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 2g50_1_C DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHKCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIXXXXXAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKXXDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARAS SQSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL AMNVGKARGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP 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 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 176.099 176.117 -0.029 0.000 1.063 12 I CA 0.000 61.271 61.300 -0.048 0.000 1.566 12 I CB 0.000 37.977 38.000 -0.038 0.000 1.214 13 Q N 3.748 123.532 119.800 -0.026 0.000 2.337 13 Q HA 0.246 4.587 4.340 0.002 0.000 0.270 13 Q C 0.603 176.605 176.000 0.004 0.000 1.002 13 Q CA 0.027 55.828 55.803 -0.003 0.000 0.888 13 Q CB 1.057 29.805 28.738 0.016 0.000 1.222 13 Q HN 0.673 nan 8.270 nan 0.000 0.400 14 T N -0.553 114.005 114.554 0.006 0.000 2.726 14 T HA -0.009 4.342 4.350 0.002 0.000 0.294 14 T C 0.564 175.272 174.700 0.014 0.000 1.013 14 T CA -0.538 61.567 62.100 0.008 0.000 0.996 14 T CB 0.861 69.735 68.868 0.010 0.000 1.016 14 T HN 0.831 nan 8.240 nan 0.000 0.529 15 Q N 0.095 119.903 119.800 0.013 0.000 2.480 15 Q HA -0.260 4.081 4.340 0.002 0.000 0.265 15 Q C -0.265 175.755 176.000 0.033 0.000 1.072 15 Q CA 0.764 56.580 55.803 0.022 0.000 1.018 15 Q CB -1.267 27.482 28.738 0.018 0.000 1.433 15 Q HN 0.802 nan 8.270 nan 0.000 0.513 16 Q N -2.318 117.491 119.800 0.016 0.000 2.457 16 Q HA -0.248 4.094 4.340 0.002 0.000 0.283 16 Q C 0.560 176.574 176.000 0.023 0.000 1.234 16 Q CA 1.540 57.342 55.803 -0.002 0.000 0.877 16 Q CB -1.910 26.814 28.738 -0.023 0.000 1.250 16 Q HN 0.717 nan 8.270 nan 0.000 0.481 17 L N -1.254 119.993 121.223 0.042 0.000 2.217 17 L HA -0.158 4.183 4.340 0.002 0.000 0.211 17 L C 2.261 179.177 176.870 0.078 0.000 1.107 17 L CA 1.320 56.193 54.840 0.055 0.000 0.783 17 L CB -0.332 41.754 42.059 0.045 0.000 0.919 17 L HN 0.342 nan 8.230 nan 0.000 0.442 18 H N 0.465 119.514 119.070 -0.036 0.000 2.321 18 H HA -0.127 4.433 4.556 0.007 0.000 0.300 18 H C 2.151 177.433 175.328 -0.076 0.000 1.087 18 H CA 1.552 57.570 56.048 -0.049 0.000 1.319 18 H CB 0.033 29.758 29.762 -0.061 0.000 1.379 18 H HN 0.238 nan 8.280 nan 0.000 0.501 19 A N 0.850 123.538 122.820 -0.220 0.000 1.978 19 A HA -0.075 4.247 4.320 0.002 0.000 0.220 19 A C 2.618 180.117 177.584 -0.142 0.000 1.170 19 A CA 1.683 53.485 52.037 -0.392 0.000 0.636 19 A CB -1.292 17.318 19.000 -0.650 0.000 0.810 19 A HN 0.618 nan 8.150 nan 0.000 0.448 20 A N -0.697 122.135 122.820 0.021 0.000 1.978 20 A HA -0.110 4.211 4.320 0.002 0.000 