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 3h4z_1_C DATA FIRST_RESID 2 DATA SEQUENCE IEEGKLVIWI NGDKGYNGLA EVGKKFEKDT GIKVTVEHPD KLEEKFPQVA DATA SEQUENCE ATGDGPDIIF WAHDRFGGYA QSGLLAEITP AAAFQDKLYP FTWDAVRYNG DATA SEQUENCE KLIAYPIAVE ALSLIYNKDL LPNPPKTWEE IPALDKELKA KGKSALMFNL DATA SEQUENCE QEPYFTWPLI AADGGYAFKY AAGKYDIKDV GVDNAGAKAG LTFLVDLIKN DATA SEQUENCE KHMNADTDYS IAEAAFNKGE TAMTINGPWA WSNIDTSAVN YGVTVLPTFK DATA SEQUENCE GQPSKPFVGV LSAGINAASP NKELAKEFLE NYLLTDEGLE AVNKDKPLGA DATA SEQUENCE VALKSYEEEL AKDPRIAATM ENAQKGEIMP NIPQMSAFWY AVRTAVINAA DATA SEQUENCE SGRQTVDAAL AAAQTNAAAX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXDPIH YDKITEEINK AVDEAVAAIE KSETFDPMKV DATA SEQUENCE PDHSDKFXXX XXXXXXKGEL DMRNIQVRGL KQMKRVGDAN VKSEDGVVKA DATA SEQUENCE HLLVGVHDDV VSMEYDLAYK XXXXXPNTHV ISDIQDFVVE LSLEVSEEGN DATA SEQUENCE MTLTSFEVRQ FANVVNHIGG LSILDPIFAV LSDVLTAIFQ DTVRAEMTKV DATA SEQUENCE LAPAFKKELE RNN 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.081 176.117 -0.059 0.000 1.063 2 I CA 0.000 61.264 61.300 -0.060 0.000 1.566 2 I CB 0.000 37.973 38.000 -0.046 0.000 1.214 3 E N 1.495 121.668 120.200 -0.046 0.000 3.726 3 E HA -0.070 4.282 4.350 0.003 0.000 0.165 3 E C -0.254 176.324 176.600 -0.038 0.000 1.525 3 E CA 1.189 57.564 56.400 -0.042 0.000 0.867 3 E CB -2.405 27.265 29.700 -0.051 0.000 1.077 3 E HN 2.074 nan 8.360 nan 0.000 0.378 4 E N -0.234 119.950 120.200 -0.028 0.000 2.283 4 E HA 0.556 4.907 4.350 0.003 0.000 0.278 4 E C 1.527 178.119 176.600 -0.015 0.000 1.027 4 E CA 0.677 57.065 56.400 -0.020 0.000 0.843 4 E CB 0.802 30.494 29.700 -0.015 0.000 1.062 4 E HN 1.864 nan 8.360 nan 0.000 0.401 5 G N 1.800 110.596 108.800 -0.007 0.000 2.176 5 G HA2 -0.237 3.725 3.960 0.003 0.000 0.232 5 G HA3 -0.237 3.725 3.960 0.003 0.000 0.232 5 G C 0.154 175.053 174.900 -0.001 0.000 0.986 5 G CA 0.417 45.517 45.100 -0.001 0.000 0.643 5 G HN 0.819 nan 8.290 nan 0.000 0.522 6 K N -0.589 119.801 120.400 -0.016 0.000 2.261 6 K HA 1.000 5.321 4.320 0.003 0.000 0.242 6 K C -0.766 175.795 176.600 -0.064 0.000 1.083 6 K CA -0.231 56.037 56.287 -0.031 0.000 0.880 6 K CB 1.148 33.624 32.500 -0.039 0.000 1.353 6 K HN 0.755 nan 8.250 nan 0.000 0.486 7 L N 1.348 122.507 121.223 -0.108 0.000 2.491 7 L HA 0.443 4.785 4.340 0.003 0.000 0.267 7 L C -1.221 175.543 176.870 -0.177 0.000 0.971 7 L CA -1.240 53.489 54.840 -0.185 0.000 0.857 7 L CB 2.101 43.958 42.059 -0.337 0.000 1.226 7 L HN 0.421 nan 8.230 nan 0.000 0.408 8 V N 4.690 124.504 119.914 -0.167 0.000 2.350 8 V HA 0.484 4.606 4.120 0.003 0.000 0.276 8 V C -0.201 175.770 176.094 -0.204 0.000 1.028 8 V CA -0.312 61.886 62.300 -0.171 0.000 0.860 8 V CB 1.697 33.394 31.823 -0.210 0.000 0.990 8 V HN 0.417 nan 8.190 nan 0.000 0.453 9 I N 4.523 125.029 120.570 -0.107 0.000 2.545 9 I HA 0.555 4.726 4.170 0.003 0.000 0.292 9 I C -0.956 175.287 176.117 0.210 0.000 1.040 9 I CA -0.375 60.927 61.300 0.004 0.000 1.068 9 I CB 2.099 40.135 38.000 0.060 0.000 1.251 9 I HN 0.459 nan 8.210 nan 0.000 0.424 10 W N 6.903 128.263 121.300 0.100 0.000 2.587 10 W HA 0.737 5.399 4.660 0.003 0.000 0.324 10 W C -0.351 176.255 176.519 0.144 0.000 1.040 10 W CA -1.007 56.381 57.345 0.072 0.000 1.222 10 W CB 1.554 31.044 29.460 0.049 0.000 1.381 10 W HN 0.266 nan 8.180 nan 0.000 0.483 11 I N 2.508 123.264 120.570 0.310 0.000 3.074 11 I HA 0.372 4.544 4.170 0.003 0.000 0.310 11 I C -0.650 175.606 176.117 0.231 0.000 1.153 11 I CA -0.931 60.526 61.300 0.262 0.000 0.993 11 I CB 2.187 40.221 38.000 0.057 0.000 1.237 11 I HN 0.264 nan 8.210 nan 0.000 0.443 12 N N 2.601 121.444 118.700 0.239 0.000 2.530 12 N HA 0.269 5.011 4.740 0.003 0.000 0.273 12 N C 1.009 176.587 175.510 0.113 0.000 1.173 12 N CA 0.865 54.022 53.050 0.179 0.000 0.967 12 N CB 1.688 40.276 38.487 0.169 0.000 1.109 12 N HN 0.734 nan 8.380 nan 0.000 0.453 13 G N 1.668 110.510 108.800 0.070 0.000 2.499 13 G HA2 -0.295 3.667 3.960 0.003 0.000 0.221 13 G HA3 -0.295 3.667 3.960 0.003 0.000 0.221 13 G C 0.844 175.764 174.900 0.034 0.000 1.109 13 G CA 1.202 46.338 45.100 0.059 0.000 0.749 13 G HN 0.845 nan 8.290 nan 0.000 0.568 14 D N -0.433 119.898 120.400 -0.115 0.000 2.349 14 D HA 0.035 4.677 4.640 0.003 0.000 0.215 14 D C 0.729 176.928 176.300 -0.169 0.000 1.016 14 D CA 0.301 54.188 54.000 -0.189 0.000 0.870 14 D CB 0.124 40.678 40.800 -0.411 0.000 0.917 14 D HN 0.030 nan 8.370 nan 0.000 0.524 15 K N 0.527 120.845 120.400 -0.137 0.000 2.118 15 K HA 0.485 4.807 4.320 0.003 0.000 0.254 15 K C 0.705 177.232 176.600 -0.122 0.000 0.961 15 K CA -0.779 55.454 56.287 -0.090 0.000 0.876 15 K CB 1.328 33.787 32.500 -0.069 0.000 1.077 15 K HN 0.024 nan 8.250 nan 0.000 0.440 16 G N 2.545 111.287 108.800 -0.096 0.000 2.726 16 G HA2 -0.002 3.960 3.960 0.003 0.000 0.283 16 G HA3 -0.002 3.960 3.960 0.003 0.000 0.283 16 G C 0.649 175.471 174.900 -0.130 0.000 0.689 16 G CA 0.062 45.064 45.100 -0.163 0.000 2.087 16 G HN 0.636 nan 8.290 nan 0.000 0.546 17 Y N -0.011 120.255 120.300 -0.057 0.000 2.475 17 Y HA 0.081 4.633 4.550 0.003 0.000 0.289 17 Y C 1.925 177.820 175.900 -0.008 0.000 1.121 17 Y CA 0.401 58.471 58.100 -0.049 0.000 1.257 17 Y CB -0.381 38.064 38.460 -0.026 0.000 1.026 17 Y HN 0.409 nan 8.280 nan 0.000 0.555 18 N N 0.510 119.202 118.700 -0.014 0.000 2.409 18 N HA 0.024 4.766 4.740 0.003 0.000 0.179 18 N C 2.064 177.598 175.510 0.039 0.000 1.032 18 N CA 0.755 53.851 53.050 0.077 0.000 0.898 18 N CB -0.242 38.231 38.487 -0.024 0.000 0.971 18 N HN 0.539 nan 8.380 nan 0.000 0.441 19 G N 0.762 109.557 108.800 -0.007 0.000 2.403 19 G HA2 -0.152 3.810 3.960 0.003 0.000 0.216 19 G HA3 -0.152 3.810 3.960 0.003 0.000 0.216 19 G C 1.266 176.195 174.900 0.049 0.000 1.154 19 G CA 0.169 45.281 45.100 0.020 0.000 0.784 19 G HN 0.182 nan 8.290 nan 0.000 0.538 20 L N 1.302 122.553 121.223 0.046 0.000 2.622 20 L HA 0.405 4.747 4.340 0.003 0.000 0.233 20 L C 2.628 179.569 176.870 0.119 0.000 1.156 20 L CA 0.985 55.864 54.840 0.064 0.000 0.866 20 L CB -0.322 41.721 42.059 -0.026 0.000 0.980 20 L HN 0.195 nan 8.230 nan 0.000 0.448 21 A N -0.711 122.174 122.820 0.108 0.000 1.854 21 A HA -0.108 4.214 4.320 0.003 0.000 0.214 21 A C 2.061 179.713 177.584 0.114 0.000 1.192 21 A CA 1.234 53.336 52.037 0.108 0.000 0.611 21 A CB -0.402 18.663 19.000 0.107 0.000 0.832 21 A HN 0.418 nan 8.150 nan 0.000 0.442 22 E N 0.043 120.308 120.200 0.107 0.000 2.021 22 E HA -0.169 4.183 4.350 0.003 0.000 0.200 22 E C 1.950 178.648 176.600 0.163 0.000 1.015 22 E CA 1.649 58.117 56.400 0.112 0.000 0.824 22 E CB -0.761 28.993 29.700 0.090 0.000 0.762 22 E HN 0.285 nan 8.360 nan 0.000 0.454 23 V N 0.557 120.582 119.914 0.185 0.000 2.453 23 V HA -0.243 3.879 4.120 0.003 0.000 0.252 23 V C 2.191 178.571 176.094 0.477 0.000 1.068 23 V CA 1.980 64.445 62.300 0.275 0.000 1.070 23 V CB -1.152 30.780 31.823 0.182 0.000 0.664 23 V HN 0.455 nan 8.190 nan 0.000 0.461 24 G N -0.608 108.408 108.800 0.360 0.000 2.448 24 G HA2 -0.165 3.797 3.960 0.003 0.000 0.218 24 G HA3 -0.165 3.797 3.960 0.003 0.000 0.218 24 G C 1.579 176.527 174.900 0.080 0.000 1.135 24 G CA 0.364 45.565 45.100 0.168 0.000 0.784 24 G HN 0.503 nan 8.290 nan 0.000 0.543 25 K N -0.394 120.082 120.400 0.127 0.000 2.367 25 K HA 0.146 4.468 4.320 0.003 0.000 0.194 25 K C 1.977 178.655 176.600 0.131 0.000 1.027 25 K CA 0.057 56.402 56.287 0.096 0.000 1.075 25 K CB 0.383 32.927 32.500 0.074 0.000 0.845 25 K HN 0.043 nan 8.250 nan 0.000 0.529 26 K N 0.838 121.364 120.400 0.211 0.000 2.228 26 K HA -0.034 4.287 4.320 0.003 0.000 0.202 26 K C 1.437 178.206 176.600 0.282 0.000 1.051 26 K CA 0.727 57.166 56.287 0.255 0.000 0.960 26 K CB -0.192 32.509 32.500 0.335 0.000 0.743 26 K HN 0.016 nan 8.250 nan 0.000 0.458 27 F N 1.252 121.195 119.950 -0.013 0.000 2.365 27 F HA -0.016 4.513 4.527 0.003 0.000 0.300 27 F C 1.908 177.615 175.800 -0.156 0.000 1.090 27 F CA 1.375 59.136 58.000 -0.399 0.000 1.408 27 F CB 0.122 38.802 39.000 -0.532 0.000 1.060 27 F HN 0.212 nan 8.300 nan 0.000 0.534 28 E N 0.273 120.469 120.200 -0.006 0.000 2.086 28 E HA -0.166 4.186 4.350 0.003 0.000 0.190 28 E C 1.773 178.342 176.600 -0.052 0.000 0.975 28 E CA 0.416 56.785 56.400 -0.052 0.000 0.813 28 E CB -0.165 29.541 29.700 0.011 0.000 0.768 28 E HN 0.280 nan 8.360 nan 0.000 0.457 29 K N 0.053 120.459 120.400 0.009 0.000 2.591 29 K HA -0.058 4.264 4.320 0.003 0.000 0.197 29 K C -0.121 176.490 176.600 0.017 0.000 1.026 29 K CA 0.604 56.902 56.287 0.019 0.000 1.127 29 K CB 0.299 32.829 32.500 0.049 0.000 0.871 29 K HN 0.090 nan 8.250 nan 0.000 0.507 30 D N -1.869 118.520 120.400 -0.018 0.000 2.559 30 D HA 0.018 4.660 4.640 0.003 0.000 0.296 30 D C 0.872 177.110 176.300 -0.103 0.000 1.118 30 D CA 0.662 54.658 54.000 -0.007 0.000 0.967 30 D CB 0.475 41.355 40.800 0.133 0.000 1.607 30 D HN -0.029 nan 8.370 nan 0.000 0.493 31 T N -0.701 113.691 114.554 -0.269 0.000 3.040 31 T HA 0.350 4.702 4.350 0.003 0.000 0.250 31 T C 1.242 175.805 174.700 -0.229 0.000 1.058 31 T CA 0.512 62.422 62.100 -0.317 0.000 0.988 31 T CB 0.886 69.368 68.868 -0.643 0.000 0.993 31 T HN 0.309 nan 8.240 nan 0.000 0.519 32 G N 2.172 110.864 108.800 -0.180 0.000 2.221 32 G HA2 -0.232 3.729 3.960 0.003 0.000 0.265 32 G HA3 -0.232 3.729 3.960 0.003 0.000 0.265 32 G C -0.042 174.802 174.900 -0.093 0.000 1.041 32 G CA -0.131 44.906 45.100 -0.104 0.000 0.807 32 G HN 0.577 nan 8.290 nan 0.000 0.502 33 I N 0.137 120.634 120.570 -0.122 0.000 2.433 33 I HA 0.620 4.792 4.170 0.003 0.000 0.292 33 I C 0.751 176.881 176.117 0.023 0.000 1.001 33 I CA -0.610 60.672 61.300 -0.030 0.000 1.119 33 I CB 1.668 39.688 38.000 0.035 0.000 1.289 33 I HN 0.221 nan 8.210 nan 0.000 0.438 34 K N 5.446 125.850 120.400 0.007 0.000 2.350 34 K HA 0.573 4.895 4.320 0.003 0.000 0.279 34 K C -0.701 175.878 176.600 -0.034 0.000 1.027 34 K CA -0.212 56.071 56.287 -0.008 0.000 0.969 34 K CB 0.742 33.232 32.500 -0.016 0.000 0.954 34 K HN 0.438 nan 8.250 nan 0.000 0.474 35 V N 2.690 122.563 119.914 -0.069 0.000 2.531 35 V HA 0.542 4.664 4.120 0.003 0.000 0.301 35 V C 0.332 176.353 176.094 -0.122 0.000 1.034 35 V CA -0.510 61.687 62.300 -0.171 0.000 0.865 35 V CB 1.683 33.302 31.823 -0.341 0.000 0.995 35 V HN 1.052 nan 8.190 nan 0.000 0.424 36 T N 1.454 115.942 114.554 -0.111 0.000 2.895 36 T HA 0.790 5.141 4.350 0.003 0.000 0.283 36 T C -0.682 174.002 174.700 -0.026 0.000 1.014 36 T CA -0.763 61.309 62.100 -0.048 0.000 1.037 36 T CB 1.857 70.713 68.868 -0.020 0.000 1.006 36 T HN 0.352 nan 8.240 nan 0.000 0.468 37 V N 2.620 122.546 119.914 0.019 0.000 2.385 37 V HA 0.380 4.502 4.120 0.003 0.000 0.277 37 V C -0.365 175.758 176.094 0.048 0.000 1.012 37 V CA -0.722 61.612 62.300 0.056 0.000 0.832 37 V CB 0.827 32.686 31.823 0.060 0.000 1.028 37 V HN 0.971 nan 8.190 nan 0.000 0.436 38 E N 2.687 122.962 120.200 0.125 0.000 2.191 38 E HA 0.561 4.913 4.350 0.003 0.000 0.274 38 E C -0.745 175.754 176.600 -0.170 0.000 0.948 38 E CA -0.762 55.595 56.400 -0.072 0.000 0.802 38 E CB 1.639 31.341 29.700 0.003 0.000 1.137 38 E HN 0.923 nan 8.360 nan 0.000 0.397 39 H N 0.438 119.296 119.070 -0.353 0.000 2.340 39 H HA 0.384 4.942 4.556 0.003 0.000 0.233 39 H C -2.729 172.387 175.328 -0.354 0.000 1.435 39 H CA -2.382 53.450 56.048 -0.361 0.000 1.389 39 H CB -0.208 29.232 29.762 -0.536 0.000 1.491 39 H HN 0.222 nan 8.280 nan 0.000 0.518 40 P HA 0.071 nan 4.420 nan 0.000 0.291 40 P C -0.215 176.945 177.300 -0.233 0.000 1.287 40 P CA -0.236 62.605 63.100 -0.433 0.000 0.767 40 P CB 0.721 32.004 31.700 -0.694 0.000 1.290 41 D N -1.272 119.000 120.400 -0.214 0.000 2.342 41 D HA 0.342 4.983 4.640 0.003 0.000 0.243 41 D C 0.038 176.246 176.300 -0.153 0.000 1.019 41 D CA -0.092 53.830 54.000 -0.131 0.000 0.864 41 D CB 1.193 41.938 40.800 -0.092 0.000 1.315 41 D HN 0.403 nan 8.370 nan 0.000 0.468 42 K N 0.909 121.231 120.400 -0.129 0.000 3.012 42 K HA -0.222 4.100 4.320 0.003 0.000 0.259 42 K C 1.201 177.670 176.600 -0.218 0.000 0.989 42 K CA 1.617 57.810 56.287 -0.157 0.000 0.728 42 K CB -2.772 29.674 32.500 -0.090 0.000 1.260 42 K HN 0.489 nan 8.250 nan 0.000 0.480 43 L N -1.161 119.901 121.223 -0.269 0.000 2.187 43 L HA -0.049 4.293 4.340 0.003 0.000 0.213 43 L C 2.295 179.028 176.870 -0.229 0.000 1.100 43 L CA 2.163 56.857 54.840 -0.243 0.000 0.765 43 L CB -0.413 41.516 42.059 -0.216 0.000 0.904 43 L HN 0.600 nan 8.230 nan 0.000 0.437 44 E N 0.884 120.763 120.200 -0.534 0.000 2.472 44 E HA -0.206 4.146 4.350 0.003 0.000 0.200 44 E C 1.333 177.834 176.600 -0.166 0.000 1.046 44 E CA 1.340 57.395 56.400 -0.574 0.000 0.871 44 E CB -0.299 28.640 29.700 -1.267 0.000 0.806 44 E HN 0.821 nan 8.360 nan 0.000 0.533 45 E N 0.299 120.428 120.200 -0.119 0.000 2.364 45 E HA 0.111 4.463 4.350 0.003 0.000 0.203 45 E C 1.784 178.413 176.600 0.048 0.000 0.888 45 E CA -0.087 56.304 56.400 -0.015 0.000 0.989 45 E CB 0.327 30.016 29.700 -0.019 0.000 0.985 45 E HN 0.151 nan 8.360 nan 0.000 0.499 46 K N 0.633 121.044 120.400 0.018 0.000 2.062 46 K HA -0.086 4.236 4.320 0.003 0.000 0.205 46 K C 1.932 178.617 176.600 0.140 0.000 1.051 46 K CA 0.944 57.258 56.287 0.045 0.000 0.941 46 K CB -0.165 32.303 32.500 -0.052 0.000 0.719 46 K HN 0.001 nan 8.250 nan 0.000 0.440 47 F N 3.646 123.630 119.950 0.056 0.000 2.025 47 F HA -0.172 4.357 4.527 0.003 0.000 0.297 47 F C -1.099 174.618 175.800 -0.137 0.000 1.132 47 F CA 1.410 59.414 58.000 0.008 0.000 1.191 47 F CB -1.069 37.798 39.000 -0.220 0.000 0.963 47 F HN -0.019 nan 8.300 nan 0.000 0.481 48 P HA -0.196 nan 4.420 nan 0.000 0.227 48 P C 0.640 177.914 177.300 -0.043 0.000 1.145 48 P CA 1.683 64.721 63.100 -0.103 0.000 0.769 48 P CB -0.140 31.674 31.700 0.189 0.000 0.769 49 Q N -0.479 119.300 119.800 -0.035 0.000 2.389 49 Q HA -0.007 4.335 4.340 0.003 0.000 0.201 49 Q C 2.372 178.304 176.000 -0.113 0.000 0.956 49 Q CA 0.838 56.626 55.803 -0.025 0.000 0.871 49 Q CB -0.487 28.255 28.738 0.006 0.000 0.990 49 Q HN 0.128 nan 8.270 nan 0.000 0.554 50 V N -0.781 119.069 119.914 -0.106 0.000 2.568 50 V HA -0.167 3.954 4.120 0.003 0.000 0.253 50 V C 1.981 177.939 176.094 -0.225 0.000 1.072 50 V CA 1.913 64.150 62.300 -0.106 0.000 1.084 50 V CB -1.115 30.722 31.823 0.022 0.000 0.676 50 V HN 0.291 nan 8.190 nan 0.000 0.469 51 A N 0.479 123.057 122.820 -0.403 0.000 1.935 51 A HA 0.442 4.764 4.320 0.003 0.000 0.214 51 A C 2.390 179.807 177.584 -0.279 0.000 1.178 51 A CA 1.223 52.977 52.037 -0.471 0.000 0.640 51 A CB -0.840 17.604 19.000 -0.925 0.000 0.825 51 A HN 0.949 nan 8.150 nan 0.000 0.447 52 A N 0.029 122.719 122.820 -0.217 0.000 2.234 52 A HA -0.035 4.287 4.320 0.003 0.000 0.216 52 A C 1.995 179.520 177.584 -0.098 0.000 1.167 52 A CA 2.114 54.080 52.037 -0.118 0.000 0.698 52 A CB -0.905 18.056 19.000 -0.064 0.000 0.779 52 A HN 0.736 nan 8.150 nan 0.000 0.475 53 T N -6.010 108.476 114.554 -0.114 0.000 3.010 53 T HA 0.450 4.802 4.350 0.003 0.000 0.257 53 T C 1.180 175.828 174.700 -0.088 0.000 1.020 53 T CA 0.970 63.016 62.100 -0.089 0.000 0.938 53 T CB 0.468 69.287 68.868 -0.082 0.000 1.049 53 T HN 1.609 nan 8.240 nan 0.000 0.522 54 G N 0.786 109.519 108.800 -0.112 0.000 2.134 54 G HA2 -0.138 3.824 3.960 0.003 0.000 0.209 54 G HA3 -0.138 3.824 3.960 0.003 0.000 0.209 54 G C -0.426 174.407 174.900 -0.113 0.000 0.993 54 G CA 0.068 45.106 45.100 -0.102 0.000 0.669 54 G HN 0.642 nan 8.290 nan 0.000 0.519 55 D N -0.604 119.711 120.400 -0.140 0.000 2.654 55 D HA 0.725 5.366 4.640 0.003 0.000 0.255 55 D C 0.791 176.964 176.300 -0.211 0.000 1.101 55 D CA 1.079 54.998 54.000 -0.135 0.000 1.116 55 D CB 1.672 42.420 40.800 -0.088 0.000 1.348 55 D HN 1.393 nan 8.370 nan 0.000 0.609 56 G N 0.243 108.921 108.800 -0.203 0.000 2.466 56 G HA2 -0.030 3.932 3.960 0.003 0.000 0.316 56 G HA3 -0.030 3.932 3.960 0.003 0.000 0.316 56 G C -2.816 171.771 174.900 -0.522 0.000 1.270 56 G CA -0.429 44.440 45.100 -0.385 0.000 0.982 56 G HN 0.467 nan 8.290 nan 0.000 0.506 57 P HA 0.438 nan 4.420 nan 0.000 0.280 57 P C -0.293 176.814 177.300 -0.321 0.000 1.272 57 P CA -0.207 62.454 63.100 -0.733 0.000 0.819 57 P CB 1.398 32.299 31.700 -1.331 0.000 1.122 58 D N -0.201 120.060 120.400 -0.231 0.000 2.120 58 D HA 0.102 4.744 4.640 0.003 0.000 0.202 58 D C 0.742 177.010 176.300 -0.052 0.000 0.972 58 D CA 1.379 55.307 54.000 -0.118 0.000 0.837 58 D CB 0.005 40.731 40.800 -0.124 0.000 0.989 58 D HN 0.348 nan 8.370 nan 0.000 0.469 59 I N 0.674 121.214 120.570 -0.050 0.000 2.474 59 I HA 0.303 4.475 4.170 0.003 0.000 0.294 59 I C -0.859 175.297 176.117 0.065 0.000 1.005 59 I CA -1.096 60.233 61.300 0.048 0.000 1.113 59 I CB 2.716 40.814 38.000 0.163 0.000 1.289 59 I HN -0.206 nan 8.210 nan 0.000 0.436 60 I N 5.958 126.540 120.570 0.020 0.000 2.418 60 I HA 0.472 4.644 4.170 0.003 0.000 0.287 60 I C -1.534 174.706 176.117 0.205 0.000 1.008 60 I CA -0.218 61.055 61.300 -0.045 0.000 1.104 60 I CB 0.997 38.473 38.000 -0.874 0.000 1.264 60 I HN 0.192 nan 8.210 nan 0.000 0.438 61 F N 7.843 127.919 119.950 0.210 0.000 2.410 61 F HA 0.627 5.156 4.527 0.003 0.000 0.349 61 F C -0.304 175.777 175.800 0.469 0.000 1.117 61 F CA 0.025 58.222 58.000 0.328 0.000 1.104 61 F CB 1.026 40.167 39.000 0.234 0.000 1.122 61 F HN 0.488 nan 8.300 nan 0.000 0.483 62 W N 1.847 123.377 121.300 0.384 0.000 3.002 62 W HA 0.521 5.183 4.660 0.003 0.000 0.346 62 W C -1.449 175.284 176.519 0.357 0.000 1.158 62 W CA -1.294 56.206 57.345 0.259 0.000 1.150 62 W CB 1.126 30.637 29.460 0.084 0.000 1.446 62 W HN 0.632 nan 8.180 nan 0.000 0.564 63 A N 2.777 125.355 122.820 -0.404 0.000 2.531 63 A HA 0.045 4.366 4.320 0.003 0.000 0.236 63 A C 1.456 179.206 177.584 0.278 0.000 1.062 63 A CA 1.064 53.009 52.037 -0.153 0.000 0.760 63 A CB -0.130 18.593 19.000 -0.462 0.000 0.995 63 A HN 0.808 nan 8.150 nan 0.000 0.501 64 H N 2.083 121.250 119.070 0.162 0.000 2.426 64 H HA -0.200 4.358 4.556 0.003 0.000 0.298 64 H C 1.153 176.649 175.328 0.279 0.000 1.107 64 H CA 1.623 57.780 56.048 0.182 0.000 1.298 64 H CB -0.657 29.098 29.762 -0.010 0.000 1.377 64 H HN 0.838 nan 8.280 nan 0.000 0.519 65 D N 1.542 121.632 120.400 -0.516 0.000 2.315 65 D HA -0.215 4.427 4.640 0.003 0.000 0.211 65 D C 1.697 177.960 176.300 -0.063 0.000 0.977 65 D CA 0.888 54.717 54.000 -0.286 0.000 0.894 65 D CB -0.468 40.174 40.800 -0.263 0.000 0.910 65 D HN 0.454 nan 8.370 nan 0.000 0.490 66 R N -1.532 118.990 120.500 0.036 0.000 2.334 66 R HA 0.177 4.518 4.340 0.003 0.000 0.212 66 R C 1.552 177.437 176.300 -0.692 0.000 0.897 66 R CA -0.220 55.719 56.100 -0.269 0.000 1.056 66 R CB 0.034 30.180 30.300 -0.257 0.000 1.046 66 R HN 0.114 nan 8.270 nan 0.000 0.513 67 F N 0.127 119.898 119.950 -0.297 0.000 2.259 67 F HA 0.057 4.585 4.527 0.003 0.000 0.298 67 F C 2.462 178.129 175.800 -0.221 0.000 1.088 67 F CA 1.202 59.102 58.000 -0.167 0.000 1.358 67 F CB -0.637 38.411 39.000 0.080 0.000 1.040 67 F HN 0.082 nan 8.300 nan 0.000 0.505 68 G N -0.106 108.613 108.800 -0.134 0.000 2.462 68 G HA2 -0.187 3.775 3.960 0.003 0.000 0.220 68 G HA3 -0.187 3.775 3.960 0.003 0.000 0.220 68 G C 2.025 176.614 174.900 -0.518 0.000 1.121 68 G CA 0.936 45.733 45.100 -0.506 0.000 0.758 68 G HN 0.508 nan 8.290 nan 0.000 0.559 69 G N -0.043 108.509 108.800 -0.414 0.000 2.394 69 G HA2 -0.115 3.847 3.960 0.003 0.000 0.215 69 G HA3 -0.115 3.847 3.960 0.003 0.000 0.215 69 G C 1.568 176.390 174.900 -0.130 0.000 1.165 69 G CA 0.875 45.785 45.100 -0.317 0.000 0.784 69 G HN 0.404 nan 8.290 nan 0.000 0.535 70 Y N 1.412 121.701 120.300 -0.018 0.000 2.242 70 Y HA 0.154 4.706 4.550 0.003 0.000 0.291 70 Y C 3.045 179.005 175.900 0.099 0.000 1.137 70 Y CA -0.033 58.106 58.100 0.065 0.000 1.181 70 Y CB -1.045 37.497 38.460 0.137 0.000 0.989 70 Y HN 0.262 nan 8.280 nan 0.000 0.527 71 A N 0.018 122.981 122.820 0.237 0.000 1.858 71 A HA -0.282 4.040 4.320 0.003 0.000 0.216 71 A C 2.206 179.942 177.584 0.254 0.000 1.190 71 A CA 2.009 54.204 52.037 0.264 0.000 0.617 71 A CB -0.869 18.329 19.000 0.331 0.000 0.827 71 A HN 0.374 nan 8.150 nan 0.000 0.443 72 Q N 0.291 120.233 119.800 0.236 0.000 2.181 72 Q HA -0.079 4.263 4.340 0.003 0.000 0.205 72 Q C 1.825 177.913 176.000 0.147 0.000 0.980 72 Q CA 1.924 57.875 55.803 0.247 0.000 0.862 72 Q CB -0.410 28.461 28.738 0.221 0.000 0.905 72 Q HN 0.542 nan 8.270 nan 0.000 0.429 73 S N -0.598 115.178 115.700 0.126 0.000 2.650 73 S HA 0.218 4.690 4.470 0.003 0.000 0.219 73 S C 0.698 175.354 174.600 0.095 0.000 0.960 73 S CA 0.440 58.699 58.200 0.099 0.000 0.925 73 S CB -0.201 63.059 63.200 0.100 0.000 0.775 73 S HN 0.649 nan 8.310 nan 0.000 0.525 74 G N 1.634 110.506 108.800 0.120 0.000 2.371 74 G HA2 -0.237 3.724 3.960 0.003 0.000 0.299 74 G HA3 -0.237 3.724 3.960 0.003 0.000 0.299 74 G C 0.308 175.258 174.900 0.084 0.000 1.014 74 G CA 0.334 45.496 45.100 0.103 0.000 1.097 74 G HN 0.554 nan 8.290 nan 0.000 0.512 75 L N -1.625 119.670 121.223 0.119 0.000 2.781 75 L HA 0.427 4.769 4.340 0.003 0.000 0.245 75 L C 1.188 178.142 176.870 0.141 0.000 1.118 75 L CA -0.048 54.833 54.840 0.068 0.000 0.918 75 L CB 0.235 42.302 42.059 0.013 0.000 1.246 75 L HN 0.237 nan 8.230 nan 0.000 0.526 76 L N 0.381 121.733 121.223 0.216 0.000 2.331 76 L HA 0.674 5.016 4.340 0.003 0.000 0.275 76 L C 0.181 177.163 176.870 0.187 0.000 1.022 76 L CA -0.588 54.402 54.840 0.250 0.000 0.812 76 L CB 1.941 44.207 42.059 0.346 0.000 1.257 76 L HN -0.068 nan 8.230 nan 0.000 0.435 77 A N 1.871 124.793 122.820 0.170 0.000 2.327 77 A HA 0.260 4.581 4.320 0.003 0.000 0.283 77 A C -0.122 177.550 177.584 0.148 0.000 1.127 77 A CA -0.374 51.744 52.037 0.135 0.000 0.810 77 A CB 0.463 19.532 19.000 0.115 0.000 1.066 77 A HN 0.762 nan 8.150 nan 0.000 0.492 78 E N 2.325 122.597 120.200 0.119 0.000 2.265 78 E HA 0.288 4.640 4.350 0.003 0.000 0.272 78 E C -0.107 176.554 176.600 0.102 0.000 1.067 78 E CA -0.271 56.192 56.400 0.106 0.000 0.900 78 E CB 0.180 29.926 29.700 0.077 0.000 1.017 78 E HN 0.593 nan 8.360 nan 0.000 0.431 79 I N 2.102 122.735 120.570 0.106 0.000 2.519 79 I HA 0.299 4.471 4.170 0.003 0.000 0.287 79 I C -0.103 176.027 176.117 0.021 0.000 1.047 79 I CA -0.434 60.931 61.300 0.109 0.000 1.381 79 I CB 1.421 39.471 38.000 0.083 0.000 1.417 79 I HN 0.341 nan 8.210 nan 0.000 0.540 80 T N 3.070 117.649 114.554 0.042 0.000 3.226 80 T HA 0.502 4.854 4.350 0.003 0.000 0.378 80 T C -2.158 172.540 174.700 -0.004 0.000 1.380 80 T CA -1.118 60.977 62.100 -0.008 0.000 1.396 80 T CB 0.319 69.193 68.868 0.009 0.000 1.044 80 T HN 0.663 nan 8.240 nan 0.000 0.586 81 P HA 0.565 nan 4.420 nan 0.000 0.288 81 P C -0.049 177.235 177.300 -0.026 0.000 1.267 81 P CA -0.429 62.676 63.100 0.008 0.000 0.815 81 P CB 1.132 32.871 31.700 0.065 0.000 0.989 82 A N 2.831 125.671 122.820 0.033 0.000 2.511 82 A HA 0.342 4.664 4.320 0.003 0.000 0.242 82 A C 1.730 179.316 177.584 0.003 0.000 1.069 82 A CA 0.312 52.358 52.037 0.016 0.000 0.763 82 A CB -0.256 18.769 19.000 0.042 0.000 1.001 82 A HN 0.666 nan 8.150 nan 0.000 0.498 83 A N 2.649 125.438 122.820 -0.051 0.000 1.997 83 A HA -0.029 4.293 4.320 0.003 0.000 0.221 83 A C 2.396 179.956 177.584 -0.040 0.000 1.172 83 A CA 2.749 54.734 52.037 -0.087 0.000 0.645 83 A CB -1.033 17.924 19.000 -0.073 0.000 0.813 83 A HN 1.817 nan 8.150 nan 0.000 0.454 84 A N -1.315 121.516 122.820 0.018 0.000 1.883 84 A HA -0.088 4.233 4.320 0.003 0.000 0.217 84 A C 2.054 179.696 177.584 0.096 0.000 1.186 84 A CA 1.763 53.830 52.037 0.049 0.000 0.624 84 A CB -0.711 18.329 19.000 0.068 0.000 0.822 84 A HN 0.730 nan 8.150 nan 0.000 0.444 85 F N 0.642 120.589 119.950 -0.005 0.000 2.146 85 F HA -0.132 4.397 4.527 0.003 0.000 0.298 85 F C 2.450 178.306 175.800 0.093 0.000 1.096 85 F CA 1.929 59.961 58.000 0.053 0.000 1.275 85 F CB -0.452 38.600 39.000 0.088 0.000 1.008 85 F HN 0.313 nan 8.300 nan 0.000 0.480 86 Q N -0.111 119.645 119.800 -0.074 0.000 2.297 86 Q HA -0.213 4.129 4.340 0.003 0.000 0.208 86 Q C 1.549 177.525 176.000 -0.039 0.000 0.981 86 Q CA 1.509 57.149 55.803 -0.273 0.000 0.876 86 Q CB -0.280 28.046 28.738 -0.686 0.000 0.921 86 Q HN 0.501 nan 8.270 nan 0.000 0.446 87 D N 0.267 120.622 120.400 -0.074 0.000 2.194 87 D HA -0.096 4.546 4.640 0.003 0.000 0.204 87 D C 1.625 177.867 176.300 -0.097 0.000 0.964 87 D CA 0.629 54.599 54.000 -0.050 0.000 0.846 87 D CB 0.088 40.864 40.800 -0.040 0.000 0.962 87 D HN 0.066 nan 8.370 nan 0.000 0.490 88 K N 0.249 120.547 120.400 -0.170 0.000 2.160 88 K HA -0.088 4.234 4.320 0.003 0.000 0.206 88 K C 0.801 177.214 176.600 -0.313 0.000 1.047 88 K CA 0.513 56.653 56.287 -0.246 0.000 0.930 88 K CB -0.242 32.036 32.500 -0.369 0.000 0.720 88 K HN 0.159 nan 8.250 nan 0.000 0.450 89 L N -0.181 120.888 121.223 -0.257 0.000 2.334 89 L HA 0.261 4.603 4.340 0.003 0.000 0.270 89 L C -0.060 176.666 176.870 -0.240 0.000 1.018 89 L CA -0.931 53.701 54.840 -0.346 0.000 0.811 89 L CB 0.212 41.982 42.059 -0.482 0.000 1.271 89 L HN -0.057 nan 8.230 nan 0.000 0.443 90 Y N 1.698 121.885 120.300 -0.188 0.000 2.497 90 Y HA 0.101 4.653 4.550 0.003 0.000 0.334 90 Y C -1.346 174.488 175.900 -0.111 0.000 1.199 90 Y CA -1.290 56.743 58.100 -0.112 0.000 1.425 90 Y CB -0.152 38.234 38.460 -0.125 0.000 1.291 90 Y HN 0.528 nan 8.280 nan 0.000 0.562 91 P HA -0.238 nan 4.420 nan 0.000 0.215 91 P C 1.529 178.933 177.300 0.173 0.000 1.157 91 P CA 1.765 65.022 63.100 0.261 0.000 0.868 91 P CB -0.140 31.696 31.700 0.226 0.000 0.788 92 F N 0.151 120.168 119.950 0.113 0.000 2.307 92 F HA -0.172 4.357 4.527 0.003 0.000 0.301 92 F C 1.809 177.597 175.800 -0.020 0.000 1.076 92 F CA 1.723 59.744 58.000 0.036 0.000 1.383 92 F CB -2.200 36.796 39.000 -0.007 0.000 1.055 92 F HN -0.070 nan 8.300 nan 0.000 0.526 93 T N -3.105 110.876 114.554 -0.955 0.000 2.812 93 T HA -0.177 4.174 4.350 0.003 0.000 0.264 93 T C 1.631 176.028 174.700 -0.504 0.000 1.042 93 T CA 1.115 62.693 62.100 -0.869 0.000 1.140 93 T CB -1.246 67.033 68.868 -0.982 0.000 0.870 93 T HN 0.558 nan 8.240 nan 0.000 0.445 94 W N 2.238 123.388 121.300 -0.250 0.000 2.388 94 W HA 0.040 4.702 4.660 0.003 0.000 0.294 94 W C 2.200 178.655 176.519 -0.106 0.000 1.212 94 W CA 0.478 57.722 57.345 -0.167 0.000 1.271 94 W CB -0.206 29.172 29.460 -0.136 0.000 1.126 94 W HN 0.234 nan 8.180 nan 0.000 0.535 95 D N 0.197 120.681 120.400 0.139 0.000 2.182 95 D HA -0.193 4.448 4.640 0.003 0.000 0.201 95 D C 2.169 178.509 176.300 0.068 0.000 0.986 95 D CA 1.774 55.842 54.000 0.113 0.000 0.847 95 D CB -0.767 40.103 40.800 0.117 0.000 0.942 95 D HN 0.182 nan 8.370 nan 0.000 0.467 96 A N 0.848 123.645 122.820 -0.039 0.000 1.933 96 A HA -0.120 4.201 4.320 0.003 0.000 0.218 96 A C 2.096 179.662 177.584 -0.029 0.000 1.175 96 A CA 1.531 53.482 52.037 -0.143 0.000 0.628 96 A CB -0.390 18.346 19.000 -0.441 0.000 0.814 96 A HN 0.245 nan 8.150 nan 0.000 0.444 97 V N -2.795 117.101 119.914 -0.030 0.000 3.110 97 V HA 0.427 4.549 4.120 0.003 0.000 0.368 97 V C 0.306 176.463 176.094 0.105 0.000 1.332 97 V CA -0.264 62.036 62.300 -0.000 0.000 1.287 97 V CB -0.978 30.784 31.823 -0.102 0.000 1.277 97 V HN 0.403 nan 8.190 nan 0.000 0.502 98 R N 0.732 121.321 120.500 0.148 0.000 2.393 98 R HA 0.504 4.846 4.340 0.003 0.000 0.315 98 R C -2.015 174.436 176.300 0.252 0.000 0.952 98 R CA -0.748 55.454 56.100 0.170 0.000 0.842 98 R CB 1.710 32.088 30.300 0.131 0.000 1.163 98 R HN 0.444 nan 8.270 nan 0.000 0.450 99 Y N 5.291 125.646 120.300 0.091 0.000 2.338 99 Y HA 0.273 4.825 4.550 0.003 0.000 0.333 99 Y C -0.700 175.244 175.900 0.072 0.000 0.968 99 Y CA -1.193 56.962 58.100 0.092 0.000 1.123 99 Y CB 1.188 39.712 38.460 0.107 0.000 1.165 99 Y HN 0.831 nan 8.280 nan 0.000 0.452 100 N N 4.175 122.648 118.700 -0.378 0.000 2.756 100 N HA -0.170 4.571 4.740 0.003 0.000 0.248 100 N C 0.712 176.148 175.510 -0.122 0.000 1.062 100 N CA 1.308 54.161 53.050 -0.329 0.000 0.696 100 N CB -1.207 37.014 38.487 -0.444 0.000 0.946 100 N HN 1.376 nan 8.380 nan 0.000 0.548 101 G N -0.432 108.336 108.800 -0.053 0.000 2.283 101 G HA2 -0.339 3.623 3.960 0.003 0.000 0.280 101 G HA3 -0.339 3.623 3.960 0.003 0.000 0.280 101 G C -0.155 174.741 174.900 -0.006 0.000 1.029 101 G CA 1.186 46.275 45.100 -0.019 0.000 0.840 101 G HN 0.610 nan 8.290 nan 0.000 0.505 102 K N -0.655 119.758 120.400 0.021 0.000 2.535 102 K HA 0.463 4.785 4.320 0.003 0.000 0.251 102 K C 0.185 176.830 176.600 0.075 0.000 0.942 102 K CA -1.024 55.284 56.287 0.035 0.000 0.798 102 K CB 1.864 34.387 32.500 0.039 0.000 1.267 102 K HN 0.103 nan 8.250 nan 0.000 0.434 103 L N 4.726 125.979 121.223 0.050 0.000 2.410 103 L HA 0.245 4.587 4.340 0.003 0.000 0.273 103 L C 1.166 178.093 176.870 0.095 0.000 1.152 103 L CA 0.082 54.966 54.840 0.073 0.000 0.855 103 L CB 0.100 42.172 42.059 0.021 0.000 1.129 103 L HN 0.740 nan 8.230 nan 0.000 0.463 104 I N 0.085 120.727 120.570 0.121 0.000 4.050 104 I HA 0.677 4.849 4.170 0.003 0.000 0.327 104 I C 0.196 176.395 176.117 0.136 0.000 1.473 104 I CA -0.242 61.156 61.300 0.163 0.000 1.124 104 I CB 0.559 38.703 38.000 0.241 0.000 1.129 104 I HN 0.569 nan 8.210 nan 0.000 0.428 105 A N 0.242 123.088 122.820 0.044 0.000 2.489 105 A HA 0.606 4.928 4.320 0.003 0.000 0.293 105 A C -2.215 175.342 177.584 -0.045 0.000 1.004 105 A CA -0.485 51.547 52.037 -0.008 0.000 0.626 105 A CB 0.377 19.142 19.000 -0.392 0.000 1.345 105 A HN 0.159 nan 8.150 nan 0.000 0.447 106 Y N 1.299 121.502 120.300 -0.162 0.000 2.353 106 Y HA 0.480 5.031 4.550 0.003 0.000 0.340 106 Y C -2.004 173.685 175.900 -0.352 0.000 0.972 106 Y CA -2.302 55.700 58.100 -0.164 0.000 1.157 106 Y CB 1.097 39.532 38.460 -0.041 0.000 1.157 106 Y HN 0.412 nan 8.280 nan 0.000 0.495 107 P HA 0.078 nan 4.420 nan 0.000 0.271 107 P C 0.089 177.215 177.300 -0.289 0.000 1.216 107 P CA 0.187 63.027 63.100 -0.434 0.000 0.771 107 P CB 1.735 33.028 31.700 -0.680 0.000 0.864 108 I N 1.202 121.675 120.570 -0.163 0.000 3.366 108 I HA 0.317 4.489 4.170 0.003 0.000 0.267 108 I C 1.076 177.190 176.117 -0.005 0.000 1.149 108 I CA 0.327 61.604 61.300 -0.039 0.000 1.436 108 I CB -0.532 37.516 38.000 0.080 0.000 1.379 108 I HN 0.376 nan 8.210 nan 0.000 0.460 109 A N 0.376 123.201 122.820 0.008 0.000 2.608 109 A HA 0.632 4.954 4.320 0.003 0.000 0.292 109 A C -1.265 176.363 177.584 0.073 0.000 1.066 109 A CA -0.373 51.698 52.037 0.057 0.000 0.676 109 A CB 1.356 20.418 19.000 0.104 0.000 1.277 109 A HN -0.172 nan 8.150 nan 0.000 0.413 110 V N 1.596 121.581 119.914 0.119 0.000 2.465 110 V HA 0.411 4.532 4.120 0.003 0.000 0.279 110 V C -0.057 176.129 176.094 0.153 0.000 1.045 110 V CA -0.124 62.273 62.300 0.161 0.000 0.938 110 V CB 1.146 33.108 31.823 0.232 0.000 0.986 110 V HN 0.859 nan 8.190 nan 0.000 0.467 111 E N 3.202 123.512 120.200 0.184 0.000 2.199 111 E HA 0.786 5.137 4.350 0.003 0.000 0.269 111 E C -0.681 176.048 176.600 0.215 0.000 0.899 111 E CA -0.741 55.785 56.400 0.210 0.000 0.772 111 E CB 2.291 32.197 29.700 0.343 0.000 1.155 111 E HN 0.772 nan 8.360 nan 0.000 0.408 112 A N 3.713 126.610 122.820 0.128 0.000 2.442 112 A HA 0.369 4.690 4.320 0.003 0.000 0.284 112 A C -0.620 176.967 177.584 0.005 0.000 1.058 112 A CA -0.682 51.417 52.037 0.103 0.000 0.738 112 A CB 0.563 19.612 19.000 0.081 0.000 1.242 112 A HN 0.605 nan 8.150 nan 0.000 0.421 113 L N 1.762 122.966 121.223 -0.032 0.000 2.506 113 L HA 0.266 4.608 4.340 0.003 0.000 0.281 113 L C 0.682 177.510 176.870 -0.069 0.000 1.228 113 L CA 0.582 55.350 54.840 -0.119 0.000 0.850 113 L CB 0.786 42.710 42.059 -0.224 0.000 1.110 113 L HN 0.793 nan 8.230 nan 0.000 0.496 114 S N 1.524 117.190 115.700 -0.058 0.000 2.720 114 S HA 0.521 4.993 4.470 0.003 0.000 0.287 114 S C -1.241 173.343 174.600 -0.027 0.000 1.168 114 S CA -0.705 57.487 58.200 -0.013 0.000 0.832 114 S CB 1.762 65.001 63.200 0.065 0.000 1.166 114 S HN 0.369 nan 8.310 nan 0.000 0.493 115 L N 2.237 123.447 121.223 -0.022 0.000 2.261 115 L HA 0.564 4.905 4.340 0.003 0.000 0.289 115 L C -1.341 175.585 176.870 0.094 0.000 1.059 115 L CA 0.062 54.880 54.840 -0.038 0.000 0.816 115 L CB -0.344 41.649 42.059 -0.110 0.000 1.191 115 L HN 0.517 nan 8.230 nan 0.000 0.431 116 I N 6.987 127.589 120.570 0.054 0.000 2.328 116 I HA 0.296 4.467 4.170 0.003 0.000 0.287 116 I C -0.674 175.496 176.117 0.089 0.000 1.012 116 I CA -0.714 60.651 61.300 0.108 0.000 1.195 116 I CB 0.456 38.473 38.000 0.029 0.000 1.350 116 I HN 0.581 nan 8.210 nan 0.000 0.464 117 Y N 4.508 124.898 120.300 0.150 0.000 2.659 117 Y HA 0.515 5.066 4.550 0.002 0.000 0.333 117 Y C -0.368 175.855 175.900 0.538 0.000 1.064 117 Y CA -1.834 56.451 58.100 0.308 0.000 1.141 117 Y CB 0.625 39.158 38.460 0.121 0.000 1.316 117 Y HN 0.387 nan 8.280 nan 0.000 0.509 118 N N 1.125 120.084 118.700 0.432 0.000 2.645 118 N HA 0.104 4.846 4.740 0.003 0.000 0.233 118 N C 0.803 176.343 175.510 0.051 0.000 1.058 118 N CA 0.537 53.632 53.050 0.076 0.000 0.942 118 N CB 1.234 39.698 38.487 -0.038 0.000 1.210 118 N HN 0.991 nan 8.380 nan 0.000 0.512 119 K N 2.312 122.626 120.400 -0.144 0.000 2.304 119 K HA -0.202 4.119 4.320 0.003 0.000 0.204 119 K C 1.137 177.759 176.600 0.036 0.000 1.044 119 K CA 1.804 58.069 56.287 -0.037 0.000 0.932 119 K CB -0.341 32.068 32.500 -0.152 0.000 0.735 119 K HN 0.595 nan 8.250 nan 0.000 0.468 120 D N 0.067 120.467 120.400 0.001 0.000 2.154 120 D HA 0.036 4.678 4.640 0.003 0.000 0.211 120 D C 2.176 178.492 176.300 0.027 0.000 0.977 120 D CA 1.105 55.107 54.000 0.002 0.000 0.869 120 D CB -0.166 40.618 40.800 -0.026 0.000 1.022 120 D HN 0.367 nan 8.370 nan 0.000 0.461 121 L N 0.746 121.986 121.223 0.028 0.000 1.971 121 L HA -0.152 4.189 4.340 0.003 0.000 0.215 121 L C 1.502 178.413 176.870 0.068 0.000 1.072 121 L CA 0.951 55.817 54.840 0.043 0.000 0.758 121 L CB -0.648 41.439 42.059 0.048 0.000 0.889 121 L HN 0.072 nan 8.230 nan 0.000 0.433 122 L N -0.377 120.917 121.223 0.119 0.000 2.324 122 L HA 0.395 4.737 4.340 0.003 0.000 0.274 122 L C -1.386 175.589 176.870 0.174 0.000 1.012 122 L CA -1.487 53.427 54.840 0.122 0.000 0.859 122 L CB -0.067 42.068 42.059 0.128 0.000 1.224 122 L HN -0.194 nan 8.230 nan 0.000 0.429 123 P HA -0.128 nan 4.420 nan 0.000 0.215 123 P C -0.040 177.340 177.300 0.133 0.000 1.157 123 P CA 1.183 64.350 63.100 0.113 0.000 0.868 123 P CB 0.481 32.211 31.700 0.050 0.000 0.788 124 N N 0.154 118.865 118.700 0.019 0.000 2.354 124 N HA 0.307 5.049 4.740 0.003 0.000 0.287 124 N C -2.469 172.904 175.510 -0.228 0.000 1.016 124 N CA -1.499 51.491 53.050 -0.099 0.000 0.871 124 N CB 1.963 40.405 38.487 -0.074 0.000 1.299 124 N HN 0.143 nan 8.380 nan 0.000 0.482 125 P HA 0.349 nan 4.420 nan 0.000 0.281 125 P C -2.538 174.583 177.300 -0.299 0.000 1.249 125 P CA -0.917 61.887 63.100 -0.493 0.000 0.810 125 P CB 0.372 31.538 31.700 -0.890 0.000 1.008 126 P HA 0.152 nan 4.420 nan 0.000 0.272 126 P C 0.126 177.307 177.300 -0.197 0.000 1.240 126 P CA -0.104 62.888 63.100 -0.179 0.000 0.791 126 P CB 0.916 32.524 31.700 -0.154 0.000 0.978 127 K N -0.331 119.983 120.400 -0.145 0.000 2.374 127 K HA 0.181 4.503 4.320 0.003 0.000 0.202 127 K C 0.631 177.171 176.600 -0.100 0.000 1.040 127 K CA 0.333 56.543 56.287 -0.128 0.000 1.085 127 K CB 0.283 32.728 32.500 -0.092 0.000 0.873 127 K HN 0.707 nan 8.250 nan 0.000 0.539 128 T N -4.526 109.966 114.554 -0.102 0.000 2.868 128 T HA 0.326 4.677 4.350 0.003 0.000 0.306 128 T C 0.010 174.697 174.700 -0.020 0.000 1.224 128 T CA -0.848 61.241 62.100 -0.019 0.000 1.012 128 T CB 0.683 69.554 68.868 0.006 0.000 1.221 128 T HN 0.052 nan 8.240 nan 0.000 0.499 129 W N 0.541 121.840 121.300 -0.001 0.000 2.518 129 W HA 0.194 4.856 4.660 0.003 0.000 0.273 129 W C 1.998 178.604 176.519 0.145 0.000 1.247 129 W CA 0.472 57.873 57.345 0.093 0.000 1.288 129 W CB -0.404 29.123 29.460 0.111 0.000 1.107 129 W HN 0.815 nan 8.180 nan 0.000 0.586 130 E N 0.690 120.999 120.200 0.183 0.000 2.118 130 E HA -0.216 4.135 4.350 0.003 0.000 0.195 130 E C 1.594 178.300 176.600 0.176 0.000 0.992 130 E CA 1.734 58.233 56.400 0.164 0.000 0.804 130 E CB -0.492 29.217 29.700 0.014 0.000 0.741 130 E HN 0.394 nan 8.360 nan 0.000 0.458 131 E N 0.255 120.511 120.200 0.094 0.000 2.347 131 E HA -0.078 4.274 4.350 0.003 0.000 0.196 131 E C 1.887 178.507 176.600 0.032 0.000 1.008 131 E CA 0.376 56.801 56.400 0.041 0.000 0.852 131 E CB -0.141 29.555 29.700 -0.006 0.000 0.783 131 E HN 0.340 nan 8.360 nan 0.000 0.505 132 I N 1.409 122.021 120.570 0.071 0.000 2.208 132 I HA -0.216 3.956 4.170 0.003 0.000 0.245 132 I C -0.682 175.381 176.117 -0.091 0.000 1.097 132 I CA 1.195 62.508 61.300 0.023 0.000 1.363 132 I CB -1.415 36.652 38.000 0.111 0.000 1.051 132 I HN 0.075 nan 8.210 nan 0.000 0.413 133 P HA -0.141 nan 4.420 nan 0.000 0.213 133 P C 1.599 178.807 177.300 -0.153 0.000 1.170 133 P CA 1.842 64.645 63.100 -0.496 0.000 0.893 133 P CB -0.022 31.440 31.700 -0.396 0.000 0.784 134 A N -0.755 122.045 122.820 -0.034 0.000 1.972 134 A HA -0.175 4.147 4.320 0.003 0.000 0.219 134 A C 2.110 179.702 177.584 0.013 0.000 1.169 134 A CA 1.415 53.462 52.037 0.017 0.000 0.635 134 A CB -1.656 17.358 19.000 0.023 0.000 0.810 134 A HN 0.162 nan 8.150 nan 0.000 0.446 135 L N 0.266 121.485 121.223 -0.006 0.000 2.109 135 L HA -0.095 4.246 4.340 0.003 0.000 0.207 135 L C 1.860 178.740 176.870 0.016 0.000 1.086 135 L CA 2.687 57.528 54.840 0.002 0.000 0.760 135 L CB -0.706 41.348 42.059 -0.009 0.000 0.910 135 L HN 0.473 nan 8.230 nan 0.000 0.437 136 D N -0.388 120.016 120.400 0.007 0.000 2.104 136 D HA -0.248 4.394 4.640 0.003 0.000 0.194 136 D C 2.040 178.389 176.300 0.082 0.000 0.994 136 D CA 1.753 55.788 54.000 0.058 0.000 0.830 136 D CB -0.006 40.860 40.800 0.111 0.000 0.959 136 D HN 0.376 nan 8.370 nan 0.000 0.452 137 K N 0.143 120.596 120.400 0.088 0.000 2.152 137 K HA -0.145 4.177 4.320 0.003 0.000 0.206 137 K C 2.139 178.768 176.600 0.050 0.000 1.048 137 K CA 1.064 57.396 56.287 0.076 0.000 0.933 137 K CB -0.049 32.497 32.500 0.077 0.000 0.721 137 K HN 0.228 nan 8.250 nan 0.000 0.447 138 E N 1.118 121.343 120.200 0.040 0.000 2.021 138 E HA -0.200 4.151 4.350 0.003 0.000 0.200 138 E C 2.150 178.769 176.600 0.032 0.000 1.015 138 E CA 1.411 57.829 56.400 0.031 0.000 0.824 138 E CB -0.352 29.363 29.700 0.025 0.000 0.762 138 E HN 0.306 nan 8.360 nan 0.000 0.454 139 L N 0.513 121.759 121.223 0.037 0.000 2.179 139 L HA -0.080 4.262 4.340 0.003 0.000 0.208 139 L C 2.406 179.299 176.870 0.038 0.000 1.096 139 L CA 0.610 55.472 54.840 0.037 0.000 0.779 139 L CB -0.241 41.846 42.059 0.046 0.000 0.922 139 L HN 0.014 nan 8.230 nan 0.000 0.443 140 