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 2i91_1_B DATA FIRST_RESID 5 DATA SEQUENCE MDQTQPLNEK QVPNSEGCYV WQVSDMNRLR RFLCFGSEGG TYYIEEKKLG DATA SEQUENCE QENAEALLRL IEDGKGCEVV QEIKTFSQEG RAAKQEPTLF ALAVCSQCSD DATA SEQUENCE IKTKQAAFRA VPEVCRIPTH LFTFIQFKKD LKXXXXXXXW 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 HGNRGKLRWI 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 0.000 176.320 176.300 0.033 0.000 1.140 5 M CA 0.000 55.317 55.300 0.028 0.000 0.988 5 M CB 0.000 32.627 32.600 0.046 0.000 1.302 6 D N 2.514 122.907 120.400 -0.012 0.000 2.758 6 D HA 0.395 5.004 4.640 -0.053 0.000 0.279 6 D C -0.001 176.104 176.300 -0.325 0.000 1.111 6 D CA -0.280 53.649 54.000 -0.119 0.000 1.109 6 D CB 0.379 41.126 40.800 -0.089 0.000 1.428 6 D HN 0.749 nan 8.370 nan 0.000 0.586 7 Q N -0.761 118.743 119.800 -0.493 0.000 2.364 7 Q HA -0.077 4.231 4.340 -0.053 0.000 0.209 7 Q C 1.627 177.541 176.000 -0.143 0.000 0.977 7 Q CA 1.784 57.233 55.803 -0.591 0.000 0.885 7 Q CB -0.513 28.011 28.738 -0.357 0.000 0.941 7 Q HN 0.743 nan 8.270 nan 0.000 0.464 8 T N -2.285 112.229 114.554 -0.067 0.000 3.007 8 T HA -0.088 4.230 4.350 -0.053 0.000 0.270 8 T C 0.653 175.411 174.700 0.096 0.000 1.107 8 T CA 0.507 62.630 62.100 0.039 0.000 1.118 8 T CB 0.118 68.991 68.868 0.007 0.000 0.889 8 T HN 0.175 nan 8.240 nan 0.000 0.506 9 Q N 1.643 121.451 119.800 0.013 0.000 2.348 9 Q HA 0.466 4.774 4.340 -0.053 0.000 0.271 9 Q C -2.930 172.911 176.000 -0.265 0.000 1.067 9 Q CA -3.004 52.698 55.803 -0.168 0.000 0.839 9 Q CB 2.208 30.886 28.738 -0.101 0.000 1.354 9 Q HN 0.159 nan 8.270 nan 0.000 0.447 10 P HA 0.064 nan 4.420 nan 0.000 0.280 10 P C -0.004 177.070 177.300 -0.378 0.000 1.244 10 P CA -0.008 62.685 63.100 -0.679 0.000 0.784 10 P CB 1.178 32.359 31.700 -0.864 0.000 0.913 11 L N 2.114 123.057 121.223 -0.467 0.000 2.179 11 L HA -0.070 4.238 4.340 -0.053 0.000 0.208 11 L C 0.876 177.647 176.870 -0.165 0.000 1.096 11 L CA 1.481 56.102 54.840 -0.365 0.000 0.779 11 L CB -0.322 41.447 42.059 -0.483 0.000 0.922 11 L HN 0.618 nan 8.230 nan 0.000 0.443 12 N N -3.658 114.957 118.700 -0.142 0.000 3.046 12 N HA 0.048 4.756 4.740 -0.053 0.000 0.243 12 N C 0.016 175.517 175.510 -0.015 0.000 1.452 12 N CA -0.681 52.351 53.050 -0.029 0.000 0.882 12 N CB 0.611 39.146 38.487 0.080 0.000 1.425 12 N HN -0.206 nan 8.380 nan 0.000 0.517 13 E N 0.703 120.914 120.200 0.019 0.000 2.086 13 E HA -0.290 4.028 4.350 -0.053 0.000 0.205 13 E C 0.792 177.439 176.600 0.079 0.000 1.027 13 E CA 2.307 58.729 56.400 0.036 0.000 0.830 13 E CB -0.231 29.495 29.700 0.043 0.000 0.751 13 E HN 0.641 nan 8.360 nan 0.000 0.456 14 K N 1.015 121.497 120.400 0.137 0.000 2.077 14 K HA -0.192 4.096 4.320 -0.053 0.000 0.213 14 K C 0.931 177.649 176.600 0.197 0.000 1.051 14 K CA 1.197 57.613 56.287 0.215 0.000 0.929 14 K CB -0.407 32.301 32.500 0.348 0.000 0.715 14 K HN 0.291 nan 8.250 nan 0.000 0.451 15 Q N 0.971 120.797 119.800 0.043 0.000 2.469 15 Q HA 0.088 4.396 4.340 -0.053 0.000 0.279 15 Q C -0.045 176.010 176.000 0.093 0.000 1.097 15 Q CA 0.228 55.944 55.803 -0.145 0.000 0.951 15 Q CB 0.775 29.299 28.738 -0.357 0.000 1.297 15 Q HN 0.151 nan 8.270 nan 0.000 0.465 16 V N -2.065 117.878 119.914 0.048 0.000 3.130 16 V HA 0.673 4.761 4.120 -0.053 0.000 0.310 16 V C -2.709 173.154 176.094 -0.385 0.000 1.158 16 V CA -2.607 59.681 62.300 -0.020 0.000 1.029 16 V CB 1.948 33.802 31.823 0.051 0.000 1.057 16 V HN 0.665 nan 8.190 nan 0.000 0.436 17 P HA 0.291 nan 4.420 nan 0.000 0.279 17 P C -0.632 176.264 177.300 -0.674 0.000 1.239 17 P CA -0.056 62.491 63.100 -0.922 0.000 0.789 17 P CB 0.822 32.058 31.700 -0.775 0.000 0.933 18 N N 1.050 119.288 118.700 -0.769 0.000 2.285 18 N HA 0.053 4.761 4.740 -0.053 0.000 0.278 18 N C 1.346 176.474 175.510 -0.638 0.000 1.289 18 N CA -0.168 52.240 53.050 -1.069 0.000 0.934 18 N CB -0.671 37.318 38.487 -0.830 0.000 1.048 18 N HN 0.362 nan 8.380 nan 0.000 0.499 19 S N -0.042 115.304 115.700 -0.590 0.000 2.593 19 S HA 0.075 4.514 4.470 -0.053 0.000 0.217 19 S C 0.617 174.969 174.600 -0.413 0.000 0.966 19 S CA 0.267 58.251 58.200 -0.361 0.000 0.914 19 S CB 0.141 63.102 63.200 -0.399 0.000 0.776 19 S HN 0.349 nan 8.310 nan 0.000 0.523 20 E N -0.232 119.700 120.200 -0.447 0.000 2.562 20 E HA 0.257 4.575 4.350 -0.053 0.000 0.214 20 E C 1.301 177.782 176.600 -0.199 0.000 0.979 20 E CA 0.416 56.651 56.400 -0.276 0.000 1.002 20 E CB 0.913 30.457 29.700 -0.261 0.000 1.048 20 E HN 0.446 nan 8.360 nan 0.000 0.488 21 G N 0.968 109.610 108.800 -0.262 0.000 2.234 21 G HA2 -0.281 3.648 3.960 -0.053 0.000 0.235 21 G HA3 -0.281 3.648 3.960 -0.053 0.000 0.235 21 G C 0.658 175.408 174.900 -0.250 0.000 0.997 21 G CA 0.214 45.180 45.100 -0.224 0.000 0.623 21 G HN 0.305 nan 8.290 nan 0.000 0.514 22 C N 0.927 120.086 119.300 -0.234 0.000 2.534 22 C HA 0.648 5.076 4.460 -0.053 0.000 0.385 22 C C 0.551 175.395 174.990 -0.243 0.000 1.264 22 C CA -0.708 58.231 59.018 -0.131 0.000 2.342 22 C CB -0.220 27.450 27.740 -0.117 0.000 2.564 22 C HN 0.318 nan 8.230 nan 0.000 0.603 23 Y N 1.140 121.365 120.300 -0.126 0.000 2.308 23 Y HA 0.533 5.051 4.550 -0.054 0.000 0.329 23 Y C 0.685 176.481 175.900 -0.174 0.000 1.111 23 Y CA -0.037 57.980 58.100 -0.139 0.000 1.179 23 Y CB 0.715 39.116 38.460 -0.097 0.000 1.201 23 Y HN 0.578 nan 8.280 nan 0.000 0.483 24 V N -1.300 118.510 119.914 -0.173 0.000 3.103 24 V HA 0.569 4.658 4.120 -0.053 0.000 0.311 24 V C -1.199 174.775 176.094 -0.201 0.000 1.322 24 V CA -1.520 60.669 62.300 -0.185 0.000 1.063 24 V CB 2.052 33.842 31.823 -0.055 0.000 1.090 24 V HN 0.698 nan 8.190 nan 0.000 0.462 25 W N 0.227 121.600 121.300 0.122 0.000 2.497 25 W HA 0.593 5.221 4.660 -0.055 0.000 0.359 25 W C -0.031 176.582 176.519 0.157 0.000 1.131 25 W CA -0.228 57.188 57.345 0.118 0.000 1.280 25 W CB 1.720 31.230 29.460 0.083 0.000 1.319 25 W HN 0.797 nan 8.180 nan 0.000 0.626 26 Q N 1.467 121.498 119.800 0.385 0.000 2.331 26 Q HA 0.290 4.598 4.340 -0.053 0.000 0.257 26 Q C -0.334 175.776 176.000 0.184 0.000 0.957 26 Q CA -0.315 55.639 55.803 0.252 0.000 0.923 26 Q CB 1.265 30.108 28.738 0.176 0.000 1.212 26 Q HN 0.230 nan 8.270 nan 0.000 0.443 27 V N 3.787 123.790 119.914 0.148 0.000 2.872 27 V HA -0.119 3.969 4.120 -0.053 0.000 0.302 27 V C 0.454 176.581 176.094 0.054 0.000 1.166 27 V CA 0.872 63.228 62.300 0.094 0.000 1.298 27 V CB 0.844 32.710 31.823 0.072 0.000 0.894 27 V HN 1.004 nan 8.190 nan 0.000 0.509 28 S N 3.645 119.366 115.700 0.036 0.000 2.568 28 S HA 0.026 4.464 4.470 -0.053 0.000 0.282 28 S C 0.878 175.483 174.600 0.009 0.000 1.338 28 S CA -0.210 58.002 58.200 0.019 0.000 1.045 28 S CB 0.725 63.929 63.200 0.008 0.000 0.873 28 S HN 0.731 nan 8.310 nan 0.000 0.516 29 D N 1.746 122.145 120.400 -0.002 0.000 2.123 29 D HA -0.120 4.489 4.640 -0.053 0.000 0.196 29 D C 1.854 178.144 176.300 -0.018 0.000 0.992 29 D CA 1.283 55.272 54.000 -0.019 0.000 0.833 29 D CB -0.218 40.565 40.800 -0.028 0.000 0.954 29 D HN 0.461 nan 8.370 nan 0.000 0.455 30 M N 0.769 120.363 119.600 -0.010 0.000 2.108 30 M HA -0.114 4.334 4.480 -0.053 0.000 0.261 30 M C 1.702 178.002 176.300 0.001 0.000 1.066 30 M CA 1.124 56.420 55.300 -0.007 0.000 1.107 30 M CB -0.980 31.623 32.600 0.004 0.000 1.356 30 M HN 0.100 nan 8.290 nan 0.000 0.406 31 N N -0.838 117.871 118.700 0.014 0.000 2.244 31 N HA -0.144 4.564 4.740 -0.053 0.000 0.183 31 N C 1.794 177.326 175.510 0.037 0.000 1.016 31 N CA 0.689 53.758 53.050 0.031 0.000 0.866 31 N CB -0.047 38.461 38.487 0.035 0.000 0.980 31 N HN 0.368 nan 8.380 nan 0.000 0.430 32 R N 0.989 121.503 120.500 0.024 0.000 2.189 32 R HA -0.033 4.275 4.340 -0.053 0.000 0.218 32 R C 2.190 178.517 176.300 0.046 0.000 1.074 32 R CA 0.375 56.494 56.100 0.032 0.000 0.991 32 R CB -0.053 30.242 30.300 -0.009 0.000 0.883 32 R HN 0.107 nan 8.270 nan 0.000 0.457 33 L N 1.097 122.324 121.223 0.007 0.000 2.027 33 L HA -0.142 4.166 4.340 -0.053 0.000 0.206 33 L C 2.027 178.873 176.870 -0.040 0.000 1.074 33 L CA 1.707 56.550 54.840 0.005 0.000 0.745 33 L CB -0.251 41.779 42.059 -0.048 0.000 0.898 33 L HN 0.047 nan 8.230 nan 0.000 0.433 34 R N -0.534 119.902 120.500 -0.107 0.000 2.081 34 R HA -0.116 4.193 4.340 -0.053 0.000 0.235 34 R C 2.327 178.572 176.300 -0.092 0.000 1.131 34 R CA 1.546 57.502 56.100 -0.240 0.000 0.960 34 R CB -0.533 29.731 30.300 -0.061 0.000 0.856 34 R HN 0.424 nan 8.270 nan 0.000 0.436 35 R N 0.202 120.745 120.500 0.072 0.000 2.096 35 R HA -0.171 4.137 4.340 -0.053 0.000 0.240 35 R C 2.218 178.636 176.300 0.196 0.000 1.139 35 R CA 1.855 58.082 56.100 0.212 0.000 0.952 35 R CB -0.577 29.878 30.300 0.258 0.000 0.854 35 R HN 0.209 nan 8.270 nan 0.000 0.436 36 F N 1.580 121.532 119.950 0.004 0.000 2.095 36 F HA -0.208 4.286 4.527 -0.054 0.000 0.298 36 F C 2.020 177.768 175.800 -0.087 0.000 1.104 36 F CA 1.380 59.368 58.000 -0.020 0.000 1.232 36 F CB -0.090 38.882 39.000 -0.046 0.000 0.987 36 F HN -0.068 nan 8.300 nan 0.000 0.475 37 L N -0.657 120.387 121.223 -0.299 0.000 2.079 37 L HA -0.302 4.006 4.340 -0.053 0.000 0.210 37 L C 2.443 179.068 176.870 -0.409 0.000 1.081 37 L CA 1.254 55.823 54.840 -0.453 0.000 0.752 37 L CB -0.865 40.857 42.059 -0.561 0.000 0.896 37 L HN 0.365 nan 8.230 nan 0.000 0.433 38 C N -1.507 117.574 119.300 -0.364 0.000 2.492 38 C HA -0.004 4.424 4.460 -0.053 0.000 0.279 38 C C 2.328 176.951 174.990 -0.612 0.000 1.335 38 C CA 0.116 58.842 59.018 -0.486 0.000 1.734 38 C CB -0.635 26.754 27.740 -0.584 0.000 2.027 38 C HN 0.427 nan 8.230 nan 0.000 0.496 39 F N 0.401 120.247 119.950 -0.174 0.000 2.717 39 F HA 0.357 4.854 4.527 -0.050 0.000 0.297 39 F C 1.880 177.554 175.800 -0.209 0.000 1.113 39 F CA 0.666 58.565 58.000 -0.168 0.000 1.319 39 F CB -0.474 38.497 39.000 -0.048 0.000 1.097 39 F HN 0.381 nan 8.300 nan 0.000 0.595 40 G N 1.183 109.872 108.800 -0.185 0.000 2.575 40 G HA2 -0.299 3.630 3.960 -0.053 0.000 0.267 40 G HA3 -0.299 3.630 3.960 -0.053 0.000 0.267 40 G C 0.508 175.444 174.900 0.059 0.000 1.264 40 G CA 0.251 45.171 45.100 -0.299 0.000 0.935 40 G HN 0.470 nan 8.290 nan 0.000 0.568 41 S N -0.687 115.058 115.700 0.075 0.000 3.053 41 S HA 0.372 4.810 4.470 -0.053 0.000 0.255 41 S C 0.030 174.657 174.600 0.044 0.000 0.976 41 S CA 0.388 58.649 58.200 0.101 0.000 1.159 41 S CB 0.697 63.983 63.200 0.145 0.000 1.110 41 S HN 0.770 nan 8.310 nan 0.000 0.633 42 E N 1.535 121.750 120.200 0.024 0.000 2.384 42 E HA 0.418 4.737 4.350 -0.053 0.000 0.266 42 E C 1.173 177.789 176.600 0.027 0.000 1.012 42 E CA 0.459 56.871 56.400 0.022 0.000 0.901 42 E CB 0.243 29.956 29.700 0.021 0.000 0.967 42 E HN 0.441 nan 8.360 nan 0.000 0.435 43 G N 2.672 111.486 108.800 0.023 0.000 2.228 43 G HA2 -0.359 3.569 3.960 -0.053 0.000 0.270 43 G HA3 -0.359 3.569 3.960 -0.053 0.000 0.270 43 G C 0.822 175.735 174.900 0.022 0.000 0.976 43 G CA 0.387 45.501 45.100 0.022 0.000 0.636 43 G HN 1.238 nan 8.290 nan 0.000 0.542 44 G N -1.197 107.620 108.800 0.027 0.000 2.598 44 G HA2 0.215 4.144 3.960 -0.053 0.000 0.269 44 G HA3 0.215 4.144 3.960 -0.053 0.000 0.269 44 G C 0.630 175.553 174.900 0.038 0.000 1.289 44 G CA 1.937 47.057 45.100 0.033 0.000 0.926 44 G HN 2.452 nan 8.290 nan 0.000 0.567 45 T N -3.988 110.601 114.554 0.059 0.000 2.870 45 T HA 0.565 4.883 4.350 -0.053 0.000 0.277 45 T C 1.071 175.828 174.700 0.094 0.000 1.000 45 T CA 0.572 62.725 62.100 0.089 0.000 0.982 45 T CB 1.514 70.473 68.868 0.151 0.000 1.249 45 T HN 1.118 nan 8.240 nan 0.000 0.589 46 Y N -0.221 120.038 120.300 -0.069 0.000 2.274 46 Y HA -0.113 4.417 4.550 -0.034 0.000 0.290 46 Y C 1.610 177.318 175.900 -0.320 0.000 1.145 46 Y CA 1.437 59.385 58.100 -0.252 0.000 1.203 46 Y CB -0.202 37.998 38.460 -0.432 0.000 0.984 46 Y HN 0.696 nan 8.280 nan 0.000 0.533 47 Y N -0.980 119.364 120.300 0.073 0.000 2.524 47 Y HA 0.275 4.792 4.550 -0.056 0.000 0.270 47 Y C 0.144 176.046 175.900 0.003 0.000 1.094 47 Y CA -0.287 57.812 58.100 -0.003 0.000 1.276 47 Y CB 0.475 38.989 38.460 0.090 0.000 1.130 47 Y HN -0.195 nan 8.280 nan 0.000 0.536 48 I N 0.790 121.469 120.570 0.181 0.000 2.354 48 I HA 0.195 4.334 4.170 -0.053 0.000 0.292 48 I C -0.192 175.954 176.117 0.048 0.000 0.989 48 I CA -0.960 60.404 61.300 0.106 0.000 1.188 48 I CB 1.229 39.291 38.000 0.104 0.000 1.342 48 I HN -0.083 nan 8.210 nan 0.000 0.457 49 E N 4.809 125.024 120.200 0.025 0.000 2.383 49 E HA -0.005 4.313 4.350 -0.053 0.000 0.264 49 E C 0.911 177.518 176.600 0.010 0.000 1.050 49 E CA 0.128 56.533 56.400 0.008 0.000 0.896 49 E CB 0.970 30.669 29.700 -0.001 0.000 0.982 49 E HN 0.622 nan 8.360 nan 0.000 0.424 50 E N 3.412 123.617 120.200 0.008 0.000 2.095 50 E HA -0.350 3.969 4.350 -0.053 0.000 0.212 50 E C 1.726 178.327 176.600 0.001 0.000 1.044 50 E CA 2.278 58.684 56.400 0.009 0.000 0.857 50 E CB 0.056 29.760 29.700 0.008 0.000 0.764 50 E HN 0.453 nan 8.360 nan 0.000 0.462 51 K N 0.704 121.101 120.400 -0.004 0.000 2.001 51 K HA -0.262 4.026 4.320 -0.053 0.000 0.214 51 K C 2.303 178.893 176.600 -0.016 0.000 1.050 51 K CA 2.152 58.432 56.287 -0.012 0.000 0.934 51 K CB -0.232 32.264 32.500 -0.007 0.000 0.718 51 K HN -0.008 nan 8.250 nan 0.000 0.443 52 K N 0.716 121.110 120.400 -0.009 0.000 2.283 52 K HA -0.080 4.208 4.320 -0.053 0.000 0.202 52 K C 2.158 178.745 176.600 -0.022 0.000 1.048 52 K CA 0.637 56.916 56.287 -0.013 0.000 0.948 52 K CB 0.011 32.509 32.500 -0.003 0.000 0.742 52 K HN 0.264 nan 8.250 nan 0.000 0.458 53 L N 0.019 121.235 121.223 -0.012 0.000 2.072 53 L HA -0.067 4.242 4.340 -0.053 0.000 0.205 53 L C 2.259 179.110 176.870 -0.032 0.000 1.079 53 L CA 1.603 56.436 54.840 -0.012 0.000 0.752 53 L CB -0.653 41.418 42.059 0.020 0.000 0.906 53 L HN 0.408 nan 8.230 nan 0.000 0.436 54 G N -1.193 107.588 108.800 -0.032 0.000 2.422 54 G HA2 -0.268 3.661 3.960 -0.053 0.000 0.218 54 G HA3 -0.268 3.661 3.960 -0.053 0.000 0.218 54 G C 1.406 176.242 174.900 -0.106 0.000 1.146 54 G CA 0.305 45.361 45.100 -0.075 0.000 0.769 54 G HN 0.406 nan 8.290 nan 0.000 0.547 55 Q N -0.092 119.666 119.800 -0.070 0.000 2.084 55 Q HA -0.084 4.224 4.340 -0.053 0.000 0.202 55 Q C 2.498 178.448 176.000 -0.083 0.000 0.978 55 Q CA 1.236 57.002 55.803 -0.062 0.000 0.844 55 Q CB -0.114 28.601 28.738 -0.039 0.000 0.898 55 Q HN 0.588 nan 8.270 nan 0.000 0.426 56 E N 0.460 120.608 120.200 -0.088 0.000 2.110 56 E HA -0.179 4.139 4.350 -0.053 0.000 0.193 56 E C 1.601 178.113 176.600 -0.147 0.000 0.988 56 E CA 1.143 57.480 56.400 -0.105 0.000 0.804 56 E CB -0.014 29.620 29.700 -0.109 0.000 0.745 56 E HN 0.347 nan 8.360 nan 0.000 0.458 57 N N 0.292 118.873 118.700 -0.197 0.000 2.216 57 N HA -0.074 4.635 4.740 -0.053 0.000 0.183 57 N C 1.620 176.917 175.510 -0.356 0.000 1.017 57 N CA 0.999 53.846 53.050 -0.338 0.000 0.861 57 N CB -0.021 38.122 38.487 -0.574 0.000 0.986 57 N HN 0.094 nan 8.380 nan 0.000 0.428 58 A N 1.190 123.862 122.820 -0.247 0.000 1.898 58 A HA -0.156 4.132 4.320 -0.053 0.000 0.216 58 A C 1.938 179.439 177.584 -0.139 0.000 1.181 58 A CA 1.323 53.266 52.037 -0.156 0.000 0.620 58 A CB -0.434 18.541 19.000 -0.042 0.000 0.819 58 A HN 0.284 nan 8.150 nan 0.000 0.442 59 E N -0.136 119.994 120.200 -0.116 0.000 2.058 59 E HA -0.147 4.171 4.350 -0.053 0.000 0.194 59 E C 2.301 178.842 176.600 -0.098 0.000 0.997 59 E CA 1.059 57.405 56.400 -0.091 0.000 0.801 59 E CB -0.317 29.340 29.700 -0.072 0.000 0.746 59 E HN 0.620 nan 8.360 nan 0.000 0.450 60 A N 1.271 124.020 122.820 -0.119 0.000 1.933 60 A HA -0.164 4.125 4.320 -0.053 0.000 0.218 60 A C 2.133 179.650 177.584 -0.111 0.000 1.175 60 A CA 0.939 52.913 52.037 -0.106 0.000 0.628 60 A CB -0.472 18.459 19.000 -0.114 0.000 0.814 60 A HN 0.200 nan 8.150 nan 0.000 0.444 61 L N -0.194 120.938 121.223 -0.151 0.000 1.970 61 L HA -0.130 4.179 4.340 -0.053 0.000 0.212 61 L C 2.272 179.073 176.870 -0.116 0.000 1.071 61 L CA 1.965 56.717 54.840 -0.148 0.000 0.751 61 L CB -1.069 40.871 42.059 -0.200 0.000 0.889 61 L HN 0.351 nan 8.230 nan 0.000 0.432 62 L N -0.583 120.572 121.223 -0.113 0.000 2.079 62 L HA -0.229 4.079 4.340 -0.053 0.000 0.210 62 L C 2.737 179.566 176.870 -0.068 0.000 1.081 62 L CA 1.698 56.484 54.840 -0.090 0.000 0.752 62 L CB -0.590 41.420 42.059 -0.081 0.000 0.896 62 L HN 0.261 nan 8.230 nan 0.000 0.433 63 R N -0.119 120.343 120.500 -0.064 0.000 2.091 63 R HA -0.162 4.147 4.340 -0.053 0.000 0.238 63 R C 2.275 178.549 176.300 -0.043 0.000 1.136 63 R CA 1.436 57.508 56.100 -0.047 0.000 0.959 63 R CB -0.306 29.968 30.300 -0.044 0.000 0.856 63 R HN 0.264 nan 8.270 nan 0.000 0.437 64 L N 0.050 121.243 121.223 -0.051 0.000 2.012 64 L HA -0.238 4.070 4.340 -0.053 0.000 0.210 64 L C 2.347 179.192 176.870 -0.041 0.000 1.073 64 L CA 1.509 56.322 54.840 -0.044 0.000 0.748 64 L CB -0.482 41.547 42.059 -0.051 0.000 0.891 64 L HN 0.260 nan 8.230 nan 0.000 0.431 65 I N -0.653 119.886 120.570 -0.051 0.000 2.163 65 I HA -0.288 3.850 4.170 -0.053 0.000 0.243 65 I C 2.607 178.703 176.117 -0.035 0.000 1.085 65 I CA 1.015 62.287 61.300 -0.047 0.000 1.347 65 I CB -0.342 37.621 38.000 -0.060 0.000 1.044 65 I HN 0.245 nan 8.210 nan 0.000 0.408 66 E N 1.349 121.528 120.200 -0.035 0.000 2.068 66 E HA -0.253 4.065 4.350 -0.053 0.000 0.207 66 E C 1.526 178.114 176.600 -0.020 0.000 1.032 66 E CA 1.694 58.078 56.400 -0.027 0.000 0.839 66 E CB -0.422 29.262 29.700 -0.027 0.000 0.758 66 E HN 0.423 nan 8.360 nan 0.000 0.457 67 D N -1.314 119.074 120.400 -0.020 0.000 2.371 67 D HA 0.025 4.633 4.640 -0.053 0.000 0.234 67 D C 1.109 177.401 176.300 -0.013 0.000 1.049 67 D CA 0.978 54.970 54.000 -0.015 0.000 0.907 67 D CB 0.183 40.975 40.800 -0.014 0.000 0.891 67 D HN 0.408 nan 8.370 nan 0.000 0.531 68 G N 1.372 110.162 108.800 -0.016 0.000 2.241 68 G HA2 -0.298 3.630 3.960 -0.053 0.000 0.244 68 G HA3 -0.298 3.630 3.960 -0.053 0.000 0.244 68 G C 1.138 176.029 174.900 -0.015 0.000 0.998 68 G CA -0.131 44.961 45.100 -0.013 0.000 0.621 68 G HN 0.200 nan 8.290 nan 0.000 0.519 69 K N 1.700 122.089 120.400 -0.018 0.000 2.633 69 K HA 0.046 4.334 4.320 -0.053 0.000 0.193 69 K C 2.384 178.968 176.600 -0.025 0.000 1.033 69 K CA 0.990 57.266 56.287 -0.019 0.000 0.980 69 K CB -0.773 31.715 32.500 -0.021 0.000 0.800 69 K HN 0.548 nan 8.250 nan 0.000 0.493 70 G N 1.045 109.829 108.800 -0.028 0.000 2.529 70 G HA2 -0.322 3.606 3.960 -0.053 0.000 0.219 70 G HA3 -0.322 3.606 3.960 -0.053 0.000 0.219 70 G C 1.655 176.536 174.900 -0.032 0.000 