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 1q2w_1_A DATA FIRST_RESID 3 DATA SEQUENCE FRKMAFPSGK VEGCMVQVTC GTTTLNGLWL DDTVYCPRHV ICXXXXMLNP DATA SEQUENCE NYEDLLIRKS NHSFLVQAGN VQLRVIGHSM QNCLLRLKVD TSNPKTPKYK DATA SEQUENCE FVRIQPGQTF SVLACYNGSP SGVYQCAMRP NHTIKGSFLN GSCGSVGFNI DATA SEQUENCE DYDCVSFCYM HHMELPTGVH AGTDLEGKFY GPFVDRQTAQ AAGTDTTITL DATA SEQUENCE NVLAWLYAAV INGDRWFLNR FTTTLNDFNL VAMKYNYEPL TQDHVDILGP DATA SEQUENCE LSAQTGIAVL DMCAALKELL QNGMNGRTIL GSTILEDEFT PFDVVRQCS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 F HA 0.000 nan 4.527 nan 0.000 0.279 3 F C 0.000 175.872 175.800 0.121 0.000 0.967 3 F CA 0.000 57.992 58.000 -0.013 0.000 1.383 3 F CB 0.000 38.908 39.000 -0.153 0.000 1.145 4 R N 3.381 123.823 120.500 -0.096 0.000 2.407 4 R HA 0.335 4.676 4.340 0.001 0.000 0.303 4 R C -0.245 176.108 176.300 0.090 0.000 0.981 4 R CA -0.943 55.172 56.100 0.026 0.000 0.905 4 R CB 1.936 32.215 30.300 -0.034 0.000 1.099 4 R HN 0.583 nan 8.270 nan 0.000 0.459 5 K N 3.951 124.437 120.400 0.144 0.000 2.166 5 K HA 0.106 4.427 4.320 0.001 0.000 0.273 5 K C -0.089 176.438 176.600 -0.122 0.000 1.095 5 K CA 0.326 56.576 56.287 -0.062 0.000 0.985 5 K CB 0.215 32.582 32.500 -0.222 0.000 1.172 5 K HN 0.352 nan 8.250 nan 0.000 0.401 6 M N 2.446 121.958 119.600 -0.147 0.000 2.233 6 M HA 0.271 4.751 4.480 0.001 0.000 0.355 6 M C 0.149 176.282 176.300 -0.278 0.000 1.191 6 M CA -0.499 54.689 55.300 -0.187 0.000 1.101 6 M CB 1.687 34.164 32.600 -0.206 0.000 1.592 6 M HN 0.453 nan 8.290 nan 0.000 0.461 7 A N 2.453 125.134 122.820 -0.231 0.000 2.264 7 A HA 0.748 5.069 4.320 0.001 0.000 0.304 7 A C -0.751 176.668 177.584 -0.275 0.000 1.100 7 A CA -0.549 51.326 52.037 -0.270 0.000 0.839 7 A CB 0.421 19.327 19.000 -0.157 0.000 1.121 7 A HN 0.657 nan 8.150 nan 0.000 0.496 8 F N 0.552 120.448 119.950 -0.090 0.000 2.459 8 F HA 0.357 4.885 4.527 0.001 0.000 0.346 8 F C -1.675 174.201 175.800 0.127 0.000 1.128 8 F CA -1.442 56.576 58.000 0.030 0.000 1.268 8 F CB 0.071 39.110 39.000 0.064 0.000 1.161 8 F HN 0.277 nan 8.300 nan 0.000 0.583 9 P HA 0.037 nan 4.420 nan 0.000 0.268 9 P C 0.125 177.595 177.300 0.284 0.000 1.204 9 P CA 0.114 63.353 63.100 0.230 0.000 0.768 9 P CB 0.592 32.392 31.700 0.167 0.000 0.842 10 S N 1.063 116.900 115.700 0.229 0.000 2.575 10 S HA 0.052 4.522 4.470 0.001 0.000 0.215 10 S C 2.015 176.639 174.600 0.039 0.000 0.966 10 S CA 0.395 58.717 58.200 0.204 0.000 0.911 10 S CB -0.813 62.521 63.200 0.223 0.000 0.780 10 S HN 0.491 nan 8.310 nan 0.000 0.514 11 G N 2.624 111.452 108.800 0.045 0.000 2.440 11 G HA2 -0.209 3.752 3.960 0.001 0.000 0.218 11 G HA3 -0.209 3.752 3.960 0.001 0.000 0.218 11 G C 1.472 176.357 174.900 -0.025 0.000 1.154 11 G CA 0.769 45.879 45.100 0.016 0.000 0.767 11 G HN 0.564 nan 8.290 nan 0.000 0.552 12 K N -0.219 120.149 120.400 -0.054 0.000 2.152 12 K HA -0.014 4.307 4.320 0.001 0.000 0.206 12 K C 2.457 178.987 176.600 -0.117 0.000 1.048 12 K CA 1.022 57.258 56.287 -0.085 0.000 0.933 12 K CB -0.081 32.358 32.500 -0.101 0.000 0.721 12 K HN 0.284 nan 8.250 nan 0.000 0.447 13 V N 1.123 120.910 119.914 -0.211 0.000 2.535 13 V HA -0.127 3.994 4.120 0.001 0.000 0.246 13 V C 1.750 177.806 176.094 -0.063 0.000 1.045 13 V CA 1.313 63.499 62.300 -0.188 0.000 1.058 13 V CB -0.284 31.215 31.823 -0.540 0.000 0.689 13 V HN 0.268 nan 8.190 nan 0.000 0.461 14 E N 1.114 121.290 120.200 -0.039 0.000 2.097 14 E HA -0.190 4.161 4.350 0.001 0.000 0.196 14 E C 2.163 178.780 176.600 0.028 0.000 1.000 14 E CA 1.397 57.806 56.400 0.016 0.000 0.804 14 E CB -0.431 29.288 29.700 0.032 0.000 0.740 14 E HN 0.625 nan 8.360 nan 0.000 0.454 15 G N -0.323 108.481 108.800 0.006 0.000 2.776 15 G HA2 -0.147 3.814 3.960 0.001 0.000 0.209 15 G HA3 -0.147 3.814 3.960 0.001 0.000 0.209 15 G C 1.039 175.938 174.900 -0.003 0.000 1.145 15 G CA 0.290 45.393 45.100 0.005 0.000 0.791 15 G HN 0.278 nan 8.290 nan 0.000 0.530 16 C N 0.048 119.357 119.300 0.015 0.000 3.183 16 C HA 0.451 4.911 4.460 0.001 0.000 0.285 16 C C 0.519 175.582 174.990 0.122 0.000 1.313 16 C CA -0.795 58.242 59.018 0.032 0.000 1.711 16 C CB -0.615 27.102 27.740 -0.038 0.000 2.135 16 C HN 0.241 nan 8.230 nan 0.000 0.651 17 M N 2.218 121.882 119.600 0.107 0.000 2.216 17 M HA 0.527 5.008 4.480 0.001 0.000 0.356 17 M C -0.050 176.321 176.300 0.119 0.000 1.205 17 M CA 0.039 55.392 55.300 0.087 0.000 1.122 17 M CB 0.806 33.445 32.600 0.065 0.000 1.571 17 M HN 0.227 nan 8.290 nan 0.000 0.464 18 V N 0.792 120.749 119.914 0.072 0.000 3.182 18 V HA 0.693 4.813 4.120 0.001 0.000 0.308 18 V C -1.154 174.932 176.094 -0.013 0.000 1.240 18 V CA -1.023 61.289 62.300 0.021 0.000 1.063 18 V CB 2.095 33.887 31.823 -0.052 0.000 1.076 18 V HN 0.854 nan 8.190 nan 0.000 0.446 19 Q N 0.315 120.093 119.800 -0.036 0.000 2.342 19 Q HA 0.799 5.140 4.340 0.001 0.000 0.267 19 Q C -2.004 173.968 176.000 -0.047 0.000 1.038 19 Q CA -0.694 55.093 55.803 -0.026 0.000 0.832 19 Q CB 2.373 31.108 28.738 -0.006 0.000 1.323 19 Q HN 0.797 nan 8.270 nan 0.000 0.448 20 V N 2.744 122.637 119.914 -0.035 0.000 2.577 20 V HA 0.495 4.616 4.120 0.001 0.000 0.303 20 V C -0.802 175.299 176.094 0.013 0.000 1.042 20 V CA -0.533 61.754 62.300 -0.022 0.000 0.872 20 V CB 2.158 33.953 31.823 -0.047 0.000 0.998 20 V HN 0.895 nan 8.190 nan 0.000 0.423 21 T N 3.091 117.666 114.554 0.035 0.000 2.861 21 T HA 0.521 4.872 4.350 0.001 0.000 0.287 21 T C -1.008 173.710 174.700 0.030 0.000 1.003 21 T CA -0.433 61.683 62.100 0.028 0.000 0.977 21 T CB 1.544 70.418 68.868 0.009 0.000 0.996 21 T HN 0.773 nan 8.240 nan 0.000 0.448 22 C N 3.211 122.508 119.300 -0.006 0.000 2.620 22 C HA 0.730 5.191 4.460 0.001 0.000 0.356 22 C C 1.102 176.043 174.990 -0.081 0.000 1.082 22 C CA 0.914 59.869 59.018 -0.106 0.000 1.293 22 C CB -0.694 26.970 27.740 -0.127 0.000 1.836 22 C HN 1.338 nan 8.230 nan 0.000 0.453 23 G N 5.155 113.896 108.800 -0.097 0.000 2.536 23 G HA2 -0.270 3.691 3.960 0.001 0.000 0.280 23 G HA3 -0.270 3.691 3.960 0.001 0.000 0.280 23 G C 0.835 175.717 174.900 -0.030 0.000 1.152 23 G CA 1.082 46.145 45.100 -0.062 0.000 0.970 23 G HN 1.831 nan 8.290 nan 0.000 0.549 24 T N -2.138 112.407 114.554 -0.015 0.000 3.122 24 T HA 0.490 4.840 4.350 0.001 0.000 0.250 24 T C 0.761 175.470 174.700 0.015 0.000 1.067 24 T CA 1.342 63.443 62.100 0.000 0.000 0.966 24 T CB 0.283 69.152 68.868 0.002 0.000 1.002 24 T HN 0.709 nan 8.240 nan 0.000 0.542 25 T N 2.981 117.545 114.554 0.017 0.000 2.744 25 T HA 0.516 4.867 4.350 0.001 0.000 0.291 25 T C -0.487 174.234 174.700 0.036 0.000 0.957 25 T CA -0.208 61.916 62.100 0.039 0.000 1.002 25 T CB 1.253 70.155 68.868 0.057 0.000 0.919 25 T HN 0.249 nan 8.240 nan 0.000 0.468 26 T N 4.902 119.482 114.554 0.042 0.000 2.863 26 T HA 0.774 5.125 4.350 0.001 0.000 0.285 26 T C -0.825 173.896 174.700 0.035 0.000 1.009 26 T CA -0.703 61.417 62.100 0.034 0.000 0.989 26 T CB 1.112 70.001 68.868 0.035 0.000 1.004 26 T HN 0.482 nan 8.240 nan 0.000 0.455 27 L N 0.157 121.384 121.223 0.006 0.000 2.816 27 L HA 0.679 5.019 4.340 0.001 0.000 0.262 27 L C -0.904 175.944 176.870 -0.037 0.000 1.106 27 L CA -1.227 53.604 54.840 -0.014 0.000 0.973 27 L CB 0.493 42.520 42.059 -0.053 0.000 1.570 27 L HN 0.323 nan 8.230 nan 0.000 0.379 28 N N -0.380 118.284 118.700 -0.059 0.000 2.493 28 N HA 0.713 5.453 4.740 0.001 0.000 0.275 28 N C -0.480 174.979 175.510 -0.085 0.000 1.186 28 N CA 0.175 53.192 53.050 -0.055 0.000 0.978 28 N CB 1.740 40.201 38.487 -0.044 0.000 1.184 28 N HN 0.981 nan 8.380 nan 0.000 0.487 29 G N -0.282 108.481 108.800 -0.062 0.000 2.642 29 G HA2 0.539 4.500 3.960 0.001 0.000 0.293 29 G HA3 0.539 4.500 3.960 0.001 0.000 0.293 29 G C -1.647 173.236 174.900 -0.029 0.000 1.341 29 G CA -0.429 44.630 45.100 -0.069 0.000 0.916 29 G HN 0.374 nan 8.290 nan 0.000 0.474 30 L N 0.578 121.789 121.223 -0.020 0.000 2.305 30 L HA 0.733 5.073 4.340 0.001 0.000 0.284 30 L C -1.418 175.529 176.870 0.128 0.000 1.013 30 L CA -0.935 53.889 54.840 -0.027 0.000 0.819 30 L CB 1.330 43.245 42.059 -0.240 0.000 1.227 30 L HN 0.575 nan 8.230 nan 0.000 0.417 31 W N 7.979 129.227 121.300 -0.087 0.000 2.278 31 W HA 0.613 5.273 4.660 0.001 0.000 0.317 31 W C -1.932 174.543 176.519 -0.074 0.000 1.030 31 W CA -1.333 55.975 57.345 -0.061 0.000 1.334 31 W CB 0.637 30.064 29.460 -0.055 0.000 1.215 31 W HN 0.358 nan 8.180 nan 0.000 0.405 32 L N 8.155 129.406 121.223 0.047 0.000 2.356 32 L HA 0.323 4.663 4.340 0.001 0.000 0.277 32 L C 0.486 177.316 176.870 -0.066 0.000 0.996 32 L CA -0.808 53.935 54.840 -0.163 0.000 0.822 32 L CB 1.739 43.608 42.059 -0.317 0.000 1.256 32 L HN 0.432 nan 8.230 nan 0.000 0.413 33 D N 1.835 122.142 120.400 -0.155 0.000 3.927 33 D HA -0.287 4.354 4.640 0.001 0.000 0.142 33 D C 0.414 176.724 176.300 0.016 0.000 0.830 33 D CA 2.077 56.044 54.000 -0.056 0.000 1.091 33 D CB -0.374 40.461 40.800 0.060 0.000 0.495 33 D HN 0.944 nan 8.370 nan 0.000 0.489 34 D N 0.546 121.013 120.400 0.111 0.000 2.501 34 D HA 0.179 4.820 4.640 0.001 0.000 0.226 34 D C -0.402 175.986 176.300 0.145 0.000 1.198 34 D CA 0.052 54.162 54.000 0.183 0.000 0.830 34 D CB 0.051 40.915 40.800 0.106 0.000 1.014 34 D HN 0.201 nan 8.370 nan 0.000 0.496 35 T N -0.418 114.221 114.554 0.143 0.000 2.876 35 T HA 0.526 4.877 4.350 0.001 0.000 0.289 35 T C -0.512 174.179 174.700 -0.015 0.000 1.014 35 T CA -0.652 61.423 62.100 -0.042 0.000 0.986 35 T CB 2.587 71.336 68.868 -0.198 0.000 1.021 35 T HN -0.134 nan 8.240 nan 0.000 0.458 36 V N 3.028 122.825 119.914 -0.194 0.000 2.448 36 V HA 0.441 4.562 4.120 0.001 0.000 0.295 36 V C -1.276 174.613 176.094 -0.341 0.000 1.025 36 V CA -0.918 61.290 62.300 -0.154 0.000 0.859 36 V CB 0.877 32.601 31.823 -0.165 0.000 0.988 36 V HN 0.824 nan 8.190 nan 0.000 0.431 37 Y N 3.815 124.043 120.300 -0.120 0.000 2.330 37 Y HA 0.667 5.218 4.550 0.001 0.000 0.336 37 Y C 0.499 176.273 175.900 -0.210 0.000 1.036 37 Y CA -0.511 57.486 58.100 -0.171 0.000 1.125 37 Y CB 1.684 40.020 38.460 -0.207 0.000 1.194 37 Y HN 0.872 nan 8.280 nan 0.000 0.469 38 C N 1.921 121.158 119.300 -0.106 0.000 3.288 38 C HA 0.686 5.147 4.460 0.001 0.000 0.318 38 C C -3.049 171.777 174.990 -0.273 0.000 1.356 38 C CA -2.900 56.000 59.018 -0.196 0.000 1.359 38 C CB 1.768 29.394 27.740 -0.191 0.000 1.688 38 C HN 0.512 nan 8.230 nan 0.000 0.467 39 P HA 0.187 nan 4.420 nan 0.000 0.266 39 P C 0.786 177.853 177.300 -0.388 0.000 1.195 39 P CA 0.147 62.889 63.100 -0.596 0.000 0.768 39 P CB 0.460 31.489 31.700 -1.118 0.000 0.838 40 R N 4.422 124.776 120.500 -0.242 0.000 2.148 40 R HA -0.157 4.183 4.340 0.001 0.000 0.227 40 R C 1.711 178.006 176.300 -0.010 0.000 1.103 40 R CA 1.309 57.315 56.100 -0.156 0.000 0.983 40 R CB -1.049 29.103 30.300 -0.247 0.000 0.874 40 R HN 0.623 nan 8.270 nan 0.000 0.451 41 H N 0.295 119.387 119.070 0.037 0.000 2.568 41 H HA -0.018 4.539 4.556 0.002 0.000 0.281 41 H C 1.621 177.028 175.328 0.132 0.000 1.028 41 H CA 0.847 57.021 56.048 0.209 0.000 1.199 41 H CB -0.095 29.790 29.762 0.204 0.000 1.352 41 H HN 0.165 nan 8.280 nan 0.000 0.605 42 V N 2.495 122.392 119.914 -0.028 0.000 2.720 42 V HA -0.205 3.916 4.120 0.001 0.000 0.256 42 V C 2.399 178.563 176.094 0.117 0.000 1.082 42 V CA 1.593 63.914 62.300 0.035 0.000 1.101 42 V CB -0.653 31.161 31.823 -0.014 0.000 0.693 42 V HN 0.672 nan 8.190 nan 0.000 0.479 43 I N -2.703 117.969 120.570 0.171 0.000 3.578 43 I HA 0.121 4.292 4.170 0.001 0.000 0.295 43 I C 1.069 177.238 176.117 0.087 0.000 1.280 43 I CA -0.122 61.251 61.300 0.121 0.000 1.347 43 I CB -0.725 37.376 38.000 0.167 0.000 1.051 43 I HN 0.191 nan 8.210 nan 0.000 0.460 50 L N -0.533 120.673 121.223 -0.029 0.000 2.313 50 L HA 0.416 4.757 4.340 0.001 0.000 0.214 50 L C 0.948 177.802 176.870 -0.027 0.000 1.119 50 L CA 2.399 57.226 54.840 -0.022 0.000 0.809 50 L CB -1.436 40.612 42.059 -0.019 0.000 0.933 50 L HN 0.678 nan 8.230 nan 0.000 0.449 51 N N -0.117 118.557 118.700 -0.044 0.000 2.672 51 N HA 0.315 5.056 4.740 0.001 0.000 0.295 51 N C -2.902 172.550 175.510 -0.097 0.000 1.924 51 N CA -0.902 52.117 53.050 -0.053 0.000 0.851 51 N CB 1.153 39.615 38.487 -0.040 0.000 1.281 51 N HN 0.459 nan 8.380 nan 0.000 0.494 52 P HA 0.085 nan 4.420 nan 0.000 0.276 52 P C -1.068 176.045 177.300 -0.313 0.000 1.230 52 P CA -0.089 62.810 63.100 -0.334 0.000 0.776 52 P CB 0.848 32.175 31.700 -0.621 0.000 0.888 53 N N 2.700 121.241 118.700 -0.265 0.000 2.558 53 N HA 0.086 4.827 4.740 0.001 0.000 0.242 53 N C 0.502 175.922 175.510 -0.150 0.000 0.979 53 N CA -0.389 52.576 53.050 -0.142 0.000 0.931 53 N CB 0.325 38.778 38.487 -0.056 0.000 1.122 53 N HN 0.255 nan 8.380 nan 0.000 0.508 54 Y N 1.786 122.107 120.300 0.035 0.000 2.224 54 Y HA -0.092 4.458 4.550 0.001 0.000 0.289 54 Y C 2.146 178.072 175.900 0.043 0.000 1.146 54 Y CA 1.141 59.268 58.100 0.046 0.000 1.182 54 Y CB 0.331 38.825 38.460 0.058 0.000 0.983 54 Y HN 0.564 nan 8.280 nan 0.000 0.524 55 E N -0.073 120.232 120.200 0.174 0.000 2.077 55 E HA -0.254 4.097 4.350 0.001 0.000 0.193 55 E C 1.492 178.136 176.600 0.074 0.000 0.989 55 E CA 1.552 58.020 56.400 0.114 0.000 0.800 55 E CB -0.167 29.584 29.700 0.084 0.000 0.746 55 E HN 0.468 nan 8.360 nan 0.000 0.452 56 D N 0.017 120.441 120.400 0.040 0.000 2.178 56 D HA -0.083 4.558 4.640 0.001 0.000 0.202 56 D C 1.904 178.206 176.300 0.003 0.000 0.974 56 D CA 0.618 54.626 54.000 0.013 0.000 0.841 56 D CB 0.154 40.948 40.800 -0.009 0.000 0.953 56 D HN 0.062 nan 8.370 nan 0.000 0.478 57 L N -0.316 120.904 121.223 -0.004 0.000 2.131 57 L HA -0.016 4.324 4.340 0.001 0.000 0.206 57 L C 2.134 179.020 176.870 0.027 0.000 1.087 57 L CA 0.255 55.087 54.840 -0.014 0.000 0.767 57 L CB -0.228 41.799 42.059 -0.054 0.000 0.917 57 L HN 0.169 nan 8.230 nan 0.000 0.441 58 L N 0.013 121.288 121.223 0.086 0.000 2.109 58 L HA -0.119 4.222 4.340 0.001 0.000 0.207 58 L C 2.220 179.147 176.870 0.095 0.000 1.086 58 L CA 1.424 56.333 54.840 0.114 0.000 0.760 58 L CB -0.265 41.901 42.059 0.179 0.000 0.910 58 L HN 0.106 nan 8.230 nan 0.000 0.437 59 I N -0.668 119.952 120.570 0.083 0.000 2.567 59 I HA -0.281 3.890 4.170 0.001 0.000 0.257 59 I C 2.127 178.271 176.117 0.044 0.000 1.184 59 I CA 1.026 62.374 61.300 0.079 0.000 1.451 59 I CB -0.119 37.915 38.000 0.056 0.000 1.089 59 I HN 0.261 nan 8.210 nan 0.000 0.441 60 R N 0.638 121.145 120.500 0.010 0.000 2.339 60 R HA 0.029 4.370 4.340 0.001 0.000 0.199 60 R C 0.092 176.349 176.300 -0.072 0.000 1.018 60 R CA 0.401 56.486 56.100 -0.026 0.000 1.036 60 R CB -0.030 30.249 30.300 -0.036 0.000 0.899 60 R HN 0.194 nan 8.270 nan 0.000 0.473 61 K N 0.155 120.502 120.400 -0.088 0.000 2.156 61 K HA 0.322 4.642 4.320 0.001 0.000 0.250 61 K C -0.245 176.252 176.600 -0.173 0.000 0.955 61 K CA -0.385 55.769 56.287 -0.222 0.000 0.855 61 K CB 2.289 34.566 32.500 -0.370 0.000 1.101 61 K HN -0.189 nan 8.250 nan 0.000 0.434 62 S N 0.212 115.734 115.700 -0.296 0.000 2.766 62 S HA 0.196 4.666 4.470 0.001 0.000 0.307 62 S C 1.046 175.555 174.600 -0.152 0.000 1.121 62 S CA -0.620 57.479 58.200 -0.169 0.000 0.980 62 S CB 0.780 63.836 63.200 -0.239 0.000 1.159 62 S HN 0.527 nan 8.310 nan 0.000 0.546 63 N N 1.785 120.547 118.700 0.102 0.000 2.037 63 N HA -0.197 4.544 4.740 0.001 0.000 0.196 63 N C 1.352 176.935 175.510 0.121 0.000 1.034 63 N CA 2.304 55.482 53.050 0.214 0.000 0.861 63 N CB -1.030 37.580 38.487 0.205 0.000 1.039 63 N HN 0.840 nan 8.380 nan 0.000 0.427 64 H N -0.808 118.301 119.070 0.066 0.000 2.567 64 H HA 0.269 4.826 4.556 0.001 0.000 0.276 64 H C 1.436 176.723 175.328 -0.067 0.000 1.016 64 H CA 0.889 56.943 56.048 0.010 0.000 1.186 64 H CB -0.376 29.384 29.762 -0.003 0.000 1.351 64 H HN -0.017 nan 8.280 nan 0.000 0.605 65 S N -0.216 115.231 115.700 -0.422 0.000 2.423 65 S HA 0.003 4.473 4.470 0.001 0.000 0.231 65 S C -0.127 174.156 174.600 -0.529 0.000 1.014 65 S CA 0.455 58.336 58.200 -0.532 0.000 0.965 65 S CB -0.207 62.476 63.200 -0.861 0.000 0.785 65 S HN 0.324 nan 8.310 nan 0.000 0.495 66 F N 1.098 120.978 119.950 -0.116 0.000 2.415 66 F HA 0.504 5.032 4.527 0.001 0.000 0.348 66 F C -0.086 175.674 175.800 -0.067 0.000 1.119 66 F CA -0.855 57.086 58.000 -0.099 0.000 1.069 66 F CB 0.781 39.705 39.000 -0.126 0.000 1.124 66 F HN -0.029 nan 8.300 nan 0.000 0.472 67 L N 4.927 126.204 121.223 0.090 0.000 2.280 67 L HA 0.667 5.008 4.340 0.001 0.000 0.287 67 L C -1.284 175.590 176.870 0.006 0.000 1.023 67 L CA -0.667 54.192 54.840 0.032 0.000 0.819 67 L CB 0.983 43.047 42.059 0.007 0.000 1.212 67 L HN 0.364 nan 8.230 nan 0.000 0.420 68 V N 4.853 124.741 119.914 -0.043 0.000 2.417 68 V HA 0.435 4.556 4.120 0.001 0.000 0.291 68 V C -0.490 175.515 176.094 -0.148 0.000 1.024 68 V CA -0.557 61.675 62.300 -0.113 0.000 0.861 68 V CB 1.720 33.431 31.823 -0.188 0.000 0.985 68 V HN 0.735 nan 8.190 nan 0.000 0.436 69 Q N 2.886 122.604 119.800 -0.136 0.000 2.321 69 Q HA 0.728 5.068 4.340 0.001 0.000 0.270 69 Q C -0.578 175.341 176.000 -0.134 0.000 1.032 69 Q CA -0.597 55.133 55.803 -0.121 0.000 0.784 69 Q CB 2.577 31.281 28.738 -0.058 0.000 1.264 69 Q HN 0.876 nan 8.270 nan 0.000 0.448 70 A N 2.307 125.029 122.820 -0.162 0.000 2.280 70 A HA 0.706 5.027 4.320 0.001 0.000 0.320 70 A C 0.862 178.450 177.584 0.006 0.000 1.366 70 A CA 0.476 52.474 52.037 -0.066 0.000 0.938 70 A CB -0.121 18.829 19.000 -0.083 0.000 1.157 70 A HN 0.942 nan 8.150 nan 0.000 0.536 71 G N 3.416 112.234 108.800 0.030 0.000 2.629 71 G HA2 -0.448 3.513 3.960 0.001 0.000 0.313 71 G HA3 -0.448 3.513 3.960 0.001 0.000 0.313 71 G C 0.763 175.672 174.900 0.015 0.000 1.217 71 G CA 1.103 46.224 45.100 0.034 0.000 0.994 71 G HN 1.762 nan 8.290 nan 0.000 0.549 72 N N -0.552 118.158 118.700 0.016 0.000 2.322 72 N HA 0.370 5.111 4.740 0.001 0.000 0.194 72 N C 0.087 175.594 175.510 -0.004 0.000 1.126 72 N CA 0.399 53.453 53.050 0.007 0.000 0.845 72 N CB 0.646 39.141 38.487 0.013 0.000 0.976 72 N HN 0.523 nan 8.380 nan 0.000 0.475 73 V N 1.474 121.381 119.914 -0.012 0.000 2.370 73 V HA 0.155 4.275 4.120 0.001 0.000 0.283 73 V C -0.000 176.054 176.094 -0.066 0.000 1.023 73 V CA -0.833 61.452 62.300 -0.025 0.000 0.857 73 V CB 1.291 33.111 31.823 -0.005 0.000 0.985 73 V HN 0.364 nan 8.190 nan 0.000 0.443 74 Q N 4.067 123.831 119.800 -0.060 0.000 2.314 74 Q HA 0.401 4.742 4.340 0.001 0.000 0.258 74 Q C -1.553 174.377 176.000 -0.117 0.000 0.954 74 Q CA -0.563 55.190 55.803 -0.083 0.000 0.890 74 Q CB 1.101 29.808 28.738 -0.051 0.000 1.210 74 Q HN 0.499 nan 8.270 nan 0.000 0.410 75 L N 3.829 124.944 121.223 -0.179 0.000 2.322 75 L HA 0.465 4.805 4.340 0.001 0.000 0.281 75 L C -0.007 176.782 176.870 -0.134 0.000 1.014 75 L CA -0.149 54.563 54.840 -0.213 0.000 0.815 75 L CB 1.422 43.221 42.059 -0.433 0.000 1.247 75 L HN 0.671 nan 8.230 nan 0.000 0.421 76 R N 2.281 122.733 120.500 -0.080 0.000 2.265 76 R HA 0.489 4.830 4.340 0.001 0.000 0.314 76 R C -1.088 175.193 176.300 -0.031 0.000 1.053 76 R CA -0.532 55.548 56.100 -0.033 0.000 0.931 76 R CB 0.904 31.200 30.300 -0.006 0.000 1.024 76 R HN 0.422 nan 8.270 nan 0.000 0.457 77 V N 7.709 127.622 119.914 -0.002 0.000 2.508 77 V HA 0.076 4.197 4.120 0.001 0.000 0.281 77 V C 1.230 177.351 176.094 0.045 0.000 1.041 77 V CA 0.026 62.331 62.300 0.009 0.000 1.016 77 V CB 1.024 32.878 31.823 0.051 0.000 0.984 77 V HN 0.810 nan 8.190 nan 0.000 0.478 78 I N 1.680 122.265 120.570 0.026 0.000 4.050 78 I HA 0.726 4.897 4.170 0.001 0.000 0.327 78 I C 0.447 176.577 176.117 0.023 0.000 1.473 78 I CA -0.070 61.250 61.300 0.034 0.000 1.124 78 I CB 0.726 38.737 38.000 0.018 0.000 1.129 78 I HN 0.654 nan 8.210 nan 0.000 0.428 79 G N 1.955 110.771 108.800 0.027 0.000 2.473 79 G HA2 0.432 4.393 3.960 0.001 0.000 0.298 79 G HA3 0.432 4.393 3.960 0.001 0.000 0.298 79 G C -1.658 173.230 174.900 -0.020 0.000 1.575 79 G CA -0.532 44.548 45.100 -0.034 0.000 0.846 79 G HN 0.523 nan 8.290 nan 0.000 0.585 80 H N -1.346 117.666 119.070 -0.096 0.000 3.012 80 H HA 0.862 5.419 4.556 0.001 0.000 0.367 80 H C -0.794 174.469 175.328 -0.108 0.000 1.211 80 H CA -0.522 55.427 56.048 -0.165 0.000 1.139 80 H CB 1.735 31.362 29.762 -0.226 0.000 1.838 80 H HN 1.044 nan 8.280 nan 0.000 0.550 81 S N 2.100 117.779 115.700 -0.036 0.000 2.607 81 S HA 0.502 4.972 4.470 0.001 0.000 0.273 81 S C -0.577 174.016 174.600 -0.011 0.000 1.148 81 S CA -1.105 57.079 58.200 -0.027 0.000 0.833 81 S CB 2.605 65.770 63.200 -0.058 0.000 1.130 81 S HN 0.788 nan 8.310 nan 0.000 0.470 82 M N 1.940 