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 1yvp_1_A DATA FIRST_RESID 5 DATA SEQUENCE MDQTQPLNEK QVPNSEGCYV WQVSDMNRLR RFLCFGSEGG TYYIEEKKLG DATA SEQUENCE QENAEALLRL IEDGKGCEVV QEIKTFSQEG RAAKQEPTLF ALAVCSQCSD DATA SEQUENCE IKTKQAAFRA VPEVCRIPTH LFTFIQFKKD LKEGMKCGMW GRALRKAVSD DATA SEQUENCE WYNTKDALNL AMAVTKYKQR NGWSHKDLLR LSHIKPANEG LTMVAKYVSK DATA SEQUENCE GWKEVQEAYK EKELSPETEK VLKYLEATER VKRTKDELEI IHLIDEYRLV DATA SEQUENCE REHLLTIHLK SKEIWKSLLQ DMPLTALLRN LGKMTADSVL APASSEVSSV DATA SEQUENCE CERLTNEKLL KKARIHPFHI LVALETYKKG HGXXXXLRWI PDTSIVEALD DATA SEQUENCE NAFYKSFKLV EPTGKRFLLA IDVSASMNQR VLGSILNASV VAAAMCMLVA DATA SEQUENCE RTEKDSHMVA FSDEMLPCPI TVNMLLHEVV EKMSDITMGS TDCALPMLWA DATA SEQUENCE QKTNTAADIF IVFTDCETNV EDVHPATALK QYREKMGIPA KLIVCAMTSN DATA SEQUENCE GFSIADPDDR GMLDICGFDS GALDVIRNFT LDL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.317 176.300 0.029 0.000 1.140 5 M CA 0.000 55.308 55.300 0.014 0.000 0.988 5 M CB 0.000 32.615 32.600 0.025 0.000 1.302 6 D N 2.164 122.562 120.400 -0.002 0.000 2.758 6 D HA 0.408 5.049 4.640 0.001 0.000 0.279 6 D C 0.099 176.244 176.300 -0.258 0.000 1.111 6 D CA -0.311 53.636 54.000 -0.089 0.000 1.109 6 D CB 0.409 41.159 40.800 -0.083 0.000 1.428 6 D HN 0.688 nan 8.370 nan 0.000 0.586 7 Q N -0.853 118.667 119.800 -0.467 0.000 2.234 7 Q HA -0.102 4.239 4.340 0.001 0.000 0.206 7 Q C 1.525 177.418 176.000 -0.178 0.000 0.980 7 Q CA 2.002 57.427 55.803 -0.630 0.000 0.869 7 Q CB -0.497 27.999 28.738 -0.403 0.000 0.912 7 Q HN 0.753 nan 8.270 nan 0.000 0.436 8 T N -2.324 112.186 114.554 -0.074 0.000 3.163 8 T HA -0.033 4.317 4.350 0.001 0.000 0.260 8 T C 0.444 175.194 174.700 0.083 0.000 1.156 8 T CA 0.238 62.365 62.100 0.045 0.000 1.072 8 T CB 0.103 68.975 68.868 0.006 0.000 0.937 8 T HN 0.158 nan 8.240 nan 0.000 0.528 9 Q N 2.002 121.797 119.800 -0.008 0.000 2.365 9 Q HA 0.443 4.783 4.340 0.001 0.000 0.269 9 Q C -2.931 172.882 176.000 -0.311 0.000 1.061 9 Q CA -2.979 52.696 55.803 -0.214 0.000 0.816 9 Q CB 2.320 30.988 28.738 -0.117 0.000 1.325 9 Q HN 0.150 nan 8.270 nan 0.000 0.446 10 P HA 0.000 nan 4.420 nan 0.000 0.271 10 P C 0.020 177.089 177.300 -0.385 0.000 1.216 10 P CA 0.066 62.760 63.100 -0.677 0.000 0.776 10 P CB 1.205 32.414 31.700 -0.818 0.000 0.881 11 L N 2.069 123.009 121.223 -0.473 0.000 2.131 11 L HA -0.019 4.322 4.340 0.001 0.000 0.206 11 L C 1.361 178.110 176.870 -0.201 0.000 1.087 11 L CA 1.241 55.838 54.840 -0.405 0.000 0.767 11 L CB -0.203 41.520 42.059 -0.560 0.000 0.917 11 L HN 0.650 nan 8.230 nan 0.000 0.441 12 N N -2.528 116.066 118.700 -0.178 0.000 3.020 12 N HA 0.004 4.744 4.740 0.001 0.000 0.248 12 N C 0.042 175.522 175.510 -0.050 0.000 1.480 12 N CA -0.499 52.514 53.050 -0.062 0.000 0.874 12 N CB 0.691 39.204 38.487 0.043 0.000 1.433 12 N HN -0.151 nan 8.380 nan 0.000 0.530 13 E N 0.986 121.184 120.200 -0.004 0.000 2.267 13 E HA -0.192 4.158 4.350 0.001 0.000 0.197 13 E C 0.772 177.402 176.600 0.050 0.000 0.998 13 E CA 1.335 57.743 56.400 0.013 0.000 0.830 13 E CB -0.259 29.454 29.700 0.021 0.000 0.751 13 E HN 0.578 nan 8.360 nan 0.000 0.491 14 K N 0.396 120.853 120.400 0.095 0.000 2.288 14 K HA 0.000 4.321 4.320 0.001 0.000 0.201 14 K C 1.079 177.755 176.600 0.126 0.000 1.048 14 K CA 0.346 56.733 56.287 0.166 0.000 0.956 14 K CB 0.054 32.738 32.500 0.307 0.000 0.746 14 K HN 0.245 nan 8.250 nan 0.000 0.461 15 Q N 1.084 120.858 119.800 -0.043 0.000 2.340 15 Q HA 0.200 4.541 4.340 0.001 0.000 0.249 15 Q C -0.293 175.738 176.000 0.052 0.000 0.957 15 Q CA -0.261 55.435 55.803 -0.178 0.000 0.882 15 Q CB 1.538 30.055 28.738 -0.367 0.000 1.235 15 Q HN -0.005 nan 8.270 nan 0.000 0.439 16 V N -1.227 118.683 119.914 -0.008 0.000 3.102 16 V HA 0.713 4.834 4.120 0.001 0.000 0.312 16 V C -2.726 173.117 176.094 -0.418 0.000 1.135 16 V CA -2.669 59.585 62.300 -0.076 0.000 1.022 16 V CB 1.964 33.795 31.823 0.013 0.000 1.056 16 V HN 0.661 nan 8.190 nan 0.000 0.436 17 P HA 0.292 nan 4.420 nan 0.000 0.284 17 P C -0.638 176.250 177.300 -0.686 0.000 1.253 17 P CA -0.237 62.351 63.100 -0.854 0.000 0.800 17 P CB 0.886 32.116 31.700 -0.783 0.000 0.961 18 N N 0.460 118.646 118.700 -0.857 0.000 2.443 18 N HA 0.108 4.848 4.740 0.001 0.000 0.294 18 N C 0.937 175.973 175.510 -0.791 0.000 1.289 18 N CA -0.728 51.484 53.050 -1.396 0.000 0.966 18 N CB -0.027 37.699 38.487 -1.269 0.000 1.122 18 N HN 0.147 nan 8.380 nan 0.000 0.569 19 S N -0.250 115.044 115.700 -0.678 0.000 2.400 19 S HA -0.106 4.365 4.470 0.001 0.000 0.232 19 S C 1.124 175.492 174.600 -0.387 0.000 1.025 19 S CA 1.012 58.976 58.200 -0.394 0.000 0.993 19 S CB -0.301 62.627 63.200 -0.453 0.000 0.808 19 S HN 0.507 nan 8.310 nan 0.000 0.478 20 E N -0.114 119.801 120.200 -0.475 0.000 2.489 20 E HA 0.152 4.503 4.350 0.001 0.000 0.193 20 E C 1.462 177.936 176.600 -0.209 0.000 1.057 20 E CA 0.535 56.772 56.400 -0.272 0.000 0.866 20 E CB 0.076 29.633 29.700 -0.238 0.000 0.916 20 E HN 0.570 nan 8.360 nan 0.000 0.500 21 G N 0.847 109.477 108.800 -0.283 0.000 2.175 21 G HA2 -0.281 3.680 3.960 0.001 0.000 0.244 21 G HA3 -0.281 3.680 3.960 0.001 0.000 0.244 21 G C 0.511 175.232 174.900 -0.299 0.000 0.982 21 G CA 0.226 45.171 45.100 -0.259 0.000 0.641 21 G HN 0.321 nan 8.290 nan 0.000 0.527 22 C N 0.349 119.467 119.300 -0.303 0.000 2.443 22 C HA 0.670 5.131 4.460 0.001 0.000 0.369 22 C C 0.514 175.292 174.990 -0.353 0.000 1.241 22 C CA -0.834 58.059 59.018 -0.209 0.000 2.413 22 C CB 0.033 27.676 27.740 -0.161 0.000 2.451 22 C HN 0.321 nan 8.230 nan 0.000 0.595 23 Y N 1.464 121.673 120.300 -0.151 0.000 2.316 23 Y HA 0.514 5.064 4.550 0.001 0.000 0.331 23 Y C 0.721 176.525 175.900 -0.160 0.000 1.083 23 Y CA 0.064 58.076 58.100 -0.145 0.000 1.206 23 Y CB 0.565 38.970 38.460 -0.092 0.000 1.195 23 Y HN 0.563 nan 8.280 nan 0.000 0.497 24 V N -1.096 118.709 119.914 -0.183 0.000 3.076 24 V HA 0.565 4.685 4.120 0.001 0.000 0.311 24 V C -1.191 174.775 176.094 -0.213 0.000 1.346 24 V CA -1.543 60.654 62.300 -0.171 0.000 1.056 24 V CB 2.008 33.809 31.823 -0.037 0.000 1.093 24 V HN 0.672 nan 8.190 nan 0.000 0.468 25 W N 0.064 121.425 121.300 0.101 0.000 2.578 25 W HA 0.657 5.317 4.660 0.001 0.000 0.353 25 W C -0.268 176.336 176.519 0.142 0.000 1.088 25 W CA -0.182 57.222 57.345 0.099 0.000 1.235 25 W CB 1.885 31.385 29.460 0.067 0.000 1.362 25 W HN 0.744 nan 8.180 nan 0.000 0.592 26 Q N 1.280 121.295 119.800 0.359 0.000 2.294 26 Q HA 0.273 4.613 4.340 0.001 0.000 0.257 26 Q C -0.551 175.557 176.000 0.179 0.000 0.955 26 Q CA -0.077 55.867 55.803 0.235 0.000 0.936 26 Q CB 1.301 30.135 28.738 0.160 0.000 1.188 26 Q HN 0.298 nan 8.270 nan 0.000 0.420 27 V N 4.383 124.371 119.914 0.123 0.000 2.843 27 V HA 0.151 4.271 4.120 0.001 0.000 0.305 27 V C -0.090 176.025 176.094 0.035 0.000 1.065 27 V CA 0.548 62.892 62.300 0.074 0.000 1.116 27 V CB 1.012 32.866 31.823 0.051 0.000 0.968 27 V HN 1.080 nan 8.190 nan 0.000 0.487 28 S N 4.133 119.844 115.700 0.019 0.000 2.573 28 S HA 0.034 4.505 4.470 0.001 0.000 0.277 28 S C 0.849 175.443 174.600 -0.010 0.000 1.346 28 S CA 0.065 58.267 58.200 0.003 0.000 1.034 28 S CB 0.688 63.883 63.200 -0.008 0.000 0.879 28 S HN 0.800 nan 8.310 nan 0.000 0.528 29 D N 1.357 121.745 120.400 -0.019 0.000 2.123 29 D HA -0.101 4.540 4.640 0.001 0.000 0.196 29 D C 1.852 178.129 176.300 -0.038 0.000 0.992 29 D CA 1.311 55.291 54.000 -0.034 0.000 0.833 29 D CB -0.164 40.613 40.800 -0.039 0.000 0.954 29 D HN 0.481 nan 8.370 nan 0.000 0.455 30 M N 0.349 119.930 119.600 -0.033 0.000 2.229 30 M HA -0.088 4.393 4.480 0.001 0.000 0.264 30 M C 1.678 177.956 176.300 -0.037 0.000 1.063 30 M CA 0.979 56.255 55.300 -0.039 0.000 1.114 30 M CB -1.029 31.553 32.600 -0.030 0.000 1.387 30 M HN 0.075 nan 8.290 nan 0.000 0.420 31 N N -0.523 118.166 118.700 -0.019 0.000 2.216 31 N HA -0.128 4.612 4.740 0.001 0.000 0.183 31 N C 1.810 177.326 175.510 0.009 0.000 1.017 31 N CA 0.554 53.602 53.050 -0.002 0.000 0.861 31 N CB 0.063 38.553 38.487 0.006 0.000 0.986 31 N HN 0.270 nan 8.380 nan 0.000 0.428 32 R N 0.837 121.336 120.500 -0.002 0.000 2.115 32 R HA -0.057 4.284 4.340 0.001 0.000 0.230 32 R C 2.115 178.432 176.300 0.028 0.000 1.111 32 R CA 0.618 56.724 56.100 0.009 0.000 0.976 32 R CB -0.137 30.143 30.300 -0.032 0.000 0.870 32 R HN 0.158 nan 8.270 nan 0.000 0.445 33 L N 1.146 122.361 121.223 -0.014 0.000 2.046 33 L HA -0.145 4.196 4.340 0.001 0.000 0.208 33 L C 2.020 178.868 176.870 -0.038 0.000 1.077 33 L CA 1.777 56.611 54.840 -0.011 0.000 0.747 33 L CB -0.294 41.723 42.059 -0.070 0.000 0.896 33 L HN 0.078 nan 8.230 nan 0.000 0.432 34 R N -0.813 119.617 120.500 -0.118 0.000 2.096 34 R HA -0.103 4.237 4.340 0.001 0.000 0.235 34 R C 2.361 178.632 176.300 -0.048 0.000 1.127 34 R CA 1.530 57.494 56.100 -0.227 0.000 0.968 34 R CB -0.376 29.848 30.300 -0.127 0.000 0.861 34 R HN 0.400 nan 8.270 nan 0.000 0.440 35 R N -0.193 120.357 120.500 0.084 0.000 2.081 35 R HA -0.144 4.197 4.340 0.001 0.000 0.235 35 R C 2.120 178.556 176.300 0.226 0.000 1.131 35 R CA 1.598 57.833 56.100 0.224 0.000 0.960 35 R CB -0.397 30.056 30.300 0.256 0.000 0.856 35 R HN 0.217 nan 8.270 nan 0.000 0.436 36 F N 1.428 121.390 119.950 0.019 0.000 2.134 36 F HA -0.148 4.379 4.527 0.001 0.000 0.299 36 F C 1.936 177.708 175.800 -0.047 0.000 1.097 36 F CA 1.256 59.254 58.000 -0.003 0.000 1.264 36 F CB -0.017 38.962 39.000 -0.035 0.000 1.001 36 F HN -0.087 nan 8.300 nan 0.000 0.479 37 L N -0.676 120.454 121.223 -0.155 0.000 2.083 37 L HA -0.287 4.053 4.340 0.001 0.000 0.209 37 L C 2.400 179.126 176.870 -0.241 0.000 1.083 37 L CA 1.205 55.887 54.840 -0.263 0.000 0.752 37 L CB -0.871 40.987 42.059 -0.334 0.000 0.899 37 L HN 0.342 nan 8.230 nan 0.000 0.433 38 C N -1.554 117.607 119.300 -0.231 0.000 2.504 38 C HA 0.015 4.475 4.460 0.001 0.000 0.279 38 C C 2.261 176.878 174.990 -0.622 0.000 1.358 38 C CA 0.078 58.849 59.018 -0.411 0.000 1.747 38 C CB -0.595 26.839 27.740 -0.510 0.000 2.037 38 C HN 0.430 nan 8.230 nan 0.000 0.503 39 F N 0.327 120.190 119.950 -0.144 0.000 2.727 39 F HA 0.376 4.903 4.527 0.001 0.000 0.302 39 F C 1.785 177.455 175.800 -0.216 0.000 1.107 39 F CA 0.710 58.610 58.000 -0.168 0.000 1.277 39 F CB -0.413 38.545 39.000 -0.070 0.000 1.079 39 F HN 0.349 nan 8.300 nan 0.000 0.594 40 G N 1.240 109.912 108.800 -0.214 0.000 2.641 40 G HA2 -0.291 3.670 3.960 0.001 0.000 0.254 40 G HA3 -0.291 3.670 3.960 0.001 0.000 0.254 40 G C 0.673 175.549 174.900 -0.040 0.000 1.315 40 G CA 0.220 45.074 45.100 -0.410 0.000 0.907 40 G HN 0.549 nan 8.290 nan 0.000 0.572 41 S N -1.233 114.482 115.700 0.026 0.000 2.733 41 S HA 0.369 4.840 4.470 0.001 0.000 0.247 41 S C 0.485 175.108 174.600 0.038 0.000 1.043 41 S CA 1.064 59.325 58.200 0.101 0.000 1.066 41 S CB 0.526 63.828 63.200 0.169 0.000 1.045 41 S HN 1.023 nan 8.310 nan 0.000 0.586 42 E N 1.510 121.717 120.200 0.012 0.000 2.465 42 E HA 0.335 4.685 4.350 0.001 0.000 0.260 42 E C 1.271 177.884 176.600 0.022 0.000 0.980 42 E CA 1.121 57.531 56.400 0.016 0.000 0.927 42 E CB -0.231 29.480 29.700 0.018 0.000 0.934 42 E HN 0.576 nan 8.360 nan 0.000 0.459 43 G N 2.879 111.691 108.800 0.021 0.000 2.234 43 G HA2 -0.320 3.641 3.960 0.001 0.000 0.260 43 G HA3 -0.320 3.641 3.960 0.001 0.000 0.260 43 G C 0.802 175.712 174.900 0.017 0.000 0.987 43 G CA 0.260 45.372 45.100 0.020 0.000 0.625 43 G HN 1.485 nan 8.290 nan 0.000 0.532 44 G N -1.041 107.772 108.800 0.022 0.000 2.622 44 G HA2 0.260 4.221 3.960 0.001 0.000 0.272 44 G HA3 0.260 4.221 3.960 0.001 0.000 0.272 44 G C 0.576 175.496 174.900 0.033 0.000 1.308 44 G CA 1.855 46.971 45.100 0.027 0.000 0.919 44 G HN 2.474 nan 8.290 nan 0.000 0.565 45 T N -4.331 110.255 114.554 0.054 0.000 2.841 45 T HA 0.556 4.907 4.350 0.001 0.000 0.276 45 T C 0.980 175.728 174.700 0.079 0.000 1.003 45 T CA 0.513 62.663 62.100 0.083 0.000 0.995 45 T CB 1.494 70.447 68.868 0.142 0.000 1.260 45 T HN 1.187 nan 8.240 nan 0.000 0.581 46 Y N -0.166 120.091 120.300 -0.071 0.000 2.256 46 Y HA -0.105 4.445 4.550 0.001 0.000 0.288 46 Y C 1.555 177.252 175.900 -0.339 0.000 1.155 46 Y CA 1.487 59.435 58.100 -0.252 0.000 1.203 46 Y CB -0.306 37.908 38.460 -0.410 0.000 0.980 46 Y HN 0.701 nan 8.280 nan 0.000 0.530 47 Y N -1.126 119.263 120.300 0.148 0.000 2.535 47 Y HA 0.280 4.830 4.550 0.001 0.000 0.266 47 Y C 0.279 176.204 175.900 0.041 0.000 1.088 47 Y CA -0.262 57.888 58.100 0.083 0.000 1.285 47 Y CB 0.537 39.089 38.460 0.154 0.000 1.166 47 Y HN -0.230 nan 8.280 nan 0.000 0.525 48 I N 0.793 121.481 120.570 0.196 0.000 2.404 48 I HA 0.213 4.383 4.170 0.001 0.000 0.293 48 I C -0.288 175.860 176.117 0.051 0.000 0.992 48 I CA -0.822 60.545 61.300 0.112 0.000 1.149 48 I CB 1.680 39.742 38.000 0.105 0.000 1.315 48 I HN 0.004 nan 8.210 nan 0.000 0.446 49 E N 4.064 124.280 120.200 0.027 0.000 2.383 49 E HA -0.013 4.338 4.350 0.001 0.000 0.264 49 E C 0.892 177.497 176.600 0.009 0.000 1.050 49 E CA -0.046 56.358 56.400 0.007 0.000 0.896 49 E CB 1.194 30.894 29.700 -0.000 0.000 0.982 49 E HN 0.651 nan 8.360 nan 0.000 0.424 50 E N 3.424 123.627 120.200 0.005 0.000 2.095 50 E HA -0.371 3.979 4.350 0.001 0.000 0.212 50 E C 1.731 178.328 176.600 -0.004 0.000 1.044 50 E CA 2.088 58.491 56.400 0.005 0.000 0.857 50 E CB 0.080 29.783 29.700 0.005 0.000 0.764 50 E HN 0.419 nan 8.360 nan 0.000 0.462 51 K N 0.544 120.940 120.400 -0.007 0.000 2.032 51 K HA -0.244 4.076 4.320 0.001 0.000 0.209 51 K C 2.372 178.959 176.600 -0.022 0.000 1.048 51 K CA 1.933 58.210 56.287 -0.016 0.000 0.927 51 K CB -0.163 32.333 32.500 -0.008 0.000 0.712 51 K HN 0.027 nan 8.250 nan 0.000 0.441 52 K N 0.779 121.172 120.400 -0.012 0.000 2.063 52 K HA -0.144 4.177 4.320 0.001 0.000 0.208 52 K C 2.176 178.761 176.600 -0.026 0.000 1.048 52 K CA 1.224 57.503 56.287 -0.014 0.000 0.928 52 K CB -0.130 32.370 32.500 0.001 0.000 0.713 52 K HN 0.195 nan 8.250 nan 0.000 0.442 53 L N 0.331 121.545 121.223 -0.015 0.000 2.046 53 L HA -0.131 4.209 4.340 0.001 0.000 0.208 53 L C 2.340 179.183 176.870 -0.045 0.000 1.077 53 L CA 1.771 56.600 54.840 -0.017 0.000 0.747 53 L CB -0.786 41.284 42.059 0.017 0.000 0.896 53 L HN 0.504 nan 8.230 nan 0.000 0.432 54 G N -1.080 107.688 108.800 -0.053 0.000 2.421 54 G HA2 -0.279 3.681 3.960 0.001 0.000 0.216 54 G HA3 -0.279 3.681 3.960 0.001 0.000 0.216 54 G C 1.381 176.184 174.900 -0.161 0.000 1.171 54 G CA 0.443 45.471 45.100 -0.120 0.000 0.775 54 G HN 0.445 nan 8.290 nan 0.000 0.543 55 Q N -0.039 119.700 119.800 -0.101 0.000 2.124 55 Q HA -0.072 4.269 4.340 0.001 0.000 0.202 55 Q C 2.436 178.376 176.000 -0.099 0.000 0.977 55 Q CA 1.211 56.966 55.803 -0.080 0.000 0.850 55 Q CB -0.136 28.574 28.738 -0.047 0.000 0.901 55 Q HN 0.587 nan 8.270 nan 0.000 0.429 56 E N 0.834 120.973 120.200 -0.103 0.000 2.038 56 E HA -0.200 4.150 4.350 0.001 0.000 0.195 56 E C 1.670 178.172 176.600 -0.164 0.000 1.000 56 E CA 1.359 57.690 56.400 -0.116 0.000 0.803 56 E CB -0.014 29.619 29.700 -0.112 0.000 0.750 56 E HN 0.348 nan 8.360 nan 0.000 0.448 57 N N 0.082 118.643 118.700 -0.232 0.000 2.244 57 N HA -0.116 4.624 4.740 0.001 0.000 0.183 57 N C 1.586 176.873 175.510 -0.372 0.000 1.016 57 N CA 1.047 53.874 53.050 -0.372 0.000 0.866 57 N CB -0.053 38.020 38.487 -0.689 0.000 0.980 57 N HN 0.122 nan 8.380 nan 0.000 0.430 58 A N 1.035 123.687 122.820 -0.280 0.000 1.933 58 A HA -0.160 4.160 4.320 0.001 0.000 0.218 58 A C 1.986 179.501 177.584 -0.115 0.000 1.175 58 A CA 1.279 53.238 52.037 -0.130 0.000 0.628 58 A CB -0.393 18.603 19.000 -0.006 0.000 0.814 58 A HN 0.273 nan 8.150 nan 0.000 0.444 59 E N -0.330 119.803 120.200 -0.111 0.000 2.051 59 E HA -0.155 4.196 4.350 0.001 0.000 0.192 59 E C 2.355 178.899 176.600 -0.093 0.000 0.991 59 E CA 1.012 57.361 56.400 -0.086 0.000 0.799 59 E CB -0.285 29.370 29.700 -0.075 0.000 0.748 59 E HN 0.612 nan 8.360 nan 0.000 0.449 60 A N 1.280 124.030 122.820 -0.117 0.000 1.940 60 A HA -0.176 4.145 4.320 0.001 0.000 0.219 60 A C 2.157 179.677 177.584 -0.106 0.000 1.176 60 A CA 0.951 52.925 52.037 -0.107 0.000 0.631 60 A CB -0.591 18.336 19.000 -0.122 0.000 0.814 60 A HN 0.224 nan 8.150 nan 0.000 0.446 61 L N -1.239 119.904 121.223 -0.134 0.000 1.994 61 L HA -0.157 4.184 4.340 0.001 0.000 0.208 61 L C 2.414 179.222 176.870 -0.103 0.000 1.071 61 L CA 1.229 55.994 54.840 -0.126 0.000 0.745 61 L CB -0.276 41.690 42.059 -0.156 0.000 0.892 61 L HN 0.338 nan 8.230 nan 0.000 0.431 62 L N -0.170 120.995 121.223 -0.097 0.000 2.131 62 L HA -0.217 4.124 4.340 0.001 0.000 0.210 62 L C 2.658 179.490 176.870 -0.063 0.000 1.092 62 L CA 1.570 56.362 54.840 -0.080 0.000 0.759 62 L CB -0.810 41.207 42.059 -0.070 0.000 0.903 62 L HN 0.203 nan 8.230 nan 0.000 0.435 63 R N -0.857 119.607 120.500 -0.061 0.000 2.075 63 R HA -0.114 4.227 4.340 0.001 0.000 0.232 63 R C 2.292 178.565 176.300 -0.045 0.000 1.126 63 R CA 1.121 57.192 56.100 -0.047 0.000 0.963 63 R CB -0.171 30.102 30.300 -0.045 0.000 0.858 63 R HN 0.302 nan 8.270 nan 0.000 0.435 64 L N 0.421 121.612 121.223 -0.054 0.000 2.017 64 L HA -0.202 4.139 4.340 0.001 0.000 0.208 64 L C 2.390 179.232 176.870 -0.047 0.000 1.073 64 L CA 1.326 56.136 54.840 -0.050 0.000 0.745 64 L CB -0.307 41.717 42.059 -0.059 0.000 0.894 64 L HN 0.269 nan 8.230 nan 0.000 0.432 65 I N -0.485 120.052 120.570 -0.056 0.000 2.179 65 I HA -0.273 3.897 4.170 0.001 0.000 0.242 65 I C 2.562 178.654 176.117 -0.041 0.000 1.088 65 I CA 1.125 62.393 61.300 -0.053 0.000 1.357 65 I CB -0.256 37.704 38.000 -0.066 0.000 1.051 65 I HN 0.257 nan 8.210 nan 0.000 0.409 66 E N 1.410 121.586 120.200 -0.039 0.000 2.110 66 E HA -0.238 4.113 4.350 0.001 0.000 0.193 66 E C 1.329 177.915 176.600 -0.024 0.000 0.988 66 E CA 1.435 57.817 56.400 -0.030 0.000 0.804 66 E CB -0.152 29.530 29.700 -0.029 0.000 0.745 66 E HN 0.344 nan 8.360 nan 0.000 0.458 67 D N -0.912 119.473 120.400 -0.025 0.000 2.352 67 D HA 0.115 4.755 4.640 0.001 0.000 0.232 67 D C 0.756 177.045 176.300 -0.018 0.000 1.055 67 D CA 0.935 54.923 54.000 -0.019 0.000 0.891 67 D CB 0.029 40.818 40.800 -0.019 0.000 0.897 67 D HN 0.331 nan 8.370 nan 0.000 0.529 68 G N 1.234 110.021 108.800 -0.021 0.000 2.160 68 G HA2 -0.341 3.620 3.960 0.001 0.000 0.244 68 G HA3 -0.341 3.620 3.960 0.001 0.000 0.244 68 G C 0.750 175.638 174.900 -0.020 0.000 1.022 68 G CA 0.086 45.175 45.100 -0.018 0.000 0.741 68 G HN 0.406 nan 8.290 nan 0.000 0.508 69 K N -0.088 120.297 120.400 -0.025 0.000 2.455 69 K HA 0.323 4.644 4.320 0.001 0.000 0.206 69 K C 2.300 178.880 176.600 -0.033 0.000 1.027 69 K CA 0.176 