1.177 70 G CA 1.115 46.194 45.100 -0.035 0.000 0.773 70 G HN 0.397 nan 8.290 nan 0.000 0.573 71 C N -0.067 119.220 119.300 -0.021 0.000 2.468 71 C HA 0.171 4.599 4.460 -0.053 0.000 0.277 71 C C 2.554 177.536 174.990 -0.013 0.000 1.400 71 C CA 0.604 59.612 59.018 -0.017 0.000 1.770 71 C CB -0.544 27.191 27.740 -0.008 0.000 1.905 71 C HN 0.648 nan 8.230 nan 0.000 0.519 72 E N 0.855 121.049 120.200 -0.011 0.000 2.106 72 E HA -0.143 4.175 4.350 -0.053 0.000 0.192 72 E C 2.072 178.667 176.600 -0.008 0.000 0.984 72 E CA 1.052 57.450 56.400 -0.004 0.000 0.806 72 E CB 0.129 29.828 29.700 -0.001 0.000 0.750 72 E HN 0.427 nan 8.360 nan 0.000 0.458 73 V N 0.589 120.489 119.914 -0.023 0.000 2.261 73 V HA -0.266 3.822 4.120 -0.053 0.000 0.246 73 V C 2.448 178.520 176.094 -0.036 0.000 1.047 73 V CA 1.547 63.826 62.300 -0.035 0.000 1.015 73 V CB -0.407 31.384 31.823 -0.053 0.000 0.642 73 V HN 0.191 nan 8.190 nan 0.000 0.446 74 V N -0.241 119.648 119.914 -0.041 0.000 2.332 74 V HA -0.335 3.754 4.120 -0.053 0.000 0.248 74 V C 2.486 178.566 176.094 -0.023 0.000 1.055 74 V CA 2.370 64.642 62.300 -0.046 0.000 1.038 74 V CB -0.753 31.037 31.823 -0.054 0.000 0.651 74 V HN 0.598 nan 8.190 nan 0.000 0.450 75 Q N 0.484 120.279 119.800 -0.008 0.000 2.096 75 Q HA -0.250 4.058 4.340 -0.053 0.000 0.204 75 Q C 2.062 178.084 176.000 0.036 0.000 0.982 75 Q CA 2.314 58.122 55.803 0.010 0.000 0.850 75 Q CB -0.356 28.390 28.738 0.012 0.000 0.901 75 Q HN 0.662 nan 8.270 nan 0.000 0.422 76 E N -0.291 119.933 120.200 0.041 0.000 2.072 76 E HA -0.070 4.248 4.350 -0.053 0.000 0.191 76 E C 1.810 178.473 176.600 0.105 0.000 0.985 76 E CA 1.231 57.687 56.400 0.094 0.000 0.801 76 E CB -0.290 29.440 29.700 0.050 0.000 0.750 76 E HN 0.524 nan 8.360 nan 0.000 0.452 77 I N 0.429 121.009 120.570 0.017 0.000 2.179 77 I HA -0.291 3.847 4.170 -0.053 0.000 0.242 77 I C 2.500 178.636 176.117 0.033 0.000 1.088 77 I CA 1.336 62.633 61.300 -0.005 0.000 1.357 77 I CB -0.267 37.707 38.000 -0.043 0.000 1.051 77 I HN 0.117 nan 8.210 nan 0.000 0.409 78 K N 0.341 120.751 120.400 0.017 0.000 2.097 78 K HA -0.173 4.115 4.320 -0.053 0.000 0.206 78 K C 2.027 178.649 176.600 0.037 0.000 1.049 78 K CA 1.886 58.177 56.287 0.007 0.000 0.933 78 K CB -0.012 32.484 32.500 -0.007 0.000 0.717 78 K HN 0.252 nan 8.250 nan 0.000 0.442 79 T N 0.218 114.818 114.554 0.077 0.000 2.812 79 T HA -0.062 4.256 4.350 -0.053 0.000 0.264 79 T C 1.438 176.189 174.700 0.084 0.000 1.042 79 T CA 1.054 63.197 62.100 0.072 0.000 1.140 79 T CB -0.279 68.638 68.868 0.082 0.000 0.870 79 T HN 0.113 nan 8.240 nan 0.000 0.445 80 F N 1.413 121.345 119.950 -0.030 0.000 2.134 80 F HA -0.095 4.399 4.527 -0.054 0.000 0.299 80 F C 2.902 178.674 175.800 -0.046 0.000 1.097 80 F CA 1.185 59.165 58.000 -0.035 0.000 1.264 80 F CB -0.608 38.364 39.000 -0.047 0.000 1.001 80 F HN 0.102 nan 8.300 nan 0.000 0.479 81 S N -0.530 115.249 115.700 0.132 0.000 2.338 81 S HA -0.212 4.227 4.470 -0.053 0.000 0.218 81 S C 2.063 176.667 174.600 0.007 0.000 1.032 81 S CA 1.425 59.641 58.200 0.027 0.000 0.999 81 S CB -0.347 62.832 63.200 -0.034 0.000 0.905 81 S HN 0.432 nan 8.310 nan 0.000 0.439 82 Q N 0.254 120.056 119.800 0.004 0.000 2.096 82 Q HA -0.134 4.175 4.340 -0.053 0.000 0.204 82 Q C 1.748 177.741 176.000 -0.011 0.000 0.982 82 Q CA 1.535 57.335 55.803 -0.004 0.000 0.850 82 Q CB -0.262 28.471 28.738 -0.008 0.000 0.901 82 Q HN 0.696 nan 8.270 nan 0.000 0.422 83 E N -0.463 119.720 120.200 -0.029 0.000 2.502 83 E HA 0.064 4.382 4.350 -0.053 0.000 0.194 83 E C 0.634 177.206 176.600 -0.046 0.000 1.062 83 E CA 0.178 56.546 56.400 -0.054 0.000 0.867 83 E CB 0.164 29.801 29.700 -0.106 0.000 0.888 83 E HN 0.471 nan 8.360 nan 0.000 0.510 84 G N 2.807 111.601 108.800 -0.010 0.000 2.341 84 G HA2 -0.359 3.570 3.960 -0.053 0.000 0.292 84 G HA3 -0.359 3.570 3.960 -0.053 0.000 0.292 84 G C 0.770 175.703 174.900 0.054 0.000 1.021 84 G CA 0.595 45.713 45.100 0.030 0.000 0.905 84 G HN 0.332 nan 8.290 nan 0.000 0.508 85 R N -0.522 119.965 120.500 -0.022 0.000 2.307 85 R HA 0.352 4.660 4.340 -0.053 0.000 0.199 85 R C 1.119 177.493 176.300 0.124 0.000 1.000 85 R CA 0.981 57.069 56.100 -0.020 0.000 1.023 85 R CB 0.210 30.248 30.300 -0.436 0.000 0.908 85 R HN 0.787 nan 8.270 nan 0.000 0.473 86 A N 0.837 123.666 122.820 0.015 0.000 2.287 86 A HA 0.639 4.927 4.320 -0.053 0.000 0.317 86 A C 1.016 178.249 177.584 -0.586 0.000 1.220 86 A CA -0.224 51.674 52.037 -0.232 0.000 0.835 86 A CB 1.320 20.279 19.000 -0.069 0.000 1.180 86 A HN 0.149 nan 8.150 nan 0.000 0.500 87 A N 3.069 125.189 122.820 -1.166 0.000 1.870 87 A HA -0.107 4.181 4.320 -0.053 0.000 0.219 87 A C 1.233 178.588 177.584 -0.382 0.000 1.224 87 A CA 1.568 52.981 52.037 -1.041 0.000 0.650 87 A CB -0.370 17.932 19.000 -1.163 0.000 0.836 87 A HN 0.734 nan 8.150 nan 0.000 0.454 88 K N -1.200 118.993 120.400 -0.344 0.000 2.166 88 K HA 0.379 4.668 4.320 -0.053 0.000 0.245 88 K C 0.432 176.972 176.600 -0.100 0.000 0.967 88 K CA -0.733 55.486 56.287 -0.114 0.000 0.863 88 K CB 0.877 33.301 32.500 -0.127 0.000 1.107 88 K HN 0.218 nan 8.250 nan 0.000 0.436 89 Q N 1.071 120.864 119.800 -0.013 0.000 2.250 89 Q HA -0.059 4.249 4.340 -0.053 0.000 0.200 89 Q C 1.311 177.325 176.000 0.024 0.000 0.941 89 Q CA 1.094 56.881 55.803 -0.027 0.000 0.872 89 Q CB 0.105 28.836 28.738 -0.012 0.000 0.965 89 Q HN 0.536 nan 8.270 nan 0.000 0.480 90 E N 0.903 121.154 120.200 0.085 0.000 2.095 90 E HA -0.201 4.117 4.350 -0.053 0.000 0.212 90 E C -0.823 175.872 176.600 0.158 0.000 1.044 90 E CA 2.015 58.559 56.400 0.239 0.000 0.857 90 E CB -1.564 28.258 29.700 0.203 0.000 0.764 90 E HN 0.292 nan 8.360 nan 0.000 0.462 91 P HA -0.142 nan 4.420 nan 0.000 0.215 91 P C 1.210 178.459 177.300 -0.083 0.000 1.153 91 P CA 2.286 65.159 63.100 -0.377 0.000 0.853 91 P CB -0.125 31.015 31.700 -0.934 0.000 0.788 92 T N -0.958 113.545 114.554 -0.084 0.000 2.737 92 T HA -0.077 4.241 4.350 -0.053 0.000 0.265 92 T C 1.839 176.569 174.700 0.050 0.000 1.038 92 T CA 1.018 63.098 62.100 -0.034 0.000 1.144 92 T CB -1.208 67.616 68.868 -0.073 0.000 0.866 92 T HN 0.046 nan 8.240 nan 0.000 0.434 93 L N -0.282 121.019 121.223 0.131 0.000 2.131 93 L HA 0.041 4.349 4.340 -0.053 0.000 0.210 93 L C 2.410 179.495 176.870 0.358 0.000 1.092 93 L CA 1.187 56.196 54.840 0.283 0.000 0.759 93 L CB -0.583 41.700 42.059 0.374 0.000 0.903 93 L HN 0.161 nan 8.230 nan 0.000 0.435 94 F N 0.844 120.778 119.950 -0.027 0.000 2.206 94 F HA -0.107 4.388 4.527 -0.052 0.000 0.298 94 F C 2.389 178.066 175.800 -0.204 0.000 1.090 94 F CA 0.958 58.619 58.000 -0.565 0.000 1.323 94 F CB -0.217 38.228 39.000 -0.925 0.000 1.028 94 F HN -0.028 nan 8.300 nan 0.000 0.492 95 A N 0.436 123.225 122.820 -0.053 0.000 1.898 95 A HA -0.153 4.135 4.320 -0.053 0.000 0.216 95 A C 2.260 179.744 177.584 -0.167 0.000 1.181 95 A CA 1.636 53.598 52.037 -0.126 0.000 0.620 95 A CB -1.248 17.779 19.000 0.046 0.000 0.819 95 A HN 0.510 nan 8.150 nan 0.000 0.442 96 L N -1.017 120.171 121.223 -0.059 0.000 2.275 96 L HA -0.061 4.248 4.340 -0.053 0.000 0.215 96 L C 2.631 179.536 176.870 0.059 0.000 1.119 96 L CA 1.013 55.836 54.840 -0.029 0.000 0.790 96 L CB -0.191 41.848 42.059 -0.034 0.000 0.919 96 L HN 0.407 nan 8.230 nan 0.000 0.443 97 A N -1.081 121.735 122.820 -0.006 0.000 1.874 97 A HA -0.082 4.206 4.320 -0.053 0.000 0.214 97 A C 2.127 179.508 177.584 -0.339 0.000 1.189 97 A CA 1.348 53.260 52.037 -0.208 0.000 0.615 97 A CB -0.727 18.090 19.000 -0.304 0.000 0.830 97 A HN 0.200 nan 8.150 nan 0.000 0.443 98 V N -0.424 119.199 119.914 -0.485 0.000 2.287 98 V HA -0.348 3.741 4.120 -0.053 0.000 0.248 98 V C 2.640 178.569 176.094 -0.275 0.000 1.053 98 V CA 2.112 64.148 62.300 -0.439 0.000 1.027 98 V CB -1.295 30.202 31.823 -0.543 0.000 0.646 98 V HN 0.691 nan 8.190 nan 0.000 0.447 99 C N 0.396 119.551 119.300 -0.242 0.000 2.422 99 C HA -0.127 4.301 4.460 -0.053 0.000 0.279 99 C C 3.165 178.037 174.990 -0.197 0.000 1.305 99 C CA 1.430 60.338 59.018 -0.184 0.000 1.757 99 C CB -1.159 26.485 27.740 -0.160 0.000 1.962 99 C HN 0.722 nan 8.230 nan 0.000 0.499 100 S N -0.188 115.352 115.700 -0.267 0.000 2.595 100 S HA -0.088 4.350 4.470 -0.053 0.000 0.235 100 S C 1.429 175.945 174.600 -0.140 0.000 0.974 100 S CA 1.221 59.173 58.200 -0.414 0.000 0.942 100 S CB -0.343 62.521 63.200 -0.560 0.000 0.766 100 S HN 0.816 nan 8.310 nan 0.000 0.536 101 Q N -0.201 119.531 119.800 -0.113 0.000 2.279 101 Q HA 0.179 4.488 4.340 -0.053 0.000 0.261 101 Q C 1.224 177.196 176.000 -0.046 0.000 0.796 101 Q CA 0.302 56.074 55.803 -0.051 0.000 0.971 101 Q CB 0.100 28.786 28.738 -0.087 0.000 1.179 101 Q HN 0.774 nan 8.270 nan 0.000 0.505 102 C N 1.915 121.169 119.300 -0.076 0.000 2.833 102 C HA -0.037 4.392 4.460 -0.053 0.000 0.394 102 C C 2.416 177.387 174.990 -0.031 0.000 1.229 102 C CA 0.254 59.234 59.018 -0.063 0.000 1.826 102 C CB 0.011 27.706 27.740 -0.075 0.000 2.659 102 C HN 0.588 nan 8.230 nan 0.000 0.675 103 S N 0.352 116.035 115.700 -0.029 0.000 2.359 103 S HA -0.162 4.276 4.470 -0.053 0.000 0.224 103 S C 0.445 175.040 174.600 -0.007 0.000 1.035 103 S CA 1.419 59.610 58.200 -0.015 0.000 1.018 103 S CB -0.872 62.318 63.200 -0.016 0.000 0.876 103 S HN 0.988 nan 8.310 nan 0.000 0.448 104 D N 1.100 121.492 120.400 -0.013 0.000 2.506 104 D HA 0.140 4.748 4.640 -0.053 0.000 0.234 104 D C 0.788 177.092 176.300 0.007 0.000 1.143 104 D CA 0.248 54.244 54.000 -0.006 0.000 0.871 104 D CB 0.421 41.213 40.800 -0.014 0.000 1.190 104 D HN 0.302 nan 8.370 nan 0.000 0.459 105 I N 1.657 122.236 120.570 0.015 0.000 3.854 105 I HA 0.146 4.284 4.170 -0.053 0.000 0.312 105 I C 1.918 178.056 176.117 0.035 0.000 1.273 105 I CA -0.090 61.229 61.300 0.031 0.000 1.298 105 I CB -0.327 37.690 38.000 0.029 0.000 1.071 105 I HN 0.138 nan 8.210 nan 0.000 0.428 106 K N 1.576 121.988 120.400 0.020 0.000 2.001 106 K HA -0.010 4.278 4.320 -0.053 0.000 0.208 106 K C 2.076 178.685 176.600 0.015 0.000 1.048 106 K CA 1.965 58.262 56.287 0.017 0.000 0.932 106 K CB -0.868 31.636 32.500 0.008 0.000 0.715 106 K HN 0.314 nan 8.250 nan 0.000 0.437 107 T N 1.118 115.672 114.554 0.001 0.000 2.708 107 T HA -0.098 4.221 4.350 -0.053 0.000 0.266 107 T C 1.897 176.586 174.700 -0.019 0.000 1.037 107 T CA 1.330 63.419 62.100 -0.018 0.000 1.146 107 T CB -0.042 68.804 68.868 -0.035 0.000 0.865 107 T HN 0.239 nan 8.240 nan 0.000 0.435 108 K N 0.794 121.200 120.400 0.011 0.000 2.009 108 K HA -0.184 4.105 4.320 -0.053 0.000 0.210 108 K C 2.625 179.318 176.600 0.154 0.000 1.049 108 K CA 1.570 57.889 56.287 0.054 0.000 0.929 108 K CB -0.213 32.369 32.500 0.136 0.000 0.714 108 K HN 0.460 nan 8.250 nan 0.000 0.440 109 Q N 0.165 120.058 119.800 0.154 0.000 2.226 109 Q HA -0.143 4.165 4.340 -0.053 0.000 0.204 109 Q C 1.662 177.736 176.000 0.123 0.000 0.975 109 Q CA 1.505 57.411 55.803 0.173 0.000 0.866 109 Q CB -0.057 28.740 28.738 0.099 0.000 0.915 109 Q HN 0.292 nan 8.270 nan 0.000 0.440 110 A N 0.602 123.454 122.820 0.052 0.000 1.970 110 A HA 0.160 4.448 4.320 -0.053 0.000 0.216 110 A C 2.257 179.825 177.584 -0.027 0.000 1.170 110 A CA 1.051 53.097 52.037 0.014 0.000 0.645 110 A CB -0.603 18.393 19.000 -0.006 0.000 0.816 110 A HN 0.553 nan 8.150 nan 0.000 0.447 111 A N -0.471 122.297 122.820 -0.087 0.000 1.855 111 A HA -0.002 4.286 4.320 -0.053 0.000 0.215 111 A C 1.902 179.336 177.584 -0.249 0.000 1.191 111 A CA 1.465 53.369 52.037 -0.222 0.000 0.613 111 A CB -0.859 17.919 19.000 -0.370 0.000 0.829 111 A HN 0.474 nan 8.150 nan 0.000 0.442 112 F N -0.469 119.476 119.950 -0.008 0.000 2.293 112 F HA -0.052 4.443 4.527 -0.052 0.000 0.300 112 F C 2.434 178.217 175.800 -0.030 0.000 1.086 112 F CA 1.315 59.306 58.000 -0.015 0.000 1.375 112 F CB -0.140 38.876 39.000 0.025 0.000 1.045 112 F HN 0.152 nan 8.300 nan 0.000 0.516 113 R N 0.680 121.260 120.500 0.133 0.000 2.092 113 R HA -0.075 4.233 4.340 -0.053 0.000 0.231 113 R C 1.999 178.311 176.300 0.020 0.000 1.119 113 R CA 1.213 57.357 56.100 0.075 0.000 0.970 113 R CB -0.300 30.033 30.300 0.055 0.000 0.864 113 R HN 0.263 nan 8.270 nan 0.000 0.440 114 A N 0.014 122.818 122.820 -0.026 0.000 2.275 114 A HA 0.093 4.381 4.320 -0.053 0.000 0.212 114 A C 1.960 179.487 177.584 -0.095 0.000 1.201 114 A CA 0.045 52.049 52.037 -0.056 0.000 0.843 114 A CB 0.116 19.074 19.000 -0.070 0.000 0.873 114 A HN 0.152 nan 8.150 nan 0.000 0.492 115 V N 1.673 121.511 119.914 -0.126 0.000 2.278 115 V HA -0.193 3.895 4.120 -0.053 0.000 0.251 115 V C 0.027 176.094 176.094 -0.045 0.000 1.062 115 V CA 2.759 64.936 62.300 -0.206 0.000 1.038 115 V CB -1.161 30.533 31.823 -0.215 0.000 0.646 115 V HN 0.524 nan 8.190 nan 0.000 0.447 116 P HA -0.114 nan 4.420 nan 0.000 0.229 116 P C 1.123 178.431 177.300 0.013 0.000 1.160 116 P CA 1.218 64.370 63.100 0.087 0.000 0.777 116 P CB 0.060 31.772 31.700 0.020 0.000 0.814 117 E N -0.701 119.492 120.200 -0.013 0.000 2.447 117 E HA 0.054 4.372 4.350 -0.053 0.000 0.195 117 E C 1.555 178.141 176.600 -0.023 0.000 1.028 117 E CA 0.180 56.566 56.400 -0.022 0.000 0.876 117 E CB 0.282 29.965 29.700 -0.027 0.000 0.885 117 E HN 0.117 nan 8.360 nan 0.000 0.500 118 V N 0.103 119.990 119.914 -0.045 0.000 3.379 118 V HA 0.013 4.101 4.120 -0.053 0.000 0.249 118 V C 0.697 176.739 176.094 -0.087 0.000 1.184 118 V CA 0.464 62.710 62.300 -0.091 0.000 1.106 118 V CB 0.893 32.629 31.823 -0.146 0.000 0.826 118 V HN 0.226 nan 8.190 nan 0.000 0.465 119 C N 1.585 120.894 119.300 0.016 0.000 2.185 119 C HA 0.373 4.802 4.460 -0.053 0.000 0.357 119 C C 1.836 177.060 174.990 0.389 0.000 1.053 119 C CA -0.639 58.472 59.018 0.156 0.000 1.552 119 C CB -1.114 26.621 27.740 -0.009 0.000 1.679 119 C HN 0.437 nan 8.230 nan 0.000 0.453 120 R N 1.471 122.217 120.500 0.410 0.000 2.153 120 R HA 0.144 4.452 4.340 -0.053 0.000 0.218 120 R C 0.718 177.095 176.300 0.128 0.000 1.072 120 R CA 0.900 57.134 56.100 0.222 0.000 0.990 120 R CB 0.124 30.520 30.300 0.160 0.000 0.889 120 R HN 0.767 nan 8.270 nan 0.000 0.452 121 I N -4.029 116.500 120.570 -0.068 0.000 2.785 121 I HA 0.409 4.547 4.170 -0.053 0.000 0.302 121 I C -2.411 173.433 176.117 -0.455 0.000 1.069 121 I CA -3.119 57.974 61.300 -0.345 0.000 1.045 121 I CB 2.334 39.875 38.000 -0.765 0.000 1.236 121 I HN -0.326 nan 8.210 nan 0.000 0.429 122 P HA -0.202 nan 4.420 nan 0.000 0.217 122 P C 1.420 178.076 177.300 -1.073 0.000 1.158 122 P CA 2.328 64.878 63.100 -0.916 0.000 0.887 122 P CB -0.060 31.367 31.700 -0.454 0.000 0.792 123 T N -1.872 112.302 114.554 -0.632 0.000 2.653 123 T HA -0.263 4.055 4.350 -0.053 0.000 0.268 123 T C 1.479 176.097 174.700 -0.137 0.000 1.035 123 T CA 1.811 63.787 62.100 -0.205 0.000 1.154 123 T CB -1.387 67.418 68.868 -0.106 0.000 0.862 123 T HN 0.409 nan 8.240 nan 0.000 0.441 124 H N 0.238 119.169 119.070 -0.231 0.000 2.319 124 H HA -0.024 4.500 4.556 -0.053 0.000 0.297 124 H C 2.428 177.644 175.328 -0.186 0.000 1.097 124 H CA 1.081 57.038 56.048 -0.152 0.000 1.285 124 H CB -0.162 29.522 29.762 -0.129 0.000 1.368 124 H HN 0.162 nan 8.280 nan 0.000 0.495 125 L N 0.115 121.167 121.223 -0.285 0.000 2.027 125 L HA -0.172 4.136 4.340 -0.053 0.000 0.206 125 L C 2.058 178.814 176.870 -0.189 0.000 1.074 125 L CA 1.103 55.720 54.840 -0.371 0.000 0.745 125 L CB -0.312 41.215 42.059 -0.887 0.000 0.898 125 L HN 0.318 nan 8.230 nan 0.000 0.433 126 F N -0.332 119.482 119.950 -0.225 0.000 2.126 126 F HA -0.293 4.202 4.527 -0.053 0.000 0.299 126 F C 2.542 178.168 175.800 -0.290 0.000 1.096 126 F CA 1.441 59.286 58.000 -0.259 0.000 1.255 126 F CB -0.602 38.344 39.000 -0.090 0.000 0.997 126 F HN 0.096 nan 8.300 nan 0.000 0.479 127 T N 0.161 114.726 114.554 0.019 0.000 2.867 127 T HA -0.199 4.119 4.350 -0.053 0.000 0.268 127 T C 1.531 176.133 174.700 -0.164 0.000 1.057 127 T CA 1.087 63.101 62.100 -0.143 0.000 1.136 127 T CB -0.523 68.304 68.868 -0.068 0.000 0.874 127 T HN 0.282 nan 8.240 nan 0.000 0.466 128 F N 1.124 120.991 119.950 -0.137 0.000 2.113 128 F HA 0.013 4.508 4.527 -0.053 0.000 0.297 128 F C 1.954 177.669 175.800 -0.142 0.000 1.103 128 F CA 0.969 58.938 58.000 -0.051 0.000 1.248 128 F CB -0.252 38.690 39.000 -0.097 0.000 0.999 128 F HN -0.001 nan 8.300 nan 0.000 0.475 129 I N 0.629 120.977 120.570 -0.369 0.000 2.286 129 I HA -0.301 3.837 4.170 -0.053 0.000 0.248 129 I C 2.410 178.160 176.117 -0.611 0.000 1.115 129 I CA 1.615 62.519 61.300 -0.661 0.000 1.392 129 I CB -0.421 37.112 38.000 -0.779 0.000 1.065 129 I HN 0.288 nan 8.210 nan 0.000 0.418 130 Q N 0.406 119.902 119.800 -0.506 0.000 2.167 130 Q HA -0.182 4.126 4.340 -0.053 0.000 0.202 130 Q C 1.993 177.970 176.000 -0.037 0.000 0.970 130 Q CA 1.818 57.538 55.803 -0.139 0.000 0.855 130 Q CB -0.470 28.247 28.738 -0.036 0.000 0.911 130 Q HN 0.543 nan 8.270 nan 0.000 0.438 131 F N 0.302 120.191 119.950 -0.103 0.000 2.186 131 F HA -0.093 4.402 4.527 -0.053 0.000 0.299 131 F C 2.081 177.795 175.800 -0.143 0.000 1.090 131 F CA 0.752 58.735 58.000 -0.029 0.000 1.307 131 F CB 0.071 39.092 39.000 0.035 0.000 1.019 131 F HN 0.072 nan 8.300 nan 0.000 0.489 132 K N 0.337 120.636 120.400 -0.169 0.000 2.147 132 K HA -0.225 4.063 4.320 -0.053 0.000 0.205 132 K C 1.953 178.488 176.600 -0.109 0.000 1.049 132 K CA 1.188 57.316 56.287 -0.265 0.000 0.936 132 K CB -0.179 32.019 32.500 -0.503 0.000 0.722 132 K HN 0.200 nan 8.250 nan 0.000 0.446 133 K N 1.128 121.507 120.400 -0.034 0.000 2.031 133 K HA -0.137 4.151 4.320 -0.053 0.000 0.205 133 K C 1.434 178.096 176.600 0.103 0.000 1.049 133 K CA 1.515 57.849 56.287 0.077 0.000 0.939 133 K CB 0.128 32.754 32.500 0.209 0.000 0.717 133 K HN 0.036 nan 8.250 nan 0.000 0.438 134 D N 0.840 121.327 120.400 0.145 0.000 2.221 134 D HA -0.156 4.452 4.640 -0.053 0.000 0.204 134 D C 1.828 178.203 176.300 0.125 0.000 0.982 134 D CA 1.009 55.108 54.000 0.164 0.000 0.857 134 D CB 0.107 41.063 40.800 0.262 0.000 0.934 134 D HN 0.299 nan 8.370 nan 0.000 0.475 135 L N -0.143 121.134 121.223 0.090 0.000 2.307 135 L HA 0.042 4.350 4.340 -0.053 0.000 0.211 135 L C 1.546 178.424 176.870 0.013 0.000 1.099 135 L CA 0.326 55.187 54.840 0.034 0.000 0.816 135 L CB 0.006 42.043 42.059 -0.037 0.000 0.952 135 L HN -0.122 nan 8.230 nan 0.000 0.455 145 G N 0.082 108.970 108.800 0.148 0.000 2.684 145 G HA2 0.495 4.424 3.960 -0.053 0.000 0.290 145 G HA3 0.495 4.424 3.960 -0.053 0.000 0.290 145 G C -0.126 174.756 174.900 -0.029 0.000 1.425 145 G CA -0.480 