K N 1.022 121.450 120.400 0.045 0.000 2.286 140 K HA -0.118 4.204 4.320 0.003 0.000 0.203 140 K C 1.398 178.016 176.600 0.031 0.000 1.045 140 K CA 1.253 57.566 56.287 0.043 0.000 0.935 140 K CB -0.156 32.378 32.500 0.058 0.000 0.737 140 K HN 0.269 nan 8.250 nan 0.000 0.460 141 A N -0.339 122.498 122.820 0.029 0.000 2.545 141 A HA 0.209 4.531 4.320 0.003 0.000 0.277 141 A C 0.283 177.878 177.584 0.018 0.000 1.301 141 A CA -0.235 51.815 52.037 0.022 0.000 0.935 141 A CB 0.085 19.098 19.000 0.021 0.000 1.093 141 A HN 0.210 nan 8.150 nan 0.000 0.519 142 K N -1.425 118.987 120.400 0.020 0.000 2.562 142 K HA 0.308 4.630 4.320 0.003 0.000 0.201 142 K C 0.889 177.498 176.600 0.015 0.000 1.131 142 K CA 0.347 56.644 56.287 0.016 0.000 1.059 142 K CB 0.889 33.400 32.500 0.018 0.000 0.913 142 K HN 0.599 nan 8.250 nan 0.000 0.563 143 G N 1.785 110.594 108.800 0.016 0.000 2.199 143 G HA2 -0.258 3.704 3.960 0.003 0.000 0.254 143 G HA3 -0.258 3.704 3.960 0.003 0.000 0.254 143 G C 0.233 175.145 174.900 0.019 0.000 0.982 143 G CA 0.492 45.601 45.100 0.015 0.000 0.632 143 G HN 0.097 nan 8.290 nan 0.000 0.529 144 K N 0.232 120.648 120.400 0.026 0.000 2.502 144 K HA 0.856 5.177 4.320 0.003 0.000 0.256 144 K C 0.374 177.002 176.600 0.046 0.000 1.053 144 K CA 0.128 56.436 56.287 0.036 0.000 1.002 144 K CB 1.168 33.691 32.500 0.038 0.000 1.384 144 K HN 0.888 nan 8.250 nan 0.000 0.537 145 S N -1.750 113.987 115.700 0.061 0.000 2.536 145 S HA 0.672 5.143 4.470 0.003 0.000 0.271 145 S C 0.098 174.748 174.600 0.084 0.000 1.134 145 S CA -0.495 57.747 58.200 0.069 0.000 0.897 145 S CB 1.717 64.956 63.200 0.064 0.000 1.094 145 S HN 0.634 nan 8.310 nan 0.000 0.473 146 A N 2.289 125.156 122.820 0.078 0.000 3.344 146 A HA 0.459 4.781 4.320 0.003 0.000 0.147 146 A C 0.777 178.416 177.584 0.093 0.000 1.021 146 A CA 0.388 52.470 52.037 0.075 0.000 1.079 146 A CB -0.989 18.037 19.000 0.045 0.000 0.957 146 A HN 1.276 nan 8.150 nan 0.000 0.543 147 L N -0.886 120.384 121.223 0.080 0.000 2.473 147 L HA 0.541 4.883 4.340 0.003 0.000 0.268 147 L C 0.000 176.947 176.870 0.128 0.000 1.215 147 L CA 0.850 55.754 54.840 0.105 0.000 0.823 147 L CB 0.661 42.786 42.059 0.110 0.000 1.099 147 L HN 0.662 nan 8.230 nan 0.000 0.483 148 M N 5.239 124.936 119.600 0.162 0.000 2.437 148 M HA 0.279 4.761 4.480 0.003 0.000 0.203 148 M C -1.851 174.504 176.300 0.091 0.000 0.957 148 M CA -0.303 55.036 55.300 0.064 0.000 0.872 148 M CB 0.596 33.214 32.600 0.030 0.000 2.556 148 M HN 0.606 nan 8.290 nan 0.000 0.428 149 F N 1.070 120.988 119.950 -0.054 0.000 2.740 149 F HA 0.738 5.266 4.527 0.002 0.000 0.357 149 F C -0.225 175.457 175.800 -0.197 0.000 1.141 149 F CA -1.339 56.588 58.000 -0.123 0.000 1.044 149 F CB 0.260 39.252 39.000 -0.013 0.000 1.430 149 F HN 0.427 nan 8.300 nan 0.000 0.518 150 N N 0.461 119.004 118.700 -0.261 0.000 2.513 150 N HA 0.233 4.974 4.740 0.003 0.000 0.268 150 N C -0.274 175.080 175.510 -0.260 0.000 1.180 150 N CA -0.025 52.752 53.050 -0.454 0.000 0.948 150 N CB 0.719 38.627 38.487 -0.965 0.000 1.083 150 N HN 0.786 nan 8.380 nan 0.000 0.455 151 L N 1.949 123.056 121.223 -0.193 0.000 2.966 151 L HA 0.219 4.560 4.340 0.003 0.000 0.262 151 L C 1.059 177.927 176.870 -0.002 0.000 1.165 151 L CA -0.115 54.673 54.840 -0.087 0.000 0.978 151 L CB 0.354 42.308 42.059 -0.174 0.000 1.337 151 L HN 0.383 nan 8.230 nan 0.000 0.563 152 Q N 0.106 119.908 119.800 0.003 0.000 2.392 152 Q HA 0.195 4.537 4.340 0.003 0.000 0.203 152 Q C 0.049 176.114 176.000 0.110 0.000 0.917 152 Q CA 0.590 56.419 55.803 0.043 0.000 0.939 152 Q CB 0.699 29.458 28.738 0.034 0.000 1.063 152 Q HN 0.256 nan 8.270 nan 0.000 0.516 153 E N 1.089 121.410 120.200 0.201 0.000 2.191 153 E HA 0.190 4.541 4.350 0.003 0.000 0.263 153 E C -1.893 174.950 176.600 0.406 0.000 0.881 153 E CA -2.010 54.580 56.400 0.317 0.000 0.757 153 E CB 2.155 32.173 29.700 0.531 0.000 1.147 153 E HN -0.131 nan 8.360 nan 0.000 0.414 154 P HA -0.184 nan 4.420 nan 0.000 0.225 154 P C 1.255 178.850 177.300 0.492 0.000 1.148 154 P CA 0.819 64.143 63.100 0.373 0.000 0.779 154 P CB 0.228 32.139 31.700 0.352 0.000 0.780 155 Y N 0.909 121.285 120.300 0.128 0.000 2.165 155 Y HA -0.212 4.340 4.550 0.003 0.000 0.286 155 Y C 1.979 177.963 175.900 0.140 0.000 1.155 155 Y CA 1.593 59.673 58.100 -0.034 0.000 1.164 155 Y CB -1.124 37.083 38.460 -0.423 0.000 0.978 155 Y HN -0.207 nan 8.280 nan 0.000 0.513 156 F N -0.802 119.281 119.950 0.223 0.000 2.293 156 F HA -0.053 4.476 4.527 0.003 0.000 0.297 156 F C 2.592 178.510 175.800 0.195 0.000 1.089 156 F CA 1.463 59.555 58.000 0.153 0.000 1.377 156 F CB -1.255 37.964 39.000 0.366 0.000 1.051 156 F HN 0.058 nan 8.300 nan 0.000 0.511 157 T N -2.996 111.868 114.554 0.517 0.000 3.067 157 T HA -0.170 4.182 4.350 0.003 0.000 0.261 157 T C 1.849 176.677 174.700 0.215 0.000 1.110 157 T CA 0.191 62.511 62.100 0.367 0.000 1.113 157 T CB -0.786 68.275 68.868 0.322 0.000 0.917 157 T HN 0.546 nan 8.240 nan 0.000 0.499 158 W N 2.806 124.188 121.300 0.136 0.000 2.342 158 W HA -0.055 4.607 4.660 0.003 0.000 0.297 158 W C -1.705 174.796 176.519 -0.031 0.000 1.213 158 W CA 0.818 58.228 57.345 0.109 0.000 1.251 158 W CB -1.050 28.607 29.460 0.328 0.000 1.136 158 W HN 0.294 nan 8.180 nan 0.000 0.526 159 P HA -0.242 nan 4.420 nan 0.000 0.216 159 P C 1.764 178.873 177.300 -0.318 0.000 1.154 159 P CA 1.806 64.800 63.100 -0.177 0.000 0.865 159 P CB -0.426 31.253 31.700 -0.036 0.000 0.789 160 L N -1.530 119.450 121.223 -0.405 0.000 2.209 160 L HA 0.020 4.361 4.340 0.003 0.000 0.207 160 L C 2.087 178.547 176.870 -0.683 0.000 1.094 160 L CA 1.344 55.763 54.840 -0.702 0.000 0.790 160 L CB -0.811 40.571 42.059 -1.128 0.000 0.932 160 L HN -0.127 nan 8.230 nan 0.000 0.447 161 I N -0.459 119.755 120.570 -0.594 0.000 2.202 161 I HA -0.213 3.958 4.170 0.003 0.000 0.242 161 I C 2.280 177.955 176.117 -0.737 0.000 1.091 161 I CA 1.254 62.197 61.300 -0.593 0.000 1.368 161 I CB -0.488 37.227 38.000 -0.475 0.000 1.058 161 I HN 0.295 nan 8.210 nan 0.000 0.410 162 A N 0.417 122.570 122.820 -1.111 0.000 2.218 162 A HA 0.253 4.575 4.320 0.003 0.000 0.209 162 A C 2.411 179.719 177.584 -0.460 0.000 1.168 162 A CA 0.811 52.301 52.037 -0.911 0.000 0.804 162 A CB -0.476 17.763 19.000 -1.269 0.000 0.834 162 A HN 0.377 nan 8.150 nan 0.000 0.482 163 A N -0.260 122.321 122.820 -0.399 0.000 2.067 163 A HA -0.173 4.149 4.320 0.003 0.000 0.224 163 A C 0.946 178.487 177.584 -0.071 0.000 1.172 163 A CA 2.023 53.951 52.037 -0.182 0.000 0.662 163 A CB -0.284 18.632 19.000 -0.139 0.000 0.814 163 A HN 0.522 nan 8.150 nan 0.000 0.468 164 D N -4.253 116.105 120.400 -0.071 0.000 2.445 164 D HA 0.444 5.086 4.640 0.003 0.000 0.236 164 D C 0.366 176.644 176.300 -0.037 0.000 1.315 164 D CA 0.989 54.974 54.000 -0.025 0.000 0.924 164 D CB 0.123 40.932 40.800 0.016 0.000 1.447 164 D HN 0.606 nan 8.370 nan 0.000 0.532 165 G N 2.127 110.911 108.800 -0.026 0.000 3.597 165 G HA2 -0.073 3.889 3.960 0.003 0.000 0.202 165 G HA3 -0.073 3.889 3.960 0.003 0.000 0.202 165 G C 0.924 175.828 174.900 0.005 0.000 1.702 165 G CA 0.034 45.142 45.100 0.013 0.000 1.354 165 G HN 1.030 nan 8.290 nan 0.000 0.609 166 G N 0.787 109.498 108.800 -0.149 0.000 2.469 166 G HA2 0.558 4.520 3.960 0.003 0.000 0.229 166 G HA3 0.558 4.520 3.960 0.003 0.000 0.229 166 G C -0.136 174.730 174.900 -0.058 0.000 1.222 166 G CA 1.559 46.514 45.100 -0.242 0.000 0.861 166 G HN 2.082 nan 8.290 nan 0.000 0.538 167 Y N -2.573 117.847 120.300 0.200 0.000 2.702 167 Y HA 0.669 5.220 4.550 0.003 0.000 0.336 167 Y C 0.521 176.584 175.900 0.272 0.000 1.203 167 Y CA -0.761 57.524 58.100 0.309 0.000 1.072 167 Y CB 0.385 38.927 38.460 0.137 0.000 1.327 167 Y HN 0.753 nan 8.280 nan 0.000 0.456 168 A N 0.995 123.935 122.820 0.199 0.000 1.865 168 A HA 0.467 4.788 4.320 0.003 0.000 0.216 168 A C -0.468 176.751 177.584 -0.608 0.000 1.315 168 A CA 1.110 52.719 52.037 -0.713 0.000 0.605 168 A CB -0.353 17.627 19.000 -1.700 0.000 0.984 168 A HN 0.542 nan 8.150 nan 0.000 0.470 169 F N -0.564 119.426 119.950 0.067 0.000 2.536 169 F HA 0.512 5.041 4.527 0.003 0.000 0.322 169 F C -0.092 175.836 175.800 0.213 0.000 1.144 169 F CA -1.381 56.702 58.000 0.139 0.000 0.924 169 F CB 1.548 40.534 39.000 -0.023 0.000 1.181 169 F HN 0.079 nan 8.300 nan 0.000 0.438 170 K N 2.382 122.963 120.400 0.303 0.000 2.491 170 K HA -0.048 4.273 4.320 0.003 0.000 0.279 170 K C -1.220 175.569 176.600 0.315 0.000 1.026 170 K CA 0.269 56.614 56.287 0.096 0.000 1.070 170 K CB -0.037 32.473 32.500 0.016 0.000 0.887 170 K HN 0.551 nan 8.250 nan 0.000 0.481 171 Y N 3.544 123.918 120.300 0.123 0.000 2.383 171 Y HA 0.455 5.007 4.550 0.003 0.000 0.344 171 Y C -0.769 175.083 175.900 -0.080 0.000 0.986 171 Y CA -0.699 57.383 58.100 -0.029 0.000 1.175 171 Y CB 0.639 39.074 38.460 -0.041 0.000 1.152 171 Y HN 0.603 nan 8.280 nan 0.000 0.511 172 A N 5.637 128.137 122.820 -0.533 0.000 2.410 172 A HA 0.692 5.013 4.320 0.003 0.000 0.289 172 A C 0.024 177.279 177.584 -0.548 0.000 1.200 172 A CA -0.409 51.361 52.037 -0.446 0.000 0.751 172 A CB -0.240 18.645 19.000 -0.192 0.000 1.161 172 A HN 1.946 nan 8.150 nan 0.000 0.459 173 A N 1.956 124.415 122.820 -0.601 0.000 2.060 173 A HA 0.332 4.654 4.320 0.003 0.000 0.267 173 A C 1.686 179.018 177.584 -0.421 0.000 1.378 173 A CA 1.149 52.940 52.037 -0.411 0.000 0.733 173 A CB -1.548 17.319 19.000 -0.221 0.000 1.188 173 A HN 3.000 nan 8.150 nan 0.000 0.311 174 G N -1.026 107.476 108.800 -0.496 0.000 2.421 174 G HA2 0.387 4.349 3.960 0.003 0.000 0.300 174 G HA3 0.387 4.349 3.960 0.003 0.000 0.300 174 G C 0.477 175.288 174.900 -0.149 0.000 0.974 174 G CA 1.959 46.980 45.100 -0.130 0.000 1.062 174 G HN 3.027 nan 8.290 nan 0.000 0.514 175 K N -1.480 118.705 120.400 -0.358 0.000 2.660 175 K HA 0.701 5.023 4.320 0.003 0.000 0.285 175 K C -1.129 175.298 176.600 -0.289 0.000 0.997 175 K CA -0.713 55.446 56.287 -0.214 0.000 0.861 175 K CB 0.928 33.352 32.500 -0.127 0.000 1.469 175 K HN 0.686 nan 8.250 nan 0.000 0.395 176 Y N 0.489 120.854 120.300 0.109 0.000 2.446 176 Y HA 0.530 5.082 4.550 0.003 0.000 0.338 176 Y C 0.116 176.036 175.900 0.034 0.000 1.055 176 Y CA -0.759 57.413 58.100 0.119 0.000 1.101 176 Y CB 2.437 40.980 38.460 0.139 0.000 1.221 176 Y HN 0.824 nan 8.280 nan 0.000 0.460 177 D N 3.169 123.715 120.400 0.243 0.000 2.485 177 D HA 0.165 4.807 4.640 0.003 0.000 0.221 177 D C 0.637 177.020 176.300 0.138 0.000 1.112 177 D CA -0.325 53.759 54.000 0.140 0.000 0.911 177 D CB 0.113 40.990 40.800 0.127 0.000 1.019 177 D HN 0.564 nan 8.370 nan 0.000 0.516 178 I N -0.215 120.328 120.570 -0.046 0.000 3.492 178 I HA 0.083 4.255 4.170 0.003 0.000 0.305 178 I C 0.329 176.477 176.117 0.052 0.000 1.256 178 I CA 0.338 61.502 61.300 -0.226 0.000 1.244 178 I CB -0.003 37.748 38.000 -0.415 0.000 1.001 178 I HN -0.019 nan 8.210 nan 0.000 0.536 179 K N 1.180 121.658 120.400 0.131 0.000 2.469 179 K HA 0.240 4.562 4.320 0.003 0.000 0.204 179 K C -0.584 176.127 176.600 0.185 0.000 1.047 179 K CA 0.087 56.458 56.287 0.140 0.000 1.072 179 K CB 0.428 32.982 32.500 0.090 0.000 0.863 179 K HN 0.360 nan 8.250 nan 0.000 0.530 180 D N 0.834 121.396 120.400 0.270 0.000 2.429 180 D HA 0.130 4.771 4.640 0.003 0.000 0.255 180 D C -0.972 175.576 176.300 0.414 0.000 1.257 180 D CA -0.302 53.873 54.000 0.292 0.000 0.890 180 D CB 0.709 41.662 40.800 0.254 0.000 1.267 180 D HN -0.295 nan 8.370 nan 0.000 0.521 181 V N 1.489 121.599 119.914 0.326 0.000 2.743 181 V HA 0.766 4.888 4.120 0.003 0.000 0.301 181 V C 1.309 177.436 176.094 0.054 0.000 1.057 181 V CA -0.396 62.047 62.300 0.238 0.000 1.006 181 V CB 1.891 33.815 31.823 0.169 0.000 1.024 181 V HN 0.638 nan 8.190 nan 0.000 0.473 182 G N 1.503 110.127 108.800 -0.293 0.000 4.951 182 G HA2 0.404 4.366 3.960 0.003 0.000 0.282 182 G HA3 0.404 4.366 3.960 0.003 0.000 0.282 182 G C 0.153 174.782 174.900 -0.451 0.000 1.301 182 G CA 0.276 44.864 45.100 -0.853 0.000 0.975 182 G HN 0.834 nan 8.290 nan 0.000 0.589 183 V N -1.776 118.060 119.914 -0.130 0.000 3.376 183 V HA 0.299 4.421 4.120 0.003 0.000 0.313 183 V C 0.437 176.510 176.094 -0.035 0.000 1.393 183 V CA 0.435 62.739 62.300 0.008 0.000 1.125 183 V CB 0.211 32.081 31.823 0.078 0.000 1.037 183 V HN 0.353 nan 8.190 nan 0.000 0.440 184 D N 0.084 120.441 120.400 -0.072 0.000 2.740 184 D HA 0.046 4.688 4.640 0.003 0.000 0.305 184 D C 0.023 176.291 176.300 -0.054 0.000 1.583 184 D CA -0.215 53.756 54.000 -0.049 0.000 0.790 184 D CB -0.393 40.391 40.800 -0.026 0.000 1.187 184 D HN 0.569 nan 8.370 nan 0.000 0.447 185 N N 0.516 119.164 118.700 -0.086 0.000 2.495 185 N HA 0.312 5.054 4.740 0.003 0.000 0.294 185 N C 1.350 176.834 175.510 -0.044 0.000 1.276 185 N CA 0.119 53.131 53.050 -0.063 0.000 0.973 185 N CB 0.625 39.060 38.487 -0.087 0.000 1.143 185 N HN -0.058 nan 8.380 nan 0.000 0.589 186 A N 0.331 123.137 122.820 -0.024 0.000 2.007 186 A HA -0.191 4.131 4.320 0.003 0.000 0.214 186 A C 2.125 179.700 177.584 -0.014 0.000 1.302 186 A CA 3.121 55.150 52.037 -0.014 0.000 0.770 186 A CB -1.988 17.007 19.000 -0.007 0.000 0.831 186 A HN 0.862 nan 8.150 nan 0.000 0.491 187 G N -1.215 107.576 108.800 -0.015 0.000 2.469 187 G HA2 -0.049 3.913 3.960 0.003 0.000 0.220 187 G HA3 -0.049 3.913 3.960 0.003 0.000 0.220 187 G C 1.743 176.627 174.900 -0.027 0.000 1.136 187 G CA 2.098 47.200 45.100 0.003 0.000 0.759 187 G HN 1.131 nan 8.290 nan 0.000 0.562 188 A N 1.146 123.915 122.820 -0.085 0.000 1.869 188 A HA -0.154 4.168 4.320 0.003 0.000 0.218 188 A C 2.283 179.815 177.584 -0.087 0.000 1.203 188 A CA 2.156 54.117 52.037 -0.128 0.000 0.638 188 A CB -0.466 18.462 19.000 -0.120 0.000 0.831 188 A HN 0.407 nan 8.150 nan 0.000 0.450 189 K N -0.420 119.954 120.400 -0.044 0.000 2.365 189 K HA 0.101 4.423 4.320 0.003 0.000 0.199 189 K C 2.132 178.742 176.600 0.016 0.000 1.045 189 K CA 0.686 56.961 56.287 -0.021 0.000 0.962 189 K CB -0.231 32.262 32.500 -0.010 0.000 0.759 189 K HN 0.481 nan 8.250 nan 0.000 0.469 190 A N 1.422 124.274 122.820 0.055 0.000 1.873 190 A HA -0.050 4.271 4.320 0.003 0.000 0.215 190 A C 2.380 180.108 177.584 0.240 0.000 1.186 190 A CA 1.789 53.939 52.037 0.188 0.000 0.616 190 A CB -0.935 18.202 19.000 0.228 0.000 0.823 190 A HN 0.384 nan 8.150 nan 0.000 0.442 191 G N -0.305 108.456 108.800 -0.065 0.000 2.404 191 G HA2 -0.057 3.905 3.960 0.003 0.000 0.214 191 G HA3 -0.057 3.905 3.960 0.003 0.000 0.214 191 G C 1.457 176.144 174.900 -0.355 0.000 1.189 191 G CA 1.005 45.719 45.100 -0.643 0.000 0.789 191 G HN 0.472 nan 8.290 nan 0.000 0.533 192 L N 1.321 122.424 121.223 -0.201 0.000 2.129 192 L HA -0.055 4.287 4.340 0.003 0.000 0.212 192 L C 2.767 179.600 176.870 -0.061 0.000 1.087 192 L CA 2.502 57.271 54.840 -0.118 0.000 0.757 192 L CB -0.933 41.082 42.059 -0.074 0.000 0.896 192 L HN 0.197 nan 8.230 nan 0.000 0.434 193 T N -0.874 113.674 114.554 -0.010 0.000 2.737 193 T HA -0.190 4.162 4.350 0.003 0.000 0.265 193 T C 1.602 176.344 174.700 0.071 0.000 1.038 193 T CA 1.616 63.739 62.100 0.038 0.000 1.144 193 T CB -0.530 68.386 68.868 0.081 0.000 0.866 193 T HN 0.378 nan 8.240 nan 0.000 0.434 194 F N 1.854 121.776 119.950 -0.045 0.000 2.126 194 F HA -0.071 4.457 4.527 0.002 0.000 0.299 194 F C 1.951 177.730 175.800 -0.034 0.000 1.096 194 F CA 0.729 58.722 58.000 -0.012 0.000 1.255 194 F CB -0.566 38.420 39.000 -0.024 0.000 0.997 194 F HN 0.050 nan 8.300 nan 0.000 0.479 195 L N -0.301 120.847 121.223 -0.126 0.000 2.083 195 L HA -0.121 4.221 4.340 0.003 0.000 0.209 195 L C 2.132 178.915 176.870 -0.144 0.000 1.083 195 L CA 1.543 56.290 54.840 -0.155 0.000 0.752 195 L CB -0.917 41.088 42.059 -0.090 0.000 0.899 195 L HN 0.043 nan 8.230 nan 0.000 0.433 196 V N -0.139 119.712 119.914 -0.105 0.000 2.307 196 V HA -0.262 3.860 4.120 0.003 0.000 0.245 196 V C 2.308 178.347 176.094 -0.093 0.000 1.045 196 V CA 1.961 64.212 62.300 -0.082 0.000 1.024 196 V CB -0.839 30.951 31.823 -0.053 0.000 0.651 196 V HN 0.452 nan 8.190 nan 0.000 0.449 197 D N 0.451 120.788 120.400 -0.105 0.000 2.104 197 D HA -0.150 4.491 4.640 0.003 0.000 0.194 197 D C 2.160 178.401 176.300 -0.098 0.000 0.994 197 D CA 1.360 55.306 54.000 -0.091 0.000 0.830 197 D CB -0.229 40.528 40.800 -0.072 0.000 0.959 197 D HN 0.354 nan 8.370 nan 0.000 0.452 198 L N 0.642 121.775 121.223 -0.151 0.000 2.187 198 L HA -0.154 4.188 4.340 0.003 0.000 0.213 198 L C 2.453 179.312 176.870 -0.018 0.000 1.100 198 L CA 0.666 55.525 54.840 0.032 0.000 0.765 198 L CB -0.394 41.593 42.059 -0.120 0.000 0.904 198 L HN 0.058 nan 8.230 nan 0.000 0.437 199 I N 0.239 120.759 120.570 -0.082 0.000 2.339 199 I HA -0.159 4.012 4.170 0.003 0.000 0.245 199 I C 3.096 179.150 176.117 -0.104 0.000 1.096 199 I CA 1.088 62.335 61.300 -0.089 0.000 1.408 199 I CB -0.527 37.421 38.000 -0.085 0.000 1.092 199 I HN 0.136 nan 8.210 nan 0.000 0.423 200 K N 0.729 121.071 120.400 -0.097 0.000 2.283 200 K HA -0.085 4.237 4.320 0.003 0.000 0.202 200 K C 1.474 177.997 176.600 -0.129 0.000 1.048 200 K CA 1.463 57.695 56.287 -0.091 0.000 0.948 200 K CB -0.908 31.552 32.500 -0.067 0.000 0.742 200 K HN 0.373 nan 8.250 nan 0.000 0.458 201 N N 0.180 118.761 118.700 -0.197 0.000 2.398 201 N HA 0.030 4.772 4.740 0.003 0.000 0.188 201 N C -0.401 174.830 175.510 -0.465 0.000 1.122 201 N CA 0.476 53.325 53.050 -0.335 0.000 0.866 201 N CB 0.700 38.925 38.487 -0.438 0.000 0.970 201 N HN 0.539 nan 8.380 nan 0.000 0.462 202 K N -0.649 119.571 120.400 -0.299 0.000 3.341 202 K HA -0.194 4.128 4.320 0.003 0.000 0.305 202 K C 0.258 176.748 176.600 -0.183 0.000 1.270 202 K CA 0.532 56.695 56.287 -0.206 0.000 0.897 202 K CB -1.337 31.071 32.500 -0.154 0.000 1.264 202 K HN 0.371 nan 8.250 nan 0.000 0.468 203 H N -0.190 118.853 119.070 -0.044 0.000 2.326 203 H HA 0.002 4.559 4.556 0.001 0.000 0.301 203 H C 1.440 176.745 175.328 -0.038 0.000 1.081 203 H CA 1.845 57.874 56.048 -0.031 0.000 1.334 203 H CB 0.026 29.767 29.762 -0.035 0.000 1.385 203 H HN 0.517 nan 8.280 nan 0.000 0.504 204 M N -1.572 118.057 119.600 0.049 0.000 2.704 204 M HA 0.559 5.041 4.480 0.003 0.000 0.284 204 M C -0.503 175.757 176.300 -0.067 0.000 1.275 204 M CA -0.835 54.447 55.300 -0.030 0.000 0.811 204 M CB 2.072 34.623 32.600 -0.081 0.000 1.741 204 M HN 0.005 nan 8.290 nan 0.000 0.458 205 N N -0.299 118.349 118.700 -0.088 0.000 2.258 205 N HA 0.693 5.434 4.740 0.003 0.000 0.299 205 N C 0.334 175.787 175.510 -0.095 0.000 1.047 205 N CA -0.437 52.564 53.050 -0.082 0.000 0.814 205 N CB 1.857 40.307 38.487 -0.062 0.000 1.413 205 N HN 0.959 nan 8.380 nan 0.000 0.478 206 A N -0.161 122.611 122.820 -0.081 0.000 2.272 206 A HA -0.069 4.253 4.320 0.003 0.000 0.213 206 A C 1.288 178.835 177.584 -0.062 0.000 1.183 206 A CA 1.754 53.747 52.037 -0.074 0.000 0.719 206 A CB -0.396 18.569 19.000 -0.058 0.000 0.771 206 A HN 0.858 nan 8.150 nan 0.000 0.484 207 D N -1.457 118.908 120.400 -0.058 0.000 2.366 207 D HA -0.016 4.626 4.640 0.003 0.000 0.205 207 D C 0.017 176.287 176.300 -0.050 0.000 1.022 207 D CA 0.308 54.282 54.000 -0.043 0.000 0.868 207 D CB -0.793 39.988 40.800 -0.032 0.000 0.953 207 D HN 0.170 nan 8.370 nan 0.000 0.514 208 T N 3.008 117.515 114.554 -0.077 0.000 2.829 208 T HA 0.126 4.478 4.350 0.003 0.000 