56.448 56.287 -0.026 0.000 1.113 69 K CB 0.653 33.137 32.500 -0.026 0.000 0.850 69 K HN 0.282 nan 8.250 nan 0.000 0.503 70 G N 1.067 109.845 108.800 -0.037 0.000 2.469 70 G HA2 -0.282 3.678 3.960 0.001 0.000 0.220 70 G HA3 -0.282 3.678 3.960 0.001 0.000 0.220 70 G C 1.418 176.292 174.900 -0.043 0.000 1.136 70 G CA 0.858 45.930 45.100 -0.047 0.000 0.759 70 G HN 0.351 nan 8.290 nan 0.000 0.562 71 C N 0.159 119.440 119.300 -0.031 0.000 2.446 71 C HA 0.103 4.564 4.460 0.001 0.000 0.279 71 C C 2.719 177.695 174.990 -0.024 0.000 1.366 71 C CA 0.687 59.689 59.018 -0.026 0.000 1.763 71 C CB -0.614 27.117 27.740 -0.015 0.000 1.929 71 C HN 0.579 nan 8.230 nan 0.000 0.509 72 E N 0.346 120.531 120.200 -0.024 0.000 2.107 72 E HA -0.139 4.212 4.350 0.001 0.000 0.191 72 E C 2.150 178.732 176.600 -0.031 0.000 0.982 72 E CA 1.007 57.395 56.400 -0.021 0.000 0.809 72 E CB -0.071 29.617 29.700 -0.019 0.000 0.756 72 E HN 0.457 nan 8.360 nan 0.000 0.459 73 V N 1.068 120.956 119.914 -0.043 0.000 2.233 73 V HA -0.266 3.855 4.120 0.001 0.000 0.247 73 V C 2.394 178.455 176.094 -0.056 0.000 1.050 73 V CA 1.568 63.834 62.300 -0.057 0.000 1.010 73 V CB -0.502 31.281 31.823 -0.067 0.000 0.637 73 V HN 0.133 nan 8.190 nan 0.000 0.444 74 V N -0.171 119.710 119.914 -0.055 0.000 2.324 74 V HA -0.348 3.773 4.120 0.001 0.000 0.250 74 V C 2.491 178.564 176.094 -0.035 0.000 1.060 74 V CA 2.413 64.680 62.300 -0.054 0.000 1.042 74 V CB -0.800 30.988 31.823 -0.057 0.000 0.650 74 V HN 0.601 nan 8.190 nan 0.000 0.450 75 Q N 0.457 120.244 119.800 -0.022 0.000 2.084 75 Q HA -0.234 4.106 4.340 0.001 0.000 0.202 75 Q C 2.067 178.075 176.000 0.014 0.000 0.978 75 Q CA 2.201 58.001 55.803 -0.004 0.000 0.844 75 Q CB -0.363 28.376 28.738 0.001 0.000 0.898 75 Q HN 0.657 nan 8.270 nan 0.000 0.426 76 E N -0.275 119.925 120.200 -0.000 0.000 2.106 76 E HA -0.066 4.284 4.350 0.001 0.000 0.192 76 E C 1.775 178.379 176.600 0.007 0.000 0.984 76 E CA 1.188 57.594 56.400 0.010 0.000 0.806 76 E CB -0.266 29.397 29.700 -0.062 0.000 0.750 76 E HN 0.534 nan 8.360 nan 0.000 0.458 77 I N 0.434 120.982 120.570 -0.037 0.000 2.179 77 I HA -0.261 3.909 4.170 0.001 0.000 0.242 77 I C 2.529 178.664 176.117 0.029 0.000 1.088 77 I CA 1.299 62.581 61.300 -0.030 0.000 1.357 77 I CB -0.305 37.665 38.000 -0.050 0.000 1.051 77 I HN 0.117 nan 8.210 nan 0.000 0.409 78 K N 0.604 121.011 120.400 0.012 0.000 2.057 78 K HA -0.179 4.141 4.320 0.001 0.000 0.207 78 K C 2.068 178.697 176.600 0.048 0.000 1.049 78 K CA 1.960 58.253 56.287 0.010 0.000 0.931 78 K CB -0.070 32.426 32.500 -0.006 0.000 0.714 78 K HN 0.217 nan 8.250 nan 0.000 0.440 79 T N 0.665 115.271 114.554 0.088 0.000 2.708 79 T HA -0.114 4.236 4.350 0.001 0.000 0.266 79 T C 1.498 176.280 174.700 0.136 0.000 1.037 79 T CA 1.384 63.547 62.100 0.105 0.000 1.146 79 T CB -0.335 68.614 68.868 0.135 0.000 0.865 79 T HN 0.132 nan 8.240 nan 0.000 0.435 80 F N 1.370 121.302 119.950 -0.031 0.000 2.126 80 F HA -0.101 4.426 4.527 0.001 0.000 0.299 80 F C 2.906 178.678 175.800 -0.048 0.000 1.096 80 F CA 1.058 59.036 58.000 -0.037 0.000 1.255 80 F CB -0.900 38.072 39.000 -0.046 0.000 0.997 80 F HN 0.105 nan 8.300 nan 0.000 0.479 81 S N -0.475 115.299 115.700 0.123 0.000 2.343 81 S HA -0.236 4.234 4.470 0.001 0.000 0.219 81 S C 2.055 176.652 174.600 -0.006 0.000 1.033 81 S CA 1.606 59.816 58.200 0.018 0.000 1.014 81 S CB -0.360 62.822 63.200 -0.029 0.000 0.915 81 S HN 0.470 nan 8.310 nan 0.000 0.435 82 Q N 0.201 120.000 119.800 -0.002 0.000 2.096 82 Q HA -0.137 4.203 4.340 0.001 0.000 0.204 82 Q C 1.834 177.822 176.000 -0.020 0.000 0.982 82 Q CA 1.682 57.480 55.803 -0.010 0.000 0.850 82 Q CB -0.217 28.517 28.738 -0.008 0.000 0.901 82 Q HN 0.707 nan 8.270 nan 0.000 0.422 83 E N -0.651 119.526 120.200 -0.039 0.000 2.489 83 E HA 0.086 4.437 4.350 0.001 0.000 0.193 83 E C 0.657 177.211 176.600 -0.076 0.000 1.057 83 E CA 0.245 56.605 56.400 -0.067 0.000 0.866 83 E CB 0.346 29.983 29.700 -0.104 0.000 0.916 83 E HN 0.453 nan 8.360 nan 0.000 0.500 84 G N 2.522 111.291 108.800 -0.052 0.000 2.305 84 G HA2 -0.356 3.605 3.960 0.001 0.000 0.287 84 G HA3 -0.356 3.605 3.960 0.001 0.000 0.287 84 G C 0.735 175.617 174.900 -0.030 0.000 1.036 84 G CA 0.413 45.501 45.100 -0.020 0.000 0.887 84 G HN 0.263 nan 8.290 nan 0.000 0.505 85 R N -0.446 119.950 120.500 -0.174 0.000 2.280 85 R HA 0.293 4.634 4.340 0.001 0.000 0.207 85 R C 1.411 177.646 176.300 -0.108 0.000 1.043 85 R CA 1.051 56.987 56.100 -0.272 0.000 1.006 85 R CB 0.199 29.991 30.300 -0.847 0.000 0.885 85 R HN 0.647 nan 8.270 nan 0.000 0.467 86 A N -0.237 122.507 122.820 -0.127 0.000 2.330 86 A HA 0.596 4.917 4.320 0.001 0.000 0.327 86 A C 0.788 177.979 177.584 -0.655 0.000 1.155 86 A CA -0.286 51.587 52.037 -0.274 0.000 0.803 86 A CB 1.416 20.395 19.000 -0.035 0.000 1.208 86 A HN 0.167 nan 8.150 nan 0.000 0.477 87 A N 2.204 124.396 122.820 -1.047 0.000 1.933 87 A HA 0.049 4.369 4.320 0.001 0.000 0.218 87 A C 1.102 178.537 177.584 -0.248 0.000 1.175 87 A CA 1.359 52.844 52.037 -0.919 0.000 0.628 87 A CB -0.133 18.447 19.000 -0.700 0.000 0.814 87 A HN 0.712 nan 8.150 nan 0.000 0.444 88 K N -1.100 119.187 120.400 -0.188 0.000 2.267 88 K HA 0.384 4.705 4.320 0.001 0.000 0.246 88 K C 0.068 176.643 176.600 -0.041 0.000 0.954 88 K CA -0.728 55.542 56.287 -0.028 0.000 0.824 88 K CB 1.230 33.710 32.500 -0.033 0.000 1.167 88 K HN 0.038 nan 8.250 nan 0.000 0.431 89 Q N 0.975 120.789 119.800 0.023 0.000 2.302 89 Q HA -0.049 4.292 4.340 0.001 0.000 0.202 89 Q C 1.041 177.082 176.000 0.068 0.000 0.936 89 Q CA 1.047 56.850 55.803 0.001 0.000 0.886 89 Q CB 0.258 28.988 28.738 -0.012 0.000 0.986 89 Q HN 0.557 nan 8.270 nan 0.000 0.487 90 E N 0.825 121.102 120.200 0.127 0.000 2.086 90 E HA -0.179 4.171 4.350 0.001 0.000 0.200 90 E C -0.871 175.843 176.600 0.189 0.000 1.012 90 E CA 1.826 58.397 56.400 0.284 0.000 0.812 90 E CB -1.268 28.592 29.700 0.267 0.000 0.743 90 E HN 0.318 nan 8.360 nan 0.000 0.453 91 P HA -0.163 nan 4.420 nan 0.000 0.215 91 P C 1.553 178.856 177.300 0.006 0.000 1.157 91 P CA 2.380 65.301 63.100 -0.298 0.000 0.863 91 P CB -0.257 30.951 31.700 -0.819 0.000 0.787 92 T N -2.200 112.343 114.554 -0.019 0.000 2.746 92 T HA -0.124 4.226 4.350 0.001 0.000 0.267 92 T C 1.857 176.608 174.700 0.086 0.000 1.039 92 T CA 1.179 63.292 62.100 0.023 0.000 1.142 92 T CB -1.352 67.504 68.868 -0.019 0.000 0.866 92 T HN -0.020 nan 8.240 nan 0.000 0.444 93 L N -0.682 120.635 121.223 0.156 0.000 2.093 93 L HA 0.141 4.482 4.340 0.001 0.000 0.208 93 L C 2.484 179.587 176.870 0.390 0.000 1.085 93 L CA 1.358 56.372 54.840 0.290 0.000 0.755 93 L CB -0.664 41.620 42.059 0.376 0.000 0.904 93 L HN 0.245 nan 8.230 nan 0.000 0.435 94 F N 1.028 121.025 119.950 0.078 0.000 2.146 94 F HA -0.165 4.362 4.527 0.001 0.000 0.298 94 F C 2.406 178.148 175.800 -0.096 0.000 1.096 94 F CA 1.167 58.959 58.000 -0.347 0.000 1.275 94 F CB -0.217 38.312 39.000 -0.786 0.000 1.008 94 F HN -0.026 nan 8.300 nan 0.000 0.480 95 A N 0.807 123.632 122.820 0.008 0.000 1.898 95 A HA -0.126 4.195 4.320 0.001 0.000 0.216 95 A C 2.381 179.886 177.584 -0.132 0.000 1.181 95 A CA 1.561 53.549 52.037 -0.082 0.000 0.620 95 A CB -1.199 17.862 19.000 0.102 0.000 0.819 95 A HN 0.543 nan 8.150 nan 0.000 0.442 96 L N -0.760 120.453 121.223 -0.018 0.000 2.083 96 L HA -0.175 4.165 4.340 0.001 0.000 0.209 96 L C 2.905 179.843 176.870 0.114 0.000 1.083 96 L CA 1.406 56.255 54.840 0.016 0.000 0.752 96 L CB -0.510 41.544 42.059 -0.008 0.000 0.899 96 L HN 0.453 nan 8.230 nan 0.000 0.433 97 A N -0.648 122.244 122.820 0.121 0.000 1.902 97 A HA -0.176 4.144 4.320 0.001 0.000 0.217 97 A C 2.200 179.592 177.584 -0.321 0.000 1.181 97 A CA 1.846 53.777 52.037 -0.178 0.000 0.623 97 A CB -0.832 17.987 19.000 -0.302 0.000 0.818 97 A HN 0.298 nan 8.150 nan 0.000 0.443 98 V N -0.728 118.928 119.914 -0.431 0.000 2.287 98 V HA -0.342 3.778 4.120 0.001 0.000 0.248 98 V C 2.660 178.598 176.094 -0.260 0.000 1.053 98 V CA 2.146 64.207 62.300 -0.398 0.000 1.027 98 V CB -1.129 30.408 31.823 -0.477 0.000 0.646 98 V HN 0.714 nan 8.190 nan 0.000 0.447 99 C N 0.645 119.812 119.300 -0.222 0.000 2.422 99 C HA -0.108 4.353 4.460 0.001 0.000 0.279 99 C C 3.091 177.948 174.990 -0.222 0.000 1.305 99 C CA 1.375 60.283 59.018 -0.183 0.000 1.757 99 C CB -1.192 26.456 27.740 -0.153 0.000 1.962 99 C HN 0.755 nan 8.230 nan 0.000 0.499 100 S N -0.842 114.680 115.700 -0.298 0.000 2.603 100 S HA -0.010 4.461 4.470 0.001 0.000 0.220 100 S C 0.424 174.834 174.600 -0.317 0.000 0.967 100 S CA 0.331 58.217 58.200 -0.523 0.000 0.920 100 S CB -0.200 62.563 63.200 -0.729 0.000 0.773 100 S HN 0.759 nan 8.310 nan 0.000 0.529 101 Q N -0.709 118.961 119.800 -0.218 0.000 2.330 101 Q HA 0.515 4.856 4.340 0.001 0.000 0.269 101 Q C -0.081 175.858 176.000 -0.102 0.000 1.022 101 Q CA -0.242 55.476 55.803 -0.143 0.000 0.796 101 Q CB 1.214 29.845 28.738 -0.178 0.000 1.271 101 Q HN 0.338 nan 8.270 nan 0.000 0.450 102 C N 1.257 120.523 119.300 -0.056 0.000 5.390 102 C HA -0.255 4.206 4.460 0.001 0.000 0.309 102 C C 1.028 175.993 174.990 -0.041 0.000 2.188 102 C CA 1.031 60.026 59.018 -0.040 0.000 2.057 102 C CB -2.339 25.374 27.740 -0.046 0.000 2.844 102 C HN 0.882 nan 8.230 nan 0.000 0.448 103 S N 1.059 116.724 115.700 -0.059 0.000 2.587 103 S HA 0.310 4.780 4.470 0.001 0.000 0.260 103 S C 0.308 174.890 174.600 -0.030 0.000 1.353 103 S CA 0.314 58.481 58.200 -0.055 0.000 0.995 103 S CB 0.250 63.404 63.200 -0.077 0.000 0.912 103 S HN 0.722 nan 8.310 nan 0.000 0.568 104 D N -0.156 120.229 120.400 -0.026 0.000 2.419 104 D HA -0.013 4.627 4.640 0.001 0.000 0.236 104 D C 0.968 177.267 176.300 -0.002 0.000 1.165 104 D CA -0.461 53.532 54.000 -0.011 0.000 0.882 104 D CB 0.277 41.069 40.800 -0.013 0.000 1.201 104 D HN 0.254 nan 8.370 nan 0.000 0.443 105 I N 0.708 121.284 120.570 0.012 0.000 2.248 105 I HA -0.309 3.862 4.170 0.001 0.000 0.248 105 I C 1.763 177.897 176.117 0.028 0.000 1.107 105 I CA 1.700 63.017 61.300 0.028 0.000 1.373 105 I CB -0.246 37.771 38.000 0.029 0.000 1.055 105 I HN 0.361 nan 8.210 nan 0.000 0.418 106 K N -0.267 120.142 120.400 0.014 0.000 2.026 106 K HA -0.113 4.208 4.320 0.001 0.000 0.208 106 K C 2.109 178.711 176.600 0.003 0.000 1.048 106 K CA 2.035 58.329 56.287 0.012 0.000 0.929 106 K CB -1.112 31.390 32.500 0.004 0.000 0.713 106 K HN 0.367 nan 8.250 nan 0.000 0.439 107 T N 1.765 116.311 114.554 -0.013 0.000 2.684 107 T HA -0.158 4.193 4.350 0.001 0.000 0.267 107 T C 1.960 176.628 174.700 -0.052 0.000 1.036 107 T CA 1.587 63.665 62.100 -0.037 0.000 1.148 107 T CB -0.078 68.760 68.868 -0.051 0.000 0.863 107 T HN 0.299 nan 8.240 nan 0.000 0.436 108 K N 0.729 121.107 120.400 -0.037 0.000 2.063 108 K HA -0.160 4.161 4.320 0.001 0.000 0.208 108 K C 2.424 179.048 176.600 0.040 0.000 1.048 108 K CA 1.408 57.666 56.287 -0.048 0.000 0.928 108 K CB -0.083 32.441 32.500 0.040 0.000 0.713 108 K HN 0.417 nan 8.250 nan 0.000 0.442 109 Q N -0.400 119.459 119.800 0.099 0.000 2.119 109 Q HA -0.113 4.228 4.340 0.001 0.000 0.201 109 Q C 2.110 178.169 176.000 0.098 0.000 0.972 109 Q CA 1.365 57.256 55.803 0.146 0.000 0.847 109 Q CB -0.100 28.696 28.738 0.096 0.000 0.903 109 Q HN 0.403 nan 8.270 nan 0.000 0.433 110 A N 1.164 124.003 122.820 0.032 0.000 1.930 110 A HA -0.084 4.236 4.320 0.001 0.000 0.217 110 A C 2.298 179.870 177.584 -0.019 0.000 1.175 110 A CA 1.452 53.494 52.037 0.008 0.000 0.627 110 A CB -0.711 18.282 19.000 -0.012 0.000 0.815 110 A HN 0.384 nan 8.150 nan 0.000 0.443 111 A N -0.801 121.971 122.820 -0.079 0.000 1.865 111 A HA -0.074 4.247 4.320 0.001 0.000 0.217 111 A C 2.022 179.515 177.584 -0.152 0.000 1.191 111 A CA 1.539 53.474 52.037 -0.169 0.000 0.623 111 A CB -0.903 17.920 19.000 -0.295 0.000 0.826 111 A HN 0.510 nan 8.150 nan 0.000 0.444 112 F N -0.688 119.268 119.950 0.010 0.000 2.216 112 F HA -0.111 4.416 4.527 0.001 0.000 0.300 112 F C 2.516 178.311 175.800 -0.007 0.000 1.085 112 F CA 1.373 59.381 58.000 0.014 0.000 1.326 112 F CB -0.064 38.962 39.000 0.042 0.000 1.027 112 F HN 0.155 nan 8.300 nan 0.000 0.497 113 R N 0.466 121.064 120.500 0.163 0.000 2.148 113 R HA -0.087 4.253 4.340 0.001 0.000 0.227 113 R C 2.046 178.368 176.300 0.037 0.000 1.103 113 R CA 1.042 57.195 56.100 0.089 0.000 0.983 113 R CB -0.239 30.098 30.300 0.061 0.000 0.874 113 R HN 0.236 nan 8.270 nan 0.000 0.451 114 A N -0.167 122.652 122.820 -0.002 0.000 2.178 114 A HA 0.065 4.386 4.320 0.001 0.000 0.211 114 A C 1.970 179.507 177.584 -0.079 0.000 1.157 114 A CA 0.202 52.212 52.037 -0.045 0.000 0.780 114 A CB 0.090 19.047 19.000 -0.072 0.000 0.828 114 A HN 0.158 nan 8.150 nan 0.000 0.476 115 V N 1.669 121.536 119.914 -0.078 0.000 2.282 115 V HA -0.199 3.922 4.120 0.001 0.000 0.249 115 V C 0.138 176.235 176.094 0.005 0.000 1.057 115 V CA 2.695 64.919 62.300 -0.127 0.000 1.032 115 V CB -1.445 30.357 31.823 -0.035 0.000 0.645 115 V HN 0.486 nan 8.190 nan 0.000 0.447 116 P HA -0.180 nan 4.420 nan 0.000 0.216 116 P C 1.362 178.656 177.300 -0.010 0.000 1.150 116 P CA 1.612 64.731 63.100 0.031 0.000 0.837 116 P CB 0.027 31.714 31.700 -0.022 0.000 0.786 117 E N -0.513 119.675 120.200 -0.021 0.000 2.158 117 E HA -0.032 4.319 4.350 0.001 0.000 0.191 117 E C 2.095 178.680 176.600 -0.024 0.000 0.982 117 E CA 0.594 56.979 56.400 -0.026 0.000 0.823 117 E CB -0.207 29.477 29.700 -0.028 0.000 0.766 117 E HN 0.097 nan 8.360 nan 0.000 0.468 118 V N 0.646 120.529 119.914 -0.051 0.000 2.446 118 V HA -0.090 4.030 4.120 0.001 0.000 0.244 118 V C 1.151 177.198 176.094 -0.078 0.000 1.039 118 V CA 0.688 62.931 62.300 -0.094 0.000 1.045 118 V CB 0.191 31.919 31.823 -0.157 0.000 0.681 118 V HN 0.278 nan 8.190 nan 0.000 0.459 119 C N 1.909 121.210 119.300 0.002 0.000 2.145 119 C HA 0.328 4.788 4.460 0.001 0.000 0.374 119 C C 1.904 177.126 174.990 0.388 0.000 1.035 119 C CA -0.578 58.542 59.018 0.170 0.000 1.431 119 C CB -1.446 26.316 27.740 0.038 0.000 1.789 119 C HN 0.428 nan 8.230 nan 0.000 0.483 120 R N 1.625 122.377 120.500 0.419 0.000 2.100 120 R HA 0.152 4.492 4.340 0.001 0.000 0.220 120 R C 0.866 177.264 176.300 0.162 0.000 1.091 120 R CA 0.887 57.123 56.100 0.227 0.000 0.986 120 R CB 0.121 30.521 30.300 0.166 0.000 0.888 120 R HN 0.754 nan 8.270 nan 0.000 0.444 121 I N -3.053 117.496 120.570 -0.036 0.000 2.910 121 I HA 0.398 4.569 4.170 0.001 0.000 0.310 121 I C -2.272 173.629 176.117 -0.360 0.000 1.043 121 I CA -3.059 58.091 61.300 -0.250 0.000 1.053 121 I CB 1.907 39.524 38.000 -0.639 0.000 1.242 121 I HN -0.305 nan 8.210 nan 0.000 0.452 122 P HA -0.148 nan 4.420 nan 0.000 0.217 122 P C 1.398 178.096 177.300 -1.003 0.000 1.151 122 P CA 1.897 64.473 63.100 -0.873 0.000 0.849 122 P CB -0.024 31.402 31.700 -0.457 0.000 0.787 123 T N -1.989 112.174 114.554 -0.651 0.000 2.759 123 T HA -0.207 4.143 4.350 0.001 0.000 0.269 123 T C 1.464 176.092 174.700 -0.119 0.000 1.042 123 T CA 1.532 63.486 62.100 -0.242 0.000 1.140 123 T CB -1.104 67.627 68.868 -0.229 0.000 0.864 123 T HN 0.416 nan 8.240 nan 0.000 0.455 124 H N 0.245 119.193 119.070 -0.203 0.000 2.326 124 H HA 0.104 4.661 4.556 0.001 0.000 0.301 124 H C 2.411 177.654 175.328 -0.142 0.000 1.081 124 H CA 0.814 56.792 56.048 -0.115 0.000 1.334 124 H CB -0.116 29.590 29.762 -0.093 0.000 1.385 124 H HN 0.133 nan 8.280 nan 0.000 0.504 125 L N 0.338 121.420 121.223 -0.235 0.000 2.046 125 L HA -0.198 4.142 4.340 0.001 0.000 0.208 125 L C 1.980 178.750 176.870 -0.166 0.000 1.077 125 L CA 1.259 55.883 54.840 -0.359 0.000 0.747 125 L CB -0.291 41.181 42.059 -0.977 0.000 0.896 125 L HN 0.326 nan 8.230 nan 0.000 0.432 126 F N -0.560 119.272 119.950 -0.198 0.000 2.134 126 F HA -0.257 4.271 4.527 0.001 0.000 0.299 126 F C 2.547 178.243 175.800 -0.173 0.000 1.097 126 F CA 1.347 59.246 58.000 -0.169 0.000 1.264 126 F CB -0.553 38.414 39.000 -0.055 0.000 1.001 126 F HN 0.090 nan 8.300 nan 0.000 0.479 127 T N 0.466 115.073 114.554 0.089 0.000 2.777 127 T HA -0.225 4.126 4.350 0.001 0.000 0.266 127 T C 1.610 176.239 174.700 -0.117 0.000 1.040 127 T CA 1.297 63.345 62.100 -0.086 0.000 1.141 127 T CB -0.679 68.177 68.868 -0.020 0.000 0.868 127 T HN 0.289 nan 8.240 nan 0.000 0.444 128 F N 1.501 121.398 119.950 -0.087 0.000 2.095 128 F HA -0.093 4.434 4.527 0.001 0.000 0.298 128 F C 1.973 177.701 175.800 -0.120 0.000 1.104 128 F CA 1.254 59.242 58.000 -0.019 0.000 1.232 128 F CB -0.303 38.663 39.000 -0.058 0.000 0.987 128 F HN 0.045 nan 8.300 nan 0.000 0.475 129 I N 0.256 120.606 120.570 -0.367 0.000 2.286 129 I HA -0.278 3.892 4.170 0.001 0.000 0.248 129 I C 2.381 178.128 176.117 -0.615 0.000 1.115 129 I CA 1.387 62.274 61.300 -0.689 0.000 1.392 129 I CB -0.478 37.035 38.000 -0.811 0.000 1.065 129 I HN 0.277 nan 8.210 nan 0.000 0.418 130 Q N 0.939 120.485 119.800 -0.423 0.000 2.079 130 Q HA -0.175 4.165 4.340 0.001 0.000 0.200 130 Q C 2.011 178.011 176.000 0.001 0.000 0.974 130 Q CA 1.892 57.672 55.803 -0.037 0.000 0.840 130 Q CB -0.462 28.310 28.738 0.056 0.000 0.898 130 Q HN 0.506 nan 8.270 nan 0.000 0.430 131 F N 0.355 120.287 119.950 -0.031 0.000 2.171 131 F HA -0.155 4.373 4.527 0.001 0.000 0.300 131 F C 2.107 177.832 175.800 -0.126 0.000 1.090 131 F CA 0.935 58.944 58.000 0.014 0.000 1.293 131 F CB 0.020 39.066 39.000 0.078 0.000 1.013 131 F HN 0.081 nan 8.300 nan 0.000 0.486 132 K N 0.317 120.630 120.400 -0.144 0.000 2.147 132 K HA -0.218 4.102 4.320 0.001 0.000 0.205 132 K C 1.960 178.478 176.600 -0.136 0.000 1.049 132 K CA 1.180 57.300 56.287 -0.277 0.000 0.936 132 K CB -0.165 32.006 32.500 -0.548 0.000 0.722 132 K HN 0.175 nan 8.250 nan 0.000 0.446 133 K N 1.103 121.472 120.400 -0.052 0.000 2.062 133 K HA -0.149 4.171 4.320 0.001 0.000 0.205 133 K C 1.308 177.972 176.600 0.107 0.000 1.051 133 K CA 1.586 57.920 56.287 0.079 0.000 0.941 133 K CB 0.144 32.796 32.500 0.255 0.000 0.719 133 K HN 0.037 nan 8.250 nan 0.000 0.440 134 D N 0.952 121.442 120.400 0.149 0.000 2.144 134 D HA -0.139 4.502 4.640 0.001 0.000 0.200 134 D C 1.840 178.215 176.300 0.126 0.000 0.978 134 D CA 0.956 55.059 54.000 0.171 0.000 0.833 134 D CB 0.023 40.991 40.800 0.279 0.000 0.961 134 D HN 0.270 nan 8.370 nan 0.000 0.470 135 L N 0.586 121.862 121.223 0.089 0.000 2.552 135 L HA -0.027 4.314 4.340 0.001 0.000 0.227 135 L C 2.305 179.175 176.870 0.001 0.000 1.146 135 L CA 0.322 55.178 54.840 0.026 0.000 0.858 135 L CB -0.115 41.904 42.059 -0.066 0.000 0.969 135 L HN -0.083 nan 8.230 nan 0.000 0.451 136 K N 0.342 120.750 120.400 0.013 0.000 2.211 136 K HA -0.219 