44.635 45.100 0.025 0.000 0.822 145 G HN 0.281 nan 8.290 nan 0.000 0.482 146 R N 0.340 120.809 120.500 -0.051 0.000 2.171 146 R HA -0.185 4.123 4.340 -0.053 0.000 0.232 146 R C 2.940 179.146 176.300 -0.156 0.000 1.116 146 R CA 3.269 59.327 56.100 -0.069 0.000 0.901 146 R CB -1.066 29.197 30.300 -0.060 0.000 0.850 146 R HN 0.784 nan 8.270 nan 0.000 0.431 147 A N 0.464 123.100 122.820 -0.306 0.000 1.884 147 A HA -0.226 4.062 4.320 -0.053 0.000 0.219 147 A C 2.460 179.617 177.584 -0.711 0.000 1.197 147 A CA 1.977 53.630 52.037 -0.639 0.000 0.637 147 A CB -0.990 17.344 19.000 -1.110 0.000 0.827 147 A HN 0.427 nan 8.150 nan 0.000 0.450 148 L N -1.150 119.723 121.223 -0.584 0.000 1.970 148 L HA -0.239 4.070 4.340 -0.053 0.000 0.212 148 L C 2.960 179.843 176.870 0.022 0.000 1.071 148 L CA 2.061 56.746 54.840 -0.258 0.000 0.751 148 L CB -0.464 41.425 42.059 -0.282 0.000 0.889 148 L HN 0.431 nan 8.230 nan 0.000 0.432 149 R N -0.371 120.205 120.500 0.127 0.000 2.103 149 R HA -0.256 4.052 4.340 -0.053 0.000 0.242 149 R C 2.328 178.722 176.300 0.156 0.000 1.142 149 R CA 1.804 58.039 56.100 0.226 0.000 0.960 149 R CB -0.312 30.066 30.300 0.130 0.000 0.858 149 R HN 0.348 nan 8.270 nan 0.000 0.439 150 K N 0.504 120.942 120.400 0.062 0.000 2.001 150 K HA -0.105 4.183 4.320 -0.053 0.000 0.208 150 K C 2.141 178.812 176.600 0.118 0.000 1.048 150 K CA 1.353 57.680 56.287 0.066 0.000 0.932 150 K CB -0.128 32.373 32.500 0.002 0.000 0.715 150 K HN 0.167 nan 8.250 nan 0.000 0.437 151 A N 0.855 123.738 122.820 0.104 0.000 1.883 151 A HA -0.144 4.144 4.320 -0.053 0.000 0.217 151 A C 2.273 180.016 177.584 0.266 0.000 1.186 151 A CA 1.881 54.033 52.037 0.191 0.000 0.624 151 A CB -0.785 18.382 19.000 0.279 0.000 0.822 151 A HN 0.201 nan 8.150 nan 0.000 0.444 152 V N -0.107 119.987 119.914 0.301 0.000 2.343 152 V HA -0.218 3.870 4.120 -0.053 0.000 0.247 152 V C 2.803 179.207 176.094 0.517 0.000 1.051 152 V CA 2.306 64.852 62.300 0.409 0.000 1.036 152 V CB -0.789 31.337 31.823 0.504 0.000 0.654 152 V HN 0.580 nan 8.190 nan 0.000 0.451 153 S N 0.119 116.046 115.700 0.378 0.000 2.356 153 S HA -0.243 4.195 4.470 -0.053 0.000 0.223 153 S C 1.680 176.483 174.600 0.337 0.000 1.032 153 S CA 1.858 60.259 58.200 0.336 0.000 1.005 153 S CB -0.486 62.840 63.200 0.209 0.000 0.867 153 S HN 0.667 nan 8.310 nan 0.000 0.449 154 D N 0.036 120.593 120.400 0.261 0.000 2.182 154 D HA -0.125 4.483 4.640 -0.053 0.000 0.201 154 D C 1.328 177.752 176.300 0.206 0.000 0.986 154 D CA 0.789 54.904 54.000 0.192 0.000 0.847 154 D CB -0.146 40.740 40.800 0.144 0.000 0.942 154 D HN 0.526 nan 8.370 nan 0.000 0.467 155 W N -0.163 121.197 121.300 0.100 0.000 2.363 155 W HA -0.226 4.402 4.660 -0.053 0.000 0.296 155 W C 1.361 177.847 176.519 -0.054 0.000 1.212 155 W CA 1.379 58.711 57.345 -0.020 0.000 1.260 155 W CB -0.201 29.201 29.460 -0.097 0.000 1.131 155 W HN 0.058 nan 8.180 nan 0.000 0.530 156 Y N -0.677 119.818 120.300 0.326 0.000 2.262 156 Y HA -0.006 4.513 4.550 -0.053 0.000 0.295 156 Y C 2.398 178.322 175.900 0.040 0.000 1.121 156 Y CA 1.654 59.868 58.100 0.190 0.000 1.144 156 Y CB -1.114 37.517 38.460 0.286 0.000 1.043 156 Y HN -0.121 nan 8.280 nan 0.000 0.528 157 N N -0.324 118.523 118.700 0.244 0.000 2.453 157 N HA -0.120 4.589 4.740 -0.053 0.000 0.183 157 N C 1.471 177.008 175.510 0.045 0.000 1.041 157 N CA 1.651 54.776 53.050 0.126 0.000 0.900 157 N CB -0.210 38.349 38.487 0.119 0.000 0.961 157 N HN 0.443 nan 8.380 nan 0.000 0.443 158 T N -2.317 112.237 114.554 0.001 0.000 3.100 158 T HA 0.146 4.465 4.350 -0.053 0.000 0.253 158 T C 0.936 175.571 174.700 -0.108 0.000 1.118 158 T CA 0.146 62.215 62.100 -0.051 0.000 1.058 158 T CB 0.381 69.208 68.868 -0.067 0.000 0.953 158 T HN -0.112 nan 8.240 nan 0.000 0.515 159 K N 1.778 122.093 120.400 -0.142 0.000 2.155 159 K HA 0.324 4.612 4.320 -0.053 0.000 0.237 159 K C -0.529 176.008 176.600 -0.106 0.000 1.040 159 K CA -0.460 55.716 56.287 -0.186 0.000 0.912 159 K CB 0.350 32.691 32.500 -0.265 0.000 1.137 159 K HN 0.267 nan 8.250 nan 0.000 0.498 160 D N 0.833 121.164 120.400 -0.114 0.000 2.256 160 D HA 0.183 4.791 4.640 -0.053 0.000 0.240 160 D C 0.513 176.764 176.300 -0.080 0.000 1.062 160 D CA -0.304 53.646 54.000 -0.083 0.000 0.832 160 D CB 1.674 42.420 40.800 -0.091 0.000 1.135 160 D HN 0.546 nan 8.370 nan 0.000 0.484 161 A N 2.412 125.202 122.820 -0.051 0.000 1.906 161 A HA -0.291 3.997 4.320 -0.053 0.000 0.222 161 A C 1.915 179.444 177.584 -0.092 0.000 1.282 161 A CA 1.667 53.677 52.037 -0.044 0.000 0.675 161 A CB -0.759 18.224 19.000 -0.028 0.000 0.838 161 A HN 0.539 nan 8.150 nan 0.000 0.469 162 L N -0.163 120.986 121.223 -0.124 0.000 2.127 162 L HA -0.174 4.134 4.340 -0.053 0.000 0.211 162 L C 1.851 178.556 176.870 -0.274 0.000 1.089 162 L CA 2.552 57.263 54.840 -0.216 0.000 0.757 162 L CB -0.767 41.179 42.059 -0.189 0.000 0.899 162 L HN 0.483 nan 8.230 nan 0.000 0.434 163 N N -1.218 117.370 118.700 -0.187 0.000 2.207 163 N HA -0.111 4.597 4.740 -0.053 0.000 0.182 163 N C 1.806 177.233 175.510 -0.137 0.000 1.020 163 N CA 0.989 53.936 53.050 -0.171 0.000 0.858 163 N CB -0.287 38.109 38.487 -0.151 0.000 0.991 163 N HN 0.253 nan 8.380 nan 0.000 0.427 164 L N 0.694 121.849 121.223 -0.113 0.000 2.079 164 L HA -0.129 4.179 4.340 -0.053 0.000 0.210 164 L C 1.967 178.832 176.870 -0.009 0.000 1.081 164 L CA 1.416 56.226 54.840 -0.051 0.000 0.752 164 L CB -0.769 41.297 42.059 0.013 0.000 0.896 164 L HN 0.194 nan 8.230 nan 0.000 0.433 165 A N 0.132 122.918 122.820 -0.058 0.000 1.883 165 A HA -0.281 4.007 4.320 -0.053 0.000 0.217 165 A C 2.206 179.855 177.584 0.109 0.000 1.186 165 A CA 2.165 54.188 52.037 -0.024 0.000 0.624 165 A CB -0.419 18.516 19.000 -0.108 0.000 0.822 165 A HN 0.513 nan 8.150 nan 0.000 0.444 166 M N -0.510 119.084 119.600 -0.009 0.000 2.077 166 M HA -0.085 4.363 4.480 -0.053 0.000 0.261 166 M C 2.582 179.027 176.300 0.242 0.000 1.070 166 M CA 1.485 56.907 55.300 0.202 0.000 1.125 166 M CB -0.775 31.848 32.600 0.039 0.000 1.339 166 M HN 0.407 nan 8.290 nan 0.000 0.409 167 A N 1.096 124.015 122.820 0.165 0.000 1.892 167 A HA -0.150 4.139 4.320 -0.053 0.000 0.218 167 A C 2.283 180.051 177.584 0.308 0.000 1.188 167 A CA 2.554 54.746 52.037 0.259 0.000 0.631 167 A CB -1.387 17.701 19.000 0.148 0.000 0.822 167 A HN 0.483 nan 8.150 nan 0.000 0.447 168 V N -2.123 117.873 119.914 0.136 0.000 2.970 168 V HA -0.087 4.002 4.120 -0.053 0.000 0.260 168 V C 2.071 178.346 176.094 0.300 0.000 1.100 168 V CA 2.257 64.608 62.300 0.086 0.000 1.122 168 V CB -1.517 30.291 31.823 -0.026 0.000 0.721 168 V HN 0.687 nan 8.190 nan 0.000 0.483 169 T N -2.688 112.027 114.554 0.270 0.000 3.040 169 T HA 0.087 4.405 4.350 -0.053 0.000 0.252 169 T C 1.771 176.505 174.700 0.056 0.000 1.064 169 T CA 0.928 63.181 62.100 0.255 0.000 1.110 169 T CB 0.009 69.064 68.868 0.311 0.000 0.921 169 T HN 0.522 nan 8.240 nan 0.000 0.480 170 K N 0.513 120.908 120.400 -0.009 0.000 2.044 170 K HA 0.019 4.307 4.320 -0.053 0.000 0.204 170 K C -0.367 176.019 176.600 -0.358 0.000 1.049 170 K CA 0.726 56.769 56.287 -0.407 0.000 0.945 170 K CB 0.091 32.377 32.500 -0.357 0.000 0.724 170 K HN 0.439 nan 8.250 nan 0.000 0.440 171 Y N 1.310 121.691 120.300 0.134 0.000 2.919 171 Y HA 0.282 4.800 4.550 -0.053 0.000 0.341 171 Y C 0.518 176.655 175.900 0.395 0.000 1.045 171 Y CA -0.776 57.462 58.100 0.230 0.000 1.218 171 Y CB 1.195 39.802 38.460 0.246 0.000 1.137 171 Y HN -0.090 nan 8.280 nan 0.000 0.577 172 K N 1.310 121.930 120.400 0.367 0.000 2.057 172 K HA -0.145 4.144 4.320 -0.053 0.000 0.207 172 K C 0.082 176.860 176.600 0.296 0.000 1.049 172 K CA 1.353 57.862 56.287 0.370 0.000 0.931 172 K CB 0.122 32.750 32.500 0.214 0.000 0.714 172 K HN 0.630 nan 8.250 nan 0.000 0.440 173 Q N -0.585 119.323 119.800 0.181 0.000 2.503 173 Q HA 0.370 4.678 4.340 -0.053 0.000 0.268 173 Q C -1.402 174.588 176.000 -0.017 0.000 0.982 173 Q CA -0.958 54.800 55.803 -0.075 0.000 0.907 173 Q CB 1.336 29.984 28.738 -0.150 0.000 1.467 173 Q HN -0.181 nan 8.270 nan 0.000 0.394 174 R N 1.673 122.081 120.500 -0.154 0.000 2.744 174 R HA 0.522 4.831 4.340 -0.053 0.000 0.279 174 R C -0.483 175.828 176.300 0.018 0.000 0.977 174 R CA -0.514 55.634 56.100 0.079 0.000 0.906 174 R CB 1.024 31.545 30.300 0.367 0.000 1.197 174 R HN 1.022 nan 8.270 nan 0.000 0.463 175 N N 0.426 119.161 118.700 0.057 0.000 2.678 175 N HA -0.293 4.415 4.740 -0.053 0.000 0.250 175 N C 0.602 176.130 175.510 0.031 0.000 1.136 175 N CA 0.929 54.018 53.050 0.065 0.000 0.757 175 N CB -0.546 38.011 38.487 0.116 0.000 1.135 175 N HN 1.022 nan 8.380 nan 0.000 0.565 176 G N -2.763 105.985 108.800 -0.085 0.000 2.163 176 G HA2 -0.261 3.668 3.960 -0.053 0.000 0.213 176 G HA3 -0.261 3.668 3.960 -0.053 0.000 0.213 176 G C -0.417 174.202 174.900 -0.469 0.000 0.991 176 G CA -0.049 44.904 45.100 -0.245 0.000 0.653 176 G HN 0.343 nan 8.290 nan 0.000 0.518 177 W N 1.281 122.331 121.300 -0.417 0.000 2.702 177 W HA 0.701 5.329 4.660 -0.053 0.000 0.331 177 W C 0.513 176.390 176.519 -1.070 0.000 1.049 177 W CA -0.167 56.812 57.345 -0.611 0.000 1.230 177 W CB 1.931 31.056 29.460 -0.558 0.000 1.408 177 W HN 0.538 nan 8.180 nan 0.000 0.492 178 S N 0.076 115.538 115.700 -0.396 0.000 2.689 178 S HA 0.375 4.813 4.470 -0.053 0.000 0.306 178 S C 0.160 174.768 174.600 0.014 0.000 1.104 178 S CA -0.618 57.407 58.200 -0.293 0.000 0.973 178 S CB 1.242 64.397 63.200 -0.074 0.000 1.121 178 S HN 0.610 nan 8.310 nan 0.000 0.523 179 H N -0.030 119.272 119.070 0.387 0.000 2.524 179 H HA 0.186 4.710 4.556 -0.053 0.000 0.282 179 H C 1.898 177.380 175.328 0.256 0.000 1.016 179 H CA 1.209 57.543 56.048 0.477 0.000 1.270 179 H CB 0.117 30.196 29.762 0.528 0.000 1.394 179 H HN 0.644 nan 8.280 nan 0.000 0.568 180 K N 0.583 121.135 120.400 0.252 0.000 2.057 180 K HA -0.138 4.150 4.320 -0.053 0.000 0.206 180 K C 1.026 177.680 176.600 0.089 0.000 1.050 180 K CA 1.585 57.953 56.287 0.134 0.000 0.935 180 K CB 0.247 32.792 32.500 0.075 0.000 0.715 180 K HN 0.319 nan 8.250 nan 0.000 0.439 181 D N 0.827 121.287 120.400 0.101 0.000 2.123 181 D HA -0.125 4.483 4.640 -0.053 0.000 0.200 181 D C 2.101 178.460 176.300 0.097 0.000 0.976 181 D CA 0.908 54.958 54.000 0.083 0.000 0.831 181 D CB -0.049 40.818 40.800 0.111 0.000 0.974 181 D HN 0.230 nan 8.370 nan 0.000 0.469 182 L N 0.429 121.800 121.223 0.246 0.000 2.017 182 L HA -0.179 4.129 4.340 -0.053 0.000 0.208 182 L C 2.515 179.427 176.870 0.071 0.000 1.073 182 L CA 0.577 55.561 54.840 0.240 0.000 0.745 182 L CB -0.440 41.918 42.059 0.499 0.000 0.894 182 L HN 0.037 nan 8.230 nan 0.000 0.432 183 L N -0.119 121.131 121.223 0.044 0.000 2.079 183 L HA -0.206 4.103 4.340 -0.053 0.000 0.210 183 L C 2.755 179.615 176.870 -0.017 0.000 1.081 183 L CA 1.678 56.477 54.840 -0.068 0.000 0.752 183 L CB -0.871 41.141 42.059 -0.078 0.000 0.896 183 L HN 0.212 nan 8.230 nan 0.000 0.433 184 R N -0.711 119.780 120.500 -0.014 0.000 2.075 184 R HA -0.032 4.277 4.340 -0.053 0.000 0.226 184 R C 2.199 178.503 176.300 0.006 0.000 1.114 184 R CA 0.906 57.012 56.100 0.011 0.000 0.972 184 R CB -0.129 30.160 30.300 -0.018 0.000 0.869 184 R HN 0.326 nan 8.270 nan 0.000 0.437 185 L N 0.909 121.957 121.223 -0.292 0.000 2.217 185 L HA -0.072 4.236 4.340 -0.053 0.000 0.211 185 L C 2.083 178.529 176.870 -0.707 0.000 1.107 185 L CA 1.358 55.760 54.840 -0.730 0.000 0.783 185 L CB -0.171 40.938 42.059 -1.584 0.000 0.919 185 L HN 0.274 nan 8.230 nan 0.000 0.442 186 S N -3.205 112.295 115.700 -0.333 0.000 2.535 186 S HA -0.028 4.411 4.470 -0.053 0.000 0.214 186 S C 0.559 175.165 174.600 0.010 0.000 0.980 186 S CA -0.341 57.825 58.200 -0.057 0.000 0.907 186 S CB -0.165 63.148 63.200 0.187 0.000 0.790 186 S HN 0.421 nan 8.310 nan 0.000 0.510 187 H N 0.587 119.634 119.070 -0.038 0.000 2.655 187 H HA -0.124 4.400 4.556 -0.053 0.000 0.313 187 H C 0.195 175.529 175.328 0.009 0.000 1.141 187 H CA 0.642 56.680 56.048 -0.018 0.000 1.138 187 H CB -2.434 27.324 29.762 -0.006 0.000 1.446 187 H HN 0.667 nan 8.280 nan 0.000 0.415 188 I N 0.545 121.186 120.570 0.120 0.000 2.993 188 I HA -0.001 4.138 4.170 -0.053 0.000 0.286 188 I C 0.321 176.478 176.117 0.066 0.000 1.215 188 I CA 0.230 61.583 61.300 0.087 0.000 1.393 188 I CB 0.343 38.370 38.000 0.044 0.000 1.371 188 I HN 0.267 nan 8.210 nan 0.000 0.602 189 K N 6.366 126.807 120.400 0.068 0.000 2.604 189 K HA 0.454 4.743 4.320 -0.053 0.000 0.247 189 K C -2.539 174.097 176.600 0.061 0.000 0.956 189 K CA -1.723 54.597 56.287 0.056 0.000 0.896 189 K CB 1.051 33.582 32.500 0.052 0.000 1.131 189 K HN 0.295 nan 8.250 nan 0.000 0.440 190 P HA -0.157 nan 4.420 nan 0.000 0.259 190 P C 0.255 177.592 177.300 0.063 0.000 1.163 190 P CA 0.375 63.516 63.100 0.069 0.000 0.760 190 P CB 0.709 32.452 31.700 0.072 0.000 0.762 191 A N 3.234 126.093 122.820 0.064 0.000 2.206 191 A HA -0.010 4.279 4.320 -0.053 0.000 0.211 191 A C 0.773 178.384 177.584 0.045 0.000 1.158 191 A CA 0.939 53.007 52.037 0.052 0.000 0.761 191 A CB -0.763 18.266 19.000 0.049 0.000 0.801 191 A HN 0.736 nan 8.150 nan 0.000 0.473 192 N N -2.689 116.042 118.700 0.051 0.000 3.046 192 N HA 0.102 4.811 4.740 -0.053 0.000 0.243 192 N C -0.068 175.480 175.510 0.064 0.000 1.452 192 N CA -0.030 53.049 53.050 0.048 0.000 0.882 192 N CB 0.465 38.974 38.487 0.036 0.000 1.425 192 N HN -0.085 nan 8.380 nan 0.000 0.517 193 E N 0.027 120.269 120.200 0.070 0.000 2.085 193 E HA -0.051 4.268 4.350 -0.053 0.000 0.194 193 E C 1.676 178.336 176.600 0.099 0.000 0.994 193 E CA 2.343 58.806 56.400 0.105 0.000 0.801 193 E CB -0.820 28.946 29.700 0.110 0.000 0.743 193 E HN 0.731 nan 8.360 nan 0.000 0.453 194 G N 0.470 109.305 108.800 0.058 0.000 2.440 194 G HA2 -0.250 3.678 3.960 -0.053 0.000 0.218 194 G HA3 -0.250 3.678 3.960 -0.053 0.000 0.218 194 G C 1.532 176.455 174.900 0.039 0.000 1.154 194 G CA 0.947 46.064 45.100 0.029 0.000 0.767 194 G HN 0.269 nan 8.290 nan 0.000 0.552 195 L N 0.317 121.574 121.223 0.057 0.000 2.156 195 L HA -0.035 4.274 4.340 -0.053 0.000 0.208 195 L C 3.152 180.080 176.870 0.096 0.000 1.095 195 L CA 1.323 56.209 54.840 0.077 0.000 0.770 195 L CB -0.503 41.604 42.059 0.080 0.000 0.914 195 L HN 0.159 nan 8.230 nan 0.000 0.439 196 T N -0.440 114.178 114.554 0.107 0.000 2.821 196 T HA -0.239 4.079 4.350 -0.053 0.000 0.267 196 T C 1.840 176.643 174.700 0.172 0.000 1.046 196 T CA 1.377 63.557 62.100 0.133 0.000 1.139 196 T CB -0.123 68.834 68.868 0.148 0.000 0.871 196 T HN 0.271 nan 8.240 nan 0.000 0.454 197 M N 0.876 120.567 119.600 0.153 0.000 2.086 197 M HA -0.112 4.337 4.480 -0.053 0.000 0.261 197 M C 2.187 178.560 176.300 0.122 0.000 1.067 197 M CA 1.616 56.956 55.300 0.067 0.000 1.116 197 M CB -0.302 32.171 32.600 -0.212 0.000 1.348 197 M HN 0.080 nan 8.290 nan 0.000 0.407 198 V N 0.875 120.852 119.914 0.105 0.000 2.343 198 V HA -0.252 3.837 4.120 -0.053 0.000 0.247 198 V C 2.685 178.914 176.094 0.226 0.000 1.051 198 V CA 1.907 64.299 62.300 0.152 0.000 1.036 198 V CB -1.429 30.456 31.823 0.103 0.000 0.654 198 V HN 0.655 nan 8.190 nan 0.000 0.451 199 A N -0.236 122.683 122.820 0.165 0.000 1.877 199 A HA -0.275 4.013 4.320 -0.053 0.000 0.216 199 A C 2.337 180.012 177.584 0.152 0.000 1.186 199 A CA 2.230 54.347 52.037 0.133 0.000 0.620 199 A CB -0.492 18.556 19.000 0.080 0.000 0.822 199 A HN 0.524 nan 8.150 nan 0.000 0.443 200 K N -1.745 118.759 120.400 0.174 0.000 2.097 200 K HA -0.201 4.087 4.320 -0.053 0.000 0.206 200 K C 1.909 178.623 176.600 0.190 0.000 1.049 200 K CA 1.678 58.066 56.287 0.169 0.000 0.933 200 K CB -0.387 32.242 32.500 0.215 0.000 0.717 200 K HN 0.562 nan 8.250 nan 0.000 0.442 201 Y N 0.730 121.117 120.300 0.146 0.000 2.165 201 Y HA -0.252 4.266 4.550 -0.053 0.000 0.286 201 Y C 1.733 177.728 175.900 0.158 0.000 1.155 201 Y CA 1.589 59.798 58.100 0.182 0.000 1.164 201 Y CB -0.233 38.341 38.460 0.191 0.000 0.978 201 Y HN -0.154 nan 8.280 nan 0.000 0.513 202 V N 0.001 120.043 119.914 0.213 0.000 2.229 202 V HA -0.307 3.782 4.120 -0.053 0.000 0.243 202 V C 2.444 178.564 176.094 0.042 0.000 1.042 202 V CA 2.334 64.719 62.300 0.142 0.000 1.000 202 V CB -1.055 30.921 31.823 0.255 0.000 0.637 202 V HN 0.571 nan 8.190 nan 0.000 0.446 203 S N -0.054 115.683 115.700 0.062 0.000 2.355 203 S HA -0.124 4.314 4.470 -0.053 0.000 0.222 203 S C 1.808 176.409 174.600 0.003 0.000 1.031 203 S CA 0.997 59.216 58.200 0.031 0.000 0.993 203 S CB -0.251 62.968 63.200 0.032 0.000 0.859 203 S HN 0.494 nan 8.310 nan 0.000 0.453 204 K N 1.158 121.562 120.400 0.007 0.000 2.334 204 K HA 0.339 4.627 4.320 -0.053 0.000 0.195 204 K C 1.105 177.689 176.600 -0.026 0.000 1.045 204 K CA 0.684 56.970 56.287 -0.003 0.000 1.004 204 K CB 0.157 32.668 32.500 0.018 0.000 0.837 204 K HN 0.511 nan 8.250 nan 0.000 0.510 205 G N 0.728 109.483 108.800 -0.074 0.000 2.612 205 G HA2 -0.226 3.702 3.960 -0.053 0.000 0.686 205 G HA3 -0.226 3.702 3.960 -0.053 0.000 0.686 205 G C 0.070 174.979 174.900 0.015 0.000 1.274 205 G CA -0.213 44.814 45.100 -0.122 0.000 0.849 205 G HN 0.270 nan 8.290 nan 0.000 0.595 206 W N 0.833 122.027 121.300 -0.177 0.000 2.335 206 W HA -0.170 4.458 4.660 -0.053 0.000 0.311 206 W C 2.241 178.794 176.519 0.057 0.000 1.213 206 W CA 2.079 59.450 57.345 0.044 0.000 1.274 206 W CB -0.034 29.485 29.460 0.097 0.000 1.148 206 W HN 0.600 nan 8.180 nan 0.000 0.498 207 K N 0.677 121.058 120.400 -0.032 0.000 2.020 207 K HA -0.247 4.041 4.320 -0.053 0.000 0.212 207 K C 1.800 178.304 176.600 -0.160 0.000 1.050 207 K CA 2.152 58.336 56.287 -0.172 0.000 0.929 207 K CB -1.119 31.352 32.500 -0.048 0.000 0.714 207 K HN 0.238 nan 8.250 nan 0.000 0.443 208 E N -0.082 120.079 120.200 -0.063 0.000 2.160 208 E HA -0.157 4.161 4.350 -0.053 0.000 0.195 208 E C 1.834 178.427 176.600 -0.013 0.000 0.991 208 E CA 0.880 57.259 56.400 -0.035 0.000 0.810 208 E CB 0.091 29.789 29.700 -0.002 0.000 0.742 208 E HN 0.054 nan 8.360 nan 0.000 0.466 209 V N 0.365 120.283 119.914 0.007 0.000 2.535 209 V HA -0.185 3.903 4.120 -0.053 0.000 0.246 209 V C 2.284 178.364 176.094 -0.022 0.000 1.045 209 V CA 1.636 64.005 62.300 0.115 0.000 1.058 209 V CB -0.055 31.894 31.823 0.210 0.000 0.689 209 V HN 0.290 nan 8.190 nan 0.000 0.461 210 Q N -0.313 119.224 119.800 -0.437 0.000 2.124 210 Q HA -0.283 4.026 4.340 -0.053 0.000 0.202 210 Q C 2.123 177.980 176.000 -0.238 0.000 0.977 210 Q CA 2.165 57.610 55.803 -0.597 0.000 0.850 210 Q CB -0.000 