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 2xgi_1_A DATA FIRST_RESID 3 DATA SEQUENCE VNVKGNYVQV YVMLPLDAVS VNNRFEKGDE LRAQLRKLVE AGVDGVMVDV DATA SEQUENCE WWGLVEGKGP KAYDWSAYKQ LFELVQKAGL KLQAIMSFHQ CGGNVGDAVN DATA SEQUENCE IPIPQWVRDV GTRDPDIFYT DGHGTRNIEY LTLGVDNQPL FHGRSAVQMY DATA SEQUENCE ADYMTSFREN MKEFLDAGVI VDIEVGLGPA GEMRYPSYPQ SHGWSFPGIG DATA SEQUENCE EFICYDKYLQ ADFKAAAAAV GHPEWEFPND VGQYNDTPER TQFFRDNGTY DATA SEQUENCE LSEKGRFFLA WYSNNLIKHG DRILDEANKV FLGYKVQLAI KISGIHWWYK DATA SEQUENCE VPSHAAELTA GYYNLHDRDG YRTIARMLKR HRASINFTCA EMRDSEQSSQ DATA SEQUENCE AMSAPEELVQ QVLSAGWREG LNVACENALP RYDPTAYNTI LRNARPHGIN DATA SEQUENCE QSGPPEHKLF GFTYLRLSNQ LVEGQNYANF KTFVDRMHAN LPRDPYVDPM DATA SEQUENCE APLPRSGPEI SIEMILQAAQ PKLQPFPFQE HTDLPVG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.083 176.094 -0.019 0.000 1.182 3 V CA 0.000 62.289 62.300 -0.018 0.000 1.235 3 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 4 N N 2.934 121.622 118.700 -0.020 0.000 2.812 4 N HA 0.272 5.026 4.740 0.023 0.000 0.262 4 N C -0.155 175.344 175.510 -0.019 0.000 1.241 4 N CA 0.125 53.163 53.050 -0.021 0.000 0.854 4 N CB 2.135 40.607 38.487 -0.025 0.000 1.506 4 N HN 0.651 nan 8.380 nan 0.000 0.576 5 V N 1.572 121.478 119.914 -0.013 0.000 3.633 5 V HA 0.236 4.369 4.120 0.023 0.000 0.283 5 V C 1.949 178.045 176.094 0.003 0.000 1.305 5 V CA 0.543 62.838 62.300 -0.008 0.000 1.153 5 V CB -0.313 31.507 31.823 -0.006 0.000 0.950 5 V HN 0.595 nan 8.190 nan 0.000 0.432 6 K N 1.930 122.327 120.400 -0.005 0.000 2.127 6 K HA -0.148 4.186 4.320 0.023 0.000 0.208 6 K C 1.954 178.552 176.600 -0.002 0.000 1.047 6 K CA 2.120 58.402 56.287 -0.008 0.000 0.927 6 K CB -0.766 31.707 32.500 -0.044 0.000 0.716 6 K HN 0.598 nan 8.250 nan 0.000 0.450 7 G N 0.459 109.252 108.800 -0.013 0.000 2.625 7 G HA2 -0.172 3.802 3.960 0.023 0.000 0.214 7 G HA3 -0.172 3.802 3.960 0.023 0.000 0.214 7 G C 0.976 175.881 174.900 0.008 0.000 1.132 7 G CA 0.307 45.400 45.100 -0.012 0.000 0.782 7 G HN 0.368 nan 8.290 nan 0.000 0.538 8 N N -0.523 118.190 118.700 0.022 0.000 2.446 8 N HA -0.029 4.725 4.740 0.023 0.000 0.179 8 N C 0.153 175.705 175.510 0.070 0.000 1.054 8 N CA -0.145 52.920 53.050 0.024 0.000 0.905 8 N CB 0.098 38.586 38.487 0.002 0.000 0.973 8 N HN 0.396 nan 8.380 nan 0.000 0.448 9 Y N 2.279 122.547 120.300 -0.054 0.000 2.721 9 Y HA 0.018 4.582 4.550 0.023 0.000 0.329 9 Y C -0.187 175.688 175.900 -0.042 0.000 1.211 9 Y CA -0.005 58.061 58.100 -0.056 0.000 1.512 9 Y CB 0.433 38.826 38.460 -0.113 0.000 1.249 9 Y HN -0.305 nan 8.280 nan 0.000 0.549 10 V N 7.397 127.326 119.914 0.025 0.000 2.409 10 V HA 0.225 4.359 4.120 0.023 0.000 0.291 10 V C -0.305 175.810 176.094 0.036 0.000 1.020 10 V CA -1.111 61.224 62.300 0.059 0.000 0.848 10 V CB 1.425 33.264 31.823 0.026 0.000 0.990 10 V HN 0.713 nan 8.190 nan 0.000 0.430 11 Q N 2.404 122.304 119.800 0.167 0.000 2.392 11 Q HA 0.382 4.736 4.340 0.023 0.000 0.262 11 Q C -0.801 175.322 176.000 0.204 0.000 1.003 11 Q CA -0.044 55.886 55.803 0.211 0.000 0.888 11 Q CB 1.555 30.446 28.738 0.255 0.000 1.260 11 Q HN 0.571 nan 8.270 nan 0.000 0.435 12 V N 3.402 123.383 119.914 0.111 0.000 2.444 12 V HA 0.326 4.460 4.120 0.023 0.000 0.294 12 V C -1.122 174.997 176.094 0.042 0.000 1.022 12 V CA -0.694 61.701 62.300 0.158 0.000 0.850 12 V CB 0.568 32.363 31.823 -0.047 0.000 0.992 12 V HN 0.596 nan 8.190 nan 0.000 0.426 13 Y N 2.893 123.303 120.300 0.184 0.000 2.528 13 Y HA 0.741 5.305 4.550 0.023 0.000 0.335 13 Y C 0.086 176.109 175.900 0.204 0.000 1.093 13 Y CA -0.970 57.218 58.100 0.146 0.000 1.134 13 Y CB 2.133 40.635 38.460 0.069 0.000 1.253 13 Y HN 0.341 nan 8.280 nan 0.000 0.478 14 V N 3.329 123.438 119.914 0.324 0.000 2.531 14 V HA 0.281 4.415 4.120 0.023 0.000 0.301 14 V C -0.300 175.922 176.094 0.213 0.000 1.034 14 V CA -0.992 61.488 62.300 0.301 0.000 0.865 14 V CB 1.560 33.537 31.823 0.256 0.000 0.995 14 V HN 0.718 nan 8.190 nan 0.000 0.424 15 M N 5.085 124.788 119.600 0.170 0.000 2.239 15 M HA 0.344 4.838 4.480 0.023 0.000 0.348 15 M C -0.398 175.979 176.300 0.129 0.000 1.239 15 M CA 0.541 55.908 55.300 0.112 0.000 1.114 15 M CB 0.204 32.838 32.600 0.057 0.000 1.641 15 M HN 0.497 nan 8.290 nan 0.000 0.453 16 L N 6.052 127.351 121.223 0.126 0.000 2.475 16 L HA 0.368 4.722 4.340 0.023 0.000 0.253 16 L C -1.958 175.000 176.870 0.146 0.000 1.198 16 L CA -2.009 52.916 54.840 0.140 0.000 0.814 16 L CB -0.044 42.109 42.059 0.157 0.000 1.134 16 L HN 0.539 nan 8.230 nan 0.000 0.478 17 P HA -0.000 nan 4.420 nan 0.000 0.268 17 P C 0.659 178.080 177.300 0.202 0.000 1.208 17 P CA 0.006 63.197 63.100 0.151 0.000 0.777 17 P CB 0.501 32.278 31.700 0.127 0.000 0.875 18 L N 1.241 122.592 121.223 0.213 0.000 2.191 18 L HA -0.138 4.216 4.340 0.023 0.000 0.212 18 L C 1.236 178.310 176.870 0.340 0.000 1.103 18 L CA 1.491 56.524 54.840 0.321 0.000 0.769 18 L CB -0.607 41.605 42.059 0.254 0.000 0.908 18 L HN 0.486 nan 8.230 nan 0.000 0.438 19 D N -0.647 119.877 120.400 0.207 0.000 2.738 19 D HA 0.122 4.775 4.640 0.023 0.000 0.246 19 D C 1.430 177.831 176.300 0.168 0.000 1.270 19 D CA 0.359 54.456 54.000 0.162 0.000 0.833 19 D CB 0.373 41.218 40.800 0.075 0.000 1.040 19 D HN 0.069 nan 8.370 nan 0.000 0.487 20 A N -0.075 122.880 122.820 0.225 0.000 1.948 20 A HA -0.036 4.298 4.320 0.023 0.000 0.220 20 A C 1.097 178.838 177.584 0.262 0.000 1.177 20 A CA 0.863 53.044 52.037 0.240 0.000 0.636 20 A CB -0.147 19.006 19.000 0.255 0.000 0.815 20 A HN 0.267 nan 8.150 nan 0.000 0.449 21 V N 0.753 120.779 119.914 0.187 0.000 2.483 21 V HA 0.408 4.541 4.120 0.023 0.000 0.295 21 V C 0.662 176.816 176.094 0.100 0.000 1.035 21 V CA -0.279 62.077 62.300 0.093 0.000 0.896 21 V CB 1.491 33.185 31.823 -0.215 0.000 0.986 21 V HN 0.560 nan 8.190 nan 0.000 0.447 22 S N 3.493 119.228 115.700 0.058 0.000 2.589 22 S HA 0.113 4.597 4.470 0.023 0.000 0.265 22 S C 1.358 175.968 174.600 0.017 0.000 1.342 22 S CA 0.060 58.276 58.200 0.028 0.000 1.005 22 S CB 1.328 64.532 63.200 0.006 0.000 0.909 22 S HN 1.308 nan 8.310 nan 0.000 0.555 23 V N -0.425 119.479 119.914 -0.015 0.000 3.026 23 V HA -0.071 4.062 4.120 0.023 0.000 0.265 23 V C 1.139 177.220 176.094 -0.021 0.000 1.121 23 V CA 1.512 63.786 62.300 -0.044 0.000 1.142 23 V CB -1.256 30.527 31.823 -0.066 0.000 0.730 23 V HN 0.816 nan 8.190 nan 0.000 0.503 24 N N 1.118 119.817 118.700 -0.003 0.000 2.270 24 N HA 0.050 4.803 4.740 0.023 0.000 0.198 24 N C 0.632 176.156 175.510 0.023 0.000 1.117 24 N CA 0.664 53.718 53.050 0.006 0.000 0.845 24 N CB -0.199 38.289 38.487 0.002 0.000 0.980 24 N HN 0.665 nan 8.380 nan 0.000 0.486 25 N N 1.186 119.909 118.700 0.037 0.000 2.738 25 N HA -0.194 4.560 4.740 0.023 0.000 0.249 25 N C -1.089 174.444 175.510 0.037 0.000 1.047 25 N CA 0.576 53.657 53.050 0.051 0.000 0.707 25 N CB -0.959 37.572 38.487 0.074 0.000 0.937 25 N HN 0.351 nan 8.380 nan 0.000 0.545 26 R N 0.031 120.552 120.500 0.035 0.000 2.686 26 R HA 0.439 4.792 4.340 0.023 0.000 0.286 26 R C -0.892 175.463 176.300 0.091 0.000 0.969 26 R CA -0.814 55.318 56.100 0.053 0.000 0.898 26 R CB 0.862 31.180 30.300 0.030 0.000 1.183 26 R HN 0.130 nan 8.270 nan 0.000 0.456 27 F N 3.087 123.004 119.950 -0.056 0.000 2.368 27 F HA 0.229 4.770 4.527 0.022 0.000 0.362 27 F C 0.387 176.173 175.800 -0.023 0.000 1.137 27 F CA -0.304 57.663 58.000 -0.055 0.000 1.161 27 F CB 0.577 39.540 39.000 -0.061 0.000 1.265 27 F HN 0.569 nan 8.300 nan 0.000 0.530 28 E N 3.667 123.646 120.200 -0.369 0.000 2.539 28 E HA 0.071 4.435 4.350 0.023 0.000 0.215 28 E C 0.303 176.683 176.600 -0.368 0.000 0.965 28 E CA 0.125 56.352 56.400 -0.289 0.000 1.019 28 E CB 0.597 30.216 29.700 -0.135 0.000 1.059 28 E HN 0.583 nan 8.360 nan 0.000 0.496 29 K N 0.594 120.651 120.400 -0.571 0.000 2.792 29 K HA 0.199 4.533 4.320 0.023 0.000 0.207 29 K C 1.216 177.561 176.600 -0.425 0.000 1.103 29 K CA -0.160 55.915 56.287 -0.353 0.000 1.048 29 K CB 1.150 33.550 32.500 -0.167 0.000 0.777 29 K HN 0.035 nan 8.250 nan 0.000 0.468 30 G N 1.537 109.923 108.800 -0.691 0.000 2.440 30 G HA2 -0.256 3.717 3.960 0.023 0.000 0.218 30 G HA3 -0.256 3.717 3.960 0.023 0.000 0.218 30 G C 1.022 175.888 174.900 -0.055 0.000 1.154 30 G CA 1.002 45.897 45.100 -0.340 0.000 0.767 30 G HN 0.254 nan 8.290 nan 0.000 0.552 31 D N 0.137 120.490 120.400 -0.079 0.000 2.149 31 D HA -0.064 4.590 4.640 0.023 0.000 0.201 31 D C 2.182 178.471 176.300 -0.017 0.000 0.972 31 D CA 1.002 54.987 54.000 -0.025 0.000 0.835 31 D CB -0.157 40.623 40.800 -0.033 0.000 0.966 31 D HN 0.517 nan 8.370 nan 0.000 0.476 32 E N 0.411 120.589 120.200 -0.037 0.000 2.051 32 E HA -0.176 4.188 4.350 0.023 0.000 0.192 32 E C 2.150 178.754 176.600 0.007 0.000 0.991 32 E CA 0.529 56.916 56.400 -0.021 0.000 0.799 32 E CB -0.016 29.664 29.700 -0.033 0.000 0.748 32 E HN 0.030 nan 8.360 nan 0.000 0.449 33 L N 1.381 122.620 121.223 0.027 0.000 2.046 33 L HA -0.135 4.219 4.340 0.023 0.000 0.208 33 L C 2.475 179.394 176.870 0.083 0.000 1.077 33 L CA 1.796 56.685 54.840 0.082 0.000 0.747 33 L CB -0.510 41.651 42.059 0.169 0.000 0.896 33 L HN 0.041 nan 8.230 nan 0.000 0.432 34 R N -0.627 119.922 120.500 0.082 0.000 2.091 34 R HA -0.197 4.156 4.340 0.023 0.000 0.238 34 R C 2.134 178.458 176.300 0.040 0.000 1.136 34 R CA 1.552 57.695 56.100 0.070 0.000 0.959 34 R CB -0.391 29.949 30.300 0.066 0.000 0.856 34 R HN 0.514 nan 8.270 nan 0.000 0.437 35 A N 0.555 123.388 122.820 0.021 0.000 1.898 35 A HA -0.197 4.136 4.320 0.023 0.000 0.216 35 A C 2.041 179.618 177.584 -0.011 0.000 1.181 35 A CA 1.394 53.430 52.037 -0.001 0.000 0.620 35 A CB -0.399 18.593 19.000 -0.013 0.000 0.819 35 A HN 0.499 nan 8.150 nan 0.000 0.442 36 Q N -0.351 119.449 119.800 -0.001 0.000 2.084 36 Q HA -0.055 4.298 4.340 0.023 0.000 0.202 36 Q C 2.025 178.033 176.000 0.013 0.000 0.978 36 Q CA 1.372 57.171 55.803 -0.007 0.000 0.844 36 Q CB -0.330 28.416 28.738 0.012 0.000 0.898 36 Q HN 0.667 nan 8.270 nan 0.000 0.426 37 L N 0.205 121.452 121.223 0.039 0.000 2.131 37 L HA -0.170 4.183 4.340 0.023 0.000 0.210 37 L C 2.444 179.343 176.870 0.049 0.000 1.092 37 L CA 1.001 55.874 54.840 0.055 0.000 0.759 37 L CB -0.397 41.702 42.059 0.067 0.000 0.903 37 L HN 0.199 nan 8.230 nan 0.000 0.435 38 R N 0.102 120.621 120.500 0.032 0.000 2.091 38 R HA -0.161 4.192 4.340 0.023 0.000 0.238 38 R C 2.325 178.645 176.300 0.033 0.000 1.136 38 R CA 1.142 57.259 56.100 0.028 0.000 0.959 38 R CB -0.197 30.109 30.300 0.011 0.000 0.856 38 R HN 0.257 nan 8.270 nan 0.000 0.437 39 K N 0.793 121.190 120.400 -0.005 0.000 2.097 39 K HA -0.090 4.244 4.320 0.023 0.000 0.206 39 K C 2.153 178.859 176.600 0.177 0.000 1.049 39 K CA 1.079 57.350 56.287 -0.027 0.000 0.933 39 K CB -0.342 32.010 32.500 -0.248 0.000 0.717 39 K HN 0.261 nan 8.250 nan 0.000 0.442 40 L N 0.596 121.906 121.223 0.145 0.000 2.093 40 L HA -0.138 4.216 4.340 0.023 0.000 0.208 40 L C 2.411 179.385 176.870 0.172 0.000 1.085 40 L CA 0.766 55.728 54.840 0.204 0.000 0.755 40 L CB -0.591 41.555 42.059 0.144 0.000 0.904 40 L HN -0.121 nan 8.230 nan 0.000 0.435 41 V N 0.010 119.993 119.914 0.116 0.000 2.427 41 V HA -0.265 3.869 4.120 0.023 0.000 0.248 41 V C 2.484 178.636 176.094 0.097 0.000 1.051 41 V CA 1.816 64.168 62.300 0.087 0.000 1.048 41 V CB -0.468 31.391 31.823 0.061 0.000 0.666 41 V HN 0.514 nan 8.190 nan 0.000 0.456 42 E N 0.604 120.879 120.200 0.125 0.000 2.160 42 E HA -0.230 4.133 4.350 0.023 0.000 0.195 42 E C 2.003 178.689 176.600 0.143 0.000 0.991 42 E CA 1.409 57.893 56.400 0.141 0.000 0.810 42 E CB -0.135 29.677 29.700 0.185 0.000 0.742 42 E HN 0.591 nan 8.360 nan 0.000 0.466 43 A N -0.157 122.772 122.820 0.181 0.000 2.208 43 A HA 0.240 4.574 4.320 0.023 0.000 0.209 43 A C 1.687 179.253 177.584 -0.030 0.000 1.161 43 A CA 0.931 53.005 52.037 0.062 0.000 0.782 43 A CB -0.189 18.912 19.000 0.168 0.000 0.816 43 A HN 0.473 nan 8.150 nan 0.000 0.477 44 G N -1.286 107.533 108.800 0.032 0.000 2.132 44 G HA2 -0.186 3.788 3.960 0.023 0.000 0.234 44 G HA3 -0.186 3.788 3.960 0.023 0.000 0.234 44 G C 0.196 175.138 174.900 0.070 0.000 0.989 44 G CA 0.047 45.175 45.100 0.045 0.000 0.676 44 G HN 0.724 nan 8.290 nan 0.000 0.522 45 V N 1.146 121.087 119.914 0.046 0.000 2.763 45 V HA 0.084 4.217 4.120 0.023 0.000 0.306 45 V C 1.570 177.653 176.094 -0.019 0.000 1.059 45 V CA 0.919 63.235 62.300 0.027 0.000 1.138 45 V CB 1.017 32.910 31.823 0.117 0.000 0.940 45 V HN 0.400 nan 8.190 nan 0.000 0.489 46 D N 2.630 122.952 120.400 -0.129 0.000 2.162 46 D HA 0.137 4.791 4.640 0.023 0.000 0.203 46 D C 0.731 176.780 176.300 -0.419 0.000 0.967 46 D CA 1.452 55.292 54.000 -0.265 0.000 0.840 46 D CB 0.679 41.266 40.800 -0.355 0.000 0.972 46 D HN 0.756 nan 8.370 nan 0.000 0.482 47 G N -0.238 108.227 108.800 -0.559 0.000 2.428 47 G HA2 0.415 4.389 3.960 0.023 0.000 0.304 47 G HA3 0.415 4.389 3.960 0.023 0.000 0.304 47 G C -1.448 173.469 174.900 0.028 0.000 1.303 47 G CA -0.195 44.743 45.100 -0.270 0.000 0.825 47 G HN 0.089 nan 8.290 nan 0.000 0.484 48 V N -2.693 117.354 119.914 0.222 0.000 3.074 48 V HA 0.932 5.065 4.120 0.023 0.000 0.314 48 V C -0.296 175.927 176.094 0.215 0.000 1.117 48 V CA -1.078 61.356 62.300 0.222 0.000 1.014 48 V CB 1.994 33.895 31.823 0.130 0.000 1.057 48 V HN 1.081 nan 8.190 nan 0.000 0.438 49 M N 2.624 122.308 119.600 0.139 0.000 2.465 49 M HA 0.854 5.348 4.480 0.023 0.000 0.316 49 M C -1.787 174.537 176.300 0.040 0.000 1.121 49 M CA -0.712 54.611 55.300 0.039 0.000 0.934 49 M CB 2.038 34.635 32.600 -0.004 0.000 1.692 49 M HN 0.849 nan 8.290 nan 0.000 0.444 50 V N 3.768 123.686 119.914 0.007 0.000 2.932 50 V HA 0.412 4.546 4.120 0.023 0.000 0.307 50 V C -1.361 174.689 176.094 -0.073 0.000 1.147 50 V CA -0.729 61.598 62.300 0.044 0.000 0.951 50 V CB 2.551 34.480 31.823 0.177 0.000 1.031 50 V HN 0.887 nan 8.190 nan 0.000 0.426 51 D N 3.810 124.097 120.400 -0.189 0.000 2.417 51 D HA 0.213 4.866 4.640 0.023 0.000 0.250 51 D C -0.378 175.613 176.300 -0.515 0.000 1.166 51 D CA 0.320 53.956 54.000 -0.606 0.000 0.881 51 D CB 1.855 41.863 40.800 -1.320 0.000 1.164 51 D HN 0.329 nan 8.370 nan 0.000 0.467 52 V N 4.088 123.678 119.914 -0.539 0.000 2.259 52 V HA 0.116 4.249 4.120 0.023 0.000 0.267 52 V C -0.264 175.654 176.094 -0.292 0.000 1.051 52 V CA -0.889 61.091 62.300 -0.534 0.000 0.830 52 V CB -0.152 31.418 31.823 -0.423 0.000 1.080 52 V HN 0.438 nan 8.190 nan 0.000 0.467 53 W N 3.551 124.904 121.300 0.088 0.000 2.356 53 W HA 0.175 4.848 4.660 0.022 0.000 0.311 53 W C 0.997 177.628 176.519 0.186 0.000 1.328 53 W CA -0.302 57.099 57.345 0.094 0.000 1.251 53 W CB 0.539 30.080 29.460 0.136 0.000 1.280 53 W HN 0.743 nan 8.180 nan 0.000 0.524 54 W N 3.209 124.552 121.300 0.071 0.000 2.338 54 W HA -0.167 4.506 4.660 0.022 0.000 0.304 54 W C 1.928 178.526 176.519 0.131 0.000 1.212 54 W CA 2.308 59.623 57.345 -0.051 0.000 1.264 54 W CB -0.916 28.447 29.460 -0.162 0.000 1.142 54 W HN 0.431 nan 8.180 nan 0.000 0.512 55 G N 0.304 109.183 108.800 0.132 0.000 2.443 55 G HA2 -0.191 3.783 3.960 0.023 0.000 0.219 55 G HA3 -0.191 3.783 3.960 0.023 0.000 0.219 55 G C 1.605 176.527 174.900 0.036 0.000 1.131 55 G CA 1.082 46.134 45.100 -0.079 0.000 0.775 55 G HN 0.334 nan 8.290 nan 0.000 0.547 56 L N -0.142 121.197 121.223 0.193 0.000 2.084 56 L HA 0.021 4.374 4.340 0.023 0.000 0.202 56 L C 2.886 179.870 176.870 0.190 0.000 1.074 56 L CA 0.387 55.348 54.840 0.203 0.000 0.757 56 L CB -0.475 41.785 42.059 0.335 0.000 0.918 56 L HN 0.062 nan 8.230 nan 0.000 0.444 57 V N -0.557 119.506 119.914 0.248 0.000 2.407 57 V HA -0.182 3.951 4.120 0.023 0.000 0.245 57 V C 1.713 177.887 176.094 0.133 0.000 1.041 57 V CA 1.388 63.731 62.300 0.072 0.000 1.040 57 V CB -0.227 31.480 31.823 -0.193 0.000 0.671 57 V HN 0.390 nan 8.190 nan 0.000 0.455 58 E N -0.055 120.342 120.200 0.329 0.000 2.499 58 E HA 0.187 4.550 4.350 0.023 0.000 0.207 58 E C 1.770 178.523 176.600 0.255 0.000 1.034 58 E CA 0.249 56.846 56.400 0.327 0.000 1.098 58 E CB 0.272 30.371 29.700 0.665 0.000 1.148 58 E HN 0.525 nan 8.360 nan 0.000 0.447 59 G N 1.078 109.961 108.800 0.139 0.000 2.443 59 G HA2 -0.259 3.714 3.960 0.023 0.000 0.219 59 G HA3 -0.259 3.714 3.960 0.023 0.000 0.219 59 G C 1.484 176.500 174.900 0.194 0.000 1.131 59 G CA 0.445 45.612 45.100 0.112 0.000 0.775 59 G HN 0.195 nan 8.290 nan 0.000 0.547 60 K N -0.226 120.241 120.400 0.112 0.000 2.057 60 K HA 0.226 4.560 4.320 0.023 0.000 0.206 60 K C 1.060 177.632 176.600 -0.047 0.000 1.050 60 K CA 1.051 57.357 56.287 0.031 0.000 0.935 60 K CB -0.076 32.405 32.500 -0.033 0.000 0.715 60 K HN 0.378 nan 8.250 nan 0.000 0.439 61 G N -0.423 108.241 108.800 -0.227 0.000 2.328 61 G HA2 0.173 4.146 3.960 0.023 0.000 0.295 61 G HA3 0.173 4.146 3.960 0.023 0.000 0.295 61 G C -3.124 171.194 174.900 -0.971 0.000 1.413 61 G CA -1.176 43.428 45.100 -0.828 0.000 0.817 61 G HN -0.183 nan 8.290 nan 0.000 0.546 62 P HA 0.218 nan 4.420 nan 0.000 0.263 