0.220 20 A C 2.042 179.721 177.584 0.158 0.000 1.170 20 A CA 1.761 53.895 52.037 0.162 0.000 0.636 20 A CB -0.489 18.587 19.000 0.127 0.000 0.810 20 A HN 0.541 nan 8.150 nan 0.000 0.448 21 M N -0.222 119.406 119.600 0.046 0.000 2.494 21 M HA 0.229 4.710 4.480 0.002 0.000 0.232 21 M C 0.851 177.172 176.300 0.036 0.000 1.137 21 M CA -0.076 55.256 55.300 0.054 0.000 1.012 21 M CB -0.082 32.542 32.600 0.039 0.000 1.567 21 M HN 0.394 nan 8.290 nan 0.000 0.486 22 A N 0.705 123.515 122.820 -0.018 0.000 2.466 22 A HA 0.013 4.334 4.320 0.002 0.000 0.238 22 A C 0.676 178.372 177.584 0.186 0.000 1.074 22 A CA -0.058 51.958 52.037 -0.036 0.000 0.774 22 A CB 0.279 19.140 19.000 -0.232 0.000 1.015 22 A HN 0.277 nan 8.150 nan 0.000 0.498 23 D N -0.415 120.067 120.400 0.135 0.000 2.183 23 D HA 0.026 4.667 4.640 0.002 0.000 0.205 23 D C 1.014 177.464 176.300 0.250 0.000 0.962 23 D CA 1.939 56.043 54.000 0.174 0.000 0.849 23 D CB 0.118 40.974 40.800 0.094 0.000 0.978 23 D HN 0.766 nan 8.370 nan 0.000 0.488 24 T N -3.211 111.479 114.554 0.226 0.000 2.930 24 T HA 0.267 4.618 4.350 0.002 0.000 0.290 24 T C 0.775 175.678 174.700 0.337 0.000 1.052 24 T CA -0.848 61.415 62.100 0.271 0.000 1.017 24 T CB 1.468 70.431 68.868 0.158 0.000 1.137 24 T HN -0.157 nan 8.240 nan 0.000 0.511 25 F N 0.815 120.926 119.950 0.270 0.000 2.134 25 F HA 0.010 4.531 4.527 -0.009 0.000 0.299 25 F C 1.934 177.772 175.800 0.062 0.000 1.097 25 F CA 1.311 59.432 58.000 0.203 0.000 1.264 25 F CB -0.326 38.785 39.000 0.185 0.000 1.001 25 F HN 0.539 nan 8.300 nan 0.000 0.479 26 L N 0.716 122.045 121.223 0.177 0.000 2.012 26 L HA -0.215 4.126 4.340 0.002 0.000 0.210 26 L C 2.314 179.138 176.870 -0.077 0.000 1.073 26 L CA 2.231 57.099 54.840 0.047 0.000 0.748 26 L CB -1.198 40.909 42.059 0.080 0.000 0.891 26 L HN 0.312 nan 8.230 nan 0.000 0.431 27 E N -1.528 118.634 120.200 -0.064 0.000 2.058 27 E HA -0.359 3.992 4.350 0.002 0.000 0.194 27 E C 2.227 178.673 176.600 -0.257 0.000 0.997 27 E CA 1.537 57.862 56.400 -0.125 0.000 0.801 27 E CB -0.214 29.441 29.700 -0.076 0.000 0.746 27 E HN 0.741 nan 8.360 nan 0.000 0.450 28 H N 0.611 119.389 119.070 -0.488 0.000 2.289 28 H HA -0.116 4.444 4.556 0.007 0.000 0.296 28 H C 1.917 176.916 175.328 -0.548 0.000 1.091 28 H CA 2.406 58.015 56.048 -0.731 0.000 1.274 28 H CB 0.150 29.105 29.762 -1.344 0.000 1.364 28 H HN 0.019 nan 8.280 nan 0.000 0.490 29 K N -0.577 119.521 120.400 -0.503 0.000 2.032 29 K HA -0.143 4.178 4.320 0.002 0.000 0.209 29 K C 2.502 178.924 176.600 -0.297 0.000 1.048 29 K CA 1.456 57.503 56.287 -0.400 0.000 0.927 29 K CB -0.435 31.898 32.500 -0.278 0.000 0.712 29 K HN 0.344 nan 8.250 nan 0.000 0.441 30 C N 