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 1eyy_1_C DATA FIRST_RESID 7 DATA SEQUENCE NVFYATNAFT GEALPLAFPV HTEVEVNQAA TAAAKVARDF RRLNNSKRAS DATA SEQUENCE LLRTIASELE ARSDDIIARA HLETALPEVR LTGEIARTAN QLRLFADVVN DATA SEQUENCE SGSYHQAILD TPNPTRAPLP KPDIRRQQIA LGPVAVFGAS NFPLAFSAAG DATA SEQUENCE GDTASALAAG CPVIVKGHTA HPGTSQIVAE CIEQALKQEQ LPQAIFTLLQ DATA SEQUENCE GNQRALGQAL VSHPEIKAVG FTGSVGGGRA LFNLAHERPE PIPFYGELGA DATA SEQUENCE INPTFIFPSA MRAKADLADQ FVASMTMGCG QFCTKPGVVF ALNTPETQAF DATA SEQUENCE IETAQSLIRQ QSPSTLLTPG IRDSYQSQVV SRGSDDGIDV TFSQAESPCV DATA SEQUENCE ASALFVTSSE NWRKHPAWEE EIFGPQSLIV VCENVADMLS LSEMLAGSLT DATA SEQUENCE ATIHATEEDY PQVSQLIPRL EEIAGRLVFN GWPTGVEVGY AMVHGGPYPA DATA SEQUENCE STHSASTSVG AEAIHRWLRP VAYQALPESL LPDSLKAENP LEIARAVDGK DATA SEQUENCE AA 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.534 175.510 0.040 0.000 1.280 7 N CA 0.000 53.073 53.050 0.039 0.000 0.885 7 N CB 0.000 38.510 38.487 0.038 0.000 1.341 8 V N -0.258 119.688 119.914 0.054 0.000 3.181 8 V HA 0.902 4.892 4.120 -0.218 0.000 0.307 8 V C -1.303 174.878 176.094 0.145 0.000 1.310 8 V CA -0.729 61.592 62.300 0.035 0.000 1.067 8 V CB 1.787 33.519 31.823 -0.151 0.000 1.081 8 V HN 0.505 nan 8.190 nan 0.000 0.453 9 F N -1.087 118.748 119.950 -0.191 0.000 2.686 9 F HA 0.919 5.315 4.527 -0.220 0.000 0.311 9 F C -1.936 173.737 175.800 -0.211 0.000 1.128 9 F CA -1.557 56.392 58.000 -0.085 0.000 0.946 9 F CB 1.267 40.281 39.000 0.024 0.000 1.336 9 F HN 0.594 nan 8.300 nan 0.000 0.457 10 Y N 1.171 121.511 120.300 0.067 0.000 2.524 10 Y HA 0.764 5.183 4.550 -0.219 0.000 0.344 10 Y C 0.385 176.362 175.900 0.129 0.000 1.012 10 Y CA -1.075 57.029 58.100 0.007 0.000 1.068 10 Y CB 1.879 40.351 38.460 0.019 0.000 1.249 10 Y HN 1.020 nan 8.280 nan 0.000 0.468 11 A N 0.849 123.853 122.820 0.307 0.000 2.386 11 A HA 0.538 4.728 4.320 -0.218 0.000 0.248 11 A C -0.220 177.487 177.584 0.206 0.000 1.082 11 A CA -0.286 51.890 52.037 0.231 0.000 0.789 11 A CB -0.043 19.077 19.000 0.201 0.000 1.025 11 A HN 0.691 nan 8.150 nan 0.000 0.490 12 T N 2.534 117.181 114.554 0.154 0.000 2.767 12 T HA 0.196 4.416 4.350 -0.218 0.000 0.284 12 T C 0.333 175.074 174.700 0.068 0.000 0.973 12 T CA -0.513 61.653 62.100 0.109 0.000 0.996 12 T CB 0.391 69.316 68.868 0.093 0.000 0.927 12 T HN 0.671 nan 8.240 nan 0.000 0.456 13 N N 2.316 121.054 118.700 0.064 0.000 2.438 13 N HA 0.048 4.658 4.740 -0.218 0.000 0.267 13 N C 1.219 176.727 175.510 -0.004 0.000 1.222 13 N CA -0.179 52.904 53.050 0.054 0.000 0.930 13 N CB 0.942 39.481 38.487 0.087 0.000 1.083 13 N HN 0.737 nan 8.380 nan 0.000 0.476 14 A N 4.292 127.038 122.820 -0.122 0.000 2.076 14 A HA -0.120 4.070 4.320 -0.218 0.000 0.220 14 A C 1.389 178.775 177.584 -0.331 0.000 1.160 14 A CA 1.090 52.955 52.037 -0.286 0.000 0.653 14 A CB -0.407 18.293 19.000 -0.499 0.000 0.801 14 A HN 0.697 nan 8.150 nan 0.000 0.455 15 F N -0.381 119.538 119.950 -0.051 0.000 2.619 15 F HA 0.041 4.435 4.527 -0.221 0.000 0.293 15 F C 2.534 178.321 175.800 -0.021 0.000 1.119 15 F CA 1.497 59.471 58.000 -0.043 0.000 1.445 15 F CB -0.016 38.950 39.000 -0.057 0.000 1.119 15 F HN 0.326 nan 8.300 nan 0.000 0.573 16 T N -5.141 109.505 114.554 0.153 0.000 2.955 16 T HA 0.448 4.667 4.350 -0.218 0.000 0.251 16 T C 1.812 176.545 174.700 0.056 0.000 1.002 16 T CA 0.592 62.748 62.100 0.093 0.000 0.970 16 T CB 0.493 69.409 68.868 0.080 0.000 1.091 16 T HN 0.309 nan 8.240 nan 0.000 0.495 17 G N 1.318 110.146 108.800 0.046 0.000 2.199 17 G HA2 -0.205 3.625 3.960 -0.218 0.000 0.254 17 G HA3 -0.205 3.625 3.960 -0.218 0.000 0.254 17 G C -0.050 174.874 174.900 0.041 0.000 0.982 17 G CA 0.169 45.291 45.100 0.038 0.000 0.632 17 G HN 0.606 nan 8.290 nan 0.000 0.529 18 E N 0.460 120.684 120.200 0.040 0.000 2.314 18 E HA 0.631 4.850 4.350 -0.218 0.000 0.262 18 E C 0.795 177.416 176.600 0.036 0.000 1.093 18 E CA 0.166 56.583 56.400 0.028 0.000 0.908 18 E CB 1.176 30.886 29.700 0.016 0.000 1.091 18 E HN 0.729 nan 8.360 nan 0.000 0.425 19 A N 1.706 124.534 122.820 0.012 0.000 2.407 19 A HA 0.364 4.553 4.320 -0.218 0.000 0.248 19 A C -0.008 177.590 177.584 0.023 0.000 1.082 19 A CA -0.218 51.833 52.037 0.023 0.000 0.785 19 A CB 0.152 19.103 19.000 -0.082 0.000 1.020 19 A HN 0.477 nan 8.150 nan 0.000 0.489 20 L N 3.096 124.375 121.223 0.093 0.000 2.360 20 L HA 0.421 4.631 4.340 -0.218 0.000 0.271 20 L C -1.665 175.273 176.870 0.113 0.000 1.057 20 L CA -2.044 52.854 54.840 0.098 0.000 0.803 20 L CB 1.533 43.673 42.059 0.136 0.000 1.207 20 L HN 0.574 nan 8.230 nan 0.000 0.445 21 P HA 0.159 nan 4.420 nan 0.000 0.271 21 P C -0.906 176.435 177.300 0.069 0.000 1.233 21 P CA -0.183 62.955 63.100 0.063 0.000 0.789 21 P CB 0.748 32.463 31.700 0.024 0.000 0.951 22 L N -2.804 118.424 121.223 0.009 0.000 1.997 22 L HA -0.104 4.106 4.340 -0.218 0.000 0.543 22 L C -0.134 176.328 176.870 -0.679 0.000 1.001 22 L CA -0.309 54.354 54.840 -0.294 0.000 1.210 22 L CB -1.654 40.195 42.059 -0.350 0.000 1.886 22 L HN 0.626 nan 8.230 nan 0.000 0.996 23 A N 4.056 126.407 122.820 -0.781 0.000 2.304 23 A HA 0.908 5.097 4.320 -0.218 0.000 0.301 23 A C -0.801 176.052 177.584 -1.217 0.000 1.132 23 A CA -0.112 51.197 52.037 -1.213 0.000 0.819 23 A CB 0.521 19.017 19.000 -0.840 0.000 1.094 23 A HN 0.388 nan 8.150 nan 0.000 0.492 24 F N 2.029 121.544 119.950 -0.725 0.000 2.508 24 F HA 0.522 4.919 4.527 -0.217 0.000 0.325 24 F C -1.984 173.611 175.800 -0.343 0.000 1.090 24 F CA -2.438 55.224 58.000 -0.564 0.000 0.945 24 F CB 2.038 40.525 39.000 -0.856 0.000 1.156 24 F HN 0.353 nan 8.300 nan 0.000 0.463 25 P HA 0.115 nan 4.420 nan 0.000 0.274 25 P C -0.742 176.527 177.300 -0.052 0.000 1.231 25 P CA -0.151 62.886 63.100 -0.105 0.000 0.790 25 P CB 1.614 33.176 31.700 -0.230 0.000 0.951 26 V N 3.937 123.844 119.914 -0.012 0.000 2.270 26 V HA 0.157 4.147 4.120 -0.218 0.000 0.263 26 V C 0.662 176.744 176.094 -0.021 0.000 1.066 26 V CA -0.356 61.938 62.300 -0.011 0.000 0.857 26 V CB -1.161 30.672 31.823 0.018 0.000 1.099 26 V HN 0.546 nan 8.190 nan 0.000 0.476 27 H N 2.492 121.586 119.070 0.040 0.000 2.690 27 H HA 0.500 4.926 4.556 -0.217 0.000 0.365 27 H C 0.844 176.169 175.328 -0.006 0.000 1.142 27 H CA 0.300 56.354 56.048 0.011 0.000 1.417 27 H CB 1.218 30.978 29.762 -0.003 0.000 1.446 27 H HN 0.725 nan 8.280 nan 0.000 0.599 28 T N -2.144 112.493 114.554 0.139 0.000 2.693 28 T HA 0.104 4.324 4.350 -0.218 0.000 0.278 28 T C 1.199 175.924 174.700 0.040 0.000 0.994 28 T CA -0.876 61.264 62.100 0.067 0.000 1.033 28 T CB 1.294 70.192 68.868 0.050 0.000 1.342 28 T HN 0.740 nan 8.240 nan 0.000 0.538 29 E N -0.200 120.021 120.200 0.035 0.000 2.187 29 E HA -0.169 4.050 4.350 -0.218 0.000 0.199 29 E C 1.850 178.465 176.600 0.025 0.000 1.004 29 E CA 1.708 58.130 56.400 0.037 0.000 0.813 29 E CB -0.433 29.290 29.700 0.038 0.000 0.736 29 E HN 0.472 nan 8.360 nan 0.000 0.468 30 V N 0.853 120.777 119.914 0.016 0.000 2.255 30 V HA -0.271 3.719 4.120 -0.218 0.000 0.247 30 V C 2.080 178.154 176.094 -0.034 0.000 1.051 30 V CA 2.386 64.687 62.300 0.002 0.000 1.018 30 V CB -0.573 31.255 31.823 0.008 0.000 0.641 30 V HN 0.273 nan 8.190 nan 0.000 0.445 31 E N -0.150 120.013 120.200 -0.063 0.000 2.204 31 E HA -0.115 4.104 4.350 -0.218 0.000 0.194 31 E C 2.062 178.560 176.600 -0.171 0.000 0.989 31 E CA 0.861 57.164 56.400 -0.162 0.000 0.824 31 E CB -0.438 29.064 29.700 -0.331 0.000 0.756 31 E HN 0.425 nan 8.360 nan 0.000 0.477 32 V N 1.687 121.535 119.914 -0.111 0.000 2.261 32 V HA -0.302 3.688 4.120 -0.218 0.000 0.246 32 V C 1.696 177.682 176.094 -0.181 0.000 1.047 32 V CA 1.949 64.175 62.300 -0.123 0.000 1.015 32 V CB -0.564 31.244 31.823 -0.026 0.000 0.642 32 V HN 0.297 nan 8.190 nan 0.000 0.446 33 N N 0.090 118.750 118.700 -0.067 0.000 2.104 33 N HA -0.206 4.404 4.740 -0.218 0.000 0.190 33 N C 1.903 177.344 175.510 -0.114 0.000 1.024 33 N CA 1.550 54.581 53.050 -0.031 0.000 0.853 33 N CB -0.398 38.150 38.487 0.101 0.000 1.008 33 N HN 0.617 nan 8.380 nan 0.000 0.424 34 Q N 0.299 120.036 119.800 -0.106 0.000 2.046 34 Q HA 0.032 4.242 4.340 -0.218 0.000 0.200 34 Q C 2.188 178.095 176.000 -0.154 0.000 0.975 34 Q CA 1.522 57.259 55.803 -0.109 0.000 0.836 34 Q CB -0.203 28.474 28.738 -0.101 0.000 0.896 34 Q HN 0.404 nan 8.270 nan 0.000 0.428 35 A N 1.353 124.053 122.820 -0.199 0.000 1.865 35 A HA -0.170 4.020 4.320 -0.218 0.000 0.217 35 A C 2.342 179.779 177.584 -0.245 0.000 1.191 35 A CA 1.802 53.705 52.037 -0.224 0.000 0.623 35 A CB -0.977 17.870 19.000 -0.256 0.000 0.826 35 A HN 0.407 nan 8.150 nan 0.000 0.444 36 A N -1.203 121.415 122.820 -0.337 0.000 1.902 36 A HA -0.093 4.096 4.320 -0.218 0.000 0.217 36 A C 2.314 179.745 177.584 -0.254 0.000 1.181 36 A CA 2.354 54.152 52.037 -0.399 0.000 0.623 36 A CB -1.328 17.130 19.000 -0.903 0.000 0.818 36 A HN 0.441 nan 8.150 nan 0.000 0.443 37 T N 0.207 114.638 114.554 -0.205 0.000 2.746 37 T HA -0.026 4.193 4.350 -0.218 0.000 0.267 37 T C 2.206 176.861 174.700 -0.075 0.000 1.039 37 T CA 1.642 63.693 62.100 -0.080 0.000 1.142 37 T CB -0.413 68.431 68.868 -0.039 0.000 0.866 37 T HN 0.597 nan 8.240 nan 0.000 0.444 38 A N 1.313 124.073 122.820 -0.099 0.000 1.898 38 A HA 0.241 4.430 4.320 -0.218 0.000 0.216 38 A C 2.643 180.170 177.584 -0.096 0.000 1.181 38 A CA 1.698 53.682 52.037 -0.088 0.000 0.620 38 A CB -1.081 17.860 19.000 -0.098 0.000 0.819 38 A HN 0.491 nan 8.150 nan 0.000 0.442 39 A N 0.072 122.816 122.820 -0.127 0.000 1.883 39 A HA 0.111 4.301 4.320 -0.218 0.000 0.217 39 A C 2.519 180.054 177.584 -0.081 0.000 1.186 39 A CA 2.246 54.205 52.037 -0.131 0.000 0.624 39 A CB -1.104 17.797 19.000 -0.165 0.000 0.822 39 A HN 1.096 nan 8.150 nan 0.000 0.444 40 A N -0.353 122.429 122.820 -0.063 0.000 1.940 40 A HA -0.202 3.987 4.320 -0.218 0.000 0.219 40 A C 2.121 179.700 177.584 -0.008 0.000 1.176 40 A CA 2.076 54.100 52.037 -0.021 0.000 0.631 40 A CB -0.477 18.520 19.000 -0.004 0.000 0.814 40 A HN 0.567 nan 8.150 nan 0.000 0.446 41 K N -0.045 120.344 120.400 -0.019 0.000 2.209 41 K HA -0.099 4.090 4.320 -0.218 0.000 0.204 41 K C 1.383 177.983 176.600 0.000 0.000 1.048 41 K CA 1.665 57.947 56.287 -0.008 0.000 0.940 41 K CB -0.167 32.322 32.500 -0.017 0.000 0.729 41 K HN 0.505 nan 8.250 nan 0.000 0.451 42 V N -3.620 116.287 119.914 -0.011 0.000 3.578 42 V HA 0.350 4.339 4.120 -0.218 0.000 0.290 42 V C 1.659 177.788 176.094 0.058 0.000 1.376 42 V CA 0.503 62.808 62.300 0.008 0.000 1.083 42 V CB 0.182 31.981 31.823 -0.040 0.000 0.911 42 V HN 0.182 nan 8.190 nan 0.000 0.433 43 A N 1.611 124.463 122.820 0.053 0.000 1.865 43 A HA -0.223 3.966 4.320 -0.218 0.000 0.217 43 A C 2.405 180.072 177.584 0.138 0.000 1.191 43 A CA 2.383 54.483 52.037 0.106 0.000 0.623 43 A CB -0.639 18.401 19.000 0.067 0.000 0.826 43 A HN 0.582 nan 8.150 nan 0.000 0.444 44 R N -0.512 120.045 120.500 0.095 0.000 2.080 44 R HA -0.180 4.030 4.340 -0.218 0.000 0.236 44 R C 1.581 177.941 176.300 0.101 0.000 1.137 44 R CA 1.977 58.128 56.100 0.086 0.000 0.943 44 R CB -0.411 29.927 30.300 0.063 0.000 0.846 44 R HN 0.477 nan 8.270 nan 0.000 0.431 45 D N -0.287 120.179 120.400 0.109 0.000 2.178 45 D HA -0.177 4.333 4.640 -0.218 0.000 0.201 45 D C 1.584 177.989 176.300 0.174 0.000 0.980 45 D CA 0.914 54.984 54.000 0.116 0.000 0.842 45 D CB -0.228 40.633 40.800 0.102 0.000 0.948 45 D HN 0.194 nan 8.370 nan 0.000 0.472 46 F N 2.251 122.214 119.950 0.022 0.000 2.146 46 F HA -0.108 4.289 4.527 -0.218 0.000 0.298 46 F C 2.294 178.116 175.800 0.038 0.000 1.096 46 F CA 1.226 59.240 58.000 0.024 0.000 1.275 46 F CB -0.108 38.898 39.000 0.010 0.000 1.008 46 F HN -0.090 nan 8.300 nan 0.000 0.480 47 R N -0.060 120.438 120.500 -0.003 0.000 2.236 47 R HA 0.023 4.233 4.340 -0.218 0.000 0.208 47 R C 1.750 178.030 176.300 -0.034 0.000 1.036 47 R CA 1.052 57.094 56.100 -0.096 0.000 1.001 47 R CB -0.554 29.741 30.300 -0.009 0.000 0.896 47 R HN 0.191 nan 8.270 nan 0.000 0.464 48 R N 0.748 121.257 120.500 0.014 0.000 2.317 48 R HA 0.255 4.464 4.340 -0.218 0.000 0.208 48 R C 0.167 176.484 176.300 0.029 0.000 0.914 48 R CA -0.196 55.926 56.100 0.036 0.000 1.060 48 R CB 0.059 30.389 30.300 0.049 0.000 1.015 48 R HN 0.151 nan 8.270 nan 0.000 0.498 49 L N 1.623 122.846 121.223 -0.001 0.000 2.482 49 L HA -0.007 4.202 4.340 -0.218 0.000 0.273 49 L C 0.542 177.419 176.870 0.013 0.000 1.228 49 L CA -0.135 54.709 54.840 0.006 0.000 0.827 49 L CB 0.145 42.191 42.059 -0.021 0.000 1.099 49 L HN 0.131 nan 8.230 nan 0.000 0.494 50 N N 1.490 120.204 118.700 0.022 0.000 2.479 50 N HA -0.012 4.598 4.740 -0.218 0.000 0.257 50 N C 0.679 176.201 175.510 0.020 0.000 1.232 50 N CA 0.146 53.214 53.050 0.030 0.000 0.920 50 N CB 0.431 38.932 38.487 0.023 0.000 1.105 50 N HN 0.536 nan 8.380 nan 0.000 0.444 51 N N 0.238 118.960 118.700 0.035 0.000 2.137 51 N HA -0.208 4.401 4.740 -0.218 0.000 0.190 51 N C 1.632 177.125 175.510 -0.029 0.000 1.017 51 N CA 1.466 54.511 53.050 -0.008 0.000 0.859 51 N CB 0.025 38.493 38.487 -0.031 0.000 1.002 51 N HN 0.574 nan 8.380 nan 0.000 0.428 52 S N 0.935 116.628 115.700 -0.011 0.000 2.383 52 S HA -0.121 4.219 4.470 -0.218 0.000 0.227 52 S C 1.855 176.455 174.600 -0.000 0.000 1.026 52 S CA 0.961 59.156 58.200 -0.009 0.000 0.981 52 S CB -0.125 63.074 63.200 -0.002 0.000 0.818 52 S HN 0.121 nan 8.310 nan 0.000 0.472 53 K N 1.719 122.123 120.400 0.006 0.000 2.025 53 K HA 0.102 4.292 4.320 -0.218 0.000 0.207 53 K C 2.396 179.009 176.600 0.022 0.000 1.049 53 K CA 1.360 57.658 56.287 0.019 0.000 0.933 53 K CB -0.504 32.013 32.500 0.027 0.000 0.714 53 K HN 0.390 nan 8.250 nan 0.000 0.438 54 R N -0.524 119.971 120.500 -0.007 0.000 2.115 54 R HA 0.015 4.224 4.340 -0.218 0.000 0.230 54 R C 2.038 178.343 176.300 0.008 0.000 1.111 54 R CA 1.164 57.253 56.100 -0.018 0.000 0.976 54 R CB -0.284 29.933 30.300 -0.138 0.000 0.870 54 R HN 0.310 nan 8.270 nan 0.000 0.445 55 A N -0.467 122.349 122.820 -0.006 0.000 1.898 55 A HA -0.162 4.027 4.320 -0.218 0.000 0.216 55 A C 2.080 179.673 177.584 0.015 0.000 1.181 55 A CA 1.808 53.846 52.037 0.001 0.000 0.620 55 A CB -0.718 18.271 19.000 -0.018 0.000 0.819 55 A HN 0.386 nan 8.150 nan 0.000 0.442 56 S N -0.599 115.110 115.700 0.015 0.000 2.368 56 S HA -0.165 4.174 4.470 -0.218 0.000 0.225 56 S C 1.959 176.575 174.600 0.026 0.000 1.030 56 S CA 1.580 59.791 58.200 0.018 0.000 0.999 56 S CB -0.503 62.708 63.200 0.018 0.000 0.844 56 S HN 0.546 nan 8.310 nan 0.000 0.459 57 L N 1.692 122.941 121.223 0.043 0.000 2.042 57 L HA -0.004 4.205 4.340 -0.218 0.000 0.210 57 L C 2.099 178.991 176.870 0.037 0.000 1.076 57 L CA 1.799 56.671 54.840 0.054 0.000 0.749 57 L CB -0.725 41.401 42.059 0.111 0.000 0.893 57 L HN 0.409 nan 8.230 nan 0.000 0.432 58 L N -0.866 120.383 121.223 0.044 0.000 2.083 58 L HA -0.172 4.038 4.340 -0.218 0.000 0.209 58 L C 2.768 179.650 176.870 0.019 0.000 1.083 58 L CA 1.233 56.095 54.840 0.036 0.000 0.752 58 L CB -0.544 41.551 42.059 0.061 0.000 0.899 58 L HN 0.258 nan 8.230 nan 0.000 0.433 59 R N -0.816 119.694 120.500 0.016 0.000 2.115 59 R HA -0.070 4.139 4.340 -0.218 0.000 0.226 59 R C 2.218 178.518 176.300 -0.000 0.000 1.100 59 R CA 1.583 57.688 56.100 0.007 0.000 0.980 59 R CB -0.533 29.771 30.300 0.006 0.000 0.875 59 R HN 0.325 nan 8.270 nan 0.000 0.445 60 T N 1.503 116.058 114.554 0.000 0.000 2.857 60 T HA -0.019 4.201 4.350 -0.218 0.000 0.266 60 T C 1.935 176.622 174.700 -0.021 0.000 1.048 60 T CA 0.883 62.978 62.100 -0.007 0.000 1.139 60 T CB -0.055 68.812 68.868 -0.002 0.000 0.874 60 T HN 0.127 nan 8.240 nan 0.000 0.455 61 I N 1.383 121.936 120.570 -0.029 0.000 2.226 61 I HA -0.174 3.865 4.170 -0.218 0.000 0.245 61 I C 2.922 179.011 176.117 -0.046 0.000 1.100 61 I CA 1.046 62.311 61.300 -0.058 0.000 1.374 61 I CB -0.468 37.483 38.000 -0.083 0.000 1.057 61 I HN 0.187 nan 8.210 nan 0.000 0.413 62 A N -0.087 122.717 122.820 -0.027 0.000 1.883 62 A HA -0.240 3.949 4.320 -0.218 0.000 0.217 62 A C 2.488 180.061 177.584 -0.018 0.000 1.186 62 A CA 2.400 54.426 52.037 -0.019 0.000 0.624 62 A CB -0.827 18.168 19.000 -0.008 0.000 0.822 62 A HN 0.376 nan 8.150 nan 0.000 0.444 63 S N -0.641 115.050 115.700 -0.015 0.000 2.368 63 S HA -0.120 4.220 4.470 -0.218 0.000 0.225 63 S C 1.976 176.566 174.600 -0.016 0.000 1.030 63 S CA 1.282 59.474 58.200 -0.012 0.000 0.999 63 S CB -0.289 62.906 63.200 -0.009 0.000 0.844 63 S HN 0.578 nan 8.310 nan 0.000 0.459 64 E N 1.239 121.425 120.200 -0.023 0.000 2.110 64 E HA -0.062 4.157 4.350 -0.218 0.000 0.193 64 E C 2.085 178.669 176.600 -0.026 0.000 0.988 64 E CA 0.598 56.983 56.400 -0.026 0.000 0.804 64 E CB -0.442 29.236 29.700 -0.037 0.000 0.745 64 E HN 0.463 nan 8.360 nan 0.000 0.458 65 L N 0.769 121.973 121.223 -0.031 0.000 2.017 65 L HA -0.201 4.009 4.340 -0.218 0.000 0.208 65 L C 2.342 179.204 176.870 -0.014 0.000 1.073 65 L CA 1.370 56.194 54.840 -0.026 0.000 0.745 65 L CB -0.389 41.652 42.059 -0.030 0.000 0.894 65 L HN 0.125 nan 8.230 nan 0.000 0.432 66 E N 0.016 120.209 120.200 -0.011 0.000 2.153 66 E HA -0.209 4.011 4.350 -0.218 0.000 0.194 66 E C 2.186 178.783 176.600 -0.005 0.000 0.988 66 E CA 1.057 57.453 56.400 -0.006 0.000 0.811 66 E CB -0.164 29.533 29.700 -0.005 0.000 0.746 66 E HN 0.503 nan 8.360 nan 0.000 0.466 67 A N 1.141 123.957 122.820 -0.007 0.000 2.067 67 A HA -0.086 4.104 4.320 -0.218 0.000 0.219 67 A C 1.787 179.369 177.584 -0.002 0.000 1.158 67 A CA 0.851 52.886 52.037 -0.004 0.000 0.661 67 A CB 0.043 19.040 19.000 -0.006 0.000 0.801 67 A HN -0.022 nan 8.150 nan 0.000 0.452 68 R N -0.210 120.288 120.500 -0.003 0.000 2.466 68 R HA 0.251 4.460 4.340 -0.218 0.000 0.279 68 R C 1.430 177.733 176.300 0.005 0.000 0.976 68 R CA 0.471 56.572 56.100 0.002 0.000 1.081 68 R CB -0.603 29.698 30.300 0.002 0.000 1.215 68 R HN 0.459 nan 8.270 nan 0.000 0.546 69 S N 1.720 117.422 115.700 0.002 0.000 2.378 69 S HA -0.215 4.125 4.470 -0.218 0.000 0.229 69 S C 1.153 175.757 174.600 0.006 0.000 1.052 69 S CA 1.980 60.182 58.200 0.003 0.000 1.084 69 S CB -0.066 63.134 63.200 0.001 0.000 0.950 69 S HN 0.352 nan 8.310 nan 0.000 0.440 70 D N 1.189 121.592 120.400 0.006 0.000 2.106 70 D HA -0.112 4.398 4.640 -0.218 0.000 0.191 70 D C 1.741 178.051 176.300 0.018 0.000 0.997 70 D CA 1.278 55.283 54.000 0.008 0.000 0.834 70 D CB -0.684 40.120 40.800 0.006 0.000 0.956 70 D HN 0.353 nan 8.370 nan 0.000 0.448 71 D N 0.501 120.914 120.400 0.021 0.000 2.104 71 D HA -0.114 4.395 4.640 -0.218 0.000 0.194 71 D C 2.403 178.726 176.300 0.039 0.000 0.994 71 D CA 0.476 54.495 54.000 0.032 0.000 0.830 71 D CB -0.379 40.439 40.800 0.030 0.000 0.959 71 D HN 0.292 nan 8.370 nan 0.000 0.452 72 I N 0.836 121.424 120.570 0.029 0.000 2.127 72 I HA -0.260 3.780 4.170 -0.218 0.000 0.241 72 I C 2.569 178.707 176.117 0.034 0.000 1.075 72 I CA 0.921 62.238 61.300 0.028 0.000 1.334 72 I CB -0.279 37.729 38.000 0.014 0.000 1.040 72 I HN -0.047 nan 8.210 nan 0.000 0.405 73 I N 0.816 121.404 120.570 0.029 0.000 2.127 73 I HA -0.319 3.721 4.170 -0.218 0.000 0.241 73 I C 2.859 179.021 176.117 0.076 0.000 1.075 73 I CA 1.512 62.833 61.300 0.036 0.000 1.334 73 I CB -0.514 37.492 38.000 0.010 0.000 1.040 73 I HN 0.217 nan 8.210 nan 0.000 0.405 74 A N 0.685 123.545 122.820 0.066 0.000 1.883 74 A HA -0.287 3.902 4.320 -0.218 0.000 0.217 74 A C 2.338 180.005 177.584 0.139 0.000 1.186 74 A CA 2.244 54.340 52.037 0.099 0.000 0.624 74 A CB -0.595 18.445 19.000 0.066 0.000 0.822 74 A HN 0.307 nan 8.150 nan 0.000 0.444 75 R N -0.082 120.480 120.500 0.103 0.000 2.066 75 R HA 0.036 4.245 4.340 -0.218 0.000 0.232 75 R C 2.195 178.554 176.300 0.098 0.000 1.131 75 R CA 1.915 58.078 56.100 0.104 0.000 0.955 75 R CB -0.891 29.466 30.300 0.094 0.000 0.851 75 R HN 0.384 nan 8.270 nan 0.000 0.432 76 A N -0.554 122.312 122.820 0.077 0.000 1.972 76 A HA -0.202 3.988 4.320 -0.218 0.000 0.219 76 A C 2.059 179.681 177.584 0.063 0.000 1.169 76 A CA 1.872 53.932 52.037 0.038 0.000 0.635 76 A CB -0.920 18.075 19.000 -0.008 0.000 0.810 76 A HN 0.653 nan 8.150 nan 0.000 0.446 77 H N 0.014 119.106 119.070 0.036 0.000 2.353 77 H HA -0.009 4.415 4.556 -0.220 0.000 0.300 77 H C 1.637 177.055 175.328 0.150 0.000 1.090 77 H CA 2.041 58.140 56.048 0.085 0.000 1.327 77 H CB -0.250 29.576 29.762 0.107 0.000 1.383 77 H HN 0.375 nan 8.280 nan 0.000 0.508 78 L N -0.169 121.086 121.223 0.052 0.000 2.240 78 L HA -0.039 4.170 4.340 -0.218 0.000 0.211 78 L C 2.159 179.014 176.870 -0.024 0.000 1.106 78 L CA 1.175 56.045 54.840 0.049 0.000 0.793 78 L CB -0.220 41.914 42.059 0.125 0.000 0.927 78 L HN 0.395 nan 8.230 nan 0.000 0.446 79 E N -0.668 119.526 120.200 -0.010 0.000 2.230 79 E HA -0.110 4.110 4.350 -0.218 0.000 0.192 79 E C 1.797 178.351 176.600 -0.078 0.000 0.987 79 E CA 1.541 57.936 56.400 -0.008 0.000 0.841 79 E CB 0.191 29.923 29.700 0.054 0.000 0.783 79 E HN 0.519 nan 8.360 nan 0.000 0.481 80 T N -3.778 110.690 114.554 -0.142 0.000 2.975 80 T HA 0.498 4.718 4.350 -0.218 0.000 0.257 80 T C 1.265 175.773 174.700 -0.320 0.000 1.003 80 T CA 0.370 62.359 62.100 -0.185 0.000 0.932 80 T CB 0.884 69.666 68.868 -0.143 0.000 1.087 80 T HN 0.119 nan 8.240 nan 0.000 0.512 81 A N 0.772 123.287 122.820 -0.508 0.000 3.396 81 A HA -0.118 4.072 4.320 -0.218 0.000 0.267 81 A C 0.327 177.784 177.584 -0.211 0.000 1.139 81 A CA 0.967 52.531 52.037 -0.789 0.000 1.115 81 A CB -2.652 15.740 19.000 -1.012 0.000 1.133 81 A HN 0.636 nan 8.150 nan 0.000 0.920 82 L N 1.524 122.693 121.223 -0.090 0.000 2.416 82 L HA 0.306 4.516 4.340 -0.218 0.000 0.272 82 L C -1.412 175.592 176.870 0.223 0.000 1.161 82 L CA -1.649 53.199 54.840 0.013 0.000 0.845 82 L CB 0.322 42.341 42.059 -0.066 0.000 1.119 82 L HN 0.220 nan 8.230 nan 0.000 0.464 83 P HA 0.006 nan 4.420 nan 0.000 0.269 83 P C -0.026 177.313 177.300 0.064 0.000 1.209 83 P CA -0.116 63.086 63.100 0.170 0.000 0.776 83 P CB 0.770 32.522 31.700 0.087 0.000 0.876 84 E N 0.930 121.082 120.200 -0.081 0.000 2.118 84 E HA -0.150 4.069 4.350 -0.218 0.000 0.195 84 E C 1.730 178.305 176.600 -0.043 0.000 0.992 84 E CA 0.927 57.263 56.400 -0.106 0.000 0.804 84 E CB -0.327 29.248 29.700 -0.208 0.000 0.741 84 E HN 0.212 nan 8.360 nan 0.000 0.458 85 V N 1.496 121.391 119.914 -0.030 0.000 2.407 85 V HA -0.276 3.714 4.120 -0.218 0.000 0.248 85 V C 2.448 178.546 176.094 0.007 0.000 1.055 85 V CA 2.233 64.527 62.300 -0.010 0.000 1.049 85 V CB -0.206 31.614 31.823 -0.006 0.000 0.662 85 V HN 0.151 nan 8.190 nan 0.000 0.455 86 R N 0.304 120.812 120.500 0.012 0.000 2.075 86 R HA -0.049 4.161 4.340 -0.218 0.000 0.232 86 R C 1.997 178.299 176.300 0.003 0.000 1.126 86 R CA 2.181 58.291 56.100 0.016 0.000 0.963 86 R CB -1.094 29.208 30.300 0.004 0.000 0.858 86 R HN 0.520 nan 8.270 nan 0.000 0.435 87 L N 0.109 121.329 121.223 -0.005 0.000 2.131 87 L HA -0.104 4.106 4.340 -0.218 0.000 0.210 87 L C 2.170 179.043 176.870 0.005 0.000 1.092 87 L CA 1.809 56.644 54.840 -0.008 0.000 0.759 87 L CB -0.632 41.429 42.059 0.003 0.000 0.903 87 L HN 0.289 nan 8.230 nan 0.000 0.435 88 T N -0.435 114.122 114.554 0.005 0.000 2.788 88 T HA -0.120 4.100 4.350 -0.218 0.000 0.268 88 T C 1.807 176.519 174.700 0.021 0.000 1.044 88 T CA 1.381 63.485 62.100 0.007 0.000 1.139 88 T CB -0.406 68.463 68.868 0.000 0.000 0.867 88 T HN 0.565 nan 8.240 nan 0.000 0.454 89 G N 0.496 109.315 108.800 0.031 0.000 2.421 89 G HA2 -0.120 3.710 3.960 -0.218 0.000 0.217 89 G HA3 -0.120 3.710 3.960 -0.218 0.000 0.217 89 G C 1.379 176.320 174.900 0.068 0.000 1.143 89 G CA 0.446 45.576 45.100 0.051 0.000 0.784 89 G HN 0.499 nan 8.290 nan 0.000 0.541 90 E N -0.103 120.137 120.200 0.067 0.000 2.152 90 E HA -0.046 4.173 4.350 -0.218 0.000 0.192 90 E C 2.399 179.039 176.600 0.066 0.000 0.983 90 E CA 0.184 56.642 56.400 0.095 0.000 0.818 90 E CB -0.010 29.738 29.700 0.079 0.000 0.758 90 E HN 0.276 nan 8.360 nan 0.000 0.467 91 I N 1.133 121.725 120.570 0.037 0.000 2.179 91 I HA -0.247 3.793 4.170 -0.218 0.000 0.242 91 I C 2.511 178.641 176.117 0.022 0.000 1.088 91 I CA 1.282 62.596 61.300 0.023 0.000 1.357 91 I CB -1.348 36.659 38.000 0.012 0.000 1.051 91 I HN 0.119 nan 8.210 nan 0.000 0.409 92 A N 0.715 123.551 122.820 0.026 0.000 1.902 92 A HA -0.243 3.947 4.320 -0.218 0.000 0.217 92 A C 2.544 180.141 177.584 0.022 0.000 1.181 92 A CA 1.760 53.810 52.037 0.021 0.000 0.623 92 A CB -0.697 18.317 19.000 0.024 0.000 0.818 92 A HN 0.358 nan 8.150 nan 0.000 0.443 93 R N -0.741 119.783 120.500 0.039 0.000 2.080 93 R HA -0.147 4.062 4.340 -0.218 0.000 0.236 93 R C 2.181 178.489 176.300 0.014 0.000 1.137 93 R CA 2.240 58.362 56.100 0.037 0.000 0.943 93 R CB -0.798 29.551 30.300 0.081 0.000 0.846 93 R HN 0.479 nan 8.270 nan 0.000 0.431 94 T N 0.757 115.325 114.554 0.024 0.000 2.684 94 T HA -0.175 4.044 4.350 -0.218 0.000 0.267 94 T C 1.839 176.539 174.700 0.000 0.000 1.036 94 T CA 1.633 63.737 62.100 0.007 0.000 1.148 94 T CB -0.385 68.491 68.868 0.013 0.000 0.863 94 T HN 0.512 nan 8.240 nan 0.000 0.436 95 A N 2.293 125.113 122.820 0.001 0.000 1.902 95 A HA -0.129 4.061 4.320 -0.218 0.000 0.217 95 A C 2.249 179.829 177.584 -0.007 0.000 1.181 95 A CA 1.419 53.454 52.037 -0.004 0.000 0.623 95 A CB -0.568 18.430 19.000 -0.003 0.000 0.818 95 A HN 0.396 nan 8.150 nan 0.000 0.443 96 N N -0.528 118.164 118.700 -0.012 0.000 2.309 96 N HA -0.151 4.458 4.740 -0.218 0.000 0.182 96 N C 1.837 177.313 175.510 -0.056 0.000 1.018 96 N CA 1.387 54.420 53.050 -0.029 0.000 0.876 96 N CB -0.330 38.141 38.487 -0.027 0.000 0.972 96 N HN 0.799 nan 8.380 nan 0.000 0.434 97 Q N 0.695 120.469 119.800 -0.044 0.000 2.079 97 Q HA 0.000 4.210 4.340 -0.218 0.000 0.200 97 Q C 2.030 178.051 176.000 0.036 0.000 0.974 97 Q CA 0.851 56.622 55.803 -0.054 0.000 0.840 97 Q CB -0.011 28.718 28.738 -0.014 0.000 0.898 97 Q HN 0.271 nan 8.270 nan 0.000 0.430 98 L N 0.072 121.336 121.223 0.068 0.000 2.046 98 L HA -0.177 4.032 4.340 -0.218 0.000 0.208 98 L C 2.640 179.553 176.870 0.072 0.000 1.077 98 L CA 1.414 56.321 54.840 0.112 0.000 0.747 98 L CB -0.238 41.848 42.059 0.045 0.000 0.896 98 L HN 0.169 nan 8.230 nan 0.000 0.432 99 R N -0.648 119.856 120.500 0.006 0.000 2.120 99 R HA -0.177 4.033 4.340 -0.218 0.000 0.234 99 R C 2.153 178.416 176.300 -0.062 0.000 1.123 99 R CA 1.107 57.197 56.100 -0.016 0.000 0.975 99 R CB -0.438 29.848 30.300 -0.023 0.000 0.866 99 R HN 0.188 nan 8.270 nan 0.000 0.446 100 L N 0.009 121.139 121.223 -0.154 0.000 2.017 100 L HA -0.120 4.090 4.340 -0.218 0.000 0.208 100 L C 1.622 178.279 176.870 -0.355 0.000 1.073 100 L CA 1.796 56.443 54.840 -0.321 0.000 0.745 100 L CB -0.421 41.308 42.059 -0.549 0.000 0.894 100 L HN -0.008 nan 8.230 nan 0.000 0.432 101 F N -0.090 119.809 119.950 -0.084 0.000 2.407 101 F HA 0.017 4.413 4.527 -0.219 0.000 0.299 101 F C 2.453 178.220 175.800 -0.056 0.000 1.097 101 F CA 0.853 58.813 58.000 -0.066 0.000 1.422 101 F CB -1.177 37.795 39.000 -0.046 0.000 1.067 101 F HN 0.207 nan 8.300 nan 0.000 0.539 102 A N 0.030 122.902 122.820 0.087 0.000 1.902 102 A HA -0.170 4.019 4.320 -0.218 0.000 0.217 102 A C 2.040 179.623 177.584 -0.002 0.000 1.181 102 A CA 1.963 54.023 52.037 0.037 0.000 0.623 102 A CB -0.706 18.308 19.000 0.022 0.000 0.818 102 A HN 0.234 nan 8.150 nan 0.000 0.443 103 D N -0.174 120.218 120.400 -0.014 0.000 2.117 103 D HA -0.100 4.409 4.640 -0.218 0.000 0.197 103 D C 2.117 178.408 176.300 -0.015 0.000 0.987 103 D CA 1.425 55.420 54.000 -0.009 0.000 0.829 103 D CB -0.557 40.253 40.800 0.017 0.000 0.961 103 D HN 0.209 nan 8.370 nan 0.000 0.460 104 V N 0.998 120.904 119.914 -0.013 0.000 2.255 104 V HA -0.232 3.757 4.120 -0.218 0.000 0.247 104 V C 2.721 178.715 176.094 -0.165 0.000 1.051 104 V CA 1.199 63.491 62.300 -0.013 0.000 1.018 104 V CB -0.541 31.311 31.823 0.048 0.000 0.641 104 V HN 0.047 nan 8.190 nan 0.000 0.445 105 V N 0.330 120.134 119.914 -0.184 0.000 2.255 105 V HA -0.309 3.680 4.120 -0.218 0.000 0.247 105 V C 2.286 178.163 176.094 -0.362 0.000 1.051 105 V CA 2.580 64.628 62.300 -0.421 0.000 1.018 105 V CB -1.064 30.651 31.823 -0.182 0.000 0.641 105 V HN 0.610 nan 8.190 nan 0.000 0.445 106 N N -0.086 118.514 118.700 -0.167 0.000 2.205 106 N HA -0.191 4.419 4.740 -0.218 0.000 0.186 106 N C 2.032 177.481 175.510 -0.102 0.000 1.015 106 N CA 1.536 54.523 53.050 -0.105 0.000 0.862 106 N CB -0.269 38.187 38.487 -0.052 0.000 0.986 106 N HN 0.395 nan 8.380 nan 0.000 0.429 107 S N -1.236 114.396 115.700 -0.113 0.000 2.382 107 S HA -0.036 4.303 4.470 -0.218 0.000 0.228 107 S C 1.454 176.014 174.600 -0.067 0.000 1.027 107 S CA 1.674 59.832 58.200 -0.071 0.000 0.991 107 S CB -0.700 62.475 63.200 -0.042 0.000 0.823 107 S HN 0.662 nan 8.310 nan 0.000 0.469 108 G N -0.067 108.622 108.800 -0.185 0.000 2.179 108 G HA2 -0.326 3.503 3.960 -0.218 0.000 0.260 108 G HA3 -0.326 3.503 3.960 -0.218 0.000 0.260 108 G C 1.079 176.058 174.900 0.132 0.000 0.977 108 G CA 1.249 46.335 45.100 -0.023 0.000 0.641 108 G HN 1.169 nan 8.290 nan 0.000 0.533 109 S N 0.108 115.834 115.700 0.042 0.000 2.402 109 S HA -0.121 4.219 4.470 -0.218 0.000 0.229 109 S C 2.169 176.949 174.600 0.300 0.000 1.021 109 S CA 1.835 60.129 58.200 0.156 0.000 0.974 109 S CB -0.553 62.718 63.200 0.119 0.000 0.800 109 S HN 1.456 nan 8.310 nan 0.000 0.484 110 Y N 1.832 122.172 120.300 0.066 0.000 2.483 110 Y HA 0.002 4.421 4.550 -0.218 0.000 0.291 110 Y C 1.894 177.840 175.900 0.077 0.000 1.143 110 Y CA 0.669 58.808 58.100 0.065 0.000 1.289 110 Y CB -1.837 36.562 38.460 -0.102 0.000 0.983 110 Y HN 0.350 nan 8.280 nan 0.000 0.556 111 H N 0.983 120.449 119.070 0.659 0.000 2.423 111 H HA -0.075 4.351 4.556 -0.217 0.000 0.297 111 H C 0.676 176.111 175.328 0.178 0.000 1.075 111 H CA 1.489 57.708 56.048 0.284 0.000 1.342 111 H CB -0.126 29.799 29.762 0.273 0.000 1.395 111 H HN 0.469 nan 8.280 nan 0.000 0.530 112 Q N -0.756 119.232 119.800 0.313 0.000 2.453 112 Q HA -0.153 4.057 4.340 -0.218 0.000 0.294 112 Q C -0.042 176.050 176.000 0.153 0.000 1.295 112 Q CA 0.094 56.012 55.803 0.191 0.000 0.853 112 Q CB -1.425 27.395 28.738 0.136 0.000 1.193 112 Q HN 0.450 nan 8.270 nan 0.000 0.461 113 A N 0.813 123.730 122.820 0.161 0.000 2.567 113 A HA 0.384 4.573 4.320 -0.218 0.000 0.240 113 A C 0.291 177.919 177.584 0.072 0.000 1.053 113 A CA 0.531 52.627 52.037 0.098 0.000 0.755 113 A CB 0.221 19.254 19.000 0.055 0.000 0.978 113 A HN 0.419 nan 8.150 nan 0.000 0.507 114 I N 2.948 123.557 120.570 0.065 0.000 2.569 114 I HA 0.440 4.480 4.170 -0.218 0.000 0.290 114 I C -0.702 175.444 176.117 0.048 0.000 1.088 114 I CA -0.448 60.883 61.300 0.052 0.000 1.047 114 I CB 1.909 39.941 38.000 0.053 0.000 1.237 114 I HN 0.632 nan 8.210 nan 0.000 0.421 115 L N 2.515 123.760 121.223 0.036 0.000 2.422 115 L HA 0.705 4.914 4.340 -0.218 0.000 0.264 115 L C -1.454 175.433 176.870 0.027 0.000 0.984 115 L CA -0.943 53.917 54.840 0.033 0.000 0.819 115 L CB 2.310 44.382 42.059 0.023 0.000 1.330 115 L HN 0.338 nan 8.230 nan 0.000 0.410 116 D N 1.181 121.598 120.400 0.029 0.000 2.198 116 D HA 0.268 4.778 4.640 -0.218 0.000 0.245 116 D C -0.283 176.029 176.300 0.020 0.000 1.079 116 D CA -0.140 53.874 54.000 0.023 0.000 0.854 116 D CB 2.348 43.162 40.800 0.024 0.000 1.148 116 D HN 0.499 nan 8.370 nan 0.000 0.456 117 T N 4.564 119.127 114.554 0.015 0.000 2.779 117 T HA 0.211 4.431 4.350 -0.218 0.000 0.296 117 T C -1.913 172.795 174.700 0.013 0.000 0.938 117 T CA -0.980 61.127 62.100 0.012 0.000 1.119 117 T CB 0.832 69.706 68.868 0.010 0.000 0.891 117 T HN 0.230 nan 8.240 nan 0.000 0.526 118 P HA 0.134 nan 4.420 nan 0.000 0.271 118 P C -0.444 176.862 177.300 0.010 0.000 1.233 118 P CA -0.391 62.717 63.100 0.013 0.000 0.789 118 P CB 0.560 32.268 31.700 0.013 0.000 0.951 119 N N 1.159 119.864 118.700 0.009 0.000 2.685 119 N HA 0.258 4.868 4.740 -0.218 0.000 0.252 119 N C -2.278 173.237 175.510 0.007 0.000 1.261 119 N CA -2.077 50.977 53.050 0.008 0.000 0.768 119 N CB 0.569 39.061 38.487 0.007 0.000 1.304 119 N HN -0.018 nan 8.380 nan 0.000 0.536 120 P HA -0.081 nan 4.420 nan 0.000 0.216 120 P C 0.809 178.113 177.300 0.006 0.000 1.150 120 P CA 1.430 64.534 63.100 0.007 0.000 0.837 120 P CB 0.167 31.871 31.700 0.006 0.000 0.786 121 T N -3.055 111.502 114.554 0.005 0.000 3.235 121 T HA 0.116 4.335 4.350 -0.218 0.000 0.251 121 T C 0.573 175.276 174.700 0.004 0.000 1.060 121 T CA -0.642 61.461 62.100 0.004 0.000 0.949 121 T CB -0.763 68.108 68.868 0.004 0.000 1.020 121 T HN 0.152 nan 8.240 nan 0.000 0.564 122 R N 0.590 121.092 120.500 0.005 0.000 2.459 122 R HA 0.753 4.962 4.340 -0.218 0.000 0.281 122 R C -0.547 175.755 176.300 0.004 0.000 1.050 122 R CA -0.715 55.387 56.100 0.004 0.000 1.055 122 R CB 0.829 31.132 30.300 0.005 0.000 1.045 122 R HN 0.124 nan 8.270 nan 0.000 0.495 123 A N 3.225 126.048 122.820 0.004 0.000 2.337 123 A HA 0.478 4.667 4.320 -0.218 0.000 0.331 123 A C -1.549 176.037 177.584 0.003 0.000 1.137 123 A CA -1.654 50.385 52.037 0.003 0.000 0.807 123 A CB 1.004 20.006 19.000 0.003 0.000 1.250 123 A HN 0.898 nan 8.150 nan 0.000 0.468 124 P HA 0.107 nan 4.420 nan 0.000 0.222 124 P C -0.151 177.151 177.300 0.003 0.000 1.153 124 P CA 0.835 63.937 63.100 0.003 0.000 0.798 124 P CB 0.140 31.842 31.700 0.003 0.000 0.796 125 L N 1.810 123.036 121.223 0.004 0.000 2.346 125 L HA 0.466 4.675 4.340 -0.218 0.000 0.276 125 L C -2.438 174.435 176.870 0.005 0.000 1.006 125 L CA -2.687 52.155 54.840 0.005 0.000 0.817 125 L CB 2.263 44.325 42.059 0.004 0.000 1.272 125 L HN -0.184 nan 8.230 nan 0.000 0.421 126 P HA 0.032 nan 4.420 nan 0.000 0.272 126 P C -1.270 176.035 177.300 0.008 0.000 1.223 126 P CA -0.460 62.644 63.100 0.007 0.000 0.784 126 P CB 1.022 32.726 31.700 0.007 0.000 0.923 127 K N 3.998 124.403 120.400 0.008 0.000 2.262 127 K HA 0.283 4.472 4.320 -0.218 0.000 0.282 127 K C -1.999 174.609 176.600 0.012 0.000 1.066 127 K CA -2.230 54.063 56.287 0.010 0.000 0.901 127 K CB 0.383 32.888 32.500 0.010 0.000 1.089 127 K HN 0.336 nan 8.250 nan 0.000 0.476 128 P HA -0.002 nan 4.420 nan 0.000 0.274 128 P C -0.909 176.404 177.300 0.021 0.000 1.246 128 P CA -0.254 62.856 63.100 0.017 0.000 0.795 128 P CB 0.660 32.371 31.700 0.018 0.000 1.006 129 D N 1.431 121.846 120.400 0.025 0.000 2.365 129 D HA 0.288 4.797 4.640 -0.218 0.000 0.237 129 D C -0.473 175.852 176.300 0.042 0.000 1.190 129 D CA -0.122 53.895 54.000 0.029 0.000 0.867 129 D CB -0.356 40.459 40.800 0.026 0.000 1.050 129 D HN 0.212 nan 8.370 nan 0.000 0.491 130 I N 3.913 124.510 120.570 0.044 0.000 2.509 130 I HA 0.457 4.496 4.170 -0.218 0.000 0.293 130 I C 0.189 176.350 176.117 0.073 0.000 1.020 130 I CA -0.868 60.468 61.300 0.062 0.000 1.088 130 I CB 1.810 39.838 38.000 0.047 0.000 1.267 130 I HN 0.091 nan 8.210 nan 0.000 0.430 131 R N 5.444 126.015 120.500 0.118 0.000 2.604 131 R HA 0.633 4.842 4.340 -0.218 0.000 0.281 131 R C -1.168 175.266 176.300 0.223 0.000 1.020 131 R CA -0.994 55.179 56.100 0.122 0.000 0.899 131 R CB 2.941 33.283 30.300 0.070 0.000 1.205 131 R HN 0.688 nan 8.270 