62 P C 0.077 177.103 177.300 -0.458 0.000 1.195 62 P CA 0.517 63.112 63.100 -0.842 0.000 0.762 62 P CB 0.389 31.672 31.700 -0.695 0.000 0.799 63 K N 1.021 121.161 120.400 -0.433 0.000 3.349 63 K HA -0.225 4.108 4.320 0.023 0.000 0.310 63 K C 0.278 176.488 176.600 -0.650 0.000 1.267 63 K CA 0.948 56.846 56.287 -0.648 0.000 0.920 63 K CB -2.105 30.295 32.500 -0.166 0.000 1.240 63 K HN 0.563 nan 8.250 nan 0.000 0.453 64 A N 1.204 123.717 122.820 -0.511 0.000 3.135 64 A HA 0.302 4.636 4.320 0.023 0.000 0.253 64 A C -0.382 177.077 177.584 -0.208 0.000 1.638 64 A CA -0.295 51.578 52.037 -0.273 0.000 1.295 64 A CB -0.519 18.365 19.000 -0.194 0.000 1.106 64 A HN 0.241 nan 8.150 nan 0.000 0.648 65 Y N 0.366 120.665 120.300 -0.001 0.000 2.442 65 Y HA 0.282 4.846 4.550 0.022 0.000 0.330 65 Y C 0.622 176.376 175.900 -0.243 0.000 1.129 65 Y CA -0.210 57.782 58.100 -0.179 0.000 1.365 65 Y CB 0.562 38.908 38.460 -0.190 0.000 1.233 65 Y HN 0.445 nan 8.280 nan 0.000 0.529 66 D N 3.251 123.535 120.400 -0.194 0.000 2.446 66 D HA 0.148 4.801 4.640 0.023 0.000 0.251 66 D C -0.738 175.493 176.300 -0.115 0.000 1.137 66 D CA -0.751 53.201 54.000 -0.081 0.000 0.890 66 D CB 0.081 40.879 40.800 -0.004 0.000 1.071 66 D HN 0.595 nan 8.370 nan 0.000 0.528 67 W N 2.246 123.634 121.300 0.148 0.000 3.290 67 W HA 0.076 4.749 4.660 0.023 0.000 0.287 67 W C 2.094 178.651 176.519 0.064 0.000 1.288 67 W CA -0.399 57.011 57.345 0.109 0.000 1.725 67 W CB 0.307 29.784 29.460 0.028 0.000 1.103 67 W HN 0.265 nan 8.180 nan 0.000 0.670 68 S N 1.276 117.110 115.700 0.225 0.000 2.359 68 S HA -0.302 4.182 4.470 0.023 0.000 0.223 68 S C 2.140 176.788 174.600 0.080 0.000 1.039 68 S CA 1.871 60.154 58.200 0.139 0.000 1.042 68 S CB -0.843 62.419 63.200 0.104 0.000 0.915 68 S HN 0.352 nan 8.310 nan 0.000 0.439 69 A N 0.383 123.232 122.820 0.048 0.000 1.898 69 A HA -0.060 4.274 4.320 0.023 0.000 0.216 69 A C 1.954 179.376 177.584 -0.270 0.000 1.181 69 A CA 1.384 53.386 52.037 -0.058 0.000 0.620 69 A CB -0.977 17.973 19.000 -0.083 0.000 0.819 69 A HN 0.533 nan 8.150 nan 0.000 0.442 70 Y N 0.419 120.644 120.300 -0.124 0.000 2.224 70 Y HA -0.161 4.402 4.550 0.022 0.000 0.289 70 Y C 2.413 177.882 175.900 -0.719 0.000 1.146 70 Y CA 1.794 59.627 58.100 -0.445 0.000 1.182 70 Y CB -0.142 38.113 38.460 -0.342 0.000 0.983 70 Y HN 0.245 nan 8.280 nan 0.000 0.524 71 K N -0.040 120.227 120.400 -0.221 0.000 2.097 71 K HA -0.224 4.109 4.320 0.023 0.000 0.206 71 K C 1.992 178.533 176.600 -0.098 0.000 1.049 71 K CA 1.587 57.806 56.287 -0.113 0.000 0.933 71 K CB -0.242 32.320 32.500 0.104 0.000 0.717 71 K HN 0.482 nan 8.250 nan 0.000 0.442 72 Q N 0.582 120.291 119.800 -0.153 0.000 2.084 72 Q HA -0.116 4.237 4.340 0.023 0.000 0.202 72 Q C 2.150 177.864 176.000 -0.477 0.000 0.978 72 Q CA 0.850 56.548 55.803 -0.176 0.000 0.844 72 Q CB -0.086 28.617 28.738 -0.058 0.000 0.898 72 Q HN 0.231 nan 8.270 nan 0.000 0.426 73 L N 0.140 120.856 121.223 -0.845 0.000 2.012 73 L HA -0.177 4.176 4.340 0.023 0.000 0.210 73 L C 2.017 178.765 176.870 -0.204 0.000 1.073 73 L CA 1.945 56.287 54.840 -0.830 0.000 0.748 73 L CB -0.718 40.967 42.059 -0.624 0.000 0.891 73 L HN 0.211 nan 8.230 nan 0.000 0.431 74 F N 0.795 120.484 119.950 -0.435 0.000 2.186 74 F HA -0.149 4.391 4.527 0.022 0.000 0.299 74 F C 2.722 178.227 175.800 -0.492 0.000 1.090 74 F CA 1.091 58.716 58.000 -0.625 0.000 1.307 74 F CB -1.030 37.216 39.000 -1.258 0.000 1.019 74 F HN 0.324 nan 8.300 nan 0.000 0.489 75 E N 0.306 120.483 120.200 -0.038 0.000 2.085 75 E HA -0.239 4.125 4.350 0.023 0.000 0.194 75 E C 2.278 178.943 176.600 0.108 0.000 0.994 75 E CA 0.963 57.485 56.400 0.202 0.000 0.801 75 E CB -0.247 29.597 29.700 0.240 0.000 0.743 75 E HN 0.240 nan 8.360 nan 0.000 0.453 76 L N 0.380 121.631 121.223 0.046 0.000 2.046 76 L HA -0.161 4.193 4.340 0.023 0.000 0.208 76 L C 2.325 179.234 176.870 0.066 0.000 1.077 76 L CA 1.304 56.191 54.840 0.078 0.000 0.747 76 L CB -0.437 41.692 42.059 0.117 0.000 0.896 76 L HN 0.058 nan 8.230 nan 0.000 0.432 77 V N -0.600 119.334 119.914 0.033 0.000 2.343 77 V HA -0.339 3.794 4.120 0.023 0.000 0.247 77 V C 2.519 178.628 176.094 0.026 0.000 1.051 77 V CA 1.990 64.303 62.300 0.021 0.000 1.036 77 V CB -0.693 31.116 31.823 -0.022 0.000 0.654 77 V HN 0.637 nan 8.190 nan 0.000 0.451 78 Q N 0.249 120.075 119.800 0.043 0.000 2.084 78 Q HA -0.246 4.107 4.340 0.023 0.000 0.202 78 Q C 2.200 178.245 176.000 0.074 0.000 0.978 78 Q CA 1.771 57.625 55.803 0.085 0.000 0.844 78 Q CB -0.087 28.769 28.738 0.197 0.000 0.898 78 Q HN 0.576 nan 8.270 nan 0.000 0.426 79 K N -0.473 119.976 120.400 0.082 0.000 2.442 79 K HA -0.023 4.311 4.320 0.023 0.000 0.198 79 K C 1.533 178.165 176.600 0.053 0.000 1.042 79 K CA 0.669 56.996 56.287 0.068 0.000 0.958 79 K CB 0.134 32.680 32.500 0.076 0.000 0.766 79 K HN 0.219 nan 8.250 nan 0.000 0.474 80 A N 0.364 123.215 122.820 0.051 0.000 2.251 80 A HA 0.198 4.532 4.320 0.023 0.000 0.209 80 A C 1.374 178.976 177.584 0.030 0.000 1.187 80 A CA 0.675 52.737 52.037 0.043 0.000 0.823 80 A CB -0.201 18.829 19.000 0.049 0.000 0.846 80 A HN 0.355 nan 8.150 nan 0.000 0.486 81 G N -1.145 107.669 108.800 0.023 0.000 2.143 81 G HA2 -0.217 3.757 3.960 0.023 0.000 0.248 81 G HA3 -0.217 3.757 3.960 0.023 0.000 0.248 81 G C 0.012 174.907 174.900 -0.007 0.000 0.991 81 G CA 0.472 45.575 45.100 0.005 0.000 0.689 81 G HN 0.446 nan 8.290 nan 0.000 0.522 82 L N -0.226 120.998 121.223 0.002 0.000 2.343 82 L HA 0.539 4.893 4.340 0.023 0.000 0.275 82 L C 0.975 177.841 176.870 -0.007 0.000 1.056 82 L CA -0.980 53.855 54.840 -0.009 0.000 0.804 82 L CB 1.233 43.297 42.059 0.008 0.000 1.203 82 L HN 0.036 nan 8.230 nan 0.000 0.440 83 K N 1.922 122.320 120.400 -0.003 0.000 2.120 83 K HA 0.596 4.929 4.320 0.023 0.000 0.245 83 K C -0.956 175.706 176.600 0.104 0.000 1.024 83 K CA -0.439 55.885 56.287 0.060 0.000 0.906 83 K CB 1.051 33.637 32.500 0.145 0.000 1.051 83 K HN 0.332 nan 8.250 nan 0.000 0.491 84 L N 0.841 122.104 121.223 0.067 0.000 2.464 84 L HA 0.229 4.583 4.340 0.023 0.000 0.266 84 L C -1.589 175.229 176.870 -0.087 0.000 0.965 84 L CA -0.396 54.425 54.840 -0.031 0.000 0.833 84 L CB 1.963 43.863 42.059 -0.265 0.000 1.296 84 L HN 0.560 nan 8.230 nan 0.000 0.405 85 Q N 4.048 123.785 119.800 -0.106 0.000 2.325 85 Q HA 0.692 5.046 4.340 0.023 0.000 0.262 85 Q C -0.691 175.199 176.000 -0.183 0.000 0.968 85 Q CA -0.623 55.062 55.803 -0.197 0.000 0.877 85 Q CB 2.096 30.661 28.738 -0.287 0.000 1.253 85 Q HN 0.680 nan 8.270 nan 0.000 0.448 86 A N 4.128 126.819 122.820 -0.216 0.000 2.271 86 A HA 0.544 4.877 4.320 0.023 0.000 0.317 86 A C -0.401 177.009 177.584 -0.291 0.000 1.245 86 A CA -0.657 51.251 52.037 -0.215 0.000 0.857 86 A CB 0.323 19.217 19.000 -0.176 0.000 1.175 86 A HN 0.782 nan 8.150 nan 0.000 0.512 87 I N 3.535 123.940 120.570 -0.276 0.000 2.342 87 I HA 0.154 4.338 4.170 0.023 0.000 0.291 87 I C 0.073 175.946 176.117 -0.406 0.000 1.010 87 I CA -0.322 60.794 61.300 -0.307 0.000 1.308 87 I CB 1.194 39.033 38.000 -0.268 0.000 1.400 87 I HN 0.506 nan 8.210 nan 0.000 0.488 88 M N 5.289 124.630 119.600 -0.431 0.000 2.618 88 M HA 0.120 4.614 4.480 0.023 0.000 0.322 88 M C -0.013 175.813 176.300 -0.790 0.000 1.471 88 M CA 0.349 55.273 55.300 -0.626 0.000 1.450 88 M CB -0.445 31.835 32.600 -0.533 0.000 1.444 88 M HN 0.420 nan 8.290 nan 0.000 0.471 89 S N 3.460 118.747 115.700 -0.688 0.000 2.955 89 S HA 0.300 4.784 4.470 0.023 0.000 0.294 89 S C 0.321 174.728 174.600 -0.321 0.000 1.198 89 S CA -0.433 57.485 58.200 -0.470 0.000 1.008 89 S CB -0.502 62.174 63.200 -0.873 0.000 1.279 89 S HN 0.391 nan 8.310 nan 0.000 0.508 90 F N 3.596 123.583 119.950 0.062 0.000 2.757 90 F HA 0.179 4.719 4.527 0.022 0.000 0.292 90 F C 1.465 177.564 175.800 0.498 0.000 1.204 90 F CA -0.461 57.583 58.000 0.072 0.000 1.417 90 F CB -0.376 38.336 39.000 -0.480 0.000 1.001 90 F HN 0.553 nan 8.300 nan 0.000 0.508 91 H N -1.733 117.669 119.070 0.555 0.000 2.946 91 H HA 0.365 4.934 4.556 0.023 0.000 0.365 91 H C -0.875 174.721 175.328 0.446 0.000 1.197 91 H CA -1.249 55.116 56.048 0.528 0.000 1.131 91 H CB 0.947 30.960 29.762 0.417 0.000 1.849 91 H HN 0.140 nan 8.280 nan 0.000 0.555 92 Q N 0.939 120.944 119.800 0.341 0.000 2.314 92 Q HA 0.269 4.622 4.340 0.023 0.000 0.258 92 Q C -0.735 175.308 176.000 0.071 0.000 0.954 92 Q CA -0.496 55.366 55.803 0.098 0.000 0.890 92 Q CB 0.712 29.490 28.738 0.067 0.000 1.210 92 Q HN 0.593 nan 8.270 nan 0.000 0.410 93 C N 4.418 123.512 119.300 -0.343 0.000 2.415 93 C HA 0.797 5.271 4.460 0.023 0.000 0.369 93 C C 0.335 175.225 174.990 -0.167 0.000 1.279 93 C CA 1.159 59.946 59.018 -0.386 0.000 1.886 93 C CB -1.235 25.831 27.740 -1.123 0.000 2.468 93 C HN 1.008 nan 8.230 nan 0.000 0.553 94 G N 3.959 112.749 108.800 -0.017 0.000 3.069 94 G HA2 0.467 4.441 3.960 0.023 0.000 0.686 94 G HA3 0.467 4.441 3.960 0.023 0.000 0.686 94 G C 0.405 175.334 174.900 0.048 0.000 1.161 94 G CA 0.184 45.286 45.100 0.004 0.000 0.804 94 G HN 2.409 nan 8.290 nan 0.000 0.608 95 G N 1.140 109.990 108.800 0.082 0.000 2.352 95 G HA2 -0.177 3.797 3.960 0.023 0.000 0.204 95 G HA3 -0.177 3.797 3.960 0.023 0.000 0.204 95 G C 0.249 175.226 174.900 0.128 0.000 1.004 95 G CA 0.626 45.807 45.100 0.136 0.000 0.648 95 G HN 1.162 nan 8.290 nan 0.000 0.491 96 N N -0.103 118.657 118.700 0.100 0.000 2.483 96 N HA 0.481 5.235 4.740 0.023 0.000 0.285 96 N C 0.047 175.621 175.510 0.107 0.000 1.210 96 N CA -0.083 53.026 53.050 0.099 0.000 0.931 96 N CB 2.373 40.903 38.487 0.072 0.000 1.220 96 N HN 0.306 nan 8.380 nan 0.000 0.542 97 V N 0.945 120.933 119.914 0.124 0.000 2.509 97 V HA 0.194 4.328 4.120 0.023 0.000 0.297 97 V C 1.134 177.269 176.094 0.068 0.000 1.014 97 V CA 1.575 63.932 62.300 0.095 0.000 1.127 97 V CB -0.624 31.256 31.823 0.095 0.000 0.925 97 V HN 0.973 nan 8.190 nan 0.000 0.480 98 G N 4.669 113.499 108.800 0.049 0.000 2.132 98 G HA2 -0.197 3.777 3.960 0.023 0.000 0.234 98 G HA3 -0.197 3.777 3.960 0.023 0.000 0.234 98 G C 0.250 175.184 174.900 0.056 0.000 0.989 98 G CA 0.296 45.420 45.100 0.041 0.000 0.676 98 G HN 0.814 nan 8.290 nan 0.000 0.522 99 D N 0.490 120.926 120.400 0.059 0.000 2.338 99 D HA 0.481 5.135 4.640 0.023 0.000 0.239 99 D C 1.876 178.203 176.300 0.045 0.000 1.095 99 D CA 1.861 55.901 54.000 0.067 0.000 0.888 99 D CB -0.157 40.684 40.800 0.069 0.000 0.899 99 D HN 1.477 nan 8.370 nan 0.000 0.525 100 A N -0.943 121.899 122.820 0.038 0.000 5.584 100 A HA -0.319 4.014 4.320 0.023 0.000 0.303 100 A C 0.557 178.141 177.584 -0.000 0.000 1.923 100 A CA 0.671 52.723 52.037 0.025 0.000 0.717 100 A CB -1.521 17.504 19.000 0.042 0.000 1.281 100 A HN 0.520 nan 8.150 nan 0.000 0.379 101 V N -0.138 119.768 119.914 -0.013 0.000 3.299 101 V HA -0.085 4.048 4.120 0.023 0.000 0.255 101 V C 0.327 176.361 176.094 -0.100 0.000 1.901 101 V CA 1.888 64.157 62.300 -0.052 0.000 1.767 101 V CB -1.135 30.665 31.823 -0.038 0.000 0.906 101 V HN 1.753 nan 8.190 nan 0.000 0.402 102 N N 5.009 123.635 118.700 -0.124 0.000 2.442 102 N HA 0.675 5.428 4.740 0.023 0.000 0.274 102 N C -1.001 174.379 175.510 -0.217 0.000 1.002 102 N CA -0.657 52.303 53.050 -0.150 0.000 0.910 102 N CB 1.202 39.636 38.487 -0.088 0.000 1.244 102 N HN 0.623 nan 8.380 nan 0.000 0.492 103 I N 5.042 125.416 120.570 -0.326 0.000 2.542 103 I HA 0.350 4.534 4.170 0.023 0.000 0.278 103 I C -2.269 173.669 176.117 -0.298 0.000 1.069 103 I CA -1.836 59.237 61.300 -0.379 0.000 1.100 103 I CB 2.075 39.656 38.000 -0.698 0.000 1.204 103 I HN 0.368 nan 8.210 nan 0.000 0.470 104 P HA 0.215 nan 4.420 nan 0.000 0.274 104 P C 0.089 177.305 177.300 -0.140 0.000 1.256 104 P CA -0.265 62.756 63.100 -0.132 0.000 0.795 104 P CB 1.064 32.695 31.700 -0.115 0.000 1.038 105 I N -2.663 117.832 120.570 -0.125 0.000 3.194 105 I HA 0.282 4.466 4.170 0.023 0.000 0.283 105 I C -2.359 173.476 176.117 -0.470 0.000 1.199 105 I CA -2.367 58.761 61.300 -0.286 0.000 1.328 105 I CB -1.026 36.842 38.000 -0.220 0.000 1.404 105 I HN 0.092 nan 8.210 nan 0.000 0.618 106 P HA -0.015 nan 4.420 nan 0.000 0.265 106 P C -0.003 176.958 177.300 -0.565 0.000 1.193 106 P CA 0.130 62.795 63.100 -0.725 0.000 0.765 106 P CB 0.642 31.631 31.700 -1.184 0.000 0.823 107 Q N 3.799 123.435 119.800 -0.273 0.000 2.096 107 Q HA -0.169 4.185 4.340 0.023 0.000 0.204 107 Q C 1.587 177.548 176.000 -0.064 0.000 0.982 107 Q CA 1.683 57.417 55.803 -0.116 0.000 0.850 107 Q CB -0.290 28.444 28.738 -0.006 0.000 0.901 107 Q HN 0.683 nan 8.270 nan 0.000 0.422 108 W N -0.662 120.624 121.300 -0.024 0.000 2.425 108 W HA -0.063 4.611 4.660 0.024 0.000 0.277 108 W C 1.291 177.864 176.519 0.090 0.000 1.231 108 W CA 0.544 57.918 57.345 0.048 0.000 1.248 108 W CB -0.695 28.797 29.460 0.052 0.000 1.117 108 W HN -0.006 nan 8.180 nan 0.000 0.568 109 V N 2.422 121.866 119.914 -0.785 0.000 2.307 109 V HA -0.251 3.882 4.120 0.023 0.000 0.245 109 V C 2.826 178.845 176.094 -0.124 0.000 1.045 109 V CA 2.227 64.181 62.300 -0.578 0.000 1.024 109 V CB -0.842 30.373 31.823 -1.014 0.000 0.651 109 V HN 0.069 nan 8.190 nan 0.000 0.449 110 R N -0.014 120.418 120.500 -0.112 0.000 2.120 110 R HA -0.151 4.203 4.340 0.023 0.000 0.234 110 R C 2.000 178.378 176.300 0.131 0.000 1.123 110 R CA 1.467 57.634 56.100 0.112 0.000 0.975 110 R CB -0.407 29.950 30.300 0.095 0.000 0.866 110 R HN 0.522 nan 8.270 nan 0.000 0.446 111 D N 0.208 120.667 120.400 0.099 0.000 2.182 111 D HA -0.121 4.532 4.640 0.023 0.000 0.201 111 D C 1.837 178.193 176.300 0.094 0.000 0.986 111 D CA 0.991 55.062 54.000 0.119 0.000 0.847 111 D CB -0.043 40.854 40.800 0.161 0.000 0.942 111 D HN 0.029 nan 8.370 nan 0.000 0.467 112 V N 0.902 120.859 119.914 0.072 0.000 2.469 112 V HA -0.178 3.956 4.120 0.023 0.000 0.251 112 V C 2.492 178.560 176.094 -0.044 0.000 1.064 112 V CA 1.863 64.140 62.300 -0.038 0.000 1.066 112 V CB -0.898 30.840 31.823 -0.141 0.000 0.667 112 V HN 0.244 nan 8.190 nan 0.000 0.461 113 G N -0.759 108.050 108.800 0.014 0.000 2.509 113 G HA2 -0.183 3.790 3.960 0.023 0.000 0.218 113 G HA3 -0.183 3.790 3.960 0.023 0.000 0.218 113 G C 1.593 176.574 174.900 0.135 0.000 1.124 113 G CA 1.271 46.415 45.100 0.073 0.000 0.776 113 G HN 0.479 nan 8.290 nan 0.000 0.547 114 T N 0.634 115.250 114.554 0.103 0.000 2.777 114 T HA -0.041 4.323 4.350 0.023 0.000 0.266 114 T C 2.466 177.201 174.700 0.059 0.000 1.040 114 T CA 0.791 62.943 62.100 0.086 0.000 1.141 114 T CB -0.022 68.890 68.868 0.073 0.000 0.868 114 T HN 0.127 nan 8.240 nan 0.000 0.444 115 R N 1.034 121.553 120.500 0.033 0.000 2.223 115 R HA 0.220 4.573 4.340 0.023 0.000 0.198 115 R C 0.158 176.466 176.300 0.013 0.000 0.984 115 R CA 0.361 56.472 56.100 0.018 0.000 1.018 115 R CB -0.140 30.161 30.300 0.001 0.000 0.945 115 R HN 0.267 nan 8.270 nan 0.000 0.479 116 D N 0.643 121.046 120.400 0.005 0.000 2.405 116 D HA 0.180 4.833 4.640 0.023 0.000 0.264 116 D C -1.954 174.363 176.300 0.028 0.000 1.240 116 D CA -2.050 51.955 54.000 0.009 0.000 0.893 116 D CB 1.411 42.193 40.800 -0.031 0.000 1.198 116 D HN -0.096 nan 8.370 nan 0.000 0.514 117 P HA 0.004 nan 4.420 nan 0.000 0.230 117 P C 0.373 177.795 177.300 0.203 0.000 1.158 117 P CA 0.415 63.629 63.100 0.189 0.000 0.769 117 P CB 0.543 32.362 31.700 0.197 0.000 0.807 118 D N 0.400 120.890 120.400 0.150 0.000 2.352 118 D HA 0.010 4.664 4.640 0.023 0.000 0.232 118 D C 1.783 178.220 176.300 0.229 0.000 1.055 118 D CA 0.286 54.414 54.000 0.214 0.000 0.891 118 D CB -0.028 40.855 40.800 0.137 0.000 0.897 118 D HN 0.383 nan 8.370 nan 0.000 0.529 119 I N -2.910 117.635 120.570 -0.042 0.000 3.176 119 I HA -0.003 4.180 4.170 0.023 0.000 0.275 119 I C -0.122 175.776 176.117 -0.365 0.000 1.298 119 I CA 0.475 61.622 61.300 -0.256 0.000 1.445 119 I CB -0.220 37.551 38.000 -0.382 0.000 1.075 119 I HN -0.315 nan 8.210 nan 0.000 0.482 120 F N 0.358 120.371 119.950 0.105 0.000 2.480 120 F HA 0.500 5.040 4.527 0.022 0.000 0.329 120 F C -0.017 175.879 175.800 0.161 0.000 1.091 120 F CA -1.312 56.742 58.000 0.090 0.000 0.972 120 F CB 0.396 39.469 39.000 0.122 0.000 1.150 120 F HN -0.227 nan 8.300 nan 0.000 0.467 121 Y N 1.041 121.581 120.300 0.400 0.000 2.810 121 Y HA 0.203 4.767 4.550 0.023 0.000 0.332 121 Y C 0.771 176.868 175.900 0.330 0.000 1.243 121 Y CA 0.282 58.588 58.100 0.343 0.000 1.537 121 Y CB -0.139 38.510 38.460 0.314 0.000 1.265 121 Y HN 0.433 nan 8.280 nan 0.000 0.572 122 T N 3.902 118.763 114.554 0.510 0.000 2.886 122 T HA 0.310 4.674 4.350 0.023 0.000 0.292 122 T C -0.722 174.223 174.700 0.409 0.000 1.012 122 T CA -1.103 61.239 62.100 0.404 0.000 0.982 122 T CB 1.281 70.376 68.868 0.380 0.000 1.018 122 T HN 0.562 nan 8.240 nan 0.000 0.451 123 D N 0.896 121.475 120.400 0.298 0.000 2.506 123 D HA 0.376 5.030 4.640 0.023 0.000 0.272 123 D C 1.564 177.725 176.300 -0.232 0.000 1.214 123 D CA -0.593 53.518 54.000 0.187 0.000 1.067 123 D CB 0.110 41.075 40.800 0.275 0.000 1.117 123 D HN 0.549 nan 8.370 nan 