121.547 119.600 0.012 0.000 2.294 82 M HA 0.496 4.977 4.480 0.001 0.000 0.335 82 M C -1.245 175.050 176.300 -0.008 0.000 1.079 82 M CA -0.207 55.092 55.300 -0.002 0.000 0.982 82 M CB 1.661 34.279 32.600 0.030 0.000 1.651 82 M HN 0.867 nan 8.290 nan 0.000 0.437 83 Q N 5.054 124.841 119.800 -0.020 0.000 2.337 83 Q HA 0.303 4.644 4.340 0.001 0.000 0.264 83 Q C -0.565 175.414 176.000 -0.035 0.000 1.007 83 Q CA -0.442 55.353 55.803 -0.012 0.000 0.727 83 Q CB 0.859 29.604 28.738 0.013 0.000 1.256 83 Q HN 1.121 nan 8.270 nan 0.000 0.467 84 N N 1.444 120.124 118.700 -0.034 0.000 1.347 84 N HA -0.294 4.447 4.740 0.001 0.000 0.141 84 N C 0.255 175.720 175.510 -0.074 0.000 0.677 84 N CA 2.057 55.079 53.050 -0.047 0.000 1.016 84 N CB -1.197 37.253 38.487 -0.062 0.000 1.268 84 N HN 0.718 nan 8.380 nan 0.000 0.487 85 C N 1.814 121.057 119.300 -0.095 0.000 2.693 85 C HA 0.467 4.927 4.460 0.001 0.000 0.286 85 C C 1.049 175.999 174.990 -0.067 0.000 1.277 85 C CA -0.470 58.486 59.018 -0.104 0.000 1.705 85 C CB -1.536 26.171 27.740 -0.055 0.000 1.879 85 C HN 0.176 nan 8.230 nan 0.000 0.607 86 L N 0.566 121.740 121.223 -0.082 0.000 2.334 86 L HA 0.613 4.953 4.340 0.001 0.000 0.270 86 L C -0.433 176.382 176.870 -0.092 0.000 1.018 86 L CA -0.561 54.232 54.840 -0.079 0.000 0.811 86 L CB 1.282 43.312 42.059 -0.047 0.000 1.271 86 L HN 0.036 nan 8.230 nan 0.000 0.443 87 L N 1.628 122.776 121.223 -0.125 0.000 2.334 87 L HA 0.551 4.892 4.340 0.001 0.000 0.276 87 L C -0.461 176.288 176.870 -0.203 0.000 1.014 87 L CA -0.685 54.060 54.840 -0.158 0.000 0.815 87 L CB 1.649 43.574 42.059 -0.224 0.000 1.268 87 L HN 0.511 nan 8.230 nan 0.000 0.428 88 R N 3.908 124.275 120.500 -0.221 0.000 2.288 88 R HA 0.575 4.916 4.340 0.001 0.000 0.326 88 R C -1.257 174.857 176.300 -0.311 0.000 0.959 88 R CA -0.531 55.360 56.100 -0.347 0.000 0.834 88 R CB 1.212 31.332 30.300 -0.300 0.000 1.157 88 R HN 0.485 nan 8.270 nan 0.000 0.470 89 L N 3.704 124.711 121.223 -0.359 0.000 2.265 89 L HA 0.402 4.743 4.340 0.001 0.000 0.289 89 L C -0.185 176.554 176.870 -0.217 0.000 1.033 89 L CA -0.970 53.690 54.840 -0.300 0.000 0.814 89 L CB 1.131 42.965 42.059 -0.375 0.000 1.203 89 L HN 0.288 nan 8.230 nan 0.000 0.423 90 K N 2.798 123.111 120.400 -0.145 0.000 2.379 90 K HA 0.349 4.669 4.320 0.001 0.000 0.284 90 K C -0.226 176.337 176.600 -0.063 0.000 1.044 90 K CA -0.162 56.074 56.287 -0.086 0.000 0.974 90 K CB 1.072 33.536 32.500 -0.060 0.000 0.962 90 K HN 0.442 nan 8.250 nan 0.000 0.474 91 V N -1.022 118.871 119.914 -0.035 0.000 3.103 91 V HA 0.394 4.515 4.120 0.001 0.000 0.318 91 V C 0.492 176.594 176.094 0.014 0.000 1.114 91 V CA -0.763 61.512 62.300 -0.041 0.000 1.020 91 V CB 1.888 33.633 31.823 -0.131 0.000 1.085 91 V HN 0.798 nan 8.190 nan 0.000 0.446 92 D N -0.409 119.995 120.400 0.007 0.000 2.347 92 D HA 0.046 4.687 4.640 0.001 0.000 0.213 92 D C 0.605 176.947 176.300 0.071 0.000 0.985 92 D CA 0.434 54.453 54.000 0.032 0.000 0.879 92 D CB -0.061 40.750 40.800 0.018 0.000 0.919 92 D HN 0.612 nan 8.370 nan 0.000 0.526 93 T N 0.129 114.751 114.554 0.114 0.000 2.797 93 T HA 0.447 4.798 4.350 0.001 0.000 0.279 93 T C -0.469 174.478 174.700 0.412 0.000 0.991 93 T CA -0.624 61.614 62.100 0.229 0.000 0.979 93 T CB 1.757 70.767 68.868 0.237 0.000 0.943 93 T HN -0.140 nan 8.240 nan 0.000 0.444 94 S N 3.022 118.887 115.700 0.276 0.000 2.525 94 S HA 0.284 4.755 4.470 0.001 0.000 0.278 94 S C 0.386 174.962 174.600 -0.039 0.000 1.234 94 S CA -0.721 57.578 58.200 0.165 0.000 1.058 94 S CB 0.383 63.615 63.200 0.054 0.000 0.983 94 S HN 0.659 nan 8.310 nan 0.000 0.495 95 N N 4.166 122.531 118.700 -0.559 0.000 2.416 95 N HA 0.161 4.901 4.740 0.001 0.000 0.265 95 N C -1.458 173.732 175.510 -0.533 0.000 1.195 95 N CA -1.950 50.392 53.050 -1.180 0.000 0.943 95 N CB 0.921 38.160 38.487 -2.078 0.000 1.115 95 N HN 0.247 nan 8.380 nan 0.000 0.481 96 P HA -0.076 nan 4.420 nan 0.000 0.226 96 P C 0.073 177.270 177.300 -0.171 0.000 1.153 96 P CA 1.003 63.996 63.100 -0.178 0.000 0.777 96 P CB 0.386 32.026 31.700 -0.099 0.000 0.794 97 K N -0.614 119.640 120.400 -0.243 0.000 2.372 97 K HA 0.156 4.477 4.320 0.001 0.000 0.200 97 K C 0.342 176.846 176.600 -0.161 0.000 1.022 97 K CA 0.077 56.265 56.287 -0.165 0.000 1.125 97 K CB -0.611 31.808 32.500 -0.136 0.000 0.855 97 K HN 0.061 nan 8.250 nan 0.000 0.524 98 T N 5.388 119.818 114.554 -0.206 0.000 2.792 98 T HA 0.045 4.396 4.350 0.001 0.000 0.286 98 T C -1.930 172.755 174.700 -0.025 0.000 0.970 98 T CA -0.601 61.416 62.100 -0.138 0.000 1.187 98 T CB 0.423 69.205 68.868 -0.142 0.000 0.915 98 T HN 0.184 nan 8.240 nan 0.000 0.529 99 P HA 0.217 nan 4.420 nan 0.000 0.276 99 P C -0.187 177.200 177.300 0.144 0.000 1.261 99 P CA -0.812 62.321 63.100 0.055 0.000 0.800 99 P CB 0.814 32.530 31.700 0.026 0.000 1.066 100 K N 1.046 121.492 120.400 0.076 0.000 2.451 100 K HA 0.069 4.390 4.320 0.001 0.000 0.280 100 K C -0.670 175.999 176.600 0.116 0.000 1.020 100 K CA 0.159 56.479 56.287 0.055 0.000 1.008 100 K CB -0.244 32.255 32.500 -0.002 0.000 0.917 100 K HN 0.555 nan 8.250 nan 0.000 0.478 101 Y N 0.336 120.610 120.300 -0.044 0.000 2.625 101 Y HA 0.575 5.126 4.550 0.001 0.000 0.338 101 Y C -1.565 174.298 175.900 -0.061 0.000 1.123 101 Y CA -1.261 56.820 58.100 -0.031 0.000 1.046 101 Y CB 1.412 39.965 38.460 0.154 0.000 1.299 101 Y HN 0.434 nan 8.280 nan 0.000 0.464 102 K N 1.193 121.641 120.400 0.080 0.000 2.512 102 K HA 0.571 4.891 4.320 0.001 0.000 0.263 102 K C -2.058 174.772 176.600 0.384 0.000 0.966 102 K CA -0.887 55.393 56.287 -0.010 0.000 0.851 102 K CB 2.212 34.699 32.500 -0.021 0.000 1.395 102 K HN 0.457 nan 8.250 nan 0.000 0.440 103 F N 1.234 121.271 119.950 0.146 0.000 2.436 103 F HA 0.506 5.034 4.527 0.002 0.000 0.340 103 F C -0.100 175.735 175.800 0.059 0.000 1.113 103 F CA -1.175 56.902 58.000 0.129 0.000 1.022 103 F CB 1.642 40.679 39.000 0.061 0.000 1.128 103 F HN 0.016 nan 8.300 nan 0.000 0.466 104 V N 3.587 123.646 119.914 0.242 0.000 2.789 104 V HA 0.486 4.607 4.120 0.001 0.000 0.311 104 V C -0.444 175.720 176.094 0.116 0.000 1.073 104 V CA -1.135 61.244 62.300 0.132 0.000 0.921 104 V CB 2.636 34.509 31.823 0.082 0.000 1.009 104 V HN 0.643 nan 8.190 nan 0.000 0.426 105 R N 4.130 124.694 120.500 0.107 0.000 2.215 105 R HA 0.623 4.964 4.340 0.001 0.000 0.336 105 R C -0.366 176.054 176.300 0.200 0.000 0.996 105 R CA -0.448 55.748 56.100 0.161 0.000 0.847 105 R CB 0.761 31.100 30.300 0.066 0.000 1.127 105 R HN 0.795 nan 8.270 nan 0.000 0.465 106 I N -0.024 120.694 120.570 0.247 0.000 2.970 106 I HA 0.328 4.498 4.170 0.001 0.000 0.310 106 I C -0.150 176.072 176.117 0.175 0.000 1.010 106 I CA -0.891 60.482 61.300 0.122 0.000 1.228 106 I CB 1.036 39.033 38.000 -0.005 0.000 1.433 106 I HN 0.359 nan 8.210 nan 0.000 0.573 107 Q N 1.933 121.799 119.800 0.109 0.000 2.214 107 Q HA 0.475 4.815 4.340 0.001 0.000 0.251 107 Q C -2.374 173.659 176.000 0.055 0.000 0.936 107 Q CA -1.776 54.096 55.803 0.115 0.000 0.894 107 Q CB 1.090 29.881 28.738 0.089 0.000 1.252 107 Q HN 0.443 nan 8.270 nan 0.000 0.448 108 P HA -0.049 nan 4.420 nan 0.000 0.264 108 P C 0.563 177.839 177.300 -0.040 0.000 1.179 108 P CA 1.400 64.458 63.100 -0.070 0.000 0.763 108 P CB 0.343 31.926 31.700 -0.195 0.000 0.806 109 G N 0.891 109.663 108.800 -0.046 0.000 2.258 109 G HA2 -0.237 3.723 3.960 0.001 0.000 0.233 109 G HA3 -0.237 3.723 3.960 0.001 0.000 0.233 109 G C 0.309 175.198 174.900 -0.018 0.000 1.006 109 G CA 0.095 45.168 45.100 -0.046 0.000 0.620 109 G HN 0.681 nan 8.290 nan 0.000 0.511 110 Q N 2.170 121.978 119.800 0.013 0.000 2.354 110 Q HA 0.598 4.939 4.340 0.001 0.000 0.244 110 Q C 0.767 176.815 176.000 0.079 0.000 0.969 110 Q CA 0.699 56.530 55.803 0.047 0.000 0.885 110 Q CB 0.730 29.498 28.738 0.051 0.000 1.241 110 Q HN 0.703 nan 8.270 nan 0.000 0.461 111 T N 0.578 115.174 114.554 0.070 0.000 2.944 111 T HA 0.820 5.171 4.350 0.001 0.000 0.284 111 T C -0.456 174.333 174.700 0.148 0.000 1.010 111 T CA -0.609 61.486 62.100 -0.008 0.000 1.025 111 T CB 0.660 69.478 68.868 -0.084 0.000 1.079 111 T HN 0.631 nan 8.240 nan 0.000 0.516 112 F N -2.255 117.616 119.950 -0.132 0.000 2.770 112 F HA 0.710 5.237 4.527 0.001 0.000 0.313 112 F C -1.067 174.565 175.800 -0.280 0.000 1.154 112 F CA -1.286 56.622 58.000 -0.154 0.000 0.923 112 F CB 0.842 39.755 39.000 -0.146 0.000 1.301 112 F HN 0.578 nan 8.300 nan 0.000 0.449 113 S N 1.016 116.543 115.700 -0.288 0.000 2.541 113 S HA 0.748 5.218 4.470 0.001 0.000 0.283 113 S C -0.841 173.459 174.600 -0.501 0.000 1.196 113 S CA -0.750 57.111 58.200 -0.565 0.000 1.062 113 S CB 1.797 64.555 63.200 -0.737 0.000 1.009 113 S HN 0.562 nan 8.310 nan 0.000 0.502 114 V N 3.447 123.054 119.914 -0.511 0.000 2.417 114 V HA 0.364 4.485 4.120 0.001 0.000 0.291 114 V C -0.627 175.356 176.094 -0.185 0.000 1.024 114 V CA -0.736 61.372 62.300 -0.320 0.000 0.861 114 V CB 1.427 32.766 31.823 -0.807 0.000 0.985 114 V HN 0.706 nan 8.190 nan 0.000 0.436 115 L N 5.822 127.170 121.223 0.209 0.000 2.270 115 L HA 0.728 5.069 4.340 0.001 0.000 0.286 115 L C 0.541 177.485 176.870 0.123 0.000 1.059 115 L CA -0.035 54.925 54.840 0.200 0.000 0.839 115 L CB 0.527 42.768 42.059 0.303 0.000 1.221 115 L HN 0.735 nan 8.230 nan 0.000 0.431 116 A N 4.842 127.705 122.820 0.071 0.000 2.366 116 A HA 0.604 4.925 4.320 0.001 0.000 0.272 116 A C -0.377 177.247 177.584 0.066 0.000 1.135 116 A CA -0.306 51.770 52.037 0.066 0.000 0.804 116 A CB 0.114 19.161 19.000 0.078 0.000 1.064 116 A HN 0.802 nan 8.150 nan 0.000 0.499 117 C N 0.959 120.199 119.300 -0.099 0.000 2.898 117 C HA 0.747 5.208 4.460 0.001 0.000 0.304 117 C C -1.190 173.571 174.990 -0.382 0.000 1.237 117 C CA -0.600 58.378 59.018 -0.066 0.000 1.529 117 C CB 0.952 28.694 27.740 0.002 0.000 2.021 117 C HN 0.802 nan 8.230 nan 0.000 0.474 118 Y N 1.233 121.591 120.300 0.096 0.000 2.386 118 Y HA 0.333 4.884 4.550 0.001 0.000 0.334 118 Y C 0.453 176.392 175.900 0.065 0.000 1.002 118 Y CA -0.559 57.593 58.100 0.087 0.000 1.068 118 Y CB 0.978 39.486 38.460 0.080 0.000 1.203 118 Y HN 0.775 nan 8.280 nan 0.000 0.443 119 N N 2.263 121.056 118.700 0.155 0.000 2.707 119 N HA -0.213 4.528 4.740 0.001 0.000 0.253 119 N C 0.993 176.545 175.510 