0.718 119.878 119.300 -0.233 0.000 2.419 30 C HA -0.035 4.426 4.460 0.002 0.000 0.283 30 C C 2.238 177.126 174.990 -0.170 0.000 1.373 30 C CA 0.527 59.449 59.018 -0.161 0.000 1.781 30 C CB -0.940 26.732 27.740 -0.114 0.000 1.886 30 C HN 0.368 nan 8.230 nan 0.000 0.520 31 R N -0.136 120.208 120.500 -0.260 0.000 2.317 31 R HA 0.226 4.567 4.340 0.002 0.000 0.208 31 R C 0.168 176.337 176.300 -0.218 0.000 0.914 31 R CA -0.092 55.871 56.100 -0.228 0.000 1.060 31 R CB -0.028 30.041 30.300 -0.386 0.000 1.015 31 R HN 0.479 nan 8.270 nan 0.000 0.498 32 L N 1.908 122.962 121.223 -0.281 0.000 2.499 32 L HA 0.005 4.346 4.340 0.002 0.000 0.273 32 L C -0.090 176.702 176.870 -0.129 0.000 1.195 32 L CA 0.353 55.051 54.840 -0.237 0.000 0.882 32 L CB 0.212 42.124 42.059 -0.246 0.000 1.133 32 L HN -0.047 nan 8.230 nan 0.000 0.483 33 D N 3.057 123.400 120.400 -0.094 0.000 2.620 33 D HA 0.209 4.850 4.640 0.002 0.000 0.252 33 D C 0.675 176.947 176.300 -0.046 0.000 1.207 33 D CA -0.583 53.384 54.000 -0.056 0.000 0.884 33 D CB 1.411 42.190 40.800 -0.034 0.000 1.262 33 D HN 0.443 nan 8.370 nan 0.000 0.552 34 I N -0.082 120.463 120.570 -0.041 0.000 2.916 34 I HA 0.021 4.193 4.170 0.002 0.000 0.267 34 I C 0.302 176.404 176.117 -0.025 0.000 1.263 34 I CA 0.823 62.103 61.300 -0.032 0.000 1.471 34 I CB 0.177 38.159 38.000 -0.029 0.000 1.089 34 I HN 0.050 nan 8.210 nan 0.000 0.468 35 D N 0.907 121.292 120.400 -0.025 0.000 2.369 35 D HA 0.085 4.726 4.640 0.002 0.000 0.211 35 D C 0.631 176.920 176.300 -0.018 0.000 1.077 35 D CA 0.324 54.312 54.000 -0.020 0.000 0.842 35 D CB 0.544 41.331 40.800 -0.022 0.000 0.947 35 D HN 0.248 nan 8.370 nan 0.000 0.509 36 S N 0.887 116.576 115.700 -0.019 0.000 2.400 36 S HA 0.492 4.963 4.470 0.002 0.000 0.295 36 S C 0.060 174.654 174.600 -0.010 0.000 1.113 36 S CA -0.655 57.537 58.200 -0.013 0.000 1.064 36 S CB 0.330 63.522 63.200 -0.013 0.000 0.990 36 S HN 0.175 nan 8.310 nan 0.000 0.502 37 A N 7.580 130.397 122.820 -0.005 0.000 2.440 37 A HA 0.565 4.886 4.320 0.002 0.000 0.251 37 A C -2.038 175.546 177.584 0.000 0.000 1.089 37 A CA -1.264 50.772 52.037 -0.002 0.000 0.779 37 A CB -0.110 18.891 19.000 0.002 0.000 1.022 37 A HN 0.700 nan 8.150 nan 0.000 0.492 38 P HA 0.293 nan 4.420 nan 0.000 0.274 38 P C 0.014 177.314 177.300 -0.000 0.000 1.256 38 P CA -0.228 62.870 63.100 -0.003 0.000 0.795 38 P CB 0.385 32.075 31.700 -0.017 0.000 1.038 39 I N -2.652 117.915 120.570 -0.005 0.000 3.079 39 I HA 0.193 4.364 4.170 0.002 0.000 0.295 39 I C 1.255 177.373 176.117 0.002 0.000 1.094 39 I CA -0.464 60.835 61.300 -0.002 0.000 1.295 39 I CB -0.489 37.499 38.000 -0.020 0.000 1.443 39 I HN 0.153 nan 8.210 nan 0.000 0.607 40 T N 