nan 0.000 0.450 132 R N 1.193 121.797 120.500 0.173 0.000 2.854 132 R HA 0.517 4.727 4.340 -0.218 0.000 0.271 132 R C -1.122 175.287 176.300 0.182 0.000 0.994 132 R CA -1.016 55.215 56.100 0.218 0.000 0.945 132 R CB 2.162 32.541 30.300 0.131 0.000 1.194 132 R HN 0.764 nan 8.270 nan 0.000 0.476 133 Q N 0.585 120.521 119.800 0.227 0.000 2.590 133 Q HA 0.320 4.529 4.340 -0.218 0.000 0.295 133 Q C -1.328 174.781 176.000 0.180 0.000 0.973 133 Q CA -1.236 54.682 55.803 0.193 0.000 0.768 133 Q CB 1.864 30.702 28.738 0.167 0.000 1.479 133 Q HN 0.521 nan 8.270 nan 0.000 0.419 134 Q N 1.283 121.173 119.800 0.150 0.000 2.230 134 Q HA 0.625 4.834 4.340 -0.218 0.000 0.253 134 Q C -0.294 175.717 176.000 0.018 0.000 0.919 134 Q CA -0.410 55.435 55.803 0.070 0.000 0.908 134 Q CB 1.949 30.706 28.738 0.033 0.000 1.245 134 Q HN 0.713 nan 8.270 nan 0.000 0.437 135 I N -2.517 118.061 120.570 0.013 0.000 2.969 135 I HA 0.763 4.802 4.170 -0.218 0.000 0.307 135 I C -0.567 175.546 176.117 -0.006 0.000 1.149 135 I CA -1.465 59.831 61.300 -0.007 0.000 1.008 135 I CB 2.016 40.054 38.000 0.063 0.000 1.232 135 I HN 0.515 nan 8.210 nan 0.000 0.435 136 A N 4.183 126.995 122.820 -0.013 0.000 2.540 136 A HA 0.308 4.497 4.320 -0.218 0.000 0.239 136 A C 0.946 178.577 177.584 0.077 0.000 1.061 136 A CA -0.170 51.890 52.037 0.038 0.000 0.758 136 A CB 0.137 19.158 19.000 0.035 0.000 0.991 136 A HN 0.896 nan 8.150 nan 0.000 0.502 137 L N 2.069 123.364 121.223 0.121 0.000 2.093 137 L HA 0.160 4.369 4.340 -0.218 0.000 0.208 137 L C 1.541 178.469 176.870 0.097 0.000 1.085 137 L CA 1.425 56.337 54.840 0.121 0.000 0.755 137 L CB -0.626 41.540 42.059 0.179 0.000 0.904 137 L HN 1.115 nan 8.230 nan 0.000 0.435 138 G N -1.930 106.927 108.800 0.095 0.000 2.302 138 G HA2 -0.046 3.783 3.960 -0.218 0.000 0.276 138 G HA3 -0.046 3.783 3.960 -0.218 0.000 0.276 138 G C -2.947 171.978 174.900 0.042 0.000 1.316 138 G CA -1.124 44.018 45.100 0.069 0.000 0.988 138 G HN -0.210 nan 8.290 nan 0.000 0.479 139 P HA 0.397 nan 4.420 nan 0.000 0.262 139 P C -0.251 177.016 177.300 -0.054 0.000 1.182 139 P CA -0.031 63.041 63.100 -0.046 0.000 0.761 139 P CB 1.063 32.725 31.700 -0.063 0.000 0.795 140 V N 3.115 122.948 119.914 -0.136 0.000 2.555 140 V HA 0.646 4.635 4.120 -0.218 0.000 0.302 140 V C 0.221 176.202 176.094 -0.188 0.000 1.038 140 V CA -0.839 61.354 62.300 -0.178 0.000 0.887 140 V CB 1.776 33.320 31.823 -0.464 0.000 0.991 140 V HN 0.581 nan 8.190 nan 0.000 0.434 141 A N 4.268 127.035 122.820 -0.088 0.000 2.301 141 A HA 0.830 5.020 4.320 -0.218 0.000 0.312 141 A C -0.723 176.836 177.584 -0.041 0.000 1.182 141 A CA -0.441 51.548 52.037 -0.080 0.000 0.826 141 A CB 1.141 20.171 19.000 0.049 0.000 1.134 141 A HN 0.695 nan 8.150 nan 0.000 0.501 142 V N 2.387 122.214 119.914 -0.145 0.000 2.588 142 V HA 0.480 4.470 4.120 -0.218 0.000 0.304 142 V C -1.341 174.675 176.094 -0.130 0.000 1.042 142 V CA -0.262 62.017 62.300 -0.036 0.000 0.877 142 V CB 1.396 33.178 31.823 -0.069 0.000 0.996 142 V HN 0.725 nan 8.190 nan 0.000 0.425 143 F N 2.649 122.637 119.950 0.064 0.000 2.402 143 F HA 0.702 5.097 4.527 -0.219 0.000 0.355 143 F C 0.966 176.767 175.800 0.002 0.000 1.123 143 F CA -0.512 57.513 58.000 0.042 0.000 1.021 143 F CB 1.706 40.771 39.000 0.109 0.000 1.160 143 F HN 0.584 nan 8.300 nan 0.000 0.451 144 G N 1.309 110.221 108.800 0.188 0.000 2.572 144 G HA2 0.533 4.363 3.960 -0.218 0.000 0.261 144 G HA3 0.533 4.363 3.960 -0.218 0.000 0.261 144 G C -0.665 174.378 174.900 0.238 0.000 1.197 144 G CA -0.573 44.661 45.100 0.223 0.000 0.870 144 G HN 0.846 nan 8.290 nan 0.000 0.548 145 A N 0.034 122.984 122.820 0.217 0.000 2.327 145 A HA 0.515 4.705 4.320 -0.218 0.000 0.283 145 A C 1.564 179.191 177.584 0.072 0.000 1.127 145 A CA 0.346 52.453 52.037 0.117 0.000 0.810 145 A CB 0.834 19.884 19.000 0.084 0.000 1.066 145 A HN 1.352 nan 8.150 nan 0.000 0.492 146 S N 1.507 117.123 115.700 -0.141 0.000 2.414 146 S HA -0.142 4.197 4.470 -0.218 0.000 0.227 146 S C 1.257 175.783 174.600 -0.123 0.000 1.022 146 S CA 1.030 59.040 58.200 -0.317 0.000 0.958 146 S CB -0.429 62.480 63.200 -0.484 0.000 0.797 146 S HN 0.876 nan 8.310 nan 0.000 0.493 147 N N 0.741 119.410 118.700 -0.053 0.000 2.494 147 N HA 0.023 4.632 4.740 -0.218 0.000 0.182 147 N C -0.416 174.944 175.510 -0.250 0.000 1.076 147 N CA 0.342 53.364 53.050 -0.047 0.000 0.908 147 N CB -0.485 38.110 38.487 0.181 0.000 0.967 147 N HN 0.505 nan 8.380 nan 0.000 0.449 148 F N 1.062 120.912 119.950 -0.167 0.000 2.710 148 F HA 0.384 4.783 4.527 -0.213 0.000 0.345 148 F C -1.735 174.016 175.800 -0.082 0.000 1.362 148 F CA -2.069 55.860 58.000 -0.117 0.000 1.175 148 F CB 1.799 40.750 39.000 -0.082 0.000 1.561 148 F HN -0.152 nan 8.300 nan 0.000 0.593 149 P HA -0.153 nan 4.420 nan 0.000 0.224 149 P C 0.894 178.055 177.300 -0.232 0.000 1.142 149 P CA 1.555 64.329 63.100 -0.542 0.000 0.778 149 P CB 0.641 31.867 31.700 -0.789 0.000 0.764 150 L N -1.437 119.771 121.223 -0.024 0.000 2.614 150 L HA 0.298 4.508 4.340 -0.218 0.000 0.185 150 L C 2.596 179.527 176.870 0.102 0.000 1.098 150 L CA 0.799 55.657 54.840 0.031 0.000 0.852 150 L CB -1.143 40.926 42.059 0.018 0.000 1.213 150 L HN -0.272 nan 8.230 nan 0.000 0.491 151 A N -0.550 122.391 122.820 0.202 0.000 2.119 151 A HA -0.003 4.187 4.320 -0.218 0.000 0.217 151 A C 1.114 178.686 177.584 -0.019 0.000 1.153 151 A CA 1.255 53.369 52.037 0.127 0.000 0.692 151 A CB -0.336 18.794 19.000 0.216 0.000 0.799 151 A HN 0.389 nan 8.150 nan 0.000 0.458 152 F N -1.378 118.618 119.950 0.077 0.000 2.835 152 F HA 0.388 4.789 4.527 -0.210 0.000 0.342 152 F C 0.978 176.833 175.800 0.091 0.000 1.202 152 F CA -0.014 58.021 58.000 0.059 0.000 1.240 152 F CB 0.373 39.394 39.000 0.036 0.000 1.005 152 F HN 0.141 nan 8.300 nan 0.000 0.507 153 S N -0.572 115.252 115.700 0.207 0.000 4.353 153 S HA 0.683 5.023 4.470 -0.218 0.000 0.229 153 S C 1.759 176.452 174.600 0.156 0.000 1.098 153 S CA 0.481 58.807 58.200 0.209 0.000 1.695 153 S CB -0.074 63.285 63.200 0.265 0.000 1.097 153 S HN 0.031 nan 8.310 nan 0.000 0.745 154 A N 0.954 123.879 122.820 0.175 0.000 1.915 154 A HA 0.024 4.213 4.320 -0.218 0.000 0.220 154 A C 1.652 179.316 177.584 0.134 0.000 1.198 154 A CA 2.563 54.712 52.037 0.187 0.000 0.647 154 A CB -1.229 17.884 19.000 0.190 0.000 0.825 154 A HN 1.161 nan 8.150 nan 0.000 0.456 155 A N -1.041 121.803 122.820 0.040 0.000 2.637 155 A HA 0.564 4.753 4.320 -0.218 0.000 0.293 155 A C 1.042 178.615 177.584 -0.019 0.000 1.216 155 A CA 0.568 52.586 52.037 -0.032 0.000 0.956 155 A CB -0.738 18.208 19.000 -0.090 0.000 1.174 155 A HN 0.818 nan 8.150 nan 0.000 0.525 156 G N -0.926 107.875 108.800 0.003 0.000 2.525 156 G HA2 0.372 4.201 3.960 -0.218 0.000 0.276 156 G HA3 0.372 4.201 3.960 -0.218 0.000 0.276 156 G C 1.182 176.021 174.900 -0.101 0.000 1.388 156 G CA 0.127 45.195 45.100 -0.053 0.000 1.050 156 G HN 0.528 nan 8.290 nan 0.000 0.520 157 G N -0.759 107.909 108.800 -0.221 0.000 2.442 157 G HA2 -0.180 3.650 3.960 -0.218 0.000 0.219 157 G HA3 -0.180 3.650 3.960 -0.218 0.000 0.219 157 G C 1.308 176.155 174.900 -0.087 0.000 1.141 157 G CA 1.490 46.496 45.100 -0.157 0.000 0.763 157 G HN 0.481 nan 8.290 nan 0.000 0.554 158 D N 0.075 120.464 120.400 -0.019 0.000 2.103 158 D HA -0.037 4.472 4.640 -0.218 0.000 0.199 158 D C 2.776 179.007 176.300 -0.116 0.000 0.978 158 D CA 1.339 55.386 54.000 0.079 0.000 0.829 158 D CB -0.606 40.294 40.800 0.167 0.000 0.981 158 D HN 0.186 nan 8.370 nan 0.000 0.464 159 T N 0.737 115.231 114.554 -0.100 0.000 2.708 159 T HA -0.130 4.090 4.350 -0.218 0.000 0.266 159 T C 1.990 176.595 174.700 -0.158 0.000 1.037 159 T CA 1.643 63.678 62.100 -0.109 0.000 1.146 159 T CB -0.369 68.513 68.868 0.024 0.000 0.865 159 T HN 0.180 nan 8.240 nan 0.000 0.435 160 A N 2.001 124.728 122.820 -0.155 0.000 1.865 160 A HA -0.156 4.034 4.320 -0.218 0.000 0.217 160 A C 2.608 179.906 177.584 -0.476 0.000 1.191 160 A CA 2.535 54.456 52.037 -0.194 0.000 0.623 160 A CB -1.054 17.916 19.000 -0.050 0.000 0.826 160 A HN 0.625 nan 8.150 nan 0.000 0.444 161 S N 0.062 115.297 115.700 -0.777 0.000 2.383 161 S HA 0.089 4.429 4.470 -0.218 0.000 0.227 161 S C 2.086 176.512 174.600 -0.289 0.000 1.026 161 S CA 1.283 58.918 58.200 -0.942 0.000 0.981 161 S CB -0.665 62.113 63.200 -0.703 0.000 0.818 161 S HN 0.899 nan 8.310 nan 0.000 0.472 162 A N 2.317 124.879 122.820 -0.430 0.000 1.873 162 A HA 0.156 4.345 4.320 -0.218 0.000 0.215 162 A C 2.331 179.768 177.584 -0.244 0.000 1.186 162 A CA 1.358 52.946 52.037 -0.749 0.000 0.616 162 A CB -0.898 17.406 19.000 -1.160 0.000 0.823 162 A HN 0.515 nan 8.150 nan 0.000 0.442 163 L N -0.739 120.408 121.223 -0.126 0.000 2.046 163 L HA -0.216 3.993 4.340 -0.218 0.000 0.208 163 L C 3.125 180.030 176.870 0.058 0.000 1.077 163 L CA 1.125 56.039 54.840 0.123 0.000 0.747 163 L CB -0.656 41.486 42.059 0.137 0.000 0.896 163 L HN 0.454 nan 8.230 nan 0.000 0.432 164 A N 0.160 122.963 122.820 -0.029 0.000 1.908 164 A HA -0.204 3.986 4.320 -0.218 0.000 0.218 164 A C 2.496 180.122 177.584 0.071 0.000 1.181 164 A CA 1.813 53.861 52.037 0.018 0.000 0.627 164 A CB -0.687 18.333 19.000 0.034 0.000 0.818 164 A HN 0.423 nan 8.150 nan 0.000 0.445 165 A N -1.932 120.911 122.820 0.039 0.000 2.067 165 A HA 0.329 4.519 4.320 -0.218 0.000 0.219 165 A C 1.893 179.433 177.584 -0.073 0.000 1.158 165 A CA 1.666 53.715 52.037 0.021 0.000 0.661 165 A CB -0.857 18.220 19.000 0.129 0.000 0.801 165 A HN 2.014 nan 8.150 nan 0.000 0.452 166 G N -2.842 105.894 108.800 -0.108 0.000 2.145 166 G HA2 -0.151 3.679 3.960 -0.218 0.000 0.176 166 G HA3 -0.151 3.679 3.960 -0.218 0.000 0.176 166 G C -0.143 174.810 174.900 0.089 0.000 1.013 166 G CA -0.223 44.708 45.100 -0.281 0.000 0.689 166 G HN 0.649 nan 8.290 nan 0.000 0.506 167 C N 0.998 120.423 119.300 0.208 0.000 2.329 167 C HA 0.653 4.983 4.460 -0.218 0.000 0.329 167 C C -1.566 173.530 174.990 0.177 0.000 1.275 167 C CA -1.544 57.579 59.018 0.175 0.000 1.726 167 C CB 1.519 29.241 27.740 -0.030 0.000 2.291 167 C HN 0.345 nan 8.230 nan 0.000 0.514 168 P HA 0.302 nan 4.420 nan 0.000 0.272 168 P C -0.909 176.286 177.300 -0.175 0.000 1.223 168 P CA -0.011 62.984 63.100 -0.175 0.000 0.784 168 P CB 0.540 32.129 31.700 -0.185 0.000 0.923 169 V N 3.832 123.621 119.914 -0.210 0.000 2.604 169 V HA 0.434 4.423 4.120 -0.218 0.000 0.305 169 V C 0.004 175.854 176.094 -0.408 0.000 1.043 169 V CA -0.449 61.698 62.300 -0.254 0.000 0.888 169 V CB 1.744 33.482 31.823 -0.141 0.000 0.995 169 V HN 0.369 nan 8.190 nan 0.000 0.429 170 I N 4.520 124.860 120.570 -0.383 0.000 2.410 170 I HA 0.427 4.466 4.170 -0.218 0.000 0.286 170 I C -0.672 175.196 176.117 -0.415 0.000 1.009 170 I CA -0.735 60.300 61.300 -0.442 0.000 1.111 170 I CB 2.025 39.827 38.000 -0.329 0.000 1.262 170 I HN 0.256 nan 8.210 nan 0.000 0.443 171 V N 6.575 126.200 119.914 -0.481 0.000 2.407 171 V HA 0.270 4.260 4.120 -0.218 0.000 0.278 171 V C 0.424 176.318 176.094 -0.335 0.000 1.037 171 V CA -0.679 61.413 62.300 -0.346 0.000 0.900 171 V CB 1.653 33.358 31.823 -0.197 0.000 0.983 171 V HN 0.501 nan 8.190 nan 0.000 0.459 172 K N 4.417 124.537 120.400 -0.466 0.000 2.206 172 K HA 0.286 4.476 4.320 -0.218 0.000 0.268 172 K C 0.481 176.923 176.600 -0.262 0.000 1.111 172 K CA -0.213 55.808 56.287 -0.442 0.000 0.955 172 K CB 0.568 32.547 32.500 -0.869 0.000 1.406 172 K HN 0.871 nan 8.250 nan 0.000 0.427 173 G N 3.815 112.535 108.800 -0.134 0.000 2.224 173 G HA2 -0.135 3.695 3.960 -0.218 0.000 0.239 173 G HA3 -0.135 3.695 3.960 -0.218 0.000 0.239 173 G C -0.071 174.773 174.900 -0.093 0.000 1.240 173 G CA -0.036 45.019 45.100 -0.076 0.000 0.896 173 G HN 0.686 nan 8.290 nan 0.000 0.496 174 H N 1.635 120.566 119.070 -0.231 0.000 2.886 174 H HA 0.043 4.470 4.556 -0.215 0.000 0.329 174 H C 1.883 177.036 175.328 -0.291 0.000 1.044 174 H CA 0.877 56.758 56.048 -0.278 0.000 1.456 174 H CB 1.067 30.561 29.762 -0.447 0.000 1.464 174 H HN 0.552 nan 8.280 nan 0.000 0.573 175 T N 0.959 115.490 114.554 -0.038 0.000 3.113 175 T HA 0.017 4.237 4.350 -0.218 0.000 0.263 175 T C 1.752 176.560 174.700 0.180 0.000 1.143 175 T CA 0.547 62.697 62.100 0.083 0.000 1.090 175 T CB -0.019 68.814 68.868 -0.059 0.000 0.922 175 T HN 0.509 nan 8.240 nan 0.000 0.521 176 A N 2.124 125.110 122.820 0.276 0.000 2.123 176 A HA 0.092 4.282 4.320 -0.218 0.000 0.214 176 A C 1.327 178.951 177.584 0.067 0.000 1.152 176 A CA 0.579 52.690 52.037 0.123 0.000 0.728 176 A CB -0.443 18.573 19.000 0.026 0.000 0.814 176 A HN 0.912 nan 8.150 nan 0.000 0.464 177 H N -3.247 115.836 119.070 0.021 0.000 2.946 177 H HA 0.213 4.637 4.556 -0.219 0.000 0.217 177 H C -2.583 172.667 175.328 -0.130 0.000 1.393 177 H CA -0.747 55.269 56.048 -0.053 0.000 1.306 177 H CB -0.227 29.497 29.762 -0.065 0.000 2.062 177 H HN 0.216 nan 8.280 nan 0.000 0.520 178 P HA -0.131 nan 4.420 nan 0.000 0.215 178 P C 1.779 178.648 177.300 -0.718 0.000 1.153 178 P CA 1.966 64.652 63.100 -0.690 0.000 0.853 178 P CB -0.150 30.750 31.700 -1.332 0.000 0.788 179 G N -0.457 108.059 108.800 -0.473 0.000 2.422 179 G HA2 -0.205 3.624 3.960 -0.218 0.000 0.218 179 G HA3 -0.205 3.624 3.960 -0.218 0.000 0.218 179 G C 1.554 176.488 174.900 0.055 0.000 1.146 179 G CA 1.443 46.560 45.100 0.029 0.000 0.769 179 G HN 0.209 nan 8.290 nan 0.000 0.547 180 T N 1.285 115.871 114.554 0.054 0.000 2.708 180 T HA -0.103 4.116 4.350 -0.218 0.000 0.266 180 T C 2.861 177.610 174.700 0.082 0.000 1.037 180 T CA 1.547 63.689 62.100 0.071 0.000 1.146 180 T CB -0.323 68.576 68.868 0.052 0.000 0.865 180 T HN 0.263 nan 8.240 nan 0.000 0.435 181 S N 1.179 116.949 115.700 0.117 0.000 2.359 181 S HA -0.191 4.148 4.470 -0.218 0.000 0.224 181 S C 2.149 176.799 174.600 0.084 0.000 1.035 181 S CA 1.233 59.501 58.200 0.114 0.000 1.018 181 S CB -0.423 62.829 63.200 0.087 0.000 0.876 181 S HN 0.508 nan 8.310 nan 0.000 0.448 182 Q N 0.484 120.318 119.800 0.056 0.000 2.096 182 Q HA -0.125 4.084 4.340 -0.218 0.000 0.204 182 Q C 2.101 178.156 176.000 0.092 0.000 0.982 182 Q CA 1.423 57.287 55.803 0.101 0.000 0.850 182 Q CB -0.254 28.587 28.738 0.172 0.000 0.901 182 Q HN 0.548 nan 8.270 nan 0.000 0.422 183 I N -0.225 120.392 120.570 0.079 0.000 2.226 183 I HA -0.267 3.772 4.170 -0.218 0.000 0.245 183 I C 2.245 178.378 176.117 0.026 0.000 1.100 183 I CA 0.740 62.072 61.300 0.054 0.000 1.374 183 I CB -0.232 37.798 38.000 0.050 0.000 1.057 183 I HN 0.087 nan 8.210 nan 0.000 0.413 184 V N 1.110 121.038 119.914 0.023 0.000 2.343 184 V HA -0.305 3.685 4.120 -0.218 0.000 0.247 184 V C 2.709 178.765 176.094 -0.062 0.000 1.051 184 V CA 2.035 64.323 62.300 -0.021 0.000 1.036 184 V CB -0.952 30.868 31.823 -0.004 0.000 0.654 184 V HN 0.510 nan 8.190 nan 0.000 0.451 185 A N -0.656 122.177 122.820 0.022 0.000 1.969 185 A HA -0.229 3.961 4.320 -0.218 0.000 0.218 185 A C 2.161 179.758 177.584 0.022 0.000 1.169 185 A CA 1.756 53.837 52.037 0.072 0.000 0.635 185 A CB -0.419 18.724 19.000 0.239 0.000 0.810 185 A HN 0.620 nan 8.150 nan 0.000 0.445 186 E N -0.966 119.249 120.200 0.025 0.000 2.150 186 E HA -0.147 4.072 4.350 -0.218 0.000 0.193 186 E C 1.974 178.562 176.600 -0.020 0.000 0.985 186 E CA 1.130 57.540 56.400 0.016 0.000 0.814 186 E CB -0.292 29.424 29.700 0.026 0.000 0.752 186 E HN 0.696 nan 8.360 nan 0.000 0.466 187 C N 0.374 119.647 119.300 -0.046 0.000 2.453 187 C HA -0.077 4.252 4.460 -0.218 0.000 0.277 187 C C 2.515 177.441 174.990 -0.106 0.000 1.262 187 C CA 0.320 59.298 59.018 -0.066 0.000 1.718 187 C CB -0.672 27.025 27.740 -0.072 0.000 2.031 187 C HN 0.413 nan 8.230 nan 0.000 0.480 188 I N 0.975 121.429 120.570 -0.193 0.000 2.286 188 I HA -0.207 3.833 4.170 -0.218 0.000 0.248 188 I C 2.657 178.689 176.117 -0.142 0.000 1.115 188 I CA 1.695 62.831 61.300 -0.272 0.000 1.392 188 I CB -0.671 36.923 38.000 -0.675 0.000 1.065 188 I HN 0.502 nan 8.210 nan 0.000 0.418 189 E N 0.837 120.993 120.200 -0.073 0.000 2.051 189 E HA -0.277 3.942 4.350 -0.218 0.000 0.192 189 E C 2.246 178.834 176.600 -0.019 0.000 0.991 189 E CA 1.190 57.582 56.400 -0.013 0.000 0.799 189 E CB 0.036 29.747 29.700 0.019 0.000 0.748 189 E HN 0.375 nan 8.360 nan 0.000 0.449 190 Q N 0.088 119.873 119.800 -0.025 0.000 2.084 190 Q HA -0.121 4.088 4.340 -0.218 0.000 0.202 190 Q C 2.125 178.112 176.000 -0.021 0.000 0.978 190 Q CA 1.451 57.243 55.803 -0.019 0.000 0.844 190 Q CB -0.373 28.355 28.738 -0.018 0.000 0.898 190 Q HN 0.421 nan 8.270 nan 0.000 0.426 191 A N 0.633 123.431 122.820 -0.036 0.000 1.908 191 A HA -0.162 4.028 4.320 -0.218 0.000 0.218 191 A C 2.248 179.823 177.584 -0.015 0.000 1.181 191 A CA 1.223 53.242 52.037 -0.030 0.000 0.627 191 A CB -0.760 18.211 19.000 -0.050 0.000 0.818 191 A HN 0.354 nan 8.150 nan 0.000 0.445 192 L N -0.878 120.333 121.223 -0.021 0.000 2.083 192 L HA -0.193 4.017 4.340 -0.218 0.000 0.209 192 L C 2.584 179.454 176.870 0.001 0.000 1.083 192 L CA 1.577 56.412 54.840 -0.007 0.000 0.752 192 L CB -0.362 41.688 42.059 -0.016 0.000 0.899 192 L HN 0.362 nan 8.230 nan 0.000 0.433 193 K N -0.384 120.014 120.400 -0.003 0.000 2.025 193 K HA -0.188 4.001 4.320 -0.218 0.000 0.207 193 K C 2.178 178.780 176.600 0.004 0.000 1.049 193 K CA 1.305 57.593 56.287 0.001 0.000 0.933 193 K CB -0.113 32.387 32.500 -0.000 0.000 0.714 193 K HN 0.369 nan 8.250 nan 0.000 0.438 194 Q N 0.482 120.284 119.800 0.003 0.000 2.084 194 Q HA -0.135 4.074 4.340 -0.218 0.000 0.202 194 Q C 1.657 177.663 176.000 0.011 0.000 0.978 194 Q