4.102 4.320 0.001 0.000 0.204 136 K C 1.553 178.166 176.600 0.022 0.000 1.047 136 K CA 1.516 57.810 56.287 0.012 0.000 0.935 136 K CB 0.293 32.814 32.500 0.036 0.000 0.728 136 K HN 0.319 nan 8.250 nan 0.000 0.452 137 E N -1.434 118.785 120.200 0.032 0.000 2.110 137 E HA 0.061 4.411 4.350 0.001 0.000 0.193 137 E C 1.906 178.519 176.600 0.021 0.000 0.950 137 E CA 0.902 57.319 56.400 0.029 0.000 0.840 137 E CB -0.692 29.030 29.700 0.037 0.000 0.809 137 E HN 0.305 nan 8.360 nan 0.000 0.465 138 G N 0.747 109.562 108.800 0.025 0.000 2.450 138 G HA2 -0.239 3.722 3.960 0.001 0.000 0.220 138 G HA3 -0.239 3.722 3.960 0.001 0.000 0.220 138 G C 1.309 176.210 174.900 0.002 0.000 1.130 138 G CA 0.770 45.880 45.100 0.018 0.000 0.760 138 G HN 0.150 nan 8.290 nan 0.000 0.557 139 M N -0.097 119.499 119.600 -0.008 0.000 2.475 139 M HA 0.241 4.722 4.480 0.001 0.000 0.261 139 M C 0.015 176.305 176.300 -0.016 0.000 1.177 139 M CA -0.158 55.127 55.300 -0.024 0.000 0.979 139 M CB 0.399 32.969 32.600 -0.050 0.000 1.482 139 M HN 0.005 nan 8.290 nan 0.000 0.484 140 K N 1.255 121.652 120.400 -0.004 0.000 3.777 140 K HA -0.204 4.117 4.320 0.001 0.000 0.276 140 K C -0.818 175.783 176.600 0.001 0.000 0.877 140 K CA 0.387 56.676 56.287 0.002 0.000 0.724 140 K CB -1.979 30.523 32.500 0.002 0.000 1.589 140 K HN 0.688 nan 8.250 nan 0.000 0.444 141 C N -3.172 116.129 119.300 0.001 0.000 3.284 141 C HA 0.726 5.187 4.460 0.001 0.000 0.338 141 C C 0.843 175.835 174.990 0.004 0.000 1.237 141 C CA -0.574 58.445 59.018 0.001 0.000 1.276 141 C CB 1.070 28.802 27.740 -0.013 0.000 1.601 141 C HN 0.519 nan 8.230 nan 0.000 0.494 142 G N 1.147 109.957 108.800 0.018 0.000 2.563 142 G HA2 0.558 4.519 3.960 0.001 0.000 0.283 142 G HA3 0.558 4.519 3.960 0.001 0.000 0.283 142 G C 0.293 175.181 174.900 -0.021 0.000 1.309 142 G CA -0.153 44.965 45.100 0.031 0.000 1.022 142 G HN 1.511 nan 8.290 nan 0.000 0.501 143 M N -3.248 116.313 119.600 -0.064 0.000 2.260 143 M HA 0.352 4.832 4.480 0.001 0.000 0.295 143 M C 0.250 176.333 176.300 -0.363 0.000 1.042 143 M CA -0.203 54.945 55.300 -0.253 0.000 1.116 143 M CB 0.908 33.251 32.600 -0.429 0.000 1.796 143 M HN 0.406 nan 8.290 nan 0.000 0.617 144 W N 3.677 125.006 121.300 0.047 0.000 2.666 144 W HA 0.552 5.212 4.660 0.001 0.000 0.445 144 W C 1.015 177.558 176.519 0.039 0.000 0.693 144 W CA -0.535 56.840 57.345 0.049 0.000 2.192 144 W CB -0.275 29.229 29.460 0.073 0.000 1.086 144 W HN 0.285 nan 8.180 nan 0.000 0.747 145 G N 0.235 109.109 108.800 0.125 0.000 2.653 145 G HA2 0.027 3.988 3.960 0.001 0.000 0.265 145 G HA3 0.027 3.988 3.960 0.001 0.000 0.265 145 G C 0.885 175.829 174.900 0.072 0.000 1.237 145 G CA -0.605 44.550 45.100 0.092 0.000 0.946 145 G HN 0.299 nan 8.290 nan 0.000 0.522 146 R N -0.383 120.140 120.500 0.039 0.000 2.127 146 R HA -0.118 4.222 4.340 0.001 0.000 0.238 146 R C 2.773 179.026 176.300 -0.077 0.000 1.134 146 R CA 1.629 57.738 56.100 0.014 0.000 0.975 146 R CB -0.389 29.917 30.300 0.010 0.000 0.865 146 R HN 0.532 nan 8.270 nan 0.000 0.447 147 A N 0.962 123.674 122.820 -0.180 0.000 1.902 147 A HA -0.168 4.153 4.320 0.001 0.000 0.217 147 A C 2.119 179.213 177.584 -0.817 0.000 1.181 147 A CA 1.079 52.825 52.037 -0.485 0.000 0.623 147 A CB -0.570 18.113 19.000 -0.529 0.000 0.818 147 A HN 0.399 nan 8.150 nan 0.000 0.443 148 L N -0.849 120.010 121.223 -0.607 0.000 2.109 148 L HA -0.135 4.206 4.340 0.001 0.000 0.207 148 L C 2.766 179.615 176.870 -0.035 0.000 1.086 148 L CA 1.290 55.899 54.840 -0.386 0.000 0.760 148 L CB -0.420 41.469 42.059 -0.283 0.000 0.910 148 L HN 0.426 nan 8.230 nan 0.000 0.437 149 R N -0.055 120.518 120.500 0.121 0.000 2.081 149 R HA -0.234 4.106 4.340 0.001 0.000 0.235 149 R C 2.211 178.600 176.300 0.149 0.000 1.131 149 R CA 1.563 57.820 56.100 0.262 0.000 0.960 149 R CB -0.270 30.181 30.300 0.252 0.000 0.856 149 R HN 0.166 nan 8.270 nan 0.000 0.436 150 K N 1.117 121.536 120.400 0.032 0.000 2.057 150 K HA -0.022 4.298 4.320 0.001 0.000 0.206 150 K C 1.896 178.523 176.600 0.045 0.000 1.050 150 K CA 1.560 57.862 56.287 0.026 0.000 0.935 150 K CB -0.286 32.194 32.500 -0.034 0.000 0.715 150 K HN 0.112 nan 8.250 nan 0.000 0.439 151 A N 0.195 122.998 122.820 -0.028 0.000 1.902 151 A HA -0.079 4.242 4.320 0.001 0.000 0.217 151 A C 2.300 180.002 177.584 0.196 0.000 1.181 151 A CA 1.810 53.889 52.037 0.070 0.000 0.623 151 A CB -0.730 18.311 19.000 0.068 0.000 0.818 151 A HN 0.130 nan 8.150 nan 0.000 0.443 152 V N -0.277 119.770 119.914 0.220 0.000 2.358 152 V HA -0.185 3.935 4.120 0.001 0.000 0.246 152 V C 2.758 179.111 176.094 0.432 0.000 1.047 152 V CA 2.183 64.676 62.300 0.321 0.000 1.035 152 V CB -0.755 31.289 31.823 0.369 0.000 0.658 152 V HN 0.545 nan 8.190 nan 0.000 0.452 153 S N 0.126 116.023 115.700 0.327 0.000 2.370 153 S HA -0.222 4.248 4.470 0.001 0.000 0.226 153 S C 1.732 176.516 174.600 0.306 0.000 1.033 153 S CA 1.699 60.086 58.200 0.311 0.000 1.011 153 S CB -0.406 62.913 63.200 0.198 0.000 0.852 153 S HN 0.618 nan 8.310 nan 0.000 0.457 154 D N -0.093 120.446 120.400 0.232 0.000 2.144 154 D HA -0.081 4.560 4.640 0.001 0.000 0.200 154 D C 1.363 177.768 176.300 0.174 0.000 0.978 154 D CA 0.531 54.632 54.000 0.169 0.000 0.833 154 D CB -0.338 40.532 40.800 0.116 0.000 0.961 154 D HN 0.524 nan 8.370 nan 0.000 0.470 155 W N 0.467 121.781 121.300 0.024 0.000 2.321 155 W HA -0.283 4.378 4.660 0.001 0.000 0.306 155 W C 1.787 178.199 176.519 -0.177 0.000 1.217 155 W CA 1.620 58.896 57.345 -0.115 0.000 1.257 155 W CB -0.382 28.947 29.460 -0.218 0.000 1.145 155 W HN 0.026 nan 8.180 nan 0.000 0.509 156 Y N -0.486 120.040 120.300 0.378 0.000 2.231 156 Y HA -0.099 4.451 4.550 0.001 0.000 0.294 156 Y C 2.427 178.375 175.900 0.080 0.000 1.120 156 Y CA 1.459 59.710 58.100 0.251 0.000 1.141 156 Y CB -1.035 37.607 38.460 0.304 0.000 1.022 156 Y HN -0.190 nan 8.280 nan 0.000 0.523 157 N N -0.375 118.474 118.700 0.248 0.000 2.520 157 N HA -0.097 4.644 4.740 0.001 0.000 0.185 157 N C 1.432 176.972 175.510 0.049 0.000 1.068 157 N CA 1.618 54.749 53.050 0.135 0.000 0.911 157 N CB -0.401 38.164 38.487 0.129 0.000 0.961 157 N HN 0.453 nan 8.380 nan 0.000 0.446 158 T N -3.190 111.361 114.554 -0.005 0.000 3.122 158 T HA 0.226 4.577 4.350 0.001 0.000 0.250 158 T C 0.563 175.198 174.700 -0.110 0.000 1.067 158 T CA -0.111 61.956 62.100 -0.056 0.000 0.966 158 T CB 0.408 69.231 68.868 -0.075 0.000 1.002 158 T HN -0.098 nan 8.240 nan 0.000 0.542 159 K N 1.853 122.180 120.400 -0.122 0.000 2.123 159 K HA 0.391 4.712 4.320 0.001 0.000 0.259 159 K C -0.818 175.732 176.600 -0.083 0.000 0.960 159 K CA -0.833 55.359 56.287 -0.158 0.000 0.872 159 K CB 1.413 33.754 32.500 -0.264 0.000 1.079 159 K HN 0.135 nan 8.250 nan 0.000 0.440 160 D N 1.291 121.636 120.400 -0.090 0.000 2.458 160 D HA 0.025 4.666 4.640 0.001 0.000 0.243 160 D C 0.980 177.246 176.300 -0.057 0.000 1.146 160 D CA 0.238 54.200 54.000 -0.065 0.000 0.877 160 D CB 1.157 41.913 40.800 -0.074 0.000 1.176 160 D HN 0.552 nan 8.370 nan 0.000 0.461 161 A N 3.859 126.660 122.820 -0.032 0.000 1.892 161 A HA -0.209 4.111 4.320 0.001 0.000 0.218 161 A C 1.949 179.496 177.584 -0.062 0.000 1.188 161 A CA 1.427 53.451 52.037 -0.021 0.000 0.631 161 A CB -0.782 18.214 19.000 -0.006 0.000 0.822 161 A HN 0.675 nan 8.150 nan 0.000 0.447 162 L N 0.404 121.571 121.223 -0.094 0.000 2.046 162 L HA -0.148 4.193 4.340 0.001 0.000 0.208 162 L C 1.860 178.588 176.870 -0.238 0.000 1.077 162 L CA 2.185 56.919 54.840 -0.176 0.000 0.747 162 L CB -0.878 41.088 42.059 -0.155 0.000 0.896 162 L HN 0.360 nan 8.230 nan 0.000 0.432 163 N N -0.456 118.147 118.700 -0.162 0.000 2.188 163 N HA -0.175 4.566 4.740 0.001 0.000 0.184 163 N C 1.954 177.400 175.510 -0.106 0.000 1.018 163 N CA 1.353 54.315 53.050 -0.146 0.000 0.858 163 N CB -0.330 38.087 38.487 -0.118 0.000 0.989 163 N HN 0.386 nan 8.380 nan 0.000 0.426 164 L N 0.995 122.174 121.223 -0.074 0.000 2.083 164 L HA -0.103 4.238 4.340 0.001 0.000 0.209 164 L C 2.128 179.012 176.870 0.024 0.000 1.083 164 L CA 1.052 55.893 54.840 0.000 0.000 0.752 164 L CB -0.415 41.679 42.059 0.057 0.000 0.899 164 L HN 0.080 nan 8.230 nan 0.000 0.433 165 A N -0.343 122.452 122.820 -0.042 0.000 1.933 165 A HA -0.276 4.044 4.320 0.001 0.000 0.218 165 A C 2.252 179.864 177.584 0.047 0.000 1.175 165 A CA 1.853 53.875 52.037 -0.025 0.000 0.628 165 A CB -0.552 18.392 19.000 -0.093 0.000 0.814 165 A HN 0.490 nan 8.150 nan 0.000 0.444 166 M N 0.168 119.702 119.600 -0.110 0.000 2.099 166 M HA -0.086 4.395 4.480 0.001 0.000 0.262 166 M C 2.243 178.646 176.300 0.172 0.000 1.067 166 M CA 2.106 57.437 55.300 0.051 0.000 1.124 166 M CB -1.091 31.460 32.600 -0.081 0.000 1.353 166 M HN 0.393 nan 8.290 nan 0.000 0.410 167 A N 0.173 123.080 122.820 0.145 0.000 1.902 167 A HA -0.120 4.200 4.320 0.001 0.000 0.217 167 A C 2.097 179.865 177.584 0.308 0.000 1.181 167 A CA 2.473 54.674 52.037 0.274 0.000 0.623 167 A CB -1.389 17.757 19.000 0.244 0.000 0.818 167 A HN 0.578 nan 8.150 nan 0.000 0.443 168 V N -1.974 118.026 119.914 0.143 0.000 3.041 168 V HA -0.069 4.052 4.120 0.001 0.000 0.260 168 V C 2.017 178.271 176.094 0.267 0.000 1.105 168 V CA 2.210 64.534 62.300 0.041 0.000 1.125 168 V CB -1.382 30.382 31.823 -0.098 0.000 0.730 168 V HN 0.658 nan 8.190 nan 0.000 0.479 169 T N -2.680 112.033 114.554 0.264 0.000 3.040 169 T HA 0.069 4.419 4.350 0.001 0.000 0.252 169 T C 1.799 176.532 174.700 0.054 0.000 1.064 169 T CA 0.994 63.254 62.100 0.267 0.000 1.110 169 T CB -0.064 69.021 68.868 0.362 0.000 0.921 169 T HN 0.516 nan 8.240 nan 0.000 0.480 170 K N 0.501 120.859 120.400 -0.070 0.000 2.076 170 K HA 0.015 4.335 4.320 0.001 0.000 0.204 170 K C -0.368 176.004 176.600 -0.379 0.000 1.051 170 K CA 0.727 56.741 56.287 -0.455 0.000 0.949 170 K CB 0.089 32.270 32.500 -0.532 0.000 0.726 170 K HN 0.479 nan 8.250 nan 0.000 0.443 171 Y N 0.953 121.350 120.300 0.161 0.000 2.837 171 Y HA 0.241 4.791 4.550 0.001 0.000 0.356 171 Y C 0.682 176.848 175.900 0.443 0.000 1.035 171 Y CA -0.707 57.551 58.100 0.263 0.000 1.165 171 Y CB 1.309 39.938 38.460 0.283 0.000 1.147 171 Y HN -0.072 nan 8.280 nan 0.000 0.628 172 K N 1.339 121.983 120.400 0.408 0.000 2.097 172 K HA -0.101 4.220 4.320 0.001 0.000 0.206 172 K C 0.378 177.181 176.600 0.338 0.000 1.049 172 K CA 1.344 57.873 56.287 0.404 0.000 0.933 172 K CB 0.369 33.001 32.500 0.219 0.000 0.717 172 K HN 0.599 nan 8.250 nan 0.000 0.442 173 Q N -0.301 119.616 119.800 0.196 0.000 2.438 173 Q HA 0.329 4.670 4.340 0.001 0.000 0.272 173 Q C -1.459 174.523 176.000 -0.031 0.000 0.994 173 Q CA -0.925 54.805 55.803 -0.122 0.000 0.887 173 Q CB 1.403 30.033 28.738 -0.179 0.000 1.432 173 Q HN -0.046 nan 8.270 nan 0.000 0.392 174 R N 1.420 121.813 120.500 -0.178 0.000 2.764 174 R HA 0.391 4.731 4.340 0.001 0.000 0.270 174 R C -0.540 175.765 176.300 0.008 0.000 1.014 174 R CA -0.963 55.178 56.100 0.068 0.000 0.904 174 R CB 0.615 31.106 30.300 0.319 0.000 1.236 174 R HN 0.869 nan 8.270 nan 0.000 0.466 175 N N 0.554 119.288 118.700 0.056 0.000 2.701 175 N HA -0.253 4.488 4.740 0.001 0.000 0.252 175 N C 0.818 176.373 175.510 0.075 0.000 1.002 175 N CA 1.788 54.873 53.050 0.060 0.000 0.758 175 N CB -0.841 37.693 38.487 0.080 0.000 0.937 175 N HN 1.018 nan 8.380 nan 0.000 0.538 176 G N -3.883 104.882 108.800 -0.059 0.000 2.241 176 G HA2 -0.303 3.657 3.960 0.001 0.000 0.244 176 G HA3 -0.303 3.657 3.960 0.001 0.000 0.244 176 G C -0.173 174.427 174.900 -0.500 0.000 0.998 176 G CA 0.151 45.119 45.100 -0.220 0.000 0.621 176 G HN 0.322 nan 8.290 nan 0.000 0.519 177 W N 1.437 122.494 121.300 -0.405 0.000 2.689 177 W HA 0.743 5.403 4.660 0.001 0.000 0.340 177 W C 0.549 176.438 176.519 -1.050 0.000 1.060 177 W CA -0.184 56.830 57.345 -0.553 0.000 1.218 177 W CB 1.722 30.957 29.460 -0.375 0.000 1.410 177 W HN 0.568 nan 8.180 nan 0.000 0.528 178 S N -0.651 114.781 115.700 -0.447 0.000 2.689 178 S HA 0.369 4.840 4.470 0.001 0.000 0.306 178 S C 0.207 174.787 174.600 -0.035 0.000 1.104 178 S CA -0.558 57.424 58.200 -0.364 0.000 0.973 178 S CB 1.344 64.469 63.200 -0.124 0.000 1.121 178 S HN 0.596 nan 8.310 nan 0.000 0.523 179 H N 0.306 119.567 119.070 0.318 0.000 2.457 179 H HA 0.097 4.653 4.556 0.001 0.000 0.294 179 H C 2.025 177.458 175.328 0.175 0.000 1.064 179 H CA 1.718 58.011 56.048 0.409 0.000 1.330 179 H CB 0.082 30.098 29.762 0.424 0.000 1.395 179 H HN 0.667 nan 8.280 nan 0.000 0.541 180 K N 0.645 121.165 120.400 0.199 0.000 2.026 180 K HA -0.181 4.139 4.320 0.001 0.000 0.208 180 K C 1.205 177.830 176.600 0.041 0.000 1.048 180 K CA 1.828 58.159 56.287 0.075 0.000 0.929 180 K CB 0.077 32.591 32.500 0.024 0.000 0.713 180 K HN 0.232 nan 8.250 nan 0.000 0.439 181 D N 1.084 121.520 120.400 0.060 0.000 2.116 181 D HA -0.196 4.444 4.640 0.001 0.000 0.193 181 D C 2.022 178.400 176.300 0.131 0.000 0.998 181 D CA 1.149 55.196 54.000 0.078 0.000 0.836 181 D CB -0.244 40.637 40.800 0.135 0.000 0.951 181 D HN 0.256 nan 8.370 nan 0.000 0.449 182 L N -0.089 121.277 121.223 0.238 0.000 2.056 182 L HA -0.161 4.180 4.340 0.001 0.000 0.207 182 L C 2.398 179.296 176.870 0.046 0.000 1.078 182 L CA 0.442 55.424 54.840 0.237 0.000 0.749 182 L CB -0.300 42.001 42.059 0.405 0.000 0.901 182 L HN 0.057 nan 8.230 nan 0.000 0.433 183 L N -0.284 120.923 121.223 -0.028 0.000 2.046 183 L HA -0.159 4.182 4.340 0.001 0.000 0.208 183 L C 2.724 179.472 176.870 -0.203 0.000 1.077 183 L CA 1.648 56.412 54.840 -0.127 0.000 0.747 183 L CB -0.648 41.333 42.059 -0.131 0.000 0.896 183 L HN 0.107 nan 8.230 nan 0.000 0.432 184 R N -0.955 119.420 120.500 -0.208 0.000 2.081 184 R HA -0.098 4.242 4.340 0.001 0.000 0.235 184 R C 2.137 178.054 176.300 -0.639 0.000 1.131 184 R CA 1.185 57.089 56.100 -0.327 0.000 0.960 184 R CB -0.353 29.825 30.300 -0.204 0.000 0.856 184 R HN 0.317 nan 8.270 nan 0.000 0.436 185 L N 0.091 120.963 121.223 -0.585 0.000 2.270 185 L HA -0.022 4.319 4.340 0.001 0.000 0.210 185 L C 2.388 178.807 176.870 -0.751 0.000 1.104 185 L CA 0.851 55.148 54.840 -0.905 0.000 0.804 185 L CB -0.178 41.039 42.059 -1.403 0.000 0.937 185 L HN 0.248 nan 8.230 nan 0.000 0.450 186 S N -2.435 113.031 115.700 -0.389 0.000 2.478 186 S HA -0.108 4.363 4.470 0.001 0.000 0.222 186 S C 0.865 175.500 174.600 0.058 0.000 1.008 186 S CA -0.048 58.151 58.200 -0.001 0.000 0.928 186 S CB -0.214 63.082 63.200 0.161 0.000 0.781 186 S HN 0.476 nan 8.310 nan 0.000 0.518 187 H N 0.392 119.447 119.070 -0.025 0.000 2.791 187 H HA -0.125 4.431 4.556 0.001 0.000 0.302 187 H C 0.244 175.584 175.328 0.020 0.000 1.198 187 H CA 0.901 56.941 56.048 -0.012 0.000 1.145 187 H CB -2.225 27.528 29.762 -0.015 0.000 1.385 187 H HN 0.629 nan 8.280 nan 0.000 0.409 188 I N 0.811 121.428 120.570 0.079 0.000 2.932 188 I HA -0.039 4.132 4.170 0.001 0.000 0.295 188 I C 0.831 176.994 176.117 0.078 0.000 1.227 188 I CA 0.714 62.069 61.300 0.091 0.000 1.429 188 I CB 0.322 38.368 38.000 0.076 0.000 1.339 188 I HN 0.179 nan 8.210 nan 0.000 0.589 189 K N 8.327 128.777 120.400 0.083 0.000 2.449 189 K HA 0.486 4.806 4.320 0.001 0.000 0.257 189 K C -2.462 174.182 176.600 0.073 0.000 0.989 189 K CA -1.844 54.485 56.287 0.069 0.000 0.916 189 K CB 1.196 33.733 32.500 0.063 0.000 1.136 189 K HN 0.330 nan 8.250 nan 0.000 0.439 190 P HA -0.097 nan 4.420 nan 0.000 0.261 190 P C -0.270 177.073 177.300 0.072 0.000 1.173 190 P CA 0.267 63.415 63.100 0.079 0.000 0.760 190 P CB 0.971 32.719 31.700 0.079 0.000 0.783 191 A N 3.612 126.477 122.820 0.075 0.000 2.169 191 A HA 0.020 4.340 4.320 0.001 0.000 0.212 191 A C 0.790 178.405 177.584 0.052 0.000 1.153 191 A CA 0.743 52.816 52.037 0.060 0.000 0.756 191 A CB -0.598 18.437 19.000 0.057 0.000 0.813 191 A HN 0.765 nan 8.150 nan 0.000 0.471 192 N N -2.590 116.146 118.700 0.059 0.000 3.179 192 N HA 0.099 4.840 4.740 0.001 0.000 0.250 192 N C 0.078 175.631 175.510 0.072 0.000 1.507 192 N CA -0.309 52.775 53.050 0.056 0.000 0.883 192 N CB 0.497 39.011 38.487 0.044 0.000 1.435 192 N HN -0.172 nan 8.380 nan 0.000 0.532 193 E N 0.508 120.753 120.200 0.076 0.000 2.110 193 E HA -0.003 4.347 4.350 0.001 0.000 0.193 193 E C 1.805 178.467 176.600 0.103 0.000 0.988 193 E CA 2.237 58.703 56.400 0.109 0.000 0.804 193 E CB -0.858 28.912 29.700 0.115 0.000 0.745 193 E HN 0.731 nan 8.360 nan 0.000 0.458 194 G N 0.440 109.277 108.800 0.061 0.000 2.418 194 G HA2 -0.210 3.750 3.960 0.001 0.000 0.217 194 G HA3 -0.210 3.750 3.960 0.001 0.000 0.217 194 G C 1.576 176.510 174.900 0.056 0.000 1.158 194 G CA 0.886 46.008 45.100 0.036 0.000 0.771 194 G HN 0.305 nan 8.290 nan 0.000 0.545 195 L N 0.326 121.593 121.223 0.073 0.000 2.093 195 L HA -0.053 4.288 4.340 0.001 0.000 0.208 195 L C 3.149 180.083 176.870 0.107 0.000 1.085 195 L CA 1.383 56.279 54.840 0.094 0.000 0.755 195 L CB -0.847 41.270 42.059 0.097 0.000 0.904 195 L HN 0.143 nan 8.230 nan 0.000 0.435 196 T N -0.081 114.543 114.554 0.117 0.000 2.708 196 T HA -0.281 4.069 4.350 0.001 0.000 0.266 196 T C 1.863 176.675 174.700 0.187 0.000 1.037 196 T CA 1.770 63.955 62.100 0.141 0.000 1.146 196 T CB -0.202 68.758 68.868 0.153 0.000 0.865 196 T HN 0.281 nan 8.240 nan 0.000 0.435 197 M N 0.898 120.613 119.600 0.192 0.000 2.065 197 M HA -0.147 4.333 4.480 0.001 0.000 0.259 197 M C 2.183 178.578 176.300 0.159 0.000 1.069 197 M CA 1.756 57.137 55.300 0.134 0.000 1.110 197 M CB -0.370 32.153 32.600 -0.128 0.000 1.328 197 M HN 0.088 nan 8.290 nan 0.000 0.405 198 V N 0.927 120.921 119.914 0.133 0.000 2.343 198 V HA -0.260 3.860 4.120 0.001 0.000 0.247 198 V C 2.717 178.936 176.094 0.208 0.000 1.051 198 V CA 1.927 64.334 62.300 0.179 0.000 1.036 198 V CB -1.642 30.262 31.823 0.135 0.000 0.654 198 V HN 0.684 nan 8.190 nan 0.000 0.451 199 A N -0.333 122.571 122.820 0.141 0.000 1.908 199 A HA -0.291 4.030 4.320 0.001 0.000 0.218 199 A C 2.356 180.006 177.584 0.111 0.000 1.181 199 A CA 2.301 54.392 52.037 0.090 0.000 0.627 199 A CB -0.497 18.537 19.000 0.058 0.000 0.818 199 A HN 0.526 nan 8.150 nan 0.000 0.445 200 K N -1.871 118.621 120.400 0.153 0.000 2.097 200 K HA -0.173 4.148 4.320 0.001 0.000 0.205 200 K C 1.916 178.613 176.600 0.162 0.000 1.050 200 K CA 1.582 57.958 56.287 0.148 0.000 0.938 200 K CB -0.338 32.282 32.500 0.199 0.000 0.718 200 K HN 0.602 nan 8.250 nan 0.000 0.442 201 Y N 0.578 120.950 120.300 0.120 0.000 2.163 201 Y HA -0.213 4.338 4.550 0.001 0.000 0.288 201 Y C 1.761 177.736 175.900 0.126 0.000 1.136 201 Y CA 1.397 59.587 58.100 0.150 0.000 1.147 201 Y CB -0.182 38.390 38.460 0.187 0.000 0.987 