1.989 116.564 114.554 0.036 0.000 2.777 40 T HA 0.037 4.388 4.350 0.002 0.000 0.266 40 T C 1.060 175.812 174.700 0.087 0.000 1.040 40 T CA 1.128 63.283 62.100 0.093 0.000 1.141 40 T CB -0.290 68.673 68.868 0.159 0.000 0.868 40 T HN 0.762 nan 8.240 nan 0.000 0.444 41 A N 2.117 124.890 122.820 -0.079 0.000 2.498 41 A HA 0.401 4.722 4.320 0.002 0.000 0.239 41 A C 0.591 178.095 177.584 -0.133 0.000 1.068 41 A CA -0.111 51.727 52.037 -0.331 0.000 0.766 41 A CB 0.148 18.615 19.000 -0.888 0.000 1.003 41 A HN 0.261 nan 8.150 nan 0.000 0.497 42 R N 2.361 122.845 120.500 -0.027 0.000 2.409 42 R HA 0.253 4.594 4.340 0.002 0.000 0.313 42 R C -0.419 175.924 176.300 0.073 0.000 0.953 42 R CA -0.286 55.816 56.100 0.004 0.000 0.849 42 R CB 0.725 31.032 30.300 0.012 0.000 1.171 42 R HN 0.970 nan 8.270 nan 0.000 0.458 43 N N 0.657 119.387 118.700 0.049 0.000 2.409 43 N HA -0.001 4.740 4.740 0.002 0.000 0.174 43 N C -0.386 175.194 175.510 0.117 0.000 1.037 43 N CA 0.429 53.534 53.050 0.091 0.000 0.898 43 N CB 0.462 38.997 38.487 0.080 0.000 1.010 43 N HN 0.424 nan 8.380 nan 0.000 0.445 44 T N 0.826 115.434 114.554 0.091 0.000 2.794 44 T HA 0.245 4.596 4.350 0.002 0.000 0.296 44 T C 0.639 175.395 174.700 0.093 0.000 0.949 44 T CA -0.550 61.599 62.100 0.081 0.000 1.101 44 T CB 1.242 70.141 68.868 0.052 0.000 0.905 44 T HN 0.122 nan 8.240 nan 0.000 0.516 45 G N 2.663 111.519 108.800 0.092 0.000 2.441 45 G HA2 0.458 4.419 3.960 0.002 0.000 0.243 45 G HA3 0.458 4.419 3.960 0.002 0.000 0.243 45 G C -0.378 174.549 174.900 0.045 0.000 1.281 45 G CA -0.499 44.649 45.100 0.081 0.000 0.854 45 G HN 0.760 nan 8.290 nan 0.000 0.560 46 I N 1.870 122.452 120.570 0.020 0.000 2.389 46 I HA 0.308 4.479 4.170 0.002 0.000 0.288 46 I C -0.209 175.912 176.117 0.007 0.000 0.999 46 I CA -0.426 60.887 61.300 0.021 0.000 1.129 46 I CB 1.704 39.724 38.000 0.033 0.000 1.288 46 I HN 0.220 nan 8.210 nan 0.000 0.444 47 I N 5.765 126.356 120.570 0.036 0.000 2.354 47 I HA 0.378 4.549 4.170 0.002 0.000 0.292 47 I C -0.683 175.479 176.117 0.074 0.000 0.989 47 I CA -0.413 60.930 61.300 0.071 0.000 1.188 47 I CB 1.462 39.536 38.000 0.123 0.000 1.342 47 I HN 0.509 nan 8.210 nan 0.000 0.457 48 C N 3.848 123.192 119.300 0.074 0.000 2.379 48 C HA 0.442 4.903 4.460 0.002 0.000 0.323 48 C C 0.557 175.603 174.990 0.093 0.000 1.262 48 C CA -0.598 58.463 59.018 0.072 0.000 1.581 48 C CB 1.266 29.036 27.740 0.050 0.000 2.221 48 C HN 0.676 nan 8.230 nan 0.000 0.497 49 T N 4.965 119.580 114.554 0.101 0.000 2.832 49 T HA 0.346 4.698 4.350 0.002 0.000 0.296 49 T C 0.211 174.974 174.700 0.104 0.000 0.968 49 T CA -0.056 62.115 62.100 0.118 0.000 1.107 49 T CB 0.117 69.061 68.868 0.126 