0.071 0.000 0.998 119 N CA 1.739 54.847 53.050 0.097 0.000 0.751 119 N CB -1.003 37.545 38.487 0.101 0.000 0.920 119 N HN 1.197 nan 8.380 nan 0.000 0.539 120 G N -2.173 106.660 108.800 0.055 0.000 2.179 120 G HA2 -0.277 3.684 3.960 0.001 0.000 0.260 120 G HA3 -0.277 3.684 3.960 0.001 0.000 0.260 120 G C -0.001 174.939 174.900 0.067 0.000 0.977 120 G CA 0.600 45.727 45.100 0.045 0.000 0.641 120 G HN 1.125 nan 8.290 nan 0.000 0.533 121 S N 1.091 116.845 115.700 0.091 0.000 2.530 121 S HA 0.685 5.156 4.470 0.001 0.000 0.322 121 S C -2.546 172.130 174.600 0.125 0.000 1.085 121 S CA -1.323 56.938 58.200 0.101 0.000 1.096 121 S CB 1.811 65.072 63.200 0.100 0.000 0.988 121 S HN 0.061 nan 8.310 nan 0.000 0.466 122 P HA 0.114 nan 4.420 nan 0.000 0.263 122 P C 0.206 177.590 177.300 0.140 0.000 1.195 122 P CA -0.011 63.160 63.100 0.119 0.000 0.762 122 P CB 0.889 32.647 31.700 0.096 0.000 0.799 123 S N 2.107 117.916 115.700 0.182 0.000 2.564 123 S HA 0.452 4.922 4.470 0.001 0.000 0.231 123 S C 0.791 175.474 174.600 0.138 0.000 1.067 123 S CA 0.302 58.607 58.200 0.175 0.000 0.908 123 S CB 0.082 63.439 63.200 0.262 0.000 0.809 123 S HN 0.559 nan 8.310 nan 0.000 0.491 124 G N 0.211 109.101 108.800 0.150 0.000 2.632 124 G HA2 0.533 4.494 3.960 0.001 0.000 0.292 124 G HA3 0.533 4.494 3.960 0.001 0.000 0.292 124 G C -2.195 172.786 174.900 0.135 0.000 1.465 124 G CA -0.314 44.864 45.100 0.130 0.000 0.824 124 G HN 0.567 nan 8.290 nan 0.000 0.509 125 V N 1.172 121.158 119.914 0.121 0.000 2.656 125 V HA 0.926 5.047 4.120 0.001 0.000 0.307 125 V C -1.222 174.922 176.094 0.084 0.000 1.051 125 V CA -0.780 61.562 62.300 0.070 0.000 0.893 125 V CB 1.371 33.251 31.823 0.094 0.000 0.999 125 V HN 1.251 nan 8.190 nan 0.000 0.426 126 Y N 2.933 123.171 120.300 -0.105 0.000 2.655 126 Y HA 0.832 5.383 4.550 0.002 0.000 0.336 126 Y C -0.886 174.868 175.900 -0.243 0.000 1.154 126 Y CA -1.309 56.688 58.100 -0.171 0.000 1.055 126 Y CB 1.605 39.947 38.460 -0.197 0.000 1.295 126 Y HN 0.569 nan 8.280 nan 0.000 0.465 127 Q N 1.675 121.417 119.800 -0.098 0.000 2.312 127 Q HA 0.743 5.084 4.340 0.001 0.000 0.263 127 Q C -1.028 174.805 176.000 -0.278 0.000 0.995 127 Q CA -0.406 55.225 55.803 -0.287 0.000 0.853 127 Q CB 1.612 30.180 28.738 -0.285 0.000 1.300 127 Q HN 1.038 nan 8.270 nan 0.000 0.448 128 C N 0.628 119.628 119.300 -0.501 0.000 3.285 128 C HA 1.059 5.520 4.460 0.001 0.000 0.320 128 C C -0.663 173.959 174.990 -0.613 0.000 1.411 128 C CA -0.757 57.966 59.018 -0.492 0.000 1.429 128 C CB 0.965 28.445 27.740 -0.432 0.000 1.812 128 C HN 0.968 nan 8.230 nan 0.000 0.454 129 A N 0.915 123.477 122.820 -0.430 0.000 2.350 129 A HA 0.758 5.079 4.320 0.001 0.000 0.324 129 A C -0.468 176.994 177.584 -0.202 0.000 1.118 129 A CA -0.409 51.453 52.037 -0.292 0.000 0.783 129 A CB 1.014 19.897 19.000 -0.195 0.000 1.236 129 A HN 1.284 nan 8.150 nan 0.000 0.457 130 M N 3.010 122.594 119.600 -0.026 0.000 2.227 130 M HA 0.251 4.732 4.480 0.001 0.000 0.349 130 M C 0.369 176.650 176.300 -0.032 0.000 1.443 130 M CA 0.065 55.384 55.300 0.031 0.000 1.110 130 M CB 0.106 32.743 32.600 0.061 0.000 1.773 130 M HN 0.634 nan 8.290 nan 0.000 0.463 131 R N 5.546 126.034 120.500 -0.021 0.000 2.738 131 R HA 0.190 4.530 4.340 0.001 0.000 0.268 131 R C -1.811 174.444 176.300 -0.076 0.000 1.062 131 R CA -1.954 54.123 56.100 -0.038 0.000 1.158 131 R CB -0.760 29.540 30.300 0.001 0.000 1.046 131 R HN 0.478 nan 8.270 nan 0.000 0.493 132 P HA -0.127 nan 4.420 nan 0.000 0.221 132 P C 0.482 177.676 177.300 -0.176 0.000 1.145 132 P CA 1.261 64.283 63.100 -0.131 0.000 0.795 132 P CB 0.135 31.794 31.700 -0.070 0.000 0.775 133 N N -1.818 116.854 118.700 -0.046 0.000 2.322 133 N HA -0.074 4.667 4.740 0.001 0.000 0.194 133 N C -0.120 175.549 175.510 0.264 0.000 1.126 133 N CA -0.005 53.096 53.050 0.084 0.000 0.845 133 N CB -1.141 37.429 38.487 0.138 0.000 0.976 133 N HN 0.206 nan 8.380 nan 0.000 0.475 134 H N -2.819 116.366 119.070 0.192 0.000 3.636 134 H HA -0.166 4.391 4.556 0.001 0.000 0.179 134 H C -0.076 175.445 175.328 0.322 0.000 0.968 134 H CA 1.273 57.480 56.048 0.265 0.000 1.220 134 H CB -2.158 27.820 29.762 0.359 0.000 1.023 134 H HN 0.590 nan 8.280 nan 0.000 0.366 135 T N -1.231 113.533 114.554 0.350 0.000 2.862 135 T HA 0.665 5.015 4.350 0.001 0.000 0.276 135 T C 0.310 175.111 174.700 0.169 0.000 0.974 135 T CA -0.714 61.545 62.100 0.266 0.000 0.966 135 T CB 2.085 71.064 68.868 0.185 0.000 1.072 135 T HN 0.199 nan 8.240 nan 0.000 0.538 136 I N 0.227 120.902 120.570 0.175 0.000 2.647 136 I HA 0.356 4.527 4.170 0.001 0.000 0.295 136 I C -0.192 176.039 176.117 0.189 0.000 1.078 136 I CA -0.811 60.563 61.300 0.123 0.000 1.048 136 I CB 2.464 40.511 38.000 0.078 0.000 1.239 136 I HN 0.601 nan 8.210 nan 0.000 0.421 137 K N 4.390 124.848 120.400 0.096 0.000 2.231 137 K HA 0.544 4.865 4.320 0.001 0.000 0.275 137 K C 0.148 176.808 176.600 0.100 0.000 1.105 137 K CA -0.290 56.058 56.287 0.102 0.000 0.931 137 K CB 0.988 33.487 32.500 -0.001 0.000 1.296 137 K HN 0.833 nan 8.250 nan 0.000 0.446 138 G N 0.165 109.135 108.800 0.282 0.000 2.971 138 G HA2 0.327 4.288 3.960 0.001 0.000 0.235 138 G HA3 0.327 4.288 3.960 0.001 0.000 0.235 138 G C -0.950 173.816 174.900 -0.223 0.000 1.351 138 G CA -0.470 44.603 45.100 -0.044 0.000 1.039 138 G HN 0.314 nan 8.290 nan 0.000 0.563 139 S N -0.406 114.921 115.700 -0.621 0.000 2.496 139 S HA 0.567 5.037 4.470 0.001 0.000 0.221 139 S C -1.659 172.641 174.600 -0.499 0.000 1.260 139 S CA -0.547 57.403 58.200 -0.418 0.000 1.181 139 S CB -0.347 62.564 63.200 -0.482 0.000 1.136 139 S HN 0.312 nan 8.310 nan 0.000 0.467 140 F N 3.588 123.446 119.950 -0.152 0.000 2.507 140 F HA 0.604 5.132 4.527 0.000 0.000 0.325 140 F C 0.088 175.991 175.800 0.172 0.000 1.116 140 F CA -0.761 57.200 58.000 -0.065 0.000 0.930 140 F CB 1.409 40.167 39.000 -0.402 0.000 1.146 140 F HN 0.242 nan 8.300 nan 0.000 0.447 141 L N 2.315 123.851 121.223 0.522 0.000 2.335 141 L HA 0.430 4.770 4.340 0.001 0.000 0.268 141 L C -0.118 177.040 176.870 0.480 0.000 1.016 141 L CA -1.389 53.698 54.840 0.412 0.000 0.805 141 L CB 0.992 43.175 42.059 0.207 0.000 1.311 141 L HN 0.611 nan 8.230 nan 0.000 0.456 142 N N 1.148 120.034 118.700 0.310 0.000 2.359 142 N HA 0.005 4.746 4.740 0.001 0.000 0.261 142 N C 0.545 176.271 175.510 0.360 0.000 1.267 142 N CA 0.936 54.145 53.050 0.265 0.000 0.864 142 N CB 0.879 39.465 38.487 0.165 0.000 1.063 142 N HN 0.820 nan 8.380 nan 0.000 0.474 143 G N 1.193 110.170 108.800 0.296 0.000 2.201 143 G HA2 -0.298 3.662 3.960 0.001 0.000 0.212 143 G HA3 -0.298 3.662 3.960 0.001 0.000 0.212 143 G C 0.658 175.607 174.900 0.081 0.000 0.994 143 G CA 0.473 45.740 45.100 0.279 0.000 0.644 143 G HN 1.094 nan 8.290 nan 0.000 0.508 144 S N -0.728 114.986 115.700 0.023 0.000 2.558 144 S HA 0.299 4.770 4.470 0.001 0.000 0.217 144 S C 1.263 175.896 174.600 0.055 0.000 0.975 144 S CA 0.561 58.654 58.200 -0.177 0.000 0.912 144 S CB -0.263 62.936 63.200 -0.002 0.000 0.776 144 S HN 0.810 nan 8.310 nan 0.000 0.526 145 C N 2.236 121.589 119.300 0.088 0.000 2.634 145 C HA 0.549 5.010 4.460 0.001 0.000 0.417 145 C C 2.003 176.929 174.990 -0.107 0.000 1.334 145 C CA 0.661 59.671 59.018 -0.014 0.000 1.829 145 C CB -0.580 27.140 27.740 -0.032 0.000 2.665 145 C HN 0.926 nan 8.230 nan 0.000 0.614 146 G N 2.522 111.202 108.800 -0.200 0.000 2.225 146 G HA2 -0.236 3.725 3.960 0.001 0.000 0.254 146 G HA3 -0.236 3.725 3.960 0.001 0.000 0.254 146 G C 0.293 175.150 174.900 -0.071 0.000 0.988 146 G CA 0.284 45.270 45.100 -0.191 0.000 0.625 146 G HN 0.805 nan 8.290 nan 0.000 0.527 147 S N 0.127 115.844 115.700 0.029 0.000 2.558 147 S HA 0.450 4.921 4.470 0.001 0.000 0.288 147 S C 0.639 175.359 174.600 0.200 0.000 1.318 147 S CA 0.335 58.620 58.200 0.141 0.000 1.056 147 S CB 1.629 65.000 63.200 0.286 0.000 0.853 147 S HN 1.643 nan 8.310 nan 0.000 0.505 148 V N 0.334 120.395 119.914 0.245 0.000 2.815 148 V HA 1.018 5.139 4.120 0.001 0.000 0.314 148 V C 0.303 176.713 176.094 0.526 0.000 1.064 148 V CA -0.826 61.663 62.300 0.315 0.000 0.952 148 V CB 1.568 33.520 31.823 0.214 0.000 1.020 148 V HN 0.835 nan 8.190 nan 0.000 0.439 149 G N 2.090 111.227 108.800 0.562 0.000 2.432 149 G HA2 0.867 4.828 3.960 0.001 0.000 0.331 149 G HA3 0.867 4.828 3.960 0.001 0.000 0.331 149 G C -1.226 173.960 174.900 0.477 0.000 1.170 149 G CA -0.659 44.765 45.100 0.541 0.000 0.943 149 G HN 1.583 nan 8.290 nan 0.000 0.483 150 F N -1.097 118.984 119.950 0.218 0.000 2.741 150 F HA 0.610 5.138 4.527 0.001 0.000 0.311 150 F C -1.063 174.756 175.800 0.032 0.000 1.149 150 F CA -1.534 56.480 58.000 0.022 0.000 0.930 150 F CB 1.330 40.241 39.000 -0.149 0.000 1.312 150 F HN 0.355 nan 8.300 nan 0.000 0.450 151 N N 1.054 119.711 118.700 -0.071 0.000 2.328 151 N HA 0.691 5.431 4.740 0.001 0.000 0.299 151 N C -1.621 173.502 175.510 -0.644 0.000 1.179 151 N CA -0.585 52.210 53.050 -0.425 0.000 0.793 151 N CB 2.929 41.266 38.487 -0.250 0.000 1.366 151 N HN 0.598 nan 8.380 nan 0.000 0.493 152 I N 0.963 120.687 120.570 -1.411 0.000 2.545 152 I HA 0.282 4.452 4.170 0.001 0.000 0.292 152 I C -1.076 174.663 176.117 -0.630 0.000 1.040 152 I CA -0.753 60.080 61.300 -0.778 0.000 1.068 152 I CB 2.208 39.908 38.000 -0.501 0.000 1.251 152 I HN 0.434 nan 8.210 nan 0.000 0.424 153 D N 5.949 126.143 120.400 -0.344 0.000 2.736 153 D HA 0.182 4.823 4.640 0.001 0.000 0.243 153 D C -0.931 175.252 176.300 -0.195 0.000 1.304 153 D CA -0.671 53.132 54.000 -0.329 0.000 0.934 153 D CB 1.220 41.839 40.800 -0.302 0.000 1.382 153 D HN 0.411 nan 8.370 nan 0.000 0.571 154 Y N 1.617 121.927 120.300 0.016 0.000 2.995 154 Y HA -0.261 4.290 4.550 0.001 0.000 0.201 154 Y C 0.642 176.534 175.900 -0.012 0.000 1.337 154 Y CA 0.748 58.856 58.100 0.013 0.000 0.814 154 Y CB -2.008 36.461 38.460 0.015 0.000 1.271 154 Y HN 0.622 nan 8.280 nan 0.000 0.390 155 D N -2.730 117.725 120.400 0.091 0.000 3.028 155 D HA -0.267 4.373 4.640 0.001 0.000 0.211 155 D C 0.485 176.783 176.300 -0.003 0.000 1.136 155 D CA 1.420 55.444 54.000 0.040 0.000 0.987 155 D CB -1.165 39.668 40.800 0.055 0.000 1.128 155 D HN 0.676 nan 8.370 nan 0.000 0.406 156 C N 1.247 120.535 119.300 -0.021 0.000 2.285 156 