201 Y HN -0.193 nan 8.280 nan 0.000 0.509 202 V N -0.445 119.515 119.914 0.077 0.000 2.407 202 V HA -0.271 3.849 4.120 0.001 0.000 0.248 202 V C 2.295 178.364 176.094 -0.041 0.000 1.055 202 V CA 2.151 64.454 62.300 0.004 0.000 1.049 202 V CB -0.680 31.224 31.823 0.134 0.000 0.662 202 V HN 0.439 nan 8.190 nan 0.000 0.455 203 S N -0.762 114.930 115.700 -0.014 0.000 2.388 203 S HA -0.012 4.459 4.470 0.001 0.000 0.223 203 S C 1.772 176.348 174.600 -0.040 0.000 1.034 203 S CA 0.781 58.968 58.200 -0.022 0.000 0.963 203 S CB -0.019 63.177 63.200 -0.006 0.000 0.827 203 S HN 0.459 nan 8.310 nan 0.000 0.481 204 K N 0.258 120.634 120.400 -0.041 0.000 2.412 204 K HA 0.373 4.693 4.320 0.001 0.000 0.202 204 K C 0.809 177.374 176.600 -0.059 0.000 1.102 204 K CA 0.534 56.797 56.287 -0.040 0.000 1.027 204 K CB 0.874 33.364 32.500 -0.015 0.000 0.931 204 K HN 0.375 nan 8.250 nan 0.000 0.557 205 G N 0.983 109.711 108.800 -0.121 0.000 2.663 205 G HA2 -0.230 3.731 3.960 0.001 0.000 0.686 205 G HA3 -0.230 3.731 3.960 0.001 0.000 0.686 205 G C 0.273 175.224 174.900 0.084 0.000 1.288 205 G CA -0.212 44.814 45.100 -0.123 0.000 0.836 205 G HN 0.192 nan 8.290 nan 0.000 0.584 206 W N 1.085 122.404 121.300 0.031 0.000 2.317 206 W HA -0.197 4.464 4.660 0.001 0.000 0.318 206 W C 2.280 178.864 176.519 0.108 0.000 1.227 206 W CA 2.212 59.670 57.345 0.188 0.000 1.269 206 W CB -0.084 29.487 29.460 0.185 0.000 1.155 206 W HN 0.598 nan 8.180 nan 0.000 0.484 207 K N 0.550 120.911 120.400 -0.065 0.000 2.059 207 K HA -0.280 4.040 4.320 0.001 0.000 0.212 207 K C 1.583 178.061 176.600 -0.204 0.000 1.050 207 K CA 2.307 58.480 56.287 -0.192 0.000 0.927 207 K CB -1.141 31.334 32.500 -0.043 0.000 0.714 207 K HN 0.293 nan 8.250 nan 0.000 0.447 208 E N 1.088 121.227 120.200 -0.102 0.000 2.058 208 E HA -0.137 4.213 4.350 0.001 0.000 0.194 208 E C 1.940 178.498 176.600 -0.070 0.000 0.997 208 E CA 1.376 57.736 56.400 -0.067 0.000 0.801 208 E CB -0.154 29.534 29.700 -0.020 0.000 0.746 208 E HN 0.031 nan 8.360 nan 0.000 0.450 209 V N 0.763 120.637 119.914 -0.068 0.000 2.332 209 V HA -0.289 3.831 4.120 0.001 0.000 0.248 209 V C 2.618 178.636 176.094 -0.127 0.000 1.055 209 V CA 2.270 64.570 62.300 0.000 0.000 1.038 209 V CB -0.728 31.109 31.823 0.024 0.000 0.651 209 V HN 0.382 nan 8.190 nan 0.000 0.450 210 Q N -0.218 119.272 119.800 -0.516 0.000 2.050 210 Q HA -0.293 4.048 4.340 0.001 0.000 0.202 210 Q C 2.347 178.233 176.000 -0.190 0.000 0.980 210 Q CA 2.233 57.737 55.803 -0.500 0.000 0.840 210 Q CB -0.098 28.204 28.738 -0.726 0.000 0.898 210 Q HN 0.685 nan 8.270 nan 0.000 0.424 211 E N -0.001 120.102 120.200 -0.162 0.000 2.110 211 E HA -0.146 4.204 4.350 0.001 0.000 0.193 211 E C 1.607 178.161 176.600 -0.075 0.000 0.988 211 E CA 1.428 57.771 56.400 -0.096 0.000 0.804 211 E CB -0.293 29.355 29.700 -0.086 0.000 0.745 211 E HN 0.415 nan 8.360 nan 0.000 0.458 212 A N -0.593 122.188 122.820 -0.066 0.000 1.933 212 A HA -0.139 4.181 4.320 0.001 0.000 0.218 212 A C 1.417 178.838 177.584 -0.273 0.000 1.175 212 A CA 1.422 53.372 52.037 -0.145 0.000 0.628 212 A CB -0.640 18.287 19.000 -0.120 0.000 0.814 212 A HN 0.438 nan 8.150 nan 0.000 0.444 213 Y N 0.420 120.673 120.300 -0.077 0.000 2.485 213 Y HA 0.166 4.716 4.550 0.001 0.000 0.260 213 Y C 0.798 176.671 175.900 -0.045 0.000 1.173 213 Y CA -0.183 57.887 58.100 -0.050 0.000 1.252 213 Y CB -0.032 38.403 38.460 -0.041 0.000 1.123 213 Y HN 0.363 nan 8.280 nan 0.000 0.524 214 K N 0.048 120.467 120.400 0.032 0.000 2.382 214 K HA 0.061 4.381 4.320 0.001 0.000 0.275 214 K C 0.134 176.739 176.600 0.008 0.000 1.009 214 K CA -0.037 56.259 56.287 0.015 0.000 0.970 214 K CB 0.546 33.037 32.500 -0.014 0.000 0.934 214 K HN 0.048 nan 8.250 nan 0.000 0.479 215 E N -0.936 119.275 120.200 0.018 0.000 3.253 215 E HA -0.228 4.122 4.350 0.001 0.000 0.284 215 E C -0.986 175.622 176.600 0.014 0.000 0.958 215 E CA 1.423 57.830 56.400 0.012 0.000 0.917 215 E CB -0.881 28.818 29.700 -0.002 0.000 1.466 215 E HN 0.604 nan 8.360 nan 0.000 0.455 216 K N 0.833 121.252 120.400 0.031 0.000 2.110 216 K HA 0.323 4.644 4.320 0.001 0.000 0.263 216 K C -0.591 176.049 176.600 0.066 0.000 0.975 216 K CA -0.362 55.946 56.287 0.034 0.000 0.895 216 K CB 0.862 33.378 32.500 0.027 0.000 1.060 216 K HN 0.037 nan 8.250 nan 0.000 0.448 217 E N 3.094 123.326 120.200 0.053 0.000 2.229 217 E HA 0.287 4.637 4.350 0.001 0.000 0.283 217 E C -0.665 175.984 176.600 0.082 0.000 1.030 217 E CA -0.246 56.188 56.400 0.057 0.000 0.836 217 E CB 0.762 30.484 29.700 0.036 0.000 1.068 217 E HN 0.312 nan 8.360 nan 0.000 0.401 218 L N 2.118 123.390 121.223 0.081 0.000 2.401 218 L HA 0.338 4.678 4.340 0.001 0.000 0.266 218 L C 0.280 177.182 176.870 0.055 0.000 0.991 218 L CA -1.010 53.882 54.840 0.086 0.000 0.818 218 L CB 2.054 44.170 42.059 0.096 0.000 1.321 218 L HN 0.557 nan 8.230 nan 0.000 0.413 219 S N 1.652 117.381 115.700 0.049 0.000 2.580 219 S HA 0.208 4.678 4.470 0.001 0.000 0.266 219 S C -1.623 172.994 174.600 0.027 0.000 1.354 219 S CA -0.804 57.416 58.200 0.033 0.000 1.008 219 S CB 0.444 63.661 63.200 0.030 0.000 0.898 219 S HN 0.583 nan 8.310 nan 0.000 0.555 220 P HA -0.084 nan 4.420 nan 0.000 0.220 220 P C 0.722 178.030 177.300 0.014 0.000 1.148 220 P CA 1.198 64.308 63.100 0.018 0.000 0.803 220 P CB -0.010 31.697 31.700 0.012 0.000 0.782 221 E N -0.150 120.057 120.200 0.011 0.000 2.047 221 E HA -0.092 4.258 4.350 0.001 0.000 0.191 221 E C 2.172 178.775 176.600 0.004 0.000 0.987 221 E CA 1.606 58.008 56.400 0.004 0.000 0.799 221 E CB -1.469 28.231 29.700 0.001 0.000 0.752 221 E HN 0.191 nan 8.360 nan 0.000 0.449 222 T N 1.364 115.923 114.554 0.007 0.000 2.788 222 T HA -0.124 4.227 4.350 0.001 0.000 0.268 222 T C 1.441 176.133 174.700 -0.013 0.000 1.044 222 T CA 1.110 63.206 62.100 -0.007 0.000 1.139 222 T CB -0.169 68.704 68.868 0.007 0.000 0.867 222 T HN 0.099 nan 8.240 nan 0.000 0.454 223 E N 1.458 121.664 120.200 0.010 0.000 2.110 223 E HA -0.093 4.258 4.350 0.001 0.000 0.193 223 E C 2.203 178.829 176.600 0.042 0.000 0.988 223 E CA 0.972 57.387 56.400 0.025 0.000 0.804 223 E CB -0.155 29.566 29.700 0.035 0.000 0.745 223 E HN 0.523 nan 8.360 nan 0.000 0.458 224 K N 0.428 120.852 120.400 0.039 0.000 2.057 224 K HA -0.082 4.239 4.320 0.001 0.000 0.207 224 K C 2.280 178.928 176.600 0.079 0.000 1.049 224 K CA 1.117 57.444 56.287 0.065 0.000 0.931 224 K CB -0.138 32.384 32.500 0.036 0.000 0.714 224 K HN -0.040 nan 8.250 nan 0.000 0.440 225 V N 1.743 121.674 119.914 0.029 0.000 2.295 225 V HA -0.245 3.876 4.120 0.001 0.000 0.246 225 V C 2.234 178.350 176.094 0.037 0.000 1.049 225 V CA 1.436 63.747 62.300 0.018 0.000 1.024 225 V CB -0.422 31.385 31.823 -0.026 0.000 0.648 225 V HN 0.238 nan 8.190 nan 0.000 0.447 226 L N 0.015 121.250 121.223 0.021 0.000 2.012 226 L HA -0.148 4.193 4.340 0.001 0.000 0.210 226 L C 2.472 179.388 176.870 0.078 0.000 1.073 226 L CA 1.989 56.877 54.840 0.080 0.000 0.748 226 L CB -0.726 41.358 42.059 0.042 0.000 0.891 226 L HN 0.138 nan 8.230 nan 0.000 0.431 227 K N -1.203 119.233 120.400 0.060 0.000 2.057 227 K HA -0.231 4.089 4.320 0.001 0.000 0.207 227 K C 2.166 178.636 176.600 -0.217 0.000 1.049 227 K CA 1.903 58.196 56.287 0.009 0.000 0.931 227 K CB -0.927 31.673 32.500 0.167 0.000 0.714 227 K HN 0.461 nan 8.250 nan 0.000 0.440 228 Y N 1.662 121.845 120.300 -0.196 0.000 2.145 228 Y HA -0.174 4.377 4.550 0.001 0.000 0.286 228 Y C 2.101 177.701 175.900 -0.500 0.000 1.145 228 Y CA 1.455 59.353 58.100 -0.336 0.000 1.148 228 Y CB -0.343 38.046 38.460 -0.119 0.000 0.981 228 Y HN -0.083 nan 8.280 nan 0.000 0.507 229 L N 0.260 121.282 121.223 -0.335 0.000 2.079 229 L HA -0.252 4.089 4.340 0.001 0.000 0.210 229 L C 2.559 178.811 176.870 -1.030 0.000 1.081 229 L CA 2.009 56.480 54.840 -0.616 0.000 0.752 229 L CB -0.646 41.148 42.059 -0.441 0.000 0.896 229 L HN 0.368 nan 8.230 nan 0.000 0.433 230 E N 0.379 119.932 120.200 -1.080 0.000 2.077 230 E HA -0.243 4.107 4.350 0.001 0.000 0.193 230 E C 2.233 178.310 176.600 -0.872 0.000 0.989 230 E CA 1.173 56.848 56.400 -1.208 0.000 0.800 230 E CB -0.005 29.368 29.700 -0.546 0.000 0.746 230 E HN 0.445 nan 8.360 nan 0.000 0.452 231 A N 0.649 122.920 122.820 -0.915 0.000 1.908 231 A HA -0.230 4.091 4.320 0.001 0.000 0.218 231 A C 2.474 179.612 177.584 -0.743 0.000 1.181 231 A CA 2.497 53.977 52.037 -0.927 0.000 0.627 231 A CB -1.385 16.683 19.000 -1.554 0.000 0.818 231 A HN 0.556 nan 8.150 nan 0.000 0.445 232 T N -2.557 111.502 114.554 -0.825 0.000 2.881 232 T HA -0.108 4.243 4.350 0.001 0.000 0.270 232 T C 1.498 175.973 174.700 -0.375 0.000 1.068 232 T CA 1.491 63.243 62.100 -0.580 0.000 1.131 232 T CB -0.215 68.357 68.868 -0.494 0.000 0.871 232 T HN 0.478 nan 8.240 nan 0.000 0.479 233 E N 1.023 120.931 120.200 -0.486 0.000 2.086 233 E HA 0.076 4.426 4.350 0.001 0.000 0.190 233 E C 2.472 178.915 176.600 -0.263 0.000 0.975 233 E CA 0.384 56.565 56.400 -0.365 0.000 0.813 233 E CB -0.294 29.030 29.700 -0.627 0.000 0.768 233 E HN 0.498 nan 8.360 nan 0.000 0.457 234 R N 0.812 121.120 120.500 -0.320 0.000 2.091 234 R HA -0.089 4.251 4.340 0.001 0.000 0.238 234 R C 2.329 178.544 176.300 -0.142 0.000 1.136 234 R CA 0.946 56.925 56.100 -0.203 0.000 0.959 234 R CB -0.363 29.802 30.300 -0.225 0.000 0.856 234 R HN 0.014 nan 8.270 nan 0.000 0.437 235 V N 1.187 120.997 119.914 -0.173 0.000 2.720 235 V HA -0.194 3.927 4.120 0.001 0.000 0.256 235 V C 1.419 177.537 176.094 0.039 0.000 1.082 235 V CA 1.710 63.950 62.300 -0.100 0.000 1.101 235 V CB -0.213 31.529 31.823 -0.135 0.000 0.693 235 V HN 0.294 nan 8.190 nan 0.000 0.479 236 K N -0.631 119.769 120.400 -0.001 0.000 2.404 236 K HA 0.169 4.489 4.320 0.001 0.000 0.194 236 K C 1.424 178.037 176.600 0.022 0.000 1.023 236 K CA 0.083 56.389 56.287 0.030 0.000 1.094 236 K CB 0.162 32.656 32.500 -0.010 0.000 0.841 236 K HN 0.394 nan 8.250 nan 0.000 0.523 237 R N 0.207 120.713 120.500 0.010 0.000 2.507 237 R HA 0.094 4.434 4.340 0.001 0.000 0.298 237 R C 0.019 176.332 176.300 0.022 0.000 0.999 237 R CA 0.052 56.159 56.100 0.011 0.000 1.082 237 R CB 1.019 31.318 30.300 -0.001 0.000 1.246 237 R HN -0.111 nan 8.270 nan 0.000 0.553 238 T N 0.117 114.700 114.554 0.049 0.000 2.916 238 T HA 0.244 4.595 4.350 0.001 0.000 0.305 238 T C -0.279 174.487 174.700 0.110 0.000 1.119 238 T CA -0.798 61.327 62.100 0.041 0.000 1.008 238 T CB 1.589 70.448 68.868 -0.015 0.000 1.129 238 T HN 0.269 nan 8.240 nan 0.000 0.480 239 K N 1.649 122.092 120.400 0.072 0.000 2.402 239 K HA 0.325 4.646 4.320 0.001 0.000 0.204 239 K C -0.093 176.514 176.600 0.011 0.000 1.056 239 K CA -0.450 55.897 56.287 0.100 0.000 1.069 239 K CB 0.411 32.958 32.500 0.078 0.000 0.888 239 K HN 0.347 nan 8.250 nan 0.000 0.546 240 D N 2.672 123.053 120.400 -0.031 0.000 2.342 240 D HA -0.013 4.628 4.640 0.001 0.000 0.260 240 D C 0.725 176.956 176.300 -0.114 0.000 1.278 240 D CA 0.138 54.105 54.000 -0.055 0.000 0.910 240 D CB 1.070 41.844 40.800 -0.044 0.000 1.079 240 D HN 0.307 nan 8.370 nan 0.000 0.496 241 E N 3.206 123.344 120.200 -0.102 0.000 2.065 241 E HA -0.217 4.134 4.350 0.001 0.000 0.201 241 E C 1.612 178.091 176.600 -0.201 0.000 1.016 241 E CA 0.930 57.247 56.400 -0.138 0.000 0.818 241 E CB 0.139 29.788 29.700 -0.084 0.000 0.749 241 E HN 0.490 nan 8.360 nan 0.000 0.453 242 L N 0.852 121.955 121.223 -0.200 0.000 2.093 242 L HA -0.162 4.179 4.340 0.001 0.000 0.208 242 L C 2.398 178.974 176.870 -0.490 0.000 1.085 242 L CA 1.753 56.376 54.840 -0.363 0.000 0.755 242 L CB -1.122 40.806 42.059 -0.218 0.000 0.904 242 L HN 0.315 nan 8.230 nan 0.000 0.435 243 E N 0.083 120.157 120.200 -0.211 0.000 2.077 243 E HA -0.211 4.140 4.350 0.001 0.000 0.193 243 E C 2.348 178.858 176.600 -0.149 0.000 0.989 243 E CA 1.024 57.366 56.400 -0.097 0.000 0.800 243 E CB 0.040 29.714 29.700 -0.044 0.000 0.746 243 E HN 0.453 nan 8.360 nan 0.000 0.452 244 I N 0.872 121.308 120.570 -0.224 0.000 2.179 244 I HA -0.285 3.886 4.170 0.001 0.000 0.242 244 I C 2.424 178.412 176.117 -0.215 0.000 1.088 244 I CA 0.963 62.108 61.300 -0.258 0.000 1.357 244 I CB -0.239 37.513 38.000 -0.414 0.000 1.051 244 I HN 0.201 nan 8.210 nan 0.000 0.409 245 I N 0.235 120.648 120.570 -0.262 0.000 2.208 245 I HA -0.357 3.814 4.170 0.001 0.000 0.245 245 I C 2.429 178.469 176.117 -0.129 0.000 1.097 245 I CA 1.827 62.993 61.300 -0.222 0.000 1.363 245 I CB -0.643 37.188 38.000 -0.280 0.000 1.051 245 I HN 0.329 nan 8.210 nan 0.000 0.413 246 H N 0.060 119.096 119.070 -0.058 0.000 2.423 246 H HA -0.063 4.493 4.556 0.001 0.000 0.297 246 H C 2.313 177.626 175.328 -0.026 0.000 1.075 246 H CA 0.768 56.791 56.048 -0.042 0.000 1.342 246 H CB 0.114 29.855 29.762 -0.035 0.000 1.395 246 H HN 0.257 nan 8.280 nan 0.000 0.530 247 L N 0.177 121.447 121.223 0.079 0.000 2.093 247 L HA -0.137 4.203 4.340 0.001 0.000 0.208 247 L C 2.141 179.050 176.870 0.065 0.000 1.085 247 L CA 0.819 55.714 54.840 0.091 0.000 0.755 247 L CB -0.196 41.847 42.059 -0.026 0.000 0.904 247 L HN 0.308 nan 8.230 nan 0.000 0.435 248 I N -0.257 120.305 120.570 -0.014 0.000 2.142 248 I HA -0.312 3.858 4.170 0.001 0.000 0.240 248 I C 2.182 178.300 176.117 0.001 0.000 1.078 248 I CA 1.358 62.642 61.300 -0.025 0.000 1.343 248 I CB -0.417 37.545 38.000 -0.064 0.000 1.046 248 I HN 0.290 nan 8.210 nan 0.000 0.405 249 D N 0.691 121.093 120.400 0.003 0.000 2.097 249 D HA -0.185 4.455 4.640 0.001 0.000 0.195 249 D C 2.075 178.347 176.300 -0.046 0.000 0.989 249 D CA 1.419 55.415 54.000 -0.006 0.000 0.827 249 D CB -0.225 40.586 40.800 0.018 0.000 0.966 249 D HN 0.452 nan 8.370 nan 0.000 0.456 250 E N -0.299 119.859 120.200 -0.070 0.000 2.031 250 E HA -0.168 4.182 4.350 0.001 0.000 0.193 250 E C 1.329 177.686 176.600 -0.406 0.000 0.994 250 E CA 1.047 57.287 56.400 -0.266 0.000 0.800 250 E CB -0.086 29.424 29.700 -0.316 0.000 0.752 250 E HN 0.407 nan 8.360 nan 0.000 0.447 251 Y N -0.557 119.715 120.300 -0.047 0.000 2.507 251 Y HA 0.300 4.850 4.550 0.001 0.000 0.254 251 Y C -0.158 175.762 175.900 0.033 0.000 1.171 251 Y CA -0.323 57.771 58.100 -0.011 0.000 1.238 251 Y CB 0.343 38.725 38.460 -0.129 0.000 1.148 251 Y HN -0.137 nan 8.280 nan 0.000 0.525 252 R N 0.425 120.982 120.500 0.095 0.000 3.333 252 R HA -0.197 4.144 4.340 0.001 0.000 0.256 252 R C -0.763 175.596 176.300 0.098 0.000 1.010 252 R CA 0.184 56.329 56.100 0.076 0.000 0.680 252 R CB -2.450 27.894 30.300 0.072 0.000 1.102 252 R HN 0.351 nan 8.270 nan 0.000 0.440 253 L N 0.421 121.663 121.223 0.032 0.000 2.467 253 L HA 0.264 4.605 4.340 0.001 0.000 0.270 253 L C 1.368 178.320 176.870 0.136 0.000 1.205 253 L CA -0.241 54.596 54.840 -0.004 0.000 0.828 253 L CB 0.361 42.301 42.059 -0.197 0.000 1.101 253 L HN 0.041 nan 8.230 nan 0.000 0.479 254 V N 0.077 120.198 119.914 0.344 0.000 3.234 254 V HA 0.423 4.543 4.120 0.001 0.000 0.317 254 V C 1.190 177.270 176.094 -0.024 0.000 1.147 254 V CA -0.832 61.518 62.300 0.083 0.000 1.037 254 V CB 1.465 33.297 31.823 0.016 0.000 1.148 254 V HN 0.760 nan 8.190 nan 0.000 0.455 255 R N -0.383 120.039 120.500 -0.130 0.000 2.133 255 R HA -0.201 4.139 4.340 0.001 0.000 0.247 255 R C 1.903 178.108 176.300 -0.158 0.000 1.151 255 R CA 2.552 58.530 56.100 -0.202 0.000 0.971 255 R CB -0.186 29.995 30.300 -0.197 0.000 0.866 255 R HN 0.938 nan 8.270 nan 0.000 0.447 256 E N -0.875 119.201 120.200 -0.205 0.000 2.333 256 E HA -0.156 4.195 4.350 0.001 0.000 0.198 256 E C 1.567 178.016 176.600 -0.253 0.000 1.007 256 E CA 0.967 57.212 56.400 -0.258 0.000 0.845 256 E CB -0.078 29.385 29.700 -0.395 0.000 0.766 256 E HN 0.503 nan 8.360 nan 0.000 0.507 257 H N -0.859 118.156 119.070 -0.091 0.000 2.535 257 H HA 0.068 4.625 4.556 0.001 0.000 0.273 257 H C 0.246 175.538 175.328 -0.059 0.000 0.983 257 H CA 0.227 56.226 56.048 -0.081 0.000 1.238 257 H CB 0.210 29.909 29.762 -0.106 0.000 1.412 257 H HN 0.073 nan 8.280 nan 0.000 0.562 258 L N 0.996 122.250 121.223 0.051 0.000 2.439 258 L HA 0.194 4.535 4.340 0.001 0.000 0.259 258 L C 0.565 177.417 176.870 -0.031 0.000 1.129 258 L CA -0.090 54.802 54.840 0.086 0.000 0.803 258 L CB 0.691 42.785 42.059 0.059 0.000 1.161 258 L HN -0.045 nan 8.230 nan 0.000 0.462 259 L N -0.023 121.076 121.223 -0.206 0.000 2.431 259 L HA 0.342 4.683 4.340 0.001 0.000 0.260 259 L C 1.496 178.204 176.870 -0.270 0.000 1.098 259 L CA -0.475 54.147 54.840 -0.364 0.000 0.800 259 L CB 0.646 42.306 42.059 -0.665 0.000 1.210 259 L HN 0.647 nan 8.230 nan 0.000 0.465 260 T N 0.814 115.267 114.554 -0.169 0.000 2.684 260 T HA -0.161 4.190 4.350 0.001 0.000 0.267 260 T C 1.769 176.435 174.700 -0.056 0.000 1.036 260 T CA 1.995 64.052 62.100 -0.072 0.000 1.148 260 T CB -0.329 68.515 68.868 -0.040 0.000 0.863 260 T HN 0.653 nan 8.240 nan 0.000 0.436 261 I N -0.198 120.303 120.570 -0.115 0.000 2.335 261 I HA -0.234 3.937 4.170 0.001 0.000 0.251 261 I C 2.214 178.371 176.117 0.068 0.000 1.129 261 I CA 1.772 63.051 61.300 -0.034 0.000 1.402 261 I CB -0.865 37.108 38.000 -0.044 0.000 1.069 261 I HN 0.383 nan 8.210 nan 0.000 0.424 262 H N 0.931 119.987 119.070 -0.023 0.000 2.395 262 H HA 0.038 4.595 4.556 0.001 0.000 0.299 262 H C 1.636 176.930 175.328 -0.057 0.000 1.070 262 H CA 0.431 56.446 56.048 -0.055 0.000 1.356 262 H CB 0.143 29.845 29.762 -0.100 0.000 1.401 262 H HN 0.220 nan 8.280 nan 0.000 0.524 263 L N 1.175 122.454 121.223 0.093 0.000 2.622 263 L HA -0.053 4.287 4.340 0.001 0.000 0.233 263 L C 1.336 178.440 176.870 0.390 0.000 1.156 263 L CA 1.232 56.166 54.840 0.156 0.000 0.866 263 L CB -0.512 41.657 42.059 0.184 0.000 0.980 263 L HN 0.277 nan 8.230 nan 0.000 0.448 264 K N -1.107 119.433 120.400 0.233 0.000 2.404 264 K HA 0.089 4.409 4.320 0.001 0.000 0.194 264 K C 0.832 177.554 176.600 0.202 0.000 1.023 264 K CA -0.017 56.392 56.287 0.203 0.000 1.094 264 K CB 0.547 33.119 32.500 0.121 0.000 0.841 264 K HN 0.083 nan 8.250 nan 0.000 0.523 265 S N 1.857 117.689 115.700 0.219 0.000 2.430 265 S HA 0.104 4.574 4.470 0.001 0.000 0.289 265 S C 1.003 175.762 174.600 0.267 0.000 1.143 265 S CA -0.532 57.771 58.200 0.172 0.000 1.067 265 S CB 1.216 64.464 63.200 0.080 0.000 0.964 265 S HN 0.191 nan 8.310 nan 0.000 0.485 266 K N 3.600 124.118 120.400 0.196 0.000 2.103 266 K HA -0.131 4.189 4.320 0.001 0.000 0.207 266 K C 1.178 177.882 176.600 0.172 0.000 1.048 266 K CA 1.520 57.917 56.287 0.184 0.000 0.930 266 K CB -0.044 32.509 32.500 0.089 0.000 0.716 266 K HN 0.633 nan 8.250 nan 0.000 0.444 267 E N 0.752 121.012 120.200 0.100 0.000 2.107 267 E HA -0.133 4.218 4.350 0.001 