0.000 0.916 49 T HN 0.361 nan 8.240 nan 0.000 0.517 50 I N 3.036 123.675 120.570 0.114 0.000 2.385 50 I HA 0.671 4.842 4.170 0.002 0.000 0.294 50 I C 0.895 177.086 176.117 0.124 0.000 0.988 50 I CA -0.235 61.125 61.300 0.099 0.000 1.265 50 I CB 0.778 38.827 38.000 0.083 0.000 1.388 50 I HN 0.817 nan 8.210 nan 0.000 0.480 51 G N 6.075 114.936 108.800 0.102 0.000 2.731 51 G HA2 0.459 4.420 3.960 0.002 0.000 0.309 51 G HA3 0.459 4.420 3.960 0.002 0.000 0.309 51 G C -2.629 172.329 174.900 0.096 0.000 1.273 51 G CA -0.384 44.792 45.100 0.127 0.000 0.798 51 G HN 0.259 nan 8.290 nan 0.000 0.509 52 P HA -0.034 nan 4.420 nan 0.000 0.217 52 P C 1.752 179.072 177.300 0.033 0.000 1.148 52 P CA 2.206 65.349 63.100 0.071 0.000 0.828 52 P CB 0.140 31.871 31.700 0.051 0.000 0.783 53 A N -0.740 122.096 122.820 0.027 0.000 2.119 53 A HA 0.016 4.337 4.320 0.002 0.000 0.216 53 A C 1.776 179.368 177.584 0.013 0.000 1.152 53 A CA 1.548 53.591 52.037 0.009 0.000 0.708 53 A CB -0.680 18.322 19.000 0.003 0.000 0.805 53 A HN 0.324 nan 8.150 nan 0.000 0.460 54 S N -1.387 114.328 115.700 0.024 0.000 2.893 54 S HA 0.101 4.572 4.470 0.002 0.000 0.258 54 S C 1.212 175.823 174.600 0.019 0.000 1.034 54 S CA 0.071 58.286 58.200 0.025 0.000 1.167 54 S CB -0.217 63.005 63.200 0.037 0.000 1.137 54 S HN 0.711 nan 8.310 nan 0.000 0.650 55 R N 1.908 122.412 120.500 0.007 0.000 2.300 55 R HA 0.220 4.561 4.340 0.002 0.000 0.199 55 R C 0.633 176.917 176.300 -0.026 0.000 0.920 55 R CA 0.525 56.614 56.100 -0.019 0.000 1.046 55 R CB -0.354 29.907 30.300 -0.065 0.000 0.984 55 R HN 0.380 nan 8.270 nan 0.000 0.493 56 S N 0.027 115.720 115.700 -0.013 0.000 2.576 56 S HA 0.095 4.566 4.470 0.002 0.000 0.276 56 S C 1.425 176.023 174.600 -0.002 0.000 1.339 56 S CA -0.715 57.477 58.200 -0.012 0.000 1.039 56 S CB 1.835 65.030 63.200 -0.007 0.000 0.902 56 S HN -0.026 nan 8.310 nan 0.000 0.516 57 V N 2.114 122.024 119.914 -0.006 0.000 2.332 57 V HA -0.193 3.929 4.120 0.002 0.000 0.248 57 V C 2.762 178.860 176.094 0.008 0.000 1.055 57 V CA 2.405 64.705 62.300 -0.000 0.000 1.038 57 V CB -1.226 30.589 31.823 -0.013 0.000 0.651 57 V HN 1.074 nan 8.190 nan 0.000 0.450 58 E N -0.044 120.158 120.200 0.003 0.000 2.038 58 E HA -0.246 4.105 4.350 0.002 0.000 0.195 58 E C 2.220 178.837 176.600 0.027 0.000 1.000 58 E CA 2.069 58.475 56.400 0.011 0.000 0.803 58 E CB -0.175 29.528 29.700 0.005 0.000 0.750 58 E HN 0.624 nan 8.360 nan 0.000 0.448 59 T N 1.310 115.878 114.554 0.023 0.000 2.777 59 T HA -0.103 4.248 4.350 0.002 0.000 0.266 59 T C 1.908 176.633 174.700 0.042 0.000 1.040 59 T CA 1.052 63.170 62.100 0.028 0.000 1.141 59 T CB -0.176 68.703 68.868 0.019 0.000 0.868 59 T HN 