0.000 0.578 124 G N -1.784 106.572 108.800 -0.740 0.000 2.598 124 G HA2 -0.181 3.793 3.960 0.023 0.000 0.215 124 G HA3 -0.181 3.793 3.960 0.023 0.000 0.215 124 G C 1.015 175.479 174.900 -0.726 0.000 1.131 124 G CA 0.393 44.665 45.100 -1.379 0.000 0.785 124 G HN 0.587 nan 8.290 nan 0.000 0.539 125 H N -0.041 118.891 119.070 -0.230 0.000 2.551 125 H HA 0.144 4.698 4.556 -0.003 0.000 0.266 125 H C 2.249 177.557 175.328 -0.034 0.000 0.964 125 H CA 0.685 56.681 56.048 -0.086 0.000 1.180 125 H CB 0.449 30.212 29.762 0.000 0.000 1.408 125 H HN 0.432 nan 8.280 nan 0.000 0.563 126 G N 1.262 110.101 108.800 0.064 0.000 2.175 126 G HA2 -0.279 3.695 3.960 0.023 0.000 0.244 126 G HA3 -0.279 3.695 3.960 0.023 0.000 0.244 126 G C 0.387 175.377 174.900 0.149 0.000 0.982 126 G CA 0.401 45.567 45.100 0.110 0.000 0.641 126 G HN 0.364 nan 8.290 nan 0.000 0.527 127 T N 2.980 117.639 114.554 0.175 0.000 2.888 127 T HA 0.454 4.818 4.350 0.023 0.000 0.301 127 T C 0.649 175.451 174.700 0.170 0.000 1.001 127 T CA -0.061 62.133 62.100 0.156 0.000 1.147 127 T CB 0.745 69.711 68.868 0.163 0.000 0.931 127 T HN 0.287 nan 8.240 nan 0.000 0.541 128 R N 3.520 124.095 120.500 0.124 0.000 2.297 128 R HA 0.300 4.654 4.340 0.023 0.000 0.308 128 R C 0.106 176.411 176.300 0.009 0.000 1.029 128 R CA -0.674 55.501 56.100 0.125 0.000 0.929 128 R CB 0.323 30.684 30.300 0.101 0.000 1.046 128 R HN 0.503 nan 8.270 nan 0.000 0.461 129 N N 3.445 122.188 118.700 0.071 0.000 2.437 129 N HA 0.114 4.867 4.740 0.023 0.000 0.259 129 N C 0.602 176.029 175.510 -0.139 0.000 0.983 129 N CA -0.378 52.663 53.050 -0.014 0.000 0.937 129 N CB 0.924 39.485 38.487 0.124 0.000 1.122 129 N HN 0.664 nan 8.380 nan 0.000 0.499 130 I N 1.123 121.479 120.570 -0.358 0.000 3.810 130 I HA 0.179 4.363 4.170 0.023 0.000 0.322 130 I C 1.301 177.361 176.117 -0.095 0.000 1.288 130 I CA 0.042 60.994 61.300 -0.579 0.000 1.143 130 I CB 0.017 37.619 38.000 -0.664 0.000 1.012 130 I HN 0.520 nan 8.210 nan 0.000 0.423 131 E N 0.713 120.947 120.200 0.057 0.000 2.435 131 E HA -0.041 4.322 4.350 0.023 0.000 0.195 131 E C -0.211 176.621 176.600 0.387 0.000 1.029 131 E CA 0.281 56.786 56.400 0.176 0.000 0.865 131 E CB 0.103 29.889 29.700 0.142 0.000 0.833 131 E HN 0.592 nan 8.360 nan 0.000 0.510 132 Y N -0.256 120.206 120.300 0.270 0.000 2.620 132 Y HA 0.316 4.879 4.550 0.022 0.000 0.331 132 Y C -1.775 174.269 175.900 0.241 0.000 1.173 132 Y CA -1.113 57.162 58.100 0.291 0.000 1.076 132 Y CB 1.170 39.798 38.460 0.279 0.000 1.336 132 Y HN -0.123 nan 8.280 nan 0.000 0.459 133 L N 3.803 124.773 121.223 -0.423 0.000 2.305 133 L HA 0.324 4.678 4.340 0.023 0.000 0.281 133 L C 0.649 177.228 176.870 -0.485 0.000 1.085 133 L CA -0.562 54.067 54.840 -0.351 0.000 0.813 133 L CB 1.303 43.135 42.059 -0.377 0.000 1.157 133 L HN 0.757 nan 8.230 nan 0.000 0.436 134 T N 2.619 116.843 114.554 -0.549 0.000 2.946 134 T HA 0.022 4.386 4.350 0.023 0.000 0.312 134 T C 1.255 175.678 174.700 -0.462 0.000 1.066 134 T CA -0.422 61.120 62.100 -0.929 0.000 1.138 134 T CB 0.402 69.019 68.868 -0.420 0.000 1.014 134 T HN 0.514 nan 8.240 nan 0.000 0.544 135 L N 4.547 125.528 121.223 -0.403 0.000 2.261 135 L HA 0.211 4.565 4.340 0.023 0.000 0.216 135 L C 2.420 179.254 176.870 -0.060 0.000 1.114 135 L CA 2.009 56.711 54.840 -0.230 0.000 0.777 135 L CB -1.238 40.558 42.059 -0.439 0.000 0.910 135 L HN 0.694 nan 8.230 nan 0.000 0.440 136 G N 0.312 109.104 108.800 -0.013 0.000 2.498 136 G HA2 -0.111 3.863 3.960 0.023 0.000 0.219 136 G HA3 -0.111 3.863 3.960 0.023 0.000 0.219 136 G C 1.274 176.116 174.900 -0.097 0.000 1.119 136 G CA 0.993 46.137 45.100 0.073 0.000 0.766 136 G HN 0.592 nan 8.290 nan 0.000 0.552 137 V N -2.806 116.987 119.914 -0.202 0.000 3.271 137 V HA 0.254 4.388 4.120 0.023 0.000 0.327 137 V C 1.317 177.325 176.094 -0.144 0.000 1.389 137 V CA 0.247 62.373 62.300 -0.290 0.000 1.156 137 V CB 0.316 31.948 31.823 -0.319 0.000 1.103 137 V HN -0.066 nan 8.190 nan 0.000 0.453 138 D N 2.487 122.836 120.400 -0.084 0.000 2.149 138 D HA -0.152 4.502 4.640 0.023 0.000 0.194 138 D C 1.344 177.597 176.300 -0.078 0.000 1.001 138 D CA 1.902 55.868 54.000 -0.058 0.000 0.849 138 D CB -0.061 40.775 40.800 0.061 0.000 0.939 138 D HN 0.551 nan 8.370 nan 0.000 0.449 139 N N 0.417 119.087 118.700 -0.050 0.000 2.282 139 N HA 0.032 4.786 4.740 0.023 0.000 0.240 139 N C -0.438 175.046 175.510 -0.044 0.000 1.182 139 N CA -0.017 53.012 53.050 -0.035 0.000 0.874 139 N CB 0.874 39.359 38.487 -0.002 0.000 1.126 139 N HN 0.179 nan 8.380 nan 0.000 0.516 140 Q N 1.305 121.052 119.800 -0.088 0.000 2.278 140 Q HA 0.297 4.651 4.340 0.023 0.000 0.257 140 Q C -2.264 173.682 176.000 -0.090 0.000 0.928 140 Q CA -1.572 54.159 55.803 -0.120 0.000 0.932 140 Q CB 2.099 30.657 28.738 -0.300 0.000 1.221 140 Q HN 0.101 nan 8.270 nan 0.000 0.434 141 P HA 0.155 nan 4.420 nan 0.000 0.219 141 P C 0.124 177.352 177.300 -0.120 0.000 1.832 141 P CA 0.100 63.177 63.100 -0.039 0.000 1.014 141 P CB -0.097 31.594 31.700 -0.014 0.000 1.939 142 L N -0.513 120.540 121.223 -0.283 0.000 2.554 142 L HA 0.234 4.588 4.340 0.023 0.000 0.225 142 L C 0.477 176.895 176.870 -0.754 0.000 1.104 142 L CA 0.378 54.855 54.840 -0.605 0.000 0.866 142 L CB -0.218 41.272 42.059 -0.949 0.000 1.047 142 L HN 0.026 nan 8.230 nan 0.000 0.468 143 F N 0.308 120.213 119.950 -0.075 0.000 2.334 143 F HA 0.368 4.908 4.527 0.022 0.000 0.343 143 F C 0.318 176.159 175.800 0.069 0.000 1.136 143 F CA -0.996 56.997 58.000 -0.012 0.000 1.237 143 F CB -0.381 38.687 39.000 0.113 0.000 1.525 143 F HN 0.061 nan 8.300 nan 0.000 0.528 144 H N 0.971 120.140 119.070 0.164 0.000 2.626 144 H HA -0.208 4.362 4.556 0.023 0.000 0.317 144 H C 1.515 176.886 175.328 0.073 0.000 1.140 144 H CA 0.891 56.994 56.048 0.091 0.000 1.134 144 H CB -1.206 28.593 29.762 0.062 0.000 1.486 144 H HN 0.972 nan 8.280 nan 0.000 0.417 145 G N -0.541 108.319 108.800 0.100 0.000 2.234 145 G HA2 -0.302 3.672 3.960 0.023 0.000 0.235 145 G HA3 -0.302 3.672 3.960 0.023 0.000 0.235 145 G C 0.459 175.412 174.900 0.088 0.000 0.997 145 G CA 0.301 45.446 45.100 0.075 0.000 0.623 145 G HN 0.545 nan 8.290 nan 0.000 0.514 146 R N 1.099 121.690 120.500 0.152 0.000 2.486 146 R HA 0.602 4.955 4.340 0.023 0.000 0.286 146 R C 0.879 177.290 176.300 0.185 0.000 0.999 146 R CA 0.221 56.413 56.100 0.152 0.000 0.993 146 R CB 1.347 31.757 30.300 0.183 0.000 1.084 146 R HN 0.455 nan 8.270 nan 0.000 0.487 147 S N 0.813 116.563 115.700 0.085 0.000 2.645 147 S HA 0.245 4.729 4.470 0.023 0.000 0.266 147 S C 1.217 175.756 174.600 -0.103 0.000 1.258 147 S CA -0.276 57.956 58.200 0.054 0.000 0.990 147 S CB 1.542 64.721 63.200 -0.034 0.000 0.967 147 S HN 0.695 nan 8.310 nan 0.000 0.556 148 A N 0.727 123.395 122.820 -0.253 0.000 1.902 148 A HA 0.018 4.352 4.320 0.023 0.000 0.217 148 A C 2.159 179.075 177.584 -1.113 0.000 1.181 148 A CA 1.586 53.145 52.037 -0.796 0.000 0.623 148 A CB -1.363 17.193 19.000 -0.739 0.000 0.818 148 A HN 0.775 nan 8.150 nan 0.000 0.443 149 V N -0.054 119.509 119.914 -0.585 0.000 2.407 149 V HA -0.320 3.813 4.120 0.023 0.000 0.248 149 V C 2.629 178.543 176.094 -0.301 0.000 1.055 149 V CA 2.256 64.319 62.300 -0.394 0.000 1.049 149 V CB -0.890 30.844 31.823 -0.149 0.000 0.662 149 V HN 0.643 nan 8.190 nan 0.000 0.455 150 Q N -0.885 118.787 119.800 -0.214 0.000 2.084 150 Q HA -0.192 4.162 4.340 0.023 0.000 0.202 150 Q C 2.319 178.264 176.000 -0.091 0.000 0.978 150 Q CA 1.708 57.454 55.803 -0.095 0.000 0.844 150 Q CB -0.229 28.494 28.738 -0.025 0.000 0.898 150 Q HN 0.581 nan 8.270 nan 0.000 0.426 151 M N -0.615 118.856 119.600 -0.216 0.000 2.117 151 M HA -0.196 4.298 4.480 0.023 0.000 0.262 151 M C 1.726 177.927 176.300 -0.165 0.000 1.065 151 M CA 1.451 56.677 55.300 -0.124 0.000 1.114 151 M CB -0.347 32.132 32.600 -0.202 0.000 1.361 151 M HN 0.231 nan 8.290 nan 0.000 0.408 152 Y N 0.231 120.234 120.300 -0.495 0.000 2.200 152 Y HA -0.058 4.505 4.550 0.022 0.000 0.290 152 Y C 2.759 178.585 175.900 -0.124 0.000 1.137 152 Y CA 0.883 58.548 58.100 -0.724 0.000 1.163 152 Y CB -1.644 36.175 38.460 -1.069 0.000 0.988 152 Y HN 0.212 nan 8.280 nan 0.000 0.518 153 A N 0.287 123.138 122.820 0.053 0.000 1.902 153 A HA -0.174 4.160 4.320 0.023 0.000 0.217 153 A C 1.942 179.602 177.584 0.126 0.000 1.181 153 A CA 1.985 54.071 52.037 0.082 0.000 0.623 153 A CB -0.750 18.268 19.000 0.029 0.000 0.818 153 A HN 0.339 nan 8.150 nan 0.000 0.443 154 D N -1.753 118.746 120.400 0.165 0.000 2.144 154 D HA -0.148 4.505 4.640 0.023 0.000 0.199 154 D C 1.663 178.122 176.300 0.265 0.000 0.984 154 D CA 1.440 55.581 54.000 0.234 0.000 0.834 154 D CB -0.449 40.547 40.800 0.326 0.000 0.955 154 D HN 0.637 nan 8.370 nan 0.000 0.465 155 Y N 0.839 121.278 120.300 0.233 0.000 2.145 155 Y HA -0.175 4.389 4.550 0.024 0.000 0.286 155 Y C 2.397 178.406 175.900 0.183 0.000 1.145 155 Y CA 1.488 59.717 58.100 0.215 0.000 1.148 155 Y CB -0.109 38.616 38.460 0.443 0.000 0.981 155 Y HN -0.135 nan 8.280 nan 0.000 0.507 156 M N -0.948 118.868 119.600 0.361 0.000 2.159 156 M HA -0.226 4.268 4.480 0.023 0.000 0.263 156 M C 1.961 178.236 176.300 -0.041 0.000 1.063 156 M CA 2.023 57.437 55.300 0.189 0.000 1.110 156 M CB -0.475 32.257 32.600 0.220 0.000 1.374 156 M HN 0.218 nan 8.290 nan 0.000 0.411 157 T N -0.282 114.237 114.554 -0.058 0.000 2.708 157 T HA -0.145 4.219 4.350 0.023 0.000 0.266 157 T C 1.968 176.585 174.700 -0.138 0.000 1.037 157 T CA 1.896 63.922 62.100 -0.123 0.000 1.146 157 T CB -0.278 68.564 68.868 -0.043 0.000 0.865 157 T HN 0.374 nan 8.240 nan 0.000 0.435 158 S N 0.288 115.901 115.700 -0.146 0.000 2.383 158 S HA -0.075 4.409 4.470 0.023 0.000 0.227 158 S C 1.739 176.119 174.600 -0.368 0.000 1.026 158 S CA 0.896 58.986 58.200 -0.183 0.000 0.981 158 S CB -0.562 62.407 63.200 -0.385 0.000 0.818 158 S HN 0.475 nan 8.310 nan 0.000 0.472 159 F N 2.762 122.364 119.950 -0.580 0.000 2.095 159 F HA -0.079 4.462 4.527 0.023 0.000 0.298 159 F C 2.479 177.945 175.800 -0.557 0.000 1.104 159 F CA 2.120 59.565 58.000 -0.925 0.000 1.232 159 F CB -0.473 38.189 39.000 -0.564 0.000 0.987 159 F HN 0.121 nan 8.300 nan 0.000 0.475 160 R N 0.513 120.884 120.500 -0.215 0.000 2.091 160 R HA -0.199 4.154 4.340 0.023 0.000 0.238 160 R C 2.129 178.222 176.300 -0.346 0.000 1.136 160 R CA 2.196 58.117 56.100 -0.298 0.000 0.959 160 R CB -0.467 29.583 30.300 -0.417 0.000 0.856 160 R HN 0.438 nan 8.270 nan 0.000 0.437 161 E N -0.060 119.965 120.200 -0.290 0.000 2.051 161 E HA -0.143 4.220 4.350 0.023 0.000 0.192 161 E C 1.908 178.352 176.600 -0.261 0.000 0.991 161 E CA 1.176 57.451 56.400 -0.207 0.000 0.799 161 E CB -0.105 29.518 29.700 -0.128 0.000 0.748 161 E HN 0.442 nan 8.360 nan 0.000 0.449 162 N N -0.024 118.425 118.700 -0.419 0.000 2.270 162 N HA -0.068 4.686 4.740 0.023 0.000 0.181 162 N C 1.105 176.379 175.510 -0.393 0.000 1.016 162 N CA 0.859 53.647 53.050 -0.436 0.000 0.870 162 N CB 0.158 38.213 38.487 -0.720 0.000 0.979 162 N HN 0.163 nan 8.380 nan 0.000 0.431 163 M N 0.472 119.762 119.600 -0.516 0.000 2.475 163 M HA 0.119 4.612 4.480 0.023 0.000 0.261 163 M C 1.574 177.761 176.300 -0.188 0.000 1.177 163 M CA -0.046 55.077 55.300 -0.296 0.000 0.979 163 M CB -0.106 32.089 32.600 -0.676 0.000 1.482 163 M HN 0.005 nan 8.290 nan 0.000 0.484 164 K N 1.968 122.236 120.400 -0.220 0.000 2.063 164 K HA -0.212 4.122 4.320 0.023 0.000 0.208 164 K C 1.788 178.334 176.600 -0.091 0.000 1.048 164 K CA 2.079 58.288 56.287 -0.129 0.000 0.928 164 K CB 0.122 32.584 32.500 -0.063 0.000 0.713 164 K HN 0.546 nan 8.250 nan 0.000 0.442 165 E N -0.315 119.756 120.200 -0.215 0.000 2.085 165 E HA -0.225 4.139 4.350 0.023 0.000 0.194 165 E C 1.728 178.169 176.600 -0.266 0.000 0.994 165 E CA 1.348 57.568 56.400 -0.300 0.000 0.801 165 E CB -0.512 28.882 29.700 -0.509 0.000 0.743 165 E HN 0.314 nan 8.360 nan 0.000 0.453 166 F N 1.129 121.052 119.950 -0.045 0.000 2.259 166 F HA 0.065 4.606 4.527 0.023 0.000 0.298 166 F C 2.283 178.058 175.800 -0.043 0.000 1.088 166 F CA 0.640 58.615 58.000 -0.043 0.000 1.358 166 F CB -0.380 38.591 39.000 -0.049 0.000 1.040 166 F HN -0.055 nan 8.300 nan 0.000 0.505 167 L N -0.295 120.994 121.223 0.111 0.000 1.994 167 L HA -0.218 4.135 4.340 0.023 0.000 0.208 167 L C 2.097 179.060 176.870 0.155 0.000 1.071 167 L CA 1.379 56.282 54.840 0.105 0.000 0.745 167 L CB -0.633 41.432 42.059 0.011 0.000 0.892 167 L HN 0.008 nan 8.230 nan 0.000 0.431 168 D N 0.010 120.494 120.400 0.140 0.000 2.219 168 D HA -0.105 4.548 4.640 0.023 0.000 0.205 168 D C 2.036 178.374 176.300 0.063 0.000 0.970 168 D CA 1.318 55.387 54.000 0.115 0.000 0.851 168 D CB 0.049 40.895 40.800 0.077 0.000 0.943 168 D HN 0.312 nan 8.370 nan 0.000 0.488 169 A N -0.221 122.626 122.820 0.046 0.000 2.238 169 A HA 0.362 4.695 4.320 0.023 0.000 0.208 169 A C 1.732 179.342 177.584 0.043 0.000 1.177 169 A CA 1.038 53.096 52.037 0.035 0.000 0.804 169 A CB -0.269 18.747 19.000 0.027 0.000 0.823 169 A HN 0.231 nan 8.150 nan 0.000 0.482 170 G N -1.566 107.270 108.800 0.060 0.000 2.147 170 G HA2 -0.260 3.714 3.960 0.023 0.000 0.244 170 G HA3 -0.260 3.714 3.960 0.023 0.000 0.244 170 G C 0.808 175.731 174.900 0.038 0.000 1.005 170 G CA 0.504 45.633 45.100 0.048 0.000 0.713 170 G HN 0.579 nan 8.290 nan 0.000 0.515 171 V N 0.180 120.129 119.914 0.059 0.000 2.273 171 V HA 0.175 4.309 4.120 0.023 0.000 0.242 171 V C 1.839 177.921 176.094 -0.021 0.000 1.035 171 V CA 1.613 63.932 62.300 0.033 0.000 1.013 171 V CB -0.175 31.703 31.823 0.091 0.000 0.652 171 V HN 0.464 nan 8.190 nan 0.000 0.452 172 I N 1.635 122.187 120.570 -0.031 0.000 2.379 172 I HA 0.101 4.285 4.170 0.023 0.000 0.290 172 I C 0.780 176.881 176.117 -0.027 0.000 1.063 172 I CA 0.168 61.417 61.300 -0.084 0.000 1.351 172 I CB 1.224 39.172 38.000 -0.088 0.000 1.410 172 I HN 0.157 nan 8.210 nan 0.000 0.505 173 V N 0.749 120.642 119.914 -0.034 0.000 3.502 173 V HA 0.399 4.533 4.120 0.023 0.000 0.288 173 V C -0.171 175.897 176.094 -0.043 0.000 1.461 173 V CA 0.112 62.414 62.300 0.003 0.000 1.029 173 V CB 0.374 32.237 31.823 0.067 0.000 0.843 173 V HN 0.753 nan 8.190 nan 0.000 0.438 174 D N -0.100 120.225 120.400 -0.125 0.000 2.927 174 D HA 0.518 5.171 4.640 0.023 0.000 0.219 174 D C -1.414 174.733 176.300 -0.256 0.000 1.248 174 D CA -0.386 53.509 54.000 -0.174 0.000 0.861 174 D CB 2.060 42.747 40.800 -0.188 0.000 1.677 174 D HN 0.031 nan 8.370 nan 0.000 0.511 175 I N 2.868 123.246 120.570 -0.321 0.000 2.382 175 I HA 0.290 4.474 4.170 0.023 0.000 0.285 175 I C -0.142 175.800 176.117 -0.292 0.000 1.007 175 I CA -0.622 60.432 61.300 -0.410 0.000 1.142 175 I CB 1.212 38.786 38.000 -0.710 0.000 1.289 175 I HN 0.547 nan 8.210 nan 0.000 0.453 176 E N 6.112 126.157 120.200 -0.258 0.000 2.115 176 E HA 0.395 4.758 4.350 0.023 0.000 0.282 176 E C -1.167 175.320 176.600 -0.188 0.000 0.987 176 E CA -0.510 55.774 56.400 -0.194 0.000 0.797 176 E CB 1.455 31.052 29.700 -0.171 0.000 1.086 176 E HN 0.364 nan 8.360 nan 0.000 0.397 177 V N 4.772 124.602 119.914 -0.140 0.000 2.389 177 V HA 0.278 4.411 4.120 0.023 0.000 0.264 177 V C 0.888 176.936 176.094 -0.077 0.000 1.049 177 V CA -0.344 61.901 62.300 -0.093 0.000 0.932 177 V CB 0.970 32.754 31.823 -0.064 0.000 1.011 177 V HN 0.789 nan 8.190 nan 0.000 0.475 178 G N 4.417 113.184 108.800 -0.055 0.000 2.365 178 G HA2 0.392 4.366 3.960 0.023 0.000 0.249 178 G HA3 0.392 4.366 3.960 0.023 0.000 0.249 178 G C 0.225 175.137 174.900 0.020 0.000 1.288 178 G CA -0.245 44.848 45.100 -0.012 0.000 0.887 178 G HN 0.752 nan 8.290 nan 0.000 0.524 179 L N 2.200 123.375 121.223 -0.080 0.000 3.184 179 L HA 0.439 4.792 4.340 0.023 0.000 0.283 179 L C 1.065 177.776 176.870 -0.266 0.000 1.218 179 L CA 0.251 55.054 54.840 -0.060 0.000 1.028 179 L CB 0.148 42.163 42.059 -0.073 0.000 1.400 179 L HN 0.848 nan 8.230 nan 0.000 0.591 180 G N -0.719 107.616 108.800 -0.775 0.000 2.335 180 G HA2 0.196 4.170 3.960 0.023 0.000 0.291 180 G HA3 0.196 4.170 3.960 0.023 0.000 0.291 180 G C -3.170 171.241 174.900 -0.815 0.000 1.261 180 G CA -0.729 43.562 45.100 -1.350 0.000 0.871 180 G HN -0.335 nan 8.290 nan 0.000 0.491 181 P HA 0.341 nan 4.420 nan 0.000 0.264 181 P C 0.697 177.796 177.300 -0.336 0.000 1.183 181 P CA 1.818 64.788 63.100 -0.218 0.000 0.763 181 P CB 1.002 32.596 31.700 -0.176 0.000 0.807 182 A N 3.267 125.874 122.820 -0.356 0.000 2.816 182 A HA -0.098 4.236 4.320 0.023 0.000 0.270 182 A C 1.540 178.710 177.584 -0.689 0.000 1.413 182 A CA 1.626 53.430 52.037 -0.388 0.000 0.866 182 A CB -2.465 16.477 19.000 -0.097 0.000 1.032 182 A HN 1.133 nan 8.150 nan 0.000 0.642 183 G N -2.225 105.832 108.800 -1.238 0.000 2.184 183 G HA2 -0.252 3.722 3.960 0.023 0.000 0.264 183 G HA3 -0.252 3.722 3.960 0.023 0.000 0.264 183 G C -0.162 174.558 174.900 -0.299 0.000 0.975 183 G CA 1.094 45.828 45.100 -0.610 0.000 0.642 183 G HN 1.254 nan 8.290 nan 0.000 0.536 184 E N -0.624 119.406 120.200 -0.283 0.000 2.202 184 