C HA 0.555 5.016 4.460 0.001 0.000 0.335 156 C C 0.436 175.348 174.990 -0.130 0.000 1.267 156 C CA -0.693 58.294 59.018 -0.053 0.000 1.762 156 C CB 0.141 27.860 27.740 -0.035 0.000 2.365 156 C HN 0.083 nan 8.230 nan 0.000 0.527 157 V N 7.331 127.152 119.914 -0.155 0.000 2.408 157 V HA 0.258 4.379 4.120 0.001 0.000 0.267 157 V C 0.562 176.461 176.094 -0.325 0.000 1.047 157 V CA 0.324 62.420 62.300 -0.341 0.000 0.937 157 V CB 1.214 32.676 31.823 -0.602 0.000 0.999 157 V HN 0.970 nan 8.190 nan 0.000 0.472 158 S N 5.939 121.477 115.700 -0.270 0.000 2.404 158 S HA 0.549 5.020 4.470 0.001 0.000 0.309 158 S C -0.410 174.137 174.600 -0.089 0.000 1.076 158 S CA -0.334 57.799 58.200 -0.111 0.000 1.095 158 S CB -0.008 63.145 63.200 -0.078 0.000 0.972 158 S HN 0.446 nan 8.310 nan 0.000 0.484 159 F N 1.936 122.010 119.950 0.207 0.000 2.427 159 F HA 0.228 4.756 4.527 0.001 0.000 0.352 159 F C 1.546 177.380 175.800 0.057 0.000 1.100 159 F CA -0.889 57.200 58.000 0.147 0.000 1.191 159 F CB 0.508 39.572 39.000 0.106 0.000 1.128 159 F HN 0.725 nan 8.300 nan 0.000 0.533 160 C N 1.505 120.901 119.300 0.160 0.000 3.580 160 C HA 0.415 4.876 4.460 0.001 0.000 0.337 160 C C -0.418 174.598 174.990 0.044 0.000 1.412 160 C CA -0.674 58.364 59.018 0.032 0.000 1.797 160 C CB -1.084 26.583 27.740 -0.122 0.000 2.470 160 C HN 0.699 nan 8.230 nan 0.000 0.691 161 Y N 1.288 121.510 120.300 -0.130 0.000 2.479 161 Y HA 0.687 5.238 4.550 0.001 0.000 0.338 161 Y C -1.047 174.853 175.900 -0.000 0.000 1.055 161 Y CA -1.125 56.916 58.100 -0.098 0.000 1.023 161 Y CB 1.575 39.813 38.460 -0.370 0.000 1.287 161 Y HN 0.293 nan 8.280 nan 0.000 0.447 162 M N 5.937 125.167 119.600 -0.618 0.000 2.327 162 M HA 0.357 4.838 4.480 0.001 0.000 0.298 162 M C -1.916 173.955 176.300 -0.714 0.000 1.065 162 M CA -0.768 54.246 55.300 -0.476 0.000 0.916 162 M CB 1.186 33.597 32.600 -0.314 0.000 1.630 162 M HN 0.950 nan 8.290 nan 0.000 0.442 163 H N 2.006 120.760 119.070 -0.526 0.000 2.683 163 H HA 0.311 4.867 4.556 0.001 0.000 0.339 163 H C -0.699 174.469 175.328 -0.266 0.000 1.081 163 H CA 1.075 56.880 56.048 -0.405 0.000 1.432 163 H CB 0.731 30.240 29.762 -0.422 0.000 1.462 163 H HN 0.814 nan 8.280 nan 0.000 0.557 164 H N 2.623 121.194 119.070 -0.831 0.000 2.545 164 H HA 0.266 4.822 4.556 0.001 0.000 0.251 164 H C -0.221 174.875 175.328 -0.386 0.000 0.934 164 H CA 0.928 56.745 56.048 -0.384 0.000 1.116 164 H CB 0.506 30.198 29.762 -0.117 0.000 1.439 164 H HN 0.651 nan 8.280 nan 0.000 0.445 165 M N -1.440 117.934 119.600 -0.377 0.000 2.603 165 M HA 0.420 4.901 4.480 0.001 0.000 0.275 165 M C -1.584 174.766 176.300 0.082 0.000 1.226 165 M CA -0.824 54.413 55.300 -0.105 0.000 0.870 165 M CB 3.059 35.657 32.600 -0.003 0.000 1.716 165 M HN -0.130 nan 8.290 nan 0.000 0.482 166 E N 1.495 121.763 120.200 0.114 0.000 2.191 166 E HA 0.679 5.030 4.350 0.001 0.000 0.278 166 E C -1.724 174.847 176.600 -0.047 0.000 0.972 166 E CA -0.681 55.773 56.400 0.090 0.000 0.804 166 E CB 1.713 31.502 29.700 0.149 0.000 1.110 166 E HN 0.671 nan 8.360 nan 0.000 0.394 167 L N 4.969 126.115 121.223 -0.129 0.000 2.375 167 L HA 0.303 4.644 4.340 0.001 0.000 0.268 167 L C -1.659 175.166 176.870 -0.074 0.000 1.058 167 L CA -1.982 52.786 54.840 -0.121 0.000 0.803 167 L CB 1.022 42.975 42.059 -0.175 0.000 1.212 167 L HN 0.497 nan 8.230 nan 0.000 0.451 168 P HA -0.166 nan 4.420 nan 0.000 0.217 168 P C 1.116 178.403 177.300 -0.022 0.000 1.148 168 P CA 1.295 64.384 63.100 -0.018 0.000 0.828 168 P CB -0.027 31.672 31.700 -0.002 0.000 0.783 169 T N -5.283 109.255 114.554 -0.028 0.000 3.194 169 T HA 0.291 4.641 4.350 0.001 0.000 0.251 169 T C 1.464 176.135 174.700 -0.048 0.000 1.132 169 T CA 0.414 62.499 62.100 -0.024 0.000 1.028 169 T CB -0.959 67.903 68.868 -0.010 0.000 0.976 169 T HN 0.263 nan 8.240 nan 0.000 0.535 170 G N 0.845 109.596 108.800 -0.081 0.000 2.143 170 G HA2 -0.232 3.729 3.960 0.001 0.000 0.249 170 G HA3 -0.232 3.729 3.960 0.001 0.000 0.249 170 G C 0.171 174.914 174.900 -0.262 0.000 0.981 170 G CA 0.162 45.191 45.100 -0.118 0.000 0.665 170 G HN 1.310 nan 8.290 nan 0.000 0.528 171 V N -2.991 116.756 119.914 -0.278 0.000 3.234 171 V HA 0.947 5.068 4.120 0.001 0.000 0.317 171 V C 0.331 176.111 176.094 -0.524 0.000 1.081 171 V CA -1.180 60.922 62.300 -0.330 0.000 1.037 171 V CB 1.296 33.076 31.823 -0.072 0.000 1.148 171 V HN 0.340 nan 8.190 nan 0.000 0.453 172 H N -0.114 119.054 119.070 0.163 0.000 2.670 172 H HA 0.916 5.473 4.556 0.001 0.000 0.361 172 H C -0.095 175.364 175.328 0.219 0.000 1.169 172 H CA 0.161 56.357 56.048 0.246 0.000 1.198 172 H CB 1.871 31.865 29.762 0.386 0.000 1.700 172 H HN 1.166 nan 8.280 nan 0.000 0.542 173 A N 0.886 123.916 122.820 0.349 0.000 2.498 173 A HA 0.851 5.172 4.320 0.001 0.000 0.298 173 A C -0.376 177.444 177.584 0.394 0.000 1.075 173 A CA -0.023 52.203 52.037 0.315 0.000 0.714 173 A CB 1.659 20.580 19.000 -0.132 0.000 1.299 173 A HN 0.921 nan 8.150 nan 0.000 0.407 174 G N -0.683 108.324 108.800 0.345 0.000 2.554 174 G HA2 0.737 4.698 3.960 0.001 0.000 0.306 174 G HA3 0.737 4.698 3.960 0.001 0.000 0.306 174 G C -0.521 174.044 174.900 -0.558 0.000 1.320 174 G CA 0.358 45.273 45.100 -0.309 0.000 0.800 174 G HN 1.588 nan 8.290 nan 0.000 0.481 175 T N -1.808 112.255 114.554 -0.817 0.000 2.927 175 T HA 0.668 5.019 4.350 0.001 0.000 0.286 175 T C -0.254 174.208 174.700 -0.396 0.000 1.040 175 T CA -0.078 61.582 62.100 -0.733 0.000 1.010 175 T CB 1.831 70.144 68.868 -0.926 0.000 1.177 175 T HN 0.801 nan 8.240 nan 0.000 0.546 176 D N 0.210 120.291 120.400 -0.531 0.000 2.414 176 D HA 0.120 4.760 4.640 0.001 0.000 0.251 176 D C 0.978 177.063 176.300 -0.359 0.000 1.252 176 D CA -0.989 52.826 54.000 -0.309 0.000 0.999 176 D CB 0.190 40.786 40.800 -0.340 0.000 1.093 176 D HN 0.304 nan 8.370 nan 0.000 0.515 177 L N -0.268 120.697 121.223 -0.431 0.000 2.645 177 L HA 0.075 4.415 4.340 0.001 0.000 0.235 177 L C 1.090 177.620 176.870 -0.566 0.000 1.150 177 L CA 0.761 55.143 54.840 -0.764 0.000 0.911 177 L CB -1.038 40.028 42.059 -1.654 0.000 1.077 177 L HN 0.517 nan 8.230 nan 0.000 0.438 178 E N -0.395 119.632 120.200 -0.288 0.000 2.474 178 E HA 0.143 4.494 4.350 0.001 0.000 0.195 178 E C 1.315 177.823 176.600 -0.153 0.000 1.039 178 E CA 0.444 56.762 56.400 -0.136 0.000 0.881 178 E CB 0.480 30.138 29.700 -0.070 0.000 0.970 178 E HN 0.490 nan 8.360 nan 0.000 0.486 179 G N 2.294 110.953 108.800 -0.236 0.000 2.157 179 G HA2 -0.268 3.693 3.960 0.001 0.000 0.248 179 G HA3 -0.268 3.693 3.960 0.001 0.000 0.248 179 G C 0.122 174.852 174.900 -0.284 0.000 0.979 179 G CA -0.102 44.854 45.100 -0.240 0.000 0.650 179 G HN 0.086 nan 8.290 nan 0.000 0.529 180 K N 0.247 120.468 120.400 -0.297 0.000 2.248 180 K HA 0.441 4.762 4.320 0.001 0.000 0.281 180 K C 0.058 176.435 176.600 -0.371 0.000 1.054 180 K CA -0.702 55.433 56.287 -0.253 0.000 0.903 180 K CB 0.786 33.157 32.500 -0.215 0.000 1.077 180 K HN 0.098 nan 8.250 nan 0.000 0.474 181 F N 2.032 121.807 119.950 -0.291 0.000 2.602 181 F HA -0.091 4.436 4.527 0.001 0.000 0.367 181 F C 0.577 176.239 175.800 -0.231 0.000 1.126 181 F CA 0.476 58.343 58.000 -0.222 0.000 1.321 181 F CB 0.183 39.129 39.000 -0.090 0.000 1.094 181 F HN 0.380 nan 8.300 nan 0.000 0.594 182 Y N 2.365 122.774 120.300 0.182 0.000 2.365 182 Y HA 0.465 5.015 4.550 0.001 0.000 0.340 182 Y C 0.775 176.792 175.900 0.194 0.000 1.016 182 Y CA 0.158 58.347 58.100 0.149 0.000 1.196 182 Y CB 0.547 39.196 38.460 0.316 0.000 1.167 182 Y HN 0.843 nan 8.280 nan 0.000 0.509 183 G N 4.401 113.055 108.800 -0.244 0.000 2.710 183 G HA2 -0.146 3.815 3.960 0.001 0.000 0.668 183 G HA3 -0.146 3.815 3.960 0.001 0.000 0.668 183 G C -2.840 171.773 174.900 -0.479 0.000 1.320 183 G CA -1.188 43.682 45.100 -0.383 0.000 0.860 183 G HN 0.494 nan 8.290 nan 0.000 0.538 184 P HA 0.462 nan 4.420 nan 0.000 0.220 184 P C -0.840 176.021 177.300 -0.732 0.000 1.806 184 P CA 0.105 62.839 63.100 -0.610 0.000 0.976 184 P CB -0.712 30.702 31.700 -0.477 0.000 1.952 185 F N 0.397 120.209 119.950 -0.230 0.000 2.561 185 F HA 0.513 5.040 4.527 0.001 0.000 0.321 185 F C 0.582 175.833 175.800 -0.915 0.000 1.065 185 F CA -1.379 56.343 58.000 -0.463 0.000 0.934 185 F CB 1.918 40.679 39.000 -0.398 0.000 1.215 185 F HN -0.124 nan 8.300 nan 0.000 0.471 186 V N -1.489 118.083 119.914 -0.570 0.000 2.914 186 V HA 0.605 4.726 4.120 0.001 0.000 0.314 186 V C -0.998 174.848 176.094 -0.414 0.000 1.084 186 V CA -1.053 60.939 62.300 -0.513 0.000 0.963 186 V CB 1.965 33.679 31.823 -0.181 0.000 1.025 186 V HN 0.721 nan 8.190 nan 0.000 0.432 187 D N 3.010 123.324 120.400 -0.143 0.000 2.741 187 D HA 0.330 4.971 4.640 0.001 0.000 0.233 187 D C 0.300 176.708 176.300 0.180 0.000 1.160 187 D CA -0.258 53.822 54.000 0.133 0.000 1.003 187 D CB -0.221 40.809 40.800 0.384 0.000 1.064 187 D HN 0.838 nan 8.370 nan 0.000 0.503 188 R N -0.241 120.296 120.500 0.063 0.000 2.752 188 R HA 0.391 4.732 4.340 0.001 0.000 0.271 188 R C -1.008 175.291 176.300 -0.002 0.000 1.026 188 R CA -1.032 55.098 56.100 0.050 0.000 0.901 188 R CB 0.333 30.663 30.300 0.050 0.000 1.243 188 R HN 0.082 nan 8.270 nan 0.000 0.463 189 Q N 0.892 120.686 119.800 -0.010 0.000 2.452 189 Q HA 0.252 4.593 4.340 0.001 0.000 0.230 189 Q C -0.390 175.604 176.000 -0.010 0.000 1.180 189 Q CA -0.338 55.455 55.803 -0.016 0.000 0.914 189 Q CB 0.825 29.552 28.738 -0.019 0.000 1.408 189 Q HN 0.687 nan 8.270 nan 0.000 0.520 190 T N -1.993 112.557 114.554 -0.007 0.000 2.804 190 T HA 0.689 5.040 4.350 0.001 0.000 0.272 190 T C 0.686 175.389 174.700 0.005 0.000 0.986 190 T CA -0.555 61.544 62.100 -0.002 0.000 0.999 190 T CB 1.224 70.091 68.868 -0.002 0.000 1.307 190 T HN 0.444 nan 8.240 nan 0.000 0.586 191 A N 0.175 123.001 122.820 0.010 0.000 2.276 191 A HA 0.193 4.514 4.320 0.001 0.000 0.212 191 A C 1.161 178.764 177.584 0.032 0.000 1.230 191 A CA -0.303 51.743 52.037 0.016 0.000 0.844 191 A CB -1.200 17.807 19.000 0.012 0.000 0.860 191 A HN 0.822 nan 8.150 nan 0.000 0.486 192 Q N -0.383 119.445 119.800 0.046 0.000 2.349 192 Q HA 0.442 4.783 4.340 0.001 0.000 0.287 192 Q C -0.190 175.890 176.000 0.133 0.000 1.044 192 Q CA 0.497 56.361 55.803 0.101 0.000 0.918 192 Q CB 0.416 29.245 