CA 1.033 56.839 55.803 0.005 0.000 0.844 194 Q CB 0.131 28.870 28.738 0.002 0.000 0.898 194 Q HN 0.236 nan 8.270 nan 0.000 0.426 195 E N 0.549 120.758 120.200 0.015 0.000 2.482 195 E HA -0.080 4.140 4.350 -0.218 0.000 0.196 195 E C -0.228 176.389 176.600 0.029 0.000 1.047 195 E CA 0.251 56.666 56.400 0.026 0.000 0.869 195 E CB 0.143 29.866 29.700 0.038 0.000 0.836 195 E HN 0.348 nan 8.360 nan 0.000 0.520 196 Q N -0.016 119.797 119.800 0.021 0.000 2.460 196 Q HA -0.191 4.018 4.340 -0.218 0.000 0.311 196 Q C -0.651 175.366 176.000 0.029 0.000 1.396 196 Q CA 0.371 56.187 55.803 0.021 0.000 0.838 196 Q CB -1.764 26.986 28.738 0.020 0.000 1.140 196 Q HN 0.237 nan 8.270 nan 0.000 0.415 197 L N -0.422 120.817 121.223 0.027 0.000 2.323 197 L HA 0.637 4.846 4.340 -0.218 0.000 0.265 197 L C -2.084 174.787 176.870 0.002 0.000 1.012 197 L CA -2.582 52.278 54.840 0.033 0.000 0.820 197 L CB 1.486 43.582 42.059 0.061 0.000 1.334 197 L HN -0.106 nan 8.230 nan 0.000 0.427 198 P HA 0.008 nan 4.420 nan 0.000 0.264 198 P C -0.073 177.190 177.300 -0.061 0.000 1.193 198 P CA -0.188 62.890 63.100 -0.037 0.000 0.763 198 P CB 0.501 32.174 31.700 -0.045 0.000 0.810 199 Q N 2.744 122.519 119.800 -0.043 0.000 2.226 199 Q HA -0.141 4.069 4.340 -0.218 0.000 0.204 199 Q C 1.876 177.840 176.000 -0.059 0.000 0.975 199 Q CA 1.688 57.471 55.803 -0.033 0.000 0.866 199 Q CB -0.791 27.936 28.738 -0.018 0.000 0.915 199 Q HN 0.585 nan 8.270 nan 0.000 0.440 200 A N 0.363 123.129 122.820 -0.090 0.000 2.259 200 A HA -0.081 4.109 4.320 -0.218 0.000 0.212 200 A C 1.970 179.441 177.584 -0.188 0.000 1.178 200 A CA 0.394 52.354 52.037 -0.127 0.000 0.734 200 A CB -0.657 18.276 19.000 -0.113 0.000 0.774 200 A HN 0.308 nan 8.150 nan 0.000 0.481 201 I N -2.352 118.082 120.570 -0.227 0.000 2.394 201 I HA -0.068 3.971 4.170 -0.218 0.000 0.251 201 I C 0.536 176.512 176.117 -0.236 0.000 1.136 201 I CA 0.906 61.959 61.300 -0.412 0.000 1.425 201 I CB 0.053 37.700 38.000 -0.587 0.000 1.079 201 I HN 0.430 nan 8.210 nan 0.000 0.425 202 F N 0.205 120.004 119.950 -0.250 0.000 2.573 202 F HA 0.403 4.799 4.527 -0.219 0.000 0.316 202 F C -0.790 174.923 175.800 -0.145 0.000 1.148 202 F CA -0.415 57.472 58.000 -0.189 0.000 0.940 202 F CB 1.534 40.442 39.000 -0.153 0.000 1.214 202 F HN -0.395 nan 8.300 nan 0.000 0.448 203 T N 7.097 121.122 114.554 -0.881 0.000 2.881 203 T HA 0.510 4.729 4.350 -0.218 0.000 0.290 203 T C -1.563 172.685 174.700 -0.754 0.000 1.000 203 T CA -0.493 61.253 62.100 -0.591 0.000 0.978 203 T CB 1.633 70.278 68.868 -0.372 0.000 0.997 203 T HN 0.599 nan 8.240 nan 0.000 0.443 204 L N 4.408 125.402 121.223 -0.381 0.000 2.296 204 L HA 0.686 4.895 4.340 -0.218 0.000 0.286 204 L C -1.359 175.466 176.870 -0.076 0.000 1.023 204 L CA -0.458 54.259 54.840 -0.205 0.000 0.812 204 L CB 0.482 42.576 42.059 0.058 0.000 1.223 204 L HN 0.604 nan 8.230 nan 0.000 0.421 205 L N 4.795 125.978 121.223 -0.066 0.000 2.334 205 L HA 0.622 4.832 4.340 -0.218 0.000 0.273 205 L C -0.425 176.551 176.870 0.177 0.000 1.013 205 L CA -0.740 54.173 54.840 0.122 0.000 0.816 205 L CB 1.839 43.885 42.059 -0.021 0.000 1.278 205 L HN 0.587 nan 8.230 nan 0.000 0.431 206 Q N 1.368 121.353 119.800 0.308 0.000 2.423 206 Q HA 0.789 4.999 4.340 -0.218 0.000 0.278 206 Q C -0.654 175.356 176.000 0.017 0.000 1.097 206 Q CA -0.825 55.031 55.803 0.089 0.000 0.809 206 Q CB 3.213 32.005 28.738 0.089 0.000 1.391 206 Q HN 0.832 nan 8.270 nan 0.000 0.428 207 G N 1.352 110.121 108.800 -0.050 0.000 2.378 207 G HA2 0.052 3.881 3.960 -0.218 0.000 0.302 207 G HA3 0.052 3.881 3.960 -0.218 0.000 0.302 207 G C -0.599 173.942 174.900 -0.598 0.000 1.669 207 G CA -0.679 44.228 45.100 -0.321 0.000 0.920 207 G HN 0.595 nan 8.290 nan 0.000 0.697 208 N N -0.130 118.072 118.700 -0.829 0.000 2.235 208 N HA 0.061 4.671 4.740 -0.218 0.000 0.209 208 N C 0.143 175.485 175.510 -0.280 0.000 1.122 208 N CA -0.050 52.639 53.050 -0.603 0.000 0.845 208 N CB 0.704 38.763 38.487 -0.713 0.000 1.004 208 N HN 0.627 nan 8.380 nan 0.000 0.499 209 Q N 0.598 120.277 119.800 -0.201 0.000 2.372 209 Q HA 0.339 4.549 4.340 -0.218 0.000 0.259 209 Q C 0.390 176.359 176.000 -0.052 0.000 0.993 209 Q CA -0.805 54.940 55.803 -0.097 0.000 0.854 209 Q CB 1.675 30.374 28.738 -0.065 0.000 1.231 209 Q HN -0.030 nan 8.270 nan 0.000 0.462 210 R N 1.340 121.823 120.500 -0.029 0.000 2.211 210 R HA -0.181 4.029 4.340 -0.218 0.000 0.240 210 R C 1.642 177.961 176.300 0.033 0.000 1.144 210 R CA 1.188 57.294 56.100 0.010 0.000 0.992 210 R CB -0.788 29.517 30.300 0.009 0.000 0.869 210 R HN 0.705 nan 8.270 nan 0.000 0.462 211 A N 1.143 123.974 122.820 0.018 0.000 1.978 211 A HA -0.164 4.025 4.320 -0.218 0.000 0.220 211 A C 2.157 179.769 177.584 0.047 0.000 1.170 211 A CA 1.146 53.200 52.037 0.028 0.000 0.636 211 A CB -0.416 18.595 19.000 0.017 0.000 0.810 211 A HN 0.240 nan 8.150 nan 0.000 0.448 212 L N 0.106 121.356 121.223 0.044 0.000 1.970 212 L HA -0.048 4.162 4.340 -0.218 0.000 0.212 212 L C 2.424 179.355 176.870 0.101 0.000 1.071 212 L CA 2.612 57.485 54.840 0.055 0.000 0.751 212 L CB -1.283 40.795 42.059 0.033 0.000 0.889 212 L HN 0.277 nan 8.230 nan 0.000 0.432 213 G N -1.661 107.241 108.800 0.170 0.000 2.442 213 G HA2 -0.287 3.543 3.960 -0.218 0.000 0.219 213 G HA3 -0.287 3.543 3.960 -0.218 0.000 0.219 213 G C 1.478 176.567 174.900 0.315 0.000 1.141 213 G CA 0.860 46.188 45.100 0.380 0.000 0.763 213 G HN 0.568 nan 8.290 nan 0.000 0.554 214 Q N 0.068 119.970 119.800 0.169 0.000 2.079 214 Q HA 0.084 4.293 4.340 -0.218 0.000 0.200 214 Q C 2.970 179.033 176.000 0.104 0.000 0.974 214 Q CA 1.324 57.192 55.803 0.108 0.000 0.840 214 Q CB -0.228 28.543 28.738 0.056 0.000 0.898 214 Q HN 0.478 nan 8.270 nan 0.000 0.430 215 A N 0.447 123.326 122.820 0.098 0.000 1.930 215 A HA -0.140 4.050 4.320 -0.218 0.000 0.217 215 A C 1.981 179.641 177.584 0.126 0.000 1.175 215 A CA 0.922 53.013 52.037 0.091 0.000 0.627 215 A CB -0.487 18.558 19.000 0.075 0.000 0.815 215 A HN 0.348 nan 8.150 nan 0.000 0.443 216 L N -0.095 121.207 121.223 0.131 0.000 2.027 216 L HA -0.076 4.133 4.340 -0.218 0.000 0.206 216 L C 2.329 179.304 176.870 0.176 0.000 1.074 216 L CA 1.886 56.797 54.840 0.120 0.000 0.745 216 L CB -0.590 41.508 42.059 0.064 0.000 0.898 216 L HN 0.131 nan 8.230 nan 0.000 0.433 217 V N -0.854 119.203 119.914 0.238 0.000 2.594 217 V HA -0.205 3.785 4.120 -0.218 0.000 0.253 217 V C 2.316 178.488 176.094 0.130 0.000 1.069 217 V CA 1.810 64.246 62.300 0.228 0.000 1.082 217 V CB -0.467 31.503 31.823 0.245 0.000 0.680 217 V HN 0.512 nan 8.190 nan 0.000 0.469 218 S N -2.491 113.269 115.700 0.100 0.000 2.548 218 S HA 0.051 4.391 4.470 -0.218 0.000 0.215 218 S C 0.879 175.499 174.600 0.034 0.000 0.976 218 S CA -0.246 57.979 58.200 0.041 0.000 0.908 218 S CB -0.286 62.923 63.200 0.014 0.000 0.781 218 S HN 0.638 nan 8.310 nan 0.000 0.519 219 H N 4.054 123.130 119.070 0.011 0.000 3.004 219 H HA 0.048 4.473 4.556 -0.218 0.000 0.316 219 H C -1.679 173.644 175.328 -0.008 0.000 1.014 219 H CA -1.081 54.965 56.048 -0.003 0.000 1.454 219 H CB 1.179 30.936 29.762 -0.009 0.000 1.472 219 H HN 0.069 nan 8.280 nan 0.000 0.571 220 P HA -0.144 nan 4.420 nan 0.000 0.221 220 P C 0.715 178.072 177.300 0.094 0.000 1.145 220 P CA 0.990 64.059 63.100 -0.052 0.000 0.795 220 P CB 0.507 32.126 31.700 -0.136 0.000 0.775 221 E N -0.762 119.637 120.200 0.331 0.000 2.442 221 E HA 0.066 4.286 4.350 -0.218 0.000 0.195 221 E C 0.966 177.635 176.600 0.114 0.000 1.030 221 E CA 0.034 56.559 56.400 0.209 0.000 0.869 221 E CB -0.017 29.797 29.700 0.189 0.000 0.857 221 E HN 0.291 nan 8.360 nan 0.000 0.505 222 I N 1.755 122.406 120.570 0.134 0.000 2.441 222 I HA 0.014 4.053 4.170 -0.218 0.000 0.287 222 I C 1.227 177.386 176.117 0.069 0.000 1.049 222 I CA 0.118 61.459 61.300 0.068 0.000 1.381 222 I CB 0.959 39.007 38.000 0.081 0.000 1.409 222 I HN -0.232 nan 8.210 nan 0.000 0.523 223 K N 4.358 124.799 120.400 0.069 0.000 2.374 223 K HA 0.524 4.714 4.320 -0.218 0.000 0.202 223 K C -0.102 176.577 176.600 0.132 0.000 1.040 223 K CA 0.038 56.375 56.287 0.084 0.000 1.085 223 K CB 1.169 33.719 32.500 0.084 0.000 0.873 223 K HN 0.687 nan 8.250 nan 0.000 0.539 224 A N -0.056 122.865 122.820 0.168 0.000 2.583 224 A HA 0.597 4.786 4.320 -0.218 0.000 0.292 224 A C -1.572 176.180 177.584 0.279 0.000 1.045 224 A CA -0.617 51.595 52.037 0.292 0.000 0.672 224 A CB 1.244 20.589 19.000 0.576 0.000 1.283 224 A HN -0.144 nan 8.150 nan 0.000 0.419 225 V N 0.156 120.254 119.914 0.307 0.000 2.760 225 V HA 0.788 4.778 4.120 -0.218 0.000 0.309 225 V C 0.472 176.694 176.094 0.212 0.000 1.077 225 V CA -0.017 62.376 62.300 0.155 0.000 0.910 225 V CB 2.150 33.925 31.823 -0.080 0.000 1.008 225 V HN 1.666 nan 8.190 nan 0.000 0.424 226 G N 2.479 111.456 108.800 0.295 0.000 2.417 226 G HA2 0.724 4.554 3.960 -0.218 0.000 0.320 226 G HA3 0.724 4.554 3.960 -0.218 0.000 0.320 226 G C -1.651 173.450 174.900 0.335 0.000 1.204 226 G CA -0.389 44.952 45.100 0.403 0.000 0.923 226 G HN 0.561 nan 8.290 nan 0.000 0.466 227 F N 1.642 121.654 119.950 0.105 0.000 2.591 227 F HA 0.706 5.104 4.527 -0.216 0.000 0.309 227 F C -0.700 175.232 175.800 0.220 0.000 1.098 227 F CA -0.586 57.505 58.000 0.151 0.000 0.937 227 F CB 2.576 41.563 39.000 -0.020 0.000 1.250 227 F HN 0.407 nan 8.300 nan 0.000 0.447 228 T N 4.246 118.529 114.554 -0.453 0.000 2.949 228 T HA 0.771 4.990 4.350 -0.218 0.000 0.300 228 T C -0.273 174.091 174.700 -0.560 0.000 0.988 228 T CA -0.301 61.673 62.100 -0.211 0.000 0.993 228 T CB 1.077 69.977 68.868 0.053 0.000 0.984 228 T HN 1.143 nan 8.240 nan 0.000 0.442 229 G N 1.842 110.490 108.800 -0.254 0.000 2.392 229 G HA2 0.484 4.313 3.960 -0.218 0.000 0.260 229 G HA3 0.484 4.313 3.960 -0.218 0.000 0.260 229 G C -0.626 174.382 174.900 0.180 0.000 1.226 229 G CA -0.283 44.749 45.100 -0.113 0.000 0.913 229 G HN 0.927 nan 8.290 nan 0.000 0.483 230 S N -0.559 115.260 115.700 0.198 0.000 2.572 230 S HA 0.334 4.673 4.470 -0.218 0.000 0.279 230 S C 1.464 176.168 174.600 0.174 0.000 1.341 230 S CA 0.383 58.669 58.200 0.144 0.000 1.043 230 S CB 1.637 64.896 63.200 0.098 0.000 0.887 230 S HN 1.805 nan 8.310 nan 0.000 0.516 231 V N 3.702 123.662 119.914 0.078 0.000 2.407 231 V HA 0.005 3.994 4.120 -0.218 0.000 0.248 231 V C 2.208 178.308 176.094 0.009 0.000 1.055 231 V CA 2.639 64.949 62.300 0.016 0.000 1.049 231 V CB -1.439 30.370 31.823 -0.024 0.000 0.662 231 V HN 1.089 nan 8.190 nan 0.000 0.455 232 G N -0.425 108.393 108.800 0.029 0.000 2.453 232 G HA2 -0.165 3.665 3.960 -0.218 0.000 0.215 232 G HA3 -0.165 3.665 3.960 -0.218 0.000 0.215 232 G C 1.581 176.472 174.900 -0.014 0.000 1.201 232 G CA 0.839 45.948 45.100 0.014 0.000 0.784 232 G HN 0.672 nan 8.290 nan 0.000 0.545 233 G N 0.530 109.336 108.800 0.011 0.000 2.403 233 G HA2 0.142 3.971 3.960 -0.218 0.000 0.216 233 G HA3 0.142 3.971 3.960 -0.218 0.000 0.216 233 G C 1.774 176.532 174.900 -0.236 0.000 1.154 233 G CA 1.316 46.396 45.100 -0.033 0.000 0.784 233 G HN 0.616 nan 8.290 nan 0.000 0.538 234 G N 0.787 109.413 108.800 -0.290 0.000 2.446 234 G HA2 -0.241 3.588 3.960 -0.218 0.000 0.217 234 G HA3 -0.241 3.588 3.960 -0.218 0.000 0.217 234 G C 1.892 176.518 174.900 -0.455 0.000 1.168 234 G CA 1.218 45.858 45.100 -0.765 0.000 0.771 234 G HN 0.435 nan 8.290 nan 0.000 0.551 235 R N 1.230 121.604 120.500 -0.210 0.000 2.115 235 R HA 0.188 4.397 4.340 -0.218 0.000 0.230 235 R C 2.675 178.903 176.300 -0.120 0.000 1.111 235 R CA 1.636 57.665 56.100 -0.118 0.000 0.976 235 R CB -0.899 29.400 30.300 -0.002 0.000 0.870 235 R HN 0.246 nan 8.270 nan 0.000 0.445 236 A N 0.434 123.165 122.820 -0.148 0.000 1.902 236 A HA -0.068 4.122 4.320 -0.218 0.000 0.217 236 A C 2.227 179.696 177.584 -0.192 0.000 1.181 236 A CA 1.430 53.391 52.037 -0.126 0.000 0.623 236 A CB -0.573 18.370 19.000 -0.095 0.000 0.818 236 A HN 0.346 nan 8.150 nan 0.000 0.443 237 L N -1.983 119.057 121.223 -0.305 0.000 2.141 237 L HA -0.110 4.099 4.340 -0.218 0.000 0.209 237 L C 2.449 178.969 176.870 -0.584 0.000 1.094 237 L CA 1.287 55.933 54.840 -0.323 0.000 0.763 237 L CB -0.498 41.380 42.059 -0.301 0.000 0.908 237 L HN 0.542 nan 8.230 nan 0.000 0.437 238 F N 1.518 120.783 119.950 -1.142 0.000 2.075 238 F HA -0.229 4.168 4.527 -0.217 0.000 0.297 238 F C 2.379 177.930 175.800 -0.415 0.000 1.113 238 F CA 1.692 58.917 58.000 -1.293 0.000 1.218 238 F CB -0.279 38.151 39.000 -0.950 0.000 0.984 238 F HN 0.095 nan 8.300 nan 0.000 0.472 239 N N 0.868 119.448 118.700 -0.200 0.000 2.104 239 N HA -0.194 4.416 4.740 -0.218 0.000 0.190 239 N C 1.883 177.277 175.510 -0.192 0.000 1.024 239 N CA 1.451 54.405 53.050 -0.160 0.000 0.853 239 N CB -0.843 37.617 38.487 -0.046 0.000 1.008 239 N HN 0.309 nan 8.380 nan 0.000 0.424 240 L N 1.258 122.370 121.223 -0.185 0.000 2.042 240 L HA -0.064 4.145 4.340 -0.218 0.000 0.210 240 L C 2.117 178.888 176.870 -0.165 0.000 1.076 240 L CA 1.478 56.237 54.840 -0.135 0.000 0.749 240 L CB -1.024 40.980 42.059 -0.093 0.000 0.893 240 L HN 0.155 nan 8.230 nan 0.000 0.432 241 A N -1.901 120.778 122.820 -0.235 0.000 2.019 241 A HA -0.229 3.961 4.320 -0.218 0.000 0.219 241 A C 1.716 178.969 177.584 -0.552 0.000 1.164 241 A CA 1.778 53.639 52.037 -0.293 0.000 0.644 241 A CB -0.870 18.013 19.000 -0.194 0.000 0.805 241 A HN 0.678 nan 8.150 nan 0.000 0.449 242 H N -1.099 117.749 119.070 -0.370 0.000 2.586 242 H HA 0.246 4.671 4.556 -0.218 0.000 0.273 242 H C 1.203 176.416 175.328 -0.192 0.000 0.997 242 H CA 0.523 56.385 56.048 -0.310 0.000 1.177 242 H CB 0.406 29.898 29.762 -0.450 0.000 1.471 242 H HN 0.631 nan 8.280 nan 0.000 0.538 243 E N 0.254 120.386 120.200 -0.113 0.000 2.476 243 E HA 0.100 4.319 4.350 -0.218 0.000 0.199 243 E C 0.255 176.808 176.600 -0.078 0.000 1.021 243 E CA -0.177 56.177 56.400 -0.076 0.000 0.907 243 E CB 0.607 30.266 29.700 -0.068 0.000 0.974 243 E HN 0.291 nan 8.360 nan 0.000 0.489 244 R N 1.409 121.846 120.500 -0.104 0.000 2.756 244 R HA -0.015 4.195 4.340 -0.218 0.000 0.264 244 R C -1.633 174.624 176.300 -0.073 0.000 1.026 244 R CA -0.837 55.210 56.100 -0.088 0.000 1.121 244 R CB -0.116 30.123 30.300 -0.102 0.000 0.999 244 R HN -0.092 nan 8.270 nan 0.000 0.449 245 P HA -0.189 nan 4.420 nan 0.000 0.216 245 P C -0.350 176.921 177.300 -0.047 0.000 1.150 245 P CA 1.363 64.434 63.100 -0.048 0.000 0.843 245 P CB 0.227 31.900 31.700 -0.045 0.000 0.787 246 E N -0.336 119.831 120.200 -0.055 0.000 2.183 246 E HA 0.267 4.486 4.350 -0.218 0.000 0.250 246 E C -2.568 173.982 176.600 -0.085 0.000 0.901 246 E CA -2.887 53.482 56.400 -0.052 0.000 0.741 246 E CB 0.818 30.496 29.700 -0.035 0.000 1.182 246 E HN -0.010 nan 8.360 nan 0.000 0.425 247 P HA 0.056 nan 4.420 nan 0.000 0.266 247 P C -0.647 176.530 177.300 -0.206 0.000 1.195 247 P CA 0.299 63.271 63.100 -0.213 0.000 0.768 247 P CB 0.369 31.985 31.700 -0.141 0.000 0.838 248 I N -0.204 120.177 120.570 -0.315 0.000 2.689 248 I HA 0.652 4.692 4.170 -0.218 0.000 0.299 248 I C -2.803 173.200 176.117 -0.190 0.000 1.059 248 I CA -3.564 57.638 61.300 -0.163 0.000 1.055 248 I CB 2.130 40.097 38.000 -0.055 0.000 1.243 248 I HN 0.046 nan 8.210 nan 0.000 0.425 249 P HA 0.102 nan 4.420 nan 0.000 0.265 249 P C -1.310 175.881 177.300 -0.182 0.000 1.193 249 P CA 0.464 63.441 63.100 -0.206 0.000 0.765 249 P CB 0.106 31.653 31.700 -0.255 0.000 0.823 250 F N 4.177 123.925 119.950 -0.337 0.000 2.496 250 F HA 0.388 4.783 4.527 -0.219 0.000 0.341 250 F C -1.195 174.530 175.800 -0.124 0.000 1.134 250 F CA -0.862 57.099 58.000 -0.065 0.000 0.968 250 F CB 0.788 39.907 39.000 0.199 0.000 1.205 250 F HN 0.214 nan 8.300 nan 0.000 0.436 251 Y N 4.567 124.929 120.300 0.102 0.000 2.700 251 Y HA 0.566 4.985 4.550 -0.219 0.000 0.333 251 Y C 0.616 176.643 175.900 0.211 0.000 1.036 251 Y CA -1.010 57.198 58.100 0.180 0.000 1.287 251 Y CB 1.202 39.688 38.460 0.043 0.000 1.132 251 Y HN 0.683 nan 8.280 nan 0.000 0.510 252 G N 1.766 110.865 108.800 0.499 0.000 2.530 252 G HA2 0.536 4.365 3.960 -0.218 0.000 0.316 252 G HA3 0.536 4.365 3.960 -0.218 0.000 0.316 252 G C -1.108 174.044 174.900 0.421 0.000 1.298 252 G CA -0.822 44.616 45.100 0.565 0.000 0.948 252 G HN 0.333 nan 8.290 nan 0.000 0.486 253 E N 1.939 122.371 120.200 0.386 0.000 2.081 253 E HA 0.314 4.533 4.350 -0.218 0.000 0.281 253 E C 0.943 177.677 176.600 0.224 0.000 0.986 253 E CA -0.336 56.202 56.400 0.229 0.000 0.796 253 E CB 1.599 31.417 29.700 0.197 0.000 1.085 253 E HN 0.373 nan 8.360 nan 0.000 0.398 254 L N 1.469 122.760 121.223 0.114 0.000 2.513 254 L HA 0.456 4.665 4.340 -0.218 0.000 0.222 254 L C 0.921 177.811 176.870 0.032 0.000 1.096 254 L CA 0.089 54.979 54.840 0.083 0.000 0.857 254 L CB 0.040 42.060 42.059 -0.065 0.000 1.026 254 L HN 0.612 nan 8.230 nan 0.000 0.469 255 G N -0.124 108.686 108.800 0.017 0.000 2.347 255 G HA2 0.469 4.299 3.960 -0.218 0.000 0.321 255 G HA3 0.469 4.299 3.960 -0.218 0.000 0.321 255 G C -1.885 173.042 174.900 0.044 0.000 1.412 255 G CA -0.181 44.948 45.100 0.049 0.000 0.990 255 G HN 0.270 nan 8.290 nan 0.000 0.637 256 A N -0.951 121.928 122.820 0.098 0.000 2.567 256 A HA 0.761 4.951 4.320 -0.218 0.000 0.291 256 A C 0.325 178.001 177.584 0.154 0.000 1.048 256 A CA 0.087 52.190 52.037 0.109 0.000 0.661 256 A CB 0.413 19.469 19.000 0.094 0.000 1.288 256 A HN 2.244 nan 8.150 nan 0.000 0.424 257 I N -2.151 118.520 120.570 0.169 0.000 4.082 257 I HA 0.273 4.312 4.170 -0.218 0.000 0.337 257 I C -0.034 176.188 176.117 0.175 0.000 