E HA 0.546 4.910 4.350 0.023 0.000 0.272 184 E C 0.351 176.870 176.600 -0.135 0.000 0.951 184 E CA -0.900 55.418 56.400 -0.136 0.000 0.813 184 E CB 1.285 30.954 29.700 -0.052 0.000 1.151 184 E HN 0.222 nan 8.360 nan 0.000 0.398 185 M N 4.678 124.262 119.600 -0.026 0.000 2.821 185 M HA 0.108 4.602 4.480 0.023 0.000 0.305 185 M C -0.691 175.614 176.300 0.008 0.000 1.466 185 M CA 0.389 55.685 55.300 -0.007 0.000 1.526 185 M CB -0.605 32.031 32.600 0.061 0.000 1.321 185 M HN 0.492 nan 8.290 nan 0.000 0.492 186 R N 1.950 122.330 120.500 -0.201 0.000 2.733 186 R HA 0.445 4.798 4.340 0.023 0.000 0.272 186 R C -1.978 174.015 176.300 -0.511 0.000 1.029 186 R CA -0.921 54.981 56.100 -0.328 0.000 0.888 186 R CB 0.947 31.142 30.300 -0.176 0.000 1.251 186 R HN 0.253 nan 8.270 nan 0.000 0.464 187 Y N 0.586 120.605 120.300 -0.468 0.000 2.316 187 Y HA 0.359 4.925 4.550 0.027 0.000 0.324 187 Y C -1.612 174.041 175.900 -0.412 0.000 1.267 187 Y CA -2.258 55.490 58.100 -0.586 0.000 1.311 187 Y CB 1.096 39.252 38.460 -0.506 0.000 1.267 187 Y HN 0.442 nan 8.280 nan 0.000 0.516 188 P HA 0.038 nan 4.420 nan 0.000 0.220 188 P C 0.113 177.338 177.300 -0.125 0.000 1.806 188 P CA 0.058 63.031 63.100 -0.212 0.000 0.976 188 P CB -0.148 31.505 31.700 -0.079 0.000 1.952 189 S N -0.117 115.521 115.700 -0.103 0.000 2.522 189 S HA -0.095 4.388 4.470 0.023 0.000 0.227 189 S C 0.665 175.314 174.600 0.081 0.000 0.986 189 S CA 0.135 58.372 58.200 0.062 0.000 0.929 189 S CB -0.995 62.247 63.200 0.070 0.000 0.769 189 S HN 0.384 nan 8.310 nan 0.000 0.529 190 Y N -0.013 120.093 120.300 -0.323 0.000 2.658 190 Y HA 0.616 5.178 4.550 0.019 0.000 0.362 190 Y C -3.228 172.368 175.900 -0.508 0.000 1.017 190 Y CA -3.862 53.661 58.100 -0.961 0.000 1.134 190 Y CB 0.103 37.516 38.460 -1.746 0.000 1.144 190 Y HN -0.012 nan 8.280 nan 0.000 0.655 191 P HA 0.071 nan 4.420 nan 0.000 0.266 191 P C -0.390 177.026 177.300 0.193 0.000 1.586 191 P CA 0.093 63.172 63.100 -0.035 0.000 1.088 191 P CB 1.058 32.713 31.700 -0.074 0.000 1.584 192 Q N 3.289 123.281 119.800 0.319 0.000 2.337 192 Q HA 0.112 4.466 4.340 0.023 0.000 0.270 192 Q C 0.922 177.029 176.000 0.178 0.000 1.002 192 Q CA 0.867 56.916 55.803 0.410 0.000 0.888 192 Q CB 0.300 29.294 28.738 0.426 0.000 1.222 192 Q HN 0.604 nan 8.270 nan 0.000 0.400 193 S N 2.139 117.866 115.700 0.046 0.000 3.011 193 S HA -0.287 4.197 4.470 0.023 0.000 0.278 193 S C -0.287 174.066 174.600 -0.411 0.000 1.300 193 S CA 2.041 60.141 58.200 -0.166 0.000 1.248 193 S CB -1.916 61.163 63.200 -0.203 0.000 1.517 193 S HN 0.943 nan 8.310 nan 0.000 0.685 194 H N 0.031 119.081 119.070 -0.034 0.000 2.549 194 H HA 0.557 5.126 4.556 0.021 0.000 0.253 194 H C 1.431 176.655 175.328 -0.173 0.000 1.170 194 H CA 0.406 56.406 56.048 -0.079 0.000 0.943 194 H CB 0.884 30.607 29.762 -0.065 0.000 1.849 194 H HN 0.754 nan 8.280 nan 0.000 0.603 195 G N -0.403 108.330 108.800 -0.112 0.000 2.551 195 G HA2 -0.207 3.767 3.960 0.023 0.000 0.186 195 G HA3 -0.207 3.767 3.960 0.023 0.000 0.186 195 G C -0.471 174.334 174.900 -0.160 0.000 1.002 195 G CA -0.460 44.500 45.100 -0.233 0.000 0.723 195 G HN 0.317 nan 8.290 nan 0.000 0.481 196 W N 2.148 123.283 121.300 -0.275 0.000 2.736 196 W HA 0.773 5.442 4.660 0.014 0.000 0.335 196 W C -0.580 175.930 176.519 -0.014 0.000 1.059 196 W CA -0.378 56.912 57.345 -0.091 0.000 1.226 196 W CB 2.174 31.617 29.460 -0.028 0.000 1.416 196 W HN 0.151 nan 8.180 nan 0.000 0.505 197 S N 4.959 120.185 115.700 -0.791 0.000 2.526 197 S HA 0.399 4.883 4.470 0.023 0.000 0.293 197 S C -1.108 172.477 174.600 -1.691 0.000 1.092 197 S CA -0.719 56.874 58.200 -1.011 0.000 0.980 197 S CB 1.192 64.113 63.200 -0.465 0.000 1.048 197 S HN 0.420 nan 8.310 nan 0.000 0.483 198 F N 5.324 124.215 119.950 -1.764 0.000 2.607 198 F HA 0.278 4.821 4.527 0.027 0.000 0.374 198 F C -1.572 173.842 175.800 -0.642 0.000 1.104 198 F CA -0.851 56.425 58.000 -1.206 0.000 1.296 198 F CB 0.683 39.217 39.000 -0.777 0.000 1.085 198 F HN 0.309 nan 8.300 nan 0.000 0.584 199 P HA 0.242 nan 4.420 nan 0.000 0.223 199 P C -0.132 177.092 177.300 -0.128 0.000 1.878 199 P CA -0.231 62.087 63.100 -1.303 0.000 1.038 199 P CB 0.232 30.935 31.700 -1.662 0.000 1.774 200 G N 1.389 110.146 108.800 -0.071 0.000 2.559 200 G HA2 0.086 4.060 3.960 0.023 0.000 0.235 200 G HA3 0.086 4.060 3.960 0.023 0.000 0.235 200 G C 1.208 176.542 174.900 0.723 0.000 1.266 200 G CA -0.579 44.714 45.100 0.320 0.000 0.847 200 G HN 0.393 nan 8.290 nan 0.000 0.583 201 I N 0.127 120.875 120.570 0.296 0.000 2.700 201 I HA 0.222 4.406 4.170 0.023 0.000 0.261 201 I C 1.282 177.418 176.117 0.032 0.000 1.219 201 I CA 0.627 61.909 61.300 -0.030 0.000 1.463 201 I CB -0.907 36.721 38.000 -0.620 0.000 1.092 201 I HN 0.981 nan 8.210 nan 0.000 0.452 202 G N 1.296 110.258 108.800 0.270 0.000 2.782 202 G HA2 -0.192 3.781 3.960 0.023 0.000 0.228 202 G HA3 -0.192 3.781 3.960 0.023 0.000 0.228 202 G C -0.705 174.105 174.900 -0.150 0.000 1.372 202 G CA -0.160 45.063 45.100 0.205 0.000 0.862 202 G HN 0.601 nan 8.290 nan 0.000 0.547 203 E N -1.262 118.798 120.200 -0.234 0.000 2.369 203 E HA 0.550 4.914 4.350 0.023 0.000 0.270 203 E C -0.956 175.430 176.600 -0.356 0.000 0.909 203 E CA -0.891 55.247 56.400 -0.437 0.000 0.775 203 E CB 1.492 30.796 29.700 -0.661 0.000 1.270 203 E HN 0.292 nan 8.360 nan 0.000 0.445 204 F N 1.767 121.615 119.950 -0.170 0.000 2.504 204 F HA 0.116 4.653 4.527 0.017 0.000 0.369 204 F C 0.759 176.532 175.800 -0.046 0.000 1.082 204 F CA -0.296 57.538 58.000 -0.278 0.000 1.216 204 F CB 0.375 39.080 39.000 -0.492 0.000 1.108 204 F HN 0.253 nan 8.300 nan 0.000 0.554 205 I N 4.234 124.918 120.570 0.190 0.000 2.802 205 I HA 0.125 4.308 4.170 0.023 0.000 0.307 205 I C 0.244 176.548 176.117 0.311 0.000 1.232 205 I CA -0.152 61.303 61.300 0.257 0.000 1.060 205 I CB -0.247 37.869 38.000 0.194 0.000 1.866 205 I HN 0.721 nan 8.210 nan 0.000 0.568 206 C N -1.965 117.496 119.300 0.268 0.000 2.976 206 C HA 0.355 4.828 4.460 0.023 0.000 0.274 206 C C 1.147 176.262 174.990 0.209 0.000 1.487 206 C CA -0.466 58.675 59.018 0.205 0.000 1.789 206 C CB -1.713 26.053 27.740 0.043 0.000 2.771 206 C HN 0.484 nan 8.230 nan 0.000 0.551 207 Y N 2.657 123.157 120.300 0.332 0.000 2.466 207 Y HA 0.139 4.707 4.550 0.030 0.000 0.272 207 Y C 1.188 177.281 175.900 0.323 0.000 1.169 207 Y CA 0.135 58.460 58.100 0.375 0.000 1.285 207 Y CB -0.379 38.233 38.460 0.253 0.000 1.078 207 Y HN 0.554 nan 8.280 nan 0.000 0.523 208 D N 0.259 120.928 120.400 0.448 0.000 2.400 208 D HA -0.056 4.598 4.640 0.023 0.000 0.238 208 D C 1.246 177.707 176.300 0.269 0.000 1.157 208 D CA -0.205 54.005 54.000 0.350 0.000 0.889 208 D CB 0.759 41.783 40.800 0.373 0.000 1.199 208 D HN 0.313 nan 8.370 nan 0.000 0.436 209 K N 0.692 121.155 120.400 0.104 0.000 2.211 209 K HA -0.230 4.104 4.320 0.023 0.000 0.203 209 K C 1.224 177.783 176.600 -0.069 0.000 1.050 209 K CA 0.905 57.166 56.287 -0.043 0.000 0.945 209 K CB -0.438 31.933 32.500 -0.215 0.000 0.732 209 K HN 0.535 nan 8.250 nan 0.000 0.451 210 Y N 1.808 122.208 120.300 0.165 0.000 2.163 210 Y HA -0.059 4.505 4.550 0.023 0.000 0.288 210 Y C 2.247 178.302 175.900 0.258 0.000 1.136 210 Y CA 1.018 59.218 58.100 0.166 0.000 1.147 210 Y CB -0.318 38.213 38.460 0.119 0.000 0.987 210 Y HN -0.091 nan 8.280 nan 0.000 0.509 211 L N -0.396 121.111 121.223 0.474 0.000 2.093 211 L HA -0.222 4.132 4.340 0.023 0.000 0.208 211 L C 2.353 179.613 176.870 0.650 0.000 1.085 211 L CA 1.212 56.421 54.840 0.614 0.000 0.755 211 L CB -0.614 41.830 42.059 0.641 0.000 0.904 211 L HN 0.329 nan 8.230 nan 0.000 0.435 212 Q N -0.059 119.995 119.800 0.423 0.000 2.084 212 Q HA -0.197 4.157 4.340 0.023 0.000 0.202 212 Q C 2.455 178.550 176.000 0.158 0.000 0.978 212 Q CA 1.667 57.589 55.803 0.198 0.000 0.844 212 Q CB -0.221 28.540 28.738 0.038 0.000 0.898 212 Q HN 0.559 nan 8.270 nan 0.000 0.426 213 A N 1.187 124.108 122.820 0.168 0.000 1.933 213 A HA -0.236 4.097 4.320 0.023 0.000 0.218 213 A C 1.680 179.385 177.584 0.203 0.000 1.175 213 A CA 1.849 53.967 52.037 0.135 0.000 0.628 213 A CB -0.584 18.479 19.000 0.106 0.000 0.814 213 A HN 0.401 nan 8.150 nan 0.000 0.444 214 D N -1.559 119.042 120.400 0.336 0.000 2.117 214 D HA -0.169 4.485 4.640 0.023 0.000 0.197 214 D C 1.626 178.172 176.300 0.410 0.000 0.987 214 D CA 1.411 55.663 54.000 0.421 0.000 0.829 214 D CB -0.221 40.917 40.800 0.564 0.000 0.961 214 D HN 0.385 nan 8.370 nan 0.000 0.460 215 F N 1.294 121.322 119.950 0.130 0.000 2.102 215 F HA -0.089 4.455 4.527 0.029 0.000 0.298 215 F C 2.155 177.852 175.800 -0.170 0.000 1.105 215 F CA 1.533 59.244 58.000 -0.483 0.000 1.239 215 F CB -0.241 38.250 39.000 -0.848 0.000 0.991 215 F HN -0.177 nan 8.300 nan 0.000 0.474 216 K N 0.365 120.768 120.400 0.005 0.000 2.032 216 K HA -0.217 4.116 4.320 0.023 0.000 0.209 216 K C 2.213 178.762 176.600 -0.085 0.000 1.048 216 K CA 1.448 57.704 56.287 -0.052 0.000 0.927 216 K CB -0.506 31.997 32.500 0.004 0.000 0.712 216 K HN 0.345 nan 8.250 nan 0.000 0.441 217 A N 0.924 123.741 122.820 -0.005 0.000 1.902 217 A HA -0.096 4.238 4.320 0.023 0.000 0.217 217 A C 2.341 179.933 177.584 0.014 0.000 1.181 217 A CA 1.886 53.934 52.037 0.020 0.000 0.623 217 A CB -0.867 18.182 19.000 0.081 0.000 0.818 217 A HN 0.506 nan 8.150 nan 0.000 0.443 218 A N -0.123 122.717 122.820 0.034 0.000 1.877 218 A HA 0.136 4.470 4.320 0.023 0.000 0.216 218 A C 2.515 180.162 177.584 0.104 0.000 1.186 218 A CA 2.223 54.336 52.037 0.128 0.000 0.620 218 A CB -1.048 18.077 19.000 0.208 0.000 0.822 218 A HN 1.078 nan 8.150 nan 0.000 0.443 219 A N -0.268 122.453 122.820 -0.165 0.000 1.930 219 A HA 0.192 4.526 4.320 0.023 0.000 0.217 219 A C 2.490 179.902 177.584 -0.287 0.000 1.175 219 A CA 1.995 53.815 52.037 -0.361 0.000 0.627 219 A CB -0.963 17.750 19.000 -0.479 0.000 0.815 219 A HN 1.054 nan 8.150 nan 0.000 0.443 220 A N -0.057 122.650 122.820 -0.188 0.000 1.933 220 A HA 0.163 4.496 4.320 0.023 0.000 0.218 220 A C 2.473 179.981 177.584 -0.127 0.000 1.175 220 A CA 1.973 53.916 52.037 -0.156 0.000 0.628 220 A CB -0.977 17.963 19.000 -0.099 0.000 0.814 220 A HN 1.080 nan 8.150 nan 0.000 0.444 221 A N -0.164 122.617 122.820 -0.066 0.000 1.978 221 A HA 0.004 4.338 4.320 0.023 0.000 0.220 221 A C 1.928 179.484 177.584 -0.047 0.000 1.170 221 A CA 1.899 53.920 52.037 -0.026 0.000 0.636 221 A CB -0.907 18.116 19.000 0.039 0.000 0.810 221 A HN 1.222 nan 8.150 nan 0.000 0.448 222 V N -4.109 115.752 119.914 -0.088 0.000 3.342 222 V HA 0.568 4.701 4.120 0.023 0.000 0.322 222 V C 1.110 177.055 176.094 -0.249 0.000 1.370 222 V CA 0.473 62.704 62.300 -0.115 0.000 1.170 222 V CB -0.876 30.908 31.823 -0.065 0.000 1.101 222 V HN 1.463 nan 8.190 nan 0.000 0.442 223 G N 0.859 109.479 108.800 -0.300 0.000 2.147 223 G HA2 -0.243 3.730 3.960 0.023 0.000 0.244 223 G HA3 -0.243 3.730 3.960 0.023 0.000 0.244 223 G C 0.055 174.509 174.900 -0.744 0.000 1.005 223 G CA 0.532 45.375 45.100 -0.427 0.000 0.713 223 G HN 0.739 nan 8.290 nan 0.000 0.515 224 H N -0.176 118.504 119.070 -0.650 0.000 2.317 224 H HA 0.206 4.776 4.556 0.023 0.000 0.231 224 H C -1.624 173.346 175.328 -0.597 0.000 1.442 224 H CA -0.766 54.738 56.048 -0.906 0.000 1.336 224 H CB 1.412 29.970 29.762 -2.007 0.000 1.533 224 H HN 0.265 nan 8.280 nan 0.000 0.522 225 P HA -0.145 nan 4.420 nan 0.000 0.225 225 P C 1.336 178.578 177.300 -0.097 0.000 1.148 225 P CA 0.972 63.964 63.100 -0.180 0.000 0.779 225 P CB 0.472 32.082 31.700 -0.151 0.000 0.780 226 E N -1.405 118.739 120.200 -0.093 0.000 2.385 226 E HA -0.096 4.268 4.350 0.023 0.000 0.194 226 E C 0.310 177.004 176.600 0.158 0.000 1.013 226 E CA 0.009 56.415 56.400 0.009 0.000 0.866 226 E CB -0.742 28.960 29.700 0.003 0.000 0.832 226 E HN 0.125 nan 8.360 nan 0.000 0.500 227 W N 2.383 123.682 121.300 -0.002 0.000 2.193 227 W HA 0.207 4.882 4.660 0.026 0.000 0.338 227 W C 0.590 177.202 176.519 0.156 0.000 1.310 227 W CA -0.330 57.041 57.345 0.044 0.000 1.243 227 W CB 0.185 29.642 29.460 -0.004 0.000 1.165 227 W HN 0.020 nan 8.180 nan 0.000 0.566 228 E N 0.991 121.337 120.200 0.243 0.000 2.423 228 E HA 0.373 4.737 4.350 0.023 0.000 0.269 228 E C -0.879 175.490 176.600 -0.385 0.000 0.948 228 E CA -1.208 55.122 56.400 -0.116 0.000 0.802 228 E CB 1.234 30.832 29.700 -0.170 0.000 1.339 228 E HN -0.112 nan 8.360 nan 0.000 0.445 229 F N 2.072 121.552 119.950 -0.783 0.000 2.595 229 F HA 0.101 4.639 4.527 0.017 0.000 0.359 229 F C -1.568 173.733 175.800 -0.832 0.000 1.147 229 F CA -2.172 55.170 58.000 -1.096 0.000 1.341 229 F CB -0.665 37.713 39.000 -1.036 0.000 1.104 229 F HN 0.135 nan 8.300 nan 0.000 0.603 230 P HA 0.034 nan 4.420 nan 0.000 0.265 230 P C -0.147 176.897 177.300 -0.426 0.000 1.193 230 P CA -0.087 62.626 63.100 -0.646 0.000 0.765 230 P CB 0.511 31.600 31.700 -1.018 0.000 0.823 231 N N 0.566 119.117 118.700 -0.247 0.000 2.234 231 N HA -0.010 4.744 4.740 0.023 0.000 0.227 231 N C -0.289 175.155 175.510 -0.111 0.000 1.151 231 N CA -0.191 52.769 53.050 -0.150 0.000 0.865 231 N CB -0.267 38.160 38.487 -0.100 0.000 1.066 231 N HN 0.251 nan 8.380 nan 0.000 0.515 232 D N -0.270 120.059 120.400 -0.117 0.000 2.788 232 D HA 0.051 4.704 4.640 0.023 0.000 0.289 232 D C 0.707 177.005 176.300 -0.003 0.000 1.340 232 D CA -0.616 53.361 54.000 -0.037 0.000 0.831 232 D CB -0.179 40.624 40.800 0.005 0.000 1.103 232 D HN 0.101 nan 8.370 nan 0.000 0.476 233 V N -3.917 115.966 119.914 -0.051 0.000 3.578 233 V HA 0.564 4.698 4.120 0.023 0.000 0.290 233 V C 1.269 177.446 176.094 0.139 0.000 1.376 233 V CA 0.320 62.637 62.300 0.028 0.000 1.083 233 V CB -0.316 31.448 31.823 -0.098 0.000 0.911 233 V HN 0.422 nan 8.190 nan 0.000 0.433 234 G N 1.102 109.932 108.800 0.051 0.000 2.566 234 G HA2 -0.242 3.731 3.960 0.023 0.000 0.280 234 G HA3 -0.242 3.731 3.960 0.023 0.000 0.280 234 G C -0.325 174.569 174.900 -0.010 0.000 1.225 234 G CA 0.734 45.853 45.100 0.032 0.000 0.966 234 G HN 0.780 nan 8.290 nan 0.000 0.560 235 Q N -2.173 117.624 119.800 -0.005 0.000 2.615 235 Q HA 0.553 4.907 4.340 0.023 0.000 0.298 235 Q C 0.692 176.698 176.000 0.010 0.000 1.023 235 Q CA -0.903 54.890 55.803 -0.017 0.000 0.768 235 Q CB 1.202 30.000 28.738 0.100 0.000 1.500 235 Q HN 0.485 nan 8.270 nan 0.000 0.441 236 Y N 0.716 121.105 120.300 0.150 0.000 2.062 236 Y HA -0.281 4.284 4.550 0.025 0.000 0.276 236 Y C 1.578 177.609 175.900 0.219 0.000 1.189 236 Y CA 1.845 60.082 58.100 0.228 0.000 1.130 236 Y CB -0.112 38.530 38.460 0.303 0.000 0.959 236 Y HN 0.503 nan 8.280 nan 0.000 0.499 237 N N 0.089 118.948 118.700 0.264 0.000 2.268 237 N HA 0.005 4.759 4.740 0.023 0.000 0.204 237 N C -0.563 174.976 175.510 0.049 0.000 1.124 237 N CA 0.189 53.302 53.050 0.105 0.000 0.838 237 N CB -0.191 38.313 38.487 0.028 0.000 0.994 237 N HN 0.295 nan 8.380 nan 0.000 0.489 238 D N 0.610 121.030 120.400 0.034 0.000 2.361 238 D HA 0.048 4.702 4.640 0.023 0.000 0.239 238 D C 1.000 177.234 176.300 -0.109 0.000 1.200 238 D CA 0.466 54.446 54.000 -0.033 0.000 0.915 238 D CB 0.985 41.757 40.800 -0.046 0.000 1.170 238 D HN 0.169 nan 8.370 nan 0.000 0.444 239 T N -2.648 111.804 114.554 -0.170 0.000 2.952 239 T HA 0.416 4.779 4.350 0.023 0.000 0.286 239 T C -2.036 172.377 174.700 -0.479 0.000 1.024 239 T CA -1.728 60.114 62.100 -0.431 0.000 1.029 239 T CB 1.824 70.568 68.868 -0.206 0.000 1.094 239 T HN -0.066 nan 8.240 nan 0.000 0.515 240 P HA -0.060 nan 4.420 nan 0.000 0.216 240 P C 1.320 178.548 177.300 -0.119 0.000 1.150 240 P CA 0.910 63.775 63.100 -0.391 0.000 0.837 240 P CB 0.090 31.523 31.700 -0.445 0.000 0.786 241 E N -0.958 119.172 120.200 -0.115 0.000 2.478 241 E HA -0.047 4.317 4.350 0.023 0.000 0.198 241 E C 1.649 178.243 176.600 -0.010 0.000 1.046 241 E CA 0.427 56.811 56.400 -0.027 0.000 0.870 241 E CB -0.299 29.395 29.700 -0.011 0.000 0.818 241 E HN 0.226 nan 8.360 nan 0.000 0.527 242 R N 0.839 121.322 120.500 -0.028 0.000 2.316 242 R HA 0.007 4.360 4.340 0.023 0.000 0.202 242 R C 1.073 177.389 176.300 0.028 0.000 1.029 242 R CA 0.456 56.554 56.100 -0.004 0.000 1.018 242 R CB -0.380 29.910 30.300 -0.018 0.000 0.888 242 R HN 0.190 nan 8.270 nan 0.000 0.471 243 T N -3.372 111.218 114.554 0.060 0.000 2.900 243 T HA 0.276 4.640 4.350 0.023 0.000 0.295 243 T C 0.740 175.502 174.700 0.104 0.000 1.044 243 T CA -0.870 61.296 62.100 0.110 0.000 0.995 243 T CB 2.554 71.567 68.868 0.242 0.000 1.072 243 T HN -0.216 nan 8.240 nan 0.000 0.473 244 Q N 0.647 120.498 119.800 0.084 0.000 2.245 244 Q HA 0.070 4.423 4.340 0.023 0.000 0.201 244 Q C 1.379 177.421 176.000 0.070 0.000 0.955 244 Q CA 0.918 56.758 55.803 0.060 0.000 0.870 244 Q CB -0.311 28.447 28.738 0.033 0.000 0.945 244 Q HN 0.849 nan 8.270 nan 0.000 0.461 245 F N -0.173 119.723 119.950 -0.091 0.000 2.128 245 F HA -0.135 4.405 4.527 0.021 0.000 0.295 245 F C 1.334 177.048 175.800 -0.144 0.000 1.100 245 F CA 1.193 59.058 58.000 -0.226 0.000 1.260 245 F CB 0.015 38.705 