28.111 28.738 -1.044 0.000 0.901 210 Q HN 0.711 nan 8.270 nan 0.000 0.429 211 E N -0.199 119.894 120.200 -0.177 0.000 2.208 211 E HA -0.071 4.248 4.350 -0.053 0.000 0.193 211 E C 1.375 177.933 176.600 -0.070 0.000 0.988 211 E CA 1.242 57.580 56.400 -0.105 0.000 0.828 211 E CB -0.123 29.522 29.700 -0.092 0.000 0.763 211 E HN 0.391 nan 8.360 nan 0.000 0.478 212 A N -0.818 121.977 122.820 -0.041 0.000 2.072 212 A HA 0.017 4.305 4.320 -0.053 0.000 0.216 212 A C 0.796 178.219 177.584 -0.268 0.000 1.156 212 A CA 0.561 52.518 52.037 -0.132 0.000 0.701 212 A CB -0.300 18.621 19.000 -0.132 0.000 0.816 212 A HN 0.336 nan 8.150 nan 0.000 0.458 213 Y N 0.241 120.498 120.300 -0.071 0.000 2.681 213 Y HA 0.207 4.726 4.550 -0.053 0.000 0.267 213 Y C 1.547 177.416 175.900 -0.051 0.000 1.166 213 Y CA -0.687 57.385 58.100 -0.047 0.000 1.209 213 Y CB 0.050 38.492 38.460 -0.031 0.000 1.161 213 Y HN 0.220 nan 8.280 nan 0.000 0.534 214 K N 0.687 121.102 120.400 0.026 0.000 2.032 214 K HA -0.239 4.050 4.320 -0.053 0.000 0.218 214 K C 1.142 177.755 176.600 0.021 0.000 1.054 214 K CA 1.891 58.181 56.287 0.004 0.000 0.941 214 K CB 0.090 32.575 32.500 -0.025 0.000 0.720 214 K HN 0.122 nan 8.250 nan 0.000 0.449 215 E N 0.559 120.765 120.200 0.011 0.000 3.254 215 E HA 0.063 4.382 4.350 -0.053 0.000 0.184 215 E C -1.133 175.475 176.600 0.013 0.000 0.967 215 E CA -0.048 56.362 56.400 0.017 0.000 1.311 215 E CB 0.560 30.263 29.700 0.006 0.000 1.071 215 E HN 0.078 nan 8.360 nan 0.000 0.456 216 K N 1.837 122.246 120.400 0.014 0.000 2.336 216 K HA 0.010 4.299 4.320 -0.053 0.000 0.290 216 K C 0.081 176.711 176.600 0.050 0.000 1.067 216 K CA -0.084 56.201 56.287 -0.003 0.000 0.962 216 K CB 0.376 32.837 32.500 -0.066 0.000 1.008 216 K HN -0.083 nan 8.250 nan 0.000 0.467 217 E N 4.082 124.301 120.200 0.032 0.000 2.603 217 E HA -0.086 4.232 4.350 -0.053 0.000 0.242 217 E C -0.439 176.197 176.600 0.059 0.000 1.083 217 E CA 0.412 56.837 56.400 0.041 0.000 0.950 217 E CB 0.056 29.772 29.700 0.026 0.000 0.952 217 E HN 0.371 nan 8.360 nan 0.000 0.498 218 L N 1.889 123.160 121.223 0.078 0.000 2.387 218 L HA 0.255 4.563 4.340 -0.053 0.000 0.266 218 L C 0.950 177.856 176.870 0.059 0.000 1.059 218 L CA -0.363 54.531 54.840 0.090 0.000 0.801 218 L CB 1.050 43.178 42.059 0.116 0.000 1.223 218 L HN 0.287 nan 8.230 nan 0.000 0.456 219 S N 1.417 117.150 115.700 0.055 0.000 2.600 219 S HA 0.281 4.719 4.470 -0.053 0.000 0.265 219 S C -1.451 173.168 174.600 0.032 0.000 1.325 219 S CA -0.973 57.249 58.200 0.038 0.000 1.002 219 S CB 0.600 63.820 63.200 0.034 0.000 0.921 219 S HN 0.556 nan 8.310 nan 0.000 0.554 220 P HA -0.084 nan 4.420 nan 0.000 0.217 220 P C 1.084 178.394 177.300 0.017 0.000 1.150 220 P CA 0.910 64.022 63.100 0.020 0.000 0.832 220 P CB 0.075 31.783 31.700 0.014 0.000 0.787 221 E N -0.160 120.047 120.200 0.012 0.000 2.107 221 E HA -0.072 4.246 4.350 -0.053 0.000 0.191 221 E C 1.986 178.588 176.600 0.003 0.000 0.982 221 E CA 1.326 57.728 56.400 0.003 0.000 0.809 221 E CB -1.091 28.608 29.700 -0.000 0.000 0.756 221 E HN 0.183 nan 8.360 nan 0.000 0.459 222 T N 1.124 115.686 114.554 0.014 0.000 2.857 222 T HA -0.070 4.248 4.350 -0.053 0.000 0.266 222 T C 1.577 176.279 174.700 0.004 0.000 1.048 222 T CA 0.827 62.933 62.100 0.011 0.000 1.139 222 T CB -0.003 68.889 68.868 0.040 0.000 0.874 222 T HN 0.059 nan 8.240 nan 0.000 0.455 223 E N 1.448 121.662 120.200 0.023 0.000 2.085 223 E HA -0.107 4.211 4.350 -0.053 0.000 0.194 223 E C 2.331 178.952 176.600 0.035 0.000 0.994 223 E CA 0.908 57.327 56.400 0.032 0.000 0.801 223 E CB -0.130 29.596 29.700 0.042 0.000 0.743 223 E HN 0.278 nan 8.360 nan 0.000 0.453 224 K N 0.371 120.790 120.400 0.032 0.000 2.074 224 K HA -0.127 4.161 4.320 -0.053 0.000 0.209 224 K C 2.217 178.838 176.600 0.035 0.000 1.048 224 K CA 0.955 57.269 56.287 0.045 0.000 0.926 224 K CB -0.558 31.954 32.500 0.019 0.000 0.713 224 K HN 0.070 nan 8.250 nan 0.000 0.444 225 V N 1.484 121.394 119.914 -0.006 0.000 2.358 225 V HA -0.225 3.863 4.120 -0.053 0.000 0.246 225 V C 2.378 178.465 176.094 -0.012 0.000 1.047 225 V CA 1.269 63.552 62.300 -0.029 0.000 1.035 225 V CB -0.417 31.374 31.823 -0.053 0.000 0.658 225 V HN 0.186 nan 8.190 nan 0.000 0.452 226 L N -0.053 121.161 121.223 -0.015 0.000 2.027 226 L HA -0.095 4.213 4.340 -0.053 0.000 0.206 226 L C 2.464 179.354 176.870 0.034 0.000 1.074 226 L CA 1.956 56.811 54.840 0.025 0.000 0.745 226 L CB -0.767 41.301 42.059 0.015 0.000 0.898 226 L HN 0.080 nan 8.230 nan 0.000 0.433 227 K N -0.697 119.715 120.400 0.020 0.000 2.032 227 K HA -0.309 3.979 4.320 -0.053 0.000 0.218 227 K C 2.186 178.604 176.600 -0.304 0.000 1.054 227 K CA 2.487 58.753 56.287 -0.036 0.000 0.941 227 K CB -1.122 31.434 32.500 0.094 0.000 0.720 227 K HN 0.508 nan 8.250 nan 0.000 0.449 228 Y N 1.312 121.372 120.300 -0.400 0.000 2.070 228 Y HA -0.226 4.292 4.550 -0.053 0.000 0.280 228 Y C 2.331 177.876 175.900 -0.592 0.000 1.148 228 Y CA 1.735 59.481 58.100 -0.589 0.000 1.125 228 Y CB -0.455 37.829 38.460 -0.294 0.000 0.975 228 Y HN -0.010 nan 8.280 nan 0.000 0.492 229 L N 0.370 121.370 121.223 -0.370 0.000 2.043 229 L HA -0.298 4.011 4.340 -0.053 0.000 0.212 229 L C 2.627 178.903 176.870 -0.990 0.000 1.075 229 L CA 2.068 56.507 54.840 -0.668 0.000 0.752 229 L CB -0.682 41.088 42.059 -0.482 0.000 0.891 229 L HN 0.413 nan 8.230 nan 0.000 0.432 230 E N 0.150 119.875 120.200 -0.792 0.000 2.058 230 E HA -0.276 4.043 4.350 -0.053 0.000 0.194 230 E C 2.183 178.408 176.600 -0.626 0.000 0.997 230 E CA 1.280 57.253 56.400 -0.711 0.000 0.801 230 E CB -0.022 29.629 29.700 -0.080 0.000 0.746 230 E HN 0.474 nan 8.360 nan 0.000 0.450 231 A N 0.779 123.173 122.820 -0.709 0.000 1.865 231 A HA -0.251 4.037 4.320 -0.053 0.000 0.217 231 A C 2.500 179.707 177.584 -0.629 0.000 1.191 231 A CA 2.914 54.525 52.037 -0.711 0.000 0.623 231 A CB -1.523 16.744 19.000 -1.221 0.000 0.826 231 A HN 0.566 nan 8.150 nan 0.000 0.444 232 T N -2.018 112.056 114.554 -0.799 0.000 2.737 232 T HA -0.186 4.133 4.350 -0.053 0.000 0.269 232 T C 1.591 176.046 174.700 -0.408 0.000 1.040 232 T CA 1.582 63.317 62.100 -0.607 0.000 1.142 232 T CB -0.350 68.148 68.868 -0.616 0.000 0.861 232 T HN 0.429 nan 8.240 nan 0.000 0.456 233 E N 1.041 120.921 120.200 -0.533 0.000 2.072 233 E HA 0.012 4.331 4.350 -0.053 0.000 0.190 233 E C 2.394 178.847 176.600 -0.245 0.000 0.982 233 E CA 0.869 57.014 56.400 -0.425 0.000 0.803 233 E CB -0.363 28.846 29.700 -0.819 0.000 0.755 233 E HN 0.434 nan 8.360 nan 0.000 0.453 234 R N 0.909 121.256 120.500 -0.255 0.000 2.091 234 R HA -0.099 4.209 4.340 -0.053 0.000 0.238 234 R C 2.235 178.476 176.300 -0.098 0.000 1.136 234 R CA 1.127 57.148 56.100 -0.132 0.000 0.959 234 R CB -0.710 29.514 30.300 -0.127 0.000 0.856 234 R HN 0.153 nan 8.270 nan 0.000 0.437 235 V N 0.401 120.235 119.914 -0.134 0.000 3.383 235 V HA -0.035 4.053 4.120 -0.053 0.000 0.272 235 V C 0.720 176.802 176.094 -0.021 0.000 1.181 235 V CA 1.482 63.724 62.300 -0.098 0.000 1.171 235 V CB -0.374 31.370 31.823 -0.131 0.000 0.800 235 V HN 0.296 nan 8.190 nan 0.000 0.515 236 K N -0.644 119.748 120.400 -0.013 0.000 2.374 236 K HA 0.287 4.575 4.320 -0.053 0.000 0.202 236 K C 1.460 178.089 176.600 0.049 0.000 1.040 236 K CA -0.283 56.029 56.287 0.042 0.000 1.085 236 K CB 0.457 32.964 32.500 0.011 0.000 0.873 236 K HN 0.337 nan 8.250 nan 0.000 0.539 237 R N 0.062 120.581 120.500 0.032 0.000 2.225 237 R HA 0.067 4.375 4.340 -0.053 0.000 0.194 237 R C 1.014 177.340 176.300 0.044 0.000 0.949 237 R CA 0.259 56.383 56.100 0.040 0.000 1.088 237 R CB -0.371 29.951 30.300 0.037 0.000 1.106 237 R HN -0.043 nan 8.270 nan 0.000 0.566 238 T N 1.697 116.268 114.554 0.029 0.000 2.940 238 T HA 0.036 4.354 4.350 -0.053 0.000 0.309 238 T C 1.038 175.763 174.700 0.042 0.000 1.056 238 T CA 0.218 62.331 62.100 0.020 0.000 1.137 238 T CB 0.624 69.486 68.868 -0.011 0.000 0.976 238 T HN -0.081 nan 8.240 nan 0.000 0.547 239 K N 2.352 122.775 120.400 0.039 0.000 2.334 239 K HA 0.094 4.382 4.320 -0.053 0.000 0.195 239 K C 0.375 176.990 176.600 0.026 0.000 1.045 239 K CA 0.048 56.370 56.287 0.059 0.000 1.004 239 K CB 0.033 32.561 32.500 0.047 0.000 0.837 239 K HN 0.622 nan 8.250 nan 0.000 0.510 240 D N 2.256 122.654 120.400 -0.004 0.000 2.382 240 D HA -0.035 4.573 4.640 -0.053 0.000 0.259 240 D C 0.860 177.121 176.300 -0.065 0.000 1.224 240 D CA 0.408 54.393 54.000 -0.026 0.000 0.894 240 D CB 0.857 41.642 40.800 -0.026 0.000 1.127 240 D HN 0.058 nan 8.370 nan 0.000 0.487 241 E N 3.169 123.332 120.200 -0.062 0.000 2.106 241 E HA -0.129 4.189 4.350 -0.053 0.000 0.192 241 E C 1.758 178.305 176.600 -0.088 0.000 0.984 241 E CA 0.280 56.623 56.400 -0.095 0.000 0.806 241 E CB 0.206 29.877 29.700 -0.047 0.000 0.750 241 E HN 0.507 nan 8.360 nan 0.000 0.458 242 L N 1.098 122.275 121.223 -0.076 0.000 2.079 242 L HA -0.209 4.100 4.340 -0.053 0.000 0.210 242 L C 2.322 179.128 176.870 -0.107 0.000 1.081 242 L CA 1.722 56.502 54.840 -0.101 0.000 0.752 242 L CB -0.990 40.997 42.059 -0.120 0.000 0.896 242 L HN 0.271 nan 8.230 nan 0.000 0.433 243 E N -0.067 120.089 120.200 -0.073 0.000 2.107 243 E HA -0.176 4.142 4.350 -0.053 0.000 0.191 243 E C 2.381 178.983 176.600 0.004 0.000 0.982 243 E CA 0.622 57.015 56.400 -0.011 0.000 0.809 243 E CB 0.122 29.818 29.700 -0.006 0.000 0.756 243 E HN 0.432 nan 8.360 nan 0.000 0.459 244 I N 1.020 121.547 120.570 -0.072 0.000 2.099 244 I HA -0.326 3.812 4.170 -0.053 0.000 0.239 244 I C 2.486 178.568 176.117 -0.058 0.000 1.066 244 I CA 1.174 62.406 61.300 -0.114 0.000 1.324 244 I CB -0.342 37.510 38.000 -0.246 0.000 1.037 244 I HN 0.212 nan 8.210 nan 0.000 0.401 245 I N -0.115 120.425 120.570 -0.049 0.000 2.185 245 I HA -0.420 3.718 4.170 -0.053 0.000 0.246 245 I C 2.623 178.776 176.117 0.060 0.000 1.088 245 I CA 1.722 63.014 61.300 -0.013 0.000 1.347 245 I CB -0.705 37.285 38.000 -0.016 0.000 1.041 245 I HN 0.348 nan 8.210 nan 0.000 0.415 246 H N 0.641 119.681 119.070 -0.051 0.000 2.290 246 H HA -0.175 4.349 4.556 -0.053 0.000 0.298 246 H C 2.461 177.766 175.328 -0.039 0.000 1.087 246 H CA 1.454 57.476 56.048 -0.043 0.000 1.291 246 H CB 0.099 29.841 29.762 -0.033 0.000 1.369 246 H HN 0.246 nan 8.280 nan 0.000 0.492 247 L N 0.416 121.691 121.223 0.087 0.000 2.083 247 L HA -0.210 4.099 4.340 -0.053 0.000 0.209 247 L C 2.539 179.434 176.870 0.041 0.000 1.083 247 L CA 0.812 55.698 54.840 0.077 0.000 0.752 247 L CB -0.298 41.788 42.059 0.044 0.000 0.899 247 L HN 0.357 nan 8.230 nan 0.000 0.433 248 I N -0.088 120.477 120.570 -0.007 0.000 2.163 248 I HA -0.317 3.821 4.170 -0.053 0.000 0.243 248 I C 2.025 178.125 176.117 -0.029 0.000 1.085 248 I CA 1.440 62.724 61.300 -0.027 0.000 1.347 248 I CB -0.391 37.584 38.000 -0.042 0.000 1.044 248 I HN 0.257 nan 8.210 nan 0.000 0.408 249 D N 0.580 120.956 120.400 -0.040 0.000 2.097 249 D HA -0.193 4.415 4.640 -0.053 0.000 0.195 249 D C 2.173 178.385 176.300 -0.146 0.000 0.989 249 D CA 1.174 55.132 54.000 -0.069 0.000 0.827 249 D CB -0.090 40.680 40.800 -0.049 0.000 0.966 249 D HN 0.284 nan 8.370 nan 0.000 0.456 250 E N -1.142 118.911 120.200 -0.246 0.000 2.106 250 E HA -0.119 4.199 4.350 -0.053 0.000 0.192 250 E C 0.593 176.803 176.600 -0.650 0.000 0.984 250 E CA 0.709 56.805 56.400 -0.508 0.000 0.806 250 E CB 0.150 29.416 29.700 -0.723 0.000 0.750 250 E HN 0.434 nan 8.360 nan 0.000 0.458 251 Y N -0.705 119.558 120.300 -0.062 0.000 2.660 251 Y HA 0.338 4.856 4.550 -0.053 0.000 0.254 251 Y C -0.037 175.882 175.900 0.032 0.000 1.176 251 Y CA -0.480 57.622 58.100 0.003 0.000 1.195 251 Y CB 0.660 39.090 38.460 -0.050 0.000 1.190 251 Y HN -0.184 nan 8.280 nan 0.000 0.535 252 R N 1.314 121.855 120.500 0.068 0.000 3.322 252 R HA -0.194 4.114 4.340 -0.053 0.000 0.253 252 R C -0.840 175.512 176.300 0.087 0.000 0.987 252 R CA 0.315 56.452 56.100 0.062 0.000 0.666 252 R CB -1.772 28.567 30.300 0.065 0.000 1.072 252 R HN 0.423 nan 8.270 nan 0.000 0.447 253 L N 0.512 121.745 121.223 0.017 0.000 2.417 253 L HA 0.326 4.634 4.340 -0.053 0.000 0.268 253 L C 1.225 178.176 176.870 0.136 0.000 1.158 253 L CA -0.414 54.403 54.840 -0.038 0.000 0.819 253 L CB 0.919 42.814 42.059 -0.273 0.000 1.112 253 L HN -0.039 nan 8.230 nan 0.000 0.458 254 V N 0.156 120.293 119.914 0.371 0.000 3.234 254 V HA 0.453 4.541 4.120 -0.053 0.000 0.317 254 V C 1.248 177.318 176.094 -0.041 0.000 1.147 254 V CA -0.818 61.528 62.300 0.077 0.000 1.037 254 V CB 1.473 33.304 31.823 0.013 0.000 1.148 254 V HN 0.762 nan 8.190 nan 0.000 0.455 255 R N -0.200 120.202 120.500 -0.163 0.000 2.162 255 R HA -0.269 4.040 4.340 -0.053 0.000 0.245 255 R C 2.009 178.196 176.300 -0.188 0.000 1.129 255 R CA 2.932 58.888 56.100 -0.242 0.000 0.940 255 R CB -0.409 29.738 30.300 -0.255 0.000 0.875 255 R HN 0.958 nan 8.270 nan 0.000 0.437 256 E N -0.794 119.266 120.200 -0.234 0.000 2.273 256 E HA -0.194 4.124 4.350 -0.053 0.000 0.198 256 E C 1.755 178.212 176.600 -0.240 0.000 1.002 256 E CA 1.231 57.473 56.400 -0.262 0.000 0.828 256 E CB -0.204 29.258 29.700 -0.397 0.000 0.747 256 E HN 0.516 nan 8.360 nan 0.000 0.491 257 H N -0.882 118.124 119.070 -0.107 0.000 2.529 257 H HA 0.068 4.593 4.556 -0.053 0.000 0.277 257 H C 0.095 175.377 175.328 -0.078 0.000 0.999 257 H CA 0.383 56.371 56.048 -0.099 0.000 1.256 257 H CB 0.130 29.819 29.762 -0.122 0.000 1.402 257 H HN 0.067 nan 8.280 nan 0.000 0.566 258 L N 0.852 122.094 121.223 0.032 0.000 2.360 258 L HA 0.214 4.522 4.340 -0.053 0.000 0.271 258 L C 0.228 177.139 176.870 0.069 0.000 1.057 258 L CA -0.291 54.589 54.840 0.066 0.000 0.803 258 L CB 1.206 43.277 42.059 0.019 0.000 1.207 258 L HN -0.037 nan 8.230 nan 0.000 0.445 259 L N 1.224 122.533 121.223 0.143 0.000 2.416 259 L HA 0.070 4.378 4.340 -0.053 0.000 0.272 259 L C 1.731 178.531 176.870 -0.117 0.000 1.161 259 L CA 0.016 54.823 54.840 -0.055 0.000 0.845 259 L CB 0.802 42.726 42.059 -0.225 0.000 1.119 259 L HN 0.859 nan 8.230 nan 0.000 0.464 260 T N 2.509 117.014 114.554 -0.082 0.000 2.996 260 T HA -0.136 4.182 4.350 -0.053 0.000 0.271 260 T C 1.465 176.131 174.700 -0.058 0.000 1.126 260 T CA 1.271 63.346 62.100 -0.041 0.000 1.103 260 T CB -0.263 68.598 68.868 -0.012 0.000 0.870 260 T HN 0.558 nan 8.240 nan 0.000 0.528 261 I N -1.368 119.092 120.570 -0.183 0.000 2.761 261 I HA 0.027 4.165 4.170 -0.053 0.000 0.261 261 I C 1.964 178.018 176.117 -0.105 0.000 1.198 261 I CA 1.108 62.309 61.300 -0.165 0.000 1.482 261 I CB -1.015 36.847 38.000 -0.231 0.000 1.100 261 I HN 0.360 nan 8.210 nan 0.000 0.445 262 H N 0.905 119.990 119.070 0.024 0.000 2.535 262 H HA 0.134 4.658 4.556 -0.053 0.000 0.273 262 H C 1.265 176.623 175.328 0.050 0.000 0.983 262 H CA 0.003 56.061 56.048 0.017 0.000 1.238 262 H CB 0.330 30.074 29.762 -0.030 0.000 1.412 262 H HN 0.118 nan 8.280 nan 0.000 0.562 263 L N 0.925 122.253 121.223 0.174 0.000 2.713 263 L HA 0.002 4.311 4.340 -0.053 0.000 0.245 263 L C 1.345 178.518 176.870 0.504 0.000 1.169 263 L CA 1.103 56.137 54.840 0.323 0.000 0.962 263 L CB -0.463 41.762 42.059 0.276 0.000 1.161 263 L HN 0.146 nan 8.230 nan 0.000 0.427 264 K N -1.572 119.019 120.400 0.318 0.000 2.438 264 K HA 0.141 4.429 4.320 -0.053 0.000 0.206 264 K C 0.692 177.422 176.600 0.216 0.000 1.081 264 K CA 0.020 56.444 56.287 0.228 0.000 1.053 264 K CB 0.649 33.229 32.500 0.134 0.000 0.908 264 K HN 0.082 nan 8.250 nan 0.000 0.556 265 S N 0.710 116.572 115.700 0.270 0.000 2.439 265 S HA 0.139 4.578 4.470 -0.053 0.000 0.282 265 S C 0.994 175.765 174.600 0.284 0.000 1.170 265 S CA -0.478 57.852 58.200 0.217 0.000 1.054 265 S CB 1.020 64.319 63.200 0.165 0.000 0.956 265 S HN 0.285 nan 8.310 nan 0.000 0.490 266 K N 3.188 123.696 120.400 0.180 0.000 2.044 266 K HA -0.145 4.144 4.320 -0.053 0.000 0.210 266 K C 1.271 177.978 176.600 0.179 0.000 1.049 266 K CA 1.656 58.037 56.287 0.155 0.000 0.927 266 K CB -0.106 32.442 32.500 0.080 0.000 0.713 266 K HN 0.669 nan 8.250 nan 0.000 0.443 267 E N 0.687 120.963 120.200 0.126 0.000 2.204 267 E HA -0.149 4.169 4.350 -0.053 0.000 0.194 267 E C 2.019 178.672 176.600 0.088 0.000 0.989 267 E CA 0.584 57.039 56.400 0.091 0.000 0.824 267 E CB -0.080 29.650 29.700 0.050 0.000 0.756 267 E HN 0.363 nan 8.360 nan 0.000 0.477 268 I N -0.613 120.016 120.570 0.098 0.000 2.179 268 I HA -0.234 3.904 4.170 -0.053 0.000 0.242 268 I C 2.112 178.223 176.117 -0.011 0.000 1.088 268 I CA 1.085 62.385 61.300 0.000 0.000 1.357 268 I CB -1.177 36.790 38.000 -0.054 0.000 1.051 268 I HN 0.199 nan 8.210 nan 0.000 0.409 269 W N 1.515 122.821 121.300 0.011 0.000 2.388 269 W HA -0.109 4.519 4.660 -0.053 0.000 0.294 269 W C 2.588 179.107 176.519 -0.001 0.000 1.212 269 W CA 0.759 58.107 57.345 0.004 0.000 1.271 269 W CB -0.503 28.959 29.460 0.003 0.000 1.126 269 W HN 0.037 nan 8.180 nan 0.000 0.535 270 K N -0.117 120.418 120.400 0.225 0.000 2.280 270 K HA -0.148 4.140 4.320 -0.053 0.000 0.202 270 K C 2.187 178.834 176.600 0.080 0.000 1.047 270 K CA 1.487 57.850 56.287 0.126 0.000 0.942 270 K CB -0.296 32.258 32.500 0.090 0.000 0.739 270 K HN 0.087 nan 8.250 nan 0.000 0.457 271 S N 0.223 115.959 115.700 0.060 0.000 2.470 271 S HA 0.001 4.439 4.470 -0.053 0.000 0.222 271 S C 1.755 176.355 174.600 0.000 0.000 1.024 271 S CA 0.140 58.351 58.200 0.019 0.000 0.931 271 S CB 0.113 63.312 63.200 -0.003 0.000 0.791 271 S HN 0.088 nan 8.310 nan 0.000 0.513 272 L N 1.322 122.540 121.223 -0.009 0.000 2.179 272 L HA 0.327 4.635 4.340 -0.053 0.000 0.208 272 L C 2.114 178.999 176.870 0.025 0.000 1.096 272 L CA 1.023 55.832 54.840 -0.051 0.000 0.779 272 L CB -0.943 40.987 42.059 -0.216 0.000 0.922 272 L HN 0.413 nan 8.230 nan 0.000 0.443 273 L N -0.808 120.469 121.223 0.089 0.000 2.093 273 L HA -0.189 4.119 4.340 -0.053 0.000 0.208 273 L C 2.453 179.350 176.870 0.045 0.000 1.085 273 L CA 1.477 56.370 54.840 0.088 0.000 0.755 273 L CB -0.555 41.567 42.059 0.104 0.000 0.904 273 L HN 0.329 nan 8.230 nan 0.000 0.435 274 Q N -0.099 119.722 119.800 0.034 0.000 2.066 274 Q HA -0.316 3.992 4.340 -0.053 0.000 0.216 274 Q C 0.392 176.400 176.000 0.013 0.000 1.035 274 Q CA 2.671 58.485 55.803 0.019 0.000 0.897 274 Q CB -0.124 28.621 28.738 0.011 0.000 1.010 274 Q HN 0.574 nan 8.270 nan 0.000 0.416 275 D N -1.271 119.135 120.400 0.011 0.000 2.720 275 D HA 0.200 4.808 4.640 -0.053 0.000 0.285 275 D C -0.838 175.469 176.300 0.012 0.000 1.359 275 D CA -0.113 53.892 54.000 0.008 0.000 