0.293 208 T C 0.248 174.889 174.700 -0.097 0.000 0.970 208 T CA 0.139 62.183 62.100 -0.094 0.000 1.168 208 T CB 0.899 69.682 68.868 -0.142 0.000 0.911 208 T HN 0.339 nan 8.240 nan 0.000 0.535 209 D N 1.979 122.341 120.400 -0.063 0.000 2.577 209 D HA 0.135 4.776 4.640 0.003 0.000 0.248 209 D C 1.101 177.374 176.300 -0.046 0.000 1.181 209 D CA -0.684 53.294 54.000 -0.036 0.000 1.083 209 D CB -0.011 40.802 40.800 0.021 0.000 1.198 209 D HN 0.339 nan 8.370 nan 0.000 0.626 210 Y N 0.580 120.829 120.300 -0.085 0.000 2.138 210 Y HA -0.086 4.466 4.550 0.004 0.000 0.286 210 Y C 2.783 178.678 175.900 -0.007 0.000 1.115 210 Y CA 3.014 61.072 58.100 -0.069 0.000 1.105 210 Y CB -0.597 37.856 38.460 -0.011 0.000 1.004 210 Y HN 0.412 nan 8.280 nan 0.000 0.494 211 S N 0.129 116.019 115.700 0.317 0.000 2.402 211 S HA -0.253 4.219 4.470 0.003 0.000 0.233 211 S C 1.981 176.632 174.600 0.086 0.000 1.030 211 S CA 1.842 60.172 58.200 0.217 0.000 1.003 211 S CB -1.129 62.165 63.200 0.157 0.000 0.813 211 S HN 0.539 nan 8.310 nan 0.000 0.477 212 I N 1.970 122.562 120.570 0.037 0.000 2.233 212 I HA -0.059 4.113 4.170 0.003 0.000 0.243 212 I C 3.097 179.202 176.117 -0.021 0.000 1.093 212 I CA 1.005 62.308 61.300 0.005 0.000 1.380 212 I CB -0.721 37.273 38.000 -0.010 0.000 1.067 212 I HN 0.416 nan 8.210 nan 0.000 0.413 213 A N 0.383 123.154 122.820 -0.083 0.000 1.908 213 A HA -0.271 4.051 4.320 0.003 0.000 0.218 213 A C 2.255 179.794 177.584 -0.075 0.000 1.181 213 A CA 2.021 53.994 52.037 -0.107 0.000 0.627 213 A CB -0.641 18.237 19.000 -0.204 0.000 0.818 213 A HN 0.524 nan 8.150 nan 0.000 0.445 214 E N -0.154 119.974 120.200 -0.119 0.000 1.998 214 E HA -0.098 4.254 4.350 0.003 0.000 0.196 214 E C 2.187 178.834 176.600 0.078 0.000 1.003 214 E CA 1.080 57.461 56.400 -0.031 0.000 0.829 214 E CB -0.374 29.324 29.700 -0.004 0.000 0.777 214 E HN 0.438 nan 8.360 nan 0.000 0.460 215 A N 0.992 123.852 122.820 0.067 0.000 2.009 215 A HA -0.217 4.105 4.320 0.003 0.000 0.222 215 A C 2.244 179.868 177.584 0.067 0.000 1.175 215 A CA 2.111 54.188 52.037 0.066 0.000 0.651 215 A CB -0.862 18.172 19.000 0.055 0.000 0.815 215 A HN 0.448 nan 8.150 nan 0.000 0.459 216 A N -3.058 119.808 122.820 0.077 0.000 2.235 216 A HA 0.352 4.674 4.320 0.003 0.000 0.208 216 A C 1.504 179.185 177.584 0.162 0.000 1.172 216 A CA 0.999 53.088 52.037 0.087 0.000 0.786 216 A CB -0.432 18.607 19.000 0.066 0.000 0.804 216 A HN 0.625 nan 8.150 nan 0.000 0.479 217 F N -0.266 119.676 119.950 -0.013 0.000 2.619 217 F HA 0.179 4.707 4.527 0.002 0.000 0.281 217 F C 1.446 177.235 175.800 -0.019 0.000 1.065 217 F CA 0.455 58.449 58.000 -0.010 0.000 1.304 217 F CB 0.208 39.199 39.000 -0.014 0.000 1.059 217 F HN 0.132 nan 8.300 nan 0.000 0.648 218 N N 1.178 119.896 118.700 0.029 0.000 2.309 218 N HA -0.099 4.643 4.740 0.003 0.000 0.182 218 N C 1.901 177.358 175.510 -0.088 0.000 1.018 218 N CA 1.618 54.629 53.050 -0.065 0.000 0.876 218 N CB -0.515 37.976 38.487 0.007 0.000 0.972 218 N HN 0.447 nan 8.380 nan 0.000 0.434 219 K N 0.597 120.966 120.400 -0.052 0.000 2.167 219 K HA 0.224 4.545 4.320 0.003 0.000 0.203 219 K C 1.314 177.866 176.600 -0.079 0.000 1.052 219 K CA 1.173 57.433 56.287 -0.046 0.000 0.956 219 K CB -0.681 31.811 32.500 -0.013 0.000 0.735 219 K HN 0.327 nan 8.250 nan 0.000 0.451 220 G N 0.041 108.769 108.800 -0.121 0.000 2.145 220 G HA2 -0.182 3.780 3.960 0.003 0.000 0.176 220 G HA3 -0.182 3.780 3.960 0.003 0.000 0.176 220 G C 0.656 175.516 174.900 -0.067 0.000 1.013 220 G CA 0.494 45.507 45.100 -0.146 0.000 0.689 220 G HN 0.556 nan 8.290 nan 0.000 0.506 221 E N -0.542 119.644 120.200 -0.023 0.000 2.065 221 E HA 0.101 4.453 4.350 0.003 0.000 0.191 221 E C 1.287 177.922 176.600 0.058 0.000 0.960 221 E CA 0.893 57.305 56.400 0.019 0.000 0.824 221 E CB 0.165 29.882 29.700 0.029 0.000 0.793 221 E HN 0.299 nan 8.360 nan 0.000 0.459 222 T N -0.779 113.847 114.554 0.120 0.000 2.909 222 T HA 0.393 4.745 4.350 0.003 0.000 0.286 222 T C 0.637 175.510 174.700 0.289 0.000 1.002 222 T CA 0.072 62.287 62.100 0.192 0.000 1.074 222 T CB 1.540 70.540 68.868 0.220 0.000 0.984 222 T HN 0.141 nan 8.240 nan 0.000 0.495 223 A N 4.566 127.539 122.820 0.254 0.000 1.984 223 A HA 0.413 4.734 4.320 0.003 0.000 0.214 223 A C 0.854 178.721 177.584 0.472 0.000 1.173 223 A CA 0.596 52.813 52.037 0.300 0.000 0.673 223 A CB -0.017 19.089 19.000 0.177 0.000 0.830 223 A HN 0.750 nan 8.150 nan 0.000 0.453 224 M N -1.731 118.042 119.600 0.289 0.000 2.619 224 M HA 0.534 5.016 4.480 0.003 0.000 0.297 224 M C -0.488 175.751 176.300 -0.101 0.000 1.229 224 M CA -0.299 55.069 55.300 0.113 0.000 0.860 224 M CB 2.505 35.139 32.600 0.057 0.000 1.741 224 M HN 0.121 nan 8.290 nan 0.000 0.462 225 T N 0.781 115.171 114.554 -0.273 0.000 2.739 225 T HA 0.773 5.125 4.350 0.003 0.000 0.303 225 T C -2.084 172.523 174.700 -0.156 0.000 1.389 225 T CA -0.555 61.403 62.100 -0.236 0.000 1.001 225 T CB 1.469 70.011 68.868 -0.543 0.000 1.436 225 T HN 0.612 nan 8.240 nan 0.000 0.500 226 I N 3.193 123.732 120.570 -0.050 0.000 2.500 226 I HA 0.509 4.681 4.170 0.003 0.000 0.286 226 I C -0.483 175.712 176.117 0.130 0.000 1.063 226 I CA -0.750 60.524 61.300 -0.043 0.000 1.062 226 I CB 1.841 39.709 38.000 -0.220 0.000 1.223 226 I HN 0.510 nan 8.210 nan 0.000 0.435 227 N N 2.808 121.532 118.700 0.040 0.000 3.344 227 N HA 0.580 5.322 4.740 0.003 0.000 0.296 227 N C -0.833 174.463 175.510 -0.357 0.000 1.571 227 N CA -0.352 52.732 53.050 0.058 0.000 0.844 227 N CB 2.444 40.938 38.487 0.012 0.000 1.718 227 N HN 0.619 nan 8.380 nan 0.000 0.589 228 G N 0.051 108.188 108.800 -1.106 0.000 2.491 228 G HA2 0.456 4.418 3.960 0.003 0.000 0.327 228 G HA3 0.456 4.418 3.960 0.003 0.000 0.327 228 G C -1.895 171.866 174.900 -1.899 0.000 1.189 228 G CA -1.134 42.767 45.100 -1.998 0.000 0.956 228 G HN 0.310 nan 8.290 nan 0.000 0.491 229 P HA -0.159 nan 4.420 nan 0.000 0.217 229 P C 1.405 177.835 177.300 -1.449 0.000 1.151 229 P CA 1.819 63.544 63.100 -2.292 0.000 0.849 229 P CB -0.020 30.804 31.700 -1.459 0.000 0.787 230 W N -0.316 120.667 121.300 -0.528 0.000 2.436 230 W HA 0.010 4.672 4.660 0.003 0.000 0.261 230 W C 1.575 178.006 176.519 -0.148 0.000 1.222 230 W CA 0.882 58.079 57.345 -0.247 0.000 1.191 230 W CB -1.877 27.499 29.460 -0.140 0.000 1.132 230 W HN -0.102 nan 8.180 nan 0.000 0.596 231 A N -0.622 121.968 122.820 -0.384 0.000 2.267 231 A HA 0.153 4.474 4.320 0.003 0.000 0.213 231 A C 1.360 178.978 177.584 0.057 0.000 1.192 231 A CA 0.193 52.216 52.037 -0.024 0.000 0.851 231 A CB -1.048 17.930 19.000 -0.036 0.000 0.881 231 A HN 0.381 nan 8.150 nan 0.000 0.494 232 W N 1.378 122.669 121.300 -0.015 0.000 2.465 232 W HA -0.110 4.552 4.660 0.003 0.000 0.268 232 W C 2.424 178.943 176.519 0.001 0.000 1.242 232 W CA 0.882 58.235 57.345 0.013 0.000 1.248 232 W CB -1.301 28.265 29.460 0.175 0.000 1.118 232 W HN 0.567 nan 8.180 nan 0.000 0.587 233 S N 0.596 116.432 115.700 0.226 0.000 2.345 233 S HA -0.173 4.299 4.470 0.003 0.000 0.220 233 S C 1.651 176.300 174.600 0.083 0.000 1.031 233 S CA 1.195 59.483 58.200 0.147 0.000 0.996 233 S CB -0.908 62.359 63.200 0.112 0.000 0.882 233 S HN 0.170 nan 8.310 nan 0.000 0.445 234 N N 1.788 120.532 118.700 0.073 0.000 2.289 234 N HA 0.081 4.823 4.740 0.003 0.000 0.184 234 N C 1.767 177.277 175.510 0.000 0.000 1.016 234 N CA 1.352 54.432 53.050 0.050 0.000 0.872 234 N CB -0.379 38.160 38.487 0.086 0.000 0.973 234 N HN 0.532 nan 8.380 nan 0.000 0.433 235 I N 0.597 121.124 120.570 -0.071 0.000 2.480 235 I HA -0.145 4.027 4.170 0.003 0.000 0.251 235 I C 1.693 177.684 176.117 -0.210 0.000 1.124 235 I CA 0.668 61.826 61.300 -0.237 0.000 1.444 235 I CB -0.140 37.487 38.000 -0.621 0.000 1.098 235 I HN -0.111 nan 8.210 nan 0.000 0.428 236 D N 1.112 121.458 120.400 -0.090 0.000 2.088 236 D HA -0.161 4.481 4.640 0.003 0.000 0.191 236 D C 1.789 178.118 176.300 0.049 0.000 0.992 236 D CA 2.066 56.118 54.000 0.087 0.000 0.831 236 D CB -0.382 40.515 40.800 0.161 0.000 0.973 236 D HN 0.286 nan 8.370 nan 0.000 0.447 237 T N -1.759 112.818 114.554 0.038 0.000 3.609 237 T HA 0.142 4.494 4.350 0.003 0.000 0.245 237 T C 1.006 175.712 174.700 0.010 0.000 0.980 237 T CA 0.103 62.220 62.100 0.028 0.000 0.940 237 T CB -0.020 68.867 68.868 0.032 0.000 1.105 237 T HN -0.104 nan 8.240 nan 0.000 0.627 238 S N -0.080 115.617 115.700 -0.006 0.000 2.733 238 S HA 0.556 5.028 4.470 0.003 0.000 0.247 238 S C 1.340 175.922 174.600 -0.030 0.000 1.043 238 S CA 0.414 58.600 58.200 -0.023 0.000 1.066 238 S CB -0.387 62.784 63.200 -0.049 0.000 1.045 238 S HN 1.313 nan 8.310 nan 0.000 0.586 239 A N 0.162 122.973 122.820 -0.014 0.000 2.860 239 A HA -0.121 4.200 4.320 0.003 0.000 0.267 239 A C 0.065 177.629 177.584 -0.034 0.000 1.421 239 A CA 0.953 52.981 52.037 -0.015 0.000 0.831 239 A CB -2.429 16.561 19.000 -0.017 0.000 1.041 239 A HN 0.726 nan 8.150 nan 0.000 0.623 240 V N 0.497 120.386 119.914 -0.042 0.000 2.495 240 V HA 0.484 4.606 4.120 0.003 0.000 0.298 240 V C 0.279 176.385 176.094 0.019 0.000 1.031 240 V CA -0.340 61.912 62.300 -0.080 0.000 0.871 240 V CB 1.852 33.553 31.823 -0.205 0.000 0.988 240 V HN 0.631 nan 8.190 nan 0.000 0.432 241 N N 4.248 122.941 118.700 -0.012 0.000 2.411 241 N HA 0.351 5.093 4.740 0.003 0.000 0.259 241 N C -1.077 174.449 175.510 0.028 0.000 1.103 241 N CA -0.165 52.892 53.050 0.012 0.000 0.954 241 N CB 0.396 38.849 38.487 -0.057 0.000 1.085 241 N HN 0.625 nan 8.380 nan 0.000 0.485 242 Y N 0.872 121.065 120.300 -0.179 0.000 2.524 242 Y HA 0.836 5.387 4.550 0.002 0.000 0.347 242 Y C 0.042 175.748 175.900 -0.324 0.000 1.005 242 Y CA -1.602 56.378 58.100 -0.199 0.000 1.025 242 Y CB 0.789 39.270 38.460 0.035 0.000 1.275 242 Y HN 0.409 nan 8.280 nan 0.000 0.460 243 G N 0.770 109.162 108.800 -0.680 0.000 2.667 243 G HA2 0.678 4.640 3.960 0.003 0.000 0.310 243 G HA3 0.678 4.640 3.960 0.003 0.000 0.310 243 G C -1.900 172.795 174.900 -0.343 0.000 1.259 243 G CA -1.331 43.363 45.100 -0.676 0.000 1.019 243 G HN 0.736 nan 8.290 nan 0.000 0.496 244 V N -0.262 119.561 119.914 -0.151 0.000 2.612 244 V HA 0.659 4.781 4.120 0.003 0.000 0.301 244 V C -0.013 176.118 176.094 0.062 0.000 1.059 244 V CA -0.428 61.875 62.300 0.004 0.000 0.886 244 V CB 1.276 33.023 31.823 -0.127 0.000 1.007 244 V HN 1.063 nan 8.190 nan 0.000 0.426 245 T N 2.848 117.469 114.554 0.110 0.000 2.626 245 T HA 0.674 5.025 4.350 0.003 0.000 0.279 245 T C -0.383 174.314 174.700 -0.005 0.000 0.983 245 T CA -0.269 61.852 62.100 0.035 0.000 1.059 245 T CB 1.852 70.723 68.868 0.006 0.000 1.396 245 T HN 0.330 nan 8.240 nan 0.000 0.519 246 V N 1.980 121.871 119.914 -0.039 0.000 3.237 246 V HA 0.293 4.415 4.120 0.003 0.000 0.305 246 V C 0.512 176.555 176.094 -0.085 0.000 1.096 246 V CA -0.263 62.007 62.300 -0.049 0.000 1.130 246 V CB 0.170 31.962 31.823 -0.052 0.000 1.048 246 V HN 0.617 nan 8.190 nan 0.000 0.484 247 L N 3.246 124.424 121.223 -0.074 0.000 2.350 247 L HA 0.360 4.702 4.340 0.003 0.000 0.275 247 L C -2.193 174.602 176.870 -0.125 0.000 1.099 247 L CA -1.618 53.155 54.840 -0.112 0.000 0.808 247 L CB 0.909 42.951 42.059 -0.029 0.000 1.149 247 L HN 0.456 nan 8.230 nan 0.000 0.442 248 P HA 0.006 nan 4.420 nan 0.000 0.267 248 P C -0.480 176.863 177.300 0.072 0.000 1.200 248 P CA -0.175 62.721 63.100 -0.339 0.000 0.772 248 P CB 0.410 31.523 31.700 -0.978 0.000 0.855 249 T N -0.519 114.110 114.554 0.125 0.000 2.874 249 T HA 0.542 4.893 4.350 0.003 0.000 0.281 249 T C -0.759 174.191 174.700 0.417 0.000 0.994 249 T CA -0.402 61.832 62.100 0.223 0.000 1.015 249 T CB 0.361 69.272 68.868 0.072 0.000 1.028 249 T HN 0.178 nan 8.240 nan 0.000 0.523 250 F N 1.478 121.467 119.950 0.065 0.000 2.536 250 F HA 0.472 5.000 4.527 0.002 0.000 0.322 250 F C 0.323 176.047 175.800 -0.126 0.000 1.144 250 F CA -1.263 56.681 58.000 -0.092 0.000 0.924 250 F CB 1.209 40.044 39.000 -0.274 0.000 1.181 250 F HN 0.888 nan 8.300 nan 0.000 0.438 251 K N 4.440 124.401 120.400 -0.732 0.000 3.096 251 K HA -0.196 4.125 4.320 0.003 0.000 0.266 251 K C 0.922 177.354 176.600 -0.281 0.000 1.043 251 K CA 0.806 56.735 56.287 -0.597 0.000 0.758 251 K CB -1.702 30.338 32.500 -0.766 0.000 1.260 251 K HN 1.423 nan 8.250 nan 0.000 0.481 252 G N -0.502 108.191 108.800 -0.178 0.000 2.189 252 G HA2 -0.335 3.627 3.960 0.003 0.000 0.267 252 G HA3 -0.335 3.627 3.960 0.003 0.000 0.267 252 G C -0.101 174.760 174.900 -0.066 0.000 0.975 252 G CA 0.782 45.821 45.100 -0.101 0.000 0.644 252 G HN 0.344 nan 8.290 nan 0.000 0.537 253 Q N 0.509 120.275 119.800 -0.057 0.000 2.274 253 Q HA 0.471 4.813 4.340 0.003 0.000 0.260 253 Q C -2.527 173.489 176.000 0.026 0.000 0.974 253 Q CA -2.104 53.687 55.803 -0.020 0.000 0.876 253 Q CB 2.453 31.177 28.738 -0.023 0.000 1.297 253 Q HN 0.328 nan 8.270 nan 0.000 0.446 254 P HA 0.094 nan 4.420 nan 0.000 0.281 254 P C -0.472 176.845 177.300 0.028 0.000 1.252 254 P CA -0.171 62.946 63.100 0.028 0.000 0.778 254 P CB 0.838 32.540 31.700 0.003 0.000 0.895 255 S N 3.293 119.035 115.700 0.069 0.000 2.561 255 S HA -0.029 4.443 4.470 0.003 0.000 0.294 255 S C 0.513 175.097 174.600 -0.026 0.000 1.294 255 S CA 0.299 58.519 58.200 0.034 0.000 1.055 255 S CB -0.178 63.096 63.200 0.124 0.000 0.819 255 S HN 0.348 nan 8.310 nan 0.000 0.503 256 K N 3.259 123.600 120.400 -0.099 0.000 2.679 256 K HA 0.266 4.587 4.320 0.003 0.000 0.188 256 K C -2.611 173.928 176.600 -0.101 0.000 1.055 256 K CA -1.569 54.662 56.287 -0.093 0.000 1.006 256 K CB 1.172 33.602 32.500 -0.117 0.000 1.317 256 K HN 0.413 nan 8.250 nan 0.000 0.584 257 P HA 0.062 nan 4.420 nan 0.000 0.274 257 P C -0.594 176.853 177.300 0.245 0.000 1.237 257 P CA -0.357 62.804 63.100 0.103 0.000 0.793 257 P CB 0.615 32.326 31.700 0.018 0.000 0.977 258 F N 0.875 121.085 119.950 0.434 0.000 2.444 258 F HA 0.095 4.624 4.527 0.003 0.000 0.360 258 F C 0.610 176.634 175.800 0.374 0.000 1.106 258 F CA -0.373 57.871 58.000 0.406 0.000 1.170 258 F CB 0.272 39.556 39.000 0.472 0.000 1.113 258 F HN -0.031 nan 8.300 nan 0.000 0.521 259 V N 4.384 124.617 119.914 0.531 0.000 2.555 259 V HA 0.483 4.605 4.120 0.003 0.000 0.286 259 V C 0.683 177.043 176.094 0.444 0.000 1.044 259 V CA -0.376 62.162 62.300 0.397 0.000 1.026 259 V CB 0.730 32.715 31.823 0.269 0.000 0.981 259 V HN 0.856 nan 8.190 nan 0.000 0.480 260 G N 3.153 112.187 108.800 0.390 0.000 2.432 260 G HA2 0.625 4.587 3.960 0.003 0.000 0.331 260 G HA3 0.625 4.587 3.960 0.003 0.000 0.331 260 G C -1.244 173.845 174.900 0.315 0.000 1.170 260 G CA -0.524 44.791 45.100 0.358 0.000 0.943 260 G HN 0.566 nan 8.290 nan 0.000 0.483 261 V N 2.342 122.511 119.914 0.425 0.000 2.380 261 V HA 0.216 4.338 4.120 0.003 0.000 0.286 261 V C -0.128 176.035 176.094 0.114 0.000 1.015 261 V CA -0.751 61.645 62.300 0.161 0.000 0.834 261 V CB 1.188 32.941 31.823 -0.118 0.000 1.009 261 V HN 0.720 nan 8.190 nan 0.000 0.428 262 L N 5.449 126.699 121.223 0.044 0.000 2.615 262 L HA 0.283 4.625 4.340 0.003 0.000 0.271 262 L C 0.406 177.247 176.870 -0.049 0.000 1.183 262 L CA 1.328 56.182 54.840 0.024 0.000 0.933 262 L CB 0.277 42.380 42.059 0.074 0.000 1.199 262 L HN 0.712 nan 8.230 nan 0.000 0.487 263 S N 3.660 119.288 115.700 -0.121 0.000 2.568 263 S HA 0.884 5.355 4.470 0.003 0.000 0.302 263 S C -0.502 173.788 174.600 -0.518 0.000 1.082 263 S CA -0.395 57.562 58.200 -0.406 0.000 1.009 263 S CB 1.812 64.560 63.200 -0.752 0.000 1.069 263 S HN 0.894 nan 8.310 nan 0.000 0.500 264 A N 1.487 123.953 122.820 -0.589 0.000 2.273 264 A HA 0.780 5.102 4.320 0.003 0.000 0.315 264 A C 0.321 177.789 177.584 -0.194 0.000 1.256 264 A CA -0.564 51.057 52.037 -0.694 0.000 0.851 264 A CB 0.398 18.855 19.000 -0.905 0.000 1.172 264 A HN 0.881 nan 8.150 nan 0.000 0.508 265 G N 0.653 109.498 108.800 0.074 0.000 2.552 265 G HA2 0.643 4.605 3.960 0.003 0.000 0.324 265 G HA3 0.643 4.605 3.960 0.003 0.000 0.324 265 G C -0.732 174.259 174.900 0.152 0.000 1.217 265 G CA -0.681 44.565 45.100 0.244 0.000 0.989 265 G HN 0.670 nan 8.290 nan 0.000 0.490 266 I N 1.050 121.730 120.570 0.183 0.000 2.447 266 I HA 0.162 4.333 4.170 0.003 0.000 0.287 266 I C -0.410 175.798 176.117 0.153 0.000 1.023 266 I CA -0.916 60.462 61.300 0.131 0.000 1.083 266 I CB 1.912 39.984 38.000 0.120 0.000 1.245 266 I HN 0.328 nan 8.210 nan 0.000 0.434 267 N N 4.355 123.133 118.700 0.131 0.000 2.411 267 N HA -0.003 4.739 4.740 0.003 0.000 0.265 267 N C 1.007 176.551 175.510 0.057 0.000 1.266 267 N CA 0.347 53.467 53.050 0.115 0.000 0.889 267 N CB 1.481 39.978 38.487 0.016 0.000 1.069 267 N HN 0.818 nan 8.380 nan 0.000 0.476 268 A N 3.631 126.488 122.820 0.061 0.000 2.131 268 A HA -0.073 4.248 4.320 0.003 0.000 0.220 268 A C 1.410 178.998 177.584 0.005 0.000 1.158 268 A CA 1.748 53.811 52.037 0.044 0.000 0.665 268 A CB -0.122 18.907 19.000 0.048 0.000 0.795 268 A HN 0.703 nan 8.150 nan 0.000 0.460 269 A N -0.733 122.071 122.820 -0.027 0.000 2.630 269 A HA 0.519 4.840 4.320 0.003 0.000 0.290 269 A C 0.647 178.201 177.584 -0.049 0.000 1.267 269 A CA 0.360 52.370 52.037 -0.045 0.000 0.950 269 A CB -0.317 18.638 19.000 -0.076 0.000 1.144 269 A HN 0.293 nan 8.150 nan 0.000 0.527 270 S N 1.636 117.317 115.700 -0.032 0.000 2.438 270 S HA 0.455 4.927 4.470 0.003 0.000 0.293 270 S C -1.814 172.772 174.600 -0.023 0.000 1.141 270 S CA -1.418 56.760 58.200 -0.038 0.000 1.080 270 S CB 0.952 64.132 63.200 -0.033 0.000 0.978 270 S HN 0.310 nan 8.310 nan 0.000 0.479 271 P HA 0.145 nan 4.420 nan 0.000 0.256 271 P C -0.421 176.874 177.300 -0.008 0.000 1.335 271 P CA 0.156 63.247 63.100 -0.015 0.000 0.808 271 P CB -0.129 31.559 31.700 -0.020 0.000 1.305 272 N N -0.000 118.693 118.700 -0.012 0.000 2.377 272 N HA 0.104 4.846 4.740 0.003 0.000 0.259 272 N C 1.026 176.537 175.510 0.001 0.000 1.332 272 N CA -0.326 52.722 53.050 -0.003 0.000 0.877 272 N CB 0.491 38.964 38.487 -0.023 0.000 1.299 272 N HN 0.124 nan 8.380 nan 0.000 0.501 273 K N 1.008 121.415 120.400 0.011 0.000 2.089 273 K HA -0.154 4.168 4.320 0.003 0.000 0.210 273 K C 1.244 177.865 176.600 0.035 0.000 1.048 273 K CA 1.241 57.544 56.287 0.026 0.000 0.926 273 K CB 0.217 32.740 32.500 0.039 0.000 0.714 273 K HN 0.138 nan 8.250 nan 0.000 0.448 274 E N 0.586 120.812 120.200 0.043 0.000 2.216 274 E HA -0.066 4.286 4.350 0.003 0.000 0.192 274 E C 2.018 178.669 176.600 0.086 0.000 0.988 274 E CA 0.664 57.100 56.400 0.061 0.000 0.834 274 E CB 0.062 29.799 29.700 0.061 0.000 0.772 274 E HN 0.348 nan 8.360 nan 0.000 0.479 275 L N 0.034 121.309 121.223 0.086 0.000 2.179 275 L HA -0.023 4.318 4.340 0.003 0.000 0.208 275 L C 2.462 179.294 176.870 -0.062 0.000 1.096 275 L CA 0.814 55.753 54.840 0.164 0.000 0.779 275 L CB -0.441 41.720 42.059 0.170 0.000 0.922 275 L HN 0.017 nan 8.230 nan 0.000 0.443 276 A N 0.699 123.463 122.820 -0.095 0.000 1.872 276 A HA -0.175 4.146 4.320 0.003 0.000 0.214 276 A C 2.319 179.837 177.584 -0.111 0.000 1.187 276 A CA 1.371 53.326 52.037 -0.137 0.000 0.614 276 A CB -0.276 18.677 19.000 -0.078 0.000 0.826 276 A HN 0.274 nan 8.150 nan 0.000 0.442 277 K N -0.329 120.028 120.400 -0.071 0.000 2.044 277 K HA -0.230 4.092 4.320 0.003 0.000 0.210 277 K C 2.113 178.674 176.600 -0.065 0.000 1.049 277 K CA 1.733 57.961 56.287 -0.098 0.000 0.927 277 K CB -0.198 32.319 32.500 0.029 0.000 0.713 277 K HN 0.687 nan 8.250 nan 0.000 0.443 278 E N 0.266 120.515 120.200 0.080 0.000 2.077 278 E HA -0.198 4.153 4.350 0.003 0.000 0.193 278 E C 1.890 178.706 176.600 0.361 0.000 0.989 278 E CA 0.847 57.397 56.400 0.250 0.000 0.800 278 E CB -0.073 29.899 29.700 0.453 0.000 0.746 278 E HN 0.249 nan 8.360 nan 0.000 0.452 279 F N 1.356 121.239 119.950 -0.111 0.000 2.102 279 F HA -0.175 4.353 4.527 0.003 0.000 0.298 279 F C 1.795 177.581 175.800 -0.022 0.000 1.105 279 F CA 1.424 59.226 58.000 -0.329 0.000 1.239 279 F CB -0.265 38.154 39.000 -0.969 0.000 0.991 279 F HN -0.014 nan 8.300 nan 0.000 0.474 280 L N -0.103 120.943 121.223 -0.294 0.000 2.023 280 L HA -0.148 4.194 4.340 0.003 0.000 0.205 280 L C 2.401 179.120 176.870 -0.253 0.000 1.073 280 L CA 1.683 56.280 54.840 -0.406 0.000 0.745 280 L CB -0.979 40.703 42.059 -0.628 0.000 0.900 280 L HN 0.098 nan 8.230 nan 0.000 0.435 281 E N 0.121 120.144 120.200 -0.296 0.000 2.150 281 E HA -0.147 4.205 4.350 0.003 0.000 0.193 281 E C 1.522 177.994 176.600 -0.214 0.000 0.985 281 E CA 0.964 57.100 56.400 -0.440 0.000 0.814 281 E CB 0.003 29.286 29.700 -0.695 0.000 0.752 281 E HN 0.516 nan 8.360 nan 0.000 0.466 282 N N -0.944 117.710 118.700 -0.077 0.000 2.397 282 N HA 0.018 4.759 4.740 0.003 0.000 0.190 282 N C 1.194 176.581 175.510 -0.204 0.000 1.099 282 N CA 0.515 53.499 53.050 -0.110 0.000 0.876 282 N CB 0.274 38.673 38.487 -0.146 0.000 1.143 282 N HN 0.166 nan 8.380 nan 0.000 0.468 283 Y N 0.620 120.854 120.300 -0.110 0.000 2.353 283 Y HA 0.172 4.723 4.550 0.003 0.000 0.294 283 Y C 2.069 177.826 175.900 -0.238 0.000 1.135 283 Y CA 0.050 58.071 58.100 -0.132 0.000 1.176 283 Y CB -0.447 37.968 38.460 -0.074 0.000 1.124 283 Y HN -0.101 nan 8.280 nan 0.000 0.537 284 L N 0.121 121.191 121.223 -0.255 0.000 2.013 284 L HA 0.082 4.423 4.340 0.003 0.000 0.204 284 L C 0.807 177.639 176.870 -0.063 0.000 1.081 284 L CA 1.442 56.152 54.840 -0.218 0.000 0.751 284 L CB -0.819 41.048 42.059 -0.319 0.000 0.901 284 L HN 0.088 nan 8.230 nan 0.000 0.440 285 L N 1.921 123.150 121.223 0.010 0.000 2.530 285 L HA 0.100 4.442 4.340 0.003 0.000 0.247 285 L C -0.302 176.624 176.870 0.094 0.000 1.416 285 L CA 0.162 55.068 54.840 0.110 0.000 1.202 285 L CB -1.832 40.422 42.059 0.325 0.000 1.415 285 L HN 0.516 nan 8.230 nan 0.000 0.443 286 T N -5.555 108.995 114.554 -0.007 0.000 2.843 286 T HA 0.229 4.580 4.350 0.003 0.000 0.302 286 T C 0.522 175.127 174.700 -0.158 0.000 1.232 286 T CA -0.920 61.155 62.100 -0.042 0.000 1.009 286 T CB 1.871 70.709 68.868 -0.051 0.000 1.254 286 T HN 0.038 nan 8.240 nan 0.000 0.504 287 D N 0.632 120.933 120.400 -0.164 0.000 2.178 287 D HA -0.017 4.624 4.640 0.003 0.000 0.201 287 D C 2.193 178.238 176.300 -0.426 0.000 0.980 287 D CA 1.896 55.699 54.000 -0.329 0.000 0.842 287 D CB -0.136 40.600 40.800 -0.107 0.000 0.948 287 D HN 0.896 nan 8.370 nan 0.000 0.472 288 E N 0.709 120.777 120.200 -0.221 0.000 2.190 288 E HA 0.102 4.454 4.350 0.003 0.000 0.191 288 E C 2.166 178.679 176.600 -0.145 0.000 0.978 288 E CA 0.960 57.267 56.400 -0.155 0.000 0.839 288 E CB -1.044 28.611 29.700 -0.074 0.000 0.787 288 E HN 0.310 nan 8.360 nan 0.000 0.473 289 G N 0.799 109.517 108.800 -0.136 0.000 2.464 289 G HA2 -0.135 3.826 3.960 0.003 0.000 0.214 289 G HA3 -0.135 3.826 3.960 0.003 0.000 0.214 289 G C 1.808 176.646 174.900 -0.103 0.000 1.218 289 G CA 0.965 46.014 45.100 -0.084 0.000 0.794 289 G HN 0.407 nan 8.290 nan 0.000 0.542 290 L N 0.457 121.579 121.223 -0.168 0.000 2.129 290 L HA -0.145 4.196 4.340 0.003 0.000 0.212 290 L C 2.752 179.586 176.870 -0.059 0.000 1.087 290 L CA 1.590 56.371 54.840 -0.098 0.000 0.757 290 L CB -0.323 41.688 42.059 -0.079 0.000 0.896 290 L HN 0.418 nan 8.230 nan 0.000 0.434 291 E N 0.292 120.335 120.200 -0.263 0.000 2.072 291 E HA -0.195 4.157 4.350 0.003 0.000 0.190 291 E C 2.266 178.892 176.600 0.045 0.000 0.982 291 E CA 0.924 57.310 56.400 -0.022 0.000 0.803 291 E CB 0.015 29.665 29.700 -0.084 0.000 0.755 291 E HN 0.442 nan 8.360 nan 0.000 0.453 292 A N 0.471 123.292 122.820 0.001 0.000 2.032 292 A HA -0.159 4.163 4.320 0.003 0.000 0.221 292 A C 2.225 179.837 177.584 0.047 0.000 1.165 292 A CA 1.549 53.605 52.037 0.032 0.000 0.645 292 A CB -0.345 18.675 19.000 0.033 0.000 0.807 292 A HN 0.236 nan 8.150 nan 0.000 0.453 293 V N -0.360 119.586 119.914 0.053 0.000 2.492 293 V HA -0.105 4.017 4.120 0.003 0.000 0.241 293 V C 2.226 178.373 176.094 0.088 0.000 1.041 293 V CA 1.693 64.028 62.300 0.059 0.000 1.057 293 V CB -0.900 30.960 31.823 0.063 0.000 0.711 293 V HN 0.667 nan 8.190 nan 0.000 0.468 294 N N 1.122 119.908 118.700 0.142 0.000 2.289 294 N HA -0.181 4.561 4.740 0.003 0.000 0.184 294 N C 1.741 177.343 175.510 0.154 0.000 1.016 294 N CA 1.802 54.962 53.050 0.182 0.000 0.872 294 N CB -0.202 38.465 38.487 0.299 0.000 0.973 294 N HN 0.470 nan 8.380 nan 0.000 0.433 295 K N 0.610 121.088 120.400 0.129 0.000 2.025 295 K HA -0.130 4.192 4.320 0.003 0.000 0.207 295 K C 1.891 178.539 176.600 0.080 0.000 1.049 295 K CA 1.684 58.034 56.287 0.106 0.000 0.933 295 K CB -1.306 31.245 32.500 0.085 0.000 0.714 295 K HN 0.422 nan 8.250 nan 0.000 0.438 296 D N 0.148 120.579 120.400 0.051 0.000 2.078 296 D HA -0.082 4.560 4.640 0.003 0.000 0.193 296 D C -0.122 176.190 176.300 0.019 0.000 0.990 296 D CA 1.206 55.211 54.000 0.009 0.000 0.827 296 D CB 0.150 40.928 40.800 -0.036 0.000 0.975 296 D HN 0.492 nan 8.370 nan 0.000 0.451 297 K N 0.068 120.492 120.400 0.039 0.000 2.581 297 K HA 0.367 4.689 4.320 0.003 0.000 0.249 297 K C -2.702 173.958 176.600 0.101 0.000 0.966 297 K CA -1.786 54.543 56.287 0.070 0.000 0.811 297 K CB 2.907 35.433 32.500 0.043 0.000 1.223 297 K HN -0.136 nan 8.250 nan 0.000 0.438 298 P HA -0.062 nan 4.420 nan 0.000 0.260 298 P C 0.095 177.423 177.300 0.046 0.000 1.172 298 P CA 0.392 63.543 63.100 0.085 0.000 0.760 298 P CB 0.503 32.228 31.700 0.042 0.000 0.773 299 L N 2.266 123.545 121.223 0.093 0.000 2.375 299 L HA 0.175 4.517 4.340 0.003 0.000 0.215 299 L C 1.660 178.576 176.870 0.077 0.000 1.108 299 L CA 1.137 56.045 54.840 0.113 0.000 0.830 299 L CB -0.652 41.495 42.059 0.148 0.000 0.959 299 L HN 0.745 nan 8.230 nan 0.000 0.457 300 G N 0.034 108.854 108.800 0.033 0.000 2.846 300 G HA2 -0.195 3.767 3.960 0.003 0.000 0.225 300 G HA3 -0.195 3.767 3.960 0.003 0.000 0.225 300 G C -0.198 174.756 174.900 0.089 0.000 1.285 300 G CA -0.215 44.901 45.100 0.026 0.000 1.055 300 G HN 0.350 nan 8.290 nan 0.000 0.579 301 A N 1.037 123.918 122.820 0.102 0.000 2.736 301 A HA 0.742 5.064 4.320 0.003 0.000 0.335 301 A C 0.801 178.470 177.584 0.141 0.000 1.446 301 A CA 0.563 52.670 52.037 0.117 0.000 1.028 301 A CB -0.263 18.810 19.000 0.123 0.000 1.154 301 A HN 2.256 nan 8.150 nan 0.000 0.507 302 V N 0.251 120.244 119.914 0.131 0.000 2.814 302 V HA 0.257 4.378 4.120 0.003 0.000 0.307 302 V C 1.345 177.522 176.094 0.138 0.000 1.089 302 V CA 0.571 62.955 62.300 0.140 0.000 1.212 302 V CB -0.133 31.813 31.823 0.206 0.000 0.912 302 V HN 1.004 nan 8.190 nan 0.000 0.497 303 A N 4.019 126.855 122.820 0.027 0.000 1.969 303 A HA 0.079 4.401 4.320 0.003 0.000 0.218 303 A C 1.230 178.721 177.584 -0.156 0.000 1.169 303 A CA 0.833 52.819 52.037 -0.086 0.000 0.635 303 A CB -0.450 18.361 19.000 -0.314 0.000 0.810 303 A HN 1.042 nan 8.150 nan 0.000 0.445 304 L N 1.019 122.175 121.223 -0.111 0.000 2.477 304 L HA 0.081 4.422 4.340 0.003 0.000 0.272 304 L C 1.164 177.939 176.870 -0.158 0.000 1.157 304 L CA 0.388 55.137 54.840 -0.152 0.000 0.889 304 L CB 0.184 42.226 42.059 -0.029 0.000 1.158 304 L HN 0.309 nan 8.230 nan 0.000 0.473 305 K N 1.894 122.062 120.400 -0.387 0.000 2.020 305 K HA -0.212 4.110 4.320 0.003 0.000 0.212 305 K C 2.037 178.601 176.600 -0.060 0.000 1.050 305 K CA 1.913 57.967 56.287 -0.388 0.000 0.929 305 K CB -0.293 31.931 32.500 -0.460 0.000 0.714 305 K HN 0.924 nan 8.250 nan 0.000 0.443 306 S N 0.807 116.490 115.700 -0.029 0.000 2.368 306 S HA -0.282 4.190 4.470 0.003 0.000 0.226 306 S C 2.119 176.809 174.600 0.149 0.000 1.044 306 S CA 1.575 59.807 58.200 0.054 0.000 1.062 306 S CB -0.901 62.327 63.200 0.047 0.000 0.931 306 S HN 0.339 nan 8.310 nan 0.000 0.440 307 Y N 2.577 122.882 120.300 0.007 0.000 2.220 307 Y HA 0.047 4.599 4.550 0.003 0.000 0.291 307 Y C 2.750 178.688 175.900 0.064 0.000 1.129 307 Y CA 1.293 59.414 58.100 0.035 0.000 1.161 307 Y CB -0.682 37.799 38.460 0.034 0.000 0.997 307 Y HN 0.317 nan 8.280 nan 0.000 0.522 308 E N 0.894 121.157 120.200 0.104 0.000 2.033 308 E HA -0.308 4.043 4.350 0.003 0.000 0.199 308 E C 2.120 178.752 176.600 0.054 0.000 1.011 308 E CA 1.787 58.236 56.400 0.081 0.000 0.815 308 E CB -0.392 29.475 29.700 0.277 0.000 0.755 308 E HN 0.676 nan 8.360 nan 0.000 0.451 309 E N -0.283 119.979 120.200 0.104 0.000 2.219 309 E HA -0.211 4.140 4.350 0.003 0.000 0.198 309 E C 1.737 178.356 176.600 0.033 0.000 0.998 309 E CA 1.180 57.630 56.400 0.082 0.000 0.818 309 E CB 0.151 29.906 29.700 0.092 0.000 0.741 309 E HN 0.199 nan 8.360 nan 0.000 0.477 310 E N -0.128 120.077 120.200 0.008 0.000 2.170 310 E HA -0.041 4.310 4.350 0.003 0.000 0.191 310 E C 1.976 178.532 176.600 -0.074 0.000 0.981 310 E CA 0.440 56.834 56.400 -0.010 0.000 0.830 310 E CB 0.116 29.842 29.700 0.042 0.000 0.775 310 E HN 0.383 nan 8.360 nan 0.000 0.470 311 L N 0.358 121.482 121.223 -0.165 0.000 2.592 311 L HA 0.190 4.531 4.340 0.003 0.000 0.227 311 L C 1.989 178.818 176.870 -0.068 0.000 1.127 311 L CA 0.100 54.843 54.840 -0.163 0.000 0.884 311 L CB -0.170 41.708 42.059 -0.300 0.000 1.065 311 L HN -0.039 nan 8.230 nan 0.000 0.457 312 A N 0.759 123.556 122.820 -0.038 0.000 2.216 312 A HA -0.133 4.189 4.320 0.003 0.000 0.214 312 A C 2.522 180.096 177.584 -0.017 0.000 1.160 312 A CA 1.695 53.726 52.037 -0.011 0.000 0.725 312 A CB -0.458 18.546 19.000 0.008 0.000 0.784 312 A HN 0.389 nan 8.150 nan 0.000 0.472 313 K N 0.218 120.603 120.400 -0.026 0.000 2.044 313 K HA -0.040 4.282 4.320 0.003 0.000 0.204 313 K C 0.780 177.354 176.600 -0.044 0.000 1.049 313 K CA 0.988 57.257 56.287 -0.029 0.000 0.945 313 K CB -0.816 31.669 32.500 -0.026 0.000 0.724 313 K HN 0.544 nan 8.250 nan 0.000 0.440 314 D N 0.446 120.816 120.400 -0.050 0.000 2.451 314 D HA 0.054 4.696 4.640 0.003 0.000 0.254 314 D C -1.761 174.480 176.300 -0.097 0.000 1.204 314 D CA -1.719 52.233 54.000 -0.080 0.000 0.896 314 D CB 1.320 42.077 40.800 -0.071 0.000 1.136 314 D HN 0.073 nan 8.370 nan 0.000 0.499 315 P HA -0.190 nan 4.420 nan 0.000 0.216 315 P C 1.045 178.252 177.300 -0.155 0.000 1.150 315 P CA 1.317 64.340 63.100 -0.128 0.000 0.843 315 P CB 0.143 31.754 31.700 -0.148 0.000 0.787 316 R N -0.900 119.425 120.500 -0.291 0.000 2.139 316 R HA -0.121 4.220 4.340 0.003 0.000 0.243 316 R C 1.985 178.267 176.300 -0.030 0.000 1.145 316 R CA 1.161 56.999 56.100 -0.438 0.000 0.976 316 R CB -0.823 28.715 30.300 -1.268 0.000 0.866 316 R HN 0.238 nan 8.270 nan 0.000 0.449 317 I N 0.368 120.965 120.570 0.046 0.000 2.406 317 I HA -0.087 4.085 4.170 0.003 0.000 0.249 317 I C 2.499 178.662 176.117 0.077 0.000 1.122 317 I CA 0.910 62.306 61.300 0.160 0.000 1.431 317 I CB -1.424 36.640 38.000 0.106 0.000 1.087 317 I HN 0.098 nan 8.210 nan 0.000 0.424 318 A N 1.328 124.157 122.820 0.016 0.000 1.908 318 A HA -0.131 4.190 4.320 0.003 0.000 0.218 318 A C 2.599 180.187 177.584 0.007 0.000 1.181 318 A CA 2.109 54.144 52.037 -0.002 0.000 0.627 318 A CB -0.758 18.226 19.000 -0.026 0.000 0.818 318 A HN 0.398 nan 8.150 nan 0.000 0.445 319 A N -1.028 121.799 122.820 0.013 0.000 1.877 319 A HA -0.083 4.239 4.320 0.003 0.000 0.216 319 A C 2.301 179.918 177.584 0.055 0.000 1.186 319 A CA 2.295 54.347 52.037 0.024 0.000 0.620 319 A CB -1.369 17.646 19.000 0.026 0.000 0.822 319 A HN 0.434 nan 8.150 nan 0.000 0.443 320 T N 0.308 114.928 114.554 0.109 0.000 2.699 320 T HA -0.190 4.162 4.350 0.003 0.000 0.268 320 T C 1.971 176.704 174.700 0.055 0.000 1.036 320 T CA 1.751 63.917 62.100 0.109 0.000 1.147 320 T CB -0.293 68.673 68.868 0.163 0.000 0.862 320 T HN 0.333 nan 8.240 nan 0.000 0.446 321 M N 0.818 120.440 119.600 0.038 0.000 2.099 321 M HA -0.056 4.426 4.480 0.003 0.000 0.262 321 M C 2.442 178.733 176.300 -0.015 0.000 1.067 321 M CA 1.473 56.773 55.300 -0.001 0.000 1.124 321 M CB -0.979 31.610 32.600 -0.018 0.000 1.353 321 M HN 0.365 nan 8.290 nan 0.000 0.410 322 E N 0.804 120.998 120.200 -0.009 0.000 2.085 322 E HA -0.211 4.141 4.350 0.003 0.000 0.194 322 E C 1.676 178.269 176.600 -0.011 0.000 0.994 322 E CA 1.437 57.827 56.400 -0.017 0.000 0.801 322 E CB 0.058 29.749 29.700 -0.016 0.000 0.743 322 E HN 0.416 nan 8.360 nan 0.000 0.453 323 N N -0.057 118.644 118.700 0.001 0.000 2.396 323 N HA -0.073 4.669 4.740 0.003 0.000 0.180 323 N C 1.476 176.996 175.510 0.015 0.000 1.028 323 N CA 0.992 54.045 53.050 0.006 0.000 0.893 323 N CB -0.067 38.425 38.487 0.008 0.000 0.967 323 N HN 0.279 nan 8.380 nan 0.000 0.440 324 A N 1.176 124.005 122.820 0.014 0.000 1.897 324 A HA -0.124 4.198 4.320 0.003 0.000 0.215 324 A C 2.170 179.747 177.584 -0.010 0.000 1.181 324 A CA 1.012 53.060 52.037 0.018 0.000 0.620 324 A CB -0.353 18.648 19.000 0.002 0.000 0.821 324 A HN 0.281 nan 8.150 nan 0.000 0.443 325 Q N -0.244 119.535 119.800 -0.035 0.000 2.046 325 Q HA -0.106 4.236 4.340 0.003 0.000 0.200 325 Q C 1.793 177.778 176.000 -0.025 0.000 0.975 325 Q CA 1.267 57.041 55.803 -0.049 0.000 0.836 325 Q CB -0.162 28.542 28.738 -0.057 0.000 0.896 325 Q HN 0.368 nan 8.270 nan 0.000 0.428 326 K N 0.467 120.858 120.400 -0.016 0.000 2.280 326 K HA -0.029 4.293 4.320 0.003 0.000 0.202 326 K C 1.116 177.714 176.600 -0.004 0.000 1.047 326 K CA 0.914 57.195 56.287 -0.011 0.000 0.942 326 K CB -0.459 32.035 32.500 -0.009 0.000 0.739 326 K HN 0.232 nan 8.250 nan 0.000 0.457 327 G N 0.523 109.331 108.800 0.013 0.000 2.641 327 G HA2 0.272 4.234 3.960 0.003 0.000 0.239 327 G HA3 0.272 4.234 3.960 0.003 0.000 0.239 327 G C -1.051 173.887 174.900 0.063 0.000 1.402 327 G CA -0.337 44.786 45.100 0.038 0.000 1.046 327 G HN 0.113 nan 8.290 nan 0.000 0.565 328 E N -1.205 119.077 120.200 0.137 0.000 2.308 328 E HA 0.359 4.711 4.350 0.003 0.000 0.275 328 E C -0.746 176.069 176.600 0.358 0.000 0.890 328 E CA -0.723 55.794 56.400 0.195 0.000 0.754 328 E CB 2.039 31.848 29.700 0.182 0.000 1.207 328 E HN 0.316 nan 8.360 nan 0.000 0.426 329 I N 4.609 125.338 120.570 0.265 0.000 2.598 329 I HA 0.030 4.202 4.170 0.003 0.000 0.284 329 I C 0.789 177.111 176.117 0.341 0.000 1.140 329 I CA 0.325 61.804 61.300 0.298 0.000 1.420 329 I CB 0.423 38.531 38.000 0.179 0.000 1.387 329 I HN 0.511 nan 8.210 nan 0.000 0.553 330 M N 7.930 127.720 119.600 0.316 0.000 2.249 330 M HA 0.176 4.657 4.480 0.003 0.000 0.340 330 M C -2.219 174.066 176.300 -0.025 0.000 1.166 330 M CA -1.224 53.981 55.300 -0.158 0.000 1.115 330 M CB -0.229 32.138 32.600 -0.389 0.000 1.606 330 M HN 0.217 nan 8.290 nan 0.000 0.448 331 P HA 0.124 nan 4.420 nan 0.000 0.276 331 P C -0.583 176.644 177.300 -0.121 0.000 1.244 331 P CA -0.247 62.730 63.100 -0.205 0.000 0.801 331 P CB 0.452 31.666 31.700 -0.810 0.000 1.006 332 N N 0.755 119.481 118.700 0.043 0.000 2.214 332 N HA 0.075 4.817 4.740 0.003 0.000 0.214 332 N C 0.364 175.793 175.510 -0.135 0.000 1.132 332 N CA -0.294 52.753 53.050 -0.005 0.000 0.856 332 N CB -0.730 37.837 38.487 0.132 0.000 1.020 332 N HN 0.339 nan 8.380 nan 0.000 0.509 333 I N -3.099 117.407 120.570 -0.106 0.000 2.754 333 I HA 0.287 4.458 4.170 0.003 0.000 0.285 333 I C -1.553 174.438 176.117 -0.210 0.000 1.166 333 I CA -1.673 59.538 61.300 -0.147 0.000 1.417 333 I CB 0.612 38.572 38.000 -0.067 0.000 1.382 333 I HN -0.254 nan 8.210 nan 0.000 0.588 334 P HA -0.191 nan 4.420 nan 0.000 0.217 334 P C 1.269 178.514 177.300 -0.091 0.000 1.148 334 P CA 1.266 64.267 63.100 -0.165 0.000 0.834 334 P CB -0.036 31.596 31.700 -0.112 0.000 0.783 335 Q N -1.500 118.233 119.800 -0.113 0.000 2.234 335 Q HA -0.138 4.204 4.340 0.003 0.000 0.206 335 Q C 1.972 178.062 176.000 0.151 0.000 0.980 335 Q CA 1.181 56.959 55.803 -0.040 0.000 0.869 335 Q CB -0.749 27.763 28.738 -0.377 0.000 0.912 335 Q HN 0.313 nan 8.270 nan 0.000 0.436 336 M N 0.427 120.071 119.600 0.073 0.000 2.192 336 M HA -0.179 4.303 4.480 0.003 0.000 0.259 336 M C 2.215 178.609 176.300 0.157 0.000 1.071 336 M CA 1.874 57.190 55.300 0.027 0.000 1.082 336 M CB -1.479 31.046 32.600 -0.125 0.000 1.373 336 M HN 0.240 nan 8.290 nan 0.000 0.408 337 S N 0.216 116.017 115.700 0.169 0.000 2.382 337 S HA -0.054 4.417 4.470 0.003 0.000 0.228 337 S C 2.099 176.885 174.600 0.311 0.000 1.027 337 S CA 1.235 59.586 58.200 0.251 0.000 0.991 337 S CB -0.653 62.650 63.200 0.172 0.000 0.823 337 S HN 0.482 nan 8.310 nan 0.000 0.469 338 A N 1.307 124.303 122.820 0.295 0.000 1.874 338 A HA 0.188 4.510 4.320 0.003 0.000 0.214 338 A C 1.896 179.599 177.584 0.199 0.000 1.189 338 A CA 1.042 53.249 52.037 0.283 0.000 0.615 338 A CB -1.079 18.103 19.000 0.303 0.000 0.830 338 A HN 0.514 nan 8.150 nan 0.000 0.443 339 F N -0.431 119.552 119.950 0.055 0.000 2.025 339 F HA -0.270 4.258 4.527 0.003 0.000 0.297 339 F C 2.138 177.853 175.800 -0.141 0.000 1.132 339 F CA 2.120 60.020 58.000 -0.167 0.000 1.191 339 F CB -0.761 37.948 39.000 -0.485 0.000 0.963 339 F HN 0.415 nan 8.300 nan 0.000 0.481 340 W N -1.245 120.018 121.300 -0.061 0.000 2.321 340 W HA -0.306 4.356 4.660 0.003 0.000 0.306 340 W C 2.521 178.919 176.519 -0.201 0.000 1.217 340 W CA 1.216 58.464 57.345 -0.160 0.000 1.257 340 W CB -0.833 28.651 29.460 0.041 0.000 1.145 340 W HN 0.265 nan 8.180 nan 0.000 0.509 341 Y N 0.949 121.210 120.300 -0.065 0.000 2.114 341 Y HA -0.230 4.322 4.550 0.003 0.000 0.284 341 Y C 2.336 178.097 175.900 -0.232 0.000 1.143 341 Y CA 2.104 60.034 58.100 -0.284 0.000 1.135 341 Y CB -1.104 36.868 38.460 -0.815 0.000 0.980 341 Y HN -0.099 nan 8.280 nan 0.000 0.499 342 A N -0.389 122.259 122.820 -0.288 0.000 1.892 342 A HA -0.209 4.113 4.320 0.003 0.000 0.218 342 A C 2.304 179.692 177.584 -0.327 0.000 1.188 342 A CA 2.482 54.332 52.037 -0.310 0.000 0.631 342 A CB -1.421 17.484 19.000 -0.159 0.000 0.822 342 A HN 0.361 nan 8.150 nan 0.000 0.447 343 V N -0.258 119.432 119.914 -0.373 0.000 2.626 343 V HA -0.197 3.925 4.120 0.003 0.000 0.252 343 V C 2.545 178.569 176.094 -0.117 0.000 1.067 343 V CA 2.064 64.207 62.300 -0.263 0.000 1.081 343 V CB -0.882 30.694 31.823 -0.413 0.000 0.686 343 V HN 0.646 nan 8.190 nan 0.000 0.468 344 R N 0.276 120.690 120.500 -0.143 0.000 2.061 344 R HA -0.147 4.195 4.340 0.003 0.000 0.230 344 R C 2.445 178.648 176.300 -0.161 0.000 1.140 344 R CA 2.107 58.151 56.100 -0.094 0.000 0.940 344 R CB -0.585 29.659 30.300 -0.093 0.000 0.839 344 R HN 0.467 nan 8.270 nan 0.000 0.429 345 T N 0.935 115.290 114.554 -0.331 0.000 2.759 345 T HA -0.160 4.192 4.350 0.003 0.000 0.269 345 T C 1.788 176.388 174.700 -0.166 0.000 1.042 345 T CA 1.352 63.279 62.100 -0.288 0.000 1.140 345 T CB -0.351 68.250 68.868 -0.445 0.000 0.864 345 T HN 0.482 nan 8.240 nan 0.000 0.455 346 A N 1.037 123.763 122.820 -0.157 0.000 1.865 346 A HA -0.090 4.232 4.320 0.003 0.000 0.217 346 A C 2.606 180.155 177.584 -0.059 0.000 1.191 346 A CA 1.686 53.666 52.037 -0.094 0.000 0.623 346 A