39.000 -0.517 0.000 1.009 245 F HN -0.067 nan 8.300 nan 0.000 0.476 246 F N 0.681 120.737 119.950 0.177 0.000 2.749 246 F HA 0.194 4.726 4.527 0.009 0.000 0.300 246 F C 1.172 176.945 175.800 -0.045 0.000 1.103 246 F CA -0.365 57.632 58.000 -0.006 0.000 1.342 246 F CB -0.618 38.348 39.000 -0.057 0.000 1.098 246 F HN -0.216 nan 8.300 nan 0.000 0.586 247 R N 0.632 121.233 120.500 0.168 0.000 2.784 247 R HA 0.035 4.388 4.340 0.023 0.000 0.266 247 R C -0.241 176.151 176.300 0.153 0.000 1.044 247 R CA -0.629 55.535 56.100 0.106 0.000 1.151 247 R CB 0.137 30.479 30.300 0.069 0.000 1.037 247 R HN -0.084 nan 8.270 nan 0.000 0.478 248 D N 1.014 121.481 120.400 0.112 0.000 2.493 248 D HA -0.060 4.594 4.640 0.023 0.000 0.240 248 D C -0.149 176.205 176.300 0.090 0.000 1.142 248 D CA 0.809 54.887 54.000 0.130 0.000 0.872 248 D CB 0.182 41.029 40.800 0.078 0.000 1.173 248 D HN 0.681 nan 8.370 nan 0.000 0.467 249 N N 1.501 120.245 118.700 0.072 0.000 2.782 249 N HA -0.131 4.622 4.740 0.023 0.000 0.251 249 N C 0.456 175.921 175.510 -0.075 0.000 1.101 249 N CA 1.052 54.080 53.050 -0.036 0.000 0.764 249 N CB -1.462 37.009 38.487 -0.027 0.000 1.122 249 N HN 0.518 nan 8.380 nan 0.000 0.561 250 G N -0.077 108.703 108.800 -0.033 0.000 2.535 250 G HA2 0.330 4.303 3.960 0.023 0.000 0.282 250 G HA3 0.330 4.303 3.960 0.023 0.000 0.282 250 G C 1.108 175.858 174.900 -0.249 0.000 1.350 250 G CA 0.468 45.531 45.100 -0.062 0.000 1.039 250 G HN 0.235 nan 8.290 nan 0.000 0.509 251 T N -2.545 111.860 114.554 -0.248 0.000 3.118 251 T HA -0.118 4.246 4.350 0.023 0.000 0.260 251 T C 1.840 176.194 174.700 -0.577 0.000 1.139 251 T CA 1.438 63.352 62.100 -0.310 0.000 1.085 251 T CB -0.468 68.325 68.868 -0.125 0.000 0.934 251 T HN 0.645 nan 8.240 nan 0.000 0.518 252 Y N 1.314 120.980 120.300 -1.057 0.000 2.384 252 Y HA 0.173 4.735 4.550 0.020 0.000 0.289 252 Y C 1.670 177.322 175.900 -0.413 0.000 1.152 252 Y CA 0.375 57.782 58.100 -1.155 0.000 1.258 252 Y CB -0.779 37.018 38.460 -1.104 0.000 0.979 252 Y HN 0.224 nan 8.280 nan 0.000 0.549 253 L N 0.804 121.493 121.223 -0.890 0.000 2.492 253 L HA 0.041 4.395 4.340 0.023 0.000 0.223 253 L C 1.512 178.208 176.870 -0.290 0.000 1.132 253 L CA 0.294 54.766 54.840 -0.613 0.000 0.850 253 L CB -0.494 41.176 42.059 -0.649 0.000 0.966 253 L HN 0.336 nan 8.230 nan 0.000 0.454 254 S N -1.062 114.482 115.700 -0.259 0.000 2.608 254 S HA -0.036 4.448 4.470 0.023 0.000 0.261 254 S C 1.121 175.653 174.600 -0.113 0.000 1.314 254 S CA -0.409 57.694 58.200 -0.162 0.000 0.992 254 S CB 1.218 64.320 63.200 -0.162 0.000 0.935 254 S HN 0.272 nan 8.310 nan 0.000 0.564 255 E N 1.046 121.195 120.200 -0.084 0.000 2.058 255 E HA -0.222 4.141 4.350 0.023 0.000 0.194 255 E C 1.795 178.266 176.600 -0.215 0.000 0.997 255 E CA 1.431 57.801 56.400 -0.051 0.000 0.801 255 E CB -0.188 29.531 29.700 0.032 0.000 0.746 255 E HN 0.731 nan 8.360 nan 0.000 0.450 256 K N -0.483 119.645 120.400 -0.453 0.000 2.097 256 K HA -0.066 4.267 4.320 0.023 0.000 0.205 256 K C 2.153 178.569 176.600 -0.306 0.000 1.050 256 K CA 0.970 56.732 56.287 -0.875 0.000 0.938 256 K CB -0.229 31.718 32.500 -0.921 0.000 0.718 256 K HN 0.220 nan 8.250 nan 0.000 0.442 257 G N 1.382 110.105 108.800 -0.129 0.000 2.421 257 G HA2 -0.256 3.717 3.960 0.023 0.000 0.216 257 G HA3 -0.256 3.717 3.960 0.023 0.000 0.216 257 G C 1.445 176.412 174.900 0.111 0.000 1.171 257 G CA 0.530 45.675 45.100 0.075 0.000 0.775 257 G HN 0.198 nan 8.290 nan 0.000 0.543 258 R N -0.872 119.673 120.500 0.074 0.000 2.096 258 R HA -0.019 4.334 4.340 0.023 0.000 0.235 258 R C 2.308 178.719 176.300 0.184 0.000 1.127 258 R CA 1.229 57.433 56.100 0.174 0.000 0.968 258 R CB -0.513 29.898 30.300 0.185 0.000 0.861 258 R HN 0.433 nan 8.270 nan 0.000 0.440 259 F N 0.780 120.758 119.950 0.047 0.000 2.102 259 F HA -0.213 4.326 4.527 0.020 0.000 0.298 259 F C 2.025 177.954 175.800 0.215 0.000 1.105 259 F CA 1.282 59.357 58.000 0.126 0.000 1.239 259 F CB -0.378 38.666 39.000 0.072 0.000 0.991 259 F HN -0.078 nan 8.300 nan 0.000 0.474 260 F N 0.794 120.822 119.950 0.129 0.000 2.102 260 F HA -0.171 4.373 4.527 0.029 0.000 0.298 260 F C 1.868 177.651 175.800 -0.029 0.000 1.105 260 F CA 1.801 59.864 58.000 0.106 0.000 1.239 260 F CB -0.745 38.196 39.000 -0.098 0.000 0.991 260 F HN -0.027 nan 8.300 nan 0.000 0.474 261 L N 0.002 121.003 121.223 -0.369 0.000 2.046 261 L HA -0.180 4.174 4.340 0.023 0.000 0.208 261 L C 2.833 179.390 176.870 -0.522 0.000 1.077 261 L CA 1.169 55.593 54.840 -0.694 0.000 0.747 261 L CB -1.257 40.165 42.059 -1.062 0.000 0.896 261 L HN 0.267 nan 8.230 nan 0.000 0.432 262 A N -0.443 122.253 122.820 -0.207 0.000 1.877 262 A HA -0.284 4.050 4.320 0.023 0.000 0.216 262 A C 2.011 179.566 177.584 -0.048 0.000 1.186 262 A CA 1.691 53.761 52.037 0.055 0.000 0.620 262 A CB -1.126 17.948 19.000 0.124 0.000 0.822 262 A HN 0.635 nan 8.150 nan 0.000 0.443 263 W N -0.677 120.413 121.300 -0.350 0.000 2.335 263 W HA -0.260 4.411 4.660 0.020 0.000 0.311 263 W C 2.039 178.470 176.519 -0.146 0.000 1.213 263 W CA 2.132 59.316 57.345 -0.268 0.000 1.274 263 W CB -0.603 28.691 29.460 -0.276 0.000 1.148 263 W HN 0.443 nan 8.180 nan 0.000 0.498 264 Y N 1.751 121.760 120.300 -0.485 0.000 2.145 264 Y HA -0.239 4.327 4.550 0.028 0.000 0.286 264 Y C 2.928 178.618 175.900 -0.351 0.000 1.145 264 Y CA 3.012 60.686 58.100 -0.710 0.000 1.148 264 Y CB -0.911 37.022 38.460 -0.878 0.000 0.981 264 Y HN 0.057 nan 8.280 nan 0.000 0.507 265 S N -0.345 115.282 115.700 -0.121 0.000 2.406 265 S HA -0.141 4.343 4.470 0.023 0.000 0.228 265 S C 1.743 176.296 174.600 -0.077 0.000 1.020 265 S CA 1.088 59.263 58.200 -0.042 0.000 0.965 265 S CB -0.554 62.714 63.200 0.114 0.000 0.798 265 S HN 0.460 nan 8.310 nan 0.000 0.488 266 N N 2.731 121.367 118.700 -0.105 0.000 2.166 266 N HA -0.006 4.748 4.740 0.023 0.000 0.186 266 N C 1.484 176.905 175.510 -0.147 0.000 1.019 266 N CA 1.014 54.008 53.050 -0.092 0.000 0.856 266 N CB -0.805 37.638 38.487 -0.073 0.000 0.993 266 N HN 0.391 nan 8.380 nan 0.000 0.426 267 N N 0.928 119.450 118.700 -0.296 0.000 2.166 267 N HA -0.028 4.725 4.740 0.023 0.000 0.186 267 N C 1.803 177.202 175.510 -0.186 0.000 1.019 267 N CA 0.424 53.303 53.050 -0.285 0.000 0.856 267 N CB -0.264 37.925 38.487 -0.496 0.000 0.993 267 N HN 0.266 nan 8.380 nan 0.000 0.426 268 L N 0.383 121.469 121.223 -0.228 0.000 2.046 268 L HA -0.095 4.258 4.340 0.023 0.000 0.208 268 L C 2.106 178.961 176.870 -0.025 0.000 1.077 268 L CA 0.781 55.505 54.840 -0.193 0.000 0.747 268 L CB -0.309 41.601 42.059 -0.249 0.000 0.896 268 L HN 0.124 nan 8.230 nan 0.000 0.432 269 I N -0.240 120.318 120.570 -0.020 0.000 2.208 269 I HA -0.334 3.849 4.170 0.023 0.000 0.245 269 I C 2.534 178.669 176.117 0.029 0.000 1.097 269 I CA 1.479 62.789 61.300 0.016 0.000 1.363 269 I CB -0.278 37.731 38.000 0.014 0.000 1.051 269 I HN 0.206 nan 8.210 nan 0.000 0.413 270 K N -0.484 119.928 120.400 0.020 0.000 2.097 270 K HA -0.242 4.092 4.320 0.023 0.000 0.205 270 K C 2.150 178.792 176.600 0.070 0.000 1.050 270 K CA 1.529 57.840 56.287 0.040 0.000 0.938 270 K CB -0.381 32.135 32.500 0.026 0.000 0.718 270 K HN 0.345 nan 8.250 nan 0.000 0.442 271 H N 0.485 119.532 119.070 -0.038 0.000 2.290 271 H HA -0.106 4.464 4.556 0.024 0.000 0.298 271 H C 2.019 177.336 175.328 -0.018 0.000 1.087 271 H CA 2.199 58.232 56.048 -0.024 0.000 1.291 271 H CB -0.569 29.166 29.762 -0.046 0.000 1.369 271 H HN 0.228 nan 8.280 nan 0.000 0.492 272 G N -0.501 108.269 108.800 -0.051 0.000 2.440 272 G HA2 -0.331 3.643 3.960 0.023 0.000 0.218 272 G HA3 -0.331 3.643 3.960 0.023 0.000 0.218 272 G C 1.581 176.414 174.900 -0.112 0.000 1.154 272 G CA 1.043 46.068 45.100 -0.125 0.000 0.767 272 G HN 0.543 nan 8.290 nan 0.000 0.552 273 D N 0.797 121.187 120.400 -0.016 0.000 2.097 273 D HA -0.133 4.520 4.640 0.023 0.000 0.195 273 D C 2.748 179.055 176.300 0.012 0.000 0.989 273 D CA 1.343 55.384 54.000 0.068 0.000 0.827 273 D CB -0.211 40.665 40.800 0.127 0.000 0.966 273 D HN 0.464 nan 8.370 nan 0.000 0.456 274 R N 0.360 120.856 120.500 -0.007 0.000 2.090 274 R HA -0.026 4.328 4.340 0.023 0.000 0.228 274 R C 2.392 178.657 176.300 -0.058 0.000 1.110 274 R CA 1.128 57.224 56.100 -0.007 0.000 0.973 274 R CB -0.774 29.533 30.300 0.012 0.000 0.869 274 R HN 0.271 nan 8.270 nan 0.000 0.440 275 I N 1.463 121.957 120.570 -0.127 0.000 2.353 275 I HA -0.179 4.005 4.170 0.023 0.000 0.248 275 I C 2.367 178.397 176.117 -0.145 0.000 1.119 275 I CA 0.900 62.120 61.300 -0.133 0.000 1.417 275 I CB -0.187 37.684 38.000 -0.214 0.000 1.078 275 I HN 0.066 nan 8.210 nan 0.000 0.421 276 L N 0.414 121.486 121.223 -0.251 0.000 2.083 276 L HA -0.252 4.101 4.340 0.023 0.000 0.209 276 L C 2.159 178.815 176.870 -0.355 0.000 1.083 276 L CA 1.450 56.053 54.840 -0.394 0.000 0.752 276 L CB -0.574 41.037 42.059 -0.747 0.000 0.899 276 L HN 0.271 nan 8.230 nan 0.000 0.433 277 D N -0.254 120.015 120.400 -0.219 0.000 2.117 277 D HA -0.204 4.450 4.640 0.023 0.000 0.197 277 D C 2.136 178.459 176.300 0.039 0.000 0.987 277 D CA 1.083 55.118 54.000 0.058 0.000 0.829 277 D CB 0.197 41.090 40.800 0.155 0.000 0.961 277 D HN 0.192 nan 8.370 nan 0.000 0.460 278 E N 0.118 120.322 120.200 0.006 0.000 2.072 278 E HA -0.141 4.223 4.350 0.023 0.000 0.191 278 E C 2.167 178.790 176.600 0.039 0.000 0.985 278 E CA 0.992 57.404 56.400 0.020 0.000 0.801 278 E CB -0.450 29.256 29.700 0.010 0.000 0.750 278 E HN 0.373 nan 8.360 nan 0.000 0.452 279 A N 2.281 125.131 122.820 0.051 0.000 1.902 279 A HA -0.232 4.102 4.320 0.023 0.000 0.217 279 A C 2.075 179.786 177.584 0.212 0.000 1.181 279 A CA 1.710 53.841 52.037 0.155 0.000 0.623 279 A CB -0.730 18.354 19.000 0.140 0.000 0.818 279 A HN 0.253 nan 8.150 nan 0.000 0.443 280 N N -0.017 118.761 118.700 0.131 0.000 2.120 280 N HA -0.179 4.575 4.740 0.023 0.000 0.188 280 N C 1.675 177.267 175.510 0.137 0.000 1.024 280 N CA 1.698 54.845 53.050 0.160 0.000 0.852 280 N CB -0.233 38.356 38.487 0.170 0.000 1.003 280 N HN 0.535 nan 8.380 nan 0.000 0.424 281 K N 0.313 120.767 120.400 0.089 0.000 2.057 281 K HA -0.068 4.266 4.320 0.023 0.000 0.207 281 K C 2.113 178.720 176.600 0.012 0.000 1.049 281 K CA 0.979 57.298 56.287 0.053 0.000 0.931 281 K CB -0.015 32.507 32.500 0.037 0.000 0.714 281 K HN 0.043 nan 8.250 nan 0.000 0.440 282 V N 0.530 120.412 119.914 -0.054 0.000 2.295 282 V HA -0.209 3.925 4.120 0.023 0.000 0.246 282 V C 1.671 177.575 176.094 -0.317 0.000 1.049 282 V CA 1.715 63.857 62.300 -0.264 0.000 1.024 282 V CB -0.399 31.130 31.823 -0.490 0.000 0.648 282 V HN 0.175 nan 8.190 nan 0.000 0.447 283 F N -0.687 119.325 119.950 0.104 0.000 2.732 283 F HA 0.334 4.875 4.527 0.022 0.000 0.303 283 F C 0.718 176.666 175.800 0.248 0.000 1.110 283 F CA -0.754 57.345 58.000 0.165 0.000 1.355 283 F CB -0.340 38.713 39.000 0.087 0.000 1.081 283 F HN 0.032 nan 8.300 nan 0.000 0.565 284 L N 1.030 122.407 121.223 0.257 0.000 2.640 284 L HA 0.219 4.573 4.340 0.023 0.000 0.280 284 L C 1.279 178.234 176.870 0.141 0.000 1.229 284 L CA 1.100 56.043 54.840 0.172 0.000 0.919 284 L CB -0.073 42.045 42.059 0.099 0.000 1.168 284 L HN 0.499 nan 8.230 nan 0.000 0.496 285 G N 2.192 111.037 108.800 0.075 0.000 2.225 285 G HA2 -0.328 3.646 3.960 0.023 0.000 0.254 285 G HA3 -0.328 3.646 3.960 0.023 0.000 0.254 285 G C 0.101 174.917 174.900 -0.140 0.000 0.988 285 G CA 0.279 45.345 45.100 -0.057 0.000 0.625 285 G HN 0.616 nan 8.290 nan 0.000 0.527 286 Y N 0.621 120.981 120.300 0.100 0.000 2.307 286 Y HA 0.533 5.097 4.550 0.023 0.000 0.324 286 Y C 1.268 177.216 175.900 0.081 0.000 1.238 286 Y CA -0.220 57.943 58.100 0.105 0.000 1.280 286 Y CB 0.899 39.466 38.460 0.178 0.000 1.248 286 Y HN -0.042 nan 8.280 nan 0.000 0.508 287 K N 2.854 123.383 120.400 0.216 0.000 2.502 287 K HA 0.307 4.641 4.320 0.023 0.000 0.244 287 K C -1.134 175.540 176.600 0.122 0.000 1.249 287 K CA -0.256 56.112 56.287 0.134 0.000 1.193 287 K CB -0.348 32.213 32.500 0.102 0.000 1.674 287 K HN 0.425 nan 8.250 nan 0.000 0.302 288 V N -2.312 117.667 119.914 0.107 0.000 3.040 288 V HA 0.454 4.587 4.120 0.023 0.000 0.312 288 V C -0.669 175.431 176.094 0.010 0.000 1.115 288 V CA -1.111 61.208 62.300 0.032 0.000 0.998 288 V CB 1.821 33.610 31.823 -0.057 0.000 1.042 288 V HN 0.271 nan 8.190 nan 0.000 0.433 289 Q N 2.179 121.964 119.800 -0.024 0.000 2.245 289 Q HA 0.799 5.153 4.340 0.023 0.000 0.256 289 Q C -0.749 175.188 176.000 -0.105 0.000 0.942 289 Q CA -0.771 55.002 55.803 -0.049 0.000 0.896 289 Q CB 1.729 30.440 28.738 -0.045 0.000 1.272 289 Q HN 0.852 nan 8.270 nan 0.000 0.442 290 L N 1.504 122.673 121.223 -0.090 0.000 2.307 290 L HA 0.882 5.236 4.340 0.023 0.000 0.282 290 L C 0.070 176.884 176.870 -0.094 0.000 1.051 290 L CA -0.848 53.924 54.840 -0.113 0.000 0.804 290 L CB 1.585 43.605 42.059 -0.066 0.000 1.197 290 L HN 1.006 nan 8.230 nan 0.000 0.431 291 A N 3.963 126.718 122.820 -0.109 0.000 2.454 291 A HA 0.872 5.205 4.320 0.023 0.000 0.302 291 A C -0.805 176.727 177.584 -0.086 0.000 1.079 291 A CA -0.582 51.404 52.037 -0.086 0.000 0.731 291 A CB 1.872 20.819 19.000 -0.088 0.000 1.299 291 A HN 0.725 nan 8.150 nan 0.000 0.413 292 I N -1.947 118.586 120.570 -0.062 0.000 2.910 292 I HA 0.739 4.922 4.170 0.023 0.000 0.310 292 I C -0.715 175.382 176.117 -0.034 0.000 1.043 292 I CA -0.977 60.290 61.300 -0.056 0.000 1.053 292 I CB 2.190 40.164 38.000 -0.043 0.000 1.242 292 I HN 0.476 nan 8.210 nan 0.000 0.452 293 K N 4.505 124.888 120.400 -0.029 0.000 2.274 293 K HA 0.624 4.958 4.320 0.023 0.000 0.262 293 K C -1.210 175.419 176.600 0.049 0.000 0.961 293 K CA -0.460 55.825 56.287 -0.003 0.000 0.833 293 K CB 2.282 34.757 32.500 -0.042 0.000 1.102 293 K HN 0.521 nan 8.250 nan 0.000 0.436 294 I N 2.042 122.681 120.570 0.115 0.000 2.354 294 I HA 0.154 4.337 4.170 0.023 0.000 0.292 294 I C 0.122 176.377 176.117 0.230 0.000 0.989 294 I CA -0.591 60.817 61.300 0.180 0.000 1.188 294 I CB 1.916 39.974 38.000 0.096 0.000 1.342 294 I HN 0.544 nan 8.210 nan 0.000 0.457 295 S N 3.712 119.595 115.700 0.305 0.000 2.572 295 S HA 0.246 4.730 4.470 0.023 0.000 0.279 295 S C 0.523 175.259 174.600 0.226 0.000 1.341 295 S CA -0.540 57.815 58.200 0.258 0.000 1.043 295 S CB 1.037 64.467 63.200 0.383 0.000 0.887 295 S HN 0.837 nan 8.310 nan 0.000 0.516 296 G N 2.081 110.875 108.800 -0.010 0.000 2.741 296 G HA2 0.460 4.434 3.960 0.023 0.000 0.336 296 G HA3 0.460 4.434 3.960 0.023 0.000 0.336 296 G C -0.270 174.641 174.900 0.019 0.000 1.022 296 G CA -0.470 44.571 45.100 -0.100 0.000 1.193 296 G HN 0.581 nan 8.290 nan 0.000 0.455 297 I N 3.876 124.411 120.570 -0.057 0.000 2.257 297 I HA 0.136 4.320 4.170 0.023 0.000 0.290 297 I C 1.093 176.973 176.117 -0.394 0.000 1.137 297 I CA -0.671 60.236 61.300 -0.656 0.000 1.255 297 I CB -0.317 37.364 38.000 -0.532 0.000 1.485 297 I HN 0.726 nan 8.210 nan 0.000 0.534 298 H N 2.897 121.897 119.070 -0.117 0.000 2.512 298 H HA 0.015 4.586 4.556 0.025 0.000 0.279 298 H C 0.376 175.801 175.328 0.163 0.000 0.999 298 H CA -0.532 55.565 56.048 0.081 0.000 1.283 298 H CB -0.446 29.387 29.762 0.118 0.000 1.421 298 H HN 0.529 nan 8.280 nan 0.000 0.554 299 W N -0.163 120.997 121.300 -0.234 0.000 2.238 299 W HA 0.280 4.950 4.660 0.017 0.000 0.321 299 W C -0.521 175.875 176.519 -0.205 0.000 1.293 299 W CA -1.316 55.830 57.345 -0.331 0.000 1.204 299 W CB 0.236 29.373 29.460 -0.539 0.000 1.167 299 W HN 0.340 nan 8.180 nan 0.000 0.553 300 W N 0.616 121.981 121.300 0.107 0.000 2.303 300 W HA -0.377 4.303 4.660 0.033 0.000 0.267 300 W C 1.378 177.828 176.519 -0.114 0.000 1.054 300 W CA 0.680 58.008 57.345 -0.028 0.000 0.501 300 W CB -2.390 27.015 29.460 -0.091 0.000 2.076 300 W HN 0.708 nan 8.180 nan 0.000 1.317 301 Y N 1.172 121.435 120.300 -0.061 0.000 2.333 301 Y HA -0.155 4.408 4.550 0.022 0.000 0.290 301 Y C 2.166 177.870 175.900 -0.327 0.000 1.144 301 Y CA 2.363 60.347 58.100 -0.192 0.000 1.228 301 Y CB -0.115 38.367 38.460 0.037 0.000 0.985 301 Y HN -0.007 nan 8.280 nan 0.000 0.542 302 K N 0.049 120.471 120.400 0.037 0.000 2.432 302 K HA 0.030 4.364 4.320 0.023 0.000 0.196 302 K C 0.274 176.864 176.600 -0.016 0.000 1.038 302 K CA 0.625 56.935 56.287 0.039 0.000 0.986 302 K CB 0.084 32.634 32.500 0.083 0.000 0.782 302 K HN 0.204 nan 8.250 nan 0.000 0.485 303 V N -2.662 117.224 119.914 -0.047 0.000 2.850 303 V HA 0.293 4.427 4.120 0.023 0.000 0.315 303 V C -2.247 173.818 176.094 -0.048 0.000 1.064 303 V CA -2.097 60.216 62.300 0.021 0.000 0.979 303 V CB 1.781 33.692 31.823 0.146 0.000 1.039 303 V HN -0.182 nan 8.190 nan 0.000 0.452 304 P HA -0.104 nan 4.420 nan 0.000 0.216 304 P C 1.840 179.209 177.300 0.114 0.000 1.150 304 P CA 2.157 65.335 63.100 0.129 0.000 0.837 304 P CB 0.086 31.889 31.700 0.172 0.000 0.786 305 S N -2.365 113.264 115.700 -0.118 0.000 2.481 305 S HA -0.161 4.323 4.470 0.023 0.000 0.231 305 S C 0.743 175.330 174.600 -0.021 0.000 0.996 305 S CA 0.286 58.222 58.200 -0.440 0.000 