0.818 275 D CB 0.103 40.905 40.800 0.003 0.000 1.108 275 D HN 0.271 nan 8.370 nan 0.000 0.474 276 M N 1.253 120.863 119.600 0.017 0.000 2.251 276 M HA 0.153 4.602 4.480 -0.053 0.000 0.343 276 M C -2.175 174.135 176.300 0.017 0.000 1.245 276 M CA -0.622 54.690 55.300 0.019 0.000 1.061 276 M CB 0.684 33.307 32.600 0.039 0.000 1.723 276 M HN -0.187 nan 8.290 nan 0.000 0.449 277 P HA 0.026 nan 4.420 nan 0.000 0.272 277 P C 0.383 177.691 177.300 0.014 0.000 1.223 277 P CA -0.154 62.956 63.100 0.017 0.000 0.784 277 P CB 0.551 32.264 31.700 0.022 0.000 0.923 278 L N 0.743 121.974 121.223 0.012 0.000 2.042 278 L HA -0.201 4.107 4.340 -0.053 0.000 0.210 278 L C 2.051 178.922 176.870 0.002 0.000 1.076 278 L CA 1.860 56.704 54.840 0.006 0.000 0.749 278 L CB -0.925 41.139 42.059 0.008 0.000 0.893 278 L HN 0.469 nan 8.230 nan 0.000 0.432 279 T N -0.318 114.239 114.554 0.005 0.000 2.777 279 T HA -0.104 4.214 4.350 -0.053 0.000 0.266 279 T C 2.003 176.697 174.700 -0.010 0.000 1.040 279 T CA 1.160 63.253 62.100 -0.012 0.000 1.141 279 T CB -0.146 68.709 68.868 -0.021 0.000 0.868 279 T HN 0.440 nan 8.240 nan 0.000 0.444 280 A N 1.706 124.530 122.820 0.006 0.000 1.865 280 A HA -0.081 4.207 4.320 -0.053 0.000 0.217 280 A C 2.242 179.843 177.584 0.029 0.000 1.191 280 A CA 1.621 53.670 52.037 0.020 0.000 0.623 280 A CB -0.942 18.070 19.000 0.019 0.000 0.826 280 A HN 0.429 nan 8.150 nan 0.000 0.444 281 L N -0.857 120.376 121.223 0.016 0.000 2.042 281 L HA -0.127 4.181 4.340 -0.053 0.000 0.210 281 L C 2.216 179.055 176.870 -0.052 0.000 1.076 281 L CA 2.167 57.007 54.840 -0.001 0.000 0.749 281 L CB -0.724 41.329 42.059 -0.010 0.000 0.893 281 L HN 0.325 nan 8.230 nan 0.000 0.432 282 L N -0.178 121.015 121.223 -0.050 0.000 2.046 282 L HA -0.140 4.168 4.340 -0.053 0.000 0.208 282 L C 2.645 179.464 176.870 -0.086 0.000 1.077 282 L CA 1.697 56.492 54.840 -0.075 0.000 0.747 282 L CB -0.552 41.484 42.059 -0.037 0.000 0.896 282 L HN 0.256 nan 8.230 nan 0.000 0.432 283 R N -0.592 119.878 120.500 -0.049 0.000 2.280 283 R HA 0.046 4.354 4.340 -0.053 0.000 0.207 283 R C 0.463 176.730 176.300 -0.055 0.000 1.043 283 R CA 0.606 56.684 56.100 -0.037 0.000 1.006 283 R CB -0.169 30.127 30.300 -0.006 0.000 0.885 283 R HN 0.456 nan 8.270 nan 0.000 0.467 284 N N 0.229 118.885 118.700 -0.073 0.000 2.351 284 N HA 0.101 4.809 4.740 -0.053 0.000 0.254 284 N C 0.950 176.310 175.510 -0.250 0.000 1.241 284 N CA 0.019 53.001 53.050 -0.114 0.000 0.883 284 N CB 0.865 39.385 38.487 0.056 0.000 1.202 284 N HN 0.138 nan 8.380 nan 0.000 0.512 285 L N 0.095 121.127 121.223 -0.318 0.000 2.027 285 L HA -0.037 4.271 4.340 -0.053 0.000 0.206 285 L C 2.511 179.063 176.870 -0.531 0.000 1.074 285 L CA 1.533 56.094 54.840 -0.465 0.000 0.745 285 L CB -0.570 41.053 42.059 -0.726 0.000 0.898 285 L HN 0.211 nan 8.230 nan 0.000 0.433 286 G N 0.297 108.666 108.800 -0.718 0.000 2.446 286 G HA2 -0.353 3.576 3.960 -0.053 0.000 0.217 286 G HA3 -0.353 3.576 3.960 -0.053 0.000 0.217 286 G C 1.636 175.946 174.900 -0.983 0.000 1.168 286 G CA 1.210 45.320 45.100 -1.649 0.000 0.771 286 G HN 0.312 nan 8.290 nan 0.000 0.551 287 K N -0.134 119.930 120.400 -0.560 0.000 2.057 287 K HA 0.087 4.375 4.320 -0.053 0.000 0.206 287 K C 2.497 178.834 176.600 -0.438 0.000 1.050 287 K CA 1.174 57.236 56.287 -0.374 0.000 0.935 287 K CB -0.286 31.979 32.500 -0.392 0.000 0.715 287 K HN 0.304 nan 8.250 nan 0.000 0.439 288 M N 0.334 119.644 119.600 -0.483 0.000 2.296 288 M HA -0.110 4.338 4.480 -0.053 0.000 0.265 288 M C 1.707 177.874 176.300 -0.221 0.000 1.064 288 M CA 1.569 56.626 55.300 -0.406 0.000 1.109 288 M CB -0.075 32.346 32.600 -0.299 0.000 1.396 288 M HN 0.236 nan 8.290 nan 0.000 0.430 289 T N 0.577 115.025 114.554 -0.178 0.000 2.812 289 T HA -0.012 4.306 4.350 -0.053 0.000 0.264 289 T C 1.922 176.632 174.700 0.016 0.000 1.042 289 T CA 1.382 63.459 62.100 -0.039 0.000 1.140 289 T CB -0.250 68.641 68.868 0.038 0.000 0.870 289 T HN 0.472 nan 8.240 nan 0.000 0.445 290 A N 1.870 124.713 122.820 0.037 0.000 1.933 290 A HA -0.124 4.165 4.320 -0.053 0.000 0.218 290 A C 1.702 179.291 177.584 0.008 0.000 1.175 290 A CA 1.730 53.828 52.037 0.102 0.000 0.628 290 A CB -0.626 18.482 19.000 0.179 0.000 0.814 290 A HN 0.444 nan 8.150 nan 0.000 0.444 291 D N -0.835 119.515 120.400 -0.082 0.000 2.319 291 D HA 0.265 4.873 4.640 -0.053 0.000 0.230 291 D C 0.684 176.950 176.300 -0.057 0.000 1.094 291 D CA 0.734 54.678 54.000 -0.095 0.000 0.856 291 D CB 0.119 40.790 40.800 -0.214 0.000 0.915 291 D HN 0.194 nan 8.370 nan 0.000 0.517 292 S N -1.187 114.494 115.700 -0.032 0.000 3.270 292 S HA -0.235 4.203 4.470 -0.053 0.000 0.293 292 S C 1.476 176.068 174.600 -0.014 0.000 1.278 292 S CA 0.668 58.863 58.200 -0.009 0.000 1.038 292 S CB -1.407 61.796 63.200 0.005 0.000 1.218 292 S HN 0.457 nan 8.310 nan 0.000 0.659 293 V N -0.411 119.477 119.914 -0.043 0.000 2.871 293 V HA 0.256 4.344 4.120 -0.053 0.000 0.256 293 V C 0.744 176.831 176.094 -0.012 0.000 1.082 293 V CA 1.709 63.998 62.300 -0.018 0.000 1.105 293 V CB -0.087 31.719 31.823 -0.028 0.000 0.713 293 V HN 0.542 nan 8.190 nan 0.000 0.473 294 L N 2.067 123.273 121.223 -0.029 0.000 2.935 294 L HA 0.636 4.945 4.340 -0.053 0.000 0.243 294 L C 0.633 177.509 176.870 0.010 0.000 1.313 294 L CA -0.109 54.723 54.840 -0.014 0.000 0.969 294 L CB 0.314 42.351 42.059 -0.037 0.000 1.320 294 L HN 0.363 nan 8.230 nan 0.000 0.511 295 A N 1.946 124.774 122.820 0.013 0.000 2.445 295 A HA 0.443 4.732 4.320 -0.053 0.000 0.242 295 A C -2.116 175.483 177.584 0.026 0.000 1.075 295 A CA -0.971 51.078 52.037 0.021 0.000 0.777 295 A CB -0.312 18.699 19.000 0.018 0.000 1.013 295 A HN 0.201 nan 8.150 nan 0.000 0.493 296 P HA 0.152 nan 4.420 nan 0.000 0.264 296 P C 0.648 177.962 177.300 0.024 0.000 1.183 296 P CA 1.598 64.717 63.100 0.032 0.000 0.763 296 P CB 1.011 32.730 31.700 0.032 0.000 0.807 297 A N 2.006 124.840 122.820 0.023 0.000 4.152 297 A HA -0.227 4.061 4.320 -0.053 0.000 0.256 297 A C 0.961 178.555 177.584 0.016 0.000 0.844 297 A CA 1.421 53.469 52.037 0.018 0.000 1.324 297 A CB -3.062 15.948 19.000 0.016 0.000 1.032 297 A HN 0.843 nan 8.150 nan 0.000 0.773 298 S N 0.212 115.922 115.700 0.016 0.000 2.549 298 S HA 0.346 4.784 4.470 -0.053 0.000 0.278 298 S C 1.084 175.692 174.600 0.012 0.000 1.344 298 S CA 0.752 58.960 58.200 0.014 0.000 1.025 298 S CB 1.127 64.336 63.200 0.015 0.000 0.851 298 S HN 1.463 nan 8.310 nan 0.000 0.530 299 S N 1.213 116.920 115.700 0.012 0.000 2.355 299 S HA -0.111 4.327 4.470 -0.053 0.000 0.222 299 S C 2.028 176.634 174.600 0.009 0.000 1.031 299 S CA 1.184 59.390 58.200 0.010 0.000 0.993 299 S CB -0.740 62.466 63.200 0.010 0.000 0.859 299 S HN 0.844 nan 8.310 nan 0.000 0.453 300 E N 1.224 121.430 120.200 0.011 0.000 2.097 300 E HA -0.115 4.203 4.350 -0.053 0.000 0.196 300 E C 2.189 178.790 176.600 0.003 0.000 1.000 300 E CA 1.106 57.512 56.400 0.010 0.000 0.804 300 E CB -1.215 28.495 29.700 0.016 0.000 0.740 300 E HN 0.451 nan 8.360 nan 0.000 0.454 301 V N 1.693 121.609 119.914 0.003 0.000 2.343 301 V HA -0.236 3.852 4.120 -0.053 0.000 0.247 301 V C 2.730 178.823 176.094 -0.002 0.000 1.051 301 V CA 1.934 64.233 62.300 -0.002 0.000 1.036 301 V CB -0.685 31.144 31.823 0.010 0.000 0.654 301 V HN 0.343 nan 8.190 nan 0.000 0.451 302 S N -0.817 114.885 115.700 0.004 0.000 2.370 302 S HA -0.253 4.185 4.470 -0.053 0.000 0.226 302 S C 2.328 176.928 174.600 0.000 0.000 1.033 302 S CA 2.209 60.412 58.200 0.004 0.000 1.011 302 S CB -0.385 62.819 63.200 0.006 0.000 0.852 302 S HN 0.585 nan 8.310 nan 0.000 0.457 303 S N -0.070 115.630 115.700 0.000 0.000 2.348 303 S HA -0.084 4.354 4.470 -0.053 0.000 0.221 303 S C 1.853 176.449 174.600 -0.007 0.000 1.033 303 S CA 1.538 59.737 58.200 -0.001 0.000 1.010 303 S CB -0.698 62.504 63.200 0.003 0.000 0.891 303 S HN 0.409 nan 8.310 nan 0.000 0.442 304 V N 1.425 121.330 119.914 -0.014 0.000 2.231 304 V HA -0.311 3.777 4.120 -0.053 0.000 0.250 304 V C 2.662 178.739 176.094 -0.029 0.000 1.058 304 V CA 2.241 64.524 62.300 -0.029 0.000 1.022 304 V CB -1.118 30.674 31.823 -0.053 0.000 0.640 304 V HN 0.701 nan 8.190 nan 0.000 0.445 305 C N -0.636 118.649 119.300 -0.023 0.000 2.401 305 C HA -0.201 4.227 4.460 -0.053 0.000 0.276 305 C C 2.722 177.708 174.990 -0.006 0.000 1.233 305 C CA 1.374 60.383 59.018 -0.015 0.000 1.753 305 C CB -1.065 26.672 27.740 -0.004 0.000 2.029 305 C HN 0.662 nan 8.230 nan 0.000 0.478 306 E N 0.088 120.286 120.200 -0.004 0.000 2.204 306 E HA -0.122 4.197 4.350 -0.053 0.000 0.194 306 E C 2.414 179.013 176.600 -0.001 0.000 0.989 306 E CA 0.887 57.287 56.400 0.000 0.000 0.824 306 E CB 0.042 29.742 29.700 0.001 0.000 0.756 306 E HN 0.564 nan 8.360 nan 0.000 0.477 307 R N -0.367 120.129 120.500 -0.005 0.000 2.066 307 R HA 0.042 4.350 4.340 -0.053 0.000 0.224 307 R C 2.388 178.684 176.300 -0.006 0.000 1.122 307 R CA 0.769 56.866 56.100 -0.005 0.000 0.974 307 R CB -0.235 30.061 30.300 -0.007 0.000 0.871 307 R HN 0.196 nan 8.270 nan 0.000 0.435 308 L N 0.926 122.141 121.223 -0.012 0.000 2.261 308 L HA -0.114 4.194 4.340 -0.053 0.000 0.216 308 L C 1.872 178.743 176.870 0.002 0.000 1.114 308 L CA 1.396 56.229 54.840 -0.012 0.000 0.777 308 L CB -0.451 41.592 42.059 -0.026 0.000 0.910 308 L HN 0.350 nan 8.230 nan 0.000 0.440 309 T N -4.867 109.691 114.554 0.007 0.000 3.176 309 T HA 0.072 4.390 4.350 -0.053 0.000 0.263 309 T C 0.628 175.337 174.700 0.015 0.000 1.021 309 T CA -0.430 61.681 62.100 0.018 0.000 0.905 309 T CB -0.340 68.543 68.868 0.025 0.000 1.057 309 T HN 0.041 nan 8.240 nan 0.000 0.558 310 N N 2.267 120.972 118.700 0.008 0.000 2.469 310 N HA 0.104 4.812 4.740 -0.053 0.000 0.239 310 N C 0.872 176.384 175.510 0.003 0.000 1.053 310 N CA -0.067 52.986 53.050 0.005 0.000 0.937 310 N CB 1.133 39.621 38.487 0.002 0.000 1.163 310 N HN 0.451 nan 8.380 nan 0.000 0.509 311 E N 2.791 122.995 120.200 0.006 0.000 2.118 311 E HA -0.204 4.114 4.350 -0.053 0.000 0.195 311 E C 0.657 177.254 176.600 -0.005 0.000 0.992 311 E CA 1.125 57.526 56.400 0.001 0.000 0.804 311 E CB 0.413 30.116 29.700 0.006 0.000 0.741 311 E HN 0.383 nan 8.360 nan 0.000 0.458 312 K N 0.429 120.827 120.400 -0.003 0.000 2.057 312 K HA -0.101 4.188 4.320 -0.053 0.000 0.207 312 K C 2.226 178.823 176.600 -0.005 0.000 1.049 312 K CA 0.839 57.123 56.287 -0.005 0.000 0.931 312 K CB -0.558 31.939 32.500 -0.004 0.000 0.714 312 K HN 0.274 nan 8.250 nan 0.000 0.440 313 L N 0.320 121.541 121.223 -0.003 0.000 2.109 313 L HA -0.071 4.238 4.340 -0.053 0.000 0.207 313 L C 2.407 179.277 176.870 -0.001 0.000 1.086 313 L CA 0.662 55.501 54.840 -0.001 0.000 0.760 313 L CB -0.519 41.540 42.059 -0.001 0.000 0.910 313 L HN 0.057 nan 8.230 nan 0.000 0.437 314 L N -0.233 120.987 121.223 -0.004 0.000 2.042 314 L HA -0.219 4.089 4.340 -0.053 0.000 0.210 314 L C 2.853 179.717 176.870 -0.010 0.000 1.076 314 L CA 1.198 56.033 54.840 -0.008 0.000 0.749 314 L CB -0.477 41.570 42.059 -0.020 0.000 0.893 314 L HN 0.223 nan 8.230 nan 0.000 0.432 315 K N 0.350 120.741 120.400 -0.014 0.000 2.025 315 K HA -0.198 4.091 4.320 -0.053 0.000 0.207 315 K C 2.103 178.700 176.600 -0.005 0.000 1.049 315 K CA 1.332 57.610 56.287 -0.016 0.000 0.933 315 K CB -0.149 32.341 32.500 -0.017 0.000 0.714 315 K HN 0.204 nan 8.250 nan 0.000 0.438 316 K N 0.180 120.579 120.400 -0.002 0.000 2.097 316 K HA -0.057 4.231 4.320 -0.053 0.000 0.205 316 K C 1.647 178.254 176.600 0.012 0.000 1.050 316 K CA 1.229 57.518 56.287 0.002 0.000 0.938 316 K CB 0.002 32.502 32.500 0.000 0.000 0.718 316 K HN 0.072 nan 8.250 nan 0.000 0.442 317 A N 0.735 123.564 122.820 0.016 0.000 2.238 317 A HA 0.071 4.359 4.320 -0.053 0.000 0.208 317 A C 0.150 177.762 177.584 0.045 0.000 1.177 317 A CA 0.202 52.256 52.037 0.029 0.000 0.804 317 A CB -0.150 18.865 19.000 0.025 0.000 0.823 317 A HN 0.444 nan 8.150 nan 0.000 0.482 318 R N -0.974 119.550 120.500 0.040 0.000 3.423 318 R HA -0.121 4.187 4.340 -0.053 0.000 0.271 318 R C -0.817 175.544 176.300 0.101 0.000 1.093 318 R CA 0.506 56.642 56.100 0.060 0.000 0.730 318 R CB -1.983 28.364 30.300 0.079 0.000 1.190 318 R HN 0.373 nan 8.270 nan 0.000 0.437 319 I N 1.623 122.236 120.570 0.071 0.000 2.421 319 I HA 0.010 4.149 4.170 -0.053 0.000 0.291 319 I C 1.191 177.362 176.117 0.090 0.000 1.089 319 I CA 0.103 61.470 61.300 0.112 0.000 1.354 319 I CB 0.001 38.031 38.000 0.050 0.000 1.413 319 I HN 0.122 nan 8.210 nan 0.000 0.513 320 H N 9.899 129.044 119.070 0.125 0.000 2.629 320 H HA 0.219 4.743 4.556 -0.054 0.000 0.357 320 H C -1.427 173.848 175.328 -0.089 0.000 1.121 320 H CA -0.964 55.058 56.048 -0.043 0.000 1.406 320 H CB 1.323 31.046 29.762 -0.066 0.000 1.456 320 H HN 0.320 nan 8.280 nan 0.000 0.579 321 P HA -0.207 nan 4.420 nan 0.000 0.218 321 P C 1.467 178.913 177.300 0.244 0.000 1.149 321 P CA 1.141 63.885 63.100 -0.594 0.000 0.817 321 P CB -0.074 30.620 31.700 -1.676 0.000 0.785 322 F N 1.485 121.724 119.950 0.481 0.000 2.095 322 F HA -0.220 4.273 4.527 -0.056 0.000 0.298 322 F C 2.407 178.301 175.800 0.158 0.000 1.104 322 F CA 1.702 59.892 58.000 0.315 0.000 1.232 322 F CB -0.966 37.999 39.000 -0.059 0.000 0.987 322 F HN -0.104 nan 8.300 nan 0.000 0.475 323 H N 0.609 119.846 119.070 0.278 0.000 2.422 323 H HA -0.139 4.385 4.556 -0.052 0.000 0.298 323 H C 2.441 177.762 175.328 -0.012 0.000 1.098 323 H CA 1.724 57.806 56.048 0.056 0.000 1.315 323 H CB -0.447 29.423 29.762 0.180 0.000 1.382 323 H HN 0.301 nan 8.280 nan 0.000 0.523 324 I N 0.459 121.135 120.570 0.176 0.000 2.163 324 I HA -0.208 3.930 4.170 -0.053 0.000 0.240 324 I C 2.766 178.955 176.117 0.120 0.000 1.081 324 I CA 0.653 62.042 61.300 0.147 0.000 1.353 324 I CB -1.179 36.941 38.000 0.200 0.000 1.054 324 I HN 0.200 nan 8.210 nan 0.000 0.407 325 L N 0.536 121.864 121.223 0.175 0.000 2.012 325 L HA -0.231 4.077 4.340 -0.053 0.000 0.210 325 L C 2.671 179.497 176.870 -0.074 0.000 1.073 325 L CA 1.438 56.305 54.840 0.045 0.000 0.748 325 L CB -0.123 42.017 42.059 0.137 0.000 0.891 325 L HN -0.002 nan 8.230 nan 0.000 0.431 326 V N 0.053 119.831 119.914 -0.226 0.000 2.332 326 V HA -0.326 3.762 4.120 -0.053 0.000 0.248 326 V C 2.742 178.805 176.094 -0.051 0.000 1.055 326 V CA 1.841 64.010 62.300 -0.218 0.000 1.038 326 V CB -1.024 30.571 31.823 -0.380 0.000 0.651 326 V HN 0.600 nan 8.190 nan 0.000 0.450 327 A N -0.548 122.263 122.820 -0.015 0.000 1.898 327 A HA -0.163 4.125 4.320 -0.053 0.000 0.216 327 A C 2.218 179.862 177.584 0.099 0.000 1.181 327 A CA 1.963 54.023 52.037 0.039 0.000 0.620 327 A CB -0.502 18.501 19.000 0.005 0.000 0.819 327 A HN 0.494 nan 8.150 nan 0.000 0.442 328 L N -0.791 120.477 121.223 0.075 0.000 2.017 328 L HA -0.168 4.140 4.340 -0.053 0.000 0.208 328 L C 2.536 179.487 176.870 0.135 0.000 1.073 328 L CA 2.037 56.948 54.840 0.119 0.000 0.745 328 L CB -0.309 41.786 42.059 0.061 0.000 0.894 328 L HN 0.336 nan 8.230 nan 0.000 0.432 329 E N -0.427 119.812 120.200 0.065 0.000 2.058 329 E HA -0.217 4.101 4.350 -0.053 0.000 0.194 329 E C 2.101 178.737 176.600 0.058 0.000 0.997 329 E CA 2.112 58.534 56.400 0.037 0.000 0.801 329 E CB -0.310 29.388 29.700 -0.003 0.000 0.746 329 E HN 0.532 nan 8.360 nan 0.000 0.450 330 T N 0.213 114.831 114.554 0.107 0.000 2.857 330 T HA -0.138 4.181 4.350 -0.053 0.000 0.266 330 T C 1.645 176.542 174.700 0.329 0.000 1.048 330 T CA 1.086 63.288 62.100 0.169 0.000 1.139 330 T CB -0.427 68.562 68.868 0.201 0.000 0.874 330 T HN 0.221 nan 8.240 nan 0.000 0.455 331 Y N 3.104 123.546 120.300 0.235 0.000 2.145 331 Y HA -0.172 4.345 4.550 -0.054 0.000 0.286 331 Y C 2.249 178.382 175.900 0.388 0.000 1.145 331 Y CA 1.559 59.872 58.100 0.355 0.000 1.148 331 Y CB -0.255 38.271 38.460 0.109 0.000 0.981 331 Y HN 0.238 nan 8.280 nan 0.000 0.507 332 K N -0.169 120.302 120.400 0.119 0.000 2.362 332 K HA -0.092 4.196 4.320 -0.053 0.000 0.200 332 K C 1.761 178.264 176.600 -0.162 0.000 1.046 332 K CA 1.461 57.734 56.287 -0.022 0.000 0.952 332 K CB -0.233 32.331 32.500 0.106 0.000 0.753 332 K HN 0.129 nan 8.250 nan 0.000 0.466 333 K N 0.330 120.609 120.400 -0.202 0.000 2.555 333 K HA -0.014 4.274 4.320 -0.053 0.000 0.193 333 K C 1.009 177.171 176.600 -0.730 0.000 1.032 333 K CA 0.637 56.658 56.287 -0.443 0.000 1.004 333 K CB -0.195 32.025 32.500 -0.466 0.000 0.804 333 K HN 0.569 nan 8.250 nan 0.000 0.496 334 G N 1.718 110.120 108.800 -0.663 0.000 2.382 334 G HA2 -0.332 3.597 3.960 -0.053 0.000 0.259 334 G HA3 -0.332 3.597 3.960 -0.053 0.000 0.259 334 G C 0.044 173.917 174.900 -1.712 0.000 1.009 334 G CA 1.519 45.979 45.100 -1.068 0.000 0.625 334 G HN 0.660 nan 8.290 nan 0.000 0.541 335 H N -1.670 116.725 119.070 -1.126 0.000 2.985 335 H HA 0.722 5.246 4.556 -0.054 0.000 0.360 335 H C 0.454 175.500 175.328 -0.471 0.000 1.221 335 H CA -0.406 55.039 56.048 -1.004 0.000 1.121 335 H CB 0.878 30.329 29.762 -0.518 0.000 1.854 335 H HN 0.627 nan 8.280 nan 0.000 0.551 336 G N -0.498 108.331 108.800 0.048 0.000 2.588 336 G HA2 0.083 4.012 3.960 -0.053 0.000 0.281 336 G HA3 0.083 4.012 3.960 -0.053 0.000 0.281 336 G C 0.240 175.262 174.900 0.204 0.000 1.236 336 G CA -0.293 44.947 45.100 0.234 0.000 0.969 336 G HN 0.910 nan 8.290 nan 0.000 0.504 337 N N -1.279 117.512 118.700 0.151 0.000 2.333 337 N HA 0.014 4.723 4.740 -0.053 0.000 0.183 337 N C 2.088 177.634 175.510 0.060 0.000 1.030 337 N CA 0.023 53.132 53.050 0.099 0.000 0.867 337 N CB 0.199 38.736 38.487 0.085 0.000 1.027 337 N HN 0.404 nan 8.380 nan 0.000 0.435 338 R N 0.053 120.596 120.500 0.072 0.000 2.225 338 R HA 0.194 4.502 4.340 -0.053 0.000 0.194 338 R C 1.128 177.462 176.300 0.056 0.000 0.957 338 R CA 0.159 56.291 56.100 0.053 0.000 1.042 338 R CB 0.303 30.637 30.300 0.058 0.000 1.004 338 R HN 0.118 nan 8.270 nan 0.000 0.509 339 G N 0.967 109.820 108.800 0.089 0.000 2.647 339 G HA2 -0.049 3.879 3.960 -0.053 0.000 0.271 339 G HA3 -0.049 3.879 3.960 -0.053 0.000 0.271 339 G C 0.003 174.940 174.900 0.062 0.000 1.300 339 G CA -0.107 45.054 45.100 0.101 0.000 0.997 339 G HN 0.170 nan 8.290 nan 0.000 0.533 340 K N -0.856 119.585 120.400 0.067 0.000 2.932 340 K HA 0.261 4.549 4.320 -0.053 0.000 0.194 340 K C -1.066 175.553 176.600 0.033 0.000 1.132 340 K CA -0.245 56.055 56.287 0.021 0.000 1.071 340 K CB 0.546 33.053 32.500 0.012 0.000 0.727 340 K HN 0.098 nan 8.250 nan 0.000 0.441 341 L N 0.648 121.922 121.223 0.084 0.000 2.323 341 L HA 0.550 4.859 4.340 -0.053 0.000 