0.000 0.191 267 E C 2.076 178.693 176.600 0.028 0.000 0.982 267 E CA 0.645 57.075 56.400 0.051 0.000 0.809 267 E CB -0.054 29.652 29.700 0.009 0.000 0.756 267 E HN 0.364 nan 8.360 nan 0.000 0.459 268 I N -0.525 120.050 120.570 0.008 0.000 2.226 268 I HA -0.224 3.946 4.170 0.001 0.000 0.245 268 I C 2.150 178.209 176.117 -0.097 0.000 1.100 268 I CA 0.955 62.198 61.300 -0.095 0.000 1.374 268 I CB -1.142 36.759 38.000 -0.166 0.000 1.057 268 I HN 0.192 nan 8.210 nan 0.000 0.413 269 W N 1.740 123.030 121.300 -0.017 0.000 2.358 269 W HA -0.168 4.493 4.660 0.001 0.000 0.303 269 W C 2.701 179.208 176.519 -0.020 0.000 1.208 269 W CA 1.101 58.436 57.345 -0.017 0.000 1.274 269 W CB -0.336 29.114 29.460 -0.017 0.000 1.138 269 W HN 0.042 nan 8.180 nan 0.000 0.515 270 K N 0.109 120.632 120.400 0.204 0.000 2.063 270 K HA -0.188 4.132 4.320 0.001 0.000 0.208 270 K C 2.122 178.760 176.600 0.064 0.000 1.048 270 K CA 2.003 58.358 56.287 0.113 0.000 0.928 270 K CB -0.613 31.930 32.500 0.073 0.000 0.713 270 K HN 0.171 nan 8.250 nan 0.000 0.442 271 S N 0.836 116.551 115.700 0.026 0.000 2.428 271 S HA -0.074 4.397 4.470 0.001 0.000 0.230 271 S C 1.903 176.494 174.600 -0.014 0.000 1.014 271 S CA 0.544 58.741 58.200 -0.006 0.000 0.957 271 S CB -0.181 62.996 63.200 -0.038 0.000 0.784 271 S HN 0.048 nan 8.310 nan 0.000 0.499 272 L N 1.005 122.210 121.223 -0.031 0.000 2.093 272 L HA 0.218 4.559 4.340 0.001 0.000 0.208 272 L C 2.247 179.132 176.870 0.025 0.000 1.085 272 L CA 1.045 55.851 54.840 -0.057 0.000 0.755 272 L CB -1.155 40.781 42.059 -0.205 0.000 0.904 272 L HN 0.383 nan 8.230 nan 0.000 0.435 273 L N -0.993 120.280 121.223 0.083 0.000 2.083 273 L HA -0.211 4.129 4.340 0.001 0.000 0.209 273 L C 2.446 179.342 176.870 0.044 0.000 1.083 273 L CA 1.467 56.359 54.840 0.086 0.000 0.752 273 L CB -0.657 41.461 42.059 0.098 0.000 0.899 273 L HN 0.253 nan 8.230 nan 0.000 0.433 274 Q N 0.205 120.023 119.800 0.031 0.000 2.047 274 Q HA -0.222 4.118 4.340 0.001 0.000 0.211 274 Q C 0.865 176.874 176.000 0.015 0.000 1.005 274 Q CA 2.365 58.179 55.803 0.018 0.000 0.866 274 Q CB -0.194 28.551 28.738 0.011 0.000 0.938 274 Q HN 0.590 nan 8.270 nan 0.000 0.414 275 D N -0.954 119.455 120.400 0.015 0.000 2.788 275 D HA 0.120 4.760 4.640 0.001 0.000 0.289 275 D C -0.565 175.747 176.300 0.019 0.000 1.340 275 D CA -0.129 53.880 54.000 0.015 0.000 0.831 275 D CB -0.009 40.799 40.800 0.013 0.000 1.103 275 D HN 0.288 nan 8.370 nan 0.000 0.476 276 M N 2.890 122.504 119.600 0.024 0.000 2.227 276 M HA 0.155 4.635 4.480 0.001 0.000 0.349 276 M C -2.269 174.045 176.300 0.024 0.000 1.443 276 M CA -0.864 54.454 55.300 0.029 0.000 1.110 276 M CB 0.741 33.370 32.600 0.049 0.000 1.773 276 M HN -0.212 nan 8.290 nan 0.000 0.463 277 P HA -0.039 nan 4.420 nan 0.000 0.269 277 P C 0.576 177.887 177.300 0.019 0.000 1.215 277 P CA -0.048 63.065 63.100 0.023 0.000 0.780 277 P CB 0.724 32.441 31.700 0.029 0.000 0.898 278 L N 1.156 122.388 121.223 0.015 0.000 2.013 278 L HA -0.231 4.110 4.340 0.001 0.000 0.212 278 L C 2.494 179.366 176.870 0.003 0.000 1.073 278 L CA 2.251 57.096 54.840 0.009 0.000 0.753 278 L CB -1.111 40.955 42.059 0.011 0.000 0.890 278 L HN 0.460 nan 8.230 nan 0.000 0.432 279 T N -0.489 114.068 114.554 0.005 0.000 2.746 279 T HA -0.173 4.177 4.350 0.001 0.000 0.267 279 T C 1.898 176.592 174.700 -0.010 0.000 1.039 279 T CA 1.285 63.376 62.100 -0.015 0.000 1.142 279 T CB -0.223 68.629 68.868 -0.027 0.000 0.866 279 T HN 0.483 nan 8.240 nan 0.000 0.444 280 A N 1.141 123.967 122.820 0.010 0.000 1.933 280 A HA -0.020 4.301 4.320 0.001 0.000 0.218 280 A C 2.217 179.816 177.584 0.024 0.000 1.175 280 A CA 1.253 53.305 52.037 0.025 0.000 0.628 280 A CB -0.719 18.302 19.000 0.035 0.000 0.814 280 A HN 0.421 nan 8.150 nan 0.000 0.444 281 L N -0.830 120.399 121.223 0.010 0.000 2.027 281 L HA -0.082 4.258 4.340 0.001 0.000 0.206 281 L C 2.206 179.038 176.870 -0.062 0.000 1.074 281 L CA 1.979 56.812 54.840 -0.013 0.000 0.745 281 L CB -0.655 41.395 42.059 -0.015 0.000 0.898 281 L HN 0.317 nan 8.230 nan 0.000 0.433 282 L N -0.156 121.034 121.223 -0.054 0.000 2.042 282 L HA -0.188 4.153 4.340 0.001 0.000 0.210 282 L C 2.601 179.418 176.870 -0.088 0.000 1.076 282 L CA 1.810 56.605 54.840 -0.074 0.000 0.749 282 L CB -0.554 41.486 42.059 -0.032 0.000 0.893 282 L HN 0.270 nan 8.230 nan 0.000 0.432 283 R N -0.900 119.566 120.500 -0.056 0.000 2.240 283 R HA 0.082 4.422 4.340 0.001 0.000 0.203 283 R C 0.969 177.222 176.300 -0.079 0.000 1.011 283 R CA 0.700 56.772 56.100 -0.047 0.000 1.007 283 R CB -0.141 30.151 30.300 -0.014 0.000 0.911 283 R HN 0.413 nan 8.270 nan 0.000 0.468 284 N N 0.345 118.986 118.700 -0.098 0.000 2.238 284 N HA 0.105 4.845 4.740 0.001 0.000 0.222 284 N C 1.041 176.375 175.510 -0.293 0.000 1.133 284 N CA 0.057 53.011 53.050 -0.160 0.000 0.854 284 N CB 0.719 39.185 38.487 -0.035 0.000 1.041 284 N HN 0.165 nan 8.380 nan 0.000 0.510 285 L N 0.115 121.144 121.223 -0.324 0.000 2.042 285 L HA -0.096 4.245 4.340 0.001 0.000 0.210 285 L C 2.500 179.076 176.870 -0.491 0.000 1.076 285 L CA 1.545 56.106 54.840 -0.464 0.000 0.749 285 L CB -0.669 40.945 42.059 -0.741 0.000 0.893 285 L HN 0.191 nan 8.230 nan 0.000 0.432 286 G N 0.132 108.583 108.800 -0.581 0.000 2.421 286 G HA2 -0.316 3.644 3.960 0.001 0.000 0.216 286 G HA3 -0.316 3.644 3.960 0.001 0.000 0.216 286 G C 1.642 175.907 174.900 -1.059 0.000 1.171 286 G CA 0.993 45.295 45.100 -1.331 0.000 0.775 286 G HN 0.196 nan 8.290 nan 0.000 0.543 287 K N 0.484 120.487 120.400 -0.663 0.000 2.002 287 K HA 0.052 4.372 4.320 0.001 0.000 0.209 287 K C 2.504 178.760 176.600 -0.572 0.000 1.048 287 K CA 1.387 57.353 56.287 -0.534 0.000 0.930 287 K CB -0.476 31.699 32.500 -0.542 0.000 0.714 287 K HN 0.324 nan 8.250 nan 0.000 0.438 288 M N 0.013 119.253 119.600 -0.600 0.000 2.374 288 M HA -0.103 4.377 4.480 0.001 0.000 0.264 288 M C 1.589 177.719 176.300 -0.283 0.000 1.067 288 M CA 1.495 56.504 55.300 -0.486 0.000 1.103 288 M CB -0.158 32.227 32.600 -0.358 0.000 1.402 288 M HN 0.148 nan 8.290 nan 0.000 0.444 289 T N 0.522 114.916 114.554 -0.267 0.000 2.896 289 T HA 0.037 4.388 4.350 0.001 0.000 0.263 289 T C 1.942 176.612 174.700 -0.050 0.000 1.050 289 T CA 1.319 63.350 62.100 -0.114 0.000 1.140 289 T CB -0.111 68.719 68.868 -0.063 0.000 0.877 289 T HN 0.481 nan 8.240 nan 0.000 0.457 290 A N 1.814 124.587 122.820 -0.078 0.000 1.969 290 A HA -0.096 4.224 4.320 0.001 0.000 0.218 290 A C 1.857 179.424 177.584 -0.028 0.000 1.169 290 A CA 1.322 53.381 52.037 0.036 0.000 0.635 290 A CB -0.345 18.705 19.000 0.084 0.000 0.810 290 A HN 0.338 nan 8.150 nan 0.000 0.445 291 D N -0.581 119.747 120.400 -0.119 0.000 2.340 291 D HA 0.122 4.762 4.640 0.001 0.000 0.220 291 D C 0.405 176.670 176.300 -0.059 0.000 1.039 291 D CA 0.924 54.860 54.000 -0.107 0.000 0.866 291 D CB 0.167 40.836 40.800 -0.218 0.000 0.913 291 D HN 0.276 nan 8.370 nan 0.000 0.523 292 S N -0.995 114.676 115.700 -0.047 0.000 3.228 292 S HA -0.202 4.268 4.470 0.001 0.000 0.282 292 S C 1.496 176.085 174.600 -0.018 0.000 1.286 292 S CA 0.696 58.886 58.200 -0.017 0.000 1.066 292 S CB -1.946 61.255 63.200 0.001 0.000 1.277 292 S HN 0.388 nan 8.310 nan 0.000 0.661 293 V N -0.928 118.961 119.914 -0.042 0.000 3.041 293 V HA 0.294 4.415 4.120 0.001 0.000 0.260 293 V C 0.657 176.741 176.094 -0.016 0.000 1.105 293 V CA 1.372 63.665 62.300 -0.012 0.000 1.125 293 V CB -0.173 31.652 31.823 0.003 0.000 0.730 293 V HN 0.549 nan 8.190 nan 0.000 0.479 294 L N 2.266 123.468 121.223 -0.035 0.000 2.709 294 L HA 0.690 5.031 4.340 0.001 0.000 0.236 294 L C 0.553 177.425 176.870 0.003 0.000 1.266 294 L CA -0.113 54.715 54.840 -0.021 0.000 0.987 294 L CB 0.412 42.444 42.059 -0.046 0.000 1.306 294 L HN 0.307 nan 8.230 nan 0.000 0.467 295 A N 2.545 125.370 122.820 0.008 0.000 2.388 295 A HA 0.521 4.842 4.320 0.001 0.000 0.257 295 A C -2.126 175.472 177.584 0.024 0.000 1.095 295 A CA -1.127 50.921 52.037 0.018 0.000 0.791 295 A CB -0.207 18.802 19.000 0.015 0.000 1.029 295 A HN 0.243 nan 8.150 nan 0.000 0.489 296 P HA 0.085 nan 4.420 nan 0.000 0.264 296 P C 0.590 177.904 177.300 0.024 0.000 1.183 296 P CA 1.566 64.685 63.100 0.032 0.000 0.763 296 P CB 0.745 32.464 31.700 0.030 0.000 0.807 297 A N 1.678 124.513 122.820 0.025 0.000 3.100 297 A HA -0.240 4.081 4.320 0.001 0.000 0.268 297 A C 0.985 178.580 177.584 0.017 0.000 1.227 297 A CA 1.591 53.640 52.037 0.020 0.000 0.967 297 A CB -2.856 16.154 19.000 0.018 0.000 1.066 297 A HN 0.833 nan 8.150 nan 0.000 0.787 298 S N -0.954 114.756 115.700 0.017 0.000 2.617 298 S HA 0.499 4.970 4.470 0.001 0.000 0.255 298 S C 1.200 175.808 174.600 0.013 0.000 1.318 298 S CA 0.593 58.802 58.200 0.014 0.000 0.978 298 S CB 1.233 64.441 63.200 0.014 0.000 0.961 298 S HN 1.392 nan 8.310 nan 0.000 0.582 299 S N -0.258 115.449 115.700 0.012 0.000 2.446 299 S HA 0.015 4.486 4.470 0.001 0.000 0.225 299 S C 1.523 176.128 174.600 0.009 0.000 1.016 299 S CA 0.752 58.959 58.200 0.010 0.000 0.943 299 S CB -0.745 62.461 63.200 0.011 0.000 0.786 299 S HN 0.716 nan 8.310 nan 0.000 0.508 300 E N 0.914 121.120 120.200 0.009 0.000 2.046 300 E HA -0.019 4.331 4.350 0.001 0.000 0.190 300 E C 2.131 178.731 176.600 -0.000 0.000 0.982 300 E CA 1.114 57.517 56.400 0.006 0.000 0.800 300 E CB -0.634 29.070 29.700 0.007 0.000 0.756 300 E HN 0.272 nan 8.360 nan 0.000 0.449 301 V N 0.755 120.670 119.914 0.001 0.000 2.324 301 V HA -0.309 3.812 4.120 0.001 0.000 0.250 301 V C 2.383 178.478 176.094 0.002 0.000 1.060 301 V CA 2.112 64.412 62.300 0.000 0.000 1.042 301 V CB -0.655 31.177 31.823 0.014 0.000 0.650 301 V HN 0.301 nan 8.190 nan 0.000 0.450 302 S N -1.129 114.575 115.700 0.007 0.000 2.368 302 S HA -0.205 4.266 4.470 0.001 0.000 0.224 302 S C 2.310 176.913 174.600 0.005 0.000 1.029 302 S CA 1.929 60.134 58.200 0.008 0.000 0.988 302 S CB -0.321 62.885 63.200 0.010 0.000 0.838 302 S HN 0.599 nan 8.310 nan 0.000 0.462 303 S N 0.138 115.840 115.700 0.003 0.000 2.356 303 S HA -0.063 4.408 4.470 0.001 0.000 0.223 303 S C 1.842 176.440 174.600 -0.003 0.000 1.032 303 S CA 1.459 59.660 58.200 0.002 0.000 1.005 303 S CB -0.530 62.673 63.200 0.004 0.000 0.867 303 S HN 0.393 nan 8.310 nan 0.000 0.449 304 V N 1.221 121.128 119.914 -0.010 0.000 2.287 304 V HA -0.233 3.887 4.120 0.001 0.000 0.248 304 V C 2.641 178.722 176.094 -0.021 0.000 1.053 304 V CA 1.951 64.237 62.300 -0.023 0.000 1.027 304 V CB -1.049 30.746 31.823 -0.046 0.000 0.646 304 V HN 0.670 nan 8.190 nan 0.000 0.447 305 C N -0.503 118.789 119.300 -0.013 0.000 2.413 305 C HA -0.134 4.327 4.460 0.001 0.000 0.277 305 C C 2.721 177.715 174.990 0.006 0.000 1.265 305 C CA 0.650 59.666 59.018 -0.003 0.000 1.752 305 C CB -1.011 26.735 27.740 0.009 0.000 1.998 305 C HN 0.572 nan 8.230 nan 0.000 0.489 306 E N 0.637 120.841 120.200 0.006 0.000 2.110 306 E HA -0.137 4.214 4.350 0.001 0.000 0.193 306 E C 2.368 178.972 176.600 0.007 0.000 0.988 306 E CA 1.003 57.408 56.400 0.009 0.000 0.804 306 E CB -0.299 29.405 29.700 0.007 0.000 0.745 306 E HN 0.656 nan 8.360 nan 0.000 0.458 307 R N 0.217 120.718 120.500 0.002 0.000 2.075 307 R HA 0.004 4.344 4.340 0.001 0.000 0.232 307 R C 2.606 178.907 176.300 0.002 0.000 1.126 307 R CA 0.709 56.810 56.100 0.001 0.000 0.963 307 R CB -0.295 30.003 30.300 -0.002 0.000 0.858 307 R HN 0.150 nan 8.270 nan 0.000 0.435 308 L N 0.484 121.706 121.223 -0.002 0.000 2.201 308 L HA -0.089 4.252 4.340 0.001 0.000 0.212 308 L C 2.137 179.018 176.870 0.019 0.000 1.105 308 L CA 1.383 56.224 54.840 0.002 0.000 0.775 308 L CB -0.487 41.566 42.059 -0.010 0.000 0.913 308 L HN 0.338 nan 8.230 nan 0.000 0.440 309 T N -4.699 109.869 114.554 0.023 0.000 3.086 309 T HA 0.018 4.369 4.350 0.001 0.000 0.250 309 T C 0.852 175.569 174.700 0.028 0.000 1.074 309 T CA -0.341 61.780 62.100 0.035 0.000 0.988 309 T CB -0.340 68.552 68.868 0.041 0.000 0.988 309 T HN 0.080 nan 8.240 nan 0.000 0.530 310 N N 2.434 121.145 118.700 0.018 0.000 2.415 310 N HA 0.049 4.790 4.740 0.001 0.000 0.250 310 N C 0.932 176.449 175.510 0.011 0.000 1.127 310 N CA 0.064 53.122 53.050 0.014 0.000 0.945 310 N CB 0.918 39.410 38.487 0.009 0.000 1.196 310 N HN 0.514 nan 8.380 nan 0.000 0.499 311 E N 3.137 123.345 120.200 0.014 0.000 2.097 311 E HA -0.268 4.082 4.350 0.001 0.000 0.196 311 E C 0.908 177.508 176.600 -0.000 0.000 1.000 311 E CA 1.432 57.837 56.400 0.008 0.000 0.804 311 E CB 0.315 30.023 29.700 0.012 0.000 0.740 311 E HN 0.388 nan 8.360 nan 0.000 0.454 312 K N 0.398 120.799 120.400 0.001 0.000 2.020 312 K HA -0.119 4.202 4.320 0.001 0.000 0.212 312 K C 2.102 178.700 176.600 -0.003 0.000 1.050 312 K CA 1.286 57.572 56.287 -0.002 0.000 0.929 312 K CB -0.281 32.219 32.500 -0.001 0.000 0.714 312 K HN 0.174 nan 8.250 nan 0.000 0.443 313 L N 0.072 121.295 121.223 -0.000 0.000 2.093 313 L HA -0.133 4.207 4.340 0.001 0.000 0.208 313 L C 2.194 179.064 176.870 0.001 0.000 1.085 313 L CA 0.806 55.647 54.840 0.001 0.000 0.755 313 L CB -0.434 41.627 42.059 0.003 0.000 0.904 313 L HN 0.166 nan 8.230 nan 0.000 0.435 314 L N -0.294 120.928 121.223 -0.002 0.000 2.012 314 L HA -0.225 4.116 4.340 0.001 0.000 0.210 314 L C 2.820 179.683 176.870 -0.012 0.000 1.073 314 L CA 1.238 56.075 54.840 -0.005 0.000 0.748 314 L CB -0.534 41.516 42.059 -0.015 0.000 0.891 314 L HN 0.233 nan 8.230 nan 0.000 0.431 315 K N 0.201 120.590 120.400 -0.019 0.000 2.025 315 K HA -0.192 4.129 4.320 0.001 0.000 0.207 315 K C 2.070 178.664 176.600 -0.011 0.000 1.049 315 K CA 1.192 57.464 56.287 -0.024 0.000 0.933 315 K CB -0.341 32.144 32.500 -0.025 0.000 0.714 315 K HN 0.042 nan 8.250 nan 0.000 0.438 316 K N 1.330 121.727 120.400 -0.006 0.000 2.044 316 K HA -0.097 4.223 4.320 0.001 0.000 0.210 316 K C 1.751 178.355 176.600 0.007 0.000 1.049 316 K CA 1.722 58.008 56.287 -0.002 0.000 0.927 316 K CB -0.460 32.039 32.500 -0.001 0.000 0.713 316 K HN 0.150 nan 8.250 nan 0.000 0.443 317 A N 0.154 122.982 122.820 0.012 0.000 2.235 317 A HA 0.095 4.415 4.320 0.001 0.000 0.208 317 A C -0.095 177.512 177.584 0.039 0.000 1.172 317 A CA 0.637 52.689 52.037 0.025 0.000 0.786 317 A CB -0.363 18.651 19.000 0.023 0.000 0.804 317 A HN 0.449 nan 8.150 nan 0.000 0.479 318 R N -1.030 119.488 120.500 0.031 0.000 3.423 318 R HA -0.122 4.219 4.340 0.001 0.000 0.271 318 R C -0.800 175.557 176.300 0.093 0.000 1.093 318 R CA 0.547 56.675 56.100 0.047 0.000 0.730 318 R CB -2.072 28.264 30.300 0.059 0.000 1.190 318 R HN 0.383 nan 8.270 nan 0.000 0.437 319 I N 1.271 121.883 120.570 0.071 0.000 2.452 319 I HA 0.046 4.217 4.170 0.001 0.000 0.287 319 I C 1.070 177.244 176.117 0.096 0.000 1.079 319 I CA 0.025 61.400 61.300 0.125 0.000 1.387 319 I CB 0.389 38.425 38.000 0.061 0.000 1.404 319 I HN 0.121 nan 8.210 nan 0.000 0.522 320 H N 9.252 128.397 119.070 0.124 0.000 2.487 320 H HA 0.285 4.841 4.556 0.001 0.000 0.333 320 H C -1.526 173.692 175.328 -0.183 0.000 1.114 320 H CA -1.252 54.712 56.048 -0.140 0.000 1.310 320 H CB 1.628 31.218 29.762 -0.288 0.000 1.462 320 H HN 0.306 nan 8.280 nan 0.000 0.516 321 P HA -0.222 nan 4.420 nan 0.000 0.218 321 P C 1.313 178.728 177.300 0.191 0.000 1.148 321 P CA 1.227 63.972 63.100 -0.592 0.000 0.822 321 P CB 0.037 30.718 31.700 -1.698 0.000 0.784 322 F N 0.436 120.554 119.950 0.280 0.000 2.234 322 F HA -0.157 4.370 4.527 0.001 0.000 0.299 322 F C 2.501 178.407 175.800 0.176 0.000 1.087 322 F CA 1.345 59.550 58.000 0.342 0.000 1.340 322 F CB -0.371 38.784 39.000 0.257 0.000 1.031 322 F HN -0.076 nan 8.300 nan 0.000 0.500 323 H N -0.030 119.226 119.070 0.310 0.000 2.357 323 H HA -0.111 4.445 4.556 0.001 0.000 0.301 323 H C 2.468 177.831 175.328 0.058 0.000 1.082 323 H CA 1.579 57.715 56.048 0.147 0.000 1.342 323 H CB -0.468 29.385 29.762 0.153 0.000 1.389 323 H HN 0.214 nan 8.280 nan 0.000 0.511 324 I N 0.766 121.461 120.570 0.209 0.000 2.179 324 I HA -0.235 3.935 4.170 0.001 0.000 0.242 324 I C 2.765 178.952 176.117 0.118 0.000 1.088 324 I CA 0.822 62.217 61.300 0.159 0.000 1.357 324 I CB -1.184 36.933 38.000 0.196 0.000 1.051 324 I HN 0.207 nan 8.210 nan 0.000 0.409 325 L N 0.172 121.470 121.223 0.125 0.000 2.012 325 L HA -0.218 4.123 4.340 0.001 0.000 0.210 325 L C 2.673 179.453 176.870 -0.149 0.000 1.073 325 L CA 1.368 56.182 54.840 -0.043 0.000 0.748 325 L CB -0.133 41.877 42.059 -0.082 0.000 0.891 325 L HN 0.025 nan 8.230 nan 0.000 0.431 326 V N -0.099 119.666 119.914 -0.248 0.000 2.295 326 V HA -0.295 3.826 4.120 0.001 0.000 0.246 326 V C 2.736 178.808 176.094 -0.036 0.000 1.049 326 V CA 1.735 63.922 62.300 -0.188 0.000 1.024 326 V CB -0.721 30.995 31.823 -0.178 0.000 0.648 326 V HN 0.566 nan 8.190 nan 0.000 0.447 327 A N -0.465 122.360 122.820 0.008 0.000 1.883 327 A HA -0.226 4.095 4.320 0.001 0.000 0.217 327 A C 2.279 179.910 177.584 0.079 0.000 1.186 327 A CA 2.185 54.245 52.037 0.039 0.000 0.624 327 A CB -0.659 18.353 19.000 0.019 0.000 0.822 327 A HN 0.496 nan 8.150 nan 0.000 0.444 328 L N -0.692 120.568 121.223 0.062 0.000 1.990 328 L HA -0.245 4.096 4.340 0.001 0.000 0.213 328 L C 2.632 179.572 176.870 0.116 0.000 1.072 328 L CA 2.214 57.113 54.840 0.099 0.000 0.755 328 L CB -0.440 41.651 42.059 0.053 0.000 0.889 328 L HN 0.380 nan 8.230 nan 0.000 0.432 329 E N -0.141 120.091 120.200 0.053 0.000 2.058 329 E HA -0.217 4.134 4.350 0.001 0.000 0.194 329 E C 2.107 178.743 176.600 0.060 0.000 0.997 329 E CA 2.123 58.548 56.400 0.042 0.000 0.801 329 E CB -0.602 29.093 29.700 -0.007 0.000 0.746 329 E HN 0.719 nan 8.360 nan 0.000 0.450 330 T N -1.243 113.360 114.554 0.082 0.000 2.857 330 T HA -0.172 4.179 4.350 0.001 0.000 0.266 330 T C 2.039 176.897 174.700 0.263 0.000 1.048 330 T CA 1.087 63.250 62.100 0.104 0.000 1.139 330 T CB -0.689 68.243 68.868 0.107 0.000 0.874 330 T HN 0.090 nan 8.240 nan 0.000 0.455 331 Y N 2.327 122.737 120.300 0.184 0.000 2.181 331 Y HA 0.005 4.555 4.550 0.001 0.000 0.288 331 Y C 2.485 178.587 175.900 0.336 0.000 1.146 331 Y CA 1.300 59.596 58.100 0.328 0.000 1.164 331 Y CB -0.332 38.199 38.460 0.117 0.000 0.982 331 Y HN -0.027 nan 8.280 nan 0.000 0.515 332 K N 0.901 121.356 120.400 0.092 0.000 2.147 332 K HA -0.173 4.147 4.320 0.001 0.000 0.205 332 K C 2.001 178.520 176.600 -0.135 0.000 1.049 332 K CA 1.244 57.481 56.287 -0.084 0.000 0.936 332 K CB -0.208 32.253 32.500 -0.065 0.000 0.722 332 K HN 0.404 nan 8.250 nan 0.000 0.446 333 K N -0.981 119.359 120.400 -0.100 0.000 2.044 333 K HA -0.168 4.153 4.320 0.001 0.000 0.210 333 K C 1.207 177.615 176.600 -0.319 0.000 1.049 333 K CA 