CB -1.101 17.849 19.000 -0.084 0.000 0.826 346 A HN 0.361 nan 8.150 nan 0.000 0.444 347 V N 0.281 120.171 119.914 -0.039 0.000 2.295 347 V HA -0.281 3.841 4.120 0.003 0.000 0.246 347 V C 2.440 178.517 176.094 -0.027 0.000 1.049 347 V CA 2.074 64.367 62.300 -0.012 0.000 1.024 347 V CB -0.767 31.076 31.823 0.034 0.000 0.648 347 V HN 0.563 nan 8.190 nan 0.000 0.447 348 I N 0.468 121.017 120.570 -0.036 0.000 2.072 348 I HA -0.253 3.919 4.170 0.003 0.000 0.235 348 I C 2.361 178.454 176.117 -0.041 0.000 1.058 348 I CA 1.988 63.267 61.300 -0.036 0.000 1.320 348 I CB -0.732 37.245 38.000 -0.038 0.000 1.047 348 I HN 0.314 nan 8.210 nan 0.000 0.397 349 N N 0.985 119.655 118.700 -0.050 0.000 2.184 349 N HA -0.191 4.551 4.740 0.003 0.000 0.190 349 N C 1.602 177.086 175.510 -0.043 0.000 1.011 349 N CA 1.679 54.701 53.050 -0.047 0.000 0.867 349 N CB -0.349 38.106 38.487 -0.054 0.000 0.993 349 N HN 0.451 nan 8.380 nan 0.000 0.433 350 A N -0.241 122.553 122.820 -0.043 0.000 1.984 350 A HA 0.374 4.696 4.320 0.003 0.000 0.214 350 A C 2.193 179.753 177.584 -0.040 0.000 1.173 350 A CA 1.106 53.119 52.037 -0.040 0.000 0.673 350 A CB -0.470 18.507 19.000 -0.038 0.000 0.830 350 A HN 0.275 nan 8.150 nan 0.000 0.453 351 A N 0.551 123.347 122.820 -0.041 0.000 1.854 351 A HA -0.036 4.286 4.320 0.003 0.000 0.214 351 A C 2.540 180.098 177.584 -0.043 0.000 1.192 351 A CA 2.161 54.170 52.037 -0.046 0.000 0.611 351 A CB -0.985 17.986 19.000 -0.047 0.000 0.832 351 A HN 0.871 nan 8.150 nan 0.000 0.442 352 S N -1.715 113.962 115.700 -0.038 0.000 2.355 352 S HA 0.274 4.745 4.470 0.003 0.000 0.222 352 S C 1.596 176.177 174.600 -0.032 0.000 1.031 352 S CA 1.852 60.033 58.200 -0.033 0.000 0.993 352 S CB -0.440 62.743 63.200 -0.027 0.000 0.859 352 S HN 1.840 nan 8.310 nan 0.000 0.453 353 G N 0.552 109.332 108.800 -0.034 0.000 2.485 353 G HA2 -0.134 3.828 3.960 0.003 0.000 0.181 353 G HA3 -0.134 3.828 3.960 0.003 0.000 0.181 353 G C 0.901 175.780 174.900 -0.036 0.000 0.999 353 G CA 0.111 45.192 45.100 -0.033 0.000 0.721 353 G HN 0.369 nan 8.290 nan 0.000 0.486 354 R N 0.080 120.557 120.500 -0.038 0.000 2.154 354 R HA -0.050 4.292 4.340 0.003 0.000 0.248 354 R C 1.081 177.350 176.300 -0.052 0.000 1.155 354 R CA 1.700 57.773 56.100 -0.045 0.000 0.979 354 R CB -0.078 30.197 30.300 -0.042 0.000 0.869 354 R HN 0.559 nan 8.270 nan 0.000 0.452 355 Q N -1.433 118.339 119.800 -0.047 0.000 2.615 355 Q HA 0.243 4.584 4.340 0.003 0.000 0.298 355 Q C -0.867 175.109 176.000 -0.040 0.000 1.023 355 Q CA -0.706 55.069 55.803 -0.048 0.000 0.768 355 Q CB 2.325 31.033 28.738 -0.050 0.000 1.500 355 Q HN 0.044 nan 8.270 nan 0.000 0.441 356 T N -2.984 111.549 114.554 -0.036 0.000 2.944 356 T HA 0.318 4.669 4.350 0.003 0.000 0.284 356 T C 1.136 175.820 174.700 -0.028 0.000 1.010 356 T CA -0.699 61.384 62.100 -0.029 0.000 1.025 356 T CB 0.847 69.700 68.868 -0.025 0.000 1.079 356 T HN 0.298 nan 8.240 nan 0.000 0.516 357 V N 1.194 121.094 119.914 -0.023 0.000 2.546 357 V HA -0.163 3.959 4.120 0.003 0.000 0.254 357 V C 2.002 178.083 176.094 -0.021 0.000 1.076 357 V CA 2.221 64.508 62.300 -0.022 0.000 1.087 357 V CB -1.022 30.793 31.823 -0.013 0.000 0.674 357 V HN 0.880 nan 8.190 nan 0.000 0.470 358 D N -0.143 120.246 120.400 -0.018 0.000 2.216 358 D HA 0.103 4.745 4.640 0.003 0.000 0.208 358 D C 2.188 178.476 176.300 -0.019 0.000 0.960 358 D CA 1.146 55.136 54.000 -0.016 0.000 0.861 358 D CB -0.263 40.530 40.800 -0.012 0.000 0.985 358 D HN 0.406 nan 8.370 nan 0.000 0.493 359 A N 1.115 123.921 122.820 -0.024 0.000 1.855 359 A HA 0.050 4.372 4.320 0.003 0.000 0.215 359 A C 2.271 179.838 177.584 -0.028 0.000 1.191 359 A CA 1.887 53.908 52.037 -0.028 0.000 0.613 359 A CB -1.090 17.887 19.000 -0.037 0.000 0.829 359 A HN 0.202 nan 8.150 nan 0.000 0.442 360 A N -0.076 122.723 122.820 -0.034 0.000 1.884 360 A HA -0.175 4.146 4.320 0.003 0.000 0.219 360 A C 2.227 179.789 177.584 -0.037 0.000 1.197 360 A CA 1.847 53.861 52.037 -0.039 0.000 0.637 360 A CB -0.838 18.136 19.000 -0.044 0.000 0.827 360 A HN 0.494 nan 8.150 nan 0.000 0.450 361 L N -1.053 120.151 121.223 -0.031 0.000 2.017 361 L HA -0.189 4.153 4.340 0.003 0.000 0.208 361 L C 3.147 180.006 176.870 -0.018 0.000 1.073 361 L CA 1.123 55.947 54.840 -0.028 0.000 0.745 361 L CB -0.713 41.331 42.059 -0.026 0.000 0.894 361 L HN 0.451 nan 8.230 nan 0.000 0.432 362 A N 0.130 122.943 122.820 -0.012 0.000 1.948 362 A HA -0.238 4.083 4.320 0.003 0.000 0.220 362 A C 2.501 180.090 177.584 0.009 0.000 1.177 362 A CA 2.059 54.096 52.037 -0.001 0.000 0.636 362 A CB -0.715 18.284 19.000 -0.001 0.000 0.815 362 A HN 0.445 nan 8.150 nan 0.000 0.449 363 A N -0.412 122.410 122.820 0.004 0.000 1.897 363 A HA 0.261 4.583 4.320 0.003 0.000 0.215 363 A C 2.473 180.067 177.584 0.017 0.000 1.181 363 A CA 1.789 53.837 52.037 0.019 0.000 0.620 363 A CB -0.971 18.038 19.000 0.015 0.000 0.821 363 A HN 1.106 nan 8.150 nan 0.000 0.443 364 A N -0.916 121.895 122.820 -0.014 0.000 2.070 364 A HA -0.145 4.177 4.320 0.003 0.000 0.220 364 A C 2.062 179.641 177.584 -0.007 0.000 1.159 364 A CA 1.971 53.985 52.037 -0.039 0.000 0.656 364 A CB -0.414 18.535 19.000 -0.086 0.000 0.800 364 A HN 0.529 nan 8.150 nan 0.000 0.453 365 Q N -0.262 119.545 119.800 0.012 0.000 2.170 365 Q HA -0.096 4.246 4.340 0.003 0.000 0.203 365 Q C 1.785 177.828 176.000 0.072 0.000 0.976 365 Q CA 2.470 58.295 55.803 0.037 0.000 0.858 365 Q CB -0.650 28.105 28.738 0.029 0.000 0.907 365 Q HN 0.525 nan 8.270 nan 0.000 0.433 366 T N 0.290 114.885 114.554 0.068 0.000 2.976 366 T HA 0.065 4.417 4.350 0.003 0.000 0.257 366 T C 1.362 176.127 174.700 0.107 0.000 1.051 366 T CA 0.639 62.792 62.100 0.087 0.000 1.141 366 T CB -0.112 68.802 68.868 0.077 0.000 0.881 366 T HN 0.333 nan 8.240 nan 0.000 0.461 367 N N 1.760 120.520 118.700 0.099 0.000 2.223 367 N HA -0.015 4.726 4.740 0.003 0.000 0.185 367 N C 1.935 177.542 175.510 0.161 0.000 1.016 367 N CA 1.063 54.194 53.050 0.134 0.000 0.863 367 N CB -0.174 38.378 38.487 0.108 0.000 0.983 367 N HN 0.375 nan 8.380 nan 0.000 0.429 368 A N 0.308 123.211 122.820 0.138 0.000 2.119 368 A HA 0.223 4.544 4.320 0.003 0.000 0.216 368 A C 1.754 179.523 177.584 0.308 0.000 1.152 368 A CA 1.102 53.265 52.037 0.211 0.000 0.708 368 A CB -0.007 19.091 19.000 0.163 0.000 0.805 368 A HN 0.248 nan 8.150 nan 0.000 0.460 369 A N -1.026 121.931 122.820 0.229 0.000 2.545 369 A HA 0.716 5.037 4.320 0.003 0.000 0.277 369 A C 0.898 178.569 177.584 0.145 0.000 1.301 369 A CA 0.507 52.666 52.037 0.203 0.000 0.935 369 A CB -0.638 18.467 19.000 0.176 0.000 1.093 369 A HN 0.726 nan 8.150 nan 0.000 0.519 1019 P HA 0.129 nan 4.420 nan 0.000 0.262 1019 P C -0.096 177.073 177.300 -0.219 0.000 1.182 1019 P CA 0.062 63.161 63.100 -0.002 0.000 0.761 1019 P CB 0.757 32.465 31.700 0.015 0.000 0.795 1020 I N 1.702 121.908 120.570 -0.607 0.000 3.580 1020 I HA 0.231 4.402 4.170 0.003 0.000 0.296 1020 I C 0.675 176.303 176.117 -0.814 0.000 1.146 1020 I CA -0.656 60.273 61.300 -0.618 0.000 1.051 1020 I CB 0.644 38.306 38.000 -0.562 0.000 1.364 1020 I HN 0.350 nan 8.210 nan 0.000 0.482 1021 H N 1.541 120.309 119.070 -0.503 0.000 2.588 1021 H HA 0.181 4.739 4.556 0.003 0.000 0.223 1021 H C 0.268 175.411 175.328 -0.309 0.000 1.804 1021 H CA -0.102 55.758 56.048 -0.313 0.000 1.269 1021 H CB -0.054 29.606 29.762 -0.171 0.000 1.670 1021 H HN 0.410 nan 8.280 nan 0.000 0.539 1022 Y N 1.266 121.493 120.300 -0.123 0.000 1.997 1022 Y HA -0.402 4.150 4.550 0.003 0.000 0.265 1022 Y C 2.439 178.292 175.900 -0.078 0.000 1.193 1022 Y CA 2.093 60.061 58.100 -0.220 0.000 1.106 1022 Y CB -0.591 37.600 38.460 -0.448 0.000 0.940 1022 Y HN 0.442 nan 8.280 nan 0.000 0.494 1023 D N -0.426 120.053 120.400 0.132 0.000 2.190 1023 D HA -0.213 4.429 4.640 0.003 0.000 0.200 1023 D C 2.064 178.394 176.300 0.050 0.000 0.992 1023 D CA 1.629 55.683 54.000 0.090 0.000 0.854 1023 D CB -0.089 40.751 40.800 0.067 0.000 0.936 1023 D HN 0.174 nan 8.370 nan 0.000 0.462 1024 K N 0.237 120.658 120.400 0.036 0.000 2.007 1024 K HA 0.016 4.338 4.320 0.003 0.000 0.206 1024 K C 2.059 178.652 176.600 -0.010 0.000 1.047 1024 K CA 1.203 57.491 56.287 0.003 0.000 0.937 1024 K CB -0.495 31.999 32.500 -0.011 0.000 0.718 1024 K HN 0.238 nan 8.250 nan 0.000 0.438 1025 I N 0.607 121.165 120.570 -0.020 0.000 2.252 1025 I HA -0.258 3.914 4.170 0.003 0.000 0.245 1025 I C 1.868 177.992 176.117 0.012 0.000 1.102 1025 I CA 1.442 62.728 61.300 -0.023 0.000 1.385 1025 I CB -0.615 37.354 38.000 -0.051 0.000 1.064 1025 I HN 0.251 nan 8.210 nan 0.000 0.414 1026 T N 0.834 115.412 114.554 0.041 0.000 2.555 1026 T HA -0.275 4.076 4.350 0.003 0.000 0.264 1026 T C 2.236 176.965 174.700 0.049 0.000 1.083 1026 T CA 2.313 64.454 62.100 0.068 0.000 1.179 1026 T CB -0.757 68.176 68.868 0.107 0.000 0.863 1026 T HN 0.594 nan 8.240 nan 0.000 0.412 1027 E N 1.084 121.308 120.200 0.041 0.000 2.267 1027 E HA -0.201 4.151 4.350 0.003 0.000 0.197 1027 E C 1.792 178.404 176.600 0.020 0.000 0.998 1027 E CA 1.718 58.136 56.400 0.030 0.000 0.830 1027 E CB -0.784 28.929 29.700 0.022 0.000 0.751 1027 E HN 0.802 nan 8.360 nan 0.000 0.491 1028 E N -0.731 119.476 120.200 0.012 0.000 2.112 1028 E HA -0.023 4.328 4.350 0.003 0.000 0.190 1028 E C 2.117 178.724 176.600 0.012 0.000 0.979 1028 E CA 0.838 57.240 56.400 0.003 0.000 0.814 1028 E CB -0.084 29.609 29.700 -0.013 0.000 0.762 1028 E HN 0.630 nan 8.360 nan 0.000 0.460 1029 I N 1.173 121.754 120.570 0.018 0.000 2.480 1029 I HA -0.173 3.998 4.170 0.003 0.000 0.251 1029 I C 1.917 178.056 176.117 0.036 0.000 1.124 1029 I CA 0.314 61.629 61.300 0.025 0.000 1.444 1029 I CB -0.259 37.756 38.000 0.026 0.000 1.098 1029 I HN 0.115 nan 8.210 nan 0.000 0.428 1030 N N 1.382 120.106 118.700 0.040 0.000 2.166 1030 N HA -0.230 4.511 4.740 0.003 0.000 0.186 1030 N C 1.784 177.322 175.510 0.046 0.000 1.019 1030 N CA 1.223 54.301 53.050 0.046 0.000 0.856 1030 N CB -0.250 38.265 38.487 0.047 0.000 0.993 1030 N HN 0.386 nan 8.380 nan 0.000 0.426 1031 K N 0.975 121.397 120.400 0.037 0.000 2.211 1031 K HA 0.049 4.370 4.320 0.003 0.000 0.203 1031 K C 1.870 178.493 176.600 0.038 0.000 1.050 1031 K CA 0.863 57.170 56.287 0.034 0.000 0.945 1031 K CB 0.051 32.564 32.500 0.021 0.000 0.732 1031 K HN 0.070 nan 8.250 nan 0.000 0.451 1032 A N 0.359 123.202 122.820 0.040 0.000 1.929 1032 A HA -0.052 4.270 4.320 0.003 0.000 0.216 1032 A C 2.089 179.716 177.584 0.071 0.000 1.176 1032 A CA 1.247 53.311 52.037 0.045 0.000 0.628 1032 A CB -0.269 18.754 19.000 0.039 0.000 0.816 1032 A HN 0.155 nan 8.150 nan 0.000 0.444 1033 V N 0.302 120.266 119.914 0.084 0.000 2.535 1033 V HA -0.141 3.981 4.120 0.003 0.000 0.246 1033 V C 1.854 178.030 176.094 0.136 0.000 1.045 1033 V CA 1.782 64.159 62.300 0.130 0.000 1.058 1033 V CB -0.617 31.269 31.823 0.106 0.000 0.689 1033 V HN 0.478 nan 8.190 nan 0.000 0.461 1034 D N 0.151 120.608 120.400 0.095 0.000 2.263 1034 D HA -0.145 4.497 4.640 0.003 0.000 0.208 1034 D C 2.037 178.378 176.300 0.068 0.000 0.971 1034 D CA 1.110 55.161 54.000 0.085 0.000 0.867 1034 D CB 0.149 40.988 40.800 0.065 0.000 0.929 1034 D HN 0.599 nan 8.370 nan 0.000 0.492 1035 E N 0.330 120.565 120.200 0.058 0.000 2.216 1035 E HA 0.070 4.422 4.350 0.003 0.000 0.192 1035 E C 2.097 178.710 176.600 0.021 0.000 0.973 1035 E CA 0.280 56.701 56.400 0.034 0.000 0.851 1035 E CB 0.182 29.898 29.700 0.026 0.000 0.804 1035 E HN 0.100 nan 8.360 nan 0.000 0.477 1036 A N 1.259 124.108 122.820 0.047 0.000 1.898 1036 A HA -0.116 4.205 4.320 0.003 0.000 0.216 1036 A C 2.475 180.009 177.584 -0.083 0.000 1.181 1036 A CA 1.003 53.047 52.037 0.012 0.000 0.620 1036 A CB -0.623 18.458 19.000 0.134 0.000 0.819 1036 A HN 0.086 nan 8.150 nan 0.000 0.442 1037 V N -0.145 119.790 119.914 0.035 0.000 2.343 1037 V HA -0.227 3.895 4.120 0.003 0.000 0.247 1037 V C 3.032 179.098 176.094 -0.046 0.000 1.051 1037 V CA 1.907 64.206 62.300 -0.002 0.000 1.036 1037 V CB -1.140 30.787 31.823 0.173 0.000 0.654 1037 V HN 0.603 nan 8.190 nan 0.000 0.451 1038 A N -0.245 122.573 122.820 -0.003 0.000 1.969 1038 A HA -0.029 4.293 4.320 0.003 0.000 0.218 1038 A C 2.360 179.925 177.584 -0.031 0.000 1.169 1038 A CA 1.872 53.908 52.037 -0.002 0.000 0.635 1038 A CB -0.558 18.452 19.000 0.017 0.000 0.810 1038 A HN 0.554 nan 8.150 nan 0.000 0.445 1039 A N -0.109 122.678 122.820 -0.056 0.000 1.897 1039 A HA 0.053 4.374 4.320 0.003 0.000 0.215 1039 A C 2.024 179.545 177.584 -0.106 0.000 1.181 1039 A CA 1.274 53.271 52.037 -0.067 0.000 0.620 1039 A CB -0.478 18.482 19.000 -0.068 0.000 0.821 1039 A HN 0.464 nan 8.150 nan 0.000 0.443 1040 I N -0.408 120.040 120.570 -0.203 0.000 2.546 1040 I HA -0.147 4.025 4.170 0.003 0.000 0.255 1040 I C 2.449 178.470 176.117 -0.160 0.000 1.163 1040 I CA 1.205 62.327 61.300 -0.296 0.000 1.457 1040 I CB -0.137 37.473 38.000 -0.650 0.000 1.092 1040 I HN 0.388 nan 8.210 nan 0.000 0.434 1041 E N 2.091 122.231 120.200 -0.101 0.000 2.216 1041 E HA -0.185 4.167 4.350 0.003 0.000 0.192 1041 E C 2.303 178.906 176.600 0.005 0.000 0.988 1041 E CA 1.376 57.760 56.400 -0.026 0.000 0.834 1041 E CB 0.195 29.891 29.700 -0.007 0.000 0.772 1041 E HN 0.438 nan 8.360 nan 0.000 0.479 1042 K N 0.930 121.326 120.400 -0.006 0.000 2.097 1042 K HA -0.045 4.276 4.320 0.003 0.000 0.206 1042 K C 1.718 178.332 176.600 0.022 0.000 1.049 1042 K CA 1.425 57.716 56.287 0.008 0.000 0.933 1042 K CB -1.288 31.211 32.500 -0.001 0.000 0.717 1042 K HN 0.430 nan 8.250 nan 0.000 0.442 1043 S N -0.235 115.487 115.700 0.036 0.000 2.634 1043 S HA 0.467 4.939 4.470 0.003 0.000 0.254 1043 S C 1.275 175.918 174.600 0.072 0.000 1.299 1043 S CA 0.604 58.842 58.200 0.064 0.000 0.974 1043 S CB 0.154 63.426 63.200 0.121 0.000 1.001 1043 S HN 0.946 nan 8.310 nan 0.000 0.584 1044 E N -1.000 119.235 120.200 0.059 0.000 2.641 1044 E HA 0.288 4.639 4.350 0.003 0.000 0.224 1044 E C 1.380 177.985 176.600 0.007 0.000 0.951 1044 E CA 0.722 57.145 56.400 0.039 0.000 1.102 1044 E CB -0.856 28.853 29.700 0.015 0.000 1.091 1044 E HN 0.820 nan 8.360 nan 0.000 0.507 1045 T N -2.306 112.243 114.554 -0.008 0.000 3.035 1045 T HA 0.089 4.441 4.350 0.003 0.000 0.268 1045 T C 1.217 175.642 174.700 -0.459 0.000 1.109 1045 T CA 0.978 62.942 62.100 -0.228 0.000 1.119 1045 T CB -0.546 68.134 68.868 -0.314 0.000 0.900 1045 T HN 0.303 nan 8.240 nan 0.000 0.503 1046 F N 0.798 120.738 119.950 -0.017 0.000 2.682 1046 F HA 0.465 4.994 4.527 0.003 0.000 0.308 1046 F C 0.175 175.971 175.800 -0.006 0.000 1.093 1046 F CA -0.968 57.027 58.000 -0.008 0.000 1.244 1046 F CB 0.750 39.746 39.000 -0.007 0.000 1.052 1046 F HN 0.102 nan 8.300 nan 0.000 0.573 1047 D N 1.147 121.613 120.400 0.109 0.000 2.419 1047 D HA 0.174 4.816 4.640 0.003 0.000 0.219 1047 D C -2.847 173.474 176.300 0.035 0.000 1.349 1047 D CA -1.395 52.644 54.000 0.065 0.000 0.964 1047 D CB 1.789 42.632 40.800 0.072 0.000 1.463 1047 D HN -0.170 nan 8.370 nan 0.000 0.573 1048 P HA 0.253 nan 4.420 nan 0.000 0.275 1048 P C -0.445 176.850 177.300 -0.010 0.000 1.228 1048 P CA -0.586 62.521 63.100 0.012 0.000 0.786 1048 P CB 0.973 32.682 31.700 0.014 0.000 0.927 1049 M N 1.773 121.367 119.600 -0.009 0.000 2.088 1049 M HA 0.376 4.858 4.480 0.003 0.000 0.346 1049 M C 0.147 176.423 176.300 -0.040 0.000 1.111 1049 M CA -0.468 54.809 55.300 -0.039 0.000 1.017 1049 M CB 0.636 33.237 32.600 0.001 0.000 1.568 1049 M HN 0.369 nan 8.290 nan 0.000 0.445 1050 K N 3.938 124.304 120.400 -0.056 0.000 2.298 1050 K HA 0.555 4.876 4.320 0.003 0.000 0.280 1050 K C -1.126 175.448 176.600 -0.044 0.000 1.032 1050 K CA -0.431 55.834 56.287 -0.037 0.000 0.958 1050 K CB 0.618 33.097 32.500 -0.036 0.000 0.978 1050 K HN 0.635 nan 8.250 nan 0.000 0.472 1051 V N 5.210 125.102 119.914 -0.038 0.000 2.495 1051 V HA 0.364 4.486 4.120 0.003 0.000 0.298 1051 V C -2.293 173.784 176.094 -0.029 0.000 1.031 1051 V CA -2.053 60.217 62.300 -0.051 0.000 0.871 1051 V CB 1.610 33.372 31.823 -0.102 0.000 0.988 1051 V HN 0.834 nan 8.190 nan 0.000 0.432 1052 P HA 0.045 nan 4.420 nan 0.000 0.267 1052 P C -0.468 176.846 177.300 0.024 0.000 1.195 1052 P CA -0.030 63.072 63.100 0.005 0.000 0.773 1052 P CB 0.379 32.084 31.700 0.009 0.000 0.837 1053 D N 0.678 121.099 120.400 0.036 0.000 2.364 1053 D HA 0.065 4.706 4.640 0.003 0.000 0.236 1053 D C 0.124 176.484 176.300 0.100 0.000 1.221 1053 D CA 1.061 55.097 54.000 0.059 0.000 0.891 1053 D CB 0.101 40.927 40.800 0.044 0.000 1.190 1053 D HN 0.370 nan 8.370 nan 0.000 0.449 1054 H N -0.541 118.527 119.070 -0.003 0.000 3.128 1054 H HA 0.303 4.861 4.556 0.003 0.000 0.336 1054 H C -1.628 173.710 175.328 0.018 0.000 1.026 1054 H CA -0.600 55.446 56.048 -0.005 0.000 1.376 1054 H CB 0.858 30.602 29.762 -0.030 0.000 1.882 1054 H HN 0.316 nan 8.280 nan 0.000 0.479 1055 S N 2.852 118.335 115.700 -0.361 0.000 2.482 1055 S HA 0.792 5.264 4.470 0.003 0.000 0.303 1055 S C -0.195 174.231 174.600 -0.290 0.000 1.091 1055 S CA 0.110 58.200 58.200 -0.183 0.000 1.057 1055 S CB 2.321 65.458 63.200 -0.105 0.000 1.031 1055 S HN 0.846 nan 8.310 nan 0.000 0.485 1056 D N 0.517 120.869 120.400 -0.081 0.000 3.561 1056 D HA 0.876 5.517 4.640 0.003 0.000 0.302 1056 D C -0.668 175.594 176.300 -0.063 0.000 1.417 1056 D CA -0.304 53.672 54.000 -0.040 0.000 0.994 1056 D CB 0.237 41.117 40.800 0.134 0.000 1.358 1056 D HN 1.178 nan 8.370 nan 0.000 0.626 1057 K N 0.151 120.513 120.400 -0.064 0.000 2.606 1057 K HA 0.634 4.956 4.320 0.003 0.000 0.259 1057 K C -0.555 175.965 176.600 -0.134 0.000 1.001 1057 K CA -0.514 55.646 56.287 -0.211 0.000 0.881 1057 K CB 0.217 32.611 32.500 -0.177 0.000 1.288 1057 K HN 1.273 nan 8.250 nan 0.000 0.452 1069 G N -1.101 107.562 108.800 -0.227 0.000 2.343 1069 G HA2 0.634 4.595 3.960 0.003 0.000 0.298 1069 G HA3 0.634 4.595 3.960 0.003 0.000 0.298 1069 G C -0.221 174.280 174.900 -0.665 0.000 1.644 1069 G CA 1.129 46.032 45.100 -0.328 0.000 0.958 1069 G HN 1.752 nan 8.290 nan 0.000 0.702 1070 E N -0.111 119.894 120.200 -0.324 0.000 2.766 1070 E HA 0.880 5.232 4.350 0.003 0.000 0.261 1070 E C 0.397 176.869 176.600 -0.214 0.000 1.427 1070 E CA 0.337 56.583 56.400 -0.256 0.000 1.085 1070 E CB 1.004 30.637 29.700 -0.113 0.000 1.074 1070 E HN 2.189 nan 8.360 nan 0.000 0.651 1071 L N -0.328 120.859 121.223 -0.059 0.000 2.983 1071 L HA 0.477 4.819 4.340 0.003 0.000 0.249 1071 L C -2.438 174.499 176.870 0.111 0.000 0.963 1071 L CA -0.396 54.506 54.840 0.105 0.000 1.011 1071 L CB 2.152 44.331 42.059 0.200 0.000 1.607 1071 L HN 0.975 nan 8.230 nan 0.000 0.447 1072 D N 3.454 123.951 120.400 0.162 0.000 2.736 1072 D HA 0.575 5.217 4.640 0.003 0.000 0.223 1072 D C -0.957 175.463 176.300 0.201 0.000 1.231 1072 D CA -0.620 53.468 54.000 0.147 0.000 0.818 1072 D CB 1.626 42.472 40.800 0.076 0.000 1.587 1072 D HN 0.699 nan 8.370 nan 0.000 0.463 1073 M N -0.114 119.610 119.600 0.207 0.000 2.393 1073 M HA 0.723 5.204 4.480 0.003 0.000 0.316 1073 M C -1.043 175.368 176.300 0.186 0.000 1.087 1073 M CA -0.687 54.764 55.300 0.251 0.000 0.937 1073 M CB 2.493 35.236 32.600 0.240 0.000 1.668 1073 M HN 0.336 nan 8.290 nan 0.000 0.438 1074 R N 1.144 121.769 120.500 0.209 0.000 2.837 1074 R HA 0.544 4.885 4.340 0.003 0.000 0.271 1074 R C -0.603 175.801 176.300 