1.352 257 I CA -0.172 61.237 61.300 0.182 0.000 1.097 257 I CB -0.050 38.075 38.000 0.207 0.000 1.048 257 I HN 0.489 nan 8.210 nan 0.000 0.393 258 N N 2.905 121.711 118.700 0.176 0.000 2.650 258 N HA -0.109 4.500 4.740 -0.218 0.000 0.272 258 N C -2.173 173.443 175.510 0.177 0.000 1.058 258 N CA 0.576 53.735 53.050 0.181 0.000 0.765 258 N CB -1.099 37.504 38.487 0.193 0.000 0.902 258 N HN 0.431 nan 8.380 nan 0.000 0.551 259 P HA -0.010 nan 4.420 nan 0.000 0.264 259 P C -0.270 177.106 177.300 0.127 0.000 1.183 259 P CA 0.613 63.806 63.100 0.154 0.000 0.763 259 P CB 0.667 32.558 31.700 0.318 0.000 0.807 260 T N 3.881 118.401 114.554 -0.057 0.000 2.841 260 T HA 0.504 4.723 4.350 -0.218 0.000 0.285 260 T C -0.604 173.984 174.700 -0.187 0.000 0.991 260 T CA -0.094 62.010 62.100 0.005 0.000 0.966 260 T CB 0.351 69.264 68.868 0.076 0.000 0.962 260 T HN 0.089 nan 8.240 nan 0.000 0.438 261 F N 2.945 122.930 119.950 0.057 0.000 2.426 261 F HA 0.592 4.991 4.527 -0.214 0.000 0.348 261 F C 0.177 175.953 175.800 -0.039 0.000 1.124 261 F CA -1.126 56.875 58.000 0.001 0.000 1.008 261 F CB 0.976 39.976 39.000 -0.001 0.000 1.139 261 F HN 0.332 nan 8.300 nan 0.000 0.452 262 I N 4.437 124.981 120.570 -0.044 0.000 2.382 262 I HA 0.309 4.349 4.170 -0.218 0.000 0.286 262 I C -0.754 175.276 176.117 -0.145 0.000 1.002 262 I CA -0.597 60.664 61.300 -0.064 0.000 1.135 262 I CB 1.092 38.925 38.000 -0.279 0.000 1.288 262 I HN 0.343 nan 8.210 nan 0.000 0.448 263 F N 7.212 127.151 119.950 -0.018 0.000 2.382 263 F HA 0.311 4.707 4.527 -0.217 0.000 0.331 263 F C -1.293 174.483 175.800 -0.041 0.000 1.121 263 F CA -1.633 56.361 58.000 -0.010 0.000 1.183 263 F CB 0.285 39.300 39.000 0.027 0.000 1.207 263 F HN 0.313 nan 8.300 nan 0.000 0.555 264 P HA -0.213 nan 4.420 nan 0.000 0.216 264 P C 1.624 178.970 177.300 0.076 0.000 1.153 264 P CA 2.335 65.474 63.100 0.064 0.000 0.858 264 P CB -0.010 31.727 31.700 0.062 0.000 0.789 265 S N -0.680 115.084 115.700 0.107 0.000 2.399 265 S HA -0.144 4.196 4.470 -0.218 0.000 0.231 265 S C 2.066 176.703 174.600 0.063 0.000 1.022 265 S CA 1.225 59.465 58.200 0.068 0.000 0.983 265 S CB -1.380 61.847 63.200 0.045 0.000 0.803 265 S HN 0.120 nan 8.310 nan 0.000 0.480 266 A N 1.978 124.850 122.820 0.086 0.000 1.930 266 A HA 0.151 4.340 4.320 -0.218 0.000 0.217 266 A C 2.344 179.960 177.584 0.054 0.000 1.175 266 A CA 1.503 53.582 52.037 0.070 0.000 0.627 266 A CB -0.734 18.322 19.000 0.094 0.000 0.815 266 A HN 0.602 nan 8.150 nan 0.000 0.443 267 M N -1.165 118.458 119.600 0.038 0.000 2.296 267 M HA -0.100 4.249 4.480 -0.218 0.000 0.265 267 M C 2.283 178.626 176.300 0.072 0.000 1.064 267 M CA 1.160 56.495 55.300 0.057 0.000 1.109 267 M CB -0.229 32.384 32.600 0.023 0.000 1.396 267 M HN 0.337 nan 8.290 nan 0.000 0.430 268 R N 0.090 120.623 120.500 0.055 0.000 2.075 268 R HA 0.048 4.258 4.340 -0.218 0.000 0.226 268 R C 2.335 178.663 176.300 0.047 0.000 1.114 268 R CA 1.271 57.400 56.100 0.048 0.000 0.972 268 R CB -0.359 29.964 30.300 0.038 0.000 0.869 268 R HN 0.326 nan 8.270 nan 0.000 0.437 269 A N 1.266 124.116 122.820 0.048 0.000 2.067 269 A HA -0.070 4.119 4.320 -0.218 0.000 0.219 269 A C 0.549 178.168 177.584 0.058 0.000 1.158 269 A CA 1.010 53.076 52.037 0.048 0.000 0.661 269 A CB 0.116 19.143 19.000 0.046 0.000 0.801 269 A HN 0.113 nan 8.150 nan 0.000 0.452 270 K N -0.619 119.823 120.400 0.071 0.000 2.626 270 K HA 0.509 4.698 4.320 -0.218 0.000 0.223 270 K C 0.605 177.257 176.600 0.087 0.000 0.992 270 K CA 0.211 56.548 56.287 0.083 0.000 1.024 270 K CB 1.485 34.048 32.500 0.105 0.000 1.225 270 K HN 0.150 nan 8.250 nan 0.000 0.498 271 A N 2.219 125.079 122.820 0.065 0.000 1.986 271 A HA -0.192 3.997 4.320 -0.218 0.000 0.220 271 A C 1.350 178.965 177.584 0.052 0.000 1.171 271 A CA 1.958 54.028 52.037 0.056 0.000 0.640 271 A CB -0.250 18.772 19.000 0.036 0.000 0.811 271 A HN 0.789 nan 8.150 nan 0.000 0.451 272 D N -0.757 119.674 120.400 0.052 0.000 2.460 272 D HA 0.106 4.616 4.640 -0.218 0.000 0.229 272 D C 1.130 177.464 176.300 0.058 0.000 1.170 272 D CA -0.284 53.733 54.000 0.029 0.000 0.827 272 D CB -0.119 40.691 40.800 0.016 0.000 0.973 272 D HN 0.232 nan 8.370 nan 0.000 0.496 273 L N 1.311 122.613 121.223 0.131 0.000 2.046 273 L HA -0.021 4.189 4.340 -0.218 0.000 0.208 273 L C 2.384 179.385 176.870 0.218 0.000 1.077 273 L CA 1.797 56.788 54.840 0.252 0.000 0.747 273 L CB -0.724 41.531 42.059 0.327 0.000 0.896 273 L HN 0.164 nan 8.230 nan 0.000 0.432 274 A N -0.747 122.040 122.820 -0.056 0.000 1.902 274 A HA -0.249 3.941 4.320 -0.218 0.000 0.217 274 A C 1.912 179.328 177.584 -0.280 0.000 1.181 274 A CA 2.010 53.704 52.037 -0.572 0.000 0.623 274 A CB -0.915 17.615 19.000 -0.785 0.000 0.818 274 A HN 0.536 nan 8.150 nan 0.000 0.443 275 D N -0.522 119.764 120.400 -0.190 0.000 2.117 275 D HA -0.155 4.354 4.640 -0.218 0.000 0.197 275 D C 2.188 178.346 176.300 -0.237 0.000 0.987 275 D CA 1.521 55.408 54.000 -0.188 0.000 0.829 275 D CB -0.259 40.466 40.800 -0.124 0.000 0.961 275 D HN 0.590 nan 8.370 nan 0.000 0.460 276 Q N -0.743 118.939 119.800 -0.198 0.000 2.084 276 Q HA -0.166 4.044 4.340 -0.218 0.000 0.202 276 Q C 1.947 177.459 176.000 -0.813 0.000 0.978 276 Q CA 0.910 56.498 55.803 -0.360 0.000 0.844 276 Q CB -0.207 28.486 28.738 -0.075 0.000 0.898 276 Q HN 0.329 nan 8.270 nan 0.000 0.426 277 F N 0.890 120.310 119.950 -0.883 0.000 2.069 277 F HA -0.216 4.197 4.527 -0.190 0.000 0.298 277 F C 1.980 177.415 175.800 -0.608 0.000 1.113 277 F CA 1.217 58.616 58.000 -1.001 0.000 1.214 277 F CB -0.655 38.141 39.000 -0.340 0.000 0.978 277 F HN -0.202 nan 8.300 nan 0.000 0.474 278 V N 0.896 120.358 119.914 -0.753 0.000 2.469 278 V HA -0.315 3.675 4.120 -0.218 0.000 0.251 278 V C 2.777 178.530 176.094 -0.568 0.000 1.064 278 V CA 1.819 63.679 62.300 -0.733 0.000 1.066 278 V CB -1.736 29.820 31.823 -0.444 0.000 0.667 278 V HN 0.547 nan 8.190 nan 0.000 0.461 279 A N -0.999 121.527 122.820 -0.490 0.000 1.968 279 A HA -0.178 4.012 4.320 -0.218 0.000 0.217 279 A C 2.531 179.864 177.584 -0.418 0.000 1.169 279 A CA 1.940 53.745 52.037 -0.386 0.000 0.638 279 A CB -0.552 18.260 19.000 -0.313 0.000 0.812 279 A HN 0.482 nan 8.150 nan 0.000 0.446 280 S N 0.064 115.445 115.700 -0.533 0.000 2.357 280 S HA -0.157 4.183 4.470 -0.218 0.000 0.221 280 S C 2.173 176.556 174.600 -0.362 0.000 1.031 280 S CA 1.637 59.585 58.200 -0.420 0.000 0.982 280 S CB -0.494 62.458 63.200 -0.412 0.000 0.853 280 S HN 0.673 nan 8.310 nan 0.000 0.458 281 M N 0.892 120.217 119.600 -0.458 0.000 2.476 281 M HA 0.075 4.424 4.480 -0.218 0.000 0.262 281 M C 1.596 177.711 176.300 -0.309 0.000 1.079 281 M CA 1.701 56.784 55.300 -0.362 0.000 1.104 281 M CB -0.821 31.460 32.600 -0.531 0.000 1.409 281 M HN 0.350 nan 8.290 nan 0.000 0.467 282 T N -2.502 111.848 114.554 -0.339 0.000 3.054 282 T HA 0.339 4.559 4.350 -0.218 0.000 0.255 282 T C 0.503 175.062 174.700 -0.236 0.000 1.035 282 T CA -0.497 61.445 62.100 -0.263 0.000 0.941 282 T CB -0.099 68.619 68.868 -0.250 0.000 1.026 282 T HN 0.436 nan 8.240 nan 0.000 0.533 283 M N 2.126 121.543 119.600 -0.305 0.000 2.239 283 M HA 0.399 4.748 4.480 -0.218 0.000 0.348 283 M C 1.283 177.487 176.300 -0.161 0.000 1.239 283 M CA 1.367 56.470 55.300 -0.329 0.000 1.114 283 M CB -0.013 32.214 32.600 -0.623 0.000 1.641 283 M HN 0.549 nan 8.290 nan 0.000 0.453 284 G N 3.483 112.295 108.800 0.019 0.000 2.258 284 G HA2 -0.283 3.547 3.960 -0.218 0.000 0.274 284 G HA3 -0.283 3.547 3.960 -0.218 0.000 0.274 284 G C 0.410 175.312 174.900 0.004 0.000 1.021 284 G CA 0.040 45.233 45.100 0.155 0.000 0.798 284 G HN 1.141 nan 8.290 nan 0.000 0.507 285 C N -2.265 116.987 119.300 -0.079 0.000 4.365 285 C HA 0.035 4.364 4.460 -0.218 0.000 0.299 285 C C 2.429 177.295 174.990 -0.207 0.000 1.409 285 C CA 1.256 60.186 59.018 -0.147 0.000 2.007 285 C CB -1.963 25.688 27.740 -0.149 0.000 1.264 285 C HN 2.720 nan 8.230 nan 0.000 0.777 286 G N -0.549 108.149 108.800 -0.170 0.000 2.168 286 G HA2 -0.324 3.505 3.960 -0.218 0.000 0.263 286 G HA3 -0.324 3.505 3.960 -0.218 0.000 0.263 286 G C 0.182 174.920 174.900 -0.269 0.000 0.977 286 G CA 0.728 45.711 45.100 -0.194 0.000 0.659 286 G HN 0.858 nan 8.290 nan 0.000 0.533 287 Q N -0.463 119.210 119.800 -0.213 0.000 2.414 287 Q HA 0.474 4.683 4.340 -0.218 0.000 0.286 287 Q C -0.472 175.581 176.000 0.089 0.000 0.941 287 Q CA -0.076 55.479 55.803 -0.414 0.000 0.951 287 Q CB 0.082 28.684 28.738 -0.227 0.000 1.188 287 Q HN 0.421 nan 8.270 nan 0.000 0.418 288 F N -0.677 119.256 119.950 -0.028 0.000 2.443 288 F HA 0.129 4.514 4.527 -0.236 0.000 0.335 288 F C 1.311 177.251 175.800 0.233 0.000 1.104 288 F CA -1.694 56.425 58.000 0.198 0.000 1.013 288 F CB 1.008 40.103 39.000 0.158 0.000 1.136 288 F HN 0.249 nan 8.300 nan 0.000 0.470 289 C N -1.515 117.987 119.300 0.338 0.000 2.432 289 C HA -0.064 4.266 4.460 -0.218 0.000 0.282 289 C C 1.913 177.063 174.990 0.267 0.000 1.388 289 C CA 0.913 60.095 59.018 0.273 0.000 1.777 289 C CB -1.965 25.848 27.740 0.121 0.000 1.882 289 C HN 0.871 nan 8.230 nan 0.000 0.520 290 T N -2.375 112.375 114.554 0.326 0.000 3.145 290 T HA 0.126 4.346 4.350 -0.218 0.000 0.255 290 T C 0.390 175.259 174.700 0.281 0.000 1.039 290 T CA -0.244 62.035 62.100 0.298 0.000 0.928 290 T CB -0.323 68.743 68.868 0.330 0.000 1.029 290 T HN 0.638 nan 8.240 nan 0.000 0.554 291 K N 3.462 124.027 120.400 0.275 0.000 2.451 291 K HA 0.096 4.285 4.320 -0.218 0.000 0.280 291 K C -2.384 174.334 176.600 0.197 0.000 1.020 291 K CA -1.546 54.854 56.287 0.189 0.000 1.008 291 K CB 0.414 32.992 32.500 0.130 0.000 0.917 291 K HN 0.114 nan 8.250 nan 0.000 0.478 292 P HA 0.016 nan 4.420 nan 0.000 0.268 292 P C 0.119 177.569 177.300 0.249 0.000 1.282 292 P CA 0.048 63.325 63.100 0.294 0.000 0.880 292 P CB 0.761 32.754 31.700 0.489 0.000 0.971 293 G N 2.751 111.661 108.800 0.183 0.000 2.683 293 G HA2 0.122 3.951 3.960 -0.218 0.000 0.213 293 G HA3 0.122 3.951 3.960 -0.218 0.000 0.213 293 G C 0.049 174.996 174.900 0.078 0.000 1.142 293 G CA 0.204 45.393 45.100 0.149 0.000 0.793 293 G HN 0.515 nan 8.290 nan 0.000 0.534 294 V N 0.349 120.248 119.914 -0.024 0.000 2.777 294 V HA 0.603 4.592 4.120 -0.218 0.000 0.306 294 V C -1.526 174.279 176.094 -0.482 0.000 1.112 294 V CA -0.687 61.428 62.300 -0.308 0.000 0.917 294 V CB 2.370 33.898 31.823 -0.491 0.000 1.018 294 V HN -0.113 nan 8.190 nan 0.000 0.426 295 V N 7.502 127.053 119.914 -0.606 0.000 2.409 295 V HA 0.554 4.544 4.120 -0.218 0.000 0.291 295 V C -0.661 174.946 176.094 -0.812 0.000 1.020 295 V CA -0.438 61.495 62.300 -0.612 0.000 0.848 295 V CB 1.533 33.033 31.823 -0.539 0.000 0.990 295 V HN 0.730 nan 8.190 nan 0.000 0.430 296 F N 3.514 123.109 119.950 -0.593 0.000 2.408 296 F HA 0.797 5.197 4.527 -0.212 0.000 0.344 296 F C 0.581 176.128 175.800 -0.421 0.000 1.112 296 F CA -0.156 57.516 58.000 -0.546 0.000 1.096 296 F CB 1.617 40.189 39.000 -0.713 0.000 1.129 296 F HN 0.583 nan 8.300 nan 0.000 0.486 297 A N 3.585 126.292 122.820 -0.189 0.000 2.566 297 A HA 0.831 5.020 4.320 -0.218 0.000 0.292 297 A C -1.272 176.218 177.584 -0.156 0.000 1.112 297 A CA -0.822 51.076 52.037 -0.231 0.000 0.707 297 A CB 1.279 20.088 19.000 -0.318 0.000 1.302 297 A HN 0.681 nan 8.150 nan 0.000 0.409 298 L N 0.692 121.820 121.223 -0.159 0.000 2.399 298 L HA 0.338 4.547 4.340 -0.218 0.000 0.266 298 L C 0.910 177.742 176.870 -0.064 0.000 1.114 298 L CA -0.417 54.366 54.840 -0.096 0.000 0.804 298 L CB 0.894 42.903 42.059 -0.084 0.000 1.146 298 L HN 0.909 nan 8.230 nan 0.000 0.451 299 N N 1.061 119.742 118.700 -0.032 0.000 2.971 299 N HA 0.033 4.643 4.740 -0.218 0.000 0.294 299 N C -0.631 174.875 175.510 -0.007 0.000 1.210 299 N CA -0.260 52.782 53.050 -0.015 0.000 1.157 299 N CB 0.142 38.629 38.487 0.001 0.000 1.450 299 N HN 0.691 nan 8.380 nan 0.000 0.527 300 T N -1.572 112.975 114.554 -0.012 0.000 2.907 300 T HA 0.393 4.613 4.350 -0.218 0.000 0.290 300 T C -2.097 172.607 174.700 0.006 0.000 1.066 300 T CA -1.770 60.330 62.100 0.000 0.000 1.012 300 T CB 1.771 70.640 68.868 0.001 0.000 1.184 300 T HN -0.116 nan 8.240 nan 0.000 0.522 301 P HA -0.049 nan 4.420 nan 0.000 0.218 301 P C 1.120 178.438 177.300 0.030 0.000 1.148 301 P CA 1.042 64.154 63.100 0.020 0.000 0.822 301 P CB 0.061 31.773 31.700 0.019 0.000 0.784 302 E N -1.177 119.039 120.200 0.028 0.000 2.085 302 E HA -0.144 4.076 4.350 -0.218 0.000 0.194 302 E C 1.971 178.608 176.600 0.061 0.000 0.994 302 E CA 1.732 58.157 56.400 0.042 0.000 0.801 302 E CB -1.229 28.486 29.700 0.025 0.000 0.743 302 E HN 0.218 nan 8.360 nan 0.000 0.453 303 T N 0.249 114.811 114.554 0.014 0.000 2.821 303 T HA -0.168 4.051 4.350 -0.218 0.000 0.267 303 T C 1.802 176.553 174.700 0.086 0.000 1.046 303 T CA 1.313 63.417 62.100 0.006 0.000 1.139 303 T CB -0.184 68.645 68.868 -0.065 0.000 0.871 303 T HN 0.041 nan 8.240 nan 0.000 0.454 304 Q N 1.442 121.275 119.800 0.054 0.000 2.084 304 Q HA 0.078 4.288 4.340 -0.218 0.000 0.202 304 Q C 2.267 178.305 176.000 0.063 0.000 0.978 304 Q CA 1.809 57.641 55.803 0.049 0.000 0.844 304 Q CB -0.720 28.035 28.738 0.027 0.000 0.898 304 Q HN 0.498 nan 8.270 nan 0.000 0.426 305 A N -0.532 122.332 122.820 0.073 0.000 1.898 305 A HA -0.119 4.070 4.320 -0.218 0.000 0.216 305 A C 2.021 179.655 177.584 0.084 0.000 1.181 305 A CA 1.241 53.315 52.037 0.062 0.000 0.620 305 A CB -0.995 18.042 19.000 0.060 0.000 0.819 305 A HN 0.532 nan 8.150 nan 0.000 0.442 306 F N 0.797 120.733 119.950 -0.024 0.000 2.069 306 F HA -0.211 4.187 4.527 -0.216 0.000 0.298 306 F C 2.038 177.822 175.800 -0.027 0.000 1.113 306 F CA 2.025 60.009 58.000 -0.027 0.000 1.214 306 F CB -0.263 38.709 39.000 -0.048 0.000 0.978 306 F HN 0.186 nan 8.300 nan 0.000 0.474 307 I N 0.297 120.995 120.570 0.214 0.000 2.151 307 I HA -0.337 3.703 4.170 -0.218 0.000 0.243 307 I C 2.331 178.429 176.117 -0.032 0.000 1.080 307 I CA 1.950 63.301 61.300 0.086 0.000 1.339 307 I CB -0.644 37.403 38.000 0.079 0.000 1.039 307 I HN 0.272 nan 8.210 nan 0.000 0.409 308 E N 0.040 120.226 120.200 -0.024 0.000 2.110 308 E HA -0.179 4.040 4.350 -0.218 0.000 0.193 308 E C 2.118 178.668 176.600 -0.083 0.000 0.988 308 E CA 1.770 58.142 56.400 -0.047 0.000 0.804 308 E CB -0.041 29.644 29.700 -0.026 0.000 0.745 308 E HN 0.499 nan 8.360 nan 0.000 0.458 309 T N 0.665 115.148 114.554 -0.117 0.000 2.770 309 T HA -0.110 4.110 4.350 -0.218 0.000 0.263 309 T C 2.007 176.594 174.700 -0.188 0.000 1.039 309 T CA 1.111 63.121 62.100 -0.150 0.000 1.142 309 T CB -0.224 68.535 68.868 -0.181 0.000 0.868 309 T HN 0.234 nan 8.240 nan 0.000 0.435 310 A N 1.546 124.213 122.820 -0.255 0.000 1.883 310 A HA -0.218 3.972 4.320 -0.218 0.000 0.217 310 A C 2.298 179.791 177.584 -0.152 0.000 1.186 310 A CA 1.808 53.714 52.037 -0.219 0.000 0.624 310 A CB -0.824 18.074 19.000 -0.170 0.000 0.822 310 A HN 0.543 nan 8.150 nan 0.000 0.444 311 Q N -0.847 118.879 119.800 -0.123 0.000 2.045 311 Q HA -0.189 4.021 4.340 -0.218 0.000 0.206 311 Q C 2.510 178.445 176.000 -0.108 0.000 0.991 311 Q CA 1.895 57.629 55.803 -0.114 0.000 0.851 311 Q CB -0.318 28.362 28.738 -0.096 0.000 0.911 311 Q HN 0.669 nan 8.270 nan 0.000 0.418 312 S N 0.228 115.868 115.700 -0.099 0.000 2.370 312 S HA -0.129 4.210 4.470 -0.218 0.000 0.226 312 S C 1.879 176.423 174.600 -0.095 0.000 1.033 312 S CA 0.945 59.094 58.200 -0.086 0.000 1.011 312 S CB -0.181 62.973 63.200 -0.077 0.000 0.852 312 S HN 0.281 nan 8.310 nan 0.000 0.457 313 L N 0.979 122.131 121.223 -0.118 0.000 2.056 313 L HA -0.075 4.134 4.340 -0.218 0.000 0.207 313 L C 2.407 179.201 176.870 -0.127 0.000 1.078 313 L CA 0.795 55.558 54.840 -0.128 0.000 0.749 313 L CB -0.513 41.447 42.059 -0.164 0.000 0.901 313 L HN 0.337 nan 8.230 nan 0.000 0.433 314 I N 0.160 120.648 120.570 -0.137 0.000 2.208 314 I HA -0.288 3.751 4.170 -0.218 0.000 0.245 314 I C 2.681 178.745 176.117 -0.087 0.000 1.097 314 I CA 1.591 62.814 61.300 -0.129 0.000 1.363 314 I CB -1.024 36.889 38.000 -0.146 0.000 1.051 314 I HN 0.322 nan 8.210 nan 0.000 0.413 315 R N 0.441 120.895 120.500 -0.077 0.000 2.127 315 R HA -0.188 4.021 4.340 -0.218 0.000 0.238 315 R C 1.988 178.261 176.300 -0.044 0.000 1.134 315 R CA 1.146 57.216 56.100 -0.049 0.000 0.975 315 R CB -0.262 30.009 30.300 -0.047 0.000 0.865 315 R HN 0.591 nan 8.270 nan 0.000 0.447 316 Q N 0.151 119.916 119.800 -0.058 0.000 2.424 316 Q HA 0.025 4.234 4.340 -0.218 0.000 0.204 316 Q C 0.116 176.082 176.000 -0.057 0.000 0.933 316 Q CA 0.073 55.843 55.803 -0.054 0.000 0.929 316 Q CB 0.303 29.005 28.738 -0.061 0.000 1.037 316 Q HN 0.174 nan 8.270 nan 0.000 0.511 317 Q N 1.896 121.656 119.800 -0.066 0.000 2.304 317 Q HA -0.002 4.208 4.340 -0.218 0.000 0.301 317 Q C 0.174 176.144 176.000 -0.050 0.000 1.063 317 Q CA 0.389 56.150 55.803 -0.070 0.000 0.947 317 Q CB 0.694 29.383 28.738 -0.083 0.000 1.201 317 Q HN 0.270 nan 8.270 nan 0.000 0.389 318 S N 2.714 118.384 115.700 -0.050 0.000 2.593 318 S HA 0.412 4.751 4.470 -0.218 0.000 0.269 318 S C -2.268 172.312 174.600 -0.034 0.000 1.334 318 S CA -1.263 56.916 58.200 -0.036 0.000 1.015 318 S CB 0.351 63.533 63.200 -0.031 0.000 0.912 318 S HN 0.294 nan 8.310 nan 0.000 0.541 319 P HA 0.190 nan 4.420 nan 0.000 0.266 319 P C -0.787 176.497 177.300 -0.028 0.000 1.193 319 P CA 0.065 63.153 63.100 -0.020 0.000 0.770 319 P CB 0.411 32.106 31.700 -0.007 0.000 0.836 320 S N 0.948 116.619 115.700 -0.049 0.000 2.472 320 S HA 0.463 4.802 4.470 -0.218 0.000 0.303 320 S C -0.364 