0.942 305 S CB -1.366 61.557 63.200 -0.463 0.000 0.768 305 S HN 0.287 nan 8.310 nan 0.000 0.520 306 H N 0.362 119.398 119.070 -0.056 0.000 2.626 306 H HA -0.195 4.374 4.556 0.022 0.000 0.317 306 H C 1.468 176.805 175.328 0.015 0.000 1.140 306 H CA 0.408 56.465 56.048 0.016 0.000 1.134 306 H CB -1.551 28.206 29.762 -0.009 0.000 1.486 306 H HN 0.657 nan 8.280 nan 0.000 0.417 307 A N 0.639 123.448 122.820 -0.019 0.000 1.908 307 A HA -0.042 4.292 4.320 0.023 0.000 0.218 307 A C 2.479 179.911 177.584 -0.253 0.000 1.181 307 A CA 1.851 53.717 52.037 -0.285 0.000 0.627 307 A CB -0.454 17.999 19.000 -0.910 0.000 0.818 307 A HN 0.623 nan 8.150 nan 0.000 0.445 308 A N -0.489 122.264 122.820 -0.111 0.000 1.968 308 A HA -0.079 4.254 4.320 0.023 0.000 0.217 308 A C 1.874 179.365 177.584 -0.154 0.000 1.169 308 A CA 1.458 53.402 52.037 -0.156 0.000 0.638 308 A CB -0.430 18.396 19.000 -0.290 0.000 0.812 308 A HN 0.626 nan 8.150 nan 0.000 0.446 309 E N 0.086 120.271 120.200 -0.026 0.000 2.051 309 E HA -0.166 4.197 4.350 0.023 0.000 0.192 309 E C 1.912 178.598 176.600 0.143 0.000 0.991 309 E CA 1.255 57.740 56.400 0.143 0.000 0.799 309 E CB -0.319 29.567 29.700 0.311 0.000 0.748 309 E HN 0.625 nan 8.360 nan 0.000 0.449 310 L N 0.720 122.046 121.223 0.172 0.000 2.012 310 L HA -0.204 4.149 4.340 0.023 0.000 0.210 310 L C 2.883 179.896 176.870 0.238 0.000 1.073 310 L CA 1.783 56.785 54.840 0.270 0.000 0.748 310 L CB -1.155 41.166 42.059 0.436 0.000 0.891 310 L HN 0.352 nan 8.230 nan 0.000 0.431 311 T N -2.828 111.695 114.554 -0.051 0.000 2.951 311 T HA -0.010 4.353 4.350 0.023 0.000 0.268 311 T C 1.843 176.578 174.700 0.059 0.000 1.073 311 T CA 0.757 62.681 62.100 -0.294 0.000 1.134 311 T CB -0.214 68.300 68.868 -0.591 0.000 0.884 311 T HN 0.307 nan 8.240 nan 0.000 0.479 312 A N 1.171 124.002 122.820 0.018 0.000 2.066 312 A HA 0.506 4.840 4.320 0.023 0.000 0.218 312 A C 2.124 179.605 177.584 -0.173 0.000 1.157 312 A CA 0.993 52.991 52.037 -0.066 0.000 0.670 312 A CB -1.009 17.885 19.000 -0.176 0.000 0.804 312 A HN 1.421 nan 8.150 nan 0.000 0.453 313 G N -3.206 105.586 108.800 -0.014 0.000 2.159 313 G HA2 -0.161 3.813 3.960 0.023 0.000 0.170 313 G HA3 -0.161 3.813 3.960 0.023 0.000 0.170 313 G C -0.356 174.519 174.900 -0.042 0.000 1.007 313 G CA -0.027 45.067 45.100 -0.010 0.000 0.672 313 G HN 0.341 nan 8.290 nan 0.000 0.507 314 Y N 0.503 120.883 120.300 0.134 0.000 2.417 314 Y HA 0.526 5.091 4.550 0.025 0.000 0.336 314 Y C 0.111 176.031 175.900 0.034 0.000 0.961 314 Y CA -2.532 55.558 58.100 -0.017 0.000 1.215 314 Y CB 0.566 38.987 38.460 -0.065 0.000 1.120 314 Y HN 0.200 nan 8.280 nan 0.000 0.499 315 Y N 4.522 124.829 120.300 0.012 0.000 2.636 315 Y HA 0.265 4.830 4.550 0.025 0.000 0.334 315 Y C -0.563 175.270 175.900 -0.113 0.000 1.286 315 Y CA -1.292 56.809 58.100 0.001 0.000 1.688 315 Y CB -0.398 38.075 38.460 0.020 0.000 1.662 315 Y HN 0.565 nan 8.280 nan 0.000 0.465 316 N N 4.888 123.590 118.700 0.003 0.000 2.443 316 N HA 0.558 5.312 4.740 0.023 0.000 0.269 316 N C -1.632 173.598 175.510 -0.467 0.000 0.985 316 N CA -0.270 52.605 53.050 -0.291 0.000 0.921 316 N CB 0.842 39.141 38.487 -0.314 0.000 1.195 316 N HN 0.519 nan 8.380 nan 0.000 0.492 317 L N 1.247 122.203 121.223 -0.444 0.000 2.322 317 L HA 0.363 4.716 4.340 0.023 0.000 0.252 317 L C 1.470 178.198 176.870 -0.237 0.000 1.055 317 L CA -0.990 53.645 54.840 -0.342 0.000 0.849 317 L CB 1.400 43.440 42.059 -0.031 0.000 1.446 317 L HN 0.588 nan 8.230 nan 0.000 0.416 318 H N 1.272 120.280 119.070 -0.102 0.000 2.390 318 H HA -0.152 4.418 4.556 0.022 0.000 0.298 318 H C 0.357 175.649 175.328 -0.059 0.000 1.106 318 H CA 2.313 58.339 56.048 -0.036 0.000 1.297 318 H CB 0.430 30.214 29.762 0.036 0.000 1.375 318 H HN 0.738 nan 8.280 nan 0.000 0.509 319 D N -1.002 119.396 120.400 -0.004 0.000 2.462 319 D HA 0.091 4.745 4.640 0.023 0.000 0.221 319 D C 0.313 176.545 176.300 -0.114 0.000 1.173 319 D CA -0.260 53.712 54.000 -0.046 0.000 0.831 319 D CB -0.010 40.820 40.800 0.050 0.000 1.001 319 D HN 0.139 nan 8.370 nan 0.000 0.499 320 R N 0.819 121.213 120.500 -0.177 0.000 2.531 320 R HA 0.131 4.485 4.340 0.023 0.000 0.293 320 R C -1.653 174.496 176.300 -0.252 0.000 1.124 320 R CA -0.486 55.471 56.100 -0.239 0.000 0.945 320 R CB 1.068 31.148 30.300 -0.367 0.000 1.195 320 R HN -0.187 nan 8.270 nan 0.000 0.433 321 D N 3.209 123.489 120.400 -0.200 0.000 2.402 321 D HA 0.117 4.771 4.640 0.023 0.000 0.235 321 D C 0.837 177.009 176.300 -0.214 0.000 1.226 321 D CA 0.238 54.135 54.000 -0.171 0.000 0.918 321 D CB 1.195 41.930 40.800 -0.109 0.000 1.043 321 D HN 0.835 nan 8.370 nan 0.000 0.506 322 G N 2.304 110.904 108.800 -0.333 0.000 2.920 322 G HA2 -0.172 3.801 3.960 0.023 0.000 0.208 322 G HA3 -0.172 3.801 3.960 0.023 0.000 0.208 322 G C 0.640 175.191 174.900 -0.581 0.000 1.159 322 G CA 0.329 45.181 45.100 -0.414 0.000 0.784 322 G HN 0.445 nan 8.290 nan 0.000 0.535 323 Y N -0.915 119.312 120.300 -0.121 0.000 2.558 323 Y HA 0.302 4.866 4.550 0.022 0.000 0.273 323 Y C 2.560 178.374 175.900 -0.144 0.000 1.100 323 Y CA -0.231 57.760 58.100 -0.181 0.000 1.276 323 Y CB 0.007 38.296 38.460 -0.285 0.000 1.196 323 Y HN 0.062 nan 8.280 nan 0.000 0.527 324 R N 0.665 121.157 120.500 -0.014 0.000 2.148 324 R HA -0.129 4.225 4.340 0.023 0.000 0.227 324 R C 2.013 178.296 176.300 -0.027 0.000 1.103 324 R CA 1.828 57.913 56.100 -0.025 0.000 0.983 324 R CB -0.243 30.038 30.300 -0.033 0.000 0.874 324 R HN 0.498 nan 8.270 nan 0.000 0.451 325 T N -0.843 113.683 114.554 -0.046 0.000 2.708 325 T HA -0.134 4.230 4.350 0.023 0.000 0.266 325 T C 1.988 176.682 174.700 -0.010 0.000 1.037 325 T CA 1.405 63.487 62.100 -0.031 0.000 1.146 325 T CB -0.429 68.413 68.868 -0.043 0.000 0.865 325 T HN 0.185 nan 8.240 nan 0.000 0.435 326 I N 2.201 122.764 120.570 -0.011 0.000 2.163 326 I HA -0.160 4.024 4.170 0.023 0.000 0.243 326 I C 3.260 179.383 176.117 0.010 0.000 1.085 326 I CA 1.347 62.653 61.300 0.011 0.000 1.347 326 I CB -0.707 37.304 38.000 0.019 0.000 1.044 326 I HN 0.363 nan 8.210 nan 0.000 0.408 327 A N 0.683 123.501 122.820 -0.003 0.000 1.908 327 A HA -0.275 4.059 4.320 0.023 0.000 0.218 327 A C 2.412 180.003 177.584 0.012 0.000 1.181 327 A CA 2.036 54.070 52.037 -0.004 0.000 0.627 327 A CB -0.696 18.293 19.000 -0.019 0.000 0.818 327 A HN 0.378 nan 8.150 nan 0.000 0.445 328 R N -1.083 119.422 120.500 0.010 0.000 2.096 328 R HA -0.121 4.232 4.340 0.023 0.000 0.235 328 R C 2.227 178.536 176.300 0.015 0.000 1.127 328 R CA 1.703 57.810 56.100 0.011 0.000 0.968 328 R CB -0.295 30.008 30.300 0.006 0.000 0.861 328 R HN 0.517 nan 8.270 nan 0.000 0.440 329 M N 0.663 120.279 119.600 0.026 0.000 2.213 329 M HA -0.142 4.352 4.480 0.023 0.000 0.263 329 M C 1.627 177.984 176.300 0.095 0.000 1.062 329 M CA 1.664 56.993 55.300 0.049 0.000 1.105 329 M CB -0.256 32.379 32.600 0.059 0.000 1.385 329 M HN 0.305 nan 8.290 nan 0.000 0.417 330 L N -0.150 121.126 121.223 0.088 0.000 2.217 330 L HA -0.174 4.180 4.340 0.023 0.000 0.211 330 L C 2.462 179.385 176.870 0.088 0.000 1.107 330 L CA 0.811 55.728 54.840 0.128 0.000 0.783 330 L CB -0.709 41.387 42.059 0.062 0.000 0.919 330 L HN 0.332 nan 8.230 nan 0.000 0.442 331 K N 1.277 121.693 120.400 0.027 0.000 2.074 331 K HA -0.236 4.098 4.320 0.023 0.000 0.209 331 K C 2.333 178.911 176.600 -0.036 0.000 1.048 331 K CA 1.846 58.135 56.287 0.003 0.000 0.926 331 K CB -0.026 32.474 32.500 0.000 0.000 0.713 331 K HN 0.358 nan 8.250 nan 0.000 0.444 332 R N -0.866 119.561 120.500 -0.123 0.000 2.148 332 R HA -0.107 4.247 4.340 0.023 0.000 0.227 332 R C 1.459 177.626 176.300 -0.222 0.000 1.103 332 R CA 1.442 57.419 56.100 -0.205 0.000 0.983 332 R CB -0.512 29.604 30.300 -0.307 0.000 0.874 332 R HN 0.367 nan 8.270 nan 0.000 0.451 333 H N 1.117 120.191 119.070 0.006 0.000 2.548 333 H HA 0.194 4.764 4.556 0.023 0.000 0.268 333 H C 0.264 175.593 175.328 0.003 0.000 0.975 333 H CA 0.561 56.614 56.048 0.008 0.000 1.195 333 H CB 0.107 29.872 29.762 0.006 0.000 1.397 333 H HN 0.192 nan 8.280 nan 0.000 0.572 334 R N -0.205 120.341 120.500 0.077 0.000 3.516 334 R HA -0.137 4.216 4.340 0.023 0.000 0.271 334 R C 0.026 176.341 176.300 0.025 0.000 1.098 334 R CA 0.336 56.457 56.100 0.034 0.000 0.732 334 R CB -1.879 28.430 30.300 0.017 0.000 1.152 334 R HN 0.272 nan 8.270 nan 0.000 0.455 335 A N 0.955 123.808 122.820 0.055 0.000 2.316 335 A HA 0.592 4.925 4.320 0.023 0.000 0.284 335 A C 0.720 178.292 177.584 -0.019 0.000 1.115 335 A CA 0.032 52.078 52.037 0.015 0.000 0.812 335 A CB 0.812 19.830 19.000 0.029 0.000 1.064 335 A HN 0.382 nan 8.150 nan 0.000 0.489 336 S N 0.991 116.662 115.700 -0.049 0.000 2.654 336 S HA 0.723 5.206 4.470 0.023 0.000 0.283 336 S C -0.310 174.269 174.600 -0.035 0.000 1.180 336 S CA -0.594 57.573 58.200 -0.054 0.000 1.021 336 S CB 0.769 63.922 63.200 -0.079 0.000 1.018 336 S HN 0.503 nan 8.310 nan 0.000 0.532 337 I N 2.296 122.847 120.570 -0.031 0.000 2.331 337 I HA 0.300 4.484 4.170 0.023 0.000 0.292 337 I C -0.192 175.930 176.117 0.008 0.000 0.998 337 I CA -0.498 60.785 61.300 -0.028 0.000 1.267 337 I CB 1.089 39.041 38.000 -0.079 0.000 1.386 337 I HN 0.621 nan 8.210 nan 0.000 0.476 338 N N 6.456 125.171 118.700 0.024 0.000 2.469 338 N HA 0.343 5.097 4.740 0.023 0.000 0.253 338 N C -1.019 174.559 175.510 0.114 0.000 0.970 338 N CA -0.217 52.861 53.050 0.047 0.000 0.940 338 N CB 0.784 39.266 38.487 -0.008 0.000 1.128 338 N HN 0.309 nan 8.380 nan 0.000 0.503 339 F N 1.481 121.391 119.950 -0.066 0.000 2.544 339 F HA 0.692 5.232 4.527 0.022 0.000 0.378 339 F C 0.743 176.518 175.800 -0.042 0.000 1.112 339 F CA -0.468 57.481 58.000 -0.085 0.000 1.115 339 F CB 1.409 40.325 39.000 -0.140 0.000 1.436 339 F HN 0.307 nan 8.300 nan 0.000 0.496 340 T N -1.450 112.616 114.554 -0.815 0.000 2.654 340 T HA 0.381 4.744 4.350 0.023 0.000 0.289 340 T C -0.661 173.727 174.700 -0.520 0.000 1.062 340 T CA 0.243 62.023 62.100 -0.532 0.000 1.041 340 T CB 0.480 69.083 68.868 -0.441 0.000 1.417 340 T HN 0.832 nan 8.240 nan 0.000 0.510 341 C N 0.568 119.703 119.300 -0.274 0.000 4.392 341 C HA -0.156 4.317 4.460 0.023 0.000 0.280 341 C C 2.204 177.142 174.990 -0.086 0.000 1.381 341 C CA 0.355 59.262 59.018 -0.186 0.000 1.871 341 C CB -2.770 24.842 27.740 -0.213 0.000 1.323 341 C HN 1.012 nan 8.230 nan 0.000 0.772 342 A N 0.682 123.507 122.820 0.008 0.000 2.125 342 A HA -0.125 4.209 4.320 0.023 0.000 0.219 342 A C 2.137 179.733 177.584 0.021 0.000 1.156 342 A CA 2.024 54.115 52.037 0.091 0.000 0.671 342 A CB -0.202 18.960 19.000 0.269 0.000 0.794 342 A HN 0.883 nan 8.150 nan 0.000 0.459 343 E N -0.519 119.662 120.200 -0.031 0.000 2.472 343 E HA 0.102 4.465 4.350 0.023 0.000 0.196 343 E C 0.362 176.892 176.600 -0.116 0.000 1.033 343 E CA -0.038 56.304 56.400 -0.097 0.000 0.886 343 E CB -0.282 29.333 29.700 -0.142 0.000 0.944 343 E HN 0.608 nan 8.360 nan 0.000 0.492 344 M N 2.047 121.575 119.600 -0.120 0.000 2.233 344 M HA 0.332 4.825 4.480 0.023 0.000 0.355 344 M C 0.119 176.346 176.300 -0.123 0.000 1.191 344 M CA -0.431 54.779 55.300 -0.150 0.000 1.101 344 M CB 1.284 33.750 32.600 -0.222 0.000 1.592 344 M HN -0.296 nan 8.290 nan 0.000 0.461 345 R N 1.567 122.001 120.500 -0.111 0.000 2.540 345 R HA 0.217 4.571 4.340 0.023 0.000 0.287 345 R C 0.123 176.366 176.300 -0.095 0.000 0.980 345 R CA -0.564 55.483 56.100 -0.089 0.000 0.966 345 R CB 0.857 31.120 30.300 -0.060 0.000 1.106 345 R HN 0.638 nan 8.270 nan 0.000 0.480 346 D N 0.494 120.846 120.400 -0.080 0.000 2.149 346 D HA -0.153 4.500 4.640 0.023 0.000 0.198 346 D C 1.488 177.763 176.300 -0.042 0.000 0.990 346 D CA 1.911 55.874 54.000 -0.062 0.000 0.839 346 D CB 0.034 40.808 40.800 -0.043 0.000 0.948 346 D HN 0.553 nan 8.370 nan 0.000 0.460 347 S N 0.080 115.759 115.700 -0.035 0.000 2.474 347 S HA -0.108 4.376 4.470 0.023 0.000 0.235 347 S C 1.503 176.086 174.600 -0.030 0.000 0.997 347 S CA 0.591 58.777 58.200 -0.023 0.000 0.949 347 S CB -0.284 62.908 63.200 -0.012 0.000 0.766 347 S HN 0.296 nan 8.310 nan 0.000 0.517 348 E N 0.679 120.850 120.200 -0.048 0.000 2.489 348 E HA 0.091 4.454 4.350 0.023 0.000 0.193 348 E C 0.109 176.675 176.600 -0.056 0.000 1.057 348 E CA 0.141 56.507 56.400 -0.057 0.000 0.866 348 E CB 0.151 29.802 29.700 -0.081 0.000 0.916 348 E HN 0.550 nan 8.360 nan 0.000 0.500 349 Q N 0.568 120.344 119.800 -0.041 0.000 2.214 349 Q HA 0.221 4.575 4.340 0.023 0.000 0.251 349 Q C 0.023 176.031 176.000 0.014 0.000 0.936 349 Q CA -0.489 55.312 55.803 -0.004 0.000 0.894 349 Q CB 1.494 30.248 28.738 0.027 0.000 1.252 349 Q HN 0.045 nan 8.270 nan 0.000 0.448 350 S N -0.080 115.648 115.700 0.046 0.000 2.564 350 S HA 0.115 4.598 4.470 0.023 0.000 0.278 350 S C 0.830 175.425 174.600 -0.008 0.000 1.333 350 S CA -0.201 58.012 58.200 0.022 0.000 1.048 350 S CB 0.790 64.014 63.200 0.040 0.000 0.900 350 S HN 0.481 nan 8.310 nan 0.000 0.505 351 S N 2.287 117.977 115.700 -0.018 0.000 2.370 351 S HA -0.163 4.321 4.470 0.023 0.000 0.226 351 S C 2.276 176.838 174.600 -0.062 0.000 1.033 351 S CA 1.446 59.630 58.200 -0.027 0.000 1.011 351 S CB -0.432 62.762 63.200 -0.010 0.000 0.852 351 S HN 0.930 nan 8.310 nan 0.000 0.457 352 Q N 1.301 121.057 119.800 -0.073 0.000 2.291 352 Q HA 0.086 4.439 4.340 0.023 0.000 0.205 352 Q C 1.908 177.724 176.000 -0.307 0.000 0.970 352 Q CA 1.330 57.072 55.803 -0.101 0.000 0.876 352 Q CB -0.569 28.136 28.738 -0.056 0.000 0.935 352 Q HN 0.518 nan 8.270 nan 0.000 0.455 353 A N 1.004 123.608 122.820 -0.361 0.000 2.209 353 A HA 0.096 4.430 4.320 0.023 0.000 0.212 353 A C 0.980 178.116 177.584 -0.747 0.000 1.158 353 A CA 0.397 52.035 52.037 -0.665 0.000 0.742 353 A CB -0.258 18.531 19.000 -0.352 0.000 0.790 353 A HN 0.360 nan 8.150 nan 0.000 0.472 354 M N -0.039 119.313 119.600 -0.415 0.000 2.212 354 M HA -0.139 4.355 4.480 0.023 0.000 0.193 354 M C 0.247 176.484 176.300 -0.106 0.000 0.493 354 M CA 0.961 56.128 55.300 -0.223 0.000 0.427 354 M CB -2.546 29.945 32.600 -0.181 0.000 1.120 354 M HN 0.496 nan 8.290 nan 0.000 0.929 355 S N 0.149 115.841 115.700 -0.014 0.000 2.451 355 S HA 0.792 5.275 4.470 0.023 0.000 0.301 355 S C 0.239 174.900 174.600 0.102 0.000 1.116 355 S CA 0.181 58.465 58.200 0.141 0.000 1.093 355 S CB 1.479 64.859 63.200 0.300 0.000 1.017 355 S HN 0.592 nan 8.310 nan 0.000 0.482 356 A N 6.790 129.662 122.820 0.087 0.000 3.355 356 A HA 0.506 4.840 4.320 0.023 0.000 0.290 356 A C -1.796 175.659 177.584 -0.215 0.000 0.973 356 A CA -1.066 50.934 52.037 -0.061 0.000 0.933 356 A CB 0.522 19.517 19.000 -0.008 0.000 1.138 356 A HN 0.681 nan 8.150 nan 0.000 0.490 357 P HA -0.203 nan 4.420 nan 0.000 0.217 357 P C 1.027 178.211 177.300 -0.193 0.000 1.150 357 P CA 1.322 64.315 63.100 -0.179 0.000 0.832 357 P CB 0.387 31.917 31.700 -0.284 0.000 0.787 358 E N 0.222 120.314 120.200 -0.181 0.000 2.051 358 E HA -0.194 4.170 4.350 0.023 0.000 0.192 358 E C 2.029 178.477 176.600 -0.253 0.000 0.991 358 E CA 1.213 57.508 56.400 -0.175 0.000 0.799 358 E CB -0.326 29.294 29.700 -0.133 0.000 0.748 358 E HN 0.283 nan 8.360 nan 0.000 0.449 359 E N 0.741 120.777 120.200 -0.274 0.000 2.106 359 E HA -0.163 4.200 4.350 0.023 0.000 0.192 359 E C 1.883 178.237 176.600 -0.409 0.000 0.984 359 E CA 0.412 56.636 56.400 -0.293 0.000 0.806 359 E CB -0.139 29.468 29.700 -0.155 0.000 0.750 359 E HN 0.102 nan 8.360 nan 0.000 0.458 360 L N 0.057 120.897 121.223 -0.638 0.000 2.017 360 L HA -0.138 4.215 4.340 0.023 0.000 0.208 360 L C 2.045 178.742 176.870 -0.288 0.000 1.073 360 L CA 1.422 55.947 54.840 -0.525 0.000 0.745 360 L CB -0.536 41.257 42.059 -0.443 0.000 0.894 360 L HN 0.013 nan 8.230 nan 0.000 0.432 361 V N -0.159 119.674 119.914 -0.135 0.000 2.287 361 V HA -0.371 3.762 4.120 0.023 0.000 0.248 361 V C 2.633 178.563 176.094 -0.274 0.000 1.053 361 V CA 2.247 64.517 62.300 -0.049 0.000 1.027 361 V CB -0.718 31.124 31.823 0.033 0.000 0.646 361 V HN 0.591 nan 8.190 nan 0.000 0.447 362 Q N -0.712 118.826 119.800 -0.437 0.000 2.084 362 Q HA -0.293 4.060 4.340 0.023 0.000 0.202 362 Q C 2.373 178.165 176.000 -0.346 0.000 0.978 362 Q CA 1.988 57.400 55.803 -0.652 0.000 0.844 362 Q CB -0.215 27.992 28.738 -0.884 0.000 0.898 362 Q HN 0.707 nan 8.270 nan 0.000 0.426 363 Q N 0.260 119.893 119.800 -0.278 0.000 2.050 363 Q HA -0.168 4.186 4.340 0.023 0.000 0.202 363 Q C 2.072 177.896 176.000 -0.293 0.000 0.980 363 Q CA 1.571 57.259 55.803 -0.191 0.000 0.840 363 Q CB 0.124 28.839 28.738 -0.039 0.000 0.898 363 Q HN 0.240 nan 8.270 nan 0.000 0.424 364 V N 0.735 120.328 119.914 -0.535 0.000 2.307 364 V HA -0.249 3.885 4.120 0.023 0.000 0.245 364 V C 2.296 178.055 176.094 -0.559 0.000 1.045 364 V CA 1.184 63.050 62.300 -0.722 0.000 1.024 364 V CB -0.502 30.426 31.823 -1.492 0.000 0.651 364 V HN 0.312 nan 8.190 nan 0.000 0.449 365 L N 0.174 121.065 121.223 -0.552 0.000 2.042 365 L HA -0.148 4.205 4.340 0.023 0.000 0.210 365 L C 2.627 179.050 176.870 -0.745 0.000 1.076 