1.461 57.656 56.287 -0.154 0.000 0.927 333 K CB -0.151 32.183 32.500 -0.277 0.000 0.713 333 K HN 0.422 nan 8.250 nan 0.000 0.443 334 G N 1.605 109.958 108.800 -0.745 0.000 2.157 334 G HA2 -0.233 3.728 3.960 0.001 0.000 0.248 334 G HA3 -0.233 3.728 3.960 0.001 0.000 0.248 334 G C -0.131 173.700 174.900 -1.783 0.000 0.979 334 G CA 0.630 44.814 45.100 -1.527 0.000 0.650 334 G HN 0.616 nan 8.290 nan 0.000 0.529 335 H N -1.432 116.768 119.070 -1.450 0.000 3.012 335 H HA 0.772 5.329 4.556 0.001 0.000 0.367 335 H C 0.066 175.230 175.328 -0.274 0.000 1.211 335 H CA -0.380 55.176 56.048 -0.819 0.000 1.139 335 H CB 1.619 31.141 29.762 -0.400 0.000 1.838 335 H HN 1.296 nan 8.280 nan 0.000 0.550 342 R N 1.863 122.479 120.500 0.193 0.000 2.651 342 R HA 0.689 5.030 4.340 0.001 0.000 0.278 342 R C -1.816 174.575 176.300 0.151 0.000 1.010 342 R CA -0.550 55.542 56.100 -0.013 0.000 0.896 342 R CB 2.594 32.867 30.300 -0.045 0.000 1.211 342 R HN 0.681 nan 8.270 nan 0.000 0.456 343 W N 1.592 122.863 121.300 -0.049 0.000 3.066 343 W HA 0.550 5.211 4.660 0.001 0.000 0.330 343 W C -1.474 174.975 176.519 -0.118 0.000 1.253 343 W CA -0.997 56.301 57.345 -0.078 0.000 1.187 343 W CB 0.584 29.994 29.460 -0.082 0.000 1.434 343 W HN 0.166 nan 8.180 nan 0.000 0.572 344 I N 4.083 124.730 120.570 0.129 0.000 2.297 344 I HA 0.214 4.384 4.170 0.001 0.000 0.291 344 I C -1.780 174.384 176.117 0.078 0.000 1.033 344 I CA -2.453 58.853 61.300 0.010 0.000 1.253 344 I CB 0.402 38.413 38.000 0.018 0.000 1.396 344 I HN 0.137 nan 8.210 nan 0.000 0.476 345 P HA -0.010 nan 4.420 nan 0.000 0.263 345 P C -0.221 177.064 177.300 -0.024 0.000 1.195 345 P CA -0.047 62.903 63.100 -0.250 0.000 0.762 345 P CB 0.946 32.405 31.700 -0.400 0.000 0.799 346 D N 3.021 123.519 120.400 0.164 0.000 2.371 346 D HA -0.011 4.630 4.640 0.001 0.000 0.256 346 D C 1.330 177.724 176.300 0.157 0.000 1.193 346 D CA 0.208 54.312 54.000 0.173 0.000 0.881 346 D CB 1.003 41.926 40.800 0.205 0.000 1.143 346 D HN 0.334 nan 8.370 nan 0.000 0.473 347 T N 0.747 115.350 114.554 0.082 0.000 2.833 347 T HA -0.132 4.219 4.350 0.001 0.000 0.269 347 T C 1.838 176.583 174.700 0.075 0.000 1.054 347 T CA 0.966 63.104 62.100 0.063 0.000 1.135 347 T CB -0.011 68.880 68.868 0.039 0.000 0.869 347 T HN 0.230 nan 8.240 nan 0.000 0.466 348 S N 1.127 116.871 115.700 0.072 0.000 2.387 348 S HA 0.105 4.576 4.470 0.001 0.000 0.226 348 S C 1.968 176.606 174.600 0.063 0.000 1.026 348 S CA 0.671 58.907 58.200 0.060 0.000 0.972 348 S CB -0.296 62.932 63.200 0.046 0.000 0.814 348 S HN 0.387 nan 8.310 nan 0.000 0.477 349 I N 1.305 121.923 120.570 0.080 0.000 2.202 349 I HA -0.074 4.097 4.170 0.001 0.000 0.242 349 I C 2.282 178.444 176.117 0.074 0.000 1.091 349 I CA 0.982 62.307 61.300 0.041 0.000 1.368 349 I CB -1.470 36.529 38.000 -0.002 0.000 1.058 349 I HN 0.139 nan 8.210 nan 0.000 0.410 350 V N 0.924 120.932 119.914 0.156 0.000 2.392 350 V HA -0.284 3.836 4.120 0.001 0.000 0.249 350 V C 2.567 178.727 176.094 0.111 0.000 1.059 350 V CA 1.999 64.383 62.300 0.141 0.000 1.051 350 V CB -0.641 31.227 31.823 0.076 0.000 0.658 350 V HN 0.462 nan 8.190 nan 0.000 0.455 351 E N -0.178 120.081 120.200 0.099 0.000 2.107 351 E HA -0.147 4.204 4.350 0.001 0.000 0.191 351 E C 2.237 178.896 176.600 0.098 0.000 0.982 351 E CA 1.047 57.508 56.400 0.102 0.000 0.809 351 E CB -0.169 29.582 29.700 0.084 0.000 0.756 351 E HN 0.584 nan 8.360 nan 0.000 0.459 352 A N 0.861 123.726 122.820 0.074 0.000 1.930 352 A HA -0.111 4.210 4.320 0.001 0.000 0.217 352 A C 2.128 179.758 177.584 0.076 0.000 1.175 352 A CA 0.810 52.886 52.037 0.064 0.000 0.627 352 A CB -0.520 18.499 19.000 0.032 0.000 0.815 352 A HN 0.270 nan 8.150 nan 0.000 0.443 353 L N -0.525 120.739 121.223 0.068 0.000 2.046 353 L HA -0.205 4.135 4.340 0.001 0.000 0.208 353 L C 2.504 179.449 176.870 0.124 0.000 1.077 353 L CA 1.773 56.658 54.840 0.076 0.000 0.747 353 L CB -0.611 41.483 42.059 0.059 0.000 0.896 353 L HN 0.497 nan 8.230 nan 0.000 0.432 354 D N 0.375 120.856 120.400 0.135 0.000 2.104 354 D HA -0.255 4.386 4.640 0.001 0.000 0.194 354 D C 1.826 178.291 176.300 0.275 0.000 0.994 354 D CA 1.842 55.943 54.000 0.168 0.000 0.830 354 D CB 0.058 40.969 40.800 0.186 0.000 0.959 354 D HN 0.273 nan 8.370 nan 0.000 0.452 355 N N 0.035 118.880 118.700 0.241 0.000 2.120 355 N HA -0.132 4.609 4.740 0.001 0.000 0.188 355 N C 1.721 177.379 175.510 0.246 0.000 1.024 355 N CA 1.891 55.098 53.050 0.262 0.000 0.852 355 N CB -0.213 38.368 38.487 0.157 0.000 1.003 355 N HN 0.163 nan 8.380 nan 0.000 0.424 356 A N -0.376 122.544 122.820 0.166 0.000 1.972 356 A HA -0.094 4.227 4.320 0.001 0.000 0.219 356 A C 2.063 179.706 177.584 0.100 0.000 1.169 356 A CA 1.027 53.132 52.037 0.112 0.000 0.635 356 A CB -1.118 17.925 19.000 0.072 0.000 0.810 356 A HN 0.506 nan 8.150 nan 0.000 0.446 357 F N -0.045 119.882 119.950 -0.039 0.000 2.043 357 F HA -0.302 4.226 4.527 0.001 0.000 0.297 357 F C 2.107 177.862 175.800 -0.075 0.000 1.118 357 F CA 2.233 60.146 58.000 -0.145 0.000 1.202 357 F CB -0.585 38.230 39.000 -0.309 0.000 0.965 357 F HN 0.330 nan 8.300 nan 0.000 0.482 358 Y N 0.442 120.882 120.300 0.234 0.000 2.200 358 Y HA -0.131 4.420 4.550 0.001 0.000 0.290 358 Y C 2.421 178.377 175.900 0.092 0.000 1.137 358 Y CA 1.650 59.841 58.100 0.152 0.000 1.163 358 Y CB -0.862 37.691 38.460 0.155 0.000 0.988 358 Y HN 0.026 nan 8.280 nan 0.000 0.518 359 K N 0.070 120.582 120.400 0.186 0.000 2.209 359 K HA -0.137 4.184 4.320 0.001 0.000 0.204 359 K C 2.191 178.786 176.600 -0.008 0.000 1.048 359 K CA 1.428 57.767 56.287 0.087 0.000 0.940 359 K CB -0.292 32.252 32.500 0.074 0.000 0.729 359 K HN 0.384 nan 8.250 nan 0.000 0.451 360 S N 0.431 116.060 115.700 -0.119 0.000 2.447 360 S HA -0.074 4.397 4.470 0.001 0.000 0.233 360 S C 0.732 175.113 174.600 -0.365 0.000 1.006 360 S CA 0.305 58.343 58.200 -0.269 0.000 0.957 360 S CB -0.409 62.544 63.200 -0.411 0.000 0.773 360 S HN 0.024 nan 8.310 nan 0.000 0.507 361 F N 2.255 122.020 119.950 -0.308 0.000 2.406 361 F HA 0.356 4.883 4.527 0.001 0.000 0.327 361 F C 0.929 176.623 175.800 -0.176 0.000 1.153 361 F CA -0.754 57.071 58.000 -0.292 0.000 1.218 361 F CB 0.583 39.397 39.000 -0.311 0.000 1.215 361 F HN -0.044 nan 8.300 nan 0.000 0.570 362 K N 2.930 123.365 120.400 0.058 0.000 2.220 362 K HA 0.232 4.552 4.320 0.001 0.000 0.283 362 K C -1.019 175.596 176.600 0.025 0.000 1.098 362 K CA -0.571 55.722 56.287 0.009 0.000 0.928 362 K CB -0.174 32.314 32.500 -0.020 0.000 1.214 362 K HN 0.357 nan 8.250 nan 0.000 0.442 363 L N 3.907 125.143 121.223 0.021 0.000 2.467 363 L HA 0.162 4.502 4.340 0.001 0.000 0.270 363 L C 0.191 177.058 176.870 -0.005 0.000 1.205 363 L CA 0.067 54.910 54.840 0.006 0.000 0.828 363 L CB 0.967 43.032 42.059 0.009 0.000 1.101 363 L HN 0.453 nan 8.230 nan 0.000 0.479 364 V N -1.451 118.454 119.914 -0.015 0.000 3.181 364 V HA 0.575 4.695 4.120 0.001 0.000 0.308 364 V C -0.463 175.623 176.094 -0.014 0.000 1.214 364 V CA -1.101 61.193 62.300 -0.010 0.000 1.053 364 V CB 1.716 33.537 31.823 -0.003 0.000 1.069 364 V HN 0.746 nan 8.190 nan 0.000 0.441 365 E N 3.253 123.451 120.200 -0.005 0.000 2.316 365 E HA 0.370 4.720 4.350 0.001 0.000 0.275 365 E C -2.274 174.325 176.600 -0.003 0.000 1.029 365 E CA -1.836 54.562 56.400 -0.004 0.000 0.871 365 E CB 1.214 30.916 29.700 0.003 0.000 1.022 365 E HN 0.709 nan 8.360 nan 0.000 0.418 366 P HA -0.058 nan 4.420 nan 0.000 0.270 366 P C 0.311 177.629 177.300 0.029 0.000 1.223 366 P CA 0.087 63.182 63.100 -0.009 0.000 0.785 366 P CB 1.009 32.694 31.700 -0.026 0.000 0.923 367 T N -3.436 111.161 114.554 0.071 0.000 3.037 367 T HA 0.234 4.584 4.350 0.001 0.000 0.252 367 T C 1.396 176.161 174.700 0.107 0.000 1.073 367 T CA 0.760 62.923 62.100 0.107 0.000 1.091 367 T CB -0.835 68.142 68.868 0.182 0.000 0.935 367 T HN 0.670 nan 8.240 nan 0.000 0.488 368 G N 1.705 110.579 108.800 0.123 0.000 2.148 368 G HA2 -0.247 3.714 3.960 0.001 0.000 0.254 368 G HA3 -0.247 3.714 3.960 0.001 0.000 0.254 368 G C 0.024 175.007 174.900 0.138 0.000 0.981 368 G CA 0.380 45.543 45.100 0.105 0.000 0.670 368 G HN 0.670 nan 8.290 nan 0.000 0.528 369 K N -0.352 120.186 120.400 0.230 0.000 2.098 369 K HA 0.524 4.845 4.320 0.001 0.000 0.244 369 K C 0.597 177.311 176.600 0.190 0.000 1.014 369 K CA -0.798 55.562 56.287 0.122 0.000 0.917 369 K CB 0.765 33.233 32.500 -0.052 0.000 1.072 369 K HN 0.181 nan 8.250 nan 0.000 0.477 370 R N 1.343 121.838 120.500 -0.009 0.000 2.216 370 R HA 0.215 4.555 4.340 0.001 0.000 0.332 370 R C -0.887 175.338 176.300 -0.125 0.000 1.056 370 R CA -0.163 55.954 56.100 0.028 0.000 0.901 370 R CB 0.133 30.421 30.300 -0.021 0.000 1.039 370 R HN 0.273 nan 8.270 nan 0.000 0.456 371 F N 2.828 122.759 119.950 -0.031 0.000 2.443 371 F HA 0.333 4.860 4.527 0.001 0.000 0.335 371 F C 0.078 175.865 175.800 -0.023 0.000 1.104 371 F CA -1.035 56.941 58.000 -0.041 0.000 1.013 371 F CB 1.348 40.363 39.000 0.025 0.000 1.136 371 F HN 0.180 nan 8.300 nan 0.000 0.470 372 L N 5.838 127.089 121.223 0.046 0.000 2.316 372 L HA 0.513 4.854 4.340 0.001 0.000 0.280 372 L C -1.375 175.622 176.870 0.213 0.000 1.006 372 L CA -0.483 54.398 54.840 0.068 0.000 0.836 372 L CB 0.946 42.928 42.059 -0.128 0.000 1.221 372 L HN 0.557 nan 8.230 nan 0.000 0.418 373 L N 5.343 126.732 121.223 0.277 0.000 2.265 373 L HA 0.591 4.932 4.340 0.001 0.000 0.289 373 L C 0.300 177.378 176.870 0.348 0.000 1.033 373 L CA -0.358 54.706 54.840 0.373 0.000 0.814 373 L CB 1.444 43.713 42.059 0.350 0.000 1.203 373 L HN 0.690 nan 8.230 nan 0.000 0.423 374 A N 5.657 128.741 122.820 0.440 0.000 2.273 374 A HA 0.715 5.036 4.320 0.001 0.000 0.315 374 A C -0.429 177.492 177.584 0.562 0.000 1.256 374 A CA -0.427 51.881 52.037 0.452 0.000 0.851 374 A CB 0.479 19.733 19.000 0.422 0.000 1.172 374 A HN 0.693 nan 8.150 nan 0.000 0.508 375 I N 2.484 123.235 120.570 0.301 0.000 2.315 375 I HA 0.137 4.307 4.170 0.001 0.000 0.291 375 I C -0.181 175.739 176.117 -0.329 0.000 1.006 375 I CA -0.535 60.818 61.300 0.088 0.000 1.265 375 I CB 1.315 39.291 38.000 -0.040 0.000 1.387 375 I HN 0.602 nan 8.210 nan 0.000 0.475 376 D N 6.908 127.022 120.400 -0.477 0.000 2.358 376 D HA 0.072 4.713 4.640 0.001 0.000 0.258 376 D C 0.481 176.487 176.300 -0.490 0.000 1.223 376 D CA -0.043 53.381 54.000 -0.960 0.000 0.886 376 D CB 1.324 41.870 40.800 -0.424 0.000 1.120 376 D HN 0.347 nan 8.370 nan 0.000 0.482 377 V N 1.765 121.384 119.914 -0.493 0.000 3.006 377 V HA 0.238 4.359 4.120 0.001 0.000 0.357 377 V C 0.744 176.714 176.094 -0.207 0.000 1.377 377 V CA -0.185 61.960 62.300 -0.259 0.000 1.198 377 V CB -0.742 30.968 31.823 -0.188 0.000 1.216 377 V HN 0.457 nan 8.190 nan 0.000 0.520 378 S N 0.919 116.483 115.700 -0.227 0.000 2.587 378 S HA 0.572 5.043 4.470 0.001 0.000 0.260 378 S C 1.687 176.170 174.600 -0.196 0.000 1.353 378 S CA 0.369 58.470 58.200 -0.164 0.000 0.995 378 S CB 1.392 64.517 63.200 -0.124 0.000 0.912 378 S HN 1.184 nan 8.310 nan 0.000 0.568 379 A N 1.502 124.197 122.820 -0.208 0.000 1.940 379 A HA -0.079 4.241 4.320 0.001 0.000 0.219 379 A C 2.516 179.766 177.584 -0.556 0.000 1.176 379 A CA 2.175 54.048 52.037 -0.273 0.000 0.631 379 A CB -1.768 17.118 19.000 -0.191 0.000 0.814 379 A HN 1.454 nan 8.150 nan 0.000 0.446 380 S N -0.932 114.260 115.700 -0.847 0.000 2.419 380 S HA -0.094 4.376 4.470 0.001 0.000 0.233 380 S C 1.611 175.957 174.600 -0.424 0.000 1.016 380 S CA 1.414 58.899 58.200 -1.192 0.000 0.974 380 S CB -0.426 62.340 63.200 -0.723 0.000 0.786 380 S HN 0.375 nan 8.310 nan 0.000 0.492 381 M N 2.261 121.705 119.600 -0.261 0.000 2.686 381 M HA 0.145 4.626 4.480 0.001 0.000 0.246 381 M C 1.623 177.869 176.300 -0.090 0.000 1.096 381 M CA 0.265 55.484 55.300 -0.134 0.000 1.076 381 M CB -1.576 30.949 32.600 -0.125 0.000 1.504 381 M HN 0.584 nan 8.290 nan 0.000 0.524 382 N N 1.497 120.141 118.700 -0.093 0.000 2.461 382 N HA -0.034 4.706 4.740 0.001 0.000 0.188 382 N C 0.114 175.638 175.510 0.024 0.000 1.134 382 N CA -0.147 52.889 53.050 -0.024 0.000 0.878 382 N CB 0.522 39.007 38.487 -0.004 0.000 0.972 382 N HN 0.534 nan 8.380 nan 0.000 0.456 383 Q N 1.212 121.033 119.800 0.035 0.000 2.330 383 Q HA 0.096 4.437 4.340 0.001 0.000 0.279 383 Q C -0.591 175.427 176.000 0.029 0.000 1.024 383 Q CA -0.103 55.734 55.803 0.058 0.000 0.900 383 Q CB 0.711 29.490 28.738 0.068 0.000 1.221 383 Q HN -0.045 nan 8.270 nan 0.000 0.396 384 R N 1.191 121.713 120.500 0.036 0.000 2.694 384 R HA 0.253 4.593 4.340 0.001 0.000 0.268 384 R C -0.300 176.025 176.300 0.042 0.000 1.061 384 R CA -0.095 56.032 56.100 0.045 0.000 1.133 384 R CB 0.951 31.281 30.300 0.050 0.000 1.020 384 R HN 0.641 nan 8.270 nan 0.000 0.475 385 V N 1.023 120.982 119.914 0.074 0.000 2.604 385 V HA 0.426 4.546 4.120 0.001 0.000 0.305 385 V C 0.319 176.457 176.094 0.073 0.000 1.043 385 V CA -1.005 61.331 62.300 0.060 0.000 0.888 385 V CB 1.375 33.237 31.823 0.064 0.000 0.995 385 V HN 0.797 nan 8.190 nan 0.000 0.429 386 L N 3.959 125.186 121.223 0.006 0.000 3.839 386 L HA -0.195 4.145 4.340 0.001 0.000 0.416 386 L C 1.508 178.425 176.870 0.078 0.000 1.195 386 L CA 0.717 55.537 54.840 -0.034 0.000 0.946 386 L CB -1.519 40.357 42.059 -0.306 0.000 1.891 386 L HN 1.696 nan 8.230 nan 0.000 0.963 387 G N -0.368 108.480 108.800 0.080 0.000 2.258 387 G HA2 -0.337 3.624 3.960 0.001 0.000 0.274 387 G HA3 -0.337 3.624 3.960 0.001 0.000 0.274 387 G C 0.503 175.477 174.900 0.124 0.000 1.021 387 G CA 0.869 46.022 45.100 0.090 0.000 0.798 387 G HN 0.988 nan 8.290 nan 0.000 0.507 388 S N -1.316 114.485 115.700 0.168 0.000 2.718 388 S HA 0.740 5.210 4.470 0.001 0.000 0.292 388 S C 1.325 175.990 174.600 0.108 0.000 1.125 388 S CA -0.377 57.925 58.200 0.171 0.000 1.013 388 S CB 1.306 64.677 63.200 0.285 0.000 1.192 388 S HN 0.417 nan 8.310 nan 0.000 0.535 389 I N 0.017 120.631 120.570 0.073 0.000 3.883 389 I HA 0.231 4.402 4.170 0.001 0.000 0.326 389 I C -0.360 175.781 176.117 0.041 0.000 1.283 389 I CA 0.099 61.428 61.300 0.049 0.000 1.161 389 I CB -0.350 37.669 38.000 0.032 0.000 1.012 389 I HN 0.286 nan 8.210 nan 0.000 0.421 390 L N 2.656 123.912 121.223 0.054 0.000 2.290 390 L HA 0.263 4.604 4.340 0.001 0.000 0.284 390 L C 0.100 177.008 176.870 0.062 0.000 1.078 390 L CA -0.611 54.254 54.840 0.042 0.000 0.815 390 L CB 0.258 42.330 42.059 0.021 0.000 1.162 390 L HN 0.248 nan 8.230 nan 0.000 0.435 391 N N 2.401 121.120 118.700 0.033 0.000 2.379 391 N HA 0.280 5.020 4.740 0.001 0.000 0.260 391 N C 0.768 176.292 175.510 0.023 0.000 1.254 391 N CA -0.117 52.948 53.050 0.024 0.000 0.958 391 N CB 0.687 39.177 38.487 0.005 0.000 1.208 391 N HN 0.570 nan 8.380 nan 0.000 0.532 392 A N -0.151 122.671 122.820 0.003 0.000 1.972 392 A HA -0.120 4.200 4.320 0.001 0.000 0.219 392 A C 2.047 179.641 177.584 0.016 0.000 1.169 392 A CA 1.600 53.639 52.037 0.003 0.000 0.635 392 A CB -1.175 17.804 19.000 -0.035 0.000 0.810 392 A HN 0.678 nan 8.150 nan 0.000 0.446 393 S N -0.595 115.095 115.700 -0.016 0.000 2.383 393 S HA -0.094 4.377 4.470 0.001 0.000 0.227 393 S C 1.868 176.454 174.600 -0.023 0.000 1.026 393 S CA 1.269 59.448 58.200 -0.034 0.000 0.981 393 S CB -0.317 62.843 63.200 -0.066 0.000 0.818 393 S HN 0.353 nan 8.310 nan 0.000 0.472 394 V N 1.535 121.442 119.914 -0.010 0.000 2.307 394 V HA -0.129 3.992 4.120 0.001 0.000 0.245 394 V C 2.316 178.424 176.094 0.024 0.000 1.045 394 V CA 1.431 63.726 62.300 -0.009 0.000 1.024 394 V CB -0.689 31.127 31.823 -0.011 0.000 0.651 394 V HN 0.339 nan 8.190 nan 0.000 0.449 395 V N 0.435 120.382 119.914 0.055 0.000 2.343 395 V HA -0.253 3.868 4.120 0.001 0.000 0.247 395 V C 2.686 178.939 176.094 0.265 0.000 1.051 395 V CA 2.032 64.397 62.300 0.109 0.000 1.036 395 V CB -1.220 30.644 31.823 0.068 0.000 0.654 395 V HN 0.556 nan 8.190 nan 0.000 0.451 396 A N -0.023 122.888 122.820 0.151 0.000 1.930 396 A HA -0.039 4.282 4.320 0.001 0.000 0.217 396 A C 2.417 179.858 177.584 -0.239 0.000 1.175 396 A CA 1.850 53.897 52.037 0.017 0.000 0.627 396 A CB -0.683 18.337 19.000 0.033 0.000 0.815 396 A HN 0.564 nan 8.150 nan 0.000 0.443 397 A N -0.049 122.703 122.820 -0.113 0.000 1.933 397 A HA 0.160 4.480 4.320 0.001 0.000 0.218 397 A C 2.472 180.025 177.584 -0.051 0.000 1.175 397 A CA 1.985 53.948 52.037 -0.122 0.000 0.628 397 A CB -0.915 18.042 19.000 -0.072 0.000 0.814 397 A HN 1.011 nan 8.150 nan 0.000 0.444 398 A N -1.012 121.852 122.820 0.074 0.000 1.898 398 A HA -0.091 4.229 4.320 0.001 0.000 0.216 398 A C 2.164 179.909 177.584 0.268 0.000 1.181 398 A CA 1.866 54.004 52.037 0.168 0.000 0.620 398 A CB -0.447 18.757 19.000 0.340 0.000 0.819 398 A HN 0.414 nan 8.150 nan 0.000 0.442 399 M N -0.714 119.038 119.600 0.253 0.000 2.132 399 M HA -0.136 4.345 4.480 0.001 0.000 0.263 399 M C 2.388 178.660 176.300 -0.047 0.000 1.065 399 M CA 1.109 56.466 55.300 0.095 0.000 1.122 399 M CB -1.694 31.065 32.600 0.266 0.000 1.365 399 M HN 0.554 nan 8.290 nan 0.000 0.411 400 C N 0.112 119.257 119.300 -0.258 0.000 2.429 400 C HA -0.161 4.299 4.460 0.001 0.000 0.277 400 C C 2.924 177.899 174.990 -0.024 0.000 1.262 400 C CA 0.733 59.640 59.018 -0.184 0.000 1.733 400 C CB -0.749 26.826 27.740 -0.276 0.000 2.010 400 C HN 0.525 nan 8.230 nan 0.000 0.483 401 M N -0.060 119.555 119.600 0.025 0.000 2.149 401 M HA -0.122 4.358 4.480 0.001 0.000 0.261 401 M C 2.147 178.549 176.300 0.169 0.000 1.064 401 M CA 1.414 56.781 55.300 0.111 0.000 1.102 401 M CB -1.424 31.291 32.600 0.193 0.000 1.369 401 M HN 0.386 nan 8.290 nan 0.000 0.408 402 L N 0.187 121.523 121.223 0.189 0.000 1.994 402 L HA -0.121 4.219 4.340 0.001 0.000 0.208 402 L C 2.329 179.149 176.870 -0.084 0.000 1.071 402 L CA 1.617 56.500 54.840 0.071 0.000 0.745 402 L CB -0.827 41.023 42.059 -0.348 0.000 0.892 402 L HN 0.035 nan 8.230 nan 0.000 0.431 403 V N 0.270 120.132 119.914 -0.088 0.000 2.295 403 V HA -0.285 3.835 4.120 0.001 0.000 0.246 403 V C 2.807 178.806 176.094 -0.159 0.000 1.049 403 V CA 1.675 63.898 62.300 -0.128 0.000 1.024 403 V CB -1.511 30.292 31.823 -0.033 0.000 0.648 403 V HN 0.618 nan 8.190 nan 0.000 0.447 404 A N -0.305 122.466 122.820 -0.082 0.000 2.019 404 A HA -0.178 4.143 4.320 0.001 0.000 0.219 404 A C 2.294 179.813 177.584 -0.107 0.000 1.164 404 A CA 1.353 53.344 52.037 -0.077 0.000 0.644 404 A CB -0.385 18.600 19.000 -0.025 0.000 0.805 404 A HN 0.471 nan 8.150 nan 0.000 0.449 405 R N -1.117 119.305 120.500 -0.130 0.000 2.276 405 R HA 0.034 4.374 4.340 0.001 0.000 0.196 405 R C 1.404 177.606 176.300 -0.164 