0.265 341 L C -0.179 176.703 176.870 0.020 0.000 1.012 341 L CA -0.683 54.224 54.840 0.111 0.000 0.820 341 L CB 1.429 43.625 42.059 0.228 0.000 1.334 341 L HN -0.038 nan 8.230 nan 0.000 0.427 342 R N 0.739 121.238 120.500 -0.002 0.000 2.803 342 R HA 0.741 5.049 4.340 -0.053 0.000 0.276 342 R C -1.790 174.502 176.300 -0.014 0.000 0.978 342 R CA -0.722 55.257 56.100 -0.201 0.000 0.939 342 R CB 2.416 32.625 30.300 -0.151 0.000 1.179 342 R HN 0.761 nan 8.270 nan 0.000 0.472 343 W N 0.651 121.925 121.300 -0.043 0.000 3.296 343 W HA 0.490 5.118 4.660 -0.054 0.000 0.314 343 W C -1.482 174.968 176.519 -0.116 0.000 1.238 343 W CA -1.017 56.286 57.345 -0.070 0.000 1.193 343 W CB 0.282 29.704 29.460 -0.062 0.000 1.383 343 W HN 0.337 nan 8.180 nan 0.000 0.545 344 I N 4.977 125.622 120.570 0.125 0.000 2.347 344 I HA 0.140 4.278 4.170 -0.053 0.000 0.294 344 I C -1.465 174.706 176.117 0.091 0.000 1.090 344 I CA -1.733 59.588 61.300 0.035 0.000 1.314 344 I CB 0.413 38.432 38.000 0.032 0.000 1.423 344 I HN 0.045 nan 8.210 nan 0.000 0.503 345 P HA -0.100 nan 4.420 nan 0.000 0.260 345 P C -0.440 176.863 177.300 0.005 0.000 1.185 345 P CA 0.147 63.155 63.100 -0.154 0.000 0.763 345 P CB 0.638 32.189 31.700 -0.249 0.000 0.776 346 D N 3.033 123.520 120.400 0.145 0.000 2.348 346 D HA 0.025 4.633 4.640 -0.053 0.000 0.253 346 D C 0.798 177.206 176.300 0.181 0.000 1.161 346 D CA 0.071 54.178 54.000 0.178 0.000 0.876 346 D CB 0.841 41.767 40.800 0.210 0.000 1.160 346 D HN 0.232 nan 8.370 nan 0.000 0.459 347 T N 2.101 116.719 114.554 0.106 0.000 2.962 347 T HA -0.112 4.207 4.350 -0.053 0.000 0.270 347 T C 1.891 176.638 174.700 0.078 0.000 1.088 347 T CA 0.609 62.761 62.100 0.087 0.000 1.127 347 T CB 0.129 69.028 68.868 0.052 0.000 0.883 347 T HN 0.271 nan 8.240 nan 0.000 0.493 348 S N 0.556 116.301 115.700 0.075 0.000 2.387 348 S HA -0.012 4.427 4.470 -0.053 0.000 0.226 348 S C 1.943 176.575 174.600 0.052 0.000 1.026 348 S CA 0.491 58.722 58.200 0.051 0.000 0.972 348 S CB -0.213 63.011 63.200 0.039 0.000 0.814 348 S HN 0.298 nan 8.310 nan 0.000 0.477 349 I N 1.320 121.939 120.570 0.080 0.000 2.252 349 I HA -0.057 4.081 4.170 -0.053 0.000 0.245 349 I C 2.279 178.440 176.117 0.073 0.000 1.102 349 I CA 0.960 62.281 61.300 0.036 0.000 1.385 349 I CB -1.646 36.344 38.000 -0.017 0.000 1.064 349 I HN 0.146 nan 8.210 nan 0.000 0.414 350 V N 1.037 121.057 119.914 0.177 0.000 2.490 350 V HA -0.226 3.862 4.120 -0.053 0.000 0.250 350 V C 2.510 178.640 176.094 0.060 0.000 1.061 350 V CA 1.800 64.197 62.300 0.161 0.000 1.064 350 V CB -0.682 31.242 31.823 0.167 0.000 0.670 350 V HN 0.488 nan 8.190 nan 0.000 0.461 351 E N 0.089 120.314 120.200 0.042 0.000 2.299 351 E HA -0.068 4.251 4.350 -0.053 0.000 0.193 351 E C 2.110 178.730 176.600 0.033 0.000 0.998 351 E CA 0.984 57.397 56.400 0.021 0.000 0.851 351 E CB 0.136 29.846 29.700 0.016 0.000 0.795 351 E HN 0.567 nan 8.360 nan 0.000 0.492 352 A N 0.906 123.743 122.820 0.029 0.000 1.935 352 A HA 0.043 4.332 4.320 -0.053 0.000 0.214 352 A C 2.172 179.773 177.584 0.028 0.000 1.178 352 A CA 0.248 52.299 52.037 0.024 0.000 0.640 352 A CB -0.332 18.669 19.000 0.002 0.000 0.825 352 A HN 0.220 nan 8.150 nan 0.000 0.447 353 L N -0.064 121.170 121.223 0.019 0.000 2.005 353 L HA -0.183 4.125 4.340 -0.053 0.000 0.207 353 L C 2.444 179.352 176.870 0.062 0.000 1.072 353 L CA 1.938 56.794 54.840 0.026 0.000 0.744 353 L CB -0.651 41.417 42.059 0.014 0.000 0.895 353 L HN 0.586 nan 8.230 nan 0.000 0.433 354 D N -0.438 119.991 120.400 0.048 0.000 2.265 354 D HA -0.244 4.364 4.640 -0.053 0.000 0.208 354 D C 1.700 178.077 176.300 0.128 0.000 0.977 354 D CA 1.507 55.531 54.000 0.039 0.000 0.871 354 D CB -0.106 40.695 40.800 0.001 0.000 0.925 354 D HN 0.307 nan 8.370 nan 0.000 0.485 355 N N -1.312 117.468 118.700 0.134 0.000 2.336 355 N HA 0.061 4.770 4.740 -0.053 0.000 0.177 355 N C 1.771 177.391 175.510 0.183 0.000 1.018 355 N CA 0.633 53.798 53.050 0.191 0.000 0.878 355 N CB -0.023 38.534 38.487 0.115 0.000 0.997 355 N HN 0.199 nan 8.380 nan 0.000 0.433 356 A N 0.416 123.303 122.820 0.112 0.000 1.972 356 A HA -0.147 4.141 4.320 -0.053 0.000 0.219 356 A C 1.838 179.456 177.584 0.056 0.000 1.169 356 A CA 0.797 52.877 52.037 0.072 0.000 0.635 356 A CB -0.948 18.075 19.000 0.038 0.000 0.810 356 A HN 0.518 nan 8.150 nan 0.000 0.446 357 F N -0.295 119.595 119.950 -0.100 0.000 2.091 357 F HA -0.266 4.231 4.527 -0.050 0.000 0.299 357 F C 1.938 177.641 175.800 -0.162 0.000 1.103 357 F CA 2.016 59.888 58.000 -0.214 0.000 1.228 357 F CB -0.358 38.407 39.000 -0.391 0.000 0.984 357 F HN 0.332 nan 8.300 nan 0.000 0.477 358 Y N 0.220 120.644 120.300 0.206 0.000 2.457 358 Y HA -0.004 4.512 4.550 -0.056 0.000 0.292 358 Y C 2.094 178.038 175.900 0.073 0.000 1.125 358 Y CA 0.978 59.162 58.100 0.139 0.000 1.254 358 Y CB -0.586 37.960 38.460 0.143 0.000 1.012 358 Y HN 0.056 nan 8.280 nan 0.000 0.555 359 K N -0.454 120.029 120.400 0.139 0.000 2.361 359 K HA 0.002 4.291 4.320 -0.053 0.000 0.196 359 K C 1.825 178.412 176.600 -0.021 0.000 1.039 359 K CA 0.953 57.280 56.287 0.067 0.000 1.001 359 K CB 0.049 32.580 32.500 0.052 0.000 0.795 359 K HN 0.238 nan 8.250 nan 0.000 0.495 360 S N 0.485 116.100 115.700 -0.142 0.000 2.489 360 S HA 0.024 4.462 4.470 -0.053 0.000 0.228 360 S C 0.576 174.952 174.600 -0.374 0.000 0.995 360 S CA 0.178 58.207 58.200 -0.286 0.000 0.934 360 S CB -0.302 62.640 63.200 -0.429 0.000 0.771 360 S HN 0.017 nan 8.310 nan 0.000 0.522 361 F N 2.269 122.051 119.950 -0.280 0.000 2.382 361 F HA 0.374 4.869 4.527 -0.054 0.000 0.331 361 F C 0.853 176.564 175.800 -0.148 0.000 1.121 361 F CA -0.993 56.856 58.000 -0.251 0.000 1.183 361 F CB 0.542 39.386 39.000 -0.260 0.000 1.207 361 F HN -0.219 nan 8.300 nan 0.000 0.555 362 K N 3.382 123.823 120.400 0.069 0.000 2.336 362 K HA 0.201 4.489 4.320 -0.053 0.000 0.290 362 K C -0.676 175.947 176.600 0.038 0.000 1.067 362 K CA -0.013 56.288 56.287 0.022 0.000 0.962 362 K CB -0.010 32.486 32.500 -0.007 0.000 1.008 362 K HN 0.407 nan 8.250 nan 0.000 0.467 363 L N 3.505 124.746 121.223 0.029 0.000 2.417 363 L HA 0.321 4.629 4.340 -0.053 0.000 0.268 363 L C 0.344 177.215 176.870 0.002 0.000 1.158 363 L CA -0.671 54.178 54.840 0.015 0.000 0.819 363 L CB 0.452 42.522 42.059 0.017 0.000 1.112 363 L HN 0.339 nan 8.230 nan 0.000 0.458 364 V N -1.726 118.183 119.914 -0.008 0.000 3.102 364 V HA 0.518 4.606 4.120 -0.053 0.000 0.312 364 V C -0.410 175.681 176.094 -0.005 0.000 1.135 364 V CA -1.102 61.196 62.300 -0.003 0.000 1.022 364 V CB 1.995 33.819 31.823 0.002 0.000 1.056 364 V HN 0.647 nan 8.190 nan 0.000 0.436 365 E N 3.082 123.285 120.200 0.005 0.000 2.360 365 E HA 0.307 4.626 4.350 -0.053 0.000 0.269 365 E C -2.402 174.208 176.600 0.016 0.000 1.022 365 E CA -1.387 55.018 56.400 0.008 0.000 0.887 365 E CB 0.845 30.553 29.700 0.014 0.000 0.990 365 E HN 0.687 nan 8.360 nan 0.000 0.426 366 P HA -0.023 nan 4.420 nan 0.000 0.272 366 P C 0.552 177.892 177.300 0.068 0.000 1.223 366 P CA 0.112 63.230 63.100 0.030 0.000 0.784 366 P CB 0.726 32.438 31.700 0.021 0.000 0.923 367 T N -2.906 111.723 114.554 0.124 0.000 3.023 367 T HA 0.258 4.576 4.350 -0.053 0.000 0.249 367 T C 1.387 176.166 174.700 0.133 0.000 1.050 367 T CA 0.853 63.034 62.100 0.135 0.000 1.088 367 T CB -0.705 68.277 68.868 0.190 0.000 0.946 367 T HN 0.638 nan 8.240 nan 0.000 0.480 368 G N 1.281 110.190 108.800 0.182 0.000 2.176 368 G HA2 -0.234 3.694 3.960 -0.053 0.000 0.253 368 G HA3 -0.234 3.694 3.960 -0.053 0.000 0.253 368 G C 0.175 175.174 174.900 0.165 0.000 0.979 368 G CA 0.192 45.383 45.100 0.152 0.000 0.641 368 G HN 0.656 nan 8.290 nan 0.000 0.530 369 K N 0.340 120.849 120.400 0.183 0.000 2.188 369 K HA 0.518 4.806 4.320 -0.053 0.000 0.246 369 K C 1.018 177.625 176.600 0.011 0.000 1.026 369 K CA -0.047 56.223 56.287 -0.029 0.000 0.871 369 K CB 0.105 32.395 32.500 -0.350 0.000 1.042 369 K HN 0.409 nan 8.250 nan 0.000 0.509 370 R N 0.931 121.353 120.500 -0.130 0.000 2.215 370 R HA 0.313 4.621 4.340 -0.053 0.000 0.336 370 R C -0.743 175.525 176.300 -0.054 0.000 0.996 370 R CA -0.283 55.836 56.100 0.032 0.000 0.847 370 R CB 0.331 30.668 30.300 0.061 0.000 1.127 370 R HN 0.261 nan 8.270 nan 0.000 0.465 371 F N 2.710 122.753 119.950 0.155 0.000 2.450 371 F HA 0.366 4.860 4.527 -0.055 0.000 0.332 371 F C 0.050 175.969 175.800 0.199 0.000 1.093 371 F CA -1.086 57.023 58.000 0.182 0.000 1.003 371 F CB 1.369 40.458 39.000 0.150 0.000 1.151 371 F HN 0.153 nan 8.300 nan 0.000 0.474 372 L N 5.511 126.965 121.223 0.385 0.000 2.319 372 L HA 0.530 4.838 4.340 -0.053 0.000 0.281 372 L C -1.468 175.520 176.870 0.196 0.000 1.005 372 L CA -0.489 54.473 54.840 0.204 0.000 0.828 372 L CB 1.052 43.050 42.059 -0.102 0.000 1.227 372 L HN 0.570 nan 8.230 nan 0.000 0.415 373 L N 5.481 126.834 121.223 0.217 0.000 2.276 373 L HA 0.616 4.924 4.340 -0.053 0.000 0.286 373 L C 0.185 177.193 176.870 0.230 0.000 1.024 373 L CA -0.442 54.562 54.840 0.274 0.000 0.826 373 L CB 1.526 43.756 42.059 0.286 0.000 1.211 373 L HN 0.707 nan 8.230 nan 0.000 0.422 374 A N 5.530 128.517 122.820 0.279 0.000 2.287 374 A HA 0.730 5.018 4.320 -0.053 0.000 0.317 374 A C -0.435 177.431 177.584 0.471 0.000 1.220 374 A CA -0.433 51.792 52.037 0.313 0.000 0.835 374 A CB 0.560 19.695 19.000 0.225 0.000 1.180 374 A HN 0.702 nan 8.150 nan 0.000 0.500 375 I N 2.608 123.352 120.570 0.289 0.000 2.304 375 I HA 0.132 4.270 4.170 -0.053 0.000 0.291 375 I C -0.161 175.817 176.117 -0.232 0.000 1.018 375 I CA -0.536 60.834 61.300 0.116 0.000 1.260 375 I CB 1.255 39.248 38.000 -0.013 0.000 1.390 375 I HN 0.597 nan 8.210 nan 0.000 0.475 376 D N 7.046 127.232 120.400 -0.357 0.000 2.363 376 D HA 0.050 4.658 4.640 -0.053 0.000 0.263 376 D C 0.605 176.630 176.300 -0.458 0.000 1.258 376 D CA 0.025 53.523 54.000 -0.837 0.000 0.907 376 D CB 1.250 41.810 40.800 -0.400 0.000 1.107 376 D HN 0.369 nan 8.370 nan 0.000 0.495 377 V N 1.607 121.235 119.914 -0.477 0.000 3.121 377 V HA 0.192 4.280 4.120 -0.053 0.000 0.344 377 V C 0.838 176.803 176.094 -0.215 0.000 1.390 377 V CA -0.433 61.711 62.300 -0.259 0.000 1.177 377 V CB -0.855 30.856 31.823 -0.187 0.000 1.163 377 V HN 0.439 nan 8.190 nan 0.000 0.484 378 S N 0.615 116.172 115.700 -0.239 0.000 2.596 378 S HA 0.616 5.054 4.470 -0.053 0.000 0.260 378 S C 1.726 176.199 174.600 -0.212 0.000 1.336 378 S CA 0.225 58.321 58.200 -0.174 0.000 0.993 378 S CB 1.456 64.579 63.200 -0.127 0.000 0.923 378 S HN 0.995 nan 8.310 nan 0.000 0.567 379 A N 1.917 124.608 122.820 -0.214 0.000 1.915 379 A HA -0.181 4.107 4.320 -0.053 0.000 0.220 379 A C 2.504 179.689 177.584 -0.664 0.000 1.198 379 A CA 2.699 54.546 52.037 -0.315 0.000 0.647 379 A CB -1.985 16.883 19.000 -0.220 0.000 0.825 379 A HN 1.440 nan 8.150 nan 0.000 0.456 380 S N -0.772 114.405 115.700 -0.872 0.000 2.400 380 S HA -0.152 4.286 4.470 -0.053 0.000 0.232 380 S C 1.605 175.878 174.600 -0.545 0.000 1.025 380 S CA 1.637 59.094 58.200 -1.237 0.000 0.993 380 S CB -0.513 62.357 63.200 -0.550 0.000 0.808 380 S HN 0.401 nan 8.310 nan 0.000 0.478 381 M N 1.826 121.236 119.600 -0.317 0.000 2.748 381 M HA 0.129 4.577 4.480 -0.053 0.000 0.241 381 M C 1.202 177.411 176.300 -0.151 0.000 1.080 381 M CA 0.374 55.567 55.300 -0.178 0.000 1.068 381 M CB -1.837 30.675 32.600 -0.146 0.000 1.536 381 M HN 0.423 nan 8.290 nan 0.000 0.540 382 N N 0.657 119.233 118.700 -0.206 0.000 2.446 382 N HA -0.043 4.665 4.740 -0.053 0.000 0.179 382 N C 0.391 175.872 175.510 -0.048 0.000 1.054 382 N CA -0.075 52.905 53.050 -0.117 0.000 0.905 382 N CB 0.306 38.719 38.487 -0.123 0.000 0.973 382 N HN 0.491 nan 8.380 nan 0.000 0.448 383 Q N 0.746 120.520 119.800 -0.044 0.000 2.304 383 Q HA -0.037 4.271 4.340 -0.053 0.000 0.301 383 Q C -0.508 175.500 176.000 0.013 0.000 1.063 383 Q CA 0.339 56.160 55.803 0.029 0.000 0.947 383 Q CB 0.555 29.319 28.738 0.042 0.000 1.201 383 Q HN 0.133 nan 8.270 nan 0.000 0.389 384 R N 1.412 121.930 120.500 0.030 0.000 2.441 384 R HA 0.306 4.614 4.340 -0.053 0.000 0.284 384 R C -0.515 175.809 176.300 0.040 0.000 1.070 384 R CA -0.341 55.782 56.100 0.038 0.000 1.047 384 R CB 1.079 31.407 30.300 0.046 0.000 1.016 384 R HN 0.580 nan 8.270 nan 0.000 0.477 385 V N 3.347 123.300 119.914 0.066 0.000 2.539 385 V HA 0.199 4.287 4.120 -0.053 0.000 0.292 385 V C 1.108 177.267 176.094 0.108 0.000 1.045 385 V CA -0.944 61.405 62.300 0.081 0.000 0.945 385 V CB 1.310 33.207 31.823 0.124 0.000 0.993 385 V HN 0.795 nan 8.190 nan 0.000 0.464 386 L N 2.514 123.763 121.223 0.045 0.000 3.905 386 L HA -0.283 4.025 4.340 -0.053 0.000 0.437 386 L C 1.473 178.380 176.870 0.061 0.000 1.152 386 L CA 0.761 55.575 54.840 -0.043 0.000 0.935 386 L CB -2.019 39.810 42.059 -0.383 0.000 1.841 386 L HN 1.411 nan 8.230 nan 0.000 0.998 387 G N -0.133 108.711 108.800 0.073 0.000 2.233 387 G HA2 -0.360 3.568 3.960 -0.053 0.000 0.270 387 G HA3 -0.360 3.568 3.960 -0.053 0.000 0.270 387 G C 0.601 175.575 174.900 0.123 0.000 1.011 387 G CA 1.014 46.164 45.100 0.083 0.000 0.762 387 G HN 0.926 nan 8.290 nan 0.000 0.511 388 S N -1.360 114.441 115.700 0.169 0.000 2.677 388 S HA 0.731 5.169 4.470 -0.053 0.000 0.290 388 S C 1.208 175.873 174.600 0.107 0.000 1.124 388 S CA -0.393 57.916 58.200 0.180 0.000 1.017 388 S CB 1.343 64.719 63.200 0.294 0.000 1.215 388 S HN 0.305 nan 8.310 nan 0.000 0.524 389 I N 0.198 120.813 120.570 0.074 0.000 3.875 389 I HA 0.268 4.407 4.170 -0.053 0.000 0.329 389 I C -0.490 175.648 176.117 0.035 0.000 1.295 389 I CA 0.135 61.463 61.300 0.047 0.000 1.129 389 I CB -0.138 37.883 38.000 0.034 0.000 1.008 389 I HN 0.301 nan 8.210 nan 0.000 0.413 390 L N 1.497 122.750 121.223 0.050 0.000 2.343 390 L HA 0.306 4.614 4.340 -0.053 0.000 0.275 390 L C -0.081 176.824 176.870 0.058 0.000 1.056 390 L CA -0.649 54.218 54.840 0.044 0.000 0.804 390 L CB 0.937 43.025 42.059 0.048 0.000 1.203 390 L HN 0.216 nan 8.230 nan 0.000 0.440 391 N N 1.296 120.019 118.700 0.038 0.000 2.518 391 N HA 0.438 5.146 4.740 -0.053 0.000 0.284 391 N C 0.436 175.966 175.510 0.033 0.000 1.230 391 N CA -0.319 52.745 53.050 0.024 0.000 0.941 391 N CB 1.051 39.535 38.487 -0.005 0.000 1.219 391 N HN 0.544 nan 8.380 nan 0.000 0.560 392 A N -0.042 122.782 122.820 0.007 0.000 1.933 392 A HA -0.155 4.133 4.320 -0.053 0.000 0.218 392 A C 2.189 179.793 177.584 0.032 0.000 1.175 392 A CA 1.921 53.970 52.037 0.019 0.000 0.628 392 A CB -1.306 17.676 19.000 -0.031 0.000 0.814 392 A HN 0.712 nan 8.150 nan 0.000 0.444 393 S N -0.561 115.131 115.700 -0.013 0.000 2.359 393 S HA -0.174 4.264 4.470 -0.053 0.000 0.222 393 S C 1.954 176.549 174.600 -0.009 0.000 1.038 393 S CA 1.905 60.086 58.200 -0.033 0.000 1.051 393 S CB -0.554 62.610 63.200 -0.060 0.000 0.944 393 S HN 0.365 nan 8.310 nan 0.000 0.433 394 V N 1.229 121.148 119.914 0.008 0.000 2.287 394 V HA -0.137 3.951 4.120 -0.053 0.000 0.248 394 V C 2.438 178.577 176.094 0.076 0.000 1.053 394 V CA 1.879 64.190 62.300 0.018 0.000 1.027 394 V CB -0.864 30.969 31.823 0.018 0.000 0.646 394 V HN 0.403 nan 8.190 nan 0.000 0.447 395 V N 0.236 120.249 119.914 0.165 0.000 2.343 395 V HA -0.271 3.817 4.120 -0.053 0.000 0.247 395 V C 2.736 178.999 176.094 0.282 0.000 1.051 395 V CA 2.098 64.619 62.300 0.367 0.000 1.036 395 V CB -1.069 31.012 31.823 0.431 0.000 0.654 395 V HN 0.569 nan 8.190 nan 0.000 0.451 396 A N -0.170 122.737 122.820 0.145 0.000 1.908 396 A HA -0.152 4.136 4.320 -0.053 0.000 0.218 396 A C 2.415 179.792 177.584 -0.345 0.000 1.181 396 A CA 2.173 54.186 52.037 -0.040 0.000 0.627 396 A CB -0.775 18.261 19.000 0.060 0.000 0.818 396 A HN 0.589 nan 8.150 nan 0.000 0.445 397 A N -0.207 122.513 122.820 -0.166 0.000 1.902 397 A HA 0.171 4.459 4.320 -0.053 0.000 0.217 397 A C 2.506 179.997 177.584 -0.156 0.000 1.181 397 A CA 2.064 53.993 52.037 -0.180 0.000 0.623 397 A CB -0.996 17.947 19.000 -0.095 0.000 0.818 397 A HN 1.050 nan 8.150 nan 0.000 0.443 398 A N -0.863 121.924 122.820 -0.055 0.000 1.877 398 A HA -0.127 4.161 4.320 -0.053 0.000 0.216 398 A C 2.170 179.792 177.584 0.063 0.000 1.186 398 A CA 1.964 54.014 52.037 0.022 0.000 0.620 398 A CB -0.491 18.573 19.000 0.107 0.000 0.822 398 A HN 0.412 nan 8.150 nan 0.000 0.443 399 M N -0.802 118.759 119.600 -0.064 0.000 2.159 399 M HA -0.156 4.292 4.480 -0.053 0.000 0.263 399 M C 2.455 178.574 176.300 -0.302 0.000 1.063 399 M CA 1.265 56.455 55.300 -0.184 0.000 1.110 399 M CB -1.798 30.765 32.600 -0.061 0.000 1.374 399 M HN 0.682 nan 8.290 nan 0.000 0.411 400 C N 0.663 119.621 119.300 -0.571 0.000 2.432 400 C HA -0.168 4.261 4.460 -0.053 0.000 0.277 400 C C 2.881 177.793 174.990 -0.129 0.000 1.249 400 C CA 0.806 59.581 59.018 -0.405 0.000 1.725 400 C CB -0.649 26.829 27.740 -0.437 0.000 2.028 400 C HN 0.475 nan 8.230 nan 0.000 0.477 401 M N 0.104 119.665 119.600 -0.064 0.000 2.108 401 M HA -0.122 4.326 4.480 -0.053 0.000 0.261 401 M C 2.127 178.442 176.300 0.025 0.000 1.066 401 M CA 1.464 56.777 55.300 0.022 0.000 1.107 401 M CB -1.535 31.163 32.600 0.164 0.000 1.356 401 M HN 0.491 nan 8.290 nan 0.000 0.406 402 L N 0.179 121.464 121.223 0.103 0.000 1.989 402 L HA -0.141 4.167 4.340 -0.053 0.000 0.211 402 L C 2.323 179.101 176.870 -0.154 0.000 1.071 402 L CA 1.636 56.466 54.840 -0.017 0.000 0.749 402 L CB -0.837 41.015 42.059 -0.346 0.000 0.890 402 L HN 0.021 nan 8.230 nan 0.000 0.431 403 V N -0.041 119.788 119.914 -0.142 0.000 2.490 403 V HA -0.244 3.844 4.120 -0.053 0.000 0.250 403 V C 2.673 178.645 176.094 -0.204 0.000 1.061 403 V CA 1.505 63.703 62.300 -0.171 0.000 1.064 403 V CB -0.966 30.815 31.823 -0.069 0.000 0.670 403 V HN 0.632 nan 8.190 nan 0.000 0.461 404 A N -0.110 122.629 122.820 -0.135 0.000 2.067 404 A HA -0.080 4.208 4.320 -0.053 0.000 0.217 404 A C 2.195 179.695 177.584 -0.139 0.000 1.156 404 A CA 0.827 52.793 52.037 -0.118 0.000 0.683 404 A CB -0.254 18.699 19.000 -0.077 0.000 0.808 404 A HN 0.543 nan 8.150 nan 0.000 0.455 405 R N -0.890 119.500 120.500 -0.182 0.000 2.317 405 R HA 0.096 4.404 4.340 -0.053 0.000 0.208 405 R C 0.955 177.154 176.300 -0.168 0.000 0.914 405 R CA 1.018 56.995 56.100 -0.205 0.000 1.060 405 R CB -0.089 30.001 30.300 -0.350 0.000 1.015 405 R HN 0.397 nan 8.270 nan 0.000 0.498 406 T N 0.376 114.831 114.554 -0.165 0.000 3.046 406 T HA 0.058 4.376 4.350 -0.053 0.000 0.242 406 T C 0.412 175.038 174.700 -0.123 0.000 1.018 406 T CA 0.541 62.559 62.100 -0.138 0.000 1.131 