0.142 nan 8.240 nan 0.000 0.444 60 L N 0.459 121.708 121.223 0.043 0.000 2.083 60 L HA -0.115 4.227 4.340 0.002 0.000 0.209 60 L C 2.627 179.555 176.870 0.098 0.000 1.083 60 L CA 1.375 56.249 54.840 0.057 0.000 0.752 60 L CB -0.434 41.655 42.059 0.050 0.000 0.899 60 L HN 0.218 nan 8.230 nan 0.000 0.433 61 K N -0.409 120.065 120.400 0.122 0.000 2.063 61 K HA -0.175 4.146 4.320 0.002 0.000 0.208 61 K C 2.071 178.793 176.600 0.203 0.000 1.048 61 K CA 1.169 57.601 56.287 0.242 0.000 0.928 61 K CB -0.061 32.545 32.500 0.177 0.000 0.713 61 K HN 0.215 nan 8.250 nan 0.000 0.442 62 E N 0.546 120.813 120.200 0.113 0.000 2.150 62 E HA -0.112 4.239 4.350 0.002 0.000 0.193 62 E C 1.962 178.583 176.600 0.034 0.000 0.985 62 E CA 1.113 57.555 56.400 0.070 0.000 0.814 62 E CB -0.085 29.646 29.700 0.052 0.000 0.752 62 E HN 0.381 nan 8.360 nan 0.000 0.466 63 M N 0.038 119.660 119.600 0.036 0.000 2.132 63 M HA -0.102 4.379 4.480 0.002 0.000 0.263 63 M C 2.330 178.618 176.300 -0.020 0.000 1.065 63 M CA 1.175 56.482 55.300 0.013 0.000 1.122 63 M CB -0.294 32.319 32.600 0.022 0.000 1.365 63 M HN 0.040 nan 8.290 nan 0.000 0.411 64 I N 0.224 120.784 120.570 -0.017 0.000 2.179 64 I HA -0.313 3.858 4.170 0.002 0.000 0.242 64 I C 2.245 178.261 176.117 -0.168 0.000 1.088 64 I CA 1.504 62.746 61.300 -0.097 0.000 1.357 64 I CB -0.433 37.515 38.000 -0.088 0.000 1.051 64 I HN 0.252 nan 8.210 nan 0.000 0.409 65 K N 0.340 120.652 120.400 -0.147 0.000 2.147 65 K HA -0.099 4.222 4.320 0.002 0.000 0.205 65 K C 2.124 178.643 176.600 -0.134 0.000 1.049 65 K CA 1.457 57.646 56.287 -0.163 0.000 0.936 65 K CB -0.139 32.312 32.500 -0.083 0.000 0.722 65 K HN 0.167 nan 8.250 nan 0.000 0.446 66 S N -0.899 114.742 115.700 -0.098 0.000 2.489 66 S HA 0.040 4.512 4.470 0.002 0.000 0.228 66 S C 1.220 175.730 174.600 -0.151 0.000 0.995 66 S CA 0.885 59.022 58.200 -0.106 0.000 0.934 66 S CB 0.597 63.772 63.200 -0.042 0.000 0.771 66 S HN 0.624 nan 8.310 nan 0.000 0.522 67 G N 0.891 109.615 108.800 -0.127 0.000 2.370 67 G HA2 -0.162 3.799 3.960 0.002 0.000 0.174 67 G HA3 -0.162 3.799 3.960 0.002 0.000 0.174 67 G C 0.081 174.939 174.900 -0.071 0.000 1.002 67 G CA -0.252 44.785 45.100 -0.104 0.000 0.730 67 G HN 0.383 nan 8.290 nan 0.000 0.497 68 M N 1.255 120.811 119.600 -0.073 0.000 2.284 68 M HA 0.276 4.757 4.480 0.002 0.000 0.351 68 M C 0.975 177.178 176.300 -0.162 0.000 1.443 68 M CA 1.125 56.379 55.300 -0.076 0.000 1.031 68 M CB 0.095 32.669 32.600 -0.044 0.000 1.893 68 M HN 0.257 nan 8.290 nan 0.000 0.456 69 N N 2.607 121.176 118.700 -0.219 0.000 2.463 69 N HA 0.187 4.928 4.740 0.002 0.000 0.183 69 N C -1.056 174.242 175.510 -0.352 0.000 1.064 69 N CA -0.183 52.558 