0.173 0.000 0.993 1074 R CA -0.932 55.258 56.100 0.150 0.000 0.931 1074 R CB 1.195 31.564 30.300 0.115 0.000 1.206 1074 R HN 0.920 nan 8.270 nan 0.000 0.474 1075 N N 0.620 119.394 118.700 0.123 0.000 2.756 1075 N HA -0.167 4.574 4.740 0.003 0.000 0.248 1075 N C -0.930 174.674 175.510 0.156 0.000 1.062 1075 N CA 0.765 53.887 53.050 0.121 0.000 0.696 1075 N CB -1.293 37.270 38.487 0.127 0.000 0.946 1075 N HN 0.530 nan 8.380 nan 0.000 0.548 1076 I N 0.976 121.618 120.570 0.120 0.000 2.363 1076 I HA 0.032 4.204 4.170 0.003 0.000 0.292 1076 I C 0.626 176.777 176.117 0.056 0.000 1.075 1076 I CA 0.306 61.666 61.300 0.101 0.000 1.333 1076 I CB 0.441 38.413 38.000 -0.046 0.000 1.415 1076 I HN -0.051 nan 8.210 nan 0.000 0.502 1077 Q N 5.683 125.539 119.800 0.093 0.000 2.321 1077 Q HA 0.513 4.855 4.340 0.003 0.000 0.270 1077 Q C -1.163 174.866 176.000 0.048 0.000 1.032 1077 Q CA -0.813 55.022 55.803 0.053 0.000 0.784 1077 Q CB 3.333 32.109 28.738 0.063 0.000 1.264 1077 Q HN 0.427 nan 8.270 nan 0.000 0.448 1078 V N 1.722 121.637 119.914 0.002 0.000 2.439 1078 V HA 0.805 4.927 4.120 0.003 0.000 0.282 1078 V C 0.333 176.421 176.094 -0.010 0.000 1.039 1078 V CA -0.439 61.850 62.300 -0.018 0.000 0.913 1078 V CB 0.964 32.745 31.823 -0.070 0.000 0.983 1078 V HN 0.843 nan 8.190 nan 0.000 0.460 1079 R N 1.927 122.422 120.500 -0.008 0.000 2.807 1079 R HA 0.800 5.142 4.340 0.003 0.000 0.276 1079 R C 0.934 177.220 176.300 -0.024 0.000 0.979 1079 R CA -0.001 56.099 56.100 -0.001 0.000 0.928 1079 R CB 1.399 31.713 30.300 0.023 0.000 1.191 1079 R HN 1.934 nan 8.270 nan 0.000 0.471 1080 G N -0.547 108.246 108.800 -0.013 0.000 2.231 1080 G HA2 -0.196 3.766 3.960 0.003 0.000 0.206 1080 G HA3 -0.196 3.766 3.960 0.003 0.000 0.206 1080 G C 1.106 175.990 174.900 -0.028 0.000 0.996 1080 G CA 0.397 45.485 45.100 -0.019 0.000 0.645 1080 G HN 0.683 nan 8.290 nan 0.000 0.498 1081 L N 0.559 121.767 121.223 -0.025 0.000 2.265 1081 L HA 0.065 4.407 4.340 0.003 0.000 0.215 1081 L C 3.208 180.108 176.870 0.050 0.000 1.117 1081 L CA 2.016 56.872 54.840 0.026 0.000 0.782 1081 L CB -0.652 41.445 42.059 0.064 0.000 0.914 1081 L HN 0.438 nan 8.230 nan 0.000 0.441 1082 K N 0.187 120.606 120.400 0.031 0.000 2.360 1082 K HA -0.073 4.249 4.320 0.003 0.000 0.201 1082 K C 1.766 178.359 176.600 -0.013 0.000 1.046 1082 K CA 1.585 57.887 56.287 0.026 0.000 0.945 1082 K CB -1.195 31.324 32.500 0.033 0.000 0.750 1082 K HN 0.572 nan 8.250 nan 0.000 0.464 1083 Q N 0.264 120.018 119.800 -0.077 0.000 2.225 1083 Q HA 0.569 4.911 4.340 0.003 0.000 0.259 1083 Q C 0.507 176.224 176.000 -0.472 0.000 0.872 1083 Q CA 0.093 55.718 55.803 -0.296 0.000 1.042 1083 Q CB -0.696 27.868 28.738 -0.289 0.000 1.142 1083 Q HN 0.887 nan 8.270 nan 0.000 0.463 1084 M N -1.582 117.943 119.600 -0.126 0.000 2.209 1084 M HA 0.835 5.317 4.480 0.003 0.000 0.355 1084 M C -0.303 176.034 176.300 0.062 0.000 1.171 1084 M CA -0.491 54.812 55.300 0.005 0.000 1.069 1084 M CB 1.437 34.156 32.600 0.199 0.000 1.622 1084 M HN 0.042 nan 8.290 nan 0.000 0.459 1085 K N 2.448 122.908 120.400 0.099 0.000 2.480 1085 K HA 0.686 5.007 4.320 0.003 0.000 0.258 1085 K C -0.833 175.840 176.600 0.121 0.000 0.990 1085 K CA -0.969 55.407 56.287 0.149 0.000 0.857 1085 K CB 1.304 33.935 32.500 0.219 0.000 1.384 1085 K HN 0.975 nan 8.250 nan 0.000 0.446 1086 R N -0.053 120.510 120.500 0.104 0.000 2.694 1086 R HA 0.512 4.854 4.340 0.003 0.000 0.268 1086 R C -0.666 175.669 176.300 0.058 0.000 1.061 1086 R CA -0.395 55.742 56.100 0.062 0.000 1.133 1086 R CB 0.468 30.803 30.300 0.057 0.000 1.020 1086 R HN 0.194 nan 8.270 nan 0.000 0.475 1087 V N 2.436 122.367 119.914 0.030 0.000 2.448 1087 V HA 0.543 4.664 4.120 0.003 0.000 0.295 1087 V C 0.710 176.816 176.094 0.019 0.000 1.025 1087 V CA 0.290 62.607 62.300 0.028 0.000 0.859 1087 V CB 0.830 32.661 31.823 0.014 0.000 0.988 1087 V HN 1.186 nan 8.190 nan 0.000 0.431 1088 G N 4.483 113.298 108.800 0.024 0.000 2.804 1088 G HA2 -0.154 3.808 3.960 0.003 0.000 0.230 1088 G HA3 -0.154 3.808 3.960 0.003 0.000 0.230 1088 G C -0.644 174.276 174.900 0.034 0.000 1.386 1088 G CA -0.325 44.789 45.100 0.023 0.000 0.875 1088 G HN 0.671 nan 8.290 nan 0.000 0.557 1089 D N 0.272 120.698 120.400 0.043 0.000 2.348 1089 D HA 0.573 5.215 4.640 0.003 0.000 0.249 1089 D C 0.961 177.303 176.300 0.070 0.000 1.110 1089 D CA 0.618 54.655 54.000 0.061 0.000 0.967 1089 D CB 1.402 42.249 40.800 0.079 0.000 1.139 1089 D HN 0.921 nan 8.370 nan 0.000 0.466 1090 A N 1.172 124.041 122.820 0.080 0.000 2.425 1090 A HA 0.141 4.463 4.320 0.003 0.000 0.249 1090 A C 0.180 177.841 177.584 0.128 0.000 1.084 1090 A CA -0.242 51.848 52.037 0.087 0.000 0.781 1090 A CB -0.061 18.980 19.000 0.069 0.000 1.019 1090 A HN 0.528 nan 8.150 nan 0.000 0.490 1091 N N 1.358 120.140 118.700 0.136 0.000 2.521 1091 N HA 0.359 5.101 4.740 0.003 0.000 0.236 1091 N C -0.846 174.744 175.510 0.133 0.000 1.067 1091 N CA -0.409 52.747 53.050 0.176 0.000 0.939 1091 N CB 1.063 39.663 38.487 0.188 0.000 1.201 1091 N HN 0.406 nan 8.380 nan 0.000 0.511 1092 V N 2.336 122.375 119.914 0.209 0.000 2.743 1092 V HA 0.338 4.460 4.120 0.003 0.000 0.301 1092 V C 0.314 176.516 176.094 0.181 0.000 1.057 1092 V CA -0.283 62.093 62.300 0.127 0.000 1.006 1092 V CB 1.465 33.347 31.823 0.098 0.000 1.024 1092 V HN 0.599 nan 8.190 nan 0.000 0.473 1093 K N 2.288 122.742 120.400 0.090 0.000 2.739 1093 K HA 0.286 4.607 4.320 0.003 0.000 0.288 1093 K C -0.647 175.984 176.600 0.051 0.000 1.142 1093 K CA -0.086 56.270 56.287 0.116 0.000 1.060 1093 K CB 1.456 34.018 32.500 0.103 0.000 1.338 1093 K HN 0.743 nan 8.250 nan 0.000 0.514 1094 S N 2.699 118.422 115.700 0.040 0.000 2.584 1094 S HA 0.197 4.669 4.470 0.003 0.000 0.270 1094 S C -0.719 173.896 174.600 0.024 0.000 1.346 1094 S CA 0.204 58.408 58.200 0.006 0.000 1.018 1094 S CB 0.713 63.895 63.200 -0.030 0.000 0.899 1094 S HN 0.709 nan 8.310 nan 0.000 0.542 1095 E N 1.204 121.412 120.200 0.013 0.000 3.127 1095 E HA 0.115 4.466 4.350 0.003 0.000 0.338 1095 E C -1.494 175.114 176.600 0.013 0.000 1.049 1095 E CA -0.381 56.031 56.400 0.020 0.000 0.864 1095 E CB 0.418 30.136 29.700 0.030 0.000 1.247 1095 E HN 0.712 nan 8.360 nan 0.000 0.452 1096 D N 3.029 123.437 120.400 0.013 0.000 2.945 1096 D HA -0.221 4.421 4.640 0.003 0.000 0.225 1096 D C 0.756 177.059 176.300 0.004 0.000 1.158 1096 D CA 1.892 55.898 54.000 0.010 0.000 0.805 1096 D CB -1.280 39.527 40.800 0.012 0.000 1.098 1096 D HN 1.100 nan 8.370 nan 0.000 0.426 1097 G N -1.753 107.047 108.800 0.001 0.000 2.184 1097 G HA2 -0.337 3.625 3.960 0.003 0.000 0.264 1097 G HA3 -0.337 3.625 3.960 0.003 0.000 0.264 1097 G C 0.375 175.270 174.900 -0.008 0.000 0.975 1097 G CA 0.469 45.565 45.100 -0.005 0.000 0.642 1097 G HN 0.586 nan 8.290 nan 0.000 0.536 1098 V N 0.842 120.753 119.914 -0.004 0.000 2.427 1098 V HA 0.607 4.728 4.120 0.003 0.000 0.286 1098 V C 0.466 176.554 176.094 -0.010 0.000 1.034 1098 V CA -0.780 61.517 62.300 -0.006 0.000 0.893 1098 V CB 1.953 33.776 31.823 -0.001 0.000 0.982 1098 V HN 0.218 nan 8.190 nan 0.000 0.452 1099 V N 4.680 124.585 119.914 -0.016 0.000 2.347 1099 V HA 0.609 4.730 4.120 0.003 0.000 0.280 1099 V C 0.489 176.566 176.094 -0.028 0.000 1.021 1099 V CA -0.591 61.697 62.300 -0.021 0.000 0.847 1099 V CB 1.165 32.972 31.823 -0.027 0.000 0.990 1099 V HN 1.000 nan 8.190 nan 0.000 0.444 1100 K N 2.733 123.109 120.400 -0.040 0.000 2.110 1100 K HA 0.939 5.260 4.320 0.003 0.000 0.263 1100 K C -0.174 176.353 176.600 -0.121 0.000 0.975 1100 K CA -0.165 56.070 56.287 -0.086 0.000 0.895 1100 K CB 1.849 34.283 32.500 -0.111 0.000 1.060 1100 K HN 1.428 nan 8.250 nan 0.000 0.448 1101 A N 2.372 125.094 122.820 -0.164 0.000 2.465 1101 A HA 0.596 4.918 4.320 0.003 0.000 0.292 1101 A C -1.287 176.217 177.584 -0.132 0.000 1.041 1101 A CA -0.719 51.238 52.037 -0.133 0.000 0.718 1101 A CB 0.751 19.735 19.000 -0.028 0.000 1.266 1101 A HN 0.791 nan 8.150 nan 0.000 0.403 1102 H N 1.508 120.594 119.070 0.026 0.000 2.467 1102 H HA 0.755 5.312 4.556 0.003 0.000 0.331 1102 H C -0.663 174.658 175.328 -0.012 0.000 1.120 1102 H CA -0.218 55.827 56.048 -0.004 0.000 1.270 1102 H CB 1.492 31.250 29.762 -0.007 0.000 1.466 1102 H HN 0.579 nan 8.280 nan 0.000 0.504 1103 L N 2.332 123.609 121.223 0.089 0.000 2.409 1103 L HA 0.452 4.794 4.340 0.003 0.000 0.255 1103 L C -0.880 175.958 176.870 -0.053 0.000 1.027 1103 L CA -0.635 54.213 54.840 0.015 0.000 0.834 1103 L CB 2.562 44.618 42.059 -0.005 0.000 1.426 1103 L HN 0.287 nan 8.230 nan 0.000 0.411 1104 L N 2.111 123.297 121.223 -0.061 0.000 2.406 1104 L HA 0.575 4.917 4.340 0.003 0.000 0.272 1104 L C -1.190 175.620 176.870 -0.099 0.000 0.980 1104 L CA -0.759 54.016 54.840 -0.108 0.000 0.831 1104 L CB 2.134 44.141 42.059 -0.086 0.000 1.253 1104 L HN 0.193 nan 8.230 nan 0.000 0.406 1105 V N 2.784 122.602 119.914 -0.160 0.000 2.304 1105 V HA 0.622 4.743 4.120 0.003 0.000 0.278 1105 V C 0.576 176.586 176.094 -0.140 0.000 1.018 1105 V CA -0.261 61.978 62.300 -0.102 0.000 0.814 1105 V CB 1.057 32.816 31.823 -0.107 0.000 1.021 1105 V HN 0.910 nan 8.190 nan 0.000 0.440 1106 G N 2.756 111.520 108.800 -0.059 0.000 3.107 1106 G HA2 0.688 4.650 3.960 0.003 0.000 0.232 1106 G HA3 0.688 4.650 3.960 0.003 0.000 0.232 1106 G C -0.961 173.997 174.900 0.097 0.000 1.339 1106 G CA -0.632 44.437 45.100 -0.052 0.000 1.033 1106 G HN 0.490 nan 8.290 nan 0.000 0.567 1107 V N -0.859 119.153 119.914 0.164 0.000 2.850 1107 V HA 0.472 4.594 4.120 0.003 0.000 0.315 1107 V C 0.753 176.948 176.094 0.168 0.000 1.064 1107 V CA -0.626 61.766 62.300 0.153 0.000 0.979 1107 V CB 1.251 33.210 31.823 0.227 0.000 1.039 1107 V HN 0.836 nan 8.190 nan 0.000 0.452 1108 H N 1.832 120.966 119.070 0.106 0.000 1.623 1108 H HA 0.049 4.607 4.556 0.003 0.000 0.313 1108 H C 0.096 175.464 175.328 0.067 0.000 2.094 1108 H CA 0.688 56.782 56.048 0.075 0.000 1.296 1108 H CB 0.286 30.087 29.762 0.066 0.000 1.646 1108 H HN 0.661 nan 8.280 nan 0.000 0.430 1109 D N 0.624 121.155 120.400 0.218 0.000 2.336 1109 D HA 0.038 4.680 4.640 0.003 0.000 0.228 1109 D C -0.347 176.021 176.300 0.114 0.000 1.120 1109 D CA 0.361 54.433 54.000 0.120 0.000 0.839 1109 D CB 0.091 40.934 40.800 0.071 0.000 0.932 1109 D HN 0.334 nan 8.370 nan 0.000 0.509 1110 D N 0.203 120.690 120.400 0.145 0.000 2.549 1110 D HA 0.338 4.980 4.640 0.003 0.000 0.270 1110 D C 0.278 176.633 176.300 0.091 0.000 1.181 1110 D CA -0.595 53.470 54.000 0.108 0.000 1.070 1110 D CB 2.015 42.884 40.800 0.114 0.000 1.154 1110 D HN -0.250 nan 8.370 nan 0.000 0.602 1111 V N 0.597 120.552 119.914 0.068 0.000 2.656 1111 V HA 0.226 4.348 4.120 0.003 0.000 0.307 1111 V C -0.076 176.033 176.094 0.024 0.000 1.051 1111 V CA -0.910 61.424 62.300 0.055 0.000 0.893 1111 V CB 2.126 33.979 31.823 0.049 0.000 0.999 1111 V HN 0.242 nan 8.190 nan 0.000 0.426 1112 V N 4.337 124.249 119.914 -0.004 0.000 2.389 1112 V HA 0.434 4.556 4.120 0.003 0.000 0.264 1112 V C 0.503 176.551 176.094 -0.077 0.000 1.049 1112 V CA -0.016 62.226 62.300 -0.097 0.000 0.932 1112 V CB 1.018 32.666 31.823 -0.293 0.000 1.011 1112 V HN 1.046 nan 8.190 nan 0.000 0.475 1113 S N 3.630 119.313 115.700 -0.029 0.000 2.664 1113 S HA 0.966 5.438 4.470 0.003 0.000 0.304 1113 S C -0.312 174.327 174.600 0.066 0.000 1.099 1113 S CA -0.591 57.626 58.200 0.029 0.000 1.003 1113 S CB 2.036 65.272 63.200 0.059 0.000 1.092 1113 S HN 1.081 nan 8.310 nan 0.000 0.525 1114 M N 1.341 121.045 119.600 0.173 0.000 2.093 1114 M HA 0.677 5.159 4.480 0.003 0.000 0.297 1114 M C -0.739 175.778 176.300 0.362 0.000 0.938 1114 M CA -0.617 54.829 55.300 0.243 0.000 0.920 1114 M CB 0.502 33.287 32.600 0.308 0.000 1.517 1114 M HN 0.856 nan 8.290 nan 0.000 0.427 1115 E N 2.365 122.730 120.200 0.275 0.000 2.214 1115 E HA 0.869 5.220 4.350 0.003 0.000 0.274 1115 E C -1.251 175.556 176.600 0.346 0.000 0.977 1115 E CA -0.570 55.958 56.400 0.213 0.000 0.827 1115 E CB 1.689 31.512 29.700 0.205 0.000 1.130 1115 E HN 0.927 nan 8.360 nan 0.000 0.394 1116 Y N -1.726 118.548 120.300 -0.043 0.000 2.774 1116 Y HA 0.302 4.853 4.550 0.003 0.000 0.346 1116 Y C -1.737 174.174 175.900 0.018 0.000 1.222 1116 Y CA -1.468 56.655 58.100 0.039 0.000 1.088 1116 Y CB 0.877 39.373 38.460 0.061 0.000 1.354 1116 Y HN 0.206 nan 8.280 nan 0.000 0.455 1117 D N 2.116 122.653 120.400 0.229 0.000 2.168 1117 D HA 0.460 5.101 4.640 0.003 0.000 0.246 1117 D C -1.300 175.138 176.300 0.230 0.000 1.050 1117 D CA -0.221 53.882 54.000 0.171 0.000 0.857 1117 D CB 2.789 43.701 40.800 0.188 0.000 1.169 1117 D HN 0.552 nan 8.370 nan 0.000 0.453 1118 L N 1.327 122.652 121.223 0.170 0.000 2.342 1118 L HA 0.750 5.091 4.340 0.003 0.000 0.271 1118 L C -1.274 175.753 176.870 0.261 0.000 1.008 1118 L CA -0.603 54.397 54.840 0.265 0.000 0.818 1118 L CB 1.779 43.995 42.059 0.261 0.000 1.296 1118 L HN 0.503 nan 8.230 nan 0.000 0.427 1119 A N 3.256 126.256 122.820 0.300 0.000 2.539 1119 A HA 0.871 5.193 4.320 0.003 0.000 0.296 1119 A C -1.971 175.828 177.584 0.358 0.000 1.073 1119 A CA -0.322 51.836 52.037 0.203 0.000 0.700 1119 A CB 1.400 20.460 19.000 0.100 0.000 1.296 1119 A HN 1.009 nan 8.150 nan 0.000 0.405 1120 Y N -2.725 117.654 120.300 0.132 0.000 2.620 1120 Y HA 0.768 5.320 4.550 0.003 0.000 0.331 1120 Y C -0.309 175.675 175.900 0.141 0.000 1.173 1120 Y CA -0.578 57.626 58.100 0.174 0.000 1.076 1120 Y CB 0.209 38.866 38.460 0.327 0.000 1.336 1120 Y HN 0.988 nan 8.280 nan 0.000 0.459 1128 N N 0.735 119.363 118.700 -0.120 0.000 2.314 1128 N HA 0.758 5.500 4.740 0.003 0.000 0.304 1128 N C -0.661 174.879 175.510 0.049 0.000 1.073 1128 N CA -0.103 52.935 53.050 -0.019 0.000 0.822 1128 N CB 2.697 41.187 38.487 0.005 0.000 1.280 1128 N HN 0.461 nan 8.380 nan 0.000 0.489 1129 T N -0.516 114.104 114.554 0.109 0.000 2.840 1129 T HA 0.149 4.500 4.350 0.003 0.000 0.317 1129 T C -1.196 173.573 174.700 0.114 0.000 1.401 1129 T CA -0.637 61.535 62.100 0.121 0.000 1.028 1129 T CB 1.603 70.562 68.868 0.150 0.000 1.317 1129 T HN 0.558 nan 8.240 nan 0.000 0.495 1130 H N 0.208 119.276 119.070 -0.004 0.000 2.511 1130 H HA 0.759 5.317 4.556 0.003 0.000 0.346 1130 H C -0.936 174.311 175.328 -0.136 0.000 1.128 1130 H CA -0.029 55.980 56.048 -0.065 0.000 1.342 1130 H CB 0.624 30.360 29.762 -0.043 0.000 1.470 1130 H HN 0.364 nan 8.280 nan 0.000 0.546 1131 V N 5.716 125.057 119.914 -0.956 0.000 3.007 1131 V HA 0.346 4.467 4.120 0.003 0.000 0.311 1131 V C -0.474 175.107 176.094 -0.854 0.000 1.120 1131 V CA -0.818 60.994 62.300 -0.814 0.000 0.980 1131 V CB 2.120 33.364 31.823 -0.964 0.000 1.033 1131 V HN 0.709 nan 8.190 nan 0.000 0.429 1132 I N 2.075 122.441 120.570 -0.340 0.000 2.503 1132 I HA 0.363 4.534 4.170 0.003 0.000 0.282 1132 I C -0.435 175.692 176.117 0.017 0.000 1.059 1132 I CA -0.092 61.159 61.300 -0.082 0.000 1.081 1132 I CB 2.001 40.041 38.000 0.066 0.000 1.210 1132 I HN 0.506 nan 8.210 nan 0.000 0.450 1133 S N 4.729 120.458 115.700 0.048 0.000 2.429 1133 S HA 0.381 4.853 4.470 0.003 0.000 0.302 1133 S C -0.571 173.985 174.600 -0.073 0.000 1.115 1133 S CA -0.759 57.359 58.200 -0.135 0.000 1.095 1133 S CB 1.026 63.958 63.200 -0.447 0.000 0.987 1133 S HN 0.410 nan 8.310 nan 0.000 0.474 1134 D N 2.100 122.422 120.400 -0.131 0.000 2.193 1134 D HA 0.482 5.124 4.640 0.003 0.000 0.249 1134 D C -0.336 175.888 176.300 -0.127 0.000 1.034 1134 D CA -0.242 53.719 54.000 -0.065 0.000 0.902 1134 D CB 1.522 42.323 40.800 0.001 0.000 1.182 1134 D HN 0.352 nan 8.370 nan 0.000 0.436 1135 I N 1.625 122.137 120.570 -0.096 0.000 2.468 1135 I HA 0.139 4.310 4.170 0.003 0.000 0.284 1135 I C -0.149 175.975 176.117 0.011 0.000 1.038 1135 I CA -0.559 60.670 61.300 -0.118 0.000 1.083 1135 I CB 2.013 39.836 38.000 -0.296 0.000 1.223 1135 I HN 0.055 nan 8.210 nan 0.000 0.443 1136 Q N 5.127 124.954 119.800 0.044 0.000 2.230 1136 Q HA 0.218 4.559 4.340 0.003 0.000 0.253 1136 Q C -0.727 175.350 176.000 0.128 0.000 0.919 1136 Q CA -0.327 55.526 55.803 0.082 0.000 0.908 1136 Q CB 1.051 29.822 28.738 0.056 0.000 1.245 1136 Q HN 0.511 nan 8.270 nan 0.000 0.437 1137 D N 2.557 123.040 120.400 0.139 0.000 2.746 1137 D HA -0.240 4.402 4.640 0.003 0.000 0.241 1137 D C -1.005 175.408 176.300 0.187 0.000 1.140 1137 D CA 0.668 54.747 54.000 0.133 0.000 0.707 1137 D CB -1.172 39.678 40.800 0.084 0.000 1.034 1137 D HN 0.408 nan 8.370 nan 0.000 0.423 1138 F N 0.980 120.990 119.950 0.101 0.000 2.502 1138 F HA 0.329 4.858 4.527 0.003 0.000 0.371 1138 F C -0.272 175.586 175.800 0.096 0.000 1.083 1138 F CA -0.305 57.787 58.000 0.153 0.000 1.174 1138 F CB 0.574 39.661 39.000 0.147 0.000 1.096 1138 F HN -0.122 nan 8.300 nan 0.000 0.545 1139 V N 6.752 126.367 119.914 -0.497 0.000 2.769 1139 V HA 0.588 4.710 4.120 0.003 0.000 0.312 1139 V C -0.632 175.046 176.094 -0.693 0.000 1.061 1139 V CA -0.937 61.046 62.300 -0.528 0.000 0.931 1139 V CB 1.832 33.503 31.823 -0.252 0.000 1.010 1139 V HN 0.572 nan 8.190 nan 0.000 0.433 1140 V N 3.049 122.607 119.914 -0.593 0.000 2.604 1140 V HA 0.477 4.599 4.120 0.003 0.000 0.305 1140 V C -0.442 175.363 176.094 -0.482 0.000 1.043 1140 V CA -0.685 61.248 62.300 -0.611 0.000 0.888 1140 V CB 2.005 33.453 31.823 -0.625 0.000 0.995 1140 V HN 0.956 nan 8.190 nan 0.000 0.429 1141 E N 4.566 124.469 120.200 -0.495 0.000 2.151 1141 E HA 0.634 4.986 4.350 0.003 0.000 0.275 1141 E C -1.199 175.204 176.600 -0.328 0.000 0.936 1141 E CA -0.441 55.756 56.400 -0.339 0.000 0.777 1141 E CB 2.071 31.611 29.700 -0.267 0.000 1.108 1141 E HN 0.475 nan 8.360 nan 0.000 0.401 1142 L N 1.422 122.526 121.223 -0.199 0.000 2.322 1142 L HA 0.568 4.910 4.340 0.003 0.000 0.269 1142 L C -0.155 176.724 176.870 0.016 0.000 1.012 1142 L CA -0.774 54.003 54.840 -0.105 0.000 0.815 1142 L CB 1.902 43.892 42.059 -0.114 0.000 1.295 1142 L HN 0.431 nan 8.230 nan 0.000 0.438 1143 S N 2.174 117.899 115.700 0.042 0.000 2.571 1143 S HA 0.490 4.962 4.470 0.003 0.000 0.238 1143 S C -0.500 174.122 174.600 0.036 0.000 1.153 1143 S CA -0.560 57.684 58.200 0.072 0.000 1.141 1143 S CB 0.812 64.073 63.200 0.101 0.000 1.133 1143 S HN 0.328 nan 8.310 nan 0.000 0.464 1144 L N 2.140 123.372 121.223 0.014 0.000 2.454 1144 L HA 0.628 4.970 4.340 0.003 0.000 0.256 1144 L C 0.449 177.316 176.870 -0.005 0.000 1.136 1144 L CA -0.441 54.405 54.840 0.011 0.000 0.804 1144 L CB 0.855 42.921 42.059 0.012 0.000 1.181 1144 L HN 0.569 nan 8.230 nan 0.000 0.469 1145 E N 0.570 120.771 120.200 0.001 0.000 2.646 1145 E HA 0.241 4.593 4.350 0.003 0.000 0.336 1145 E C -1.786 174.812 176.600 -0.002 0.000 1.027 1145 E CA -0.330 56.067 56.400 -0.005 0.000 0.765 1145 E CB 1.464 31.165 29.700 0.001 0.000 1.545 1145 E HN 0.260 nan 8.360 nan 0.000 0.382 1146 V N 3.696 123.606 119.914 -0.007 0.000 2.455 1146 V HA 0.193 4.314 4.120 0.003 0.000 0.273 1146 V C 0.754 176.842 176.094 -0.009 0.000 1.045 1146 V CA -0.163 62.132 62.300 -0.008 0.000 0.976 1146 V CB 0.748 32.563 31.823 -0.012 0.000 0.993 1146 V HN 0.697 nan 8.190 nan 0.000 0.475 1147 S N 3.749 119.445 115.700 -0.007 0.000 2.661 1147 S HA 0.279 4.751 4.470 0.003 0.000 0.265 1147 S C 0.920 175.513 174.600 -0.011 0.000 1.225 1147 S CA -0.568 57.628 58.200 -0.007 0.000 0.986 1147 S CB 0.899 64.097 63.200 -0.003 0.000 1.008 1147 S