28.738 0.151 0.000 1.242 192 Q HN 0.377 nan 8.270 nan 0.000 0.405 193 A N 1.672 124.610 122.820 0.197 0.000 2.475 193 A HA 0.714 5.035 4.320 0.001 0.000 0.301 193 A C -0.788 176.989 177.584 0.322 0.000 1.059 193 A CA -0.489 51.657 52.037 0.182 0.000 0.710 193 A CB 1.612 20.673 19.000 0.101 0.000 1.288 193 A HN 1.017 nan 8.150 nan 0.000 0.408 194 A N 0.955 123.929 122.820 0.256 0.000 2.546 194 A HA 0.485 4.806 4.320 0.001 0.000 0.243 194 A C 1.005 178.714 177.584 0.208 0.000 1.063 194 A CA 0.689 52.908 52.037 0.304 0.000 0.757 194 A CB -0.483 18.615 19.000 0.162 0.000 0.991 194 A HN 1.915 nan 8.150 nan 0.000 0.503 195 G N 1.276 110.199 108.800 0.206 0.000 2.553 195 G HA2 0.459 4.419 3.960 0.001 0.000 0.278 195 G HA3 0.459 4.419 3.960 0.001 0.000 0.278 195 G C 0.501 175.454 174.900 0.089 0.000 1.349 195 G CA 0.254 45.419 45.100 0.109 0.000 1.037 195 G HN 1.223 nan 8.290 nan 0.000 0.508 196 T N -1.772 112.818 114.554 0.059 0.000 2.918 196 T HA 0.410 4.761 4.350 0.001 0.000 0.302 196 T C -0.556 174.171 174.700 0.044 0.000 1.045 196 T CA -0.304 61.822 62.100 0.045 0.000 1.114 196 T CB 1.644 70.532 68.868 0.033 0.000 0.965 196 T HN 0.449 nan 8.240 nan 0.000 0.540 197 D N 0.020 120.438 120.400 0.031 0.000 2.477 197 D HA 0.644 5.284 4.640 0.001 0.000 0.234 197 D C -0.480 175.819 176.300 -0.002 0.000 1.048 197 D CA -0.381 53.628 54.000 0.016 0.000 0.959 197 D CB 2.170 42.978 40.800 0.014 0.000 1.408 197 D HN 0.858 nan 8.370 nan 0.000 0.496 198 T N -1.815 112.724 114.554 -0.025 0.000 2.907 198 T HA 0.583 4.933 4.350 0.001 0.000 0.290 198 T C -0.223 174.403 174.700 -0.124 0.000 1.066 198 T CA -0.820 61.252 62.100 -0.047 0.000 1.012 198 T CB 1.161 70.018 68.868 -0.018 0.000 1.184 198 T HN 0.205 nan 8.240 nan 0.000 0.522 199 T N 1.729 116.141 114.554 -0.238 0.000 2.884 199 T HA 0.339 4.690 4.350 0.001 0.000 0.298 199 T C 0.501 174.978 174.700 -0.372 0.000 0.998 199 T CA -0.329 61.510 62.100 -0.435 0.000 1.124 199 T CB -0.158 68.144 68.868 -0.943 0.000 0.931 199 T HN 0.487 nan 8.240 nan 0.000 0.531 200 I N 4.062 124.472 120.570 -0.266 0.000 2.349 200 I HA 0.034 4.205 4.170 0.001 0.000 0.302 200 I C 1.789 177.839 176.117 -0.112 0.000 1.180 200 I CA -0.211 60.996 61.300 -0.155 0.000 1.405 200 I CB -0.243 37.688 38.000 -0.115 0.000 1.474 200 I HN 0.733 nan 8.210 nan 0.000 0.632 201 T N 4.523 119.060 114.554 -0.027 0.000 2.635 201 T HA -0.243 4.107 4.350 0.001 0.000 0.267 201 T C 1.866 176.648 174.700 0.136 0.000 1.040 201 T CA 1.558 63.775 62.100 0.196 0.000 1.156 201 T CB -0.144 68.939 68.868 0.358 0.000 0.863 201 T HN 0.535 nan 8.240 nan 0.000 0.430 202 L N 1.937 123.181 121.223 0.034 0.000 2.043 202 L HA -0.142 4.199 4.340 0.001 0.000 0.212 202 L C 1.901 178.812 176.870 0.068 0.000 1.075 202 L CA 1.830 56.675 54.840 0.008 0.000 0.752 202 L CB -0.893 41.072 42.059 -0.158 0.000 0.891 202 L HN 0.115 nan 8.230 nan 0.000 0.432 203 N N -0.723 118.010 118.700 0.054 0.000 2.142 203 N HA -0.130 4.610 4.740 0.001 0.000 0.186 203 N C 1.887 177.501 175.510 0.174 0.000 1.023 203 N CA 1.648 54.764 53.050 0.111 0.000 0.852 203 N CB -0.610 37.908 38.487 0.052 0.000 0.998 203 N HN 0.282 nan 8.380 nan 0.000 0.424 204 V N 1.422 121.415 119.914 0.132 0.000 2.332 204 V HA -0.192 3.929 4.120 0.001 0.000 0.248 204 V C 2.296 178.537 176.094 0.245 0.000 1.055 204 V CA 1.287 63.704 62.300 0.195 0.000 1.038 204 V CB -0.598 31.358 31.823 0.222 0.000 0.651 204 V HN 0.244 nan 8.190 nan 0.000 0.450 205 L N 0.056 121.387 121.223 0.180 0.000 2.046 205 L HA -0.150 4.191 4.340 0.001 0.000 0.208 205 L C 2.740 179.742 176.870 0.220 0.000 1.077 205 L CA 1.500 56.419 54.840 0.132 0.000 0.747 205 L CB -0.810 41.314 42.059 0.110 0.000 0.896 205 L HN 0.353 nan 8.230 nan 0.000 0.432 206 A N -0.604 122.366 122.820 0.251 0.000 1.940 206 A HA -0.290 4.031 4.320 0.001 0.000 0.219 206 A C 2.031 179.738 177.584 0.204 0.000 1.176 206 A CA 1.854 54.045 52.037 0.257 0.000 0.631 206 A CB -1.036 18.099 19.000 0.224 0.000 0.814 206 A HN 0.674 nan 8.150 nan 0.000 0.446 207 W N 0.453 121.742 121.300 -0.019 0.000 2.476 207 W HA 0.004 4.665 4.660 0.002 0.000 0.281 207 W C 1.604 177.972 176.519 -0.251 0.000 1.230 207 W CA 1.308 58.553 57.345 -0.168 0.000 1.287 207 W CB -0.154 29.275 29.460 -0.052 0.000 1.108 207 W HN 0.230 nan 8.180 nan 0.000 0.567 208 L N -0.385 120.727 121.223 -0.185 0.000 2.079 208 L HA -0.267 4.074 4.340 0.001 0.000 0.210 208 L C 2.243 178.909 176.870 -0.341 0.000 1.081 208 L CA 1.478 56.024 54.840 -0.490 0.000 0.752 208 L CB -1.225 40.542 42.059 -0.487 0.000 0.896 208 L HN 0.031 nan 8.230 nan 0.000 0.433 209 Y N -0.080 120.118 120.300 -0.169 0.000 2.181 209 Y HA -0.270 4.281 4.550 0.001 0.000 0.288 209 Y C 2.692 178.434 175.900 -0.263 0.000 1.146 209 Y CA 1.065 59.074 58.100 -0.153 0.000 1.164 209 Y CB -0.370 38.029 38.460 -0.101 0.000 0.982 209 Y HN 0.153 nan 8.280 nan 0.000 0.515 210 A N 0.137 122.790 122.820 -0.279 0.000 1.908 210 A HA -0.226 4.094 4.320 0.001 0.000 0.218 210 A C 2.405 179.632 177.584 -0.595 0.000 1.181 210 A CA 1.930 53.602 52.037 -0.609 0.000 0.627 210 A CB -1.270 16.957 19.000 -1.288 0.000 0.818 210 A HN 0.439 nan 8.150 nan 0.000 0.445 211 A N -0.627 121.817 122.820 -0.626 0.000 1.902 211 A HA 0.001 4.322 4.320 0.001 0.000 0.217 211 A C 2.235 179.695 177.584 -0.208 0.000 1.181 211 A CA 1.801 53.569 52.037 -0.448 0.000 0.623 211 A CB -0.965 17.742 19.000 -0.487 0.000 0.818 211 A HN 0.416 nan 8.150 nan 0.000 0.443 212 V N 0.250 120.079 119.914 -0.141 0.000 2.343 212 V HA -0.280 3.841 4.120 0.001 0.000 0.247 212 V C 2.401 178.426 176.094 -0.115 0.000 1.051 212 V CA 2.080 64.295 62.300 -0.141 0.000 1.036 212 V CB -0.714 31.030 31.823 -0.132 0.000 0.654 212 V HN 0.578 nan 8.190 nan 0.000 0.451 213 I N 0.527 121.032 120.570 -0.108 0.000 2.361 213 I HA -0.204 3.967 4.170 0.001 0.000 0.251 213 I C 1.578 177.641 176.117 -0.091 0.000 1.133 213 I CA 1.462 62.711 61.300 -0.085 0.000 1.413 213 I CB -0.389 37.562 38.000 -0.082 0.000 1.073 213 I HN 0.346 nan 8.210 nan 0.000 0.424 214 N N 0.574 119.195 118.700 -0.132 0.000 2.370 214 N HA 0.141 4.881 4.740 0.001 0.000 0.198 214 N C 0.880 176.345 175.510 -0.074 0.000 1.156 214 N CA 0.784 53.777 53.050 -0.095 0.000 0.839 214 N CB 0.786 39.205 38.487 -0.113 0.000 0.989 214 N HN 0.382 nan 8.380 nan 0.000 0.468 215 G N -0.239 108.511 108.800 -0.082 0.000 2.144 215 G HA2 -0.227 3.734 3.960 0.001 0.000 0.218 215 G HA3 -0.227 3.734 3.960 0.001 0.000 0.218 215 G C -0.549 174.308 174.900 -0.072 0.000 0.988 215 G CA -0.263 44.796 45.100 -0.068 0.000 0.659 215 G HN 0.374 nan 8.290 nan 0.000 0.522 216 D N -0.431 119.913 120.400 -0.094 0.000 2.308 216 D HA 0.672 5.313 4.640 0.001 0.000 0.242 216 D C 1.162 177.286 176.300 -0.293 0.000 1.059 216 D CA -0.677 53.271 54.000 -0.087 0.000 0.830 216 D CB 0.752 41.569 40.800 0.028 0.000 1.161 216 D HN 0.192 nan 8.370 nan 0.000 0.494 217 R N 2.771 123.049 120.500 -0.371 0.000 2.531 217 R HA 0.102 4.443 4.340 0.001 0.000 0.316 217 R C 1.549 177.419 176.300 -0.716 0.000 0.955 217 R CA -0.315 55.400 56.100 -0.642 0.000 1.120 217 R CB 0.398 30.494 30.300 -0.340 0.000 1.361 217 R HN 0.618 nan 8.270 nan 0.000 0.534 218 W N 1.282 122.289 121.300 -0.488 0.000 2.364 218 W HA -0.198 4.462 4.660 0.001 0.000 0.281 218 W C 0.482 176.862 176.519 -0.231 0.000 1.219 218 W CA 0.802 57.990 57.345 -0.262 0.000 1.220 218 W CB -0.605 28.805 29.460 -0.083 0.000 1.127 218 W HN 0.017 nan 8.180 nan 0.000 0.556 219 F N 0.288 119.745 119.950 -0.822 0.000 2.765 219 F HA 0.431 4.958 4.527 0.001 0.000 0.302 219 F C 1.018 176.582 175.800 -0.393 0.000 1.111 219 F CA -1.149 56.295 58.000 -0.927 0.000 1.359 219 F CB -1.422 36.718 39.000 -1.433 0.000 1.097 219 F HN -0.347 nan 8.300 nan 0.000 0.577 220 L N 2.361 123.256 121.223 -0.546 0.000 2.476 220 L HA 0.162 4.503 4.340 0.001 0.000 0.264 220 L C -0.067 176.728 176.870 -0.125 0.000 1.224 220 L CA -0.311 54.360 54.840 -0.281 0.000 0.821 220 L CB 0.314 42.162 42.059 -0.351 0.000 1.101 220 L HN 0.404 nan 8.230 nan 0.000 0.488 221 N N -0.346 118.304 118.700 -0.084 0.000 2.972 221 N HA 0.261 5.002 4.740 0.001 0.000 0.262 221 N C -0.344 175.051 175.510 -0.192 0.000 1.478 221 N CA -1.130 51.870 53.050 -0.083 0.000 0.841 221 N CB 0.817 39.353 38.487 0.081 0.000 1.512 221 N HN 0.480 nan 8.380 nan 0.000 0.548 222 R N -0.939 119.292 120.500 -0.449 0.000 2.310 222 R HA 0.329 4.670 4.340 0.001 0.000 0.202 222 R C -0.595 175.396 176.300 -0.514 0.000 0.933 222 R CA -0.054 55.743 56.100 -0.504 0.000 1.054 222 R CB -0.492 29.469 30.300 -0.564 0.000 0.985 222 R HN 0.260 nan 8.270 nan 0.000 0.489 223 F N 0.207 120.153 119.950 -0.007 0.000 2.380 223 F HA 0.452 4.980 4.527 0.001 0.000 0.321 223 F C 1.006 176.808 175.800 0.003 0.000 1.103 223 F CA -0.715 57.286 58.000 0.002 0.000 1.067 223 F CB 1.378 40.384 39.000 0.010 0.000 1.265 223 F HN -0.208 nan 8.300 nan 0.000 0.517 224 T N -1.084 113.606 114.554 0.227 0.000 2.807 224 T HA 0.662 5.012 4.350 0.001 0.000 0.277 224 T C -0.964 173.814 174.700 0.129 0.000 1.006 224 T CA -0.325 61.854 62.100 0.133 0.000 1.006 224 T CB 1.725 70.642 68.868 0.081 0.000 1.274 224 T HN 0.783 nan 8.240 nan 0.000 0.569 225 T N 0.328 114.941 114.554 0.097 0.000 2.853 225 T HA 0.603 4.953 4.350 0.001 0.000 0.311 225 T C -0.569 174.183 174.700 0.087 0.000 1.307 225 T CA -0.286 61.873 62.100 0.099 0.000 1.019 225 T CB 1.203 70.155 68.868 0.140 0.000 1.264 225 T HN 0.971 nan 8.240 nan 0.000 0.497 226 T N 1.875 116.480 114.554 0.085 0.000 2.874 226 T HA 0.402 4.752 4.350 0.001 0.000 0.281 226 T C 1.491 176.260 174.700 0.115 0.000 0.994 226 T CA -0.713 61.434 62.100 0.079 0.000 1.015 226 T CB 0.836 69.743 68.868 0.064 0.000 1.028 226 T HN 0.457 nan 8.240 nan 0.000 0.523 227 L N 1.618 122.901 121.223 0.100 0.000 2.043 227 L HA -0.091 4.250 4.340 0.001 0.000 0.212 227 L C 2.361 179.335 176.870 0.174 0.000 1.075 227 L CA 2.126 57.048 54.840 0.136 0.000 0.752 227 L CB -1.549 40.563 42.059 0.089 0.000 0.891 227 L HN 0.926 nan 8.230 nan 0.000 0.432 228 N N -0.784 117.983 118.700 0.112 0.000 2.069 228 N HA -0.219 4.522 4.740 0.001 0.000 0.191 228 N C 1.575 177.136 175.510 0.084 0.000 1.031 228 N CA 1.837 54.940 53.050 0.089 0.000 0.852 228 N CB -0.145 38.376 