365 L CA 2.032 56.378 54.840 -0.823 0.000 0.749 365 L CB -1.149 40.462 42.059 -0.746 0.000 0.893 365 L HN 0.267 nan 8.230 nan 0.000 0.432 366 S N -0.665 114.912 115.700 -0.205 0.000 2.368 366 S HA -0.161 4.322 4.470 0.023 0.000 0.225 366 S C 2.172 176.818 174.600 0.077 0.000 1.030 366 S CA 1.023 59.326 58.200 0.172 0.000 0.999 366 S CB -0.462 62.776 63.200 0.063 0.000 0.844 366 S HN 0.506 nan 8.310 nan 0.000 0.459 367 A N 1.684 124.453 122.820 -0.085 0.000 1.883 367 A HA 0.031 4.365 4.320 0.023 0.000 0.217 367 A C 2.355 179.919 177.584 -0.034 0.000 1.186 367 A CA 1.822 53.826 52.037 -0.055 0.000 0.624 367 A CB -1.522 17.430 19.000 -0.080 0.000 0.822 367 A HN 0.515 nan 8.150 nan 0.000 0.444 368 G N -1.405 107.306 108.800 -0.149 0.000 2.446 368 G HA2 -0.242 3.732 3.960 0.023 0.000 0.217 368 G HA3 -0.242 3.732 3.960 0.023 0.000 0.217 368 G C 1.375 176.318 174.900 0.070 0.000 1.168 368 G CA 0.992 46.020 45.100 -0.120 0.000 0.771 368 G HN 0.577 nan 8.290 nan 0.000 0.551 369 W N 0.978 122.341 121.300 0.107 0.000 2.363 369 W HA 0.087 4.761 4.660 0.024 0.000 0.296 369 W C 2.724 179.365 176.519 0.203 0.000 1.212 369 W CA 0.591 58.023 57.345 0.146 0.000 1.260 369 W CB -0.686 28.821 29.460 0.078 0.000 1.131 369 W HN 0.231 nan 8.180 nan 0.000 0.530 370 R N 0.108 120.871 120.500 0.438 0.000 2.148 370 R HA -0.107 4.246 4.340 0.023 0.000 0.227 370 R C 1.406 177.822 176.300 0.193 0.000 1.103 370 R CA 0.955 57.248 56.100 0.321 0.000 0.983 370 R CB -0.211 30.218 30.300 0.217 0.000 0.874 370 R HN 0.045 nan 8.270 nan 0.000 0.451 371 E N -0.419 119.870 120.200 0.149 0.000 2.476 371 E HA 0.057 4.420 4.350 0.023 0.000 0.191 371 E C 0.861 177.523 176.600 0.102 0.000 1.064 371 E CA 0.447 56.905 56.400 0.097 0.000 0.866 371 E CB 0.650 30.384 29.700 0.056 0.000 0.952 371 E HN 0.490 nan 8.360 nan 0.000 0.492 372 G N 1.494 110.385 108.800 0.151 0.000 2.160 372 G HA2 -0.288 3.685 3.960 0.023 0.000 0.251 372 G HA3 -0.288 3.685 3.960 0.023 0.000 0.251 372 G C 0.252 175.219 174.900 0.112 0.000 1.008 372 G CA 0.301 45.480 45.100 0.132 0.000 0.724 372 G HN 0.224 nan 8.290 nan 0.000 0.514 373 L N -0.150 121.152 121.223 0.132 0.000 2.399 373 L HA 0.414 4.768 4.340 0.023 0.000 0.266 373 L C 0.510 177.456 176.870 0.125 0.000 1.114 373 L CA -1.235 53.652 54.840 0.077 0.000 0.804 373 L CB 0.505 42.584 42.059 0.033 0.000 1.146 373 L HN -0.019 nan 8.230 nan 0.000 0.451 374 N N 0.921 119.615 118.700 -0.010 0.000 2.513 374 N HA 0.265 5.019 4.740 0.023 0.000 0.268 374 N C -0.774 174.776 175.510 0.066 0.000 1.180 374 N CA -0.086 52.946 53.050 -0.030 0.000 0.948 374 N CB 1.536 39.719 38.487 -0.506 0.000 1.083 374 N HN 0.195 nan 8.380 nan 0.000 0.455 375 V N 0.900 120.946 119.914 0.220 0.000 2.531 375 V HA 0.751 4.885 4.120 0.023 0.000 0.301 375 V C 0.027 176.265 176.094 0.240 0.000 1.034 375 V CA -0.879 61.489 62.300 0.113 0.000 0.865 375 V CB 1.383 33.109 31.823 -0.161 0.000 0.995 375 V HN 0.787 nan 8.190 nan 0.000 0.424 376 A N 3.304 126.233 122.820 0.182 0.000 2.346 376 A HA 0.938 5.272 4.320 0.023 0.000 0.313 376 A C -0.782 176.911 177.584 0.182 0.000 1.140 376 A CA -0.465 51.703 52.037 0.218 0.000 0.826 376 A CB 1.838 20.946 19.000 0.180 0.000 1.332 376 A HN 0.833 nan 8.150 nan 0.000 0.457 377 C N -0.508 118.918 119.300 0.209 0.000 3.090 377 C HA 0.685 5.159 4.460 0.023 0.000 0.305 377 C C -0.330 174.688 174.990 0.046 0.000 1.292 377 C CA -0.478 58.657 59.018 0.196 0.000 1.482 377 C CB 1.735 29.672 27.740 0.328 0.000 1.897 377 C HN 0.975 nan 8.230 nan 0.000 0.469 378 E N 1.465 121.638 120.200 -0.044 0.000 2.281 378 E HA 0.348 4.711 4.350 0.023 0.000 0.262 378 E C -0.921 175.700 176.600 0.036 0.000 0.933 378 E CA -0.632 55.643 56.400 -0.209 0.000 0.809 378 E CB 1.138 30.718 29.700 -0.200 0.000 1.242 378 E HN 0.759 nan 8.360 nan 0.000 0.418 379 N N 0.486 119.214 118.700 0.047 0.000 2.529 379 N HA 0.108 4.862 4.740 0.023 0.000 0.278 379 N C 0.092 175.536 175.510 -0.111 0.000 1.146 379 N CA -0.020 53.041 53.050 0.019 0.000 0.980 379 N CB 1.582 40.058 38.487 -0.018 0.000 1.124 379 N HN 0.509 nan 8.380 nan 0.000 0.458 380 A N 2.503 125.254 122.820 -0.116 0.000 1.898 380 A HA 0.144 4.478 4.320 0.023 0.000 0.214 380 A C 0.994 178.509 177.584 -0.115 0.000 1.183 380 A CA 0.645 52.618 52.037 -0.106 0.000 0.622 380 A CB -0.118 18.835 19.000 -0.079 0.000 0.824 380 A HN 0.666 nan 8.150 nan 0.000 0.444 381 L N -0.404 120.728 121.223 -0.152 0.000 2.333 381 L HA 0.398 4.752 4.340 0.023 0.000 0.263 381 L C -2.596 174.132 176.870 -0.236 0.000 1.014 381 L CA -2.602 52.140 54.840 -0.164 0.000 0.820 381 L CB 2.088 44.055 42.059 -0.153 0.000 1.352 381 L HN -0.035 nan 8.230 nan 0.000 0.421 382 P HA 0.164 nan 4.420 nan 0.000 0.267 382 P C -1.192 175.865 177.300 -0.406 0.000 1.209 382 P CA -0.111 62.783 63.100 -0.343 0.000 0.763 382 P CB 0.587 32.178 31.700 -0.182 0.000 0.816 383 R N 2.901 123.034 120.500 -0.611 0.000 2.584 383 R HA 0.276 4.629 4.340 0.023 0.000 0.276 383 R C -0.486 175.401 176.300 -0.689 0.000 1.046 383 R CA -0.518 55.268 56.100 -0.523 0.000 0.906 383 R CB 1.316 31.377 30.300 -0.399 0.000 1.215 383 R HN 0.451 nan 8.270 nan 0.000 0.449 384 Y N -0.495 119.758 120.300 -0.078 0.000 2.527 384 Y HA 0.102 4.666 4.550 0.023 0.000 0.247 384 Y C 0.528 176.436 175.900 0.013 0.000 1.138 384 Y CA -0.613 57.506 58.100 0.032 0.000 1.228 384 Y CB 0.841 39.364 38.460 0.105 0.000 1.252 384 Y HN 0.452 nan 8.280 nan 0.000 0.531 385 D N -0.032 120.339 120.400 -0.048 0.000 2.229 385 D HA 0.161 4.815 4.640 0.023 0.000 0.249 385 D C -2.281 174.015 176.300 -0.006 0.000 1.027 385 D CA -1.851 52.158 54.000 0.015 0.000 0.923 385 D CB 2.398 43.191 40.800 -0.011 0.000 1.174 385 D HN -0.076 nan 8.370 nan 0.000 0.443 386 P HA -0.132 nan 4.420 nan 0.000 0.216 386 P C 1.362 178.698 177.300 0.061 0.000 1.150 386 P CA 1.545 64.733 63.100 0.146 0.000 0.837 386 P CB 0.094 31.854 31.700 0.100 0.000 0.786 387 T N -0.595 113.962 114.554 0.004 0.000 2.708 387 T HA -0.166 4.198 4.350 0.023 0.000 0.266 387 T C 1.888 176.551 174.700 -0.062 0.000 1.037 387 T CA 1.695 63.790 62.100 -0.009 0.000 1.146 387 T CB -0.977 67.883 68.868 -0.013 0.000 0.865 387 T HN 0.057 nan 8.240 nan 0.000 0.435 388 A N 0.734 123.455 122.820 -0.165 0.000 1.883 388 A HA -0.129 4.205 4.320 0.023 0.000 0.217 388 A C 2.064 179.471 177.584 -0.295 0.000 1.186 388 A CA 1.624 53.496 52.037 -0.275 0.000 0.624 388 A CB -1.141 17.600 19.000 -0.432 0.000 0.822 388 A HN 0.540 nan 8.150 nan 0.000 0.444 389 Y N 0.691 120.862 120.300 -0.214 0.000 2.207 389 Y HA -0.181 4.383 4.550 0.023 0.000 0.287 389 Y C 2.436 178.282 175.900 -0.089 0.000 1.156 389 Y CA 1.350 59.248 58.100 -0.337 0.000 1.182 389 Y CB -0.588 37.673 38.460 -0.330 0.000 0.979 389 Y HN 0.323 nan 8.280 nan 0.000 0.521 390 N N -0.895 117.868 118.700 0.104 0.000 2.244 390 N HA -0.115 4.639 4.740 0.023 0.000 0.183 390 N C 1.756 177.305 175.510 0.066 0.000 1.016 390 N CA 1.662 54.770 53.050 0.097 0.000 0.866 390 N CB -0.601 37.942 38.487 0.093 0.000 0.980 390 N HN 0.314 nan 8.380 nan 0.000 0.430 391 T N 1.488 116.054 114.554 0.019 0.000 2.812 391 T HA 0.074 4.438 4.350 0.023 0.000 0.264 391 T C 2.111 176.816 174.700 0.008 0.000 1.042 391 T CA 0.490 62.594 62.100 0.005 0.000 1.140 391 T CB -0.072 68.775 68.868 -0.035 0.000 0.870 391 T HN 0.153 nan 8.240 nan 0.000 0.445 392 I N 0.802 121.351 120.570 -0.034 0.000 2.163 392 I HA -0.159 4.025 4.170 0.023 0.000 0.243 392 I C 2.265 178.396 176.117 0.023 0.000 1.085 392 I CA 1.229 62.491 61.300 -0.062 0.000 1.347 392 I CB -0.420 37.411 38.000 -0.281 0.000 1.044 392 I HN 0.177 nan 8.210 nan 0.000 0.408 393 L N 0.137 121.411 121.223 0.085 0.000 2.042 393 L HA -0.230 4.124 4.340 0.023 0.000 0.210 393 L C 2.815 179.706 176.870 0.035 0.000 1.076 393 L CA 1.155 56.032 54.840 0.061 0.000 0.749 393 L CB -0.595 41.508 42.059 0.072 0.000 0.893 393 L HN 0.251 nan 8.230 nan 0.000 0.432 394 R N 0.585 121.116 120.500 0.051 0.000 2.083 394 R HA -0.170 4.184 4.340 0.023 0.000 0.237 394 R C 1.850 178.181 176.300 0.052 0.000 1.137 394 R CA 1.812 57.941 56.100 0.048 0.000 0.951 394 R CB -0.653 29.689 30.300 0.071 0.000 0.851 394 R HN 0.426 nan 8.270 nan 0.000 0.434 395 N N 0.683 119.456 118.700 0.121 0.000 2.309 395 N HA -0.093 4.661 4.740 0.023 0.000 0.182 395 N C 1.534 177.137 175.510 0.155 0.000 1.018 395 N CA 1.224 54.401 53.050 0.211 0.000 0.876 395 N CB -0.198 38.432 38.487 0.239 0.000 0.972 395 N HN 0.309 nan 8.380 nan 0.000 0.434 396 A N 0.645 123.524 122.820 0.098 0.000 1.968 396 A HA 0.030 4.364 4.320 0.023 0.000 0.217 396 A C 1.052 178.661 177.584 0.042 0.000 1.169 396 A CA 0.930 53.030 52.037 0.105 0.000 0.638 396 A CB 0.125 19.154 19.000 0.048 0.000 0.812 396 A HN 0.141 nan 8.150 nan 0.000 0.446 397 R N -0.893 119.578 120.500 -0.049 0.000 2.629 397 R HA 0.224 4.578 4.340 0.023 0.000 0.275 397 R C -2.460 173.686 176.300 -0.257 0.000 1.719 397 R CA -1.515 54.505 56.100 -0.134 0.000 1.472 397 R CB 1.207 31.457 30.300 -0.082 0.000 1.237 397 R HN 0.153 nan 8.270 nan 0.000 0.589 398 P HA -0.138 nan 4.420 nan 0.000 0.220 398 P C 0.382 177.344 177.300 -0.563 0.000 1.148 398 P CA 1.218 63.817 63.100 -0.835 0.000 0.803 398 P CB 0.270 30.902 31.700 -1.780 0.000 0.782 399 H N -1.755 117.209 119.070 -0.177 0.000 2.542 399 H HA 0.392 4.961 4.556 0.023 0.000 0.283 399 H C 1.493 176.780 175.328 -0.068 0.000 1.059 399 H CA 0.473 56.465 56.048 -0.094 0.000 1.162 399 H CB -0.251 29.452 29.762 -0.098 0.000 1.539 399 H HN 0.081 nan 8.280 nan 0.000 0.543 400 G N 1.524 110.311 108.800 -0.020 0.000 2.598 400 G HA2 -0.277 3.697 3.960 0.023 0.000 0.244 400 G HA3 -0.277 3.697 3.960 0.023 0.000 0.244 400 G C -0.224 174.666 174.900 -0.018 0.000 1.302 400 G CA -0.353 44.739 45.100 -0.013 0.000 0.903 400 G HN 0.209 nan 8.290 nan 0.000 0.575 401 I N 1.681 122.243 120.570 -0.014 0.000 2.395 401 I HA 0.177 4.361 4.170 0.023 0.000 0.289 401 I C 0.468 176.573 176.117 -0.019 0.000 1.023 401 I CA -0.568 60.720 61.300 -0.020 0.000 1.350 401 I CB 1.175 39.164 38.000 -0.019 0.000 1.409 401 I HN 0.563 nan 8.210 nan 0.000 0.507 402 N N 6.087 124.771 118.700 -0.027 0.000 2.419 402 N HA 0.071 4.825 4.740 0.023 0.000 0.264 402 N C 0.747 176.241 175.510 -0.027 0.000 1.031 402 N CA -0.155 52.876 53.050 -0.032 0.000 0.951 402 N CB 1.146 39.606 38.487 -0.046 0.000 1.101 402 N HN 0.348 nan 8.380 nan 0.000 0.488 403 Q N 1.422 121.208 119.800 -0.024 0.000 2.291 403 Q HA -0.048 4.306 4.340 0.023 0.000 0.205 403 Q C 0.646 176.632 176.000 -0.023 0.000 0.970 403 Q CA 1.129 56.920 55.803 -0.021 0.000 0.876 403 Q CB 0.066 28.794 28.738 -0.018 0.000 0.935 403 Q HN 0.784 nan 8.270 nan 0.000 0.455 404 S N -2.443 113.241 115.700 -0.027 0.000 2.666 404 S HA 0.509 4.993 4.470 0.023 0.000 0.239 404 S C 0.585 175.166 174.600 -0.032 0.000 1.031 404 S CA 0.041 58.224 58.200 -0.028 0.000 1.015 404 S CB 1.252 64.436 63.200 -0.027 0.000 0.981 404 S HN 0.280 nan 8.310 nan 0.000 0.547 405 G N 1.609 110.388 108.800 -0.036 0.000 2.427 405 G HA2 0.538 4.512 3.960 0.023 0.000 0.306 405 G HA3 0.538 4.512 3.960 0.023 0.000 0.306 405 G C -3.548 171.325 174.900 -0.045 0.000 1.280 405 G CA -0.880 44.196 45.100 -0.040 0.000 0.837 405 G HN 0.047 nan 8.290 nan 0.000 0.482 406 P HA 0.303 nan 4.420 nan 0.000 0.271 406 P C -2.472 174.778 177.300 -0.084 0.000 1.218 406 P CA -0.861 62.204 63.100 -0.059 0.000 0.780 406 P CB 0.750 32.414 31.700 -0.060 0.000 0.901 407 P HA 0.101 nan 4.420 nan 0.000 0.274 407 P C 0.902 178.088 177.300 -0.190 0.000 1.256 407 P CA -0.126 62.909 63.100 -0.109 0.000 0.795 407 P CB 0.944 32.593 31.700 -0.085 0.000 1.038 408 E N -0.242 119.823 120.200 -0.225 0.000 2.106 408 E HA -0.161 4.202 4.350 0.023 0.000 0.192 408 E C -0.223 175.896 176.600 -0.800 0.000 0.984 408 E CA 1.023 57.144 56.400 -0.464 0.000 0.806 408 E CB 0.055 29.443 29.700 -0.520 0.000 0.750 408 E HN 0.568 nan 8.360 nan 0.000 0.458 409 H N -1.261 117.580 119.070 -0.382 0.000 2.930 409 H HA 0.377 4.947 4.556 0.023 0.000 0.371 409 H C -1.054 173.874 175.328 -0.668 0.000 1.169 409 H CA -1.009 54.507 56.048 -0.888 0.000 1.157 409 H CB 1.757 30.644 29.762 -1.458 0.000 1.789 409 H HN -0.080 nan 8.280 nan 0.000 0.547 410 K N 1.806 121.943 120.400 -0.440 0.000 2.568 410 K HA 0.373 4.706 4.320 0.023 0.000 0.273 410 K C -1.570 175.201 176.600 0.284 0.000 0.951 410 K CA -0.910 55.342 56.287 -0.058 0.000 0.854 410 K CB 1.755 34.245 32.500 -0.015 0.000 1.424 410 K HN 0.331 nan 8.250 nan 0.000 0.427 411 L N 2.183 123.636 121.223 0.383 0.000 2.456 411 L HA 0.121 4.474 4.340 0.023 0.000 0.272 411 L C 0.955 178.054 176.870 0.382 0.000 1.189 411 L CA -0.295 54.814 54.840 0.449 0.000 0.846 411 L CB 0.108 42.385 42.059 0.364 0.000 1.111 411 L HN 0.673 nan 8.230 nan 0.000 0.475 412 F N 1.464 121.571 119.950 0.262 0.000 2.456 412 F HA 0.187 4.728 4.527 0.022 0.000 0.298 412 F C 1.040 176.967 175.800 0.212 0.000 1.104 412 F CA 0.644 58.766 58.000 0.203 0.000 1.435 412 F CB 0.370 39.472 39.000 0.171 0.000 1.078 412 F HN 0.415 nan 8.300 nan 0.000 0.546 413 G N -1.269 107.697 108.800 0.277 0.000 2.547 413 G HA2 0.387 4.361 3.960 0.023 0.000 0.291 413 G HA3 0.387 4.361 3.960 0.023 0.000 0.291 413 G C -2.288 172.821 174.900 0.348 0.000 1.471 413 G CA -0.670 44.584 45.100 0.257 0.000 0.798 413 G HN -0.004 nan 8.290 nan 0.000 0.504 414 F N 0.914 121.005 119.950 0.235 0.000 2.547 414 F HA 0.762 5.302 4.527 0.022 0.000 0.316 414 F C -0.395 175.591 175.800 0.310 0.000 1.121 414 F CA -0.543 57.608 58.000 0.251 0.000 0.911 414 F CB 2.598 41.761 39.000 0.273 0.000 1.179 414 F HN 0.439 nan 8.300 nan 0.000 0.443 415 T N 5.940 120.067 114.554 -0.711 0.000 2.786 415 T HA 0.222 4.585 4.350 0.023 0.000 0.283 415 T C -1.511 172.776 174.700 -0.687 0.000 0.992 415 T CA -0.274 61.580 62.100 -0.410 0.000 0.954 415 T CB 0.540 69.306 68.868 -0.171 0.000 0.934 415 T HN 0.508 nan 8.240 nan 0.000 0.440 416 Y N 4.104 124.250 120.300 -0.258 0.000 2.365 416 Y HA 0.526 5.090 4.550 0.024 0.000 0.340 416 Y C -0.322 175.591 175.900 0.022 0.000 1.016 416 Y CA -0.962 57.160 58.100 0.038 0.000 1.196 416 Y CB 0.533 39.286 38.460 0.488 0.000 1.167 416 Y HN 0.583 nan 8.280 nan 0.000 0.509 417 L N 9.286 130.202 121.223 -0.511 0.000 2.255 417 L HA 0.554 4.908 4.340 0.023 0.000 0.289 417 L C -0.886 175.617 176.870 -0.612 0.000 1.046 417 L CA -0.304 54.309 54.840 -0.379 0.000 0.816 417 L CB -0.092 41.803 42.059 -0.275 0.000 1.197 417 L HN 0.912 nan 8.230 nan 0.000 0.427 418 R N 3.490 123.879 120.500 -0.185 0.000 2.752 418 R HA 0.464 4.817 4.340 0.023 0.000 0.271 418 R C -1.615 174.826 176.300 0.234 0.000 1.026 418 R CA -1.156 54.994 56.100 0.085 0.000 0.901 418 R CB 0.952 31.285 30.300 0.056 0.000 1.243 418 R HN 0.421 nan 8.270 nan 0.000 0.463 419 L N 1.951 123.289 121.223 0.192 0.000 2.499 419 L HA 0.333 4.686 4.340 0.023 0.000 0.273 419 L C -0.659 176.284 176.870 0.122 0.000 1.195 419 L CA 1.373 56.294 54.840 0.135 0.000 0.882 419 L CB 0.784 42.905 42.059 0.103 0.000 1.133 419 L HN 0.916 nan 8.230 nan 0.000 0.483 420 S N 2.512 118.274 115.700 0.104 0.000 2.643 420 S HA 0.458 4.942 4.470 0.023 0.000 0.270 420 S C 0.388 175.011 174.600 0.038 0.000 1.166 420 S CA -0.826 57.422 58.200 0.079 0.000 0.815 420 S CB 0.796 64.059 63.200 0.104 0.000 1.139 420 S HN 0.576 nan 8.310 nan 0.000 0.472 421 N N 0.805 119.514 118.700 0.015 0.000 2.289 421 N HA -0.142 4.612 4.740 0.023 0.000 0.184 421 N C 1.667 177.157 175.510 -0.033 0.000 1.016 421 N CA 1.558 54.598 53.050 -0.017 0.000 0.872 421 N CB -0.425 38.050 38.487 -0.020 0.000 0.973 421 N HN 0.817 nan 8.380 nan 0.000 0.433 422 Q N 0.615 120.397 119.800 -0.030 0.000 2.119 422 Q HA -0.104 4.250 4.340 0.023 0.000 0.201 422 Q C 2.041 177.974 176.000 -0.111 0.000 0.972 422 Q CA 0.831 56.575 55.803 -0.099 0.000 0.847 422 Q CB -0.074 28.584 28.738 -0.134 0.000 0.903 422 Q HN 0.206 nan 8.270 nan 0.000 0.433 423 L N 0.690 121.923 121.223 0.017 0.000 2.083 423 L HA -0.083 4.270 4.340 0.023 0.000 0.209 423 L C 1.768 178.679 176.870 0.068 0.000 1.083 423 L CA 1.535 56.433 54.840 0.096 0.000 0.752 423 L CB -0.081 42.045 42.059 0.112 0.000 0.899 423 L HN 0.312 nan 8.230 nan 0.000 0.433 424 V N -2.097 117.813 119.914 -0.006 0.000 3.249 424 V HA 0.304 4.437 4.120 0.023 0.000 0.338 424 V C 0.122 176.092 176.094 -0.206 0.000 1.363 424 V CA -0.116 62.123 62.300 -0.102 0.000 1.205 424 V CB -1.325 30.372 31.823 -0.210 0.000 1.164 424 V HN 0.571 nan 8.190 nan 0.000 0.458 425 E N -0.559 119.615 120.200 -0.043 0.000 2.359 425 E HA 0.762 5.126 4.350 0.023 0.000 0.266 425 E C 0.513 177.151 176.600 0.063 0.000 0.920 425 E CA -0.458 55.924 56.400 -0.030 0.000 0.788 425 E CB 1.773 31.441 29.700 -0.054 0.000 1.279 425 E HN 0.587 nan 8.360 nan 0.000 0.438 426 G N 1.403 110.241 108.800 0.063 0.000 2.574 426 G HA2 -0.438 3.536 3.960 0.023 0.000 0.282 426 G HA3 -0.438 3.536 3.960 0.023 0.000 0.282 426 G C 0.710 175.670 174.900 0.100 0.000 1.257 426 G CA 0.835 45.972 45.100 0.062 0.000 