0.000 0.961 405 R CA 1.252 57.245 56.100 -0.177 0.000 1.024 405 R CB -0.344 29.768 30.300 -0.312 0.000 0.940 405 R HN 0.507 nan 8.270 nan 0.000 0.480 406 T N 0.484 114.939 114.554 -0.164 0.000 2.983 406 T HA 0.044 4.394 4.350 0.001 0.000 0.250 406 T C 0.493 175.094 174.700 -0.166 0.000 1.037 406 T CA 0.689 62.694 62.100 -0.157 0.000 1.142 406 T CB 0.310 69.075 68.868 -0.172 0.000 0.876 406 T HN 0.021 nan 8.240 nan 0.000 0.455 407 E N 1.883 121.945 120.200 -0.230 0.000 2.063 407 E HA 0.274 4.625 4.350 0.001 0.000 0.265 407 E C 0.314 176.844 176.600 -0.116 0.000 0.919 407 E CA -0.182 56.082 56.400 -0.227 0.000 0.756 407 E CB 1.484 30.856 29.700 -0.546 0.000 1.120 407 E HN 0.354 nan 8.360 nan 0.000 0.414 408 K N 0.879 121.244 120.400 -0.058 0.000 2.113 408 K HA -0.140 4.180 4.320 0.001 0.000 0.208 408 K C 0.822 177.427 176.600 0.007 0.000 1.047 408 K CA 0.938 57.208 56.287 -0.028 0.000 0.928 408 K CB 0.234 32.724 32.500 -0.016 0.000 0.716 408 K HN 0.219 nan 8.250 nan 0.000 0.446 409 D N 1.538 121.966 120.400 0.046 0.000 2.845 409 D HA 0.088 4.729 4.640 0.001 0.000 0.235 409 D C -1.031 175.363 176.300 0.157 0.000 1.158 409 D CA 0.192 54.251 54.000 0.100 0.000 0.990 409 D CB 0.111 40.986 40.800 0.125 0.000 1.094 409 D HN -0.038 nan 8.370 nan 0.000 0.486 410 S N 0.849 116.614 115.700 0.108 0.000 2.513 410 S HA 0.295 4.765 4.470 0.001 0.000 0.299 410 S C -0.660 174.047 174.600 0.179 0.000 1.087 410 S CA -0.732 57.560 58.200 0.152 0.000 1.012 410 S CB 2.239 65.472 63.200 0.055 0.000 1.044 410 S HN 0.374 nan 8.310 nan 0.000 0.485 411 H N 2.592 121.734 119.070 0.120 0.000 2.727 411 H HA 0.478 5.035 4.556 0.001 0.000 0.330 411 H C -1.241 174.153 175.328 0.111 0.000 0.986 411 H CA -0.694 55.422 56.048 0.113 0.000 1.251 411 H CB 0.634 30.485 29.762 0.148 0.000 1.493 411 H HN 0.551 nan 8.280 nan 0.000 0.515 412 M N 5.234 125.078 119.600 0.406 0.000 2.264 412 M HA 0.408 4.888 4.480 0.001 0.000 0.352 412 M C -0.286 176.170 176.300 0.260 0.000 1.173 412 M CA -0.955 54.501 55.300 0.261 0.000 1.075 412 M CB 1.687 34.356 32.600 0.116 0.000 1.621 412 M HN 0.421 nan 8.290 nan 0.000 0.457 413 V N -0.300 119.690 119.914 0.127 0.000 3.188 413 V HA 1.057 5.177 4.120 0.001 0.000 0.305 413 V C -1.191 174.933 176.094 0.051 0.000 1.232 413 V CA -0.921 61.382 62.300 0.004 0.000 1.043 413 V CB 1.638 33.319 31.823 -0.235 0.000 1.068 413 V HN 0.972 nan 8.190 nan 0.000 0.439 414 A N 1.855 124.684 122.820 0.015 0.000 2.430 414 A HA 1.114 5.435 4.320 0.001 0.000 0.300 414 A C -1.013 176.640 177.584 0.116 0.000 1.124 414 A CA -0.488 51.568 52.037 0.030 0.000 0.766 414 A CB 1.909 20.883 19.000 -0.043 0.000 1.328 414 A HN 2.342 nan 8.150 nan 0.000 0.424 415 F N -1.125 118.798 119.950 -0.045 0.000 2.725 415 F HA 0.666 5.193 4.527 0.001 0.000 0.309 415 F C 0.118 175.904 175.800 -0.023 0.000 1.132 415 F CA 0.049 58.022 58.000 -0.045 0.000 0.957 415 F CB 0.618 39.591 39.000 -0.046 0.000 1.286 415 F HN 0.844 nan 8.300 nan 0.000 0.440 416 S N 0.177 115.955 115.700 0.130 0.000 3.576 416 S HA 0.278 4.749 4.470 0.001 0.000 0.179 416 S C 0.181 174.897 174.600 0.194 0.000 0.977 416 S CA 0.509 58.743 58.200 0.057 0.000 1.189 416 S CB -0.156 63.036 63.200 -0.012 0.000 1.443 416 S HN 0.769 nan 8.310 nan 0.000 0.874 417 D N 1.385 121.850 120.400 0.109 0.000 2.395 417 D HA 0.289 4.929 4.640 0.001 0.000 0.213 417 D C 0.292 176.642 176.300 0.084 0.000 1.110 417 D CA -0.150 53.906 54.000 0.094 0.000 0.835 417 D CB 0.001 40.834 40.800 0.054 0.000 0.965 417 D HN 0.795 nan 8.370 nan 0.000 0.505 418 E N -0.318 119.942 120.200 0.099 0.000 2.392 418 E HA 0.297 4.648 4.350 0.001 0.000 0.279 418 E C -0.997 175.656 176.600 0.089 0.000 0.964 418 E CA -0.960 55.487 56.400 0.079 0.000 0.777 418 E CB 1.314 31.047 29.700 0.056 0.000 1.249 418 E HN -0.272 nan 8.360 nan 0.000 0.449 419 M N 2.517 122.147 119.600 0.049 0.000 2.217 419 M HA 0.292 4.773 4.480 0.001 0.000 0.354 419 M C -0.717 175.563 176.300 -0.034 0.000 1.225 419 M CA -0.328 54.955 55.300 -0.029 0.000 1.137 419 M CB 0.179 32.658 32.600 -0.202 0.000 1.576 419 M HN 0.487 nan 8.290 nan 0.000 0.461 420 L N 4.889 126.086 121.223 -0.044 0.000 2.354 420 L HA 0.655 4.995 4.340 0.001 0.000 0.264 420 L C -2.102 174.733 176.870 -0.058 0.000 1.008 420 L CA -1.940 52.879 54.840 -0.035 0.000 0.819 420 L CB 1.489 43.536 42.059 -0.019 0.000 1.339 420 L HN 0.425 nan 8.230 nan 0.000 0.420 421 P HA 0.092 nan 4.420 nan 0.000 0.275 421 P C -0.549 176.741 177.300 -0.016 0.000 1.228 421 P CA -0.356 62.733 63.100 -0.018 0.000 0.786 421 P CB 1.176 32.879 31.700 0.006 0.000 0.927 422 C N 5.601 124.899 119.300 -0.003 0.000 2.482 422 C HA 0.250 4.711 4.460 0.001 0.000 0.378 422 C C -0.674 174.310 174.990 -0.010 0.000 1.284 422 C CA -1.402 57.613 59.018 -0.005 0.000 1.826 422 C CB -0.378 27.371 27.740 0.015 0.000 2.473 422 C HN 0.498 nan 8.230 nan 0.000 0.562 423 P HA 0.122 nan 4.420 nan 0.000 0.255 423 P C -0.232 177.050 177.300 -0.028 0.000 1.357 423 P CA 0.561 63.648 63.100 -0.023 0.000 0.839 423 P CB -0.381 31.304 31.700 -0.026 0.000 1.356 424 I N -2.802 117.752 120.570 -0.028 0.000 2.892 424 I HA 0.714 4.885 4.170 0.001 0.000 0.306 424 I C -0.893 175.207 176.117 -0.028 0.000 1.078 424 I CA -0.997 60.282 61.300 -0.034 0.000 1.032 424 I CB 2.672 40.648 38.000 -0.040 0.000 1.229 424 I HN -0.282 nan 8.210 nan 0.000 0.435 425 T N 0.492 115.027 114.554 -0.032 0.000 2.906 425 T HA 0.405 4.755 4.350 0.001 0.000 0.295 425 T C 0.719 175.401 174.700 -0.030 0.000 1.075 425 T CA -0.736 61.345 62.100 -0.031 0.000 1.005 425 T CB 1.819 70.667 68.868 -0.033 0.000 1.136 425 T HN 0.427 nan 8.240 nan 0.000 0.498 426 V N 1.360 121.254 119.914 -0.034 0.000 2.720 426 V HA -0.127 3.993 4.120 0.001 0.000 0.256 426 V C 1.839 177.903 176.094 -0.049 0.000 1.082 426 V CA 1.522 63.797 62.300 -0.043 0.000 1.101 426 V CB -0.949 30.842 31.823 -0.054 0.000 0.693 426 V HN 0.771 nan 8.190 nan 0.000 0.479 427 N N -0.939 117.737 118.700 -0.040 0.000 2.353 427 N HA 0.170 4.911 4.740 0.001 0.000 0.185 427 N C 0.658 176.153 175.510 -0.024 0.000 1.098 427 N CA 0.234 53.263 53.050 -0.034 0.000 0.872 427 N CB -0.060 38.410 38.487 -0.029 0.000 0.970 427 N HN 0.445 nan 8.380 nan 0.000 0.467 428 M N 0.592 120.174 119.600 -0.029 0.000 2.232 428 M HA 0.103 4.584 4.480 0.001 0.000 0.321 428 M C 0.292 176.575 176.300 -0.028 0.000 1.101 428 M CA 0.152 55.425 55.300 -0.044 0.000 1.181 428 M CB 0.806 33.366 32.600 -0.067 0.000 1.432 428 M HN -0.125 nan 8.290 nan 0.000 0.457 429 L N 1.719 122.898 121.223 -0.074 0.000 2.357 429 L HA 0.177 4.517 4.340 0.001 0.000 0.273 429 L C 1.328 178.124 176.870 -0.124 0.000 1.080 429 L CA -0.443 54.375 54.840 -0.036 0.000 0.803 429 L CB 1.002 43.068 42.059 0.011 0.000 1.174 429 L HN 0.767 nan 8.230 nan 0.000 0.443 430 L N 2.228 123.424 121.223 -0.044 0.000 2.021 430 L HA -0.302 4.038 4.340 0.001 0.000 0.215 430 L C 2.688 179.487 176.870 -0.118 0.000 1.074 430 L CA 1.659 56.423 54.840 -0.127 0.000 0.760 430 L CB -0.702 41.222 42.059 -0.225 0.000 0.889 430 L HN 0.846 nan 8.230 nan 0.000 0.433 431 H N -0.626 118.413 119.070 -0.051 0.000 2.456 431 H HA -0.203 4.354 4.556 0.001 0.000 0.296 431 H C 1.836 177.145 175.328 -0.031 0.000 1.079 431 H CA 1.588 57.614 56.048 -0.037 0.000 1.322 431 H CB -0.315 29.442 29.762 -0.009 0.000 1.388 431 H HN 0.540 nan 8.280 nan 0.000 0.538 432 E N 1.561 121.348 120.200 -0.688 0.000 2.107 432 E HA -0.108 4.242 4.350 0.001 0.000 0.191 432 E C 2.500 178.983 176.600 -0.194 0.000 0.982 432 E CA 1.346 57.492 56.400 -0.423 0.000 0.809 432 E CB 0.151 29.594 29.700 -0.428 0.000 0.756 432 E HN 0.364 nan 8.360 nan 0.000 0.459 433 V N -1.185 118.629 119.914 -0.168 0.000 2.515 433 V HA -0.143 3.977 4.120 0.001 0.000 0.250 433 V C 2.156 178.200 176.094 -0.084 0.000 1.058 433 V CA 1.354 63.592 62.300 -0.105 0.000 1.064 433 V CB -0.378 31.391 31.823 -0.091 0.000 0.675 433 V HN 0.110 nan 8.190 nan 0.000 0.461 434 V N 2.089 121.953 119.914 -0.084 0.000 2.358 434 V HA -0.214 3.907 4.120 0.001 0.000 0.246 434 V C 2.881 178.953 176.094 -0.037 0.000 1.047 434 V CA 2.449 64.717 62.300 -0.053 0.000 1.035 434 V CB -0.916 30.884 31.823 -0.038 0.000 0.658 434 V HN 0.760 nan 8.190 nan 0.000 0.452 435 E N 0.139 120.318 120.200 -0.035 0.000 2.106 435 E HA -0.201 4.149 4.350 0.001 0.000 0.192 435 E C 1.860 178.442 176.600 -0.030 0.000 0.984 435 E CA 0.820 57.208 56.400 -0.020 0.000 0.806 435 E CB -0.312 29.384 29.700 -0.007 0.000 0.750 435 E HN 0.425 nan 8.360 nan 0.000 0.458 436 K N -0.080 120.294 120.400 -0.044 0.000 2.504 436 K HA 0.026 4.346 4.320 0.001 0.000 0.195 436 K C 1.425 178.002 176.600 -0.039 0.000 1.036 436 K CA 0.618 56.880 56.287 -0.040 0.000 0.984 436 K CB 0.078 32.549 32.500 -0.048 0.000 0.788 436 K HN 0.173 nan 8.250 nan 0.000 0.488 437 M N -1.027 118.549 119.600 -0.040 0.000 2.449 437 M HA 0.094 4.575 4.480 0.001 0.000 0.262 437 M C 1.242 177.521 176.300 -0.035 0.000 1.152 437 M CA 0.436 55.711 55.300 -0.041 0.000 1.104 437 M CB 0.719 33.291 32.600 -0.046 0.000 1.416 437 M HN -0.233 nan 8.290 nan 0.000 0.519 438 S N 0.234 115.918 115.700 -0.027 0.000 2.859 438 S HA 0.076 4.546 4.470 0.001 0.000 0.245 438 S C 0.277 174.865 174.600 -0.020 0.000 1.008 438 S CA 0.377 58.564 58.200 -0.022 0.000 1.089 438 S CB -0.424 62.768 63.200 -0.013 0.000 0.798 438 S HN 0.348 nan 8.310 nan 0.000 0.477 439 D N 0.025 120.410 120.400 -0.024 0.000 2.497 439 D HA 0.210 4.851 4.640 0.001 0.000 0.256 439 D C 0.813 177.097 176.300 -0.027 0.000 1.273 439 D CA -0.147 53.840 54.000 -0.022 0.000 0.812 439 D CB 0.305 41.094 40.800 -0.018 0.000 1.190 439 D HN 0.428 nan 8.370 nan 0.000 0.524 440 I N 0.859 121.407 120.570 -0.036 0.000 2.703 440 I HA 0.002 4.173 4.170 0.001 0.000 0.259 440 I C 0.628 176.711 176.117 -0.056 0.000 1.151 440 I CA 0.833 62.106 61.300 -0.045 0.000 1.470 440 I CB -0.142 37.826 38.000 -0.054 0.000 1.112 440 I HN -0.079 nan 8.210 nan 0.000 0.437 441 T N 1.002 115.520 114.554 -0.061 0.000 2.866 441 T HA 0.275 4.625 4.350 0.001 0.000 0.293 441 T C -0.164 174.497 174.700 -0.065 0.000 1.005 441 T CA -0.012 62.042 62.100 -0.077 0.000 1.162 441 T CB 0.284 69.106 68.868 -0.077 0.000 0.968 441 T HN 0.344 nan 8.240 nan 0.000 0.530 442 M N 2.200 121.754 119.600 -0.076 0.000 2.724 442 M HA 0.469 4.949 4.480 0.001 0.000 0.280 442 M C 0.097 176.365 176.300 -0.053 0.000 1.090 442 M CA 0.534 55.802 55.300 -0.053 0.000 0.838 442 M CB 1.363 33.942 32.600 -0.035 0.000 1.729 442 M HN 1.450 nan 8.290 nan 0.000 0.530 443 G N 1.771 110.551 108.800 -0.034 0.000 2.750 443 G HA2 -0.156 3.804 3.960 0.001 0.000 0.228 443 G HA3 -0.156 3.804 3.960 0.001 0.000 0.228 443 G C -0.654 174.233 174.900 -0.022 0.000 1.367 443 G CA -0.161 44.928 45.100 -0.018 0.000 0.871 443 G HN 0.860 nan 8.290 nan 0.000 0.560 444 S N -0.941 114.762 115.700 0.006 0.000 2.686 444 S HA 0.742 5.213 4.470 0.001 0.000 0.270 444 S C 0.443 175.063 174.600 0.033 0.000 1.194 444 S CA 0.411 58.624 58.200 0.020 0.000 0.990 444 S CB 1.130 64.349 63.200 0.031 0.000 1.029 444 S HN 1.035 nan 8.310 nan 0.000 0.560 445 T N 1.937 116.521 114.554 0.050 0.000 2.791 445 T HA 0.367 4.718 4.350 0.001 0.000 0.288 445 T C -1.109 173.651 174.700 0.101 0.000 0.999 445 T CA -0.551 61.605 62.100 0.093 0.000 0.952 445 T CB 0.889 69.805 68.868 0.081 0.000 0.938 445 T HN 0.410 nan 8.240 nan 0.000 0.444 446 D N 2.097 122.596 120.400 0.165 0.000 2.412 446 D HA 0.223 4.864 4.640 0.001 0.000 0.276 446 D C 0.710 177.028 176.300 0.029 0.000 1.196 446 D CA -0.761 53.285 54.000 0.077 0.000 0.905 446 D CB 0.095 40.920 40.800 0.043 0.000 1.081 446 D HN 0.508 nan 8.370 nan 0.000 0.502 447 C N 1.980 121.304 119.300 0.041 0.000 2.443 447 C HA 0.071 4.531 4.460 0.001 0.000 0.290 447 C C 2.284 177.140 174.990 -0.224 0.000 1.476 447 C CA 0.871 59.850 59.018 -0.063 0.000 1.772 447 C CB -1.435 26.349 27.740 0.073 0.000 1.714 447 C HN 0.693 nan 8.230 nan 0.000 0.562 448 A N -0.076 122.640 122.820 -0.174 0.000 2.132 448 A HA 0.141 4.462 4.320 0.001 0.000 0.213 448 A C 1.976 179.434 177.584 -0.211 0.000 1.154 448 A CA 0.471 52.409 52.037 -0.164 0.000 0.753 448 A CB -0.316 18.631 19.000 -0.087 0.000 0.826 448 A HN 0.557 nan 8.150 nan 0.000 0.469 449 L N -0.147 120.921 121.223 -0.258 0.000 2.010 449 L HA -0.216 4.124 4.340 0.001 0.000 0.219 449 L C -0.368 176.409 176.870 -0.155 0.000 1.077 449 L CA 2.138 56.859 54.840 -0.198 0.000 0.773 449 L CB -1.714 40.206 42.059 -0.231 0.000 0.892 449 L HN 0.228 nan 8.230 nan 0.000 0.436 450 P HA -0.211 nan 4.420 nan 0.000 0.216 450 P C 1.636 178.905 177.300 -0.052 0.000 1.157 450 P CA 1.665 64.691 63.100 -0.124 0.000 0.880 450 P CB 0.005 31.583 31.700 -0.203 0.000 0.791 451 M N -2.017 117.364 119.600 -0.366 0.000 2.200 451 M HA -0.055 4.426 4.480 0.001 0.000 0.265 451 M C 2.071 178.320 176.300 -0.085 0.000 1.066 451 M CA 1.593 56.578 55.300 -0.525 0.000 1.127 451 M CB -1.325 30.889 32.600 -0.643 0.000 1.379 451 M HN -0.139 nan 8.290 nan 0.000 0.420 452 L N -2.267 118.941 121.223 -0.025 0.000 2.056 452 L HA -0.191 4.150 4.340 0.001 0.000 0.207 452 L C 2.388 179.328 176.870 0.117 0.000 1.078 452 L CA 1.228 56.098 54.840 0.051 0.000 0.749 452 L CB -0.750 41.327 42.059 0.030 0.000 0.901 452 L HN 0.483 nan 8.230 nan 0.000 0.433 453 W N 1.098 122.391 121.300 -0.012 0.000 2.355 453 W HA -0.235 4.426 4.660 0.001 0.000 0.309 453 W C 2.528 179.094 176.519 0.078 0.000 1.206 453 W CA 1.842 59.201 57.345 0.024 0.000 1.284 453 W CB -0.179 29.283 29.460 0.004 0.000 1.145 453 W HN 0.099 nan 8.180 nan 0.000 0.502 454 A N 0.107 123.002 122.820 0.125 0.000 1.933 454 A HA -0.274 4.047 4.320 0.001 0.000 0.218 454 A C 2.079 179.718 177.584 0.091 0.000 1.175 454 A CA 1.917 53.966 52.037 0.019 0.000 0.628 454 A CB -1.026 18.207 19.000 0.387 0.000 0.814 454 A HN 0.491 nan 8.150 nan 0.000 0.444 455 Q N -0.069 119.852 119.800 0.203 0.000 1.990 455 Q HA -0.175 4.165 4.340 0.001 0.000 0.200 455 Q C 2.023 177.990 176.000 -0.056 0.000 0.980 455 Q CA 1.641 57.508 55.803 0.106 0.000 0.832 455 Q CB -0.401 28.410 28.738 0.123 0.000 0.897 455 Q HN 0.431 nan 8.270 nan 0.000 0.427 456 K N 0.225 120.575 120.400 -0.083 0.000 2.089 456 K HA -0.137 4.184 4.320 0.001 0.000 0.210 456 K C 1.926 178.415 176.600 -0.186 0.000 1.048 456 K CA 2.031 58.249 56.287 -0.116 0.000 0.926 456 K CB -0.602 31.840 32.500 -0.095 0.000 0.714 456 K HN 0.527 nan 8.250 nan 0.000 0.448 457 T N -1.723 112.622 114.554 -0.348 0.000 3.107 457 T HA 0.084 4.434 4.350 0.001 0.000 0.249 457 T C 0.334 174.884 174.700 -0.251 0.000 1.096 457 T CA -0.128 61.750 62.100 -0.370 0.000 1.012 457 T CB -0.122 68.318 68.868 -0.714 0.000 0.977 457 T HN 0.160 nan 8.240 nan 0.000 0.527 458 N N 1.302 119.894 118.700 -0.179 0.000 2.735 458 N HA -0.118 4.622 4.740 0.001 0.000 0.248 458 N C -0.931 174.534 175.510 -0.076 0.000 1.083 458 N CA 1.023 54.009 53.050 -0.106 0.000 0.703 458 N CB -1.768 36.667 38.487 -0.086 0.000 1.005 458 N HN 0.525 nan 8.380 nan 0.000 0.550 459 T N 0.535 115.035 114.554 -0.090 0.000 2.729 459 T HA 0.484 4.834 4.350 0.001 0.000 0.296 459 T C 0.724 175.493 174.700 0.115 0.000 0.928 459 T CA -0.269 61.813 62.100 -0.029 0.000 1.045 459 T CB 1.383 70.167 68.868 -0.139 0.000 0.902 459 T HN 0.330 nan 8.240 nan 0.000 0.500 460 A N 3.161 126.034 122.820 0.088 0.000 2.354 460 A HA 0.686 5.006 4.320 0.001 0.000 0.281 460 A C 0.326 177.941 177.584 0.053 0.000 1.174 460 A CA -0.653 51.453 52.037 0.115 0.000 0.828 460 A CB -0.058 18.972 19.000 0.050 0.000 1.099 460 A HN 1.042 nan 8.150 nan 0.000 0.516 461 A N 2.549 125.381 122.820 0.021 0.000 2.427 461 A HA 0.597 4.917 4.320 0.001 0.000 0.298 461 A C 0.039 177.444 177.584 -0.298 0.000 1.036 461 A CA -0.580 51.291 52.037 -0.277 0.000 0.701 461 A CB 0.952 19.523 19.000 -0.715 0.000 1.250 461 A HN 0.705 nan 8.150 nan 0.000 0.412 462 D N 0.929 121.147 120.400 -0.304 0.000 2.183 462 D HA 0.062 4.703 4.640 0.001 0.000 0.205 462 D C 0.292 176.370 176.300 -0.371 0.000 0.962 462 D CA 1.390 55.229 54.000 -0.268 0.000 0.849 462 D CB 0.362 41.001 40.800 -0.269 0.000 0.978 462 D HN 0.421 nan 8.370 nan 0.000 0.488 463 I N 0.753 120.971 120.570 -0.587 0.000 2.498 463 I HA 0.263 4.433 4.170 0.001 0.000 0.290 463 I C -0.769 175.096 176.117 -0.420 0.000 1.032 463 I CA -0.665 60.340 61.300 -0.491 0.000 1.073 463 I CB 1.371 38.895 38.000 -0.794 0.000 1.251 463 I HN -0.272 nan 8.210 nan 0.000 0.426 464 F N 6.032 125.941 119.950 -0.069 0.000 2.411 464 F HA 0.518 5.046 4.527 0.001 0.000 0.352 464 F C 0.404 176.227 175.800 0.037 0.000 1.123 464 F CA -0.418 57.570 58.000 -0.020 0.000 1.044 464 F CB 1.320 40.274 39.000 -0.076 0.000 1.135 464 F HN 0.164 nan 8.300 nan 0.000 0.461 465 I N 4.946 125.667 120.570 0.250 0.000 2.382 465 I HA 0.361 4.531 4.170 0.001 0.000 0.285 465 I C -1.003 175.153 176.117 0.066 0.000 1.007 465 I CA -0.842 60.518 61.300 0.101 0.000 1.142 465 I CB 1.522 39.590 38.000 0.114 0.000 1.289 465 I HN 0.142 nan 8.210 nan 0.000 0.453 466 V N 6.921 126.815 119.914 -0.034 0.000 2.357 466 V HA 0.352 4.473 4.120 0.001 0.000 0.284 466 V C -0.434 175.632 176.094 -0.045 0.000 1.018 466 V CA -0.491 61.872 62.300 0.106 0.000 0.841 466 V CB 1.170 33.083 31.823 0.151 0.000 0.991 466 V HN 0.353 nan 8.190 nan 0.000 0.437 467 F N 3.528 123.612 119.950 0.224 0.000 2.390 467 F HA 0.673 5.200 4.527 0.001 0.000 0.361 467 F C 0.619 176.500 175.800 0.134 0.000 1.124 467 F CA 0.009 58.112 58.000 0.171 0.000 1.149 467 F CB 1.509 40.601 39.000 0.153 0.000 1.160 467 F HN 0.524 nan 8.300 nan 0.000 0.501 468 T N 0.538 115.227 114.554 0.226 0.000 2.711 468 T HA 0.259 4.609 4.350 0.001 0.000 0.302 468 T C -0.469 174.300 174.700 0.116 0.000 1.373 468 T CA -0.664 61.532 62.100 0.161 0.000 1.000 468 T CB 1.266 70.264 68.868 0.217 0.000 1.483 468 T HN 0.525 nan 8.240 nan 0.000 0.499 469 D N -0.163 120.297 120.400 0.099 0.000 2.363 469 D HA 0.189 4.829 4.640 0.001 0.000 0.214 469 D C 1.076 177.465 176.300 0.149 0.000 1.093 469 D CA 0.053 54.114 54.000 0.100 0.000 0.837 469 D CB -1.049 39.813 40.800 0.103 0.000 0.948 469 D HN 0.655 nan 8.370 nan 0.000 0.507 470 C N 0.661 120.047 119.300 0.143 0.000 4.265 470 C HA -0.138 4.322 4.460 0.001 0.000 0.287 470 C C 0.551 175.586 174.990 0.075 0.000 1.451 470 C CA 0.281 59.383 59.018 0.140 0.000 1.966 470 C CB -2.148 25.705 27.740 0.188 0.000 1.302 470 C HN 0.416 nan 8.230 nan 0.000 0.794 471 E N 0.795 121.027 120.200 0.052 0.000 2.368 471 E HA 0.101 4.451 4.350 0.001 0.000 0.283 471 E C 0.708 177.269 176.600 -0.066 0.000 1.476 471 E CA 0.225 56.573 