38.487 0.057 0.000 1.018 228 N HN 0.397 nan 8.380 nan 0.000 0.423 229 D N -0.749 119.702 120.400 0.086 0.000 2.178 229 D HA -0.130 4.511 4.640 0.001 0.000 0.202 229 D C 1.558 177.895 176.300 0.063 0.000 0.974 229 D CA 0.465 54.500 54.000 0.058 0.000 0.841 229 D CB -0.369 40.462 40.800 0.051 0.000 0.953 229 D HN 0.314 nan 8.370 nan 0.000 0.478 230 F N 2.334 122.292 119.950 0.013 0.000 2.069 230 F HA -0.208 4.320 4.527 0.001 0.000 0.298 230 F C 1.942 177.754 175.800 0.021 0.000 1.113 230 F CA 1.339 59.345 58.000 0.010 0.000 1.214 230 F CB -0.344 38.670 39.000 0.023 0.000 0.978 230 F HN -0.152 nan 8.300 nan 0.000 0.474 231 N N 0.926 119.614 118.700 -0.020 0.000 2.104 231 N HA -0.186 4.554 4.740 0.001 0.000 0.190 231 N C 2.105 177.536 175.510 -0.133 0.000 1.024 231 N CA 1.655 54.658 53.050 -0.079 0.000 0.853 231 N CB -0.671 37.877 38.487 0.102 0.000 1.008 231 N HN 0.377 nan 8.380 nan 0.000 0.424 232 L N 0.414 121.589 121.223 -0.079 0.000 2.127 232 L HA -0.157 4.183 4.340 0.001 0.000 0.211 232 L C 2.140 178.955 176.870 -0.091 0.000 1.089 232 L CA 0.788 55.590 54.840 -0.062 0.000 0.757 232 L CB -0.218 41.821 42.059 -0.032 0.000 0.899 232 L HN 0.001 nan 8.230 nan 0.000 0.434 233 V N -0.620 119.196 119.914 -0.163 0.000 2.300 233 V HA -0.135 3.986 4.120 0.001 0.000 0.241 233 V C 2.620 178.633 176.094 -0.136 0.000 1.034 233 V CA 1.578 63.797 62.300 -0.136 0.000 1.021 233 V CB -0.710 31.005 31.823 -0.179 0.000 0.662 233 V HN 0.424 nan 8.190 nan 0.000 0.458 234 A N -0.386 122.166 122.820 -0.447 0.000 1.972 234 A HA -0.203 4.117 4.320 0.001 0.000 0.219 234 A C 2.186 179.738 177.584 -0.053 0.000 1.169 234 A CA 1.996 53.776 52.037 -0.429 0.000 0.635 234 A CB -0.578 17.887 19.000 -0.892 0.000 0.810 234 A HN 0.515 nan 8.150 nan 0.000 0.446 235 M N -0.836 118.733 119.600 -0.052 0.000 2.446 235 M HA -0.081 4.400 4.480 0.001 0.000 0.263 235 M C 1.947 178.260 176.300 0.023 0.000 1.066 235 M CA 0.977 56.297 55.300 0.033 0.000 1.087 235 M CB -0.107 32.503 32.600 0.016 0.000 1.406 235 M HN 0.185 nan 8.290 nan 0.000 0.459 236 K N -0.057 120.340 120.400 -0.005 0.000 2.366 236 K HA -0.070 4.251 4.320 0.001 0.000 0.198 236 K C 0.256 176.711 176.600 -0.241 0.000 1.044 236 K CA 1.096 57.309 56.287 -0.123 0.000 0.973 236 K CB 0.161 32.553 32.500 -0.180 0.000 0.767 236 K HN 0.392 nan 8.250 nan 0.000 0.475 237 Y N 0.471 120.764 120.300 -0.012 0.000 2.658 237 Y HA 0.115 4.666 4.550 0.001 0.000 0.276 237 Y C 0.364 176.382 175.900 0.197 0.000 1.167 237 Y CA -0.430 57.703 58.100 0.055 0.000 1.230 237 Y CB 0.085 38.524 38.460 -0.034 0.000 1.144 237 Y HN 0.119 nan 8.280 nan 0.000 0.529 238 N N -0.335 118.494 118.700 0.215 0.000 2.747 238 N HA -0.274 4.466 4.740 0.001 0.000 0.249 238 N C -1.267 174.375 175.510 0.220 0.000 1.107 238 N CA 0.397 53.550 53.050 0.171 0.000 0.707 238 N CB -1.670 36.881 38.487 0.106 0.000 1.054 238 N HN 0.285 nan 8.380 nan 0.000 0.555 239 Y N 0.694 121.035 120.300 0.069 0.000 2.310 239 Y HA 0.368 4.918 4.550 0.001 0.000 0.326 239 Y C 1.021 176.966 175.900 0.076 0.000 1.151 239 Y CA -0.775 57.370 58.100 0.074 0.000 1.195 239 Y CB 0.853 39.363 38.460 0.084 0.000 1.210 239 Y HN 0.118 nan 8.280 nan 0.000 0.483 240 E N 4.740 125.019 120.200 0.133 0.000 2.452 240 E HA 0.106 4.457 4.350 0.001 0.000 0.261 240 E C -2.604 174.129 176.600 0.222 0.000 0.987 240 E CA -1.536 54.946 56.400 0.136 0.000 0.926 240 E CB 0.335 30.086 29.700 0.085 0.000 0.934 240 E HN 0.215 nan 8.360 nan 0.000 0.452 241 P HA -0.047 nan 4.420 nan 0.000 0.264 241 P C -1.064 176.409 177.300 0.288 0.000 1.183 241 P CA 0.016 63.241 63.100 0.209 0.000 0.763 241 P CB 0.406 32.190 31.700 0.140 0.000 0.807 242 L N 4.450 125.873 121.223 0.335 0.000 2.289 242 L HA 0.493 4.833 4.340 0.001 0.000 0.285 242 L C 0.385 177.356 176.870 0.169 0.000 1.049 242 L CA 0.266 55.326 54.840 0.366 0.000 0.804 242 L CB 0.883 43.164 42.059 0.369 0.000 1.195 242 L HN 0.429 nan 8.230 nan 0.000 0.428 243 T N 0.530 115.056 114.554 -0.046 0.000 2.938 243 T HA 0.299 4.650 4.350 0.001 0.000 0.285 243 T C 0.611 175.248 174.700 -0.105 0.000 1.028 243 T CA -0.430 61.563 62.100 -0.178 0.000 1.005 243 T CB 1.316 69.953 68.868 -0.386 0.000 1.157 243 T HN 0.536 nan 8.240 nan 0.000 0.550 244 Q N 0.371 120.131 119.800 -0.067 0.000 2.084 244 Q HA -0.125 4.216 4.340 0.001 0.000 0.202 244 Q C 1.536 177.525 176.000 -0.019 0.000 0.978 244 Q CA 2.107 57.898 55.803 -0.021 0.000 0.844 244 Q CB -0.923 27.809 28.738 -0.010 0.000 0.898 244 Q HN 0.780 nan 8.270 nan 0.000 0.426 245 D N -0.824 119.535 120.400 -0.068 0.000 2.133 245 D HA -0.177 4.463 4.640 0.001 0.000 0.195 245 D C 1.691 178.052 176.300 0.102 0.000 0.997 245 D CA 1.434 55.427 54.000 -0.011 0.000 0.840 245 D CB -0.258 40.521 40.800 -0.035 0.000 0.947 245 D HN 0.444 nan 8.370 nan 0.000 0.452 246 H N -0.166 118.930 119.070 0.044 0.000 2.326 246 H HA -0.008 4.548 4.556 0.001 0.000 0.301 246 H C 2.452 177.801 175.328 0.034 0.000 1.081 246 H CA 0.478 56.554 56.048 0.047 0.000 1.334 246 H CB -0.768 29.029 29.762 0.058 0.000 1.385 246 H HN 0.017 nan 8.280 nan 0.000 0.504 247 V N 1.443 121.444 119.914 0.145 0.000 2.324 247 V HA -0.258 3.863 4.120 0.001 0.000 0.250 247 V C 1.993 178.119 176.094 0.053 0.000 1.060 247 V CA 2.183 64.526 62.300 0.073 0.000 1.042 247 V CB -0.370 31.477 31.823 0.040 0.000 0.650 247 V HN 0.358 nan 8.190 nan 0.000 0.450 248 D N -0.250 120.182 120.400 0.054 0.000 2.144 248 D HA -0.104 4.537 4.640 0.001 0.000 0.199 248 D C 2.028 178.351 176.300 0.039 0.000 0.984 248 D CA 1.197 55.219 54.000 0.038 0.000 0.834 248 D CB -0.234 40.589 40.800 0.038 0.000 0.955 248 D HN 0.415 nan 8.370 nan 0.000 0.465 249 I N 0.455 121.065 120.570 0.066 0.000 2.286 249 I HA -0.216 3.955 4.170 0.001 0.000 0.248 249 I C 1.955 178.085 176.117 0.023 0.000 1.115 249 I CA 0.641 61.979 61.300 0.063 0.000 1.392 249 I CB -0.055 38.003 38.000 0.098 0.000 1.065 249 I HN -0.033 nan 8.210 nan 0.000 0.418 250 L N 0.544 121.772 121.223 0.008 0.000 2.622 250 L HA -0.036 4.305 4.340 0.001 0.000 0.233 250 L C 2.390 179.164 176.870 -0.160 0.000 1.156 250 L CA 0.348 55.142 54.840 -0.075 0.000 0.866 250 L CB -0.933 41.118 42.059 -0.013 0.000 0.980 250 L HN 0.295 nan 8.230 nan 0.000 0.448 251 G N 1.441 110.192 108.800 -0.082 0.000 2.545 251 G HA2 -0.229 3.731 3.960 0.001 0.000 0.217 251 G HA3 -0.229 3.731 3.960 0.001 0.000 0.217 251 G C -0.571 174.261 174.900 -0.113 0.000 1.218 251 G CA 0.735 45.787 45.100 -0.079 0.000 0.787 251 G HN 0.316 nan 8.290 nan 0.000 0.571 252 P HA -0.095 nan 4.420 nan 0.000 0.215 252 P C 2.092 179.287 177.300 -0.174 0.000 1.157 252 P CA 0.880 63.921 63.100 -0.100 0.000 0.874 252 P CB -0.191 31.471 31.700 -0.062 0.000 0.790 253 L N -1.195 119.856 121.223 -0.285 0.000 2.083 253 L HA -0.172 4.169 4.340 0.001 0.000 0.209 253 L C 2.617 179.114 176.870 -0.622 0.000 1.083 253 L CA 1.699 56.252 54.840 -0.477 0.000 0.752 253 L CB -1.018 40.634 42.059 -0.677 0.000 0.899 253 L HN 0.078 nan 8.230 nan 0.000 0.433 254 S N -0.371 114.977 115.700 -0.586 0.000 2.368 254 S HA -0.129 4.342 4.470 0.001 0.000 0.224 254 S C 2.129 176.668 174.600 -0.102 0.000 1.029 254 S CA 1.125 59.153 58.200 -0.287 0.000 0.988 254 S CB -0.040 63.080 63.200 -0.134 0.000 0.838 254 S HN 0.417 nan 8.310 nan 0.000 0.462 255 A N 1.092 123.847 122.820 -0.109 0.000 1.898 255 A HA -0.114 4.207 4.320 0.001 0.000 0.216 255 A C 2.166 179.720 177.584 -0.049 0.000 1.181 255 A CA 1.747 53.750 52.037 -0.057 0.000 0.620 255 A CB -1.050 17.919 19.000 -0.050 0.000 0.819 255 A HN 0.748 nan 8.150 nan 0.000 0.442 256 Q N -0.044 119.713 119.800 -0.071 0.000 2.181 256 Q HA -0.186 4.155 4.340 0.001 0.000 0.205 256 Q C 1.753 177.738 176.000 -0.024 0.000 0.980 256 Q CA 2.405 58.178 55.803 -0.051 0.000 0.862 256 Q CB -0.276 28.424 28.738 -0.064 0.000 0.905 256 Q HN 0.709 nan 8.270 nan 0.000 0.429 257 T N -4.901 109.653 114.554 0.001 0.000 3.014 257 T HA 0.327 4.678 4.350 0.001 0.000 0.250 257 T C 1.298 176.016 174.700 0.030 0.000 1.060 257 T CA 0.365 62.489 62.100 0.041 0.000 1.040 257 T CB 0.544 69.502 68.868 0.151 0.000 0.971 257 T HN 0.508 nan 8.240 nan 0.000 0.497 258 G N 1.667 110.483 108.800 0.027 0.000 2.155 258 G HA2 -0.220 3.740 3.960 0.001 0.000 0.257 258 G HA3 -0.220 3.740 3.960 0.001 0.000 0.257 258 G C -0.046 174.877 174.900 0.037 0.000 0.983 258 G CA 0.199 45.310 45.100 0.019 0.000 0.676 258 G HN 0.659 nan 8.290 nan 0.000 0.528 259 I N 1.393 122.023 120.570 0.101 0.000 2.330 259 I HA 0.594 4.765 4.170 0.001 0.000 0.289 259 I C 0.921 177.134 176.117 0.160 0.000 1.001 259 I CA -0.527 60.832 61.300 0.099 0.000 1.193 259 I CB 1.613 39.649 38.000 0.060 0.000 1.345 259 I HN 0.276 nan 8.210 nan 0.000 0.461 260 A N 5.555 128.426 122.820 0.085 0.000 2.498 260 A HA 0.205 4.526 4.320 0.001 0.000 0.239 260 A C 1.377 179.033 177.584 0.121 0.000 1.068 260 A CA -0.298 51.788 52.037 0.081 0.000 0.766 260 A CB 0.445 19.469 19.000 0.041 0.000 1.003 260 A HN 0.656 nan 8.150 nan 0.000 0.497 261 V N 2.800 122.790 119.914 0.126 0.000 2.282 261 V HA -0.294 3.827 4.120 0.001 0.000 0.249 261 V C 2.357 178.469 176.094 0.031 0.000 1.057 261 V CA 2.448 64.830 62.300 0.136 0.000 1.032 261 V CB -0.987 30.883 31.823 0.078 0.000 0.645 261 V HN 0.809 nan 8.190 nan 0.000 0.447 262 L N -0.306 120.924 121.223 0.012 0.000 2.275 262 L HA -0.134 4.207 4.340 0.001 0.000 0.215 262 L C 2.225 179.095 176.870 -0.001 0.000 1.119 262 L CA 1.052 55.884 54.840 -0.014 0.000 0.790 262 L CB -0.689 41.378 42.059 0.013 0.000 0.919 262 L HN 0.350 nan 8.230 nan 0.000 0.443 263 D N -0.197 120.210 120.400 0.012 0.000 2.117 263 D HA -0.198 4.443 4.640 0.001 0.000 0.198 263 D C 2.068 178.351 176.300 -0.029 0.000 0.982 263 D CA 1.117 55.121 54.000 0.007 0.000 0.828 263 D CB -0.036 40.764 40.800 -0.001 0.000 0.967 263 D HN 0.141 nan 8.370 nan 0.000 0.464 264 M N 0.304 119.861 119.600 -0.070 0.000 2.159 264 M HA -0.119 4.362 4.480 0.001 0.000 0.263 264 M C 1.962 178.187 176.300 -0.126 0.000 1.063 264 M CA 1.191 56.397 55.300 -0.158 0.000 1.110 264 M CB -0.467 31.929 32.600 -0.341 0.000 1.374 264 M HN 0.029 nan 8.290 nan 0.000 0.411 265 C N -0.234 118.967 119.300 -0.164 0.000 2.411 265 C HA -0.075 4.386 4.460 0.001 0.000 0.279 265 C C 2.856 177.869 