174.193 174.600 -0.071 0.000 1.099 320 S CA -0.527 57.628 58.200 -0.074 0.000 1.077 320 S CB 1.012 64.128 63.200 -0.140 0.000 1.031 320 S HN 0.284 nan 8.310 nan 0.000 0.487 321 T N 4.001 118.517 114.554 -0.063 0.000 2.801 321 T HA 0.401 4.621 4.350 -0.218 0.000 0.306 321 T C 0.268 174.886 174.700 -0.136 0.000 1.020 321 T CA -0.434 61.616 62.100 -0.084 0.000 0.948 321 T CB -0.010 68.809 68.868 -0.080 0.000 0.962 321 T HN 0.348 nan 8.240 nan 0.000 0.465 322 L N 2.956 124.106 121.223 -0.121 0.000 2.479 322 L HA 0.362 4.572 4.340 -0.218 0.000 0.248 322 L C 1.866 178.678 176.870 -0.096 0.000 1.205 322 L CA -0.663 54.115 54.840 -0.103 0.000 0.817 322 L CB 0.285 42.306 42.059 -0.064 0.000 1.162 322 L HN 0.575 nan 8.230 nan 0.000 0.486 323 L N -0.252 120.948 121.223 -0.038 0.000 2.042 323 L HA -0.105 4.105 4.340 -0.218 0.000 0.210 323 L C 1.085 177.933 176.870 -0.037 0.000 1.076 323 L CA 1.479 56.291 54.840 -0.046 0.000 0.749 323 L CB -0.628 41.438 42.059 0.011 0.000 0.893 323 L HN 0.853 nan 8.230 nan 0.000 0.432 324 T N -6.519 108.041 114.554 0.011 0.000 2.865 324 T HA 0.375 4.594 4.350 -0.218 0.000 0.294 324 T C -2.367 172.355 174.700 0.037 0.000 1.119 324 T CA -1.689 60.427 62.100 0.027 0.000 1.007 324 T CB 1.766 70.671 68.868 0.062 0.000 1.225 324 T HN -0.325 nan 8.240 nan 0.000 0.515 325 P HA 0.072 nan 4.420 nan 0.000 0.217 325 P C 1.775 179.113 177.300 0.062 0.000 1.150 325 P CA 1.283 64.411 63.100 0.046 0.000 0.832 325 P CB -0.340 31.387 31.700 0.046 0.000 0.787 326 G N -0.185 108.656 108.800 0.069 0.000 2.421 326 G HA2 -0.220 3.609 3.960 -0.218 0.000 0.216 326 G HA3 -0.220 3.609 3.960 -0.218 0.000 0.216 326 G C 1.537 176.498 174.900 0.101 0.000 1.171 326 G CA 0.468 45.614 45.100 0.077 0.000 0.775 326 G HN 0.226 nan 8.290 nan 0.000 0.543 327 I N 0.161 120.798 120.570 0.111 0.000 2.361 327 I HA -0.116 3.923 4.170 -0.218 0.000 0.251 327 I C 2.828 179.058 176.117 0.188 0.000 1.133 327 I CA 0.924 62.323 61.300 0.164 0.000 1.413 327 I CB -0.148 37.962 38.000 0.182 0.000 1.073 327 I HN 0.140 nan 8.210 nan 0.000 0.424 328 R N 1.073 121.652 120.500 0.131 0.000 2.066 328 R HA -0.241 3.968 4.340 -0.218 0.000 0.232 328 R C 2.000 178.401 176.300 0.169 0.000 1.131 328 R CA 2.373 58.552 56.100 0.132 0.000 0.955 328 R CB -0.361 29.982 30.300 0.071 0.000 0.851 328 R HN 0.298 nan 8.270 nan 0.000 0.432 329 D N -0.177 120.296 120.400 0.122 0.000 2.123 329 D HA -0.125 4.385 4.640 -0.218 0.000 0.196 329 D C 1.631 177.999 176.300 0.114 0.000 0.992 329 D CA 1.980 56.041 54.000 0.101 0.000 0.833 329 D CB 0.004 40.849 40.800 0.075 0.000 0.954 329 D HN 0.173 nan 8.370 nan 0.000 0.455 330 S N -1.263 114.520 115.700 0.138 0.000 2.368 330 S HA -0.139 4.200 4.470 -0.218 0.000 0.224 330 S C 1.641 176.336 174.600 0.159 0.000 1.029 330 S CA 0.870 59.152 58.200 0.137 0.000 0.988 330 S CB -0.628 62.663 63.200 0.152 0.000 0.838 330 S HN 0.456 nan 8.310 nan 0.000 0.462 331 Y N 2.385 122.750 120.300 0.109 0.000 2.114 331 Y HA -0.207 4.304 4.550 -0.065 0.000 0.284 331 Y C 2.439 178.397 175.900 0.097 0.000 1.143 331 Y CA 1.737 59.905 58.100 0.114 0.000 1.135 331 Y CB -0.575 37.946 38.460 0.102 0.000 0.980 331 Y HN 0.247 nan 8.280 nan 0.000 0.499 332 Q N -0.308 119.555 119.800 0.105 0.000 2.030 332 Q HA -0.209 4.000 4.340 -0.218 0.000 0.204 332 Q C 2.483 178.450 176.000 -0.055 0.000 0.986 332 Q CA 2.467 58.268 55.803 -0.003 0.000 0.843 332 Q CB -0.385 28.389 28.738 0.060 0.000 0.904 332 Q HN 0.629 nan 8.270 nan 0.000 0.420 333 S N 0.268 115.965 115.700 -0.004 0.000 2.402 333 S HA -0.173 4.166 4.470 -0.218 0.000 0.229 333 S C 1.839 176.438 174.600 -0.001 0.000 1.021 333 S CA 0.954 59.157 58.200 0.004 0.000 0.974 333 S CB -0.177 63.038 63.200 0.026 0.000 0.800 333 S HN 0.317 nan 8.310 nan 0.000 0.484 334 Q N 0.893 120.680 119.800 -0.022 0.000 2.083 334 Q HA -0.009 4.200 4.340 -0.218 0.000 0.198 334 Q C 2.586 178.564 176.000 -0.036 0.000 0.969 334 Q CA 1.555 57.346 55.803 -0.021 0.000 0.838 334 Q CB -0.517 28.218 28.738 -0.005 0.000 0.900 334 Q HN 0.704 nan 8.270 nan 0.000 0.436 335 V N -2.683 117.175 119.914 -0.094 0.000 2.427 335 V HA -0.131 3.858 4.120 -0.218 0.000 0.248 335 V C 2.089 178.359 176.094 0.293 0.000 1.051 335 V CA 1.199 63.574 62.300 0.125 0.000 1.048 335 V CB -0.806 31.023 31.823 0.011 0.000 0.666 335 V HN 0.087 nan 8.190 nan 0.000 0.456 336 V N 0.661 120.657 119.914 0.137 0.000 2.427 336 V HA -0.196 3.794 4.120 -0.218 0.000 0.248 336 V C 2.918 179.097 176.094 0.141 0.000 1.051 336 V CA 2.368 64.761 62.300 0.154 0.000 1.048 336 V CB -0.420 31.417 31.823 0.023 0.000 0.666 336 V HN 0.691 nan 8.190 nan 0.000 0.456 337 S N -0.396 115.356 115.700 0.087 0.000 2.383 337 S HA -0.203 4.136 4.470 -0.218 0.000 0.227 337 S C 2.210 176.856 174.600 0.077 0.000 1.026 337 S CA 1.662 59.906 58.200 0.074 0.000 0.981 337 S CB -0.229 63.002 63.200 0.052 0.000 0.818 337 S HN 0.563 nan 8.310 nan 0.000 0.472 338 R N -0.007 120.510 120.500 0.028 0.000 2.090 338 R HA 0.035 4.244 4.340 -0.218 0.000 0.228 338 R C 2.306 178.584 176.300 -0.037 0.000 1.110 338 R CA 1.256 57.297 56.100 -0.098 0.000 0.973 338 R CB -0.833 29.180 30.300 -0.477 0.000 0.869 338 R HN 0.470 nan 8.270 nan 0.000 0.440 339 G N -0.331 108.594 108.800 0.207 0.000 2.559 339 G HA2 -0.231 3.599 3.960 -0.218 0.000 0.216 339 G HA3 -0.231 3.599 3.960 -0.218 0.000 0.216 339 G C 1.359 176.352 174.900 0.156 0.000 1.126 339 G CA 0.782 46.055 45.100 0.289 0.000 0.778 339 G HN 0.507 nan 8.290 nan 0.000 0.543 340 S N 0.227 116.010 115.700 0.138 0.000 2.406 340 S HA 0.009 4.348 4.470 -0.218 0.000 0.224 340 S C 0.748 175.420 174.600 0.119 0.000 1.030 340 S CA 0.062 58.333 58.200 0.117 0.000 0.958 340 S CB -0.025 63.238 63.200 0.105 0.000 0.811 340 S HN 0.225 nan 8.310 nan 0.000 0.489 341 D N 2.919 123.405 120.400 0.143 0.000 2.370 341 D HA 0.142 4.651 4.640 -0.218 0.000 0.235 341 D C -0.238 176.169 176.300 0.180 0.000 1.228 341 D CA 0.522 54.639 54.000 0.195 0.000 0.884 341 D CB 0.182 41.164 40.800 0.304 0.000 1.201 341 D HN 0.363 nan 8.370 nan 0.000 0.456 342 D N -0.860 119.668 120.400 0.213 0.000 2.312 342 D HA 0.358 4.867 4.640 -0.218 0.000 0.248 342 D C 1.323 177.755 176.300 0.221 0.000 1.086 342 D CA -0.035 54.076 54.000 0.186 0.000 0.948 342 D CB 1.363 42.267 40.800 0.173 0.000 1.162 342 D HN 0.553 nan 8.370 nan 0.000 0.446 343 G N 0.640 109.552 108.800 0.186 0.000 2.162 343 G HA2 -0.260 3.570 3.960 -0.218 0.000 0.260 343 G HA3 -0.260 3.570 3.960 -0.218 0.000 0.260 343 G C 0.193 175.215 174.900 0.203 0.000 0.976 343 G CA 0.167 45.399 45.100 0.220 0.000 0.655 343 G HN 0.511 nan 8.290 nan 0.000 0.533 344 I N 0.318 120.946 120.570 0.097 0.000 2.619 344 I HA 0.569 4.609 4.170 -0.218 0.000 0.292 344 I C -1.370 174.735 176.117 -0.020 0.000 1.100 344 I CA -1.078 60.188 61.300 -0.057 0.000 1.043 344 I CB 1.951 39.718 38.000 -0.388 0.000 1.239 344 I HN 0.066 nan 8.210 nan 0.000 0.420 345 D N 5.462 125.841 120.400 -0.036 0.000 2.185 345 D HA 0.571 5.081 4.640 -0.218 0.000 0.247 345 D C -1.569 174.652 176.300 -0.133 0.000 1.027 345 D CA -0.239 53.725 54.000 -0.060 0.000 0.861 345 D CB 2.198 42.964 40.800 -0.058 0.000 1.202 345 D HN 0.269 nan 8.370 nan 0.000 0.453 346 V N 2.726 122.487 119.914 -0.255 0.000 2.709 346 V HA 0.616 4.606 4.120 -0.218 0.000 0.308 346 V C -1.112 174.595 176.094 -0.644 0.000 1.062 346 V CA -0.281 61.647 62.300 -0.620 0.000 0.901 346 V CB 2.168 33.469 31.823 -0.870 0.000 1.003 346 V HN 0.715 nan 8.190 nan 0.000 0.425 347 T N 7.560 121.690 114.554 -0.708 0.000 2.786 347 T HA 0.657 4.877 4.350 -0.218 0.000 0.283 347 T C -0.976 173.404 174.700 -0.534 0.000 0.992 347 T CA 0.037 61.855 62.100 -0.470 0.000 0.954 347 T CB 0.731 69.431 68.868 -0.279 0.000 0.934 347 T HN 0.422 nan 8.240 nan 0.000 0.440 348 F N 1.764 121.614 119.950 -0.167 0.000 2.523 348 F HA 0.633 5.015 4.527 -0.241 0.000 0.329 348 F C 1.132 176.875 175.800 -0.095 0.000 1.061 348 F CA -0.986 56.933 58.000 -0.135 0.000 0.967 348 F CB 1.540 40.479 39.000 -0.102 0.000 1.218 348 F HN 0.557 nan 8.300 nan 0.000 0.480 349 S N 0.647 116.441 115.700 0.156 0.000 2.738 349 S HA 0.470 4.809 4.470 -0.218 0.000 0.284 349 S C -0.671 173.956 174.600 0.045 0.000 1.146 349 S CA -0.977 57.255 58.200 0.053 0.000 0.997 349 S CB 1.036 64.244 63.200 0.014 0.000 1.081 349 S HN 0.484 nan 8.310 nan 0.000 0.553 350 Q N 0.620 120.426 119.800 0.010 0.000 2.279 350 Q HA 0.689 4.899 4.340 -0.218 0.000 0.256 350 Q C -0.573 175.419 176.000 -0.013 0.000 0.937 350 Q CA -0.104 55.696 55.803 -0.004 0.000 0.933 350 Q CB 1.133 29.866 28.738 -0.008 0.000 1.189 350 Q HN 0.899 nan 8.270 nan 0.000 0.417 351 A N 2.847 125.653 122.820 -0.024 0.000 2.577 351 A HA 0.543 4.732 4.320 -0.218 0.000 0.297 351 A C -1.124 176.443 177.584 -0.029 0.000 1.060 351 A CA -0.772 51.252 52.037 -0.022 0.000 0.697 351 A CB 1.396 20.387 19.000 -0.015 0.000 1.281 351 A HN 0.479 nan 8.150 nan 0.000 0.402 352 E N 0.973 121.162 120.200 -0.018 0.000 2.183 352 E HA 0.442 4.661 4.350 -0.218 0.000 0.271 352 E C -0.073 176.523 176.600 -0.007 0.000 0.919 352 E CA -0.417 55.974 56.400 -0.016 0.000 0.781 352 E CB 2.003 31.697 29.700 -0.011 0.000 1.140 352 E HN 0.579 nan 8.360 nan 0.000 0.402 353 S N 2.981 118.677 115.700 -0.007 0.000 2.563 353 S HA 0.038 4.378 4.470 -0.218 0.000 0.284 353 S C -0.995 173.612 174.600 0.010 0.000 1.331 353 S CA -0.878 57.325 58.200 0.005 0.000 1.047 353 S CB 0.354 63.556 63.200 0.004 0.000 0.859 353 S HN 0.356 nan 8.310 nan 0.000 0.514 354 P HA 0.069 nan 4.420 nan 0.000 0.230 354 P C 0.204 177.514 177.300 0.016 0.000 1.158 354 P CA 0.147 63.259 63.100 0.020 0.000 0.769 354 P CB -0.386 31.328 31.700 0.023 0.000 0.807 355 C N 1.159 120.467 119.300 0.013 0.000 2.727 355 C HA 0.292 4.621 4.460 -0.218 0.000 0.401 355 C C 1.138 176.131 174.990 0.005 0.000 1.294 355 C CA -0.605 58.416 59.018 0.004 0.000 2.134 355 C CB 0.410 28.153 27.740 0.005 0.000 2.724 355 C HN 0.228 nan 8.230 nan 0.000 0.677 356 V N -0.020 119.890 119.914 -0.007 0.000 2.960 356 V HA 0.933 4.923 4.120 -0.218 0.000 0.315 356 V C -0.041 176.072 176.094 0.031 0.000 1.087 356 V CA -0.692 61.630 62.300 0.037 0.000 0.982 356 V CB 1.441 33.294 31.823 0.050 0.000 1.039 356 V HN 1.166 nan 8.190 nan 0.000 0.437 357 A N 2.301 125.182 122.820 0.102 0.000 2.304 357 A HA 0.774 4.963 4.320 -0.218 0.000 0.301 357 A C 0.445 178.152 177.584 0.205 0.000 1.132 357 A CA -0.371 51.725 52.037 0.099 0.000 0.819 357 A CB 0.623 19.647 19.000 0.041 0.000 1.094 357 A HN 1.079 nan 8.150 nan 0.000 0.492 358 S N -0.136 115.630 115.700 0.110 0.000 2.603 358 S HA 0.620 4.959 4.470 -0.218 0.000 0.268 358 S C 0.233 174.917 174.600 0.139 0.000 1.317 358 S CA 0.253 58.505 58.200 0.088 0.000 1.012 358 S CB 1.150 64.328 63.200 -0.036 0.000 0.926 358 S HN 1.436 nan 8.310 nan 0.000 0.539 359 A N 1.301 124.156 122.820 0.058 0.000 2.515 359 A HA 0.758 4.947 4.320 -0.218 0.000 0.298 359 A C -1.730 175.657 177.584 -0.328 0.000 1.059 359 A CA -0.597 51.316 52.037 -0.207 0.000 0.698 359 A CB 1.229 20.057 19.000 -0.287 0.000 1.289 359 A HN 0.621 nan 8.150 nan 0.000 0.404 360 L N 1.768 122.680 121.223 -0.518 0.000 2.406 360 L HA 0.774 4.983 4.340 -0.218 0.000 0.270 360 L C -1.764 174.814 176.870 -0.487 0.000 0.982 360 L CA -0.356 54.285 54.840 -0.333 0.000 0.843 360 L CB 0.560 42.509 42.059 -0.183 0.000 1.225 360 L HN 0.555 nan 8.230 nan 0.000 0.412 361 F N 4.137 123.975 119.950 -0.187 0.000 2.379 361 F HA 0.721 5.116 4.527 -0.221 0.000 0.332 361 F C 0.201 175.878 175.800 -0.205 0.000 1.096 361 F CA -0.491 57.358 58.000 -0.252 0.000 1.105 361 F CB 1.764 40.572 39.000 -0.321 0.000 1.189 361 F HN 0.125 nan 8.300 nan 0.000 0.515 362 V N 1.418 121.316 119.914 -0.026 0.000 2.686 362 V HA 0.672 4.661 4.120 -0.218 0.000 0.306 362 V C -0.352 175.709 176.094 -0.056 0.000 1.065 362 V CA -0.469 61.799 62.300 -0.053 0.000 0.894 362 V CB 2.027 33.821 31.823 -0.048 0.000 1.004 362 V HN 0.901 nan 8.190 nan 0.000 0.424 363 T N 2.081 116.614 114.554 -0.035 0.000 2.762 363 T HA 0.603 4.823 4.350 -0.218 0.000 0.301 363 T C -0.565 174.193 174.700 0.095 0.000 1.299 363 T CA 0.178 62.309 62.100 0.051 0.000 1.005 363 T CB 2.032 70.962 68.868 0.103 0.000 1.377 363 T HN 1.010 nan 8.240 nan 0.000 0.504 364 S N 0.490 116.293 115.700 0.172 0.000 2.687 364 S HA 0.441 4.781 4.470 -0.218 0.000 0.283 364 S C 1.616 176.362 174.600 0.244 0.000 1.170 364 S CA 0.179 58.473 58.200 0.157 0.000 1.008 364 S CB 1.253 64.537 63.200 0.139 0.000 1.026 364 S HN 1.037 nan 8.310 nan 0.000 0.541 365 S N -0.112 115.710 115.700 0.203 0.000 2.419 365 S HA -0.176 4.163 4.470 -0.218 0.000 0.233 365 S C 1.538 176.326 174.600 0.313 0.000 1.016 365 S CA 1.099 59.467 58.200 0.280 0.000 0.974 365 S CB -0.759 62.556 63.200 0.191 0.000 0.786 365 S HN 0.855 nan 8.310 nan 0.000 0.492 366 E N 1.979 122.311 120.200 0.220 0.000 2.031 366 E HA -0.191 4.029 4.350 -0.218 0.000 0.193 366 E C 1.865 178.581 176.600 0.194 0.000 0.994 366 E CA 1.405 57.909 56.400 0.173 0.000 0.800 366 E CB -0.363 29.412 29.700 0.125 0.000 0.752 366 E HN 0.755 nan 8.360 nan 0.000 0.447 367 N N 0.104 118.959 118.700 0.259 0.000 2.244 367 N HA -0.157 4.452 4.740 -0.218 0.000 0.183 367 N C 1.583 177.258 175.510 0.275 0.000 1.016 367 N CA 0.852 54.077 53.050 0.291 0.000 0.866 367 N CB -0.249 38.483 38.487 0.408 0.000 0.980 367 N HN 0.402 nan 8.380 nan 0.000 0.430 368 W N 2.611 124.066 121.300 0.258 0.000 2.358 368 W HA -0.114 4.413 4.660 -0.221 0.000 0.303 368 W C 1.443 178.018 176.519 0.093 0.000 1.208 368 W CA 1.153 58.665 57.345 0.278 0.000 1.274 368 W CB -0.141 29.516 29.460 0.328 0.000 1.138 368 W HN 0.051 nan 8.180 nan 0.000 0.515 369 R N 0.347 120.922 120.500 0.125 0.000 2.148 369 R HA -0.109 4.101 4.340 -0.218 0.000 0.227 369 R C 2.182 178.375 176.300 -0.177 0.000 1.103 369 R CA 1.310 57.383 56.100 -0.046 0.000 0.983 369 R CB -0.228 30.113 30.300 0.068 0.000 0.874 369 R HN 0.169 nan 8.270 nan 0.000 0.451 370 K N -0.556 119.737 120.400 -0.180 0.000 2.305 370 K HA -0.017 4.172 4.320 -0.218 0.000 0.199 370 K C -0.108 176.100 176.600 -0.654 0.000 1.047 370 K CA 0.677 56.762 56.287 -0.336 0.000 0.976 370 K CB 0.249 32.581 32.500 -0.280 0.000 0.765 370 K HN 0.222 nan 8.250 nan 0.000 0.474 371 H N 0.468 119.098 119.070 -0.734 0.000 2.539 371 H HA 0.110 4.537 4.556 -0.216 0.000 0.247 371 H C -1.903 172.936 175.328 -0.816 0.000 1.363 371 H CA -2.007 53.436 56.048 -1.007 0.000 1.371 371 H CB 0.880 29.307 29.762 -2.225 0.000 1.438 371 H HN 0.001 nan 8.280 nan 0.000 0.523 372 P HA -0.171 nan 4.420 nan 0.000 0.221 372 P C 1.195 178.333 177.300 -0.270 0.000 1.145 372 P CA 1.011 63.884 63.100 -0.378 0.000 0.795 372 P CB 0.407 31.952 31.700 -0.257 0.000 0.775 373 A N -1.272 121.421 122.820 -0.212 0.000 2.119 373 A HA -0.071 4.118 4.320 -0.218 0.000 0.217 373 A C 1.791 179.432 177.584 0.095 0.000 1.153 373 A CA 0.421 52.427 52.037 -0.052 0.000 0.692 373 A CB -1.450 17.542 19.000 -0.013 0.000 0.799 373 A HN 0.138 nan 8.150 nan 0.000 0.458 374 W N 0.344 121.550 121.300 -0.157 0.000 2.595 374 W HA 0.030 4.565 4.660 -0.208 0.000 0.257 374 W C 1.883 178.382 176.519 -0.034 0.000 1.267 374 W CA 0.646 57.924 57.345 -0.113 0.000 1.300 374 W CB -0.534 28.877 29.460 -0.082 0.000 1.120 374 W HN 0.648 nan 8.180 nan 0.000 0.618 375 E N 0.593 120.818 120.200 0.042 0.000 2.427 375 E HA -0.081 4.138 4.350 -0.218 0.000 0.196 375 E C 0.169 176.885 176.600 0.194 0.000 1.028 375 E CA 0.301 56.813 56.400 0.186 0.000 0.864 375 E CB 0.110 29.844 29.700 0.056 0.000 0.813 375 E HN 0.183 nan 8.360 nan 0.000 0.514 376 E N 1.730 122.012 120.200 0.136 0.000 2.373 376 E HA -0.014 4.206 4.350 -0.218 0.000 0.267 376 E C -0.261 176.423 176.600 0.141 0.000 1.032 376 E CA -0.096 56.376 56.400 0.120 0.000 0.889 376 E CB 0.871 30.625 29.700 0.091 0.000 0.984 376 E HN 0.216 nan 8.360 nan 0.000 0.425 377 E N 3.339 123.626 120.200 0.145 0.000 2.360 377 E HA 0.092 4.311 4.350 -0.218 0.000 0.269 377 E C -0.812 175.899 176.600 0.184 0.000 1.022 377 E CA -0.178 56.326 56.400 0.173 0.000 0.887 377 E CB 0.565 30.379 29.700 0.191 0.000 0.990 377 E HN 0.409 nan 8.360 nan 0.000 0.426 378 I N 5.710 126.401 120.570 0.202 0.000 2.405 378 I HA 0.143 4.182 4.170 -0.218 0.000 0.280 378 I C -0.551 175.769 176.117 0.337 0.000 1.027 378 I CA -0.867 60.572 61.300 0.232 0.000 1.161 378 I CB 0.652 38.743 38.000 0.152 0.000 1.300 378 I HN 0.577 nan 8.210 nan 0.000 0.463 379 F N 6.593 126.672 119.950 0.214 0.000 2.506 379 F HA 0.509 4.936 4.527 -0.166 0.000 0.369 379 F C 0.813 176.757 175.800 0.240 0.000 1.114 379 F CA 0.673 58.791 58.000 0.197 0.000 1.121 379 F CB -0.048 39.038 39.000 0.143 0.000 1.104 379 F HN 0.535 nan 8.300 nan 0.000 0.564 380 G N 5.831 114.491 108.800 -0.233 0.000 2.337 380 G HA2 0.127 3.957 3.960 -0.218 0.000 0.298 380 G HA3 0.127 3.957 3.960 -0.218 0.000 0.298 380 G C -3.173 171.579 174.900 -0.247 0.000 1.335 380 G CA -0.959 43.897 45.100 -0.408 0.000 0.875 380 G HN 0.237 nan 8.290 nan 0.000 0.579 381 P HA 0.141 nan 4.420 nan 0.000 0.231 381 P C -0.570 176.757 177.300 0.044 0.000 1.756 381 P CA 0.566 63.566 63.100 -0.167 0.000 0.990 381 P CB 0.542 32.110 31.700 -0.220 0.000 1.973 382 Q N 0.857 120.745 119.800 0.147 0.000 2.359 382 Q HA 0.593 4.803 4.340 -0.218 0.000 0.274 382 Q C -1.863 174.237 176.000 0.167 0.000 1.074 382 Q CA -0.653 55.289 55.803 0.232 0.000 0.810 382 Q CB 2.604 31.618 28.738 0.460 0.000 1.342 382 Q HN 0.119 nan 8.270 nan 0.000 0.427 383 S N 2.570 118.374 115.700 