53.050 -0.514 0.000 0.879 69 N CB 0.979 39.032 38.487 -0.724 0.000 1.148 69 N HN 0.408 nan 8.380 nan 0.000 0.451 70 V N 0.803 120.641 119.914 -0.127 0.000 2.686 70 V HA 0.676 4.797 4.120 0.002 0.000 0.306 70 V C -1.000 175.108 176.094 0.023 0.000 1.065 70 V CA -1.202 61.093 62.300 -0.009 0.000 0.894 70 V CB 1.660 33.533 31.823 0.084 0.000 1.004 70 V HN 0.082 nan 8.190 nan 0.000 0.424 71 A N 4.602 127.437 122.820 0.025 0.000 2.260 71 A HA 0.733 5.054 4.320 0.002 0.000 0.308 71 A C -0.008 177.600 177.584 0.040 0.000 1.254 71 A CA -0.507 51.556 52.037 0.042 0.000 0.874 71 A CB 0.404 19.428 19.000 0.041 0.000 1.153 71 A HN 0.857 nan 8.150 nan 0.000 0.527 72 R N 3.927 124.474 120.500 0.078 0.000 2.294 72 R HA 0.506 4.848 4.340 0.002 0.000 0.319 72 R C -0.914 175.453 176.300 0.113 0.000 0.984 72 R CA -0.530 55.615 56.100 0.075 0.000 0.861 72 R CB 0.548 30.968 30.300 0.200 0.000 1.104 72 R HN 0.667 nan 8.270 nan 0.000 0.451 73 M N 3.811 123.476 119.600 0.109 0.000 2.088 73 M HA 0.189 4.670 4.480 0.002 0.000 0.346 73 M C -0.449 175.977 176.300 0.210 0.000 1.111 73 M CA -0.850 54.566 55.300 0.193 0.000 1.017 73 M CB 0.876 33.634 32.600 0.263 0.000 1.568 73 M HN 0.453 nan 8.290 nan 0.000 0.445 74 N N 2.749 121.578 118.700 0.215 0.000 2.437 74 N HA 0.224 4.965 4.740 0.002 0.000 0.243 74 N C -0.463 175.149 175.510 0.170 0.000 1.041 74 N CA -0.250 52.933 53.050 0.221 0.000 0.940 74 N CB 0.282 38.905 38.487 0.227 0.000 1.133 74 N HN 0.379 nan 8.380 nan 0.000 0.506 75 F N 1.341 121.250 119.950 -0.068 0.000 2.804 75 F HA 0.119 4.647 4.527 0.002 0.000 0.303 75 F C 2.078 177.870 175.800 -0.014 0.000 1.154 75 F CA 0.082 58.041 58.000 -0.069 0.000 1.401 75 F CB -0.053 38.873 39.000 -0.122 0.000 1.106 75 F HN 0.461 nan 8.300 nan 0.000 0.568 76 S N -1.360 114.363 115.700 0.038 0.000 2.419 76 S HA -0.123 4.348 4.470 0.002 0.000 0.233 76 S C 0.222 174.513 174.600 -0.514 0.000 1.016 76 S CA 1.082 59.140 58.200 -0.237 0.000 0.974 76 S CB -0.437 62.539 63.200 -0.373 0.000 0.786 76 S HN 0.443 nan 8.310 nan 0.000 0.492 77 H N -1.453 117.674 119.070 0.096 0.000 2.894 77 H HA 0.607 5.165 4.556 0.002 0.000 0.368 77 H C 0.236 175.563 175.328 -0.002 0.000 1.181 77 H CA -0.250 55.811 56.048 0.021 0.000 1.146 77 H CB 1.368 31.119 29.762 -0.018 0.000 1.839 77 H HN 0.215 nan 8.280 nan 0.000 0.557 78 G N 0.638 109.414 108.800 -0.040 0.000 2.721 78 G HA2 -0.045 3.916 3.960 0.002 0.000 0.686 78 G HA3 -0.045 3.916 3.960 0.002 0.000 0.686 78 G C -0.006 174.793 174.900 -0.168 0.000 1.236 78 G CA -0.497 44.419 45.100 -0.307 0.000 0.786 78 G HN 0.882 nan 8.290 nan 0.000 0.616 79 T N -1.073 113.378 114.554 -0.171 0.000 2.816 79 T HA 0.505 4.856 4.350 0.002 