174.990 0.038 0.000 1.288 265 C CA 0.914 59.756 59.018 -0.294 0.000 1.764 265 C CB -1.857 25.543 27.740 -0.565 0.000 1.974 265 C HN 0.707 nan 8.230 nan 0.000 0.498 266 A N 0.450 123.305 122.820 0.059 0.000 1.898 266 A HA 0.142 4.463 4.320 0.001 0.000 0.216 266 A C 2.375 180.025 177.584 0.110 0.000 1.181 266 A CA 1.839 53.952 52.037 0.127 0.000 0.620 266 A CB -0.865 18.224 19.000 0.149 0.000 0.819 266 A HN 0.541 nan 8.150 nan 0.000 0.442 267 A N -0.167 122.691 122.820 0.064 0.000 1.873 267 A HA -0.134 4.186 4.320 0.001 0.000 0.218 267 A C 2.129 179.726 177.584 0.021 0.000 1.193 267 A CA 1.927 53.996 52.037 0.054 0.000 0.629 267 A CB -0.774 18.265 19.000 0.065 0.000 0.826 267 A HN 0.687 nan 8.150 nan 0.000 0.447 268 L N 0.187 121.417 121.223 0.011 0.000 2.012 268 L HA -0.189 4.151 4.340 0.001 0.000 0.210 268 L C 2.339 179.204 176.870 -0.008 0.000 1.073 268 L CA 2.750 57.596 54.840 0.010 0.000 0.748 268 L CB -0.762 41.363 42.059 0.110 0.000 0.891 268 L HN 0.539 nan 8.230 nan 0.000 0.431 269 K N -0.492 119.960 120.400 0.087 0.000 2.044 269 K HA -0.293 4.028 4.320 0.001 0.000 0.210 269 K C 2.156 178.695 176.600 -0.101 0.000 1.049 269 K CA 2.128 58.389 56.287 -0.044 0.000 0.927 269 K CB -0.278 32.250 32.500 0.047 0.000 0.713 269 K HN 0.585 nan 8.250 nan 0.000 0.443 270 E N 0.522 120.707 120.200 -0.024 0.000 2.072 270 E HA -0.178 4.173 4.350 0.001 0.000 0.191 270 E C 2.178 178.761 176.600 -0.029 0.000 0.985 270 E CA 0.909 57.305 56.400 -0.007 0.000 0.801 270 E CB -0.058 29.684 29.700 0.071 0.000 0.750 270 E HN 0.347 nan 8.360 nan 0.000 0.452 271 L N 0.650 121.844 121.223 -0.047 0.000 2.012 271 L HA -0.244 4.096 4.340 0.001 0.000 0.210 271 L C 2.637 179.424 176.870 -0.140 0.000 1.073 271 L CA 1.124 55.932 54.840 -0.052 0.000 0.748 271 L CB -0.462 41.547 42.059 -0.085 0.000 0.891 271 L HN 0.268 nan 8.230 nan 0.000 0.431 272 L N -0.983 120.052 121.223 -0.313 0.000 2.046 272 L HA -0.242 4.099 4.340 0.001 0.000 0.208 272 L C 2.667 179.186 176.870 -0.585 0.000 1.077 272 L CA 1.358 55.809 54.840 -0.647 0.000 0.747 272 L CB -0.500 40.880 42.059 -1.132 0.000 0.896 272 L HN 0.342 nan 8.230 nan 0.000 0.432 273 Q N -0.253 119.347 119.800 -0.332 0.000 2.123 273 Q HA -0.117 4.224 4.340 0.001 0.000 0.199 273 Q C 1.481 177.478 176.000 -0.005 0.000 0.966 273 Q CA 1.441 57.190 55.803 -0.090 0.000 0.845 273 Q CB 0.056 28.764 28.738 -0.051 0.000 0.907 273 Q HN 0.611 nan 8.270 nan 0.000 0.439 274 N N -0.963 117.733 118.700 -0.007 0.000 2.220 274 N HA 0.166 4.906 4.740 0.001 0.000 0.195 274 N C 0.224 175.772 175.510 0.065 0.000 1.123 274 N CA 0.101 53.178 53.050 0.045 0.000 0.874 274 N CB 1.264 39.792 38.487 0.068 0.000 0.995 274 N HN 0.172 nan 8.380 nan 0.000 0.498 275 G N 1.487 110.317 108.800 0.050 0.000 2.750 275 G HA2 -0.316 3.644 3.960 0.001 0.000 0.228 275 G HA3 -0.316 3.644 3.960 0.001 0.000 0.228 275 G C 0.256 175.250 174.900 0.157 0.000 1.367 275 G CA -0.220 44.930 45.100 0.083 0.000 0.871 275 G HN 0.101 nan 8.290 nan 0.000 0.560 276 M N 1.350 121.058 119.600 0.181 0.000 2.492 276 M HA 0.107 4.587 4.480 0.001 0.000 0.255 276 M C 1.516 177.894 176.300 0.130 0.000 1.139 276 M CA 1.006 56.483 55.300 0.295 0.000 1.096 276 M CB -0.219 32.553 32.600 0.286 0.000 1.360 276 M HN 1.139 nan 8.290 nan 0.000 0.480 277 N N 1.248 119.991 118.700 0.071 0.000 2.688 277 N HA -0.198 4.543 4.740 0.001 0.000 0.258 277 N C 0.353 175.831 175.510 -0.053 0.000 1.016 277 N CA 0.937 53.992 53.050 0.008 0.000 0.747 277 N CB -2.057 36.436 38.487 0.010 0.000 0.895 277 N HN 0.616 nan 8.380 nan 0.000 0.543 278 G N -0.752 108.030 108.800 -0.031 0.000 2.162 278 G HA2 -0.375 3.586 3.960 0.001 0.000 0.260 278 G HA3 -0.375 3.586 3.960 0.001 0.000 0.260 278 G C 0.172 175.008 174.900 -0.107 0.000 0.976 278 G CA 0.805 45.873 45.100 -0.052 0.000 0.655 278 G HN 0.853 nan 8.290 nan 0.000 0.533 279 R N 0.183 120.584 120.500 -0.165 0.000 2.674 279 R HA 0.710 5.050 4.340 0.001 0.000 0.266 279 R C 0.626 176.918 176.300 -0.013 0.000 1.016 279 R CA 0.295 56.220 56.100 -0.291 0.000 1.062 279 R CB 0.988 30.721 30.300 -0.946 0.000 1.142 279 R HN 0.325 nan 8.270 nan 0.000 0.517 280 T N -1.190 113.403 114.554 0.065 0.000 2.924 280 T HA 0.626 4.977 4.350 0.001 0.000 0.291 280 T C -0.106 174.867 174.700 0.455 0.000 1.045 280 T CA -0.806 61.440 62.100 0.245 0.000 1.015 280 T CB 1.110 70.073 68.868 0.158 0.000 1.103 280 T HN 0.322 nan 8.240 nan 0.000 0.496 281 I N 2.111 122.919 120.570 0.397 0.000 2.436 281 I HA 0.336 4.507 4.170 0.001 0.000 0.289 281 I C 0.214 176.409 176.117 0.130 0.000 1.010 281 I CA -1.197 60.236 61.300 0.222 0.000 1.098 281 I CB 1.628 39.594 38.000 -0.058 0.000 1.266 281 I HN 0.752 nan 8.210 nan 0.000 0.434 282 L N 6.588 127.807 121.223 -0.006 0.000 3.742 282 L HA -0.320 4.020 4.340 0.001 0.000 0.431 282 L C 1.292 178.275 176.870 0.188 0.000 1.220 282 L CA 0.883 55.737 54.840 0.023 0.000 0.863 282 L CB -1.541 40.438 42.059 -0.134 0.000 1.751 282 L HN 1.183 nan 8.230 nan 0.000 0.922 283 G N -1.346 107.558 108.800 0.173 0.000 2.212 283 G HA2 -0.363 3.597 3.960 0.001 0.000 0.266 283 G HA3 -0.363 3.597 3.960 0.001 0.000 0.266 283 G C 0.319 175.333 174.900 0.190 0.000 0.978 283 G CA 0.608 45.806 45.100 0.163 0.000 0.632 283 G HN 0.740 nan 8.290 nan 0.000 0.537 284 S N -0.111 115.754 115.700 0.275 0.000 2.541 284 S HA 0.595 5.066 4.470 0.001 0.000 0.283 284 S C 1.645 176.383 174.600 0.230 0.000 1.196 284 S CA 0.892 59.244 58.200 0.253 0.000 1.062 284 S CB 1.329 64.720 63.200 0.318 0.000 1.009 284 S HN 1.021 nan 8.310 nan 0.000 0.502 285 T N 1.952 116.597 114.554 0.151 0.000 3.100 285 T HA 0.241 4.591 4.350 0.001 0.000 0.253 285 T C 0.703 175.478 174.700 0.126 0.000 1.118 285 T CA 0.177 62.356 62.100 0.132 0.000 1.058 285 T CB -0.897 68.022 68.868 0.084 0.000 0.953 285 T HN 0.689 nan 8.240 nan 0.000 0.515 286 I N -1.972 118.659 120.570 0.101 0.000 2.934 286 I HA 0.618 4.789 4.170 0.001 0.000 0.306 286 I C -0.968 175.123 176.117 -0.043 0.000 1.110 286 I CA -2.017 59.306 61.300 0.038 0.000 1.019 286 I CB 1.951 39.946 38.000 -0.008 0.000 1.227 286 I HN -0.186 nan 8.210 nan 0.000 0.434 287 L N 2.727 123.900 121.223 -0.084 0.000 2.319 287 L HA 0.346 4.686 4.340 0.001 0.000 0.280 287 L C 0.085 176.615 176.870 -0.567 0.000 1.099 287 L CA -0.040 54.641 54.840 -0.266 0.000 0.828 287 L CB 0.595 42.660 42.059 0.010 0.000 1.150 287 L HN 0.633 nan 8.230 nan 0.000 0.442 288 E N 2.869 122.289 120.200 -1.300 0.000 2.259 288 E HA 0.073 4.424 4.350 0.001 0.000 0.281 288 E C -0.228 176.024 176.600 -0.580 0.000 1.027 288 E CA -0.377 55.424 56.400 -0.997 0.000 0.838 288 E CB 0.969 29.805 29.700 -1.441 0.000 1.066 288 E HN 0.551 nan 8.360 nan 0.000 0.401 289 D N 2.956 123.165 120.400 -0.319 0.000 2.535 289 D HA 0.021 4.661 4.640 0.001 0.000 0.229 289 D C -0.285 175.930 176.300 -0.142 0.000 1.238 289 D CA -0.037 53.855 54.000 -0.180 0.000 0.824 289 D CB 0.077 40.757 40.800 -0.200 0.000 1.045 289 D HN 0.541 nan 8.370 nan 0.000 0.500 290 E N 0.060 120.140 120.200 -0.201 0.000 2.496 290 E HA 0.191 4.542 4.350 0.001 0.000 0.202 290 E C -0.772 175.595 176.600 -0.390 0.000 1.021 290 E CA -0.300 55.927 56.400 -0.289 0.000 1.015 290 E CB 0.275 29.742 29.700 -0.388 0.000 1.102 290 E HN 0.183 nan 8.360 nan 0.000 0.452 291 F N 1.035 120.998 119.950 0.021 0.000 2.477 291 F HA 0.178 4.706 4.527 0.001 0.000 0.335 291 F C 0.976 176.852 175.800 0.127 0.000 1.130 291 F CA -1.072 57.002 58.000 0.123 0.000 0.948 291 F CB 1.505 40.687 39.000 0.302 0.000 1.154 291 F HN -0.194 nan 8.300 nan 0.000 0.439 292 T N 0.175 114.902 114.554 0.288 0.000 2.788 292 T HA 0.245 4.595 4.350 0.001 0.000 0.287 292 T C -1.994 172.860 174.700 0.257 0.000 1.007 292 T CA -1.736 60.500 62.100 0.226 0.000 1.005 292 T CB 1.303 70.291 68.868 0.201 0.000 1.012 292 T HN 0.254 nan 8.240 nan 0.000 0.530 293 P HA -0.088 nan 4.420 nan 0.000 0.217 293 P C 1.192 178.598 177.300 0.176 0.000 1.151 293 P CA 0.907 64.100 63.100 0.156 0.000 0.849 293 P CB -0.146 31.622 31.700 0.112 0.000 0.787 294 F N 0.816 120.820 119.950 0.090 0.000 2.134 294 F HA -0.183 4.345 4.527 0.001 0.000 0.299 294 F C 1.653 177.520 175.800 0.112 0.000 1.097 294 F CA 1.591 59.644 58.000 0.087 0.000 1.264 294 F CB -0.530 38.519 39.000 0.081 0.000 1.001 294 F HN -0.176 nan 8.300 nan 0.000 0.479 295 D N 0.235 120.824 120.400 0.315 0.000 2.123 295 D HA -0.172 4.469 4.640 0.001 0.000 0.196 295 D C 2.537 178.937 176.300 0.167 0.000 0.992 295 D CA 1.662 55.802 54.000 0.234 0.000 0.833 295 D CB -0.713 40.313 40.800 0.376 0.000 0.954 295 D HN 0.269 nan 8.370 nan 0.000 0.455 296 V N 0.777 120.829 119.914 0.230 0.000 2.307 296 V HA -0.192 3.928 4.120 0.001 0.000 0.245 296 V C 2.708 178.862 176.094 0.101 0.000 1.045 296 V CA 0.959 63.412 62.300 0.255 0.000 1.024 296 V CB -0.470 31.435 31.823 0.136 0.000 0.651 296 V HN 0.052 nan 8.190 nan 0.000 0.449 297 V N 0.761 120.658 119.914 -0.028 0.000 2.332 297 V HA -0.314 3.806 4.120 0.001 0.000 0.248 297 V C 2.641 178.636 176.094 -0.163 0.000 1.055 297 V CA 2.590 64.824 62.300 -0.110 0.000 1.038 297 V CB -0.867 30.863 31.823 -0.154 0.000 0.651 297 V HN 0.658 nan 8.190 nan 0.000 0.450 298 R N 0.314 120.649 120.500 -0.275 0.000 2.081 298 R HA -0.199 4.141 4.340 0.001 0.000 0.235 298 R C 2.025 178.255 176.300 -0.117 0.000 1.131 298 R CA 1.977 57.926 56.100 -0.251 0.000 0.960 298 R CB -0.255 29.850 30.300 -0.325 0.000 0.856 298 R HN 0.514 nan 8.270 nan 0.000 0.436 299 Q N -0.946 118.814 119.800 -0.066 0.000 2.356 299 Q HA 0.131 4.472 4.340 0.001 0.000 0.205 299 Q C 1.205 177.243 176.000 0.062 0.000 0.901 299 Q CA 0.260 56.015 55.803 -0.080 0.000 0.938 299 Q CB 0.755 29.291 28.738 -0.336 0.000 1.081 299 Q HN 0.342 nan 8.270 nan 0.000 0.517 300 C N -1.111 118.248 119.300 0.098 0.000 3.814 300 C HA 0.191 4.651 4.460 0.001 0.000 0.247 300 C C 1.672 176.674 174.990 0.019 0.000 1.881 300 C CA -0.136 58.934 59.018 0.086 0.000 1.457 300 C CB -0.356 27.422 27.740 0.065 0.000 1.670 300 C HN 0.477 nan 8.230 nan 0.000 0.727 301 S N 0.000 115.696 115.700 -0.007 0.000 2.498 301 S HA 0.000 4.471 4.470 0.001 0.000 0.327 301 S CA 0.000 58.190 58.200 -0.017 0.000 1.107 301 S CB 0.000 63.181 63.200 -0.031 0.000 0.593 301 S HN 0.000 nan 8.310 nan 0.000 0.517