0.174 0.000 2.570 383 S HA 0.751 5.090 4.470 -0.218 0.000 0.270 383 S C -2.041 172.701 174.600 0.237 0.000 1.149 383 S CA -0.585 57.736 58.200 0.202 0.000 0.837 383 S CB 1.326 64.663 63.200 0.230 0.000 1.124 383 S HN 0.586 nan 8.310 nan 0.000 0.465 384 L N 3.253 124.563 121.223 0.146 0.000 2.365 384 L HA 0.757 4.967 4.340 -0.218 0.000 0.273 384 L C -1.590 175.207 176.870 -0.122 0.000 1.000 384 L CA -0.371 54.489 54.840 0.034 0.000 0.819 384 L CB 1.497 43.518 42.059 -0.064 0.000 1.284 384 L HN 0.725 nan 8.230 nan 0.000 0.418 385 I N 5.197 125.688 120.570 -0.133 0.000 2.378 385 I HA 0.435 4.474 4.170 -0.218 0.000 0.291 385 I C -0.886 175.073 176.117 -0.264 0.000 0.992 385 I CA -0.912 60.248 61.300 -0.235 0.000 1.154 385 I CB 1.935 39.863 38.000 -0.120 0.000 1.315 385 I HN 0.281 nan 8.210 nan 0.000 0.448 386 V N 7.347 127.012 119.914 -0.417 0.000 2.334 386 V HA 0.242 4.232 4.120 -0.218 0.000 0.281 386 V C 0.098 176.093 176.094 -0.165 0.000 1.016 386 V CA -0.701 61.416 62.300 -0.305 0.000 0.832 386 V CB 1.616 33.099 31.823 -0.567 0.000 0.999 386 V HN 0.385 nan 8.190 nan 0.000 0.439 387 V N 4.697 124.570 119.914 -0.068 0.000 2.427 387 V HA 0.204 4.193 4.120 -0.218 0.000 0.268 387 V C 0.366 176.465 176.094 0.008 0.000 1.046 387 V CA -0.210 62.067 62.300 -0.040 0.000 0.970 387 V CB 0.747 32.558 31.823 -0.020 0.000 1.001 387 V HN 0.963 nan 8.190 nan 0.000 0.476 388 C N 3.670 122.970 119.300 0.000 0.000 2.364 388 C HA 0.271 4.601 4.460 -0.218 0.000 0.356 388 C C 1.981 176.979 174.990 0.013 0.000 1.201 388 C CA -0.487 58.546 59.018 0.024 0.000 2.227 388 C CB 1.125 28.876 27.740 0.018 0.000 2.387 388 C HN 1.037 nan 8.230 nan 0.000 0.546 389 E N 1.624 121.841 120.200 0.028 0.000 2.077 389 E HA -0.171 4.048 4.350 -0.218 0.000 0.193 389 E C 0.444 177.053 176.600 0.014 0.000 0.989 389 E CA 1.730 58.144 56.400 0.024 0.000 0.800 389 E CB 0.177 29.897 29.700 0.033 0.000 0.746 389 E HN 0.911 nan 8.360 nan 0.000 0.452 390 N N -3.465 115.240 118.700 0.009 0.000 3.339 390 N HA 0.001 4.611 4.740 -0.218 0.000 0.275 390 N C 0.172 175.680 175.510 -0.003 0.000 1.514 390 N CA -0.128 52.926 53.050 0.007 0.000 0.879 390 N CB 0.886 39.384 38.487 0.020 0.000 1.557 390 N HN -0.189 nan 8.380 nan 0.000 0.524 391 V N -0.186 119.736 119.914 0.012 0.000 2.407 391 V HA -0.166 3.824 4.120 -0.218 0.000 0.248 391 V C 2.415 178.519 176.094 0.017 0.000 1.055 391 V CA 2.602 64.912 62.300 0.018 0.000 1.049 391 V CB -1.426 30.464 31.823 0.112 0.000 0.662 391 V HN 0.847 nan 8.190 nan 0.000 0.455 392 A N 0.064 122.898 122.820 0.023 0.000 1.933 392 A HA -0.296 3.893 4.320 -0.218 0.000 0.218 392 A C 2.080 179.670 177.584 0.009 0.000 1.175 392 A CA 2.112 54.160 52.037 0.017 0.000 0.628 392 A CB -0.645 18.366 19.000 0.020 0.000 0.814 392 A HN 0.586 nan 8.150 nan 0.000 0.444 393 D N -0.752 119.655 120.400 0.012 0.000 2.117 393 D HA -0.183 4.327 4.640 -0.218 0.000 0.197 393 D C 1.913 178.213 176.300 -0.000 0.000 0.987 393 D CA 1.676 55.687 54.000 0.018 0.000 0.829 393 D CB -0.287 40.530 40.800 0.029 0.000 0.961 393 D HN 0.441 nan 8.370 nan 0.000 0.460 394 M N -0.449 119.140 119.600 -0.018 0.000 2.086 394 M HA -0.122 4.227 4.480 -0.218 0.000 0.261 394 M C 2.028 178.295 176.300 -0.054 0.000 1.067 394 M CA 1.259 56.538 55.300 -0.036 0.000 1.116 394 M CB -0.033 32.542 32.600 -0.041 0.000 1.348 394 M HN 0.075 nan 8.290 nan 0.000 0.407 395 L N -0.990 120.199 121.223 -0.056 0.000 2.083 395 L HA -0.189 4.020 4.340 -0.218 0.000 0.209 395 L C 2.690 179.526 176.870 -0.057 0.000 1.083 395 L CA 1.392 56.184 54.840 -0.080 0.000 0.752 395 L CB -0.865 41.167 42.059 -0.045 0.000 0.899 395 L HN 0.420 nan 8.230 nan 0.000 0.433 396 S N 0.282 115.967 115.700 -0.025 0.000 2.370 396 S HA -0.155 4.184 4.470 -0.218 0.000 0.226 396 S C 2.008 176.613 174.600 0.008 0.000 1.033 396 S CA 1.171 59.371 58.200 -0.001 0.000 1.011 396 S CB -0.184 63.026 63.200 0.018 0.000 0.852 396 S HN 0.324 nan 8.310 nan 0.000 0.457 397 L N 1.665 122.878 121.223 -0.016 0.000 2.093 397 L HA -0.068 4.141 4.340 -0.218 0.000 0.208 397 L C 2.867 179.720 176.870 -0.029 0.000 1.085 397 L CA 1.459 56.288 54.840 -0.018 0.000 0.755 397 L CB -0.789 41.135 42.059 -0.226 0.000 0.904 397 L HN 0.518 nan 8.230 nan 0.000 0.435 398 S N -0.988 114.676 115.700 -0.060 0.000 2.419 398 S HA -0.145 4.195 4.470 -0.218 0.000 0.233 398 S C 1.670 176.281 174.600 0.018 0.000 1.016 398 S CA 0.725 58.922 58.200 -0.005 0.000 0.974 398 S CB -0.272 62.822 63.200 -0.177 0.000 0.786 398 S HN 0.395 nan 8.310 nan 0.000 0.492 399 E N 1.038 121.242 120.200 0.007 0.000 2.338 399 E HA 0.076 4.296 4.350 -0.218 0.000 0.197 399 E C 1.433 178.061 176.600 0.047 0.000 1.007 399 E CA 0.809 57.220 56.400 0.018 0.000 0.849 399 E CB -0.237 29.468 29.700 0.009 0.000 0.774 399 E HN 0.684 nan 8.360 nan 0.000 0.506 400 M N 0.224 119.871 119.600 0.079 0.000 2.333 400 M HA 0.169 4.519 4.480 -0.218 0.000 0.257 400 M C 0.291 176.676 176.300 0.142 0.000 1.078 400 M CA -0.142 55.217 55.300 0.098 0.000 1.005 400 M CB 0.614 33.276 32.600 0.103 0.000 1.444 400 M HN -0.124 nan 8.290 nan 0.000 0.496 401 L N 0.902 122.227 121.223 0.169 0.000 2.461 401 L HA 0.281 4.490 4.340 -0.218 0.000 0.272 401 L C 0.780 177.748 176.870 0.165 0.000 1.197 401 L CA -0.649 54.323 54.840 0.220 0.000 0.836 401 L CB 0.392 42.597 42.059 0.244 0.000 1.105 401 L HN 0.148 nan 8.230 nan 0.000 0.477 402 A N 1.980 124.905 122.820 0.174 0.000 2.246 402 A HA 0.592 4.782 4.320 -0.218 0.000 0.291 402 A C 0.523 178.183 177.584 0.128 0.000 1.103 402 A CA 0.010 52.128 52.037 0.136 0.000 0.844 402 A CB 0.243 19.320 19.000 0.128 0.000 1.136 402 A HN 0.779 nan 8.150 nan 0.000 0.500 403 G N -0.446 108.417 108.800 0.106 0.000 2.484 403 G HA2 0.433 4.263 3.960 -0.218 0.000 0.235 403 G HA3 0.433 4.263 3.960 -0.218 0.000 0.235 403 G C 0.094 175.041 174.900 0.078 0.000 1.282 403 G CA 0.848 46.000 45.100 0.086 0.000 0.857 403 G HN 1.135 nan 8.290 nan 0.000 0.571 404 S N 0.698 116.446 115.700 0.080 0.000 2.579 404 S HA 0.373 4.712 4.470 -0.218 0.000 0.272 404 S C 1.157 175.792 174.600 0.059 0.000 1.141 404 S CA -0.839 57.411 58.200 0.084 0.000 0.843 404 S CB 1.304 64.582 63.200 0.130 0.000 1.122 404 S HN 0.418 nan 8.310 nan 0.000 0.468 405 L N 1.748 122.997 121.223 0.042 0.000 2.056 405 L HA 0.105 4.314 4.340 -0.218 0.000 0.207 405 L C 1.371 178.275 176.870 0.056 0.000 1.078 405 L CA 1.407 56.244 54.840 -0.005 0.000 0.749 405 L CB -0.408 41.616 42.059 -0.060 0.000 0.901 405 L HN 0.872 nan 8.230 nan 0.000 0.433 406 T N -3.324 111.292 114.554 0.103 0.000 2.864 406 T HA 0.793 5.012 4.350 -0.218 0.000 0.289 406 T C -0.894 173.895 174.700 0.149 0.000 1.082 406 T CA -0.431 61.745 62.100 0.127 0.000 1.009 406 T CB 2.575 71.534 68.868 0.151 0.000 1.234 406 T HN 0.056 nan 8.240 nan 0.000 0.526 407 A N 0.982 123.892 122.820 0.151 0.000 2.465 407 A HA 0.693 4.883 4.320 -0.218 0.000 0.292 407 A C -0.387 177.294 177.584 0.162 0.000 1.041 407 A CA -0.771 51.384 52.037 0.196 0.000 0.718 407 A CB 1.398 20.513 19.000 0.191 0.000 1.266 407 A HN 0.909 nan 8.150 nan 0.000 0.403 408 T N 2.318 116.976 114.554 0.174 0.000 2.885 408 T HA 0.732 4.951 4.350 -0.218 0.000 0.285 408 T C -0.410 174.332 174.700 0.070 0.000 1.019 408 T CA -0.226 61.898 62.100 0.040 0.000 1.010 408 T CB 1.049 69.880 68.868 -0.062 0.000 1.022 408 T HN 0.485 nan 8.240 nan 0.000 0.466 409 I N 2.235 122.731 120.570 -0.123 0.000 2.533 409 I HA 0.324 4.364 4.170 -0.218 0.000 0.290 409 I C -0.700 175.100 176.117 -0.529 0.000 1.056 409 I CA -0.857 60.394 61.300 -0.081 0.000 1.057 409 I CB 1.843 39.905 38.000 0.104 0.000 1.240 409 I HN 0.514 nan 8.210 nan 0.000 0.423 410 H N 5.223 124.186 119.070 -0.178 0.000 2.638 410 H HA 0.786 5.211 4.556 -0.218 0.000 0.317 410 H C -0.731 174.543 175.328 -0.089 0.000 1.006 410 H CA -0.344 55.530 56.048 -0.290 0.000 1.222 410 H CB 1.886 31.503 29.762 -0.242 0.000 1.419 410 H HN 0.786 nan 8.280 nan 0.000 0.489 411 A N 2.459 125.181 122.820 -0.165 0.000 2.581 411 A HA 0.646 4.835 4.320 -0.218 0.000 0.290 411 A C -0.253 177.367 177.584 0.059 0.000 1.119 411 A CA -0.489 51.542 52.037 -0.010 0.000 0.670 411 A CB 1.517 20.450 19.000 -0.111 0.000 1.280 411 A HN 0.571 nan 8.150 nan 0.000 0.425 412 T N -2.651 111.944 114.554 0.068 0.000 2.883 412 T HA 0.564 4.783 4.350 -0.218 0.000 0.284 412 T C 0.716 175.296 174.700 -0.200 0.000 1.041 412 T CA 0.165 62.284 62.100 0.033 0.000 1.007 412 T CB 1.219 70.071 68.868 -0.025 0.000 1.220 412 T HN 0.588 nan 8.240 nan 0.000 0.552 413 E N 0.511 120.401 120.200 -0.517 0.000 2.169 413 E HA -0.264 3.955 4.350 -0.218 0.000 0.202 413 E C 1.912 178.106 176.600 -0.676 0.000 1.016 413 E CA 1.984 57.739 56.400 -1.077 0.000 0.817 413 E CB -0.085 29.270 29.700 -0.574 0.000 0.736 413 E HN 0.876 nan 8.360 nan 0.000 0.462 414 E N 0.288 120.297 120.200 -0.319 0.000 2.418 414 E HA -0.169 4.051 4.350 -0.218 0.000 0.197 414 E C 0.860 177.381 176.600 -0.131 0.000 1.026 414 E CA 1.003 57.298 56.400 -0.176 0.000 0.862 414 E CB 0.167 29.808 29.700 -0.099 0.000 0.799 414 E HN 0.198 nan 8.360 nan 0.000 0.518 415 D N -0.191 120.115 120.400 -0.157 0.000 2.367 415 D HA -0.043 4.466 4.640 -0.218 0.000 0.207 415 D C 1.000 177.242 176.300 -0.097 0.000 1.034 415 D CA 0.057 53.910 54.000 -0.244 0.000 0.861 415 D CB -0.078 40.326 40.800 -0.660 0.000 0.943 415 D HN 0.191 nan 8.370 nan 0.000 0.515 416 Y N 1.087 121.275 120.300 -0.186 0.000 2.173 416 Y HA -0.167 4.252 4.550 -0.218 0.000 0.282 416 Y C -0.418 175.407 175.900 -0.124 0.000 1.192 416 Y CA 0.717 58.731 58.100 -0.142 0.000 1.176 416 Y CB -2.013 36.387 38.460 -0.101 0.000 0.969 416 Y HN 0.180 nan 8.280 nan 0.000 0.519 417 P HA -0.136 nan 4.420 nan 0.000 0.216 417 P C 1.398 178.697 177.300 -0.001 0.000 1.153 417 P CA 1.834 64.945 63.100 0.018 0.000 0.848 417 P CB 0.051 31.760 31.700 0.014 0.000 0.787 418 Q N -1.129 118.666 119.800 -0.010 0.000 2.137 418 Q HA -0.035 4.174 4.340 -0.218 0.000 0.198 418 Q C 2.102 178.111 176.000 0.014 0.000 0.960 418 Q CA 0.889 56.714 55.803 0.037 0.000 0.847 418 Q CB -1.349 27.486 28.738 0.162 0.000 0.915 418 Q HN 0.046 nan 8.270 nan 0.000 0.448 419 V N 0.188 120.050 119.914 -0.087 0.000 2.392 419 V HA -0.271 3.718 4.120 -0.218 0.000 0.249 419 V C 1.994 178.036 176.094 -0.087 0.000 1.059 419 V CA 1.959 64.212 62.300 -0.080 0.000 1.051 419 V CB -0.659 31.089 31.823 -0.125 0.000 0.658 419 V HN 0.316 nan 8.190 nan 0.000 0.455 420 S N -0.799 114.844 115.700 -0.095 0.000 2.419 420 S HA -0.211 4.128 4.470 -0.218 0.000 0.235 420 S C 1.996 176.553 174.600 -0.071 0.000 1.019 420 S CA 1.144 59.286 58.200 -0.097 0.000 0.982 420 S CB -0.229 62.926 63.200 -0.075 0.000 0.789 420 S HN 0.584 nan 8.310 nan 0.000 0.490 421 Q N 0.117 119.887 119.800 -0.049 0.000 2.212 421 Q HA 0.171 4.381 4.340 -0.218 0.000 0.199 421 Q C 2.160 178.119 176.000 -0.067 0.000 0.950 421 Q CA 0.518 56.294 55.803 -0.044 0.000 0.863 421 Q CB -0.582 28.143 28.738 -0.021 0.000 0.944 421 Q HN 0.428 nan 8.270 nan 0.000 0.465 422 L N 0.632 121.807 121.223 -0.081 0.000 2.109 422 L HA -0.020 4.190 4.340 -0.218 0.000 0.207 422 L C 2.036 178.817 176.870 -0.149 0.000 1.086 422 L CA 1.153 55.901 54.840 -0.154 0.000 0.760 422 L CB -0.492 41.458 42.059 -0.181 0.000 0.910 422 L HN 0.077 nan 8.230 nan 0.000 0.437 423 I N 0.203 120.708 120.570 -0.108 0.000 2.118 423 I HA -0.267 3.772 4.170 -0.218 0.000 0.241 423 I C -0.320 175.753 176.117 -0.074 0.000 1.070 423 I CA 1.562 62.807 61.300 -0.091 0.000 1.327 423 I CB -1.595 36.344 38.000 -0.102 0.000 1.034 423 I HN 0.248 nan 8.210 nan 0.000 0.405 424 P HA -0.132 nan 4.420 nan 0.000 0.219 424 P C 1.375 178.648 177.300 -0.045 0.000 1.146 424 P CA 1.442 64.512 63.100 -0.051 0.000 0.808 424 P CB -0.045 31.626 31.700 -0.047 0.000 0.779 425 R N -0.876 119.587 120.500 -0.062 0.000 2.075 425 R HA 0.064 4.274 4.340 -0.218 0.000 0.226 425 R C 2.252 178.529 176.300 -0.040 0.000 1.114 425 R CA 0.971 57.038 56.100 -0.055 0.000 0.972 425 R CB -0.887 29.360 30.300 -0.088 0.000 0.869 425 R HN 0.222 nan 8.270 nan 0.000 0.437 426 L N 0.763 121.950 121.223 -0.060 0.000 2.201 426 L HA -0.104 4.105 4.340 -0.218 0.000 0.212 426 L C 1.981 178.858 176.870 0.012 0.000 1.105 426 L CA 1.178 56.009 54.840 -0.015 0.000 0.775 426 L CB -0.387 41.654 42.059 -0.029 0.000 0.913 426 L HN 0.235 nan 8.230 nan 0.000 0.440 427 E N 0.451 120.648 120.200 -0.006 0.000 2.153 427 E HA -0.229 3.991 4.350 -0.218 0.000 0.194 427 E C 1.877 178.485 176.600 0.012 0.000 0.988 427 E CA 1.133 57.535 56.400 0.002 0.000 0.811 427 E CB -0.021 29.672 29.700 -0.012 0.000 0.746 427 E HN 0.556 nan 8.360 nan 0.000 0.466 428 E N 0.158 120.364 120.200 0.009 0.000 2.274 428 E HA -0.121 4.099 4.350 -0.218 0.000 0.194 428 E C 1.641 178.261 176.600 0.033 0.000 0.996 428 E CA 0.757 57.167 56.400 0.016 0.000 0.840 428 E CB 0.098 29.803 29.700 0.009 0.000 0.772 428 E HN 0.366 nan 8.360 nan 0.000 0.491 429 I N -3.967 116.631 120.570 0.047 0.000 4.154 429 I HA 0.360 4.400 4.170 -0.218 0.000 0.334 429 I C 0.335 176.498 176.117 0.077 0.000 1.371 429 I CA -0.543 60.798 61.300 0.069 0.000 1.110 429 I CB 1.028 39.083 38.000 0.092 0.000 1.085 429 I HN -0.183 nan 8.210 nan 0.000 0.398 430 A N 0.523 123.384 122.820 0.068 0.000 2.454 430 A HA 0.789 4.978 4.320 -0.218 0.000 0.302 430 A C 0.915 178.533 177.584 0.055 0.000 1.079 430 A CA -0.159 51.921 52.037 0.072 0.000 0.731 430 A CB 1.097 20.153 19.000 0.093 0.000 1.299 430 A HN 0.175 nan 8.150 nan 0.000 0.413 431 G N -0.303 108.528 108.800 0.052 0.000 2.494 431 G HA2 0.270 4.100 3.960 -0.218 0.000 0.216 431 G HA3 0.270 4.100 3.960 -0.218 0.000 0.216 431 G C 0.688 175.625 174.900 0.063 0.000 1.140 431 G CA 0.577 45.706 45.100 0.049 0.000 0.801 431 G HN 0.781 nan 8.290 nan 0.000 0.536 432 R N -0.302 120.243 120.500 0.074 0.000 2.533 432 R HA 0.511 4.721 4.340 -0.218 0.000 0.288 432 R C -1.440 174.910 176.300 0.084 0.000 1.039 432 R CA -0.642 55.508 56.100 0.084 0.000 0.909 432 R CB 1.072 31.439 30.300 0.112 0.000 1.195 432 R HN 0.001 nan 8.270 nan 0.000 0.438 433 L N 4.736 126.001 121.223 0.069 0.000 2.282 433 L HA 0.549 4.758 4.340 -0.218 0.000 0.288 433 L C -0.563 176.349 176.870 0.070 0.000 1.033 433 L CA -1.168 53.713 54.840 0.068 0.000 0.807 433 L CB 1.823 43.909 42.059 0.046 0.000 1.209 433 L HN 0.329 nan 8.230 nan 0.000 0.423 434 V N 3.570 123.521 119.914 0.062 0.000 2.417 434 V HA 0.367 4.357 4.120 -0.218 0.000 0.291 434 V C -0.650 175.439 176.094 -0.009 0.000 1.024 434 V CA -0.472 61.846 62.300 0.030 0.000 0.861 434 V CB 1.925 33.749 31.823 0.002 0.000 0.985 434 V HN 0.408 nan 8.190 nan 0.000 0.436 435 F N 4.836 124.693 119.950 -0.155 0.000 2.427 435 F HA 0.516 4.913 4.527 -0.216 0.000 0.346 435 F C 0.942 176.591 175.800 -0.253 0.000 1.120 435 F CA -0.594 57.283 58.000 -0.204 0.000 1.033 435 F CB 1.052 39.969 39.000 -0.139 0.000 1.126 435 F HN 0.644 nan 8.300 nan 0.000 0.462 436 N N 3.155 121.266 118.700 -0.983 0.000 2.714 436 N HA -0.198 4.412 4.740 -0.218 0.000 0.252 436 N C -0.277 175.012 175.510 -0.367 0.000 1.014 436 N CA 1.180 53.811 53.050 -0.698 0.000 0.735 436 N CB -0.977 37.281 38.487 -0.382 0.000 0.924 436 N HN 0.980 nan 8.380 nan 0.000 0.540 437 G N -1.950 106.503 108.800 -0.579 0.000 2.619 437 G HA2 0.617 4.446 3.960 -0.218 0.000 0.305 437 G HA3 0.617 4.446 3.960 -0.218 0.000 0.305 437 G C -1.743 172.788 174.900 -0.614 0.000 1.330 437 G CA -0.914 44.001 45.100 -0.308 0.000 0.789 437 G HN 0.120 nan 8.290 nan 0.000 0.487 438 W N 0.273 121.660 121.300 0.144 0.000 2.666 438 W HA 0.516 5.054 4.660 -0.203 0.000 0.334 438 W C -1.249 175.341 176.519 0.119 0.000 1.051 438 W CA -1.839 55.600 57.345 0.158 0.000 1.224 438 W CB 2.127 31.677 29.460 0.150 0.000 1.405 438 W HN 0.402 nan 8.180 nan 0.000 0.513 439 P HA -0.157 nan 4.420 nan 0.000 0.226 439 P C 1.258 178.712 177.300 0.256 0.000 1.153 439 P CA 1.750 64.997 63.100 0.245 0.000 0.777 439 P CB -0.068 31.776 31.700 0.238 0.000 0.794 440 T N -1.485 113.218 114.554 0.248 0.000 2.635 440 T HA -0.095 4.125 4.350 -0.218 0.000 0.267 440 T C 1.497 176.373 174.700 0.293 0.000 1.040 440 T CA 1.095 63.322 62.100 0.212 0.000 1.156 440 T CB -1.666 67.159 68.868 -0.071 0.000 0.863 440 T HN 0.199 nan 8.240 nan 0.000 0.430 441 G N 1.083 110.020 108.800 0.228 0.000 2.398 441 G HA2 0.443 4.272 3.960 -0.218 0.000 0.246 441 G HA3 0.443 4.272 3.960 -0.218 0.000 0.246 441 G C -0.807 174.212 174.900 0.198 0.000 1.289 441 G CA -0.536 44.700 45.100 0.227 0.000 0.869 441 G HN 0.434 nan 8.290 nan 0.000 0.543 442 V N 3.059 123.074 119.914 0.169 0.000 2.340 442 V HA 0.158 4.147 4.120 -0.218 0.000 0.277 442 V C 0.017 176.153 176.094 0.069 0.000 1.017 442 V CA -0.826 61.540 62.300 0.110 0.000 0.820 442 V CB 1.079 32.922 31.823 0.034 0.000 1.028 442 V HN 0.860 nan 8.190 nan 0.000 0.436 443 E N 3.528 123.771 120.200 0.071 0.000 2.415 443 E HA 0.130 4.349 4.350 -0.218 0.000 0.260 443 E C -0.256 176.344 176.600 0.001 0.000 1.016 443 E CA 0.131 56.557 56.400 0.043 0.000 0.924 443 E CB 1.119 30.851 29.700 0.053 0.000 0.961 443 E HN 0.440 nan 8.360 nan 0.000 0.459 444 V N 6.045 125.939 119.914 -0.035 0.000 2.222 444 V HA 0.446 4.435 4.120 -0.218 0.000 0.253 444 V C 0.815 176.818 176.094 -0.152 0.000 1.210 444 V CA 0.469 62.708 62.300 -0.102 0.000 1.079 444 V CB 0.001 31.750 31.823 -0.122 0.000 1.265 444 V HN 0.731 nan 8.190 nan 0.000 0.494 445 G N 1.196 109.913 108.800 -0.139 0.000 3.302 445 G HA2 0.370 4.199 3.960 -0.218 0.000 0.170 445 G HA3 0.370 4.199 3.960 -0.218 