406 T CB 0.403 69.178 68.868 -0.154 0.000 0.904 406 T HN 0.049 nan 8.240 nan 0.000 0.459 407 E N 2.071 122.162 120.200 -0.181 0.000 2.070 407 E HA 0.328 4.646 4.350 -0.053 0.000 0.261 407 E C 0.113 176.685 176.600 -0.047 0.000 0.926 407 E CA -0.259 56.061 56.400 -0.133 0.000 0.760 407 E CB 1.650 31.087 29.700 -0.438 0.000 1.133 407 E HN 0.044 nan 8.360 nan 0.000 0.420 408 K N 0.758 121.159 120.400 0.001 0.000 2.103 408 K HA -0.156 4.132 4.320 -0.053 0.000 0.207 408 K C 0.553 177.194 176.600 0.069 0.000 1.048 408 K CA 0.934 57.230 56.287 0.017 0.000 0.930 408 K CB -0.077 32.432 32.500 0.016 0.000 0.716 408 K HN 0.283 nan 8.250 nan 0.000 0.444 409 D N 0.868 121.344 120.400 0.126 0.000 2.545 409 D HA 0.056 4.664 4.640 -0.053 0.000 0.227 409 D C -1.225 175.227 176.300 0.255 0.000 1.150 409 D CA -0.098 54.006 54.000 0.175 0.000 1.046 409 D CB -0.147 40.761 40.800 0.180 0.000 1.098 409 D HN 0.111 nan 8.370 nan 0.000 0.502 410 S N 2.091 117.910 115.700 0.198 0.000 2.566 410 S HA 0.249 4.687 4.470 -0.053 0.000 0.273 410 S C -1.117 173.603 174.600 0.199 0.000 1.157 410 S CA -1.116 57.227 58.200 0.237 0.000 0.938 410 S CB 1.369 64.662 63.200 0.155 0.000 1.087 410 S HN 0.359 nan 8.310 nan 0.000 0.474 411 H N 3.786 122.944 119.070 0.147 0.000 2.476 411 H HA 0.536 5.057 4.556 -0.058 0.000 0.328 411 H C -0.925 174.442 175.328 0.065 0.000 1.073 411 H CA -0.615 55.498 56.048 0.107 0.000 1.229 411 H CB 1.076 30.933 29.762 0.159 0.000 1.432 411 H HN 0.701 nan 8.280 nan 0.000 0.477 412 M N 5.105 124.688 119.600 -0.028 0.000 2.277 412 M HA 0.354 4.802 4.480 -0.053 0.000 0.350 412 M C -0.356 175.951 176.300 0.012 0.000 1.180 412 M CA -0.968 54.342 55.300 0.018 0.000 1.103 412 M CB 1.820 34.388 32.600 -0.054 0.000 1.577 412 M HN 0.394 nan 8.290 nan 0.000 0.459 413 V N -0.484 119.438 119.914 0.014 0.000 3.087 413 V HA 1.028 5.116 4.120 -0.053 0.000 0.306 413 V C -1.184 174.917 176.094 0.011 0.000 1.187 413 V CA -0.922 61.334 62.300 -0.073 0.000 0.999 413 V CB 1.593 33.244 31.823 -0.287 0.000 1.049 413 V HN 0.977 nan 8.190 nan 0.000 0.431 414 A N 3.233 126.048 122.820 -0.008 0.000 2.356 414 A HA 1.091 5.379 4.320 -0.053 0.000 0.323 414 A C -0.913 176.738 177.584 0.112 0.000 1.119 414 A CA -0.553 51.498 52.037 0.023 0.000 0.790 414 A CB 1.577 20.548 19.000 -0.049 0.000 1.273 414 A HN 2.231 nan 8.150 nan 0.000 0.452 415 F N -0.381 119.540 119.950 -0.050 0.000 2.693 415 F HA 0.715 5.225 4.527 -0.029 0.000 0.309 415 F C 0.220 176.009 175.800 -0.017 0.000 1.129 415 F CA -0.003 57.973 58.000 -0.041 0.000 0.948 415 F CB 0.909 39.886 39.000 -0.039 0.000 1.315 415 F HN 0.704 nan 8.300 nan 0.000 0.447 416 S N 0.362 116.121 115.700 0.098 0.000 3.576 416 S HA 0.254 4.692 4.470 -0.053 0.000 0.179 416 S C 0.217 174.934 174.600 0.196 0.000 0.977 416 S CA 0.529 58.742 58.200 0.023 0.000 1.189 416 S CB -0.279 62.908 63.200 -0.022 0.000 1.443 416 S HN 0.784 nan 8.310 nan 0.000 0.874 417 D N 1.285 121.758 120.400 0.122 0.000 2.402 417 D HA 0.302 4.911 4.640 -0.053 0.000 0.216 417 D C 0.183 176.545 176.300 0.103 0.000 1.128 417 D CA -0.219 53.849 54.000 0.114 0.000 0.833 417 D CB -0.016 40.826 40.800 0.070 0.000 0.971 417 D HN 0.796 nan 8.370 nan 0.000 0.503 418 E N -0.867 119.405 120.200 0.120 0.000 2.401 418 E HA 0.269 4.587 4.350 -0.053 0.000 0.280 418 E C -1.007 175.659 176.600 0.109 0.000 1.039 418 E CA -1.114 55.344 56.400 0.097 0.000 0.814 418 E CB 0.825 30.565 29.700 0.067 0.000 1.275 418 E HN -0.244 nan 8.360 nan 0.000 0.448 419 M N 2.099 121.747 119.600 0.080 0.000 2.219 419 M HA 0.281 4.729 4.480 -0.053 0.000 0.353 419 M C -0.747 175.560 176.300 0.011 0.000 1.304 419 M CA -0.302 55.015 55.300 0.030 0.000 1.115 419 M CB -0.003 32.581 32.600 -0.026 0.000 1.664 419 M HN 0.505 nan 8.290 nan 0.000 0.459 420 L N 5.818 127.036 121.223 -0.008 0.000 2.342 420 L HA 0.591 4.899 4.340 -0.053 0.000 0.271 420 L C -1.847 174.996 176.870 -0.044 0.000 1.008 420 L CA -1.855 52.975 54.840 -0.016 0.000 0.818 420 L CB 1.426 43.476 42.059 -0.014 0.000 1.296 420 L HN 0.441 nan 8.230 nan 0.000 0.427 421 P HA -0.029 nan 4.420 nan 0.000 0.264 421 P C -0.187 177.086 177.300 -0.045 0.000 1.193 421 P CA -0.230 62.852 63.100 -0.031 0.000 0.763 421 P CB 0.549 32.243 31.700 -0.010 0.000 0.810 422 C N 7.493 126.758 119.300 -0.059 0.000 2.657 422 C HA 0.113 4.541 4.460 -0.053 0.000 0.404 422 C C 0.022 174.979 174.990 -0.054 0.000 1.369 422 C CA -1.265 57.714 59.018 -0.065 0.000 1.665 422 C CB -0.859 26.829 27.740 -0.087 0.000 2.453 422 C HN 0.538 nan 8.230 nan 0.000 0.599 423 P HA -0.013 nan 4.420 nan 0.000 0.226 423 P C 0.224 177.500 177.300 -0.040 0.000 1.153 423 P CA 1.155 64.231 63.100 -0.040 0.000 0.777 423 P CB -0.050 31.626 31.700 -0.039 0.000 0.794 424 I N -2.532 118.008 120.570 -0.050 0.000 2.910 424 I HA 0.670 4.809 4.170 -0.053 0.000 0.310 424 I C -0.500 175.581 176.117 -0.060 0.000 1.043 424 I CA -1.083 60.188 61.300 -0.048 0.000 1.053 424 I CB 2.308 40.280 38.000 -0.047 0.000 1.242 424 I HN -0.259 nan 8.210 nan 0.000 0.452 425 T N -0.278 114.244 114.554 -0.053 0.000 2.901 425 T HA 0.407 4.725 4.350 -0.053 0.000 0.293 425 T C 0.807 175.472 174.700 -0.059 0.000 1.084 425 T CA -0.713 61.349 62.100 -0.063 0.000 1.008 425 T CB 1.706 70.542 68.868 -0.053 0.000 1.170 425 T HN 0.438 nan 8.240 nan 0.000 0.509 426 V N 1.170 121.043 119.914 -0.069 0.000 2.568 426 V HA -0.152 3.936 4.120 -0.053 0.000 0.253 426 V C 1.992 178.041 176.094 -0.075 0.000 1.072 426 V CA 1.575 63.829 62.300 -0.077 0.000 1.084 426 V CB -0.987 30.788 31.823 -0.079 0.000 0.676 426 V HN 0.836 nan 8.190 nan 0.000 0.469 427 N N -0.523 118.143 118.700 -0.057 0.000 2.336 427 N HA 0.200 4.908 4.740 -0.053 0.000 0.189 427 N C 0.570 176.058 175.510 -0.036 0.000 1.113 427 N CA 0.183 53.204 53.050 -0.049 0.000 0.858 427 N CB 0.136 38.600 38.487 -0.038 0.000 0.970 427 N HN 0.478 nan 8.380 nan 0.000 0.471 428 M N 0.908 120.490 119.600 -0.030 0.000 2.240 428 M HA 0.186 4.635 4.480 -0.053 0.000 0.333 428 M C 0.280 176.575 176.300 -0.009 0.000 1.110 428 M CA -0.089 55.200 55.300 -0.020 0.000 1.173 428 M CB 1.053 33.644 32.600 -0.015 0.000 1.458 428 M HN -0.176 nan 8.290 nan 0.000 0.458 429 L N 1.970 123.174 121.223 -0.033 0.000 2.417 429 L HA 0.093 4.402 4.340 -0.053 0.000 0.268 429 L C 1.296 178.138 176.870 -0.048 0.000 1.158 429 L CA -0.337 54.471 54.840 -0.053 0.000 0.819 429 L CB 0.483 42.442 42.059 -0.167 0.000 1.112 429 L HN 0.728 nan 8.230 nan 0.000 0.458 430 L N 1.772 122.968 121.223 -0.045 0.000 2.089 430 L HA -0.288 4.020 4.340 -0.053 0.000 0.213 430 L C 2.499 179.353 176.870 -0.028 0.000 1.079 430 L CA 1.936 56.716 54.840 -0.101 0.000 0.758 430 L CB -0.488 41.406 42.059 -0.275 0.000 0.891 430 L HN 0.783 nan 8.230 nan 0.000 0.433 431 H N -2.110 116.919 119.070 -0.068 0.000 2.547 431 H HA -0.090 4.433 4.556 -0.055 0.000 0.272 431 H C 1.910 177.210 175.328 -0.047 0.000 0.989 431 H CA 0.843 56.857 56.048 -0.057 0.000 1.214 431 H CB 0.151 29.892 29.762 -0.034 0.000 1.389 431 H HN 0.518 nan 8.280 nan 0.000 0.577 432 E N 1.513 121.893 120.200 0.302 0.000 2.170 432 E HA -0.105 4.214 4.350 -0.053 0.000 0.191 432 E C 2.327 178.966 176.600 0.064 0.000 0.981 432 E CA 0.791 57.311 56.400 0.201 0.000 0.830 432 E CB 0.336 30.101 29.700 0.108 0.000 0.775 432 E HN 0.406 nan 8.360 nan 0.000 0.470 433 V N -0.609 119.322 119.914 0.029 0.000 2.871 433 V HA -0.090 3.998 4.120 -0.053 0.000 0.256 433 V C 1.910 177.991 176.094 -0.021 0.000 1.082 433 V CA 1.078 63.371 62.300 -0.011 0.000 1.105 433 V CB 0.194 31.997 31.823 -0.032 0.000 0.713 433 V HN 0.121 nan 8.190 nan 0.000 0.473 434 V N 2.039 121.946 119.914 -0.012 0.000 2.255 434 V HA -0.218 3.870 4.120 -0.053 0.000 0.243 434 V C 2.792 178.867 176.094 -0.033 0.000 1.038 434 V CA 2.510 64.794 62.300 -0.026 0.000 1.008 434 V CB -0.820 30.988 31.823 -0.025 0.000 0.645 434 V HN 0.857 nan 8.190 nan 0.000 0.449 435 E N 0.313 120.491 120.200 -0.037 0.000 2.268 435 E HA -0.225 4.093 4.350 -0.053 0.000 0.195 435 E C 1.993 178.571 176.600 -0.037 0.000 0.995 435 E CA 1.046 57.417 56.400 -0.049 0.000 0.836 435 E CB -0.170 29.486 29.700 -0.073 0.000 0.763 435 E HN 0.509 nan 8.360 nan 0.000 0.491 436 K N -0.116 120.268 120.400 -0.027 0.000 2.155 436 K HA -0.014 4.274 4.320 -0.053 0.000 0.203 436 K C 1.962 178.540 176.600 -0.036 0.000 1.052 436 K CA 0.844 57.114 56.287 -0.028 0.000 0.948 436 K CB -0.016 32.470 32.500 -0.023 0.000 0.728 436 K HN 0.291 nan 8.250 nan 0.000 0.448 437 M N 0.610 120.187 119.600 -0.039 0.000 2.394 437 M HA -0.017 4.431 4.480 -0.053 0.000 0.264 437 M C 2.089 178.362 176.300 -0.046 0.000 1.073 437 M CA 0.917 56.189 55.300 -0.047 0.000 1.111 437 M CB -0.936 31.636 32.600 -0.046 0.000 1.401 437 M HN -0.047 nan 8.290 nan 0.000 0.448 438 S N 1.459 117.134 115.700 -0.041 0.000 2.354 438 S HA -0.183 4.255 4.470 -0.053 0.000 0.219 438 S C 1.252 175.829 174.600 -0.039 0.000 1.035 438 S CA 1.962 60.139 58.200 -0.039 0.000 1.037 438 S CB -0.304 62.873 63.200 -0.039 0.000 0.956 438 S HN 0.506 nan 8.310 nan 0.000 0.428 439 D N 0.642 121.021 120.400 -0.036 0.000 2.309 439 D HA -0.033 4.575 4.640 -0.053 0.000 0.212 439 D C 1.557 177.836 176.300 -0.035 0.000 0.968 439 D CA 0.740 54.721 54.000 -0.032 0.000 0.882 439 D CB -0.019 40.764 40.800 -0.028 0.000 0.918 439 D HN 0.465 nan 8.370 nan 0.000 0.503 440 I N -0.500 120.045 120.570 -0.042 0.000 4.035 440 I HA 0.053 4.191 4.170 -0.053 0.000 0.321 440 I C -0.206 175.875 176.117 -0.061 0.000 1.289 440 I CA 0.282 61.554 61.300 -0.047 0.000 1.236 440 I CB 0.475 38.446 38.000 -0.048 0.000 1.076 440 I HN -0.262 nan 8.210 nan 0.000 0.418 441 T N 5.925 120.438 114.554 -0.068 0.000 2.799 441 T HA 0.428 4.746 4.350 -0.053 0.000 0.296 441 T C -0.098 174.550 174.700 -0.085 0.000 0.947 441 T CA 0.333 62.380 62.100 -0.088 0.000 1.141 441 T CB 0.189 69.003 68.868 -0.090 0.000 0.891 441 T HN 0.514 nan 8.240 nan 0.000 0.533 442 M N 0.961 120.503 119.600 -0.098 0.000 3.306 442 M HA 0.518 4.967 4.480 -0.053 0.000 0.270 442 M C -0.326 175.929 176.300 -0.075 0.000 0.870 442 M CA -0.694 54.556 55.300 -0.083 0.000 0.838 442 M CB 0.376 32.946 32.600 -0.051 0.000 1.575 442 M HN 1.048 nan 8.290 nan 0.000 0.573 443 G N 0.927 109.697 108.800 -0.050 0.000 2.757 443 G HA2 0.052 3.980 3.960 -0.053 0.000 0.638 443 G HA3 0.052 3.980 3.960 -0.053 0.000 0.638 443 G C -0.828 174.061 174.900 -0.019 0.000 1.344 443 G CA -0.243 44.842 45.100 -0.024 0.000 0.855 443 G HN 1.140 nan 8.290 nan 0.000 0.537 444 S N -1.057 114.652 115.700 0.016 0.000 2.686 444 S HA 0.797 5.235 4.470 -0.053 0.000 0.270 444 S C 0.371 175.001 174.600 0.050 0.000 1.194 444 S CA 0.211 58.435 58.200 0.041 0.000 0.990 444 S CB 1.402 64.634 63.200 0.054 0.000 1.029 444 S HN 1.021 nan 8.310 nan 0.000 0.560 445 T N 1.904 116.504 114.554 0.077 0.000 2.772 445 T HA 0.382 4.700 4.350 -0.053 0.000 0.288 445 T C -1.121 173.667 174.700 0.147 0.000 0.994 445 T CA -0.496 61.675 62.100 0.119 0.000 0.951 445 T CB 0.842 69.776 68.868 0.111 0.000 0.933 445 T HN 0.440 nan 8.240 nan 0.000 0.447 446 D N 2.171 122.710 120.400 0.232 0.000 2.412 446 D HA 0.219 4.827 4.640 -0.053 0.000 0.276 446 D C 0.519 176.904 176.300 0.141 0.000 1.196 446 D CA -0.752 53.337 54.000 0.148 0.000 0.905 446 D CB 0.096 40.955 40.800 0.098 0.000 1.081 446 D HN 0.505 nan 8.370 nan 0.000 0.502 447 C N 2.331 121.723 119.300 0.154 0.000 2.514 447 C HA 0.220 4.648 4.460 -0.053 0.000 0.289 447 C C 1.986 176.901 174.990 -0.125 0.000 1.458 447 C CA 0.653 59.704 59.018 0.056 0.000 1.669 447 C CB -1.764 26.087 27.740 0.184 0.000 1.613 447 C HN 0.665 nan 8.230 nan 0.000 0.594 448 A N -0.369 122.385 122.820 -0.110 0.000 2.252 448 A HA 0.252 4.540 4.320 -0.053 0.000 0.213 448 A C 1.862 179.371 177.584 -0.124 0.000 1.188 448 A CA 0.134 52.130 52.037 -0.068 0.000 0.863 448 A CB -0.200 18.801 19.000 0.002 0.000 0.893 448 A HN 0.516 nan 8.150 nan 0.000 0.495 449 L N 0.006 121.092 121.223 -0.228 0.000 2.021 449 L HA -0.181 4.128 4.340 -0.053 0.000 0.215 449 L C -0.503 176.270 176.870 -0.162 0.000 1.074 449 L CA 1.824 56.556 54.840 -0.180 0.000 0.760 449 L CB -1.730 40.206 42.059 -0.205 0.000 0.889 449 L HN 0.219 nan 8.230 nan 0.000 0.433 450 P HA -0.203 nan 4.420 nan 0.000 0.212 450 P C 1.723 178.930 177.300 -0.155 0.000 1.178 450 P CA 1.509 64.442 63.100 -0.279 0.000 0.915 450 P CB -0.011 31.437 31.700 -0.419 0.000 0.788 451 M N -1.491 118.046 119.600 -0.105 0.000 2.073 451 M HA -0.161 4.287 4.480 -0.053 0.000 0.258 451 M C 2.192 178.585 176.300 0.155 0.000 1.070 451 M CA 1.916 57.289 55.300 0.121 0.000 1.103 451 M CB -1.744 31.005 32.600 0.248 0.000 1.321 451 M HN -0.138 nan 8.290 nan 0.000 0.405 452 L N -2.182 119.110 121.223 0.116 0.000 2.012 452 L HA -0.251 4.057 4.340 -0.053 0.000 0.210 452 L C 2.423 179.368 176.870 0.124 0.000 1.073 452 L CA 1.612 56.523 54.840 0.120 0.000 0.748 452 L CB -0.818 41.290 42.059 0.081 0.000 0.891 452 L HN 0.529 nan 8.230 nan 0.000 0.431 453 W N 0.881 122.158 121.300 -0.039 0.000 2.355 453 W HA -0.244 4.400 4.660 -0.026 0.000 0.309 453 W C 2.555 179.069 176.519 -0.009 0.000 1.206 453 W CA 1.863 59.185 57.345 -0.037 0.000 1.284 453 W CB -0.269 29.144 29.460 -0.079 0.000 1.145 453 W HN 0.120 nan 8.180 nan 0.000 0.502 454 A N 0.213 123.036 122.820 0.004 0.000 1.917 454 A HA -0.344 3.944 4.320 -0.053 0.000 0.219 454 A C 2.085 179.681 177.584 0.019 0.000 1.182 454 A CA 2.209 54.172 52.037 -0.122 0.000 0.633 454 A CB -1.287 17.729 19.000 0.027 0.000 0.819 454 A HN 0.610 nan 8.150 nan 0.000 0.448 455 Q N -0.578 119.348 119.800 0.211 0.000 2.046 455 Q HA -0.182 4.126 4.340 -0.053 0.000 0.200 455 Q C 2.065 178.020 176.000 -0.075 0.000 0.975 455 Q CA 1.599 57.477 55.803 0.125 0.000 0.836 455 Q CB -0.168 28.658 28.738 0.146 0.000 0.896 455 Q HN 0.602 nan 8.270 nan 0.000 0.428 456 K N -0.309 120.014 120.400 -0.130 0.000 2.152 456 K HA -0.099 4.189 4.320 -0.053 0.000 0.206 456 K C 1.571 178.012 176.600 -0.265 0.000 1.048 456 K CA 1.690 57.873 56.287 -0.173 0.000 0.933 456 K CB 0.035 32.447 32.500 -0.146 0.000 0.721 456 K HN 0.368 nan 8.250 nan 0.000 0.447 457 T N -0.816 113.449 114.554 -0.480 0.000 3.163 457 T HA 0.035 4.353 4.350 -0.053 0.000 0.252 457 T C 0.324 174.823 174.700 -0.335 0.000 1.056 457 T CA -0.080 61.720 62.100 -0.500 0.000 0.947 457 T CB -0.263 68.022 68.868 -0.973 0.000 1.016 457 T HN 0.202 nan 8.240 nan 0.000 0.554 458 N N 1.408 119.967 118.700 -0.235 0.000 2.710 458 N HA -0.165 4.543 4.740 -0.053 0.000 0.249 458 N C -0.946 174.495 175.510 -0.114 0.000 1.059 458 N CA 0.842 53.807 53.050 -0.140 0.000 0.720 458 N CB -1.726 36.696 38.487 -0.108 0.000 0.983 458 N HN 0.453 nan 8.380 nan 0.000 0.544 459 T N 0.562 115.024 114.554 -0.154 0.000 2.749 459 T HA 0.595 4.913 4.350 -0.053 0.000 0.295 459 T C 0.512 175.294 174.700 0.136 0.000 0.936 459 T CA 0.138 62.191 62.100 -0.080 0.000 1.060 459 T CB 1.151 69.862 68.868 -0.261 0.000 0.904 459 T HN 0.461 nan 8.240 nan 0.000 0.500 460 A N 2.892 125.793 122.820 0.135 0.000 2.327 460 A HA 0.821 5.109 4.320 -0.053 0.000 0.283 460 A C 0.167 177.899 177.584 0.247 0.000 1.127 460 A CA -0.572 51.588 52.037 0.206 0.000 0.810 460 A CB 0.293 19.355 19.000 0.104 0.000 1.066 460 A HN 1.137 nan 8.150 nan 0.000 0.492 461 A N 1.376 124.375 122.820 0.299 0.000 2.594 461 A HA 0.599 4.887 4.320 -0.053 0.000 0.296 461 A C -0.377 177.254 177.584 0.079 0.000 1.061 461 A CA -0.484 51.692 52.037 0.232 0.000 0.689 461 A CB 0.835 20.113 19.000 0.463 0.000 1.280 461 A HN 0.666 nan 8.150 nan 0.000 0.406 462 D N 0.324 120.689 120.400 -0.057 0.000 2.380 462 D HA 0.166 4.774 4.640 -0.053 0.000 0.212 462 D C 0.145 176.321 176.300 -0.207 0.000 1.021 462 D CA 1.016 54.926 54.000 -0.149 0.000 0.884 462 D CB 0.606 41.288 40.800 -0.197 0.000 1.001 462 D HN 0.391 nan 8.370 nan 0.000 0.506 463 I N 0.770 121.225 120.570 -0.192 0.000 2.647 463 I HA 0.302 4.440 4.170 -0.053 0.000 0.295 463 I C -0.896 175.410 176.117 0.315 0.000 1.078 463 I CA -0.668 60.595 61.300 -0.062 0.000 1.048 463 I CB 1.906 39.790 38.000 -0.193 0.000 1.239 463 I HN -0.275 nan 8.210 nan 0.000 0.421 464 F N 5.376 125.345 119.950 0.031 0.000 2.493 464 F HA 0.569 5.069 4.527 -0.044 0.000 0.329 464 F C 0.146 175.984 175.800 0.063 0.000 1.126 464 F CA -1.322 56.701 58.000 0.039 0.000 0.937 464 F CB 1.748 40.725 39.000 -0.037 0.000 1.146 464 F HN 0.129 nan 8.300 nan 0.000 0.442 465 I N 4.303 125.016 120.570 0.237 0.000 2.410 465 I HA 0.392 4.530 4.170 -0.053 0.000 0.286 465 I C -1.048 175.051 176.117 -0.029 0.000 1.009 465 I CA -0.828 60.492 61.300 0.035 0.000 1.111 465 I CB 1.936 39.938 38.000 0.002 0.000 1.262 465 I HN 0.101 nan 8.210 nan 0.000 0.443 466 V N 6.839 126.702 119.914 -0.086 0.000 2.357 466 V HA 0.345 4.433 4.120 -0.053 0.000 0.284 466 V C -0.503 175.561 176.094 -0.050 0.000 1.018 466 V CA -0.490 61.851 62.300 0.069 0.000 0.841 466 V CB 1.221 33.133 31.823 0.149 0.000 0.991 466 V HN 0.378 nan 8.190 nan 0.000 0.437 467 F N 3.509 123.574 119.950 0.192 0.000 2.334 467 F HA 0.587 5.080 4.527 -0.056 0.000 0.365 467 F C 0.680 176.553 175.800 0.121 0.000 1.124 467 F CA 0.058 58.149 58.000 0.152 0.000 1.166 467 F CB 1.244 40.321 39.000 0.128 0.000 1.355 467 F HN 0.512 nan 8.300 nan 0.000 0.532 468 T N 0.211 114.905 114.554 0.233 0.000 2.812 468 T HA 0.300 4.619 4.350 -0.053 0.000 0.294 468 T C 0.008 174.794 174.700 0.143 0.000 1.159 468 T CA -0.659 61.546 62.100 0.175 0.000 1.008 468 T CB 1.349 70.354 68.868 0.228 0.000 1.289 468 T HN 0.485 nan 8.240 nan 0.000 0.514 469 D N -0.356 120.119 120.400 0.124 0.000 2.369 469 D HA 0.179 4.787 4.640 -0.053 0.000 0.211 469 D C 1.062 177.471 176.300 0.183 0.000 1.077 469 D CA 0.005 54.083 54.000 0.130 0.000 0.842 469 D CB -1.024 39.849 40.800 0.122 0.000 0.947 469 D HN 0.627 nan 8.370 nan 0.000 0.509 470 C N 0.440 119.844 119.300 0.173 0.000 4.400 470 C HA -0.140 4.288 4.460 -0.053 0.000 0.275 470 C C 0.437 175.481 174.990 0.091 0.000 1.391 470 C CA 0.203 59.322 59.018 0.168 0.000 1.816 470 C CB -2.226 25.645 27.740 0.219 0.000 1.404 470 C HN 0.429 nan 8.230 nan 0.000 0.754 471 E N 1.125 121.373 120.200 0.079 0.000 2.261 471 E HA 0.124 4.443 4.350 -0.053 0.000 0.308 471 E C 0.649 177.232 176.600 -0.029 0.000 1.400 471 E CA 0.282 56.649 56.400 -0.056 0.000 1.542 471 E CB 0.396 30.097 29.700 0.002 0.000 1.369 471 E HN 0.658 nan 8.360 nan 0.000 0.493 472 T N 1.937 116.479 114.554 -0.020 0.000 2.918 472 T HA 