56.400 -0.086 0.000 1.786 471 E CB 0.383 30.034 29.700 -0.081 0.000 1.518 471 E HN 0.656 nan 8.360 nan 0.000 0.456 472 T N 2.339 116.868 114.554 -0.042 0.000 2.940 472 T HA 0.053 4.404 4.350 0.001 0.000 0.309 472 T C 0.594 175.247 174.700 -0.078 0.000 1.056 472 T CA -0.029 62.059 62.100 -0.020 0.000 1.137 472 T CB 0.161 69.022 68.868 -0.012 0.000 0.976 472 T HN 0.344 nan 8.240 nan 0.000 0.547 473 N N 2.699 121.371 118.700 -0.047 0.000 2.577 473 N HA 0.174 4.915 4.740 0.001 0.000 0.285 473 N C -0.816 174.672 175.510 -0.037 0.000 1.658 473 N CA -0.470 52.544 53.050 -0.060 0.000 0.865 473 N CB -0.314 38.145 38.487 -0.045 0.000 1.419 473 N HN 0.433 nan 8.380 nan 0.000 0.495 474 V N -2.718 117.170 119.914 -0.044 0.000 2.769 474 V HA 0.607 4.727 4.120 0.001 0.000 0.312 474 V C 0.300 176.358 176.094 -0.059 0.000 1.061 474 V CA -0.818 61.462 62.300 -0.033 0.000 0.931 474 V CB 1.972 33.787 31.823 -0.013 0.000 1.010 474 V HN 0.125 nan 8.190 nan 0.000 0.433 475 E N 2.280 122.453 120.200 -0.044 0.000 2.975 475 E HA 0.135 4.486 4.350 0.001 0.000 0.301 475 E C -0.611 175.957 176.600 -0.054 0.000 1.554 475 E CA 0.057 56.426 56.400 -0.053 0.000 1.716 475 E CB -0.105 29.576 29.700 -0.032 0.000 1.365 475 E HN 0.749 nan 8.360 nan 0.000 0.469 476 D N 0.292 120.647 120.400 -0.074 0.000 2.449 476 D HA 0.191 4.832 4.640 0.001 0.000 0.250 476 D C -0.096 176.147 176.300 -0.095 0.000 1.050 476 D CA -0.907 53.056 54.000 -0.062 0.000 1.024 476 D CB 1.716 42.487 40.800 -0.048 0.000 1.218 476 D HN -0.007 nan 8.370 nan 0.000 0.566 477 V N -0.092 119.789 119.914 -0.056 0.000 3.139 477 V HA 0.200 4.320 4.120 0.001 0.000 0.307 477 V C 0.604 176.663 176.094 -0.058 0.000 1.095 477 V CA -0.152 62.129 62.300 -0.032 0.000 1.160 477 V CB 0.218 32.051 31.823 0.017 0.000 1.003 477 V HN 0.472 nan 8.190 nan 0.000 0.489 478 H N 4.221 123.282 119.070 -0.014 0.000 2.815 478 H HA 0.144 4.700 4.556 0.001 0.000 0.350 478 H C -1.445 173.889 175.328 0.010 0.000 1.080 478 H CA -0.577 55.468 56.048 -0.006 0.000 1.433 478 H CB 1.393 31.152 29.762 -0.006 0.000 1.432 478 H HN 0.580 nan 8.280 nan 0.000 0.592 479 P HA -0.173 nan 4.420 nan 0.000 0.216 479 P C 1.221 178.568 177.300 0.078 0.000 1.150 479 P CA 1.554 64.682 63.100 0.046 0.000 0.837 479 P CB 0.099 31.818 31.700 0.032 0.000 0.786 480 A N -0.088 122.849 122.820 0.195 0.000 1.908 480 A HA -0.166 4.155 4.320 0.001 0.000 0.218 480 A C 2.354 180.014 177.584 0.126 0.000 1.181 480 A CA 2.532 54.684 52.037 0.191 0.000 0.627 480 A CB -1.903 17.322 19.000 0.376 0.000 0.818 480 A HN 0.198 nan 8.150 nan 0.000 0.445 481 T N 0.302 114.941 114.554 0.142 0.000 2.746 481 T HA -0.002 4.348 4.350 0.001 0.000 0.267 481 T C 2.234 176.969 174.700 0.058 0.000 1.039 481 T CA 1.547 63.705 62.100 0.098 0.000 1.142 481 T CB -0.490 68.445 68.868 0.111 0.000 0.866 481 T HN 0.607 nan 8.240 nan 0.000 0.444 482 A N 1.290 124.131 122.820 0.035 0.000 1.940 482 A HA -0.047 4.274 4.320 0.001 0.000 0.219 482 A C 2.237 179.813 177.584 -0.014 0.000 1.176 482 A CA 1.312 53.346 52.037 -0.005 0.000 0.631 482 A CB -0.796 18.170 19.000 -0.057 0.000 0.814 482 A HN 0.404 nan 8.150 nan 0.000 0.446 483 L N -0.649 120.552 121.223 -0.038 0.000 2.056 483 L HA -0.080 4.261 4.340 0.001 0.000 0.207 483 L C 2.142 179.058 176.870 0.077 0.000 1.078 483 L CA 2.289 57.108 54.840 -0.036 0.000 0.749 483 L CB -0.517 41.516 42.059 -0.043 0.000 0.901 483 L HN 0.228 nan 8.230 nan 0.000 0.433 484 K N -0.519 119.920 120.400 0.064 0.000 2.057 484 K HA -0.153 4.168 4.320 0.001 0.000 0.207 484 K C 2.136 178.776 176.600 0.067 0.000 1.049 484 K CA 1.698 58.025 56.287 0.067 0.000 0.931 484 K CB -0.250 32.282 32.500 0.053 0.000 0.714 484 K HN 0.477 nan 8.250 nan 0.000 0.440 485 Q N -1.230 118.607 119.800 0.062 0.000 2.084 485 Q HA -0.202 4.139 4.340 0.001 0.000 0.202 485 Q C 1.876 177.910 176.000 0.056 0.000 0.978 485 Q CA 1.694 57.525 55.803 0.046 0.000 0.844 485 Q CB -0.277 28.485 28.738 0.040 0.000 0.898 485 Q HN 0.390 nan 8.270 nan 0.000 0.426 486 Y N 1.510 121.805 120.300 -0.008 0.000 2.145 486 Y HA -0.231 4.319 4.550 0.001 0.000 0.286 486 Y C 2.178 178.102 175.900 0.040 0.000 1.145 486 Y CA 1.601 59.713 58.100 0.021 0.000 1.148 486 Y CB 0.060 38.541 38.460 0.035 0.000 0.981 486 Y HN -0.074 nan 8.280 nan 0.000 0.507 487 R N 0.227 120.826 120.500 0.166 0.000 2.096 487 R HA -0.205 4.135 4.340 0.001 0.000 0.240 487 R C 2.160 178.438 176.300 -0.037 0.000 1.139 487 R CA 2.163 58.312 56.100 0.083 0.000 0.952 487 R CB -0.423 29.940 30.300 0.105 0.000 0.854 487 R HN 0.514 nan 8.270 nan 0.000 0.436 488 E N 0.608 120.791 120.200 -0.028 0.000 2.047 488 E HA -0.161 4.190 4.350 0.001 0.000 0.191 488 E C 1.946 178.497 176.600 -0.082 0.000 0.987 488 E CA 1.150 57.524 56.400 -0.043 0.000 0.799 488 E CB 0.018 29.706 29.700 -0.021 0.000 0.752 488 E HN 0.301 nan 8.360 nan 0.000 0.449 489 K N -0.117 120.216 120.400 -0.111 0.000 2.217 489 K HA 0.004 4.325 4.320 0.001 0.000 0.202 489 K C 1.772 178.256 176.600 -0.193 0.000 1.051 489 K CA 0.853 57.061 56.287 -0.132 0.000 0.952 489 K CB 0.157 32.585 32.500 -0.120 0.000 0.736 489 K HN 0.095 nan 8.250 nan 0.000 0.453 490 M N -0.868 118.545 119.600 -0.311 0.000 2.414 490 M HA 0.160 4.641 4.480 0.001 0.000 0.251 490 M C 0.708 176.884 176.300 -0.206 0.000 1.116 490 M CA 0.484 55.579 55.300 -0.343 0.000 1.056 490 M CB 0.262 32.436 32.600 -0.709 0.000 1.388 490 M HN 0.311 nan 8.290 nan 0.000 0.487 491 G N 2.818 111.526 108.800 -0.152 0.000 2.314 491 G HA2 -0.229 3.731 3.960 0.001 0.000 0.292 491 G HA3 -0.229 3.731 3.960 0.001 0.000 0.292 491 G C -0.148 174.716 174.900 -0.061 0.000 1.059 491 G CA 0.060 45.109 45.100 -0.084 0.000 0.982 491 G HN 0.485 nan 8.290 nan 0.000 0.505 492 I N -0.692 119.850 120.570 -0.047 0.000 2.534 492 I HA 0.271 4.441 4.170 0.001 0.000 0.288 492 I C -2.300 173.864 176.117 0.078 0.000 1.077 492 I CA -2.619 58.695 61.300 0.023 0.000 1.051 492 I CB 2.685 40.737 38.000 0.086 0.000 1.234 492 I HN -0.173 nan 8.210 nan 0.000 0.425 493 P HA 0.109 nan 4.420 nan 0.000 0.238 493 P C 0.015 177.347 177.300 0.054 0.000 1.714 493 P CA -0.092 63.029 63.100 0.035 0.000 0.908 493 P CB -0.167 31.526 31.700 -0.012 0.000 1.893 494 A N 1.493 124.407 122.820 0.157 0.000 2.531 494 A HA 0.126 4.447 4.320 0.001 0.000 0.236 494 A C 0.483 178.155 177.584 0.147 0.000 1.062 494 A CA 0.452 52.596 52.037 0.179 0.000 0.760 494 A CB 0.078 19.324 19.000 0.410 0.000 0.995 494 A HN 0.216 nan 8.150 nan 0.000 0.501 495 K N 0.373 120.840 120.400 0.112 0.000 2.259 495 K HA 0.618 4.939 4.320 0.001 0.000 0.249 495 K C -1.329 175.438 176.600 0.280 0.000 0.942 495 K CA -0.706 55.682 56.287 0.168 0.000 0.816 495 K CB 2.073 34.602 32.500 0.049 0.000 1.155 495 K HN 0.493 nan 8.250 nan 0.000 0.428 496 L N 3.358 124.750 121.223 0.282 0.000 2.325 496 L HA 0.507 4.848 4.340 0.001 0.000 0.281 496 L C -1.390 175.563 176.870 0.139 0.000 1.004 496 L CA -0.295 54.670 54.840 0.209 0.000 0.823 496 L CB 1.008 43.123 42.059 0.093 0.000 1.236 496 L HN 0.562 nan 8.230 nan 0.000 0.415 497 I N 6.029 126.660 120.570 0.102 0.000 2.355 497 I HA 0.329 4.499 4.170 0.001 0.000 0.288 497 I C -0.650 175.429 176.117 -0.064 0.000 0.999 497 I CA -0.887 60.393 61.300 -0.033 0.000 1.163 497 I CB 1.790 39.794 38.000 0.008 0.000 1.316 497 I HN 0.266 nan 8.210 nan 0.000 0.454 498 V N 6.097 125.964 119.914 -0.078 0.000 2.353 498 V HA 0.083 4.204 4.120 0.001 0.000 0.264 498 V C 0.126 176.177 176.094 -0.072 0.000 1.049 498 V CA -0.429 61.840 62.300 -0.052 0.000 0.896 498 V CB 1.198 33.024 31.823 0.006 0.000 1.025 498 V HN 0.833 nan 8.190 nan 0.000 0.475 499 C N 7.294 126.496 119.300 -0.162 0.000 2.192 499 C HA 0.699 5.160 4.460 0.001 0.000 0.337 499 C C 1.149 176.185 174.990 0.076 0.000 1.103 499 C CA -0.873 58.079 59.018 -0.109 0.000 1.581 499 C CB -1.199 26.268 27.740 -0.455 0.000 2.070 499 C HN 0.973 nan 8.230 nan 0.000 0.485 500 A N 7.151 130.059 122.820 0.147 0.000 2.462 500 A HA 0.453 4.774 4.320 0.001 0.000 0.243 500 A C 0.782 178.483 177.584 0.195 0.000 1.076 500 A CA 0.194 52.330 52.037 0.166 0.000 0.773 500 A CB 0.269 19.373 19.000 0.174 0.000 1.010 500 A HN 0.861 nan 8.150 nan 0.000 0.493 501 M N 1.556 121.126 119.600 -0.049 0.000 2.347 501 M HA 0.145 4.626 4.480 0.001 0.000 0.302 501 M C 0.545 176.190 176.300 -1.092 0.000 1.051 501 M CA 0.598 55.652 55.300 -0.409 0.000 0.988 501 M CB -0.973 31.571 32.600 -0.094 0.000 1.475 501 M HN 0.956 nan 8.290 nan 0.000 0.530 502 T N -2.958 111.164 114.554 -0.719 0.000 2.754 502 T HA 0.437 4.788 4.350 0.001 0.000 0.296 502 T C 0.267 174.904 174.700 -0.106 0.000 1.205 502 T CA -0.391 61.406 62.100 -0.505 0.000 1.009 502 T CB 1.627 70.389 68.868 -0.176 0.000 1.368 502 T HN 0.087 nan 8.240 nan 0.000 0.509 503 S N 0.477 116.200 115.700 0.037 0.000 2.537 503 S HA 0.262 4.733 4.470 0.001 0.000 0.246 503 S C 0.352 174.968 174.600 0.026 0.000 1.036 503 S CA -0.732 57.548 58.200 0.134 0.000 1.041 503 S CB -1.382 61.975 63.200 0.261 0.000 0.799 503 S HN 0.912 nan 8.310 nan 0.000 0.456 504 N N 1.182 119.860 118.700 -0.036 0.000 2.347 504 N HA 0.423 5.164 4.740 0.001 0.000 0.253 504 N C 0.746 176.081 175.510 -0.291 0.000 1.274 504 N CA -0.171 52.771 53.050 -0.180 0.000 0.941 504 N CB -0.121 38.288 38.487 -0.130 0.000 1.200 504 N HN 0.113 nan 8.380 nan 0.000 0.514 505 G N -1.245 107.172 108.800 -0.638 0.000 3.609 505 G HA2 0.278 4.239 3.960 0.001 0.000 0.280 505 G HA3 0.278 4.239 3.960 0.001 0.000 0.280 505 G C -0.913 173.743 174.900 -0.406 0.000 1.155 505 G CA -0.332 44.486 45.100 -0.471 0.000 0.876 505 G HN 0.368 nan 8.290 nan 0.000 0.535 506 F N 0.279 120.253 119.950 0.039 0.000 2.458 506 F HA 0.775 5.303 4.527 0.001 0.000 0.330 506 F C 0.406 176.255 175.800 0.081 0.000 1.082 506 F CA -1.815 56.214 58.000 0.049 0.000 0.995 506 F CB 2.284 41.289 39.000 0.010 0.000 1.170 506 F HN -0.045 nan 8.300 nan 0.000 0.478 507 S N 2.142 118.046 115.700 0.339 0.000 2.546 507 S HA 0.507 4.977 4.470 0.001 0.000 0.272 507 S C 0.155 174.958 174.600 0.339 0.000 1.140 507 S CA -0.741 57.619 58.200 0.266 0.000 0.920 507 S CB 0.903 64.224 63.200 0.202 0.000 1.083 507 S HN 0.644 nan 8.310 nan 0.000 0.476 508 I N 1.722 122.457 120.570 0.276 0.000 3.793 508 I HA 0.549 4.719 4.170 0.001 0.000 0.315 508 I C 0.669 177.002 176.117 0.359 0.000 1.275 508 I CA -0.419 61.085 61.300 0.340 0.000 1.214 508 I CB -0.260 37.865 38.000 0.207 0.000 1.018 508 I HN 0.481 nan 8.210 nan 0.000 0.439 509 A N 1.755 124.694 122.820 0.200 0.000 2.331 509 A HA 0.255 4.575 4.320 0.001 0.000 0.283 509 A C -0.509 176.840 177.584 -0.392 0.000 1.142 509 A CA -0.336 51.686 52.037 -0.025 0.000 0.812 509 A CB 0.370 19.332 19.000 -0.064 0.000 1.074 509 A HN 0.339 nan 8.150 nan 0.000 0.497 510 D N 3.117 123.116 120.400 -0.669 0.000 2.336 510 D HA 0.284 4.925 4.640 0.001 0.000 0.249 510 D C -1.639 174.191 176.300 -0.783 0.000 1.213 510 D CA -1.855 51.331 54.000 -1.357 0.000 0.870 510 D CB 1.194 41.497 40.800 -0.829 0.000 1.076 510 D HN 0.134 nan 8.370 nan 0.000 0.483 511 P HA -0.117 nan 4.420 nan 0.000 0.216 511 P C 0.349 177.491 177.300 -0.264 0.000 1.150 511 P CA 0.975 63.831 63.100 -0.406 0.000 0.843 511 P CB 0.294 31.790 31.700 -0.339 0.000 0.787 512 D N -1.437 118.796 120.400 -0.278 0.000 2.336 512 D HA -0.028 4.613 4.640 0.001 0.000 0.229 512 D C 0.231 176.465 176.300 -0.110 0.000 1.061 512 D CA 0.747 54.661 54.000 -0.143 0.000 0.875 512 D CB -0.229 40.515 40.800 -0.092 0.000 0.904 512 D HN 0.254 nan 8.370 nan 0.000 0.525 513 D N 0.866 121.182 120.400 -0.140 0.000 2.460 513 D HA 0.059 4.700 4.640 0.001 0.000 0.232 513 D C 1.021 177.313 176.300 -0.013 0.000 1.079 513 D CA -0.506 53.453 54.000 -0.069 0.000 0.864 513 D CB 0.952 41.706 40.800 -0.076 0.000 1.048 513 D HN -0.159 nan 8.370 nan 0.000 0.523 514 R N 2.253 122.766 120.500 0.021 0.000 2.355 514 R HA -0.007 4.334 4.340 0.001 0.000 0.219 514 R C 1.440 177.847 176.300 0.179 0.000 1.107 514 R CA 0.842 56.992 56.100 0.083 0.000 1.021 514 R CB -0.711 29.619 30.300 0.050 0.000 0.852 514 R HN 0.297 nan 8.270 nan 0.000 0.475 515 G N -0.840 108.045 108.800 0.143 0.000 3.189 515 G HA2 0.264 4.225 3.960 0.001 0.000 0.225 515 G HA3 0.264 4.225 3.960 0.001 0.000 0.225 515 G C -0.059 175.062 174.900 0.368 0.000 1.159 515 G CA -0.450 44.769 45.100 0.198 0.000 0.763 515 G HN 0.226 nan 8.290 nan 0.000 0.549 516 M N 0.808 120.558 119.600 0.250 0.000 2.321 516 M HA 0.538 5.019 4.480 0.001 0.000 0.315 516 M C -1.591 174.639 176.300 -0.117 0.000 1.052 516 M CA -0.818 54.538 55.300 0.093 0.000 0.936 516 M CB 2.903 35.492 32.600 -0.018 0.000 1.639 516 M HN -0.001 nan 8.290 nan 0.000 0.433 517 L N 2.751 123.761 121.223 -0.356 0.000 2.381 517 L HA 0.630 4.971 4.340 0.001 0.000 0.268 517 L C -1.461 175.231 176.870 -0.297 0.000 0.997 517 L CA -0.130 54.378 54.840 -0.553 0.000 0.818 517 L CB 1.851 43.102 42.059 -1.346 0.000 1.310 517 L HN 0.481 nan 8.230 nan 0.000 0.416 518 D N 5.234 125.514 120.400 -0.200 0.000 2.233 518 D HA 0.626 5.267 4.640 0.001 0.000 0.240 518 D C -0.371 175.889 176.300 -0.067 0.000 1.074 518 D CA 0.280 54.225 54.000 -0.092 0.000 0.838 518 D CB 1.449 42.223 40.800 -0.043 0.000 1.124 518 D HN 0.664 nan 8.370 nan 0.000 0.475 519 I N -1.316 119.241 120.570 -0.021 0.000 3.279 519 I HA 0.681 4.851 4.170 0.001 0.000 0.315 519 I C -1.099 175.082 176.117 0.107 0.000 1.225 519 I CA -1.020 60.299 61.300 0.033 0.000 0.947 519 I CB 2.138 40.144 38.000 0.010 0.000 1.293 519 I HN 0.415 nan 8.210 nan 0.000 0.468 520 C N 0.674 120.078 119.300 0.173 0.000 2.707 520 C HA 0.917 5.378 4.460 0.001 0.000 0.313 520 C C 0.799 175.996 174.990 0.345 0.000 1.209 520 C CA -0.203 58.995 59.018 0.300 0.000 1.635 520 C CB 0.587 28.547 27.740 0.366 0.000 2.206 520 C HN 1.190 nan 8.230 nan 0.000 0.485 521 G N 0.265 109.413 108.800 0.580 0.000 2.554 521 G HA2 0.396 4.357 3.960 0.001 0.000 0.238 521 G HA3 0.396 4.357 3.960 0.001 0.000 0.238 521 G C -0.211 174.986 174.900 0.496 0.000 1.259 521 G CA -0.154 45.351 45.100 0.674 0.000 0.843 521 G HN 1.270 nan 8.290 nan 0.000 0.582 522 F N -0.721 119.402 119.950 0.288 0.000 3.004 522 F HA -0.181 4.347 4.527 0.001 0.000 0.264 522 F C 0.631 176.491 175.800 0.100 0.000 0.979 522 F CA 1.138 59.269 58.000 0.218 0.000 0.896 522 F CB -0.606 38.521 39.000 0.211 0.000 0.813 522 F HN 0.527 nan 8.300 nan 0.000 0.804 523 D N 0.320 120.806 120.400 0.144 0.000 2.427 523 D HA 0.277 4.917 4.640 0.001 0.000 0.226 523 D C 0.972 177.277 176.300 0.008 0.000 1.076 523 D CA 0.168 54.206 54.000 0.064 0.000 0.849 523 D CB 1.235 42.088 40.800 0.089 0.000 1.052 523 D HN 0.106 nan 8.370 nan 0.000 0.515 524 S N 1.848 117.491 115.700 -0.095 0.000 2.493 524 S HA -0.064 4.407 4.470 0.001 0.000 0.243 524 S C 1.541 176.106 174.600 -0.060 0.000 0.991 524 S CA 0.678 58.734 58.200 -0.240 0.000 0.957 524 S CB -0.104 62.812 63.200 -0.474 0.000 0.756 524 S HN 0.467 nan 8.310 nan 0.000 0.521 525 G N -0.487 108.254 108.800 -0.099 0.000 3.575 525 G HA2 0.584 4.544 3.960 0.001 0.000 0.273 525 G HA3 0.584 4.544 3.960 0.001 0.000 0.273 525 G C 1.012 175.899 174.900 -0.022 0.000 1.053 525 G CA 0.165 45.218 45.100 -0.077 0.000 0.803 525 G HN 0.574 nan 8.290 nan 0.000 0.528 526 A N 0.441 123.273 122.820 0.020 0.000 2.015 526 A HA 0.120 4.440 4.320 0.001 0.000 0.219 526 A C 2.103 179.706 177.584 0.032 0.000 1.163 526 A CA 0.753 52.815 52.037 0.042 0.000 0.646 526 A CB -0.163 18.881 19.000 0.074 0.000 0.806 526 A HN 0.331 nan 8.150 nan 0.000 0.448 527 L N 0.116 121.343 121.223 0.007 0.000 2.265 527 L HA -0.140 4.200 4.340 0.001 0.000 0.215 527 L C 1.919 178.801 176.870 0.019 0.000 1.117 527 L CA 2.077 56.910 54.840 -0.011 0.000 0.782 527 L CB -0.530 41.493 42.059 -0.059 0.000 0.914 527 L HN 0.486 nan 8.230 nan 0.000 0.441 528 D N -1.200 119.214 120.400 0.023 0.000 2.137 528 D HA -0.122 4.518 4.640 0.001 0.000 0.202 528 D C 2.240 178.574 176.300 0.057 0.000 0.970 528 D CA 1.477 55.496 54.000 0.032 0.000 0.837 528 D CB 0.100 40.910 40.800 0.016 0.000 0.981 528 D HN 0.190 nan 8.370 nan 0.000 0.475 529 V N -0.465 119.485 119.914 0.060 0.000 2.515 529 V HA -0.111 4.010 4.120 0.001 0.000 0.250 529 V C 2.430 178.599 176.094 0.125 0.000 1.058 529 V CA 1.166 63.514 62.300 0.079 0.000 1.064 529 V CB -0.775 31.081 31.823 0.057 0.000 0.675 529 V HN 0.192 nan 8.190 nan 0.000 0.461 530 I N 0.302 120.946 120.570 0.122 0.000 2.252 530 I HA -0.151 4.020 4.170 0.001 0.000 0.245 530 I C 2.932 179.188 176.117 0.232 0.000 1.102 530 I CA 2.108 63.524 61.300 0.193 0.000 1.385 530 I CB -0.467 37.632 38.000 0.165 0.000 1.064 530 I HN 0.290 nan 8.210 nan 0.000 0.414 531 R N 1.276 121.870 120.500 0.156 0.000 2.073 531 R HA -0.165 4.175 4.340 0.001 0.000 0.234 531 R C 2.147 178.522 176.300 0.125 0.000 1.134 531 R CA 1.789 57.971 56.100 0.137 0.000 0.952 531 R CB -0.094 30.255 30.300 0.082 0.000 0.850 531 R HN 0.301 nan 8.270 nan 0.000 0.433 532 N N 0.279 119.052 118.700 0.123 0.000 2.084 532 N HA -0.201 4.540 4.740 0.001 0.000 0.190 532 N C 1.463 177.057 175.510 0.139 0.000 1.030 532 N CA 1.526 54.642 53.050 0.110 0.000 0.849 532 N CB -0.570 37.980 38.487 0.104 0.000 1.012 532 N HN 0.223 nan 8.380 nan 0.000 0.423 533 F N 1.665 121.637 119.950 0.037 0.000 2.095 533 F HA -0.215 4.313 4.527 0.001 0.000 0.298 533 F C 2.174 177.988 175.800 0.024 0.000 1.104 533 F CA 1.378 59.395 58.000 0.029 0.000 1.232 533 F CB -0.451 38.569 39.000 0.033 0.000 0.987 533 F HN -0.040 nan 8.300 nan 0.000 0.475 534 T N 1.330 115.896 114.554 0.020 0.000 2.720 534 T HA -0.159 4.192 4.350 0.001 0.000 0.268 534 T C 1.689 176.313 174.700 -0.126 0.000 1.037 534 T CA 1.588 63.631 62.100 -0.095 0.000 1.144 534 T CB -0.407 68.520 68.868 0.098 0.000 0.864 534 T HN 0.229 nan 8.240 nan 0.000 0.444 535 L N 1.044 122.239 121.223 -0.046 0.000 2.653 535 L HA 0.141 4.482 4.340 0.001 0.000 0.232 535 L C 0.252 177.085 176.870 -0.061 0.000 1.169 535 L CA 0.022 54.837 54.840 -0.042 0.000 0.951 535 L CB -0.270 41.791 42.059 0.003 0.000 1.181 535 L HN 0.189 nan 8.230 nan 0.000 0.460 536 D N -0.253 120.079 120.400 -0.114 0.000 3.039 536 D HA -0.205 4.436 4.640 0.001 0.000 0.222 536 D C 0.505 176.786 176.300 -0.030 0.000 1.179 536 D CA 0.899 54.840 54.000 -0.097 0.000 0.880 536 D CB -1.098 39.647 40.800 -0.092 0.000 1.115 536 D HN 0.322 nan 8.370 nan 0.000 0.416 537 L N 0.000 121.221 121.223 -0.003 0.000 2.949 537 L HA 0.000 4.341 4.340 0.001 0.000 0.249 537 L CA 0.000 54.851 54.840 0.018 0.000 0.813 537 L CB 0.000 42.075 42.059 0.026 0.000 0.961 537 L HN 0.000 nan 8.230 nan 0.000 0.502