.000 1.044 559 K CA 0.485 56.954 56.287 0.304 0.000 0.795 559 K CB -0.101 32.514 32.500 0.191 0.000 1.052 559 K HN -0.008 nan 8.250 nan 0.000 0.535 560 L N 0.000 121.365 121.223 0.236 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 560 L CA 0.000 54.933 54.840 0.155 0.000 0.813 560 L CB 0.000 42.160 42.059 0.168 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502