HN 0.704 nan 8.310 nan 0.000 0.565 1148 E N 0.801 120.995 120.200 -0.010 0.000 2.110 1148 E HA -0.139 4.213 4.350 0.003 0.000 0.193 1148 E C 2.512 179.103 176.600 -0.015 0.000 0.988 1148 E CA 1.389 57.781 56.400 -0.013 0.000 0.804 1148 E CB -0.710 28.984 29.700 -0.010 0.000 0.745 1148 E HN 0.929 nan 8.360 nan 0.000 0.458 1149 E N 0.677 120.870 120.200 -0.011 0.000 2.265 1149 E HA -0.086 4.266 4.350 0.003 0.000 0.196 1149 E C 1.629 178.221 176.600 -0.014 0.000 0.996 1149 E CA 1.243 57.637 56.400 -0.011 0.000 0.832 1149 E CB -0.843 28.852 29.700 -0.008 0.000 0.756 1149 E HN 0.436 nan 8.360 nan 0.000 0.491 1150 G N -0.265 108.527 108.800 -0.014 0.000 2.138 1150 G HA2 -0.176 3.786 3.960 0.003 0.000 0.193 1150 G HA3 -0.176 3.786 3.960 0.003 0.000 0.193 1150 G C -0.020 174.875 174.900 -0.010 0.000 0.998 1150 G CA 0.009 45.100 45.100 -0.015 0.000 0.668 1150 G HN 0.418 nan 8.290 nan 0.000 0.516 1151 N N 0.620 119.316 118.700 -0.006 0.000 2.434 1151 N HA 0.454 5.195 4.740 0.003 0.000 0.272 1151 N C 0.314 175.825 175.510 0.001 0.000 1.040 1151 N CA -0.171 52.878 53.050 -0.002 0.000 0.956 1151 N CB 1.364 39.850 38.487 -0.000 0.000 1.108 1151 N HN 0.491 nan 8.380 nan 0.000 0.481 1152 M N 1.354 120.958 119.600 0.005 0.000 2.255 1152 M HA 0.232 4.714 4.480 0.003 0.000 0.336 1152 M C -0.619 175.690 176.300 0.015 0.000 1.135 1152 M CA 0.330 55.636 55.300 0.011 0.000 1.145 1152 M CB 0.615 33.225 32.600 0.016 0.000 1.473 1152 M HN 0.368 nan 8.290 nan 0.000 0.462 1153 T N 4.320 118.885 114.554 0.018 0.000 2.923 1153 T HA 0.381 4.732 4.350 0.003 0.000 0.311 1153 T C -1.360 173.358 174.700 0.030 0.000 1.183 1153 T CA -0.725 61.388 62.100 0.022 0.000 1.020 1153 T CB 1.551 70.429 68.868 0.017 0.000 1.165 1153 T HN 0.731 nan 8.240 nan 0.000 0.482 1154 L N 3.478 124.724 121.223 0.038 0.000 2.272 1154 L HA 0.355 4.697 4.340 0.003 0.000 0.284 1154 L C 1.521 178.421 176.870 0.051 0.000 1.045 1154 L CA -0.279 54.591 54.840 0.051 0.000 0.842 1154 L CB 0.610 42.705 42.059 0.061 0.000 1.224 1154 L HN 1.002 nan 8.230 nan 0.000 0.430 1155 T N -0.779 113.804 114.554 0.049 0.000 2.978 1155 T HA 0.057 4.408 4.350 0.003 0.000 0.262 1155 T C 0.649 175.385 174.700 0.060 0.000 1.063 1155 T CA 0.607 62.735 62.100 0.047 0.000 1.140 1155 T CB -0.087 68.805 68.868 0.039 0.000 0.886 1155 T HN 0.586 nan 8.240 nan 0.000 0.470 1156 S N -0.136 115.608 115.700 0.075 0.000 2.533 1156 S HA 0.668 5.139 4.470 0.003 0.000 0.271 1156 S C -1.611 173.064 174.600 0.124 0.000 1.143 1156 S CA -1.131 57.119 58.200 0.083 0.000 0.891 1156 S CB 1.745 64.972 63.200 0.045 0.000 1.105 1156 S HN 0.350 nan 8.310 nan 0.000 0.468 1157 F N 1.649 121.573 119.950 -0.043 0.000 2.730 1157 F HA 0.647 5.176 4.527 0.003 0.000 0.335 1157 F C -1.297 174.467 175.800 -0.060 0.000 1.212 1157 F CA -0.115 57.839 58.000 -0.075 0.000 1.016 1157 F CB 1.303 40.266 39.000 -0.062 0.000 1.290 1157 F HN 0.700 nan 8.300 nan 0.000 0.495 1158 E N 4.850 124.760 120.200 -0.483 0.000 2.308 1158 E HA 0.327 4.679 4.350 0.003 0.000 0.275 1158 E C -1.324 174.992 176.600 -0.473 0.000 0.890 1158 E CA -0.780 55.424 56.400 -0.326 0.000 0.754 1158 E CB 2.872 32.462 29.700 -0.184 0.000 1.207 1158 E HN 0.347 nan 8.360 nan 0.000 0.426 1159 V N 3.057 122.780 119.914 -0.319 0.000 2.427 1159 V HA 0.167 4.289 4.120 0.003 0.000 0.268 1159 V C 0.944 176.849 176.094 -0.316 0.000 1.046 1159 V CA -0.198 61.916 62.300 -0.309 0.000 0.970 1159 V CB 0.537 32.320 31.823 -0.068 0.000 1.001 1159 V HN 0.469 nan 8.190 nan 0.000 0.476 1160 R N 3.572 123.872 120.500 -0.334 0.000 2.698 1160 R HA 0.063 4.405 4.340 0.003 0.000 0.266 1160 R C 0.437 176.558 176.300 -0.298 0.000 1.026 1160 R CA -0.329 55.611 56.100 -0.268 0.000 1.102 1160 R CB 0.326 30.493 30.300 -0.222 0.000 0.978 1160 R HN 0.747 nan 8.270 nan 0.000 0.436 1161 Q N 2.714 122.375 119.800 -0.232 0.000 2.308 1161 Q HA -0.075 4.267 4.340 0.003 0.000 0.313 1161 Q C -1.103 174.826 176.000 -0.119 0.000 1.075 1161 Q CA 0.653 56.326 55.803 -0.217 0.000 0.995 1161 Q CB 0.176 28.853 28.738 -0.102 0.000 1.107 1161 Q HN 0.339 nan 8.270 nan 0.000 0.380 1162 F N 2.837 122.821 119.950 0.058 0.000 2.607 1162 F HA 0.036 4.564 4.527 0.003 0.000 0.374 1162 F C 1.415 177.242 175.800 0.045 0.000 1.104 1162 F CA 0.377 58.427 58.000 0.083 0.000 1.296 1162 F CB -0.089 38.988 39.000 0.129 0.000 1.085 1162 F HN 0.792 nan 8.300 nan 0.000 0.584 1163 A N 2.637 125.606 122.820 0.248 0.000 1.858 1163 A HA -0.111 4.211 4.320 0.003 0.000 0.216 1163 A C 0.788 178.437 177.584 0.108 0.000 1.190 1163 A CA 1.971 54.085 52.037 0.128 0.000 0.617 1163 A CB -0.462 18.596 19.000 0.097 0.000 0.827 1163 A HN 0.751 nan 8.150 nan 0.000 0.443 1164 N N -3.125 115.638 118.700 0.106 0.000 2.504 1164 N HA 0.442 5.184 4.740 0.003 0.000 0.268 1164 N C -1.920 173.585 175.510 -0.008 0.000 1.184 1164 N CA -0.321 52.755 53.050 0.044 0.000 0.875 1164 N CB 1.809 40.307 38.487 0.018 0.000 1.630 1164 N HN 0.012 nan 8.380 nan 0.000 0.486 1165 V N 1.848 121.720 119.914 -0.071 0.000 2.531 1165 V HA 0.496 4.618 4.120 0.003 0.000 0.301 1165 V C -0.541 175.425 176.094 -0.213 0.000 1.034 1165 V CA -0.802 61.384 62.300 -0.190 0.000 0.865 1165 V CB 1.635 33.285 31.823 -0.289 0.000 0.995 1165 V HN 0.513 nan 8.190 nan 0.000 0.424 1166 V N 5.153 124.924 119.914 -0.239 0.000 2.333 1166 V HA 0.389 4.511 4.120 0.003 0.000 0.274 1166 V C 0.041 175.869 176.094 -0.442 0.000 1.028 1166 V CA -0.641 61.485 62.300 -0.289 0.000 0.851 1166 V CB 1.203 32.871 31.823 -0.259 0.000 1.000 1166 V HN 0.830 nan 8.190 nan 0.000 0.456 1167 N N 3.949 122.433 118.700 -0.360 0.000 2.422 1167 N HA 0.336 5.077 4.740 0.003 0.000 0.266 1167 N C -0.582 174.799 175.510 -0.214 0.000 1.007 1167 N CA -0.434 52.440 53.050 -0.294 0.000 0.941 1167 N CB 1.088 39.443 38.487 -0.220 0.000 1.115 1167 N HN 0.599 nan 8.380 nan 0.000 0.492 1168 H N 2.769 121.840 119.070 0.001 0.000 2.680 1168 H HA 0.326 4.884 4.556 0.003 0.000 0.260 1168 H C 0.220 175.538 175.328 -0.016 0.000 1.328 1168 H CA -0.292 55.757 56.048 0.003 0.000 1.269 1168 H CB 0.581 30.321 29.762 -0.036 0.000 1.446 1168 H HN 0.391 nan 8.280 nan 0.000 0.527 1169 I N 1.808 122.482 120.570 0.173 0.000 2.337 1169 I HA 0.113 4.285 4.170 0.003 0.000 0.291 1169 I C 1.326 177.494 176.117 0.085 0.000 1.046 1169 I CA -0.482 60.885 61.300 0.111 0.000 1.324 1169 I CB 0.974 39.093 38.000 0.198 0.000 1.409 1169 I HN 0.455 nan 8.210 nan 0.000 0.494 1170 G N 3.943 112.779 108.800 0.060 0.000 2.353 1170 G HA2 0.286 4.248 3.960 0.003 0.000 0.239 1170 G HA3 0.286 4.248 3.960 0.003 0.000 0.239 1170 G C 1.099 176.035 174.900 0.060 0.000 1.295 1170 G CA 0.239 45.375 45.100 0.061 0.000 0.884 1170 G HN 1.141 nan 8.290 nan 0.000 0.537 1171 G N 0.026 108.845 108.800 0.032 0.000 2.200 1171 G HA2 -0.198 3.763 3.960 0.003 0.000 0.267 1171 G HA3 -0.198 3.763 3.960 0.003 0.000 0.267 1171 G C 0.189 175.104 174.900 0.026 0.000 0.993 1171 G CA 0.853 45.968 45.100 0.025 0.000 0.701 1171 G HN 1.033 nan 8.290 nan 0.000 0.524 1172 L N 0.896 122.130 121.223 0.018 0.000 2.341 1172 L HA 0.760 5.101 4.340 0.003 0.000 0.278 1172 L C 0.567 177.364 176.870 -0.122 0.000 1.005 1172 L CA -0.547 54.299 54.840 0.010 0.000 0.818 1172 L CB 1.927 44.050 42.059 0.107 0.000 1.259 1172 L HN 0.162 nan 8.230 nan 0.000 0.418 1173 S N 4.114 119.733 115.700 -0.136 0.000 2.531 1173 S HA 0.140 4.612 4.470 0.003 0.000 0.279 1173 S C 1.553 175.849 174.600 -0.506 0.000 1.305 1173 S CA -0.280 57.778 58.200 -0.236 0.000 1.058 1173 S CB 0.105 63.227 63.200 -0.130 0.000 0.899 1173 S HN 0.710 nan 8.310 nan 0.000 0.493 1174 I N 4.959 125.111 120.570 -0.697 0.000 2.761 1174 I HA -0.130 4.041 4.170 0.003 0.000 0.266 1174 I C 1.308 177.141 176.117 -0.473 0.000 1.239 1174 I CA 1.399 62.035 61.300 -1.107 0.000 1.451 1174 I CB -0.008 37.658 38.000 -0.557 0.000 1.096 1174 I HN 0.745 nan 8.210 nan 0.000 0.465 1175 L N -0.112 120.971 121.223 -0.234 0.000 2.556 1175 L HA 0.198 4.540 4.340 0.003 0.000 0.226 1175 L C 0.385 177.261 176.870 0.010 0.000 1.089 1175 L CA -0.034 54.773 54.840 -0.056 0.000 0.864 1175 L CB -0.058 41.968 42.059 -0.055 0.000 1.067 1175 L HN 0.096 nan 8.230 nan 0.000 0.477 1176 D N 1.071 121.472 120.400 0.001 0.000 2.493 1176 D HA -0.020 4.622 4.640 0.003 0.000 0.240 1176 D C -1.602 174.759 176.300 0.100 0.000 1.142 1176 D CA -0.826 53.206 54.000 0.052 0.000 0.872 1176 D CB 1.578 42.413 40.800 0.059 0.000 1.173 1176 D HN 0.081 nan 8.370 nan 0.000 0.467 1177 P HA -0.151 nan 4.420 nan 0.000 0.215 1177 P C 1.585 178.870 177.300 -0.025 0.000 1.153 1177 P CA 0.444 63.553 63.100 0.015 0.000 0.853 1177 P CB 0.208 31.909 31.700 0.002 0.000 0.788 1178 I N -1.289 119.266 120.570 -0.025 0.000 2.335 1178 I HA -0.223 3.949 4.170 0.003 0.000 0.251 1178 I C 1.967 177.988 176.117 -0.160 0.000 1.129 1178 I CA 1.313 62.547 61.300 -0.109 0.000 1.402 1178 I CB -0.901 37.072 38.000 -0.045 0.000 1.069 1178 I HN -0.166 nan 8.210 nan 0.000 0.424 1179 F N 1.366 121.216 119.950 -0.166 0.000 2.186 1179 F HA -0.058 4.471 4.527 0.003 0.000 0.299 1179 F C 2.290 177.989 175.800 -0.169 0.000 1.090 1179 F CA 1.439 59.340 58.000 -0.166 0.000 1.307 1179 F CB -0.706 38.230 39.000 -0.106 0.000 1.019 1179 F HN 0.101 nan 8.300 nan 0.000 0.489 1180 A N 0.043 122.737 122.820 -0.210 0.000 1.933 1180 A HA -0.122 4.200 4.320 0.003 0.000 0.218 1180 A C 2.228 179.605 177.584 -0.345 0.000 1.175 1180 A CA 2.066 53.941 52.037 -0.270 0.000 0.628 1180 A CB -1.368 17.582 19.000 -0.083 0.000 0.814 1180 A HN 0.287 nan 8.150 nan 0.000 0.444 1181 V N 0.007 119.714 119.914 -0.344 0.000 2.379 1181 V HA -0.208 3.913 4.120 0.003 0.000 0.245 1181 V C 2.504 178.333 176.094 -0.442 0.000 1.044 1181 V CA 1.694 63.765 62.300 -0.382 0.000 1.036 1181 V CB -0.900 30.616 31.823 -0.511 0.000 0.664 1181 V HN 0.530 nan 8.190 nan 0.000 0.453 1182 L N 0.067 120.968 121.223 -0.537 0.000 1.988 1182 L HA -0.131 4.211 4.340 0.003 0.000 0.207 1182 L C 2.807 179.450 176.870 -0.378 0.000 1.071 1182 L CA 1.895 56.469 54.840 -0.445 0.000 0.744 1182 L CB -0.899 40.869 42.059 -0.484 0.000 0.893 1182 L HN 0.388 nan 8.230 nan 0.000 0.433 1183 S N -0.369 114.973 115.700 -0.596 0.000 2.380 1183 S HA -0.304 4.168 4.470 0.003 0.000 0.229 1183 S C 1.848 176.243 174.600 -0.342 0.000 1.043 1183 S CA 1.985 59.856 58.200 -0.548 0.000 1.038 1183 S CB -0.424 62.229 63.200 -0.911 0.000 0.872 1183 S HN 0.431 nan 8.310 nan 0.000 0.456 1184 D N -0.195 120.015 120.400 -0.317 0.000 2.104 1184 D HA -0.105 4.537 4.640 0.003 0.000 0.194 1184 D C 1.936 178.170 176.300 -0.111 0.000 0.994 1184 D CA 1.744 55.633 54.000 -0.185 0.000 0.830 1184 D CB -0.042 40.660 40.800 -0.164 0.000 0.959 1184 D HN 0.385 nan 8.370 nan 0.000 0.452 1185 V N 1.102 120.960 119.914 -0.094 0.000 2.488 1185 V HA -0.145 3.977 4.120 0.003 0.000 0.246 1185 V C 2.629 178.728 176.094 0.009 0.000 1.046 1185 V CA 0.629 62.927 62.300 -0.003 0.000 1.053 1185 V CB -0.235 31.635 31.823 0.079 0.000 0.679 1185 V HN 0.223 nan 8.190 nan 0.000 0.458 1186 L N -0.186 121.016 121.223 -0.035 0.000 2.093 1186 L HA -0.154 4.188 4.340 0.003 0.000 0.208 1186 L C 2.617 179.468 176.870 -0.031 0.000 1.085 1186 L CA 1.763 56.599 54.840 -0.006 0.000 0.755 1186 L CB -0.914 41.123 42.059 -0.038 0.000 0.904 1186 L HN 0.336 nan 8.230 nan 0.000 0.435 1187 T N -0.133 114.350 114.554 -0.118 0.000 2.777 1187 T HA -0.139 4.213 4.350 0.003 0.000 0.266 1187 T C 2.028 176.774 174.700 0.076 0.000 1.040 1187 T CA 1.241 63.283 62.100 -0.098 0.000 1.141 1187 T CB -0.162 68.638 68.868 -0.113 0.000 0.868 1187 T HN 0.443 nan 8.240 nan 0.000 0.444 1188 A N 1.442 124.291 122.820 0.047 0.000 1.877 1188 A HA -0.028 4.294 4.320 0.003 0.000 0.216 1188 A C 2.217 179.857 177.584 0.094 0.000 1.186 1188 A CA 1.273 53.351 52.037 0.068 0.000 0.620 1188 A CB -0.825 18.201 19.000 0.043 0.000 0.822 1188 A HN 0.537 nan 8.150 nan 0.000 0.443 1189 I N -1.780 118.838 120.570 0.080 0.000 2.700 1189 I HA -0.210 3.962 4.170 0.003 0.000 0.261 1189 I C 2.092 178.246 176.117 0.061 0.000 1.219 1189 I CA 0.827 62.126 61.300 -0.002 0.000 1.463 1189 I CB -0.275 37.658 38.000 -0.111 0.000 1.092 1189 I HN 0.271 nan 8.210 nan 0.000 0.452 1190 F N 1.492 121.423 119.950 -0.031 0.000 2.094 1190 F HA -0.162 4.367 4.527 0.003 0.000 0.291 1190 F C 2.564 178.521 175.800 0.262 0.000 1.109 1190 F CA 1.301 59.347 58.000 0.078 0.000 1.221 1190 F CB -0.475 38.562 39.000 0.061 0.000 1.014 1190 F HN 0.153 nan 8.300 nan 0.000 0.473 1191 Q N -0.656 119.411 119.800 0.445 0.000 2.282 1191 Q HA 0.189 4.531 4.340 0.003 0.000 0.205 1191 Q C 0.253 176.273 176.000 0.035 0.000 0.915 1191 Q CA 0.942 56.856 55.803 0.184 0.000 0.949 1191 Q CB -0.473 28.372 28.738 0.178 0.000 1.035 1191 Q HN 0.560 nan 8.270 nan 0.000 0.484 1192 D N -0.088 120.342 120.400 0.050 0.000 2.486 1192 D HA 0.085 4.727 4.640 0.003 0.000 0.243 1192 D C 1.378 177.674 176.300 -0.005 0.000 1.146 1192 D CA 0.744 54.751 54.000 0.012 0.000 0.821 1192 D CB 0.498 41.315 40.800 0.027 0.000 1.201 1192 D HN 0.232 nan 8.370 nan 0.000 0.525 1193 T N -1.183 113.351 114.554 -0.034 0.000 3.313 1193 T HA 0.154 4.506 4.350 0.003 0.000 0.266 1193 T C 2.224 176.872 174.700 -0.088 0.000 0.987 1193 T CA 1.017 63.078 62.100 -0.065 0.000 1.086 1193 T CB 0.396 69.167 68.868 -0.161 0.000 1.159 1193 T HN 0.160 nan 8.240 nan 0.000 0.450 1194 V N 2.184 122.006 119.914 -0.153 0.000 2.379 1194 V HA -0.040 4.081 4.120 0.003 0.000 0.245 1194 V C 2.577 178.647 176.094 -0.040 0.000 1.044 1194 V CA 1.761 63.944 62.300 -0.194 0.000 1.036 1194 V CB -0.571 30.943 31.823 -0.514 0.000 0.664 1194 V HN 0.291 nan 8.190 nan 0.000 0.453 1195 R N 0.534 121.052 120.500 0.030 0.000 2.083 1195 R HA -0.182 4.159 4.340 0.003 0.000 0.237 1195 R C 2.303 178.603 176.300 -0.000 0.000 1.137 1195 R CA 1.813 57.911 56.100 -0.002 0.000 0.951 1195 R CB -0.514 29.632 30.300 -0.256 0.000 0.851 1195 R HN 0.477 nan 8.270 nan 0.000 0.434 1196 A N 0.446 123.258 122.820 -0.013 0.000 1.972 1196 A HA -0.205 4.117 4.320 0.003 0.000 0.219 1196 A C 1.959 179.569 177.584 0.043 0.000 1.169 1196 A CA 1.773 53.817 52.037 0.012 0.000 0.635 1196 A CB -0.475 18.527 19.000 0.004 0.000 0.810 1196 A HN 0.515 nan 8.150 nan 0.000 0.446 1197 E N 0.068 120.286 120.200 0.030 0.000 2.072 1197 E HA -0.133 4.219 4.350 0.003 0.000 0.191 1197 E C 1.899 178.550 176.600 0.085 0.000 0.985 1197 E CA 1.711 58.134 56.400 0.039 0.000 0.801 1197 E CB -0.427 29.271 29.700 -0.002 0.000 0.750 1197 E HN 0.636 nan 8.360 nan 0.000 0.452 1198 M N -0.289 119.378 119.600 0.111 0.000 2.159 1198 M HA -0.103 4.378 4.480 0.003 0.000 0.263 1198 M C 2.109 178.577 176.300 0.280 0.000 1.063 1198 M CA 1.846 57.264 55.300 0.196 0.000 1.110 1198 M CB -0.290 32.448 32.600 0.231 0.000 1.374 1198 M HN 0.068 nan 8.290 nan 0.000 0.411 1199 T N 0.418 115.123 114.554 0.251 0.000 2.737 1199 T HA -0.143 4.209 4.350 0.003 0.000 0.265 1199 T C 1.755 176.609 174.700 0.256 0.000 1.038 1199 T CA 1.267 63.572 62.100 0.341 0.000 1.144 1199 T CB -0.235 68.767 68.868 0.224 0.000 0.866 1199 T HN 0.386 nan 8.240 nan 0.000 0.434 1200 K N 0.904 121.401 120.400 0.163 0.000 2.211 1200 K HA -0.092 4.230 4.320 0.003 0.000 0.204 1200 K C 1.874 178.544 176.600 0.117 0.000 1.047 1200 K CA 1.058 57.413 56.287 0.113 0.000 0.935 1200 K CB -0.073 32.474 32.500 0.078 0.000 0.728 1200 K HN 0.212 nan 8.250 nan 0.000 0.452 1201 V N 0.730 120.743 119.914 0.166 0.000 2.795 1201 V HA -0.080 4.042 4.120 0.003 0.000 0.243 1201 V C 2.072 178.389 176.094 0.371 0.000 1.069 1201 V CA 0.743 63.177 62.300 0.225 0.000 1.089 1201 V CB -0.044 31.899 31.823 0.199 0.000 0.756 1201 V HN 0.225 nan 8.190 nan 0.000 0.471 1202 L N 0.197 121.595 121.223 0.292 0.000 2.131 1202 L HA 0.034 4.375 4.340 0.003 0.000 0.206 1202 L C 2.757 179.416 176.870 -0.352 0.000 1.087 1202 L CA 1.204 56.089 54.840 0.075 0.000 0.767 1202 L CB -0.737 41.532 42.059 0.350 0.000 0.917 1202 L HN 0.324 nan 8.230 nan 0.000 0.441 1203 A N 1.054 123.569 122.820 -0.508 0.000 1.859 1203 A HA -0.189 4.132 4.320 0.003 0.000 0.218 1203 A C 0.020 177.390 177.584 -0.357 0.000 1.209 1203 A CA 2.134 53.682 52.037 -0.815 0.000 0.639 1203 A CB -2.014 16.851 19.000 -0.224 0.000 0.835 1203 A HN 0.245 nan 8.150 nan 0.000 0.450 1204 P HA -0.201 nan 4.420 nan 0.000 0.216 1204 P C 1.726 178.978 177.300 -0.080 0.000 1.154 1204 P CA 2.154 65.218 63.100 -0.059 0.000 0.865 1204 P CB -0.162 31.544 31.700 0.011 0.000 0.789 1205 A N -1.711 121.032 122.820 -0.128 0.000 1.908 1205 A HA -0.206 4.116 4.320 0.003 0.000 0.218 1205 A C 2.024 179.421 177.584 -0.311 0.000 1.181 1205 A CA 1.560 53.451 52.037 -0.243 0.000 0.627 1205 A CB -1.761 16.878 19.000 -0.603 0.000 0.818 1205 A HN 0.083 nan 8.150 nan 0.000 0.445 1206 F N 0.031 119.779 119.950 -0.338 0.000 2.146 1206 F HA -0.087 4.442 4.527 0.003 0.000 0.298 1206 F C 2.300 178.010 175.800 -0.150 0.000 1.096 1206 F CA 1.911 59.763 58.000 -0.247 0.000 1.275 1206 F CB -0.191 38.621 39.000 -0.312 0.000 1.008 1206 F HN 0.217 nan 8.300 nan 0.000 0.480 1207 K N 1.071 121.491 120.400 0.032 0.000 1.991 1207 K HA -0.260 4.061 4.320 0.003 0.000 0.212 1207 K C 2.482 179.086 176.600 0.007 0.000 1.049 1207 K CA 2.339 58.639 56.287 0.021 0.000 0.932 1207 K CB -0.375 32.123 32.500 -0.004 0.000 0.717 1207 K HN 0.124 nan 8.250 nan 0.000 0.441 1208 K N 1.342 121.731 120.400 -0.018 0.000 2.127 1208 K HA -0.215 4.107 4.320 0.003 0.000 0.208 1208 K C 1.900 178.489 176.600 -0.018 0.000 1.047 1208 K CA 2.073 58.350 56.287 -0.018 0.000 0.927 1208 K CB -0.649 31.836 32.500 -0.025 0.000 0.716 1208 K HN 0.385 nan 8.250 nan 0.000 0.450 1209 E N 0.386 120.567 120.200 -0.031 0.000 2.011 1209 E HA 0.026 4.378 4.350 0.003 0.000 0.191 1209 E C 2.290 178.897 176.600 0.012 0.000 0.980 1209 E CA 1.049 57.434 56.400 -0.025 0.000 0.814 1209 E CB -0.498 29.162 29.700 -0.066 0.000 0.775 1209 E HN 0.534 nan 8.360 nan 0.000 0.454 1210 L N 0.933 122.184 121.223 0.048 0.000 2.081 1210 L HA -0.193 4.149 4.340 0.003 0.000 0.212 1210 L C 1.498 178.388 176.870 0.034 0.000 1.080 1210 L CA 1.319 56.194 54.840 0.059 0.000 0.754 1210 L CB -0.382 41.732 42.059 0.091 0.000 0.893 1210 L HN 0.088 nan 8.230 nan 0.000 0.433 1211 E N -0.750 119.465 120.200 0.026 0.000 2.411 1211 E HA 0.087 4.439 4.350 0.003 0.000 0.204 1211 E C 1.715 178.320 176.600 0.008 0.000 1.059 1211 E CA -0.041 56.369 56.400 0.016 0.000 1.112 1211 E CB 0.313 30.023 29.700 0.016 0.000 1.168 1211 E HN 0.409 nan 8.360 nan 0.000 0.445 1212 R N 0.907 121.410 120.500 0.006 0.000 2.062 1212 R HA 0.031 4.373 4.340 0.003 0.000 0.218 1212 R C 1.666 177.967 176.300 0.001 0.000 1.161 1212 R CA 0.737 56.838 56.100 0.001 0.000 0.994 1212 R CB -1.054 29.244 30.300 -0.003 0.000 0.888 1212 R HN 0.066 nan 8.270 nan 0.000 0.442 1213 N N 1.253 119.954 118.700 0.002 0.000 2.585 1213 N HA -0.099 4.643 4.740 0.003 0.000 0.188 1213 N C 0.813 176.323 175.510 -0.000 0.000 1.102 1213 N CA 0.904 53.954 53.050 0.000 0.000 0.920 1213 N CB -0.787 37.701 38.487 0.001 0.000 0.963 1213 N HN 0.789 nan 8.380 nan 0.000 0.447 1214 N N 0.000 118.701 118.700 0.002 0.000 1.763 1214 N HA 0.000 4.742 4.740 0.003 0.000 0.220 1214 N CA 0.000 53.051 53.050 0.001 0.000 0.885 1214 N CB 0.000 38.489 38.487 0.004 0.000 1.341 1214 N HN 0.000 nan 8.380 nan 0.000 0.667