0.087 4.405 4.350 -0.053 0.000 0.302 472 T C 0.863 175.534 174.700 -0.048 0.000 1.045 472 T CA -0.104 62.003 62.100 0.012 0.000 1.114 472 T CB 0.275 69.159 68.868 0.027 0.000 0.965 472 T HN 0.426 nan 8.240 nan 0.000 0.540 473 N N 2.579 121.270 118.700 -0.015 0.000 2.162 473 N HA 0.072 4.780 4.740 -0.053 0.000 0.232 473 N C -0.310 175.191 175.510 -0.014 0.000 1.361 473 N CA -0.231 52.799 53.050 -0.033 0.000 0.786 473 N CB -0.249 38.228 38.487 -0.016 0.000 1.290 473 N HN 0.462 nan 8.380 nan 0.000 0.505 474 V N -1.398 118.511 119.914 -0.009 0.000 2.966 474 V HA 0.579 4.667 4.120 -0.053 0.000 0.317 474 V C 0.083 176.157 176.094 -0.033 0.000 1.070 474 V CA -0.745 61.552 62.300 -0.005 0.000 1.008 474 V CB 1.613 33.446 31.823 0.017 0.000 1.070 474 V HN 0.030 nan 8.190 nan 0.000 0.457 475 E N 1.975 122.160 120.200 -0.024 0.000 1.856 475 E HA 0.395 4.713 4.350 -0.053 0.000 0.263 475 E C -1.037 175.544 176.600 -0.033 0.000 1.137 475 E CA 0.098 56.477 56.400 -0.036 0.000 1.007 475 E CB 0.255 29.943 29.700 -0.020 0.000 1.117 475 E HN 0.819 nan 8.360 nan 0.000 0.438 476 D N 0.317 120.684 120.400 -0.055 0.000 2.579 476 D HA 0.203 4.811 4.640 -0.053 0.000 0.257 476 D C -0.652 175.605 176.300 -0.071 0.000 1.176 476 D CA -0.834 53.143 54.000 -0.038 0.000 0.914 476 D CB 1.655 42.444 40.800 -0.019 0.000 1.431 476 D HN 0.066 nan 8.370 nan 0.000 0.454 477 V N 0.126 120.024 119.914 -0.027 0.000 3.178 477 V HA 0.219 4.307 4.120 -0.053 0.000 0.306 477 V C 0.408 176.487 176.094 -0.026 0.000 1.107 477 V CA -0.010 62.287 62.300 -0.006 0.000 1.195 477 V CB 0.322 32.176 31.823 0.052 0.000 0.993 477 V HN 0.515 nan 8.190 nan 0.000 0.493 478 H N 5.033 124.117 119.070 0.024 0.000 2.897 478 H HA 0.132 4.657 4.556 -0.051 0.000 0.347 478 H C -1.371 173.997 175.328 0.067 0.000 1.068 478 H CA -0.490 55.575 56.048 0.029 0.000 1.426 478 H CB 1.378 31.148 29.762 0.014 0.000 1.410 478 H HN 0.596 nan 8.280 nan 0.000 0.597 479 P HA -0.191 nan 4.420 nan 0.000 0.216 479 P C 1.196 178.616 177.300 0.199 0.000 1.153 479 P CA 1.711 64.907 63.100 0.160 0.000 0.858 479 P CB 0.103 31.891 31.700 0.147 0.000 0.789 480 A N -0.271 122.710 122.820 0.268 0.000 1.933 480 A HA -0.143 4.145 4.320 -0.053 0.000 0.218 480 A C 2.360 180.061 177.584 0.196 0.000 1.175 480 A CA 2.383 54.575 52.037 0.258 0.000 0.628 480 A CB -1.866 17.378 19.000 0.406 0.000 0.814 480 A HN 0.207 nan 8.150 nan 0.000 0.444 481 T N 0.157 114.833 114.554 0.203 0.000 2.777 481 T HA 0.037 4.356 4.350 -0.053 0.000 0.266 481 T C 2.225 177.009 174.700 0.139 0.000 1.040 481 T CA 1.376 63.570 62.100 0.156 0.000 1.141 481 T CB -0.397 68.569 68.868 0.164 0.000 0.868 481 T HN 0.591 nan 8.240 nan 0.000 0.444 482 A N 1.231 124.139 122.820 0.146 0.000 1.933 482 A HA -0.017 4.271 4.320 -0.053 0.000 0.218 482 A C 2.220 179.914 177.584 0.183 0.000 1.175 482 A CA 1.216 53.339 52.037 0.144 0.000 0.628 482 A CB -0.723 18.351 19.000 0.123 0.000 0.814 482 A HN 0.404 nan 8.150 nan 0.000 0.444 483 L N -0.253 121.071 121.223 0.168 0.000 2.027 483 L HA -0.088 4.220 4.340 -0.053 0.000 0.206 483 L C 2.222 179.185 176.870 0.155 0.000 1.074 483 L CA 2.166 57.098 54.840 0.152 0.000 0.745 483 L CB -0.541 41.571 42.059 0.089 0.000 0.898 483 L HN 0.324 nan 8.230 nan 0.000 0.433 484 K N -0.760 119.710 120.400 0.117 0.000 2.009 484 K HA -0.232 4.056 4.320 -0.053 0.000 0.210 484 K C 2.096 178.747 176.600 0.085 0.000 1.049 484 K CA 2.066 58.404 56.287 0.085 0.000 0.929 484 K CB -0.325 32.217 32.500 0.071 0.000 0.714 484 K HN 0.479 nan 8.250 nan 0.000 0.440 485 Q N -0.474 119.385 119.800 0.098 0.000 2.197 485 Q HA -0.234 4.074 4.340 -0.053 0.000 0.207 485 Q C 1.940 177.986 176.000 0.076 0.000 0.984 485 Q CA 1.707 57.555 55.803 0.076 0.000 0.869 485 Q CB -0.206 28.583 28.738 0.084 0.000 0.906 485 Q HN 0.392 nan 8.270 nan 0.000 0.426 486 Y N 1.100 121.415 120.300 0.025 0.000 2.133 486 Y HA -0.188 4.332 4.550 -0.051 0.000 0.287 486 Y C 2.227 178.115 175.900 -0.019 0.000 1.134 486 Y CA 1.492 59.605 58.100 0.021 0.000 1.133 486 Y CB -0.000 38.496 38.460 0.060 0.000 0.987 486 Y HN -0.098 nan 8.280 nan 0.000 0.502 487 R N 0.427 120.970 120.500 0.073 0.000 2.122 487 R HA -0.246 4.063 4.340 -0.053 0.000 0.236 487 R C 2.158 178.386 176.300 -0.120 0.000 1.129 487 R CA 2.347 58.428 56.100 -0.032 0.000 0.925 487 R CB -0.611 29.700 30.300 0.017 0.000 0.850 487 R HN 0.508 nan 8.270 nan 0.000 0.431 488 E N 0.371 120.529 120.200 -0.070 0.000 2.070 488 E HA -0.255 4.064 4.350 -0.053 0.000 0.197 488 E C 2.029 178.561 176.600 -0.114 0.000 1.004 488 E CA 1.257 57.614 56.400 -0.073 0.000 0.805 488 E CB -0.079 29.598 29.700 -0.038 0.000 0.744 488 E HN 0.037 nan 8.360 nan 0.000 0.451 489 K N 0.702 121.015 120.400 -0.145 0.000 2.002 489 K HA -0.092 4.196 4.320 -0.053 0.000 0.209 489 K C 1.878 178.340 176.600 -0.230 0.000 1.048 489 K CA 1.539 57.726 56.287 -0.167 0.000 0.930 489 K CB -0.068 32.335 32.500 -0.160 0.000 0.714 489 K HN 0.058 nan 8.250 nan 0.000 0.438 490 M N -1.006 118.359 119.600 -0.392 0.000 2.506 490 M HA 0.190 4.638 4.480 -0.053 0.000 0.260 490 M C 1.021 177.180 176.300 -0.236 0.000 1.104 490 M CA 1.157 56.226 55.300 -0.385 0.000 1.112 490 M CB -0.719 31.458 32.600 -0.704 0.000 1.401 490 M HN 0.434 nan 8.290 nan 0.000 0.473 491 G N 2.185 110.868 108.800 -0.195 0.000 2.176 491 G HA2 -0.239 3.689 3.960 -0.053 0.000 0.252 491 G HA3 -0.239 3.689 3.960 -0.053 0.000 0.252 491 G C 0.057 174.897 174.900 -0.100 0.000 1.024 491 G CA 0.049 45.077 45.100 -0.120 0.000 0.755 491 G HN 0.472 nan 8.290 nan 0.000 0.507 492 I N -0.386 120.117 120.570 -0.112 0.000 2.530 492 I HA 0.320 4.458 4.170 -0.053 0.000 0.297 492 I C -1.904 174.192 176.117 -0.036 0.000 1.011 492 I CA -2.746 58.521 61.300 -0.055 0.000 1.107 492 I CB 2.408 40.406 38.000 -0.004 0.000 1.285 492 I HN -0.200 nan 8.210 nan 0.000 0.436 493 P HA 0.081 nan 4.420 nan 0.000 0.259 493 P C 0.010 177.268 177.300 -0.069 0.000 1.480 493 P CA -0.174 62.895 63.100 -0.052 0.000 0.842 493 P CB -0.145 31.516 31.700 -0.064 0.000 1.513 494 A N 0.793 123.575 122.820 -0.064 0.000 2.610 494 A HA -0.148 4.140 4.320 -0.053 0.000 0.250 494 A C 0.564 178.023 177.584 -0.208 0.000 0.978 494 A CA 0.785 52.707 52.037 -0.192 0.000 0.827 494 A CB -0.359 18.449 19.000 -0.319 0.000 0.867 494 A HN 0.236 nan 8.150 nan 0.000 0.495 495 K N 0.497 120.790 120.400 -0.179 0.000 2.132 495 K HA 0.710 4.998 4.320 -0.053 0.000 0.241 495 K C -0.855 175.728 176.600 -0.028 0.000 1.000 495 K CA -0.734 55.540 56.287 -0.023 0.000 0.911 495 K CB 1.259 33.829 32.500 0.117 0.000 1.093 495 K HN 0.511 nan 8.250 nan 0.000 0.460 496 L N 2.009 123.285 121.223 0.089 0.000 2.404 496 L HA 0.460 4.768 4.340 -0.053 0.000 0.272 496 L C -1.570 175.324 176.870 0.040 0.000 0.980 496 L CA -0.251 54.638 54.840 0.081 0.000 0.836 496 L CB 1.202 43.304 42.059 0.071 0.000 1.238 496 L HN 0.541 nan 8.230 nan 0.000 0.408 497 I N 5.959 126.551 120.570 0.036 0.000 2.339 497 I HA 0.391 4.529 4.170 -0.053 0.000 0.290 497 I C -0.587 175.489 176.117 -0.069 0.000 0.994 497 I CA -0.986 60.270 61.300 -0.073 0.000 1.191 497 I CB 1.812 39.785 38.000 -0.045 0.000 1.343 497 I HN 0.315 nan 8.210 nan 0.000 0.458 498 V N 5.028 124.901 119.914 -0.069 0.000 2.318 498 V HA 0.169 4.257 4.120 -0.053 0.000 0.271 498 V C 0.152 176.213 176.094 -0.054 0.000 1.030 498 V CA -0.702 61.579 62.300 -0.032 0.000 0.844 498 V CB 1.108 32.956 31.823 0.042 0.000 1.015 498 V HN 0.852 nan 8.190 nan 0.000 0.460 499 C N 6.646 125.855 119.300 -0.152 0.000 2.322 499 C HA 0.716 5.144 4.460 -0.053 0.000 0.343 499 C C 1.206 176.264 174.990 0.113 0.000 1.190 499 C CA -0.481 58.488 59.018 -0.083 0.000 1.704 499 C CB -1.152 26.354 27.740 -0.391 0.000 2.293 499 C HN 1.062 nan 8.230 nan 0.000 0.523 500 A N 7.497 130.429 122.820 0.186 0.000 2.477 500 A HA 0.438 4.726 4.320 -0.053 0.000 0.246 500 A C 0.835 178.593 177.584 0.290 0.000 1.078 500 A CA 0.100 52.271 52.037 0.222 0.000 0.770 500 A CB 0.276 19.410 19.000 0.224 0.000 1.011 500 A HN 0.893 nan 8.150 nan 0.000 0.494 501 M N 1.601 121.237 119.600 0.060 0.000 2.333 501 M HA 0.121 4.570 4.480 -0.053 0.000 0.257 501 M C 0.738 176.454 176.300 -0.974 0.000 1.078 501 M CA 0.753 55.897 55.300 -0.260 0.000 1.005 501 M CB -1.050 31.520 32.600 -0.050 0.000 1.444 501 M HN 0.953 nan 8.290 nan 0.000 0.496 502 T N -3.008 111.200 114.554 -0.577 0.000 2.654 502 T HA 0.430 4.748 4.350 -0.053 0.000 0.289 502 T C 0.483 175.152 174.700 -0.051 0.000 1.062 502 T CA -0.154 61.669 62.100 -0.461 0.000 1.041 502 T CB 1.564 70.339 68.868 -0.155 0.000 1.417 502 T HN 0.071 nan 8.240 nan 0.000 0.510 503 S N 0.239 115.970 115.700 0.053 0.000 2.601 503 S HA 0.212 4.650 4.470 -0.053 0.000 0.244 503 S C 0.578 175.197 174.600 0.031 0.000 1.001 503 S CA -0.753 57.535 58.200 0.147 0.000 0.984 503 S CB -1.010 62.346 63.200 0.261 0.000 0.842 503 S HN 0.894 nan 8.310 nan 0.000 0.474 504 N N 1.480 120.161 118.700 -0.032 0.000 2.354 504 N HA 0.175 4.883 4.740 -0.053 0.000 0.246 504 N C 0.687 176.030 175.510 -0.278 0.000 1.285 504 N CA 0.253 53.187 53.050 -0.194 0.000 0.925 504 N CB 0.297 38.688 38.487 -0.161 0.000 1.174 504 N HN 0.204 nan 8.380 nan 0.000 0.478 505 G N -0.286 108.160 108.800 -0.589 0.000 3.702 505 G HA2 0.317 4.245 3.960 -0.053 0.000 0.288 505 G HA3 0.317 4.245 3.960 -0.053 0.000 0.288 505 G C -0.791 173.927 174.900 -0.302 0.000 1.193 505 G CA -0.408 44.458 45.100 -0.390 0.000 0.952 505 G HN 0.391 nan 8.290 nan 0.000 0.544 506 F N 0.182 120.167 119.950 0.059 0.000 2.470 506 F HA 0.792 5.287 4.527 -0.055 0.000 0.329 506 F C 0.449 176.313 175.800 0.106 0.000 1.072 506 F CA -1.857 56.184 58.000 0.069 0.000 0.989 506 F CB 2.264 41.283 39.000 0.031 0.000 1.193 506 F HN -0.031 nan 8.300 nan 0.000 0.481 507 S N 1.650 117.567 115.700 0.362 0.000 2.543 507 S HA 0.452 4.891 4.470 -0.053 0.000 0.273 507 S C -0.003 174.809 174.600 0.353 0.000 1.152 507 S CA -0.748 57.629 58.200 0.295 0.000 0.910 507 S CB 0.805 64.151 63.200 0.244 0.000 1.105 507 S HN 0.658 nan 8.310 nan 0.000 0.465 508 I N 1.914 122.663 120.570 0.298 0.000 3.749 508 I HA 0.566 4.704 4.170 -0.053 0.000 0.314 508 I C 0.569 176.948 176.117 0.437 0.000 1.267 508 I CA -0.392 61.117 61.300 0.349 0.000 1.169 508 I CB -0.313 37.831 38.000 0.239 0.000 1.009 508 I HN 0.484 nan 8.210 nan 0.000 0.444 509 A N 1.636 124.660 122.820 0.339 0.000 2.274 509 A HA 0.271 4.559 4.320 -0.053 0.000 0.309 509 A C -0.443 177.017 177.584 -0.206 0.000 1.226 509 A CA -0.440 51.666 52.037 0.115 0.000 0.853 509 A CB 0.399 19.411 19.000 0.020 0.000 1.146 509 A HN 0.330 nan 8.150 nan 0.000 0.518 510 D N 3.701 123.767 120.400 -0.557 0.000 2.338 510 D HA 0.209 4.817 4.640 -0.053 0.000 0.255 510 D C -1.596 174.243 176.300 -0.769 0.000 1.237 510 D CA -1.587 51.596 54.000 -1.362 0.000 0.883 510 D CB 1.261 41.567 40.800 -0.824 0.000 1.087 510 D HN 0.172 nan 8.370 nan 0.000 0.485 511 P HA -0.078 nan 4.420 nan 0.000 0.219 511 P C 0.427 177.563 177.300 -0.273 0.000 1.146 511 P CA 0.784 63.642 63.100 -0.402 0.000 0.808 511 P CB 0.363 31.857 31.700 -0.343 0.000 0.779 512 D N -1.449 118.768 120.400 -0.306 0.000 2.349 512 D HA -0.026 4.582 4.640 -0.053 0.000 0.224 512 D C 0.255 176.483 176.300 -0.120 0.000 1.029 512 D CA 0.770 54.672 54.000 -0.163 0.000 0.879 512 D CB -0.148 40.581 40.800 -0.118 0.000 0.906 512 D HN 0.200 nan 8.370 nan 0.000 0.528 513 D N 0.761 121.074 120.400 -0.145 0.000 2.349 513 D HA 0.063 4.671 4.640 -0.053 0.000 0.232 513 D C 1.343 177.628 176.300 -0.025 0.000 1.071 513 D CA -0.470 53.486 54.000 -0.074 0.000 0.832 513 D CB 1.091 41.846 40.800 -0.074 0.000 1.086 513 D HN 0.039 nan 8.370 nan 0.000 0.504 514 R N 2.182 122.685 120.500 0.005 0.000 2.293 514 R HA 0.013 4.321 4.340 -0.053 0.000 0.219 514 R C 1.362 177.754 176.300 0.153 0.000 1.091 514 R CA 0.883 57.017 56.100 0.058 0.000 1.004 514 R CB -0.126 30.186 30.300 0.020 0.000 0.865 514 R HN 0.285 nan 8.270 nan 0.000 0.469 515 G N 0.412 109.282 108.800 0.117 0.000 3.141 515 G HA2 0.184 4.112 3.960 -0.053 0.000 0.218 515 G HA3 0.184 4.112 3.960 -0.053 0.000 0.218 515 G C 0.135 175.215 174.900 0.300 0.000 1.170 515 G CA -0.425 44.786 45.100 0.186 0.000 0.769 515 G HN 0.128 nan 8.290 nan 0.000 0.546 516 M N 0.919 120.633 119.600 0.190 0.000 2.190 516 M HA 0.488 4.936 4.480 -0.053 0.000 0.312 516 M C -1.459 174.752 176.300 -0.149 0.000 0.990 516 M CA -0.736 54.580 55.300 0.027 0.000 0.927 516 M CB 2.646 35.229 32.600 -0.028 0.000 1.571 516 M HN -0.020 nan 8.290 nan 0.000 0.427 517 L N 2.833 123.813 121.223 -0.404 0.000 2.342 517 L HA 0.602 4.910 4.340 -0.053 0.000 0.271 517 L C -1.306 175.388 176.870 -0.294 0.000 1.008 517 L CA -0.008 54.486 54.840 -0.578 0.000 0.818 517 L CB 1.947 43.189 42.059 -1.361 0.000 1.296 517 L HN 0.485 nan 8.230 nan 0.000 0.427 518 D N 3.920 124.204 120.400 -0.192 0.000 2.414 518 D HA 0.499 5.108 4.640 -0.053 0.000 0.232 518 D C -0.533 175.739 176.300 -0.046 0.000 1.070 518 D CA 0.072 54.027 54.000 -0.075 0.000 0.839 518 D CB 0.767 41.555 40.800 -0.020 0.000 1.079 518 D HN 0.530 nan 8.370 nan 0.000 0.521 519 I N -1.015 119.543 120.570 -0.020 0.000 3.067 519 I HA 0.628 4.766 4.170 -0.053 0.000 0.312 519 I C -0.703 175.481 176.117 0.112 0.000 1.073 519 I CA -1.062 60.258 61.300 0.035 0.000 1.016 519 I CB 1.938 39.945 38.000 0.012 0.000 1.227 519 I HN 0.286 nan 8.210 nan 0.000 0.456 520 C N 2.926 122.325 119.300 0.166 0.000 2.358 520 C HA 0.812 5.240 4.460 -0.053 0.000 0.342 520 C C 0.908 176.076 174.990 0.297 0.000 1.234 520 C CA 0.020 59.188 59.018 0.251 0.000 1.969 520 C CB 0.108 27.979 27.740 0.218 0.000 2.346 520 C HN 1.017 nan 8.230 nan 0.000 0.525 521 G N 3.188 112.278 108.800 0.483 0.000 2.467 521 G HA2 0.448 4.376 3.960 -0.053 0.000 0.257 521 G HA3 0.448 4.376 3.960 -0.053 0.000 0.257 521 G C -0.172 175.002 174.900 0.456 0.000 1.227 521 G CA -0.075 45.375 45.100 0.583 0.000 0.835 521 G HN 1.147 nan 8.290 nan 0.000 0.556 522 F N -0.356 119.776 119.950 0.303 0.000 3.071 522 F HA -0.165 4.327 4.527 -0.057 0.000 0.295 522 F C 0.399 176.293 175.800 0.157 0.000 0.919 522 F CA 0.977 59.120 58.000 0.240 0.000 1.050 522 F CB -0.698 38.408 39.000 0.175 0.000 1.040 522 F HN 0.558 nan 8.300 nan 0.000 0.692 523 D N 0.177 120.726 120.400 0.248 0.000 2.329 523 D HA 0.356 4.964 4.640 -0.053 0.000 0.232 523 D C 0.983 177.367 176.300 0.141 0.000 1.088 523 D CA 0.296 54.413 54.000 0.196 0.000 0.835 523 D CB 1.316 42.217 40.800 0.169 0.000 1.078 523 D HN 0.101 nan 8.370 nan 0.000 0.495 524 S N 1.836 117.568 115.700 0.054 0.000 2.493 524 S HA -0.056 4.382 4.470 -0.053 0.000 0.243 524 S C 1.691 176.316 174.600 0.041 0.000 0.991 524 S CA 0.509 58.648 58.200 -0.103 0.000 0.957 524 S CB -0.018 62.980 63.200 -0.336 0.000 0.756 524 S HN 0.536 nan 8.310 nan 0.000 0.521 525 G N 0.180 108.965 108.800 -0.024 0.000 3.126 525 G HA2 0.491 4.419 3.960 -0.053 0.000 0.224 525 G HA3 0.491 4.419 3.960 -0.053 0.000 0.224 525 G C 1.256 176.157 174.900 0.002 0.000 1.142 525 G CA 0.206 45.277 45.100 -0.048 0.000 0.759 525 G HN 0.554 nan 8.290 nan 0.000 0.550 526 A N 1.005 123.858 122.820 0.055 0.000 1.927 526 A HA -0.118 4.171 4.320 -0.053 0.000 0.220 526 A C 2.268 179.872 177.584 0.035 0.000 1.185 526 A CA 1.447 53.523 52.037 0.064 0.000 0.639 526 A CB -0.380 18.680 19.000 0.101 0.000 0.820 526 A HN 0.335 nan 8.150 nan 0.000 0.451 527 L N -0.152 121.075 121.223 0.007 0.000 2.043 527 L HA -0.206 4.102 4.340 -0.053 0.000 0.212 527 L C 2.017 178.897 176.870 0.016 0.000 1.075 527 L CA 2.425 57.255 54.840 -0.017 0.000 0.752 527 L CB -0.930 41.101 42.059 -0.048 0.000 0.891 527 L HN 0.435 nan 8.230 nan 0.000 0.432 528 D N -1.471 118.940 120.400 0.019 0.000 2.144 528 D HA -0.117 4.491 4.640 -0.053 0.000 0.200 528 D C 2.182 178.515 176.300 0.054 0.000 0.978 528 D CA 1.182 55.199 54.000 0.029 0.000 0.833 528 D CB 0.205 41.012 40.800 0.011 0.000 0.961 528 D HN 0.182 nan 8.370 nan 0.000 0.470 529 V N 0.311 120.257 119.914 0.054 0.000 2.358 529 V HA -0.192 3.896 4.120 -0.053 0.000 0.246 529 V C 2.460 178.626 176.094 0.121 0.000 1.047 529 V CA 1.145 63.491 62.300 0.078 0.000 1.035 529 V CB -0.703 31.155 31.823 0.059 0.000 0.658 529 V HN 0.205 nan 8.190 nan 0.000 0.452 530 I N 0.194 120.830 120.570 0.110 0.000 2.286 530 I HA -0.237 3.901 4.170 -0.053 0.000 0.248 530 I C 2.855 179.108 176.117 0.226 0.000 1.115 530 I CA 2.018 63.419 61.300 0.167 0.000 1.392 530 I CB -0.394 37.686 38.000 0.134 0.000 1.065 530 I HN 0.251 nan 8.210 nan 0.000 0.418 531 R N 1.292 121.887 120.500 0.159 0.000 2.062 531 R HA -0.163 4.146 4.340 -0.053 0.000 0.231 531 R C 2.195 178.579 176.300 0.141 0.000 1.136 531 R CA 1.794 57.985 56.100 0.151 0.000 0.948 531 R CB -0.175 30.181 30.300 0.094 0.000 0.845 531 R HN 0.275 nan 8.270 nan 0.000 0.430 532 N N 0.037 118.813 118.700 0.126 0.000 2.137 532 N HA -0.224 4.485 4.740 -0.053 0.000 0.190 532 N C 1.483 177.074 175.510 0.135 0.000 1.017 532 N CA 1.450 54.566 53.050 0.110 0.000 0.859 532 N CB -0.353 38.197 38.487 0.106 0.000 1.002 532 N HN 0.254 nan 8.380 nan 0.000 0.428 533 F N 1.420 121.395 119.950 0.041 0.000 2.187 533 F HA -0.079 4.417 4.527 -0.053 0.000 0.295 533 F C 2.288 178.104 175.800 0.027 0.000 1.091 533 F CA 0.982 59.001 58.000 0.031 0.000 1.308 533 F CB -0.278 38.743 39.000 0.036 0.000 1.030 533 F HN -0.071 nan 8.300 nan 0.000 0.487 534 T N 1.294 115.917 114.554 0.115 0.000 2.720 534 T HA -0.168 4.150 4.350 -0.053 0.000 0.268 534 T C 1.734 176.386 174.700 -0.080 0.000 1.037 534 T CA 1.453 63.562 62.100 0.015 0.000 1.144 534 T CB -0.452 68.505 68.868 0.148 0.000 0.864 534 T HN 0.185 nan 8.240 nan 0.000 0.444 535 L N 1.136 122.339 121.223 -0.032 0.000 2.660 535 L HA 0.115 4.423 4.340 -0.053 0.000 0.238 535 L C -0.078 176.738 176.870 -0.090 0.000 1.161 535 L CA -0.050 54.762 54.840 -0.045 0.000 0.937 535 L CB -0.458 41.601 42.059 0.001 0.000 1.122 535 L HN 0.149 nan 8.230 nan 0.000 0.435 536 D N 0.948 121.241 120.400 -0.178 0.000 2.705 536 D HA -0.163 4.445 4.640 -0.053 0.000 0.240 536 D C -0.334 175.901 176.300 -0.109 0.000 1.137 536 D CA 0.936 54.817 54.000 -0.199 0.000 0.677 536 D CB -1.034 39.673 40.800 -0.155 0.000 1.049 536 D HN 0.238 nan 8.370 nan 0.000 0.427 537 L N 0.000 121.182 121.223 -0.069 0.000 2.949 537 L HA 0.000 4.308 4.340 -0.053 0.000 0.249 537 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 537 L CB 0.000 42.067 42.059 0.014 0.000 0.961 537 L HN 0.000 nan 8.230 nan 0.000 0.502