0.000 0.170 445 G C -0.096 174.619 174.900 -0.308 0.000 1.119 445 G CA -0.108 44.890 45.100 -0.169 0.000 0.826 445 G HN 0.319 nan 8.290 nan 0.000 0.646 446 Y N -0.095 120.183 120.300 -0.036 0.000 2.524 446 Y HA 0.376 4.796 4.550 -0.217 0.000 0.270 446 Y C 2.706 178.614 175.900 0.013 0.000 1.094 446 Y CA 0.735 58.823 58.100 -0.021 0.000 1.276 446 Y CB 0.510 38.960 38.460 -0.017 0.000 1.130 446 Y HN 0.375 nan 8.280 nan 0.000 0.536 447 A N -0.321 122.593 122.820 0.157 0.000 2.218 447 A HA 0.131 4.321 4.320 -0.218 0.000 0.209 447 A C 1.019 178.655 177.584 0.087 0.000 1.168 447 A CA -0.129 51.975 52.037 0.111 0.000 0.804 447 A CB -0.617 18.438 19.000 0.093 0.000 0.834 447 A HN 0.241 nan 8.150 nan 0.000 0.482 448 M N 0.788 120.432 119.600 0.073 0.000 2.250 448 M HA 0.247 4.596 4.480 -0.218 0.000 0.337 448 M C -0.843 175.520 176.300 0.104 0.000 1.161 448 M CA 0.519 55.869 55.300 0.083 0.000 1.088 448 M CB 0.417 33.055 32.600 0.062 0.000 1.639 448 M HN -0.046 nan 8.290 nan 0.000 0.447 449 V N 5.984 125.974 119.914 0.126 0.000 2.398 449 V HA 0.232 4.221 4.120 -0.218 0.000 0.282 449 V C -1.389 174.814 176.094 0.182 0.000 1.014 449 V CA -0.595 61.784 62.300 0.132 0.000 0.838 449 V CB 0.764 32.644 31.823 0.095 0.000 1.018 449 V HN 0.859 nan 8.190 nan 0.000 0.432 450 H N 3.348 122.478 119.070 0.101 0.000 2.673 450 H HA 0.771 5.195 4.556 -0.220 0.000 0.293 450 H C 0.306 175.713 175.328 0.131 0.000 1.065 450 H CA 0.898 57.020 56.048 0.124 0.000 1.236 450 H CB 1.019 30.872 29.762 0.152 0.000 1.389 450 H HN 0.883 nan 8.280 nan 0.000 0.481 451 G N 2.140 110.870 108.800 -0.115 0.000 2.439 451 G HA2 0.459 4.288 3.960 -0.218 0.000 0.186 451 G HA3 0.459 4.288 3.960 -0.218 0.000 0.186 451 G C -0.182 174.711 174.900 -0.012 0.000 1.260 451 G CA -0.165 44.905 45.100 -0.051 0.000 1.020 451 G HN 1.292 nan 8.290 nan 0.000 0.470 452 G N -1.162 107.655 108.800 0.029 0.000 2.334 452 G HA2 0.501 4.331 3.960 -0.218 0.000 0.315 452 G HA3 0.501 4.331 3.960 -0.218 0.000 0.315 452 G C -3.394 171.532 174.900 0.044 0.000 1.284 452 G CA 0.148 45.268 45.100 0.033 0.000 0.985 452 G HN 0.850 nan 8.290 nan 0.000 0.504 453 P HA 0.268 nan 4.420 nan 0.000 0.269 453 P C -0.348 177.010 177.300 0.096 0.000 1.217 453 P CA -0.048 63.095 63.100 0.072 0.000 0.783 453 P CB 0.195 31.936 31.700 0.068 0.000 0.898 454 Y N 4.856 125.145 120.300 -0.017 0.000 2.702 454 Y HA 0.026 4.447 4.550 -0.214 0.000 0.336 454 Y C -1.050 174.847 175.900 -0.005 0.000 1.235 454 Y CA -0.780 57.299 58.100 -0.035 0.000 1.492 454 Y CB 0.245 38.653 38.460 -0.088 0.000 1.308 454 Y HN 0.399 nan 8.280 nan 0.000 0.589 455 P HA 0.022 nan 4.420 nan 0.000 0.249 455 P C 0.764 177.861 177.300 -0.339 0.000 1.229 455 P CA 1.120 63.736 63.100 -0.807 0.000 0.788 455 P CB 0.081 31.380 31.700 -0.668 0.000 1.072 456 A N 0.103 122.847 122.820 -0.127 0.000 1.958 456 A HA -0.098 4.092 4.320 -0.218 0.000 0.221 456 A C 1.402 178.972 177.584 -0.024 0.000 1.178 456 A CA 1.813 53.821 52.037 -0.049 0.000 0.642 456 A CB -0.808 18.186 19.000 -0.010 0.000 0.816 456 A HN 0.420 nan 8.150 nan 0.000 0.453 457 S N -3.923 111.775 115.700 -0.003 0.000 2.570 457 S HA 0.413 4.753 4.470 -0.218 0.000 0.270 457 S C 0.422 175.098 174.600 0.128 0.000 1.149 457 S CA 0.297 58.553 58.200 0.094 0.000 0.837 457 S CB 1.258 64.540 63.200 0.136 0.000 1.124 457 S HN 0.664 nan 8.310 nan 0.000 0.465 458 T N 0.039 114.715 114.554 0.203 0.000 3.086 458 T HA 0.258 4.478 4.350 -0.218 0.000 0.250 458 T C 0.217 175.070 174.700 0.255 0.000 1.074 458 T CA 0.474 62.666 62.100 0.153 0.000 0.988 458 T CB -0.424 68.480 68.868 0.060 0.000 0.988 458 T HN 0.686 nan 8.240 nan 0.000 0.530 459 H N 0.879 120.058 119.070 0.182 0.000 2.661 459 H HA 0.438 4.863 4.556 -0.218 0.000 0.243 459 H C 1.156 176.592 175.328 0.180 0.000 1.410 459 H CA -0.279 55.882 56.048 0.189 0.000 1.509 459 H CB 0.690 30.602 29.762 0.251 0.000 1.761 459 H HN 0.123 nan 8.280 nan 0.000 0.576 460 S N 1.685 117.357 115.700 -0.046 0.000 2.440 460 S HA -0.120 4.219 4.470 -0.218 0.000 0.238 460 S C 1.589 176.117 174.600 -0.121 0.000 1.010 460 S CA 0.628 58.801 58.200 -0.045 0.000 0.972 460 S CB -0.020 63.172 63.200 -0.014 0.000 0.774 460 S HN 0.572 nan 8.310 nan 0.000 0.501 461 A N 1.534 124.146 122.820 -0.347 0.000 3.135 461 A HA 0.626 4.816 4.320 -0.218 0.000 0.253 461 A C 0.618 178.140 177.584 -0.103 0.000 1.638 461 A CA 0.015 51.907 52.037 -0.241 0.000 1.295 461 A CB -0.895 17.954 19.000 -0.252 0.000 1.106 461 A HN 0.904 nan 8.150 nan 0.000 0.648 462 S N -1.324 114.392 115.700 0.027 0.000 2.656 462 S HA 0.691 5.030 4.470 -0.218 0.000 0.265 462 S C -0.702 173.960 174.600 0.104 0.000 1.132 462 S CA -0.053 58.222 58.200 0.126 0.000 0.819 462 S CB 1.294 64.680 63.200 0.310 0.000 1.119 462 S HN 0.860 nan 8.310 nan 0.000 0.476 463 T N 0.122 114.723 114.554 0.078 0.000 2.933 463 T HA 0.629 4.849 4.350 -0.218 0.000 0.305 463 T C 0.579 175.336 174.700 0.094 0.000 1.092 463 T CA 0.133 62.301 62.100 0.114 0.000 1.008 463 T CB 1.565 70.507 68.868 0.123 0.000 1.102 463 T HN 1.445 nan 8.240 nan 0.000 0.469 464 S N 2.294 118.104 115.700 0.183 0.000 2.556 464 S HA 0.400 4.739 4.470 -0.218 0.000 0.216 464 S C 0.238 174.919 174.600 0.135 0.000 0.970 464 S CA -0.215 58.091 58.200 0.177 0.000 0.912 464 S CB 0.133 63.517 63.200 0.306 0.000 0.790 464 S HN 0.495 nan 8.310 nan 0.000 0.504 465 V N 0.811 120.812 119.914 0.145 0.000 2.841 465 V HA 0.807 4.796 4.120 -0.218 0.000 0.310 465 V C 0.339 176.475 176.094 0.071 0.000 1.090 465 V CA 0.162 62.494 62.300 0.053 0.000 0.930 465 V CB 1.022 32.814 31.823 -0.052 0.000 1.014 465 V HN 0.753 nan 8.190 nan 0.000 0.425 466 G N 2.637 111.443 108.800 0.010 0.000 2.619 466 G HA2 0.344 4.173 3.960 -0.218 0.000 0.686 466 G HA3 0.344 4.173 3.960 -0.218 0.000 0.686 466 G C 0.571 175.415 174.900 -0.093 0.000 1.256 466 G CA -0.176 44.873 45.100 -0.085 0.000 0.826 466 G HN 1.644 nan 8.290 nan 0.000 0.619 467 A N -0.291 122.356 122.820 -0.289 0.000 1.986 467 A HA -0.004 4.186 4.320 -0.218 0.000 0.220 467 A C 1.999 179.645 177.584 0.103 0.000 1.171 467 A CA 2.410 54.306 52.037 -0.234 0.000 0.640 467 A CB -0.322 18.486 19.000 -0.321 0.000 0.811 467 A HN 0.754 nan 8.150 nan 0.000 0.451 468 E N -0.149 120.131 120.200 0.132 0.000 2.478 468 E HA 0.009 4.228 4.350 -0.218 0.000 0.198 468 E C 2.025 178.708 176.600 0.138 0.000 1.046 468 E CA 0.782 57.311 56.400 0.215 0.000 0.870 468 E CB -0.486 29.352 29.700 0.230 0.000 0.818 468 E HN 0.632 nan 8.360 nan 0.000 0.527 469 A N 1.220 124.125 122.820 0.141 0.000 2.070 469 A HA -0.117 4.072 4.320 -0.218 0.000 0.220 469 A C 2.170 179.680 177.584 -0.123 0.000 1.159 469 A CA 0.606 52.661 52.037 0.031 0.000 0.656 469 A CB -0.573 18.516 19.000 0.148 0.000 0.800 469 A HN 0.302 nan 8.150 nan 0.000 0.453 470 I N -1.086 119.455 120.570 -0.049 0.000 2.454 470 I HA -0.228 3.812 4.170 -0.218 0.000 0.254 470 I C 1.995 177.964 176.117 -0.246 0.000 1.156 470 I CA 1.179 62.407 61.300 -0.121 0.000 1.433 470 I CB -0.211 37.765 38.000 -0.040 0.000 1.082 470 I HN 0.414 nan 8.210 nan 0.000 0.432 471 H N 0.967 119.991 119.070 -0.077 0.000 2.521 471 H HA -0.062 4.364 4.556 -0.218 0.000 0.286 471 H C 2.095 177.263 175.328 -0.266 0.000 1.034 471 H CA 0.843 56.828 56.048 -0.106 0.000 1.278 471 H CB -0.227 29.516 29.762 -0.032 0.000 1.386 471 H HN 0.427 nan 8.280 nan 0.000 0.567 472 R N -0.066 120.100 120.500 -0.556 0.000 2.193 472 R HA -0.141 4.069 4.340 -0.218 0.000 0.229 472 R C 0.919 176.726 176.300 -0.821 0.000 1.110 472 R CA 1.302 56.771 56.100 -1.053 0.000 0.988 472 R CB -0.112 28.845 30.300 -2.239 0.000 0.871 472 R HN 0.410 nan 8.270 nan 0.000 0.458 473 W N 0.504 121.757 121.300 -0.079 0.000 3.102 473 W HA 0.344 4.872 4.660 -0.219 0.000 0.401 473 W C -0.361 176.154 176.519 -0.007 0.000 1.070 473 W CA -0.666 56.669 57.345 -0.016 0.000 1.921 473 W CB 0.339 29.766 29.460 -0.054 0.000 1.118 473 W HN -0.156 nan 8.180 nan 0.000 0.647 474 L N 1.786 123.075 121.223 0.110 0.000 2.341 474 L HA 0.716 4.926 4.340 -0.218 0.000 0.267 474 L C 0.075 176.993 176.870 0.080 0.000 1.009 474 L CA -1.404 53.482 54.840 0.076 0.000 0.819 474 L CB 2.074 44.154 42.059 0.036 0.000 1.323 474 L HN -0.082 nan 8.230 nan 0.000 0.425 475 R N 1.026 121.566 120.500 0.067 0.000 2.725 475 R HA 0.680 4.889 4.340 -0.218 0.000 0.277 475 R C -3.065 173.269 176.300 0.057 0.000 0.987 475 R CA -1.844 54.294 56.100 0.064 0.000 0.901 475 R CB 1.956 32.292 30.300 0.060 0.000 1.207 475 R HN 0.202 nan 8.270 nan 0.000 0.463 476 P HA 0.246 nan 4.420 nan 0.000 0.284 476 P C -0.840 176.479 177.300 0.033 0.000 1.258 476 P CA -0.573 62.562 63.100 0.058 0.000 0.824 476 P CB 1.714 33.446 31.700 0.054 0.000 1.038 477 V N 1.396 121.335 119.914 0.041 0.000 2.686 477 V HA 0.608 4.597 4.120 -0.218 0.000 0.306 477 V C 0.066 176.097 176.094 -0.105 0.000 1.065 477 V CA -0.869 61.381 62.300 -0.083 0.000 0.894 477 V CB 1.770 33.506 31.823 -0.144 0.000 1.004 477 V HN 0.778 nan 8.190 nan 0.000 0.424 478 A N 3.931 126.631 122.820 -0.200 0.000 2.312 478 A HA 0.886 5.075 4.320 -0.218 0.000 0.326 478 A C -1.511 175.893 177.584 -0.300 0.000 1.172 478 A CA -0.339 51.642 52.037 -0.094 0.000 0.821 478 A CB 0.681 19.661 19.000 -0.034 0.000 1.166 478 A HN 0.734 nan 8.150 nan 0.000 0.493 479 Y N 0.453 120.761 120.300 0.014 0.000 2.331 479 Y HA 0.512 4.931 4.550 -0.218 0.000 0.334 479 Y C 0.241 176.147 175.900 0.009 0.000 0.960 479 Y CA -0.345 57.762 58.100 0.011 0.000 1.130 479 Y CB 1.875 40.341 38.460 0.010 0.000 1.164 479 Y HN 0.737 nan 8.280 nan 0.000 0.458 480 Q N 2.457 122.321 119.800 0.107 0.000 2.341 480 Q HA 0.581 4.791 4.340 -0.218 0.000 0.268 480 Q C 0.124 176.162 176.000 0.064 0.000 1.013 480 Q CA -0.114 55.731 55.803 0.071 0.000 0.798 480 Q CB 1.181 29.939 28.738 0.033 0.000 1.253 480 Q HN 0.968 nan 8.270 nan 0.000 0.457 481 A N 3.095 125.950 122.820 0.057 0.000 2.860 481 A HA -0.204 3.985 4.320 -0.218 0.000 0.267 481 A C -0.660 176.952 177.584 0.047 0.000 1.421 481 A CA 0.517 52.579 52.037 0.043 0.000 0.831 481 A CB -1.922 17.097 19.000 0.031 0.000 1.041 481 A HN 0.612 nan 8.150 nan 0.000 0.623 482 L N 1.137 122.399 121.223 0.066 0.000 2.417 482 L HA 0.476 4.686 4.340 -0.218 0.000 0.268 482 L C -1.045 175.845 176.870 0.033 0.000 1.158 482 L CA -1.089 53.788 54.840 0.061 0.000 0.819 482 L CB 0.205 42.322 42.059 0.097 0.000 1.112 482 L HN 0.339 nan 8.230 nan 0.000 0.458 483 P HA 0.104 nan 4.420 nan 0.000 0.277 483 P C 0.042 177.342 177.300 -0.000 0.000 1.240 483 P CA -0.454 62.652 63.100 0.011 0.000 0.798 483 P CB 0.895 32.602 31.700 0.012 0.000 0.979 484 E N 1.270 121.466 120.200 -0.007 0.000 2.108 484 E HA -0.203 4.017 4.350 -0.218 0.000 0.203 484 E C 1.823 178.410 176.600 -0.022 0.000 1.022 484 E CA 2.240 58.629 56.400 -0.018 0.000 0.823 484 E CB -0.859 28.831 29.700 -0.015 0.000 0.744 484 E HN 0.637 nan 8.360 nan 0.000 0.456 485 S N -0.095 115.598 115.700 -0.012 0.000 2.474 485 S HA -0.047 4.292 4.470 -0.218 0.000 0.235 485 S C 1.948 176.542 174.600 -0.010 0.000 0.997 485 S CA 0.624 58.818 58.200 -0.010 0.000 0.949 485 S CB -0.206 62.993 63.200 -0.003 0.000 0.766 485 S HN 0.205 nan 8.310 nan 0.000 0.517 486 L N -0.009 121.209 121.223 -0.008 0.000 2.590 486 L HA 0.434 4.643 4.340 -0.218 0.000 0.227 486 L C 0.475 177.331 176.870 -0.024 0.000 1.099 486 L CA -0.125 54.715 54.840 0.001 0.000 0.872 486 L CB -0.037 42.037 42.059 0.025 0.000 1.088 486 L HN 0.225 nan 8.230 nan 0.000 0.479 487 L N 1.887 123.072 121.223 -0.063 0.000 2.417 487 L HA 0.235 4.445 4.340 -0.218 0.000 0.268 487 L C -1.821 174.940 176.870 -0.180 0.000 1.158 487 L CA -1.721 53.022 54.840 -0.162 0.000 0.819 487 L CB 0.513 42.479 42.059 -0.155 0.000 1.112 487 L HN -0.171 nan 8.230 nan 0.000 0.458 488 P HA 0.019 nan 4.420 nan 0.000 0.271 488 P C -0.394 176.799 177.300 -0.179 0.000 1.218 488 P CA -0.358 62.620 63.100 -0.203 0.000 0.780 488 P CB 0.856 32.404 31.700 -0.252 0.000 0.901 489 D N 1.114 121.439 120.400 -0.125 0.000 2.149 489 D HA -0.178 4.331 4.640 -0.218 0.000 0.194 489 D C 1.971 178.182 176.300 -0.149 0.000 1.001 489 D CA 2.194 56.128 54.000 -0.110 0.000 0.849 489 D CB -0.672 40.084 40.800 -0.073 0.000 0.939 489 D HN 0.497 nan 8.370 nan 0.000 0.449 490 S N -0.126 115.432 115.700 -0.237 0.000 2.419 490 S HA -0.130 4.210 4.470 -0.218 0.000 0.235 490 S C 1.859 176.343 174.600 -0.194 0.000 1.019 490 S CA 0.745 58.762 58.200 -0.305 0.000 0.982 490 S CB -0.351 62.454 63.200 -0.658 0.000 0.789 490 S HN 0.320 nan 8.310 nan 0.000 0.490 491 L N -0.164 120.945 121.223 -0.191 0.000 2.766 491 L HA 0.346 4.555 4.340 -0.218 0.000 0.242 491 L C 0.505 177.307 176.870 -0.113 0.000 1.136 491 L CA -0.300 54.450 54.840 -0.149 0.000 0.933 491 L CB 0.054 41.985 42.059 -0.213 0.000 1.241 491 L HN 0.072 nan 8.230 nan 0.000 0.522 492 K N 0.540 120.878 120.400 -0.103 0.000 2.355 492 K HA 0.164 4.354 4.320 -0.218 0.000 0.270 492 K C 1.318 177.889 176.600 -0.048 0.000 1.003 492 K CA 0.271 56.516 56.287 -0.071 0.000 0.957 492 K CB 1.394 33.857 32.500 -0.062 0.000 0.939 492 K HN 0.047 nan 8.250 nan 0.000 0.482 493 A N 3.302 126.101 122.820 -0.034 0.000 1.917 493 A HA -0.247 3.942 4.320 -0.218 0.000 0.219 493 A C 1.721 179.293 177.584 -0.020 0.000 1.182 493 A CA 2.098 54.122 52.037 -0.022 0.000 0.633 493 A CB -0.580 18.411 19.000 -0.016 0.000 0.819 493 A HN 0.918 nan 8.150 nan 0.000 0.448 494 E N -0.930 119.257 120.200 -0.021 0.000 2.511 494 E HA -0.032 4.187 4.350 -0.218 0.000 0.196 494 E C 0.453 177.041 176.600 -0.019 0.000 1.066 494 E CA 0.280 56.670 56.400 -0.017 0.000 0.871 494 E CB -0.347 29.344 29.700 -0.015 0.000 0.863 494 E HN 0.405 nan 8.360 nan 0.000 0.520 495 N N 1.659 120.342 118.700 -0.027 0.000 2.667 495 N HA -0.133 4.477 4.740 -0.218 0.000 0.263 495 N C -1.561 173.933 175.510 -0.025 0.000 1.038 495 N CA 0.770 53.802 53.050 -0.029 0.000 0.749 495 N CB -0.309 38.166 38.487 -0.019 0.000 0.892 495 N HN 0.274 nan 8.380 nan 0.000 0.546 496 P HA -0.161 nan 4.420 nan 0.000 0.219 496 P C 1.449 178.738 177.300 -0.019 0.000 1.146 496 P CA 0.958 64.045 63.100 -0.022 0.000 0.808 496 P CB 0.161 31.846 31.700 -0.025 0.000 0.779 497 L N -0.843 120.366 121.223 -0.024 0.000 2.509 497 L HA 0.095 4.305 4.340 -0.218 0.000 0.222 497 L C 0.693 177.560 176.870 -0.004 0.000 1.123 497 L CA 0.308 55.140 54.840 -0.013 0.000 0.856 497 L CB -0.948 41.100 42.059 -0.018 0.000 0.985 497 L HN -0.035 nan 8.230 nan 0.000 0.456 498 E N 1.222 121.418 120.200 -0.008 0.000 2.389 498 E HA -0.228 3.991 4.350 -0.218 0.000 0.243 498 E C -0.042 176.562 176.600 0.006 0.000 1.154 498 E CA 0.349 56.748 56.400 -0.002 0.000 0.723 498 E CB -1.495 28.203 29.700 -0.003 0.000 1.261 498 E HN 0.631 nan 8.360 nan 0.000 0.390 499 I N -3.208 117.370 120.570 0.013 0.000 2.783 499 I HA 0.660 4.700 4.170 -0.218 0.000 0.312 499 I C 0.559 176.697 176.117 0.034 0.000 0.988 499 I CA -1.021 60.300 61.300 0.035 0.000 1.182 499 I CB 1.240 39.282 38.000 0.071 0.000 1.368 499 I HN -0.023 nan 8.210 nan 0.000 0.511 500 A N 4.367 127.215 122.820 0.046 0.000 2.450 500 A HA 0.540 4.730 4.320 -0.218 0.000 0.255 500 A C 0.008 177.623 177.584 0.053 0.000 1.096 500 A CA -0.311 51.751 52.037 0.041 0.000 0.778 500 A CB 0.088 19.113 19.000 0.042 0.000 1.031 500 A HN 0.833 nan 8.150 nan 0.000 0.494 501 R N 1.142 121.665 120.500 0.037 0.000 2.651 501 R HA 0.601 4.810 4.340 -0.218 0.000 0.278 501 R C -0.899 175.420 176.300 0.030 0.000 1.010 501 R CA -0.611 55.512 56.100 0.038 0.000 0.896 501 R CB 2.397 32.711 30.300 0.024 0.000 1.211 501 R HN 0.788 nan 8.270 nan 0.000 0.456 502 A N 2.453 125.294 122.820 0.034 0.000 2.260 502 A HA 0.528 4.718 4.320 -0.218 0.000 0.308 502 A C -0.294 177.304 177.584 0.023 0.000 1.254 502 A CA -0.537 51.517 52.037 0.027 0.000 0.874 502 A CB 0.841 19.859 19.000 0.029 0.000 1.153 502 A HN 0.373 nan 8.150 nan 0.000 0.527 503 V N 3.224 123.148 119.914 0.018 0.000 2.398 503 V HA 0.275 4.264 4.120 -0.218 0.000 0.286 503 V C -0.195 175.908 176.094 0.014 0.000 1.026 503 V CA -0.519 61.791 62.300 0.015 0.000 0.868 503 V CB 1.250 33.080 31.823 0.011 0.000 0.982 503 V HN 0.999 nan 8.190 nan 0.000 0.443 504 D N 4.419 124.828 120.400 0.015 0.000 2.706 504 D HA -0.228 4.281 4.640 -0.218 0.000 0.230 504 D C 1.334 177.641 176.300 0.012 0.000 1.184 504 D CA 1.502 55.510 54.000 0.013 0.000 0.628 504 D CB -0.905 39.901 40.800 0.011 0.000 1.019 504 D HN 1.389 nan 8.370 nan 0.000 0.415 505 G N -0.650 108.159 108.800 0.014 0.000 2.205 505 G HA2 -0.367 3.462 3.960 -0.218 0.000 0.261 505 G HA3 -0.367 3.462 3.960 -0.218 0.000 0.261 505 G C 0.388 175.294 174.900 0.010 0.000 0.980 505 G CA 0.661 45.768 45.100 0.012 0.000 0.632 505 G HN 0.491 nan 8.290 nan 0.000 0.533 506 K N 1.074 121.480 120.400 0.010 0.000 2.218 506 K HA 0.635 4.825 4.320 -0.218 0.000 0.276 506 K C 0.928 177.535 176.600 0.011 0.000 1.022 506 K CA -0.016 56.276 56.287 0.009 0.000 0.946 506 K CB 1.195 33.699 32.500 0.007 0.000 1.000 506 K HN 0.578 nan 8.250 nan 0.000 0.468 507 A N 2.126 124.951 122.820 0.009 0.000 2.561 507 A HA 0.242 4.432 4.320 -0.218 0.000 0.234 507 A C 0.493 178.085 177.584 0.013 0.000 1.055 507 A CA 0.227 52.270 52.037 0.010 0.000 0.756 507 A CB -0.028 18.976 19.000 0.006 0.000 0.986 507 A HN 0.842 nan 8.150 nan 0.000 0.505 508 A N 0.000 122.831 122.820 0.018 0.000 2.254 508 A HA 0.000 4.189 4.320 -0.218 0.000 0.244 508 A CA 0.000 52.051 52.037 0.023 0.000 0.836 508 A CB 0.000 19.021 19.000 0.036 0.000 0.831 508 A HN 0.000 nan 8.150 nan 0.000 0.486