0.956 426 G HN 0.659 nan 8.290 nan 0.000 0.560 427 Q N -0.004 119.836 119.800 0.066 0.000 2.170 427 Q HA -0.043 4.311 4.340 0.023 0.000 0.203 427 Q C 2.536 178.604 176.000 0.113 0.000 0.976 427 Q CA 2.463 58.311 55.803 0.075 0.000 0.858 427 Q CB -0.467 28.303 28.738 0.053 0.000 0.907 427 Q HN 0.578 nan 8.270 nan 0.000 0.433 428 N N -0.766 117.997 118.700 0.104 0.000 2.069 428 N HA -0.195 4.559 4.740 0.023 0.000 0.191 428 N C 1.385 177.047 175.510 0.252 0.000 1.031 428 N CA 1.476 54.629 53.050 0.171 0.000 0.852 428 N CB -0.630 37.867 38.487 0.018 0.000 1.018 428 N HN 0.371 nan 8.380 nan 0.000 0.423 429 Y N 1.408 121.759 120.300 0.086 0.000 2.200 429 Y HA -0.029 4.535 4.550 0.022 0.000 0.290 429 Y C 2.260 178.232 175.900 0.120 0.000 1.137 429 Y CA 1.314 59.477 58.100 0.105 0.000 1.163 429 Y CB -0.649 37.842 38.460 0.052 0.000 0.988 429 Y HN 0.078 nan 8.280 nan 0.000 0.518 430 A N 0.590 123.425 122.820 0.026 0.000 1.908 430 A HA -0.251 4.083 4.320 0.023 0.000 0.218 430 A C 2.081 179.604 177.584 -0.102 0.000 1.181 430 A CA 2.065 54.055 52.037 -0.079 0.000 0.627 430 A CB -0.809 18.197 19.000 0.011 0.000 0.818 430 A HN 0.573 nan 8.150 nan 0.000 0.445 431 N N -1.084 117.620 118.700 0.007 0.000 2.142 431 N HA -0.116 4.638 4.740 0.023 0.000 0.186 431 N C 1.419 176.804 175.510 -0.209 0.000 1.023 431 N CA 1.476 54.535 53.050 0.015 0.000 0.852 431 N CB -0.641 37.989 38.487 0.240 0.000 0.998 431 N HN 0.533 nan 8.380 nan 0.000 0.424 432 F N 2.397 122.168 119.950 -0.298 0.000 2.134 432 F HA -0.114 4.426 4.527 0.022 0.000 0.299 432 F C 2.267 177.819 175.800 -0.413 0.000 1.097 432 F CA 1.396 59.114 58.000 -0.471 0.000 1.264 432 F CB -0.087 38.770 39.000 -0.238 0.000 1.001 432 F HN -0.115 nan 8.300 nan 0.000 0.479 433 K N 0.025 120.154 120.400 -0.450 0.000 2.063 433 K HA -0.155 4.179 4.320 0.023 0.000 0.208 433 K C 1.908 178.236 176.600 -0.454 0.000 1.048 433 K CA 2.092 58.075 56.287 -0.506 0.000 0.928 433 K CB -0.730 31.465 32.500 -0.508 0.000 0.713 433 K HN 0.300 nan 8.250 nan 0.000 0.442 434 T N 1.322 115.664 114.554 -0.352 0.000 2.746 434 T HA -0.147 4.217 4.350 0.023 0.000 0.267 434 T C 1.502 176.004 174.700 -0.330 0.000 1.039 434 T CA 1.361 63.294 62.100 -0.278 0.000 1.142 434 T CB -0.446 68.316 68.868 -0.176 0.000 0.866 434 T HN 0.314 nan 8.240 nan 0.000 0.444 435 F N 2.403 121.980 119.950 -0.622 0.000 2.091 435 F HA -0.184 4.357 4.527 0.023 0.000 0.299 435 F C 2.161 177.561 175.800 -0.667 0.000 1.103 435 F CA 0.928 58.513 58.000 -0.692 0.000 1.228 435 F CB -0.839 37.455 39.000 -1.177 0.000 0.984 435 F HN -0.055 nan 8.300 nan 0.000 0.477 436 V N 0.741 120.043 119.914 -1.019 0.000 2.343 436 V HA -0.308 3.826 4.120 0.023 0.000 0.247 436 V C 2.219 177.752 176.094 -0.935 0.000 1.051 436 V CA 2.181 63.799 62.300 -1.137 0.000 1.036 436 V CB -0.846 30.401 31.823 -0.959 0.000 0.654 436 V HN 0.296 nan 8.190 nan 0.000 0.451 437 D N -0.019 120.023 120.400 -0.597 0.000 2.104 437 D HA -0.152 4.502 4.640 0.023 0.000 0.194 437 D C 2.431 178.516 176.300 -0.359 0.000 0.994 437 D CA 1.146 54.916 54.000 -0.382 0.000 0.830 437 D CB -0.284 40.365 40.800 -0.252 0.000 0.959 437 D HN 0.279 nan 8.370 nan 0.000 0.452 438 R N 0.018 120.292 120.500 -0.377 0.000 2.092 438 R HA 0.020 4.373 4.340 0.023 0.000 0.231 438 R C 2.239 178.334 176.300 -0.341 0.000 1.119 438 R CA 0.470 56.400 56.100 -0.283 0.000 0.970 438 R CB -0.562 29.616 30.300 -0.204 0.000 0.864 438 R HN 0.309 nan 8.270 nan 0.000 0.440 439 M N 0.045 119.299 119.600 -0.577 0.000 2.149 439 M HA -0.133 4.361 4.480 0.023 0.000 0.261 439 M C 1.426 177.488 176.300 -0.396 0.000 1.064 439 M CA 1.560 56.533 55.300 -0.545 0.000 1.102 439 M CB -0.959 31.140 32.600 -0.836 0.000 1.369 439 M HN 0.304 nan 8.290 nan 0.000 0.408 440 H N -0.077 118.636 119.070 -0.595 0.000 2.547 440 H HA 0.280 4.850 4.556 0.023 0.000 0.274 440 H C 0.929 176.080 175.328 -0.294 0.000 1.024 440 H CA -0.000 55.623 56.048 -0.708 0.000 1.155 440 H CB 0.031 29.371 29.762 -0.702 0.000 1.344 440 H HN 0.505 nan 8.280 nan 0.000 0.598 441 A N 1.542 124.296 122.820 -0.111 0.000 2.832 441 A HA -0.322 4.012 4.320 0.023 0.000 0.280 441 A C 0.756 178.317 177.584 -0.038 0.000 1.464 441 A CA 0.717 52.721 52.037 -0.055 0.000 0.804 441 A CB -2.028 16.968 19.000 -0.007 0.000 1.020 441 A HN 0.816 nan 8.150 nan 0.000 0.563 442 N N -3.050 115.612 118.700 -0.064 0.000 2.741 442 N HA -0.184 4.569 4.740 0.023 0.000 0.251 442 N C -0.080 175.423 175.510 -0.011 0.000 1.112 442 N CA 1.777 54.796 53.050 -0.052 0.000 0.750 442 N CB -1.606 36.850 38.487 -0.051 0.000 1.119 442 N HN 0.850 nan 8.380 nan 0.000 0.561 443 L N 0.662 121.902 121.223 0.028 0.000 2.375 443 L HA 0.555 4.909 4.340 0.023 0.000 0.268 443 L C -1.426 175.494 176.870 0.084 0.000 1.058 443 L CA -1.635 53.243 54.840 0.063 0.000 0.803 443 L CB 0.655 42.785 42.059 0.120 0.000 1.212 443 L HN -0.133 nan 8.230 nan 0.000 0.451 444 P HA 0.050 nan 4.420 nan 0.000 0.273 444 P C -0.728 176.631 177.300 0.097 0.000 1.250 444 P CA -0.613 62.531 63.100 0.072 0.000 0.793 444 P CB 0.543 32.265 31.700 0.037 0.000 1.011 445 R N 1.605 122.158 120.500 0.088 0.000 2.585 445 R HA 0.004 4.357 4.340 0.023 0.000 0.275 445 R C -0.546 175.747 176.300 -0.012 0.000 1.018 445 R CA 0.499 56.630 56.100 0.051 0.000 1.072 445 R CB -0.518 29.828 30.300 0.078 0.000 0.953 445 R HN 0.442 nan 8.270 nan 0.000 0.419 446 D N 6.102 126.432 120.400 -0.116 0.000 2.460 446 D HA 0.265 4.919 4.640 0.023 0.000 0.232 446 D C -1.811 174.379 176.300 -0.183 0.000 1.079 446 D CA -2.324 51.544 54.000 -0.220 0.000 0.864 446 D CB 1.572 42.064 40.800 -0.514 0.000 1.048 446 D HN 0.273 nan 8.370 nan 0.000 0.523 447 P HA -0.072 nan 4.420 nan 0.000 0.230 447 P C 0.503 177.635 177.300 -0.280 0.000 1.158 447 P CA 0.709 63.683 63.100 -0.210 0.000 0.769 447 P CB 0.047 31.585 31.700 -0.269 0.000 0.807 448 Y N -1.399 118.831 120.300 -0.117 0.000 2.457 448 Y HA 0.151 4.715 4.550 0.023 0.000 0.263 448 Y C 1.375 177.197 175.900 -0.130 0.000 1.164 448 Y CA -0.404 57.637 58.100 -0.099 0.000 1.274 448 Y CB -0.106 38.301 38.460 -0.088 0.000 1.097 448 Y HN -0.255 nan 8.280 nan 0.000 0.523 449 V N 1.774 121.629 119.914 -0.099 0.000 2.843 449 V HA -0.036 4.098 4.120 0.023 0.000 0.305 449 V C 0.163 176.200 176.094 -0.094 0.000 1.065 449 V CA -0.094 62.091 62.300 -0.192 0.000 1.116 449 V CB 0.295 31.833 31.823 -0.475 0.000 0.968 449 V HN 0.539 nan 8.190 nan 0.000 0.487 450 D N 3.636 123.995 120.400 -0.068 0.000 2.697 450 D HA -0.116 4.537 4.640 0.023 0.000 0.238 450 D C -2.100 174.265 176.300 0.108 0.000 1.152 450 D CA 0.594 54.602 54.000 0.013 0.000 0.666 450 D CB -0.962 39.726 40.800 -0.186 0.000 1.037 450 D HN 0.632 nan 8.370 nan 0.000 0.423 451 P HA 0.046 nan 4.420 nan 0.000 0.268 451 P C 0.296 177.675 177.300 0.132 0.000 1.205 451 P CA -0.262 62.903 63.100 0.108 0.000 0.771 451 P CB 0.727 32.482 31.700 0.091 0.000 0.858 452 M N 1.887 121.561 119.600 0.124 0.000 2.209 452 M HA 0.384 4.877 4.480 0.023 0.000 0.355 452 M C 0.519 176.867 176.300 0.079 0.000 1.171 452 M CA -0.764 54.603 55.300 0.112 0.000 1.069 452 M CB 1.386 34.052 32.600 0.112 0.000 1.622 452 M HN 0.423 nan 8.290 nan 0.000 0.459 453 A N 5.975 128.833 122.820 0.062 0.000 2.366 453 A HA 0.586 4.919 4.320 0.023 0.000 0.249 453 A C -2.279 175.334 177.584 0.048 0.000 1.084 453 A CA -1.119 50.945 52.037 0.046 0.000 0.794 453 A CB -0.689 18.331 19.000 0.034 0.000 1.034 453 A HN 0.507 nan 8.150 nan 0.000 0.491 454 P HA 0.093 nan 4.420 nan 0.000 0.262 454 P C -0.404 176.924 177.300 0.047 0.000 1.182 454 P CA -0.064 63.055 63.100 0.031 0.000 0.761 454 P CB 0.179 31.877 31.700 -0.004 0.000 0.795 455 L N 7.342 128.613 121.223 0.080 0.000 2.562 455 L HA 0.205 4.559 4.340 0.023 0.000 0.271 455 L C -2.190 174.724 176.870 0.073 0.000 1.167 455 L CA -1.259 53.635 54.840 0.090 0.000 0.917 455 L CB -0.528 41.617 42.059 0.143 0.000 1.187 455 L HN 0.287 nan 8.230 nan 0.000 0.482 456 P HA 0.236 nan 4.420 nan 0.000 0.276 456 P C -1.160 176.176 177.300 0.058 0.000 1.252 456 P CA -0.757 62.370 63.100 0.045 0.000 0.802 456 P CB 0.526 32.244 31.700 0.030 0.000 1.035 457 R N 1.107 121.636 120.500 0.049 0.000 2.590 457 R HA 0.197 4.550 4.340 0.023 0.000 0.274 457 R C -0.209 176.120 176.300 0.048 0.000 1.061 457 R CA 0.446 56.580 56.100 0.057 0.000 1.081 457 R CB -0.575 29.750 30.300 0.042 0.000 0.984 457 R HN 0.413 nan 8.270 nan 0.000 0.448 458 S N 1.956 117.699 115.700 0.071 0.000 2.561 458 S HA 0.123 4.606 4.470 0.023 0.000 0.294 458 S C 0.580 175.160 174.600 -0.032 0.000 1.294 458 S CA 0.179 58.391 58.200 0.020 0.000 1.055 458 S CB 0.566 63.810 63.200 0.073 0.000 0.819 458 S HN 0.778 nan 8.310 nan 0.000 0.503 459 G N 2.619 111.372 108.800 -0.078 0.000 2.611 459 G HA2 0.395 4.368 3.960 0.023 0.000 0.273 459 G HA3 0.395 4.368 3.960 0.023 0.000 0.273 459 G C -2.710 172.145 174.900 -0.074 0.000 1.305 459 G CA -1.296 43.766 45.100 -0.063 0.000 1.010 459 G HN 0.451 nan 8.290 nan 0.000 0.509 460 P HA 0.065 nan 4.420 nan 0.000 0.264 460 P C 0.033 177.303 177.300 -0.050 0.000 1.183 460 P CA 0.063 63.142 63.100 -0.035 0.000 0.763 460 P CB 0.502 32.189 31.700 -0.020 0.000 0.807 461 E N 3.077 123.258 120.200 -0.031 0.000 2.465 461 E HA 0.075 4.439 4.350 0.023 0.000 0.260 461 E C -0.080 176.512 176.600 -0.014 0.000 0.980 461 E CA -0.236 56.151 56.400 -0.022 0.000 0.927 461 E CB 0.075 29.779 29.700 0.008 0.000 0.934 461 E HN 0.384 nan 8.360 nan 0.000 0.459 462 I N 1.124 121.685 120.570 -0.015 0.000 2.562 462 I HA 0.428 4.612 4.170 0.023 0.000 0.301 462 I C 0.168 176.293 176.117 0.012 0.000 1.003 462 I CA -0.995 60.303 61.300 -0.003 0.000 1.127 462 I CB 1.859 39.853 38.000 -0.010 0.000 1.304 462 I HN 0.430 nan 8.210 nan 0.000 0.446 463 S N 4.096 119.806 115.700 0.017 0.000 2.608 463 S HA 0.186 4.670 4.470 0.023 0.000 0.261 463 S C 0.905 175.522 174.600 0.027 0.000 1.314 463 S CA -0.495 57.721 58.200 0.026 0.000 0.992 463 S CB 1.334 64.551 63.200 0.029 0.000 0.935 463 S HN 0.760 nan 8.310 nan 0.000 0.564 464 I N 1.256 121.847 120.570 0.034 0.000 2.286 464 I HA -0.101 4.083 4.170 0.023 0.000 0.248 464 I C 2.145 178.282 176.117 0.033 0.000 1.115 464 I CA 1.615 62.935 61.300 0.033 0.000 1.392 464 I CB -0.786 37.237 38.000 0.038 0.000 1.065 464 I HN 0.810 nan 8.210 nan 0.000 0.418 465 E N -0.322 119.901 120.200 0.037 0.000 2.110 465 E HA -0.220 4.144 4.350 0.023 0.000 0.193 465 E C 2.194 178.809 176.600 0.025 0.000 0.988 465 E CA 1.662 58.084 56.400 0.036 0.000 0.804 465 E CB -0.347 29.377 29.700 0.041 0.000 0.745 465 E HN 0.476 nan 8.360 nan 0.000 0.458 466 M N -0.222 119.391 119.600 0.021 0.000 2.117 466 M HA -0.107 4.386 4.480 0.023 0.000 0.262 466 M C 2.126 178.432 176.300 0.010 0.000 1.065 466 M CA 1.276 56.584 55.300 0.014 0.000 1.114 466 M CB -0.258 32.349 32.600 0.011 0.000 1.361 466 M HN 0.088 nan 8.290 nan 0.000 0.408 467 I N 0.286 120.863 120.570 0.012 0.000 2.208 467 I HA -0.303 3.880 4.170 0.023 0.000 0.245 467 I C 2.098 178.216 176.117 0.001 0.000 1.097 467 I CA 1.296 62.601 61.300 0.008 0.000 1.363 467 I CB -0.353 37.654 38.000 0.013 0.000 1.051 467 I HN 0.288 nan 8.210 nan 0.000 0.413 468 L N 0.179 121.405 121.223 0.005 0.000 2.465 468 L HA -0.142 4.212 4.340 0.023 0.000 0.224 468 L C 2.443 179.306 176.870 -0.011 0.000 1.145 468 L CA 0.522 55.360 54.840 -0.004 0.000 0.834 468 L CB -0.572 41.493 42.059 0.009 0.000 0.944 468 L HN 0.370 nan 8.230 nan 0.000 0.451 469 Q N 0.242 120.040 119.800 -0.003 0.000 2.234 469 Q HA -0.196 4.157 4.340 0.023 0.000 0.206 469 Q C 2.312 178.303 176.000 -0.016 0.000 0.980 469 Q CA 1.603 57.402 55.803 -0.006 0.000 0.869 469 Q CB -0.171 28.568 28.738 0.001 0.000 0.912 469 Q HN 0.565 nan 8.270 nan 0.000 0.436 470 A N 0.662 123.471 122.820 -0.018 0.000 2.168 470 A HA 0.091 4.425 4.320 0.023 0.000 0.215 470 A C 2.187 179.743 177.584 -0.047 0.000 1.152 470 A CA 1.114 53.136 52.037 -0.025 0.000 0.716 470 A CB -0.259 18.730 19.000 -0.018 0.000 0.794 470 A HN 0.344 nan 8.150 nan 0.000 0.465 471 A N -0.871 121.913 122.820 -0.061 0.000 2.014 471 A HA 0.151 4.484 4.320 0.023 0.000 0.218 471 A C 1.072 178.596 177.584 -0.099 0.000 1.163 471 A CA 1.248 53.225 52.037 -0.099 0.000 0.652 471 A CB -0.078 18.848 19.000 -0.124 0.000 0.808 471 A HN 0.662 nan 8.150 nan 0.000 0.449 472 Q N -0.610 119.148 119.800 -0.070 0.000 2.435 472 Q HA 0.484 4.838 4.340 0.023 0.000 0.282 472 Q C -3.446 172.529 176.000 -0.040 0.000 1.020 472 Q CA -2.017 53.749 55.803 -0.062 0.000 0.820 472 Q CB 0.535 29.238 28.738 -0.059 0.000 1.436 472 Q HN 0.094 nan 8.270 nan 0.000 0.395 473 P HA 0.158 nan 4.420 nan 0.000 0.269 473 P C -0.621 176.639 177.300 -0.065 0.000 1.209 473 P CA -0.347 62.726 63.100 -0.045 0.000 0.776 473 P CB 0.557 32.238 31.700 -0.032 0.000 0.876 474 K N 2.798 123.146 120.400 -0.086 0.000 2.379 474 K HA 0.210 4.544 4.320 0.023 0.000 0.284 474 K C -0.612 175.924 176.600 -0.106 0.000 1.044 474 K CA 0.262 56.482 56.287 -0.113 0.000 0.974 474 K CB -0.415 31.989 32.500 -0.159 0.000 0.962 474 K HN 0.384 nan 8.250 nan 0.000 0.474 475 L N 4.133 125.292 121.223 -0.106 0.000 2.344 475 L HA 0.348 4.702 4.340 0.023 0.000 0.272 475 L C 0.458 177.252 176.870 -0.128 0.000 1.035 475 L CA -1.163 53.611 54.840 -0.111 0.000 0.807 475 L CB 1.667 43.654 42.059 -0.121 0.000 1.237 475 L HN 0.663 nan 8.230 nan 0.000 0.442 476 Q N 2.498 122.229 119.800 -0.115 0.000 2.421 476 Q HA 0.179 4.532 4.340 0.023 0.000 0.255 476 Q C -2.090 173.818 176.000 -0.153 0.000 1.013 476 Q CA -1.503 54.241 55.803 -0.098 0.000 0.895 476 Q CB 0.257 28.964 28.738 -0.051 0.000 1.271 476 Q HN 0.346 nan 8.270 nan 0.000 0.460 477 P HA -0.006 nan 4.420 nan 0.000 0.272 477 P C -0.838 176.445 177.300 -0.029 0.000 1.230 477 P CA -0.082 62.953 63.100 -0.109 0.000 0.788 477 P CB 0.439 32.102 31.700 -0.063 0.000 0.949 478 F N 1.226 121.327 119.950 0.251 0.000 2.553 478 F HA 0.126 4.667 4.527 0.023 0.000 0.356 478 F C -1.132 174.951 175.800 0.471 0.000 1.142 478 F CA -1.362 56.853 58.000 0.358 0.000 1.322 478 F CB -1.078 38.178 39.000 0.426 0.000 1.126 478 F HN 0.224 nan 8.300 nan 0.000 0.599 479 P HA 0.096 nan 4.420 nan 0.000 0.271 479 P C -0.999 176.678 177.300 0.628 0.000 1.220 479 P CA 0.134 63.533 63.100 0.498 0.000 0.768 479 P CB 0.343 32.237 31.700 0.324 0.000 0.848 480 F N 1.270 121.339 119.950 0.199 0.000 2.458 480 F HA 0.310 4.851 4.527 0.024 0.000 0.336 480 F C 1.250 177.106 175.800 0.094 0.000 1.114 480 F CA -0.648 57.427 58.000 0.125 0.000 0.987 480 F CB 1.431 40.476 39.000 0.075 0.000 1.130 480 F HN 0.260 nan 8.300 nan 0.000 0.458 481 Q N 0.840 120.747 119.800 0.178 0.000 2.386 481 Q HA -0.012 4.341 4.340 0.023 0.000 0.282 481 Q C 1.372 177.428 176.000 0.093 0.000 1.050 481 Q CA 0.346 56.224 55.803 0.125 0.000 0.918 481 Q CB 1.013 29.802 28.738 0.084 0.000 1.266 481 Q HN 0.735 nan 8.270 nan 0.000 0.423 482 E N 2.674 122.897 120.200 0.038 0.000 2.110 482 E HA -0.127 4.236 4.350 0.023 0.000 0.193 482 E C -0.078 176.299 176.600 -0.372 0.000 0.988 482 E CA 1.370 57.688 56.400 -0.138 0.000 0.804 482 E CB 0.219 29.855 29.700 -0.107 0.000 0.745 482 E HN 0.557 nan 8.360 nan 0.000 0.458 483 H N -1.424 117.683 119.070 0.061 0.000 2.851 483 H HA 0.336 4.906 4.556 0.023 0.000 0.372 483 H C -0.295 175.055 175.328 0.037 0.000 1.158 483 H CA -0.179 55.896 56.048 0.045 0.000 1.159 483 H CB 1.419 31.200 29.762 0.033 0.000 1.757 483 H HN 0.176 nan 8.280 nan 0.000 0.546 484 T N 0.890 115.534 114.554 0.151 0.000 2.937 484 T HA -0.078 4.286 4.350 0.023 0.000 0.316 484 T C 0.974 175.718 174.700 0.072 0.000 1.079 484 T CA -0.038 62.112 62.100 0.083 0.000 1.131 484 T CB 0.148 69.053 68.868 0.062 0.000 1.000 484 T HN 0.681 nan 8.240 nan 0.000 0.549 485 D N 3.098 123.522 120.400 0.040 0.000 2.340 485 D HA 0.039 4.693 4.640 0.023 0.000 0.220 485 D C 0.482 176.786 176.300 0.007 0.000 1.039 485 D CA 0.053 54.068 54.000 0.025 0.000 0.866 485 D CB -0.030 40.781 40.800 0.019 0.000 0.913 485 D HN 0.316 nan 8.370 nan 0.000 0.523 486 L N 1.266 122.491 121.223 0.003 0.000 2.625 486 L HA 0.348 4.702 4.340 0.023 0.000 0.255 486 L C -2.631 174.233 176.870 -0.011 0.000 1.493 486 L CA -1.756 53.075 54.840 -0.015 0.000 0.796 486 L CB 1.280 43.318 42.059 -0.035 0.000 1.064 486 L HN -0.236 nan 8.230 nan 0.000 0.516 487 P HA 0.090 nan 4.420 nan 0.000 0.272 487 P C 1.349 178.651 177.300 0.002 0.000 1.240 487 P CA -0.066 63.045 63.100 0.018 0.000 0.791 487 P CB 1.127 32.838 31.700 0.018 0.000 0.978 488 V N -1.413 118.514 119.914 0.021 0.000 2.343 488 V HA 0.087 4.220 4.120 0.023 0.000 0.247 488 V C 1.138 177.225 176.094 -0.011 0.000 1.051 488 V CA 1.585 63.885 62.300 0.001 0.000 1.036 488 V CB -2.147 29.695 31.823 0.032 0.000 0.654 488 V HN 1.022 nan 8.190 nan 0.000 0.451 489 G N 0.000 108.801 108.800 0.002 0.000 5.446 489 G HA2 0.000 3.974 3.960 0.023 0.000 0.244 489 G HA3 0.000 3.974 3.960 0.023 0.000 0.244 489 G CA 0.000 45.097 45.100 -0.004 0.000 0.502 489 G HN 0.000 nan 8.290 nan 0.000 0.925