0.000 0.282 79 T C 1.385 176.098 174.700 0.021 0.000 0.993 79 T CA 0.551 62.615 62.100 -0.060 0.000 0.994 79 T CB 1.127 69.969 68.868 -0.042 0.000 1.025 79 T HN 0.680 nan 8.240 nan 0.000 0.529 80 H N 0.277 119.256 119.070 -0.151 0.000 2.352 80 H HA -0.104 4.453 4.556 0.002 0.000 0.299 80 H C 2.167 177.443 175.328 -0.087 0.000 1.097 80 H CA 1.630 57.469 56.048 -0.347 0.000 1.311 80 H CB 0.195 29.733 29.762 -0.375 0.000 1.377 80 H HN 0.731 nan 8.280 nan 0.000 0.504 81 E N 0.383 120.667 120.200 0.140 0.000 2.085 81 E HA -0.220 4.131 4.350 0.002 0.000 0.194 81 E C 1.870 178.533 176.600 0.106 0.000 0.994 81 E CA 1.181 57.663 56.400 0.138 0.000 0.801 81 E CB -0.339 29.421 29.700 0.099 0.000 0.743 81 E HN 0.494 nan 8.360 nan 0.000 0.453 82 Y N 0.816 121.062 120.300 -0.090 0.000 2.145 82 Y HA -0.271 4.280 4.550 0.002 0.000 0.286 82 Y C 2.262 178.050 175.900 -0.187 0.000 1.145 82 Y CA 1.951 59.938 58.100 -0.189 0.000 1.148 82 Y CB -0.045 38.211 38.460 -0.340 0.000 0.981 82 Y HN 0.180 nan 8.280 nan 0.000 0.507 83 H N -0.827 118.264 119.070 0.036 0.000 2.428 83 H HA 0.007 4.564 4.556 0.002 0.000 0.296 83 H C 2.327 177.771 175.328 0.193 0.000 1.062 83 H CA 1.042 57.102 56.048 0.019 0.000 1.350 83 H CB -0.631 29.043 29.762 -0.147 0.000 1.403 83 H HN 0.500 nan 8.280 nan 0.000 0.533 84 A N 1.122 124.196 122.820 0.423 0.000 1.908 84 A HA -0.219 4.102 4.320 0.002 0.000 0.218 84 A C 2.375 180.048 177.584 0.148 0.000 1.181 84 A CA 1.882 54.149 52.037 0.382 0.000 0.627 84 A CB -0.437 18.801 19.000 0.396 0.000 0.818 84 A HN 0.493 nan 8.150 nan 0.000 0.445 85 E N -0.841 119.388 120.200 0.050 0.000 2.072 85 E HA -0.143 4.208 4.350 0.002 0.000 0.191 85 E C 1.970 178.526 176.600 -0.073 0.000 0.985 85 E CA 1.609 57.986 56.400 -0.038 0.000 0.801 85 E CB -0.160 29.477 29.700 -0.105 0.000 0.750 85 E HN 0.558 nan 8.360 nan 0.000 0.452 86 T N 1.063 115.542 114.554 -0.125 0.000 2.708 86 T HA -0.154 4.198 4.350 0.002 0.000 0.266 86 T C 1.867 176.574 174.700 0.012 0.000 1.037 86 T CA 1.439 63.484 62.100 -0.092 0.000 1.146 86 T CB -0.225 68.591 68.868 -0.087 0.000 0.865 86 T HN 0.177 nan 8.240 nan 0.000 0.435 87 I N 0.861 121.475 120.570 0.074 0.000 2.163 87 I HA -0.203 3.969 4.170 0.002 0.000 0.243 87 I C 2.650 178.794 176.117 0.045 0.000 1.085 87 I CA 1.354 62.700 61.300 0.078 0.000 1.347 87 I CB -0.324 37.740 38.000 0.108 0.000 1.044 87 I HN 0.193 nan 8.210 nan 0.000 0.408 88 K N 0.964 121.386 120.400 0.036 0.000 2.044 88 K HA -0.250 4.071 4.320 0.002 0.000 0.210 88 K C 1.917 178.526 176.600 0.016 0.000 1.049 88 K CA 2.022 58.322 56.287 0.022 0.000 0.927 88 K CB -0.078 32.432 32.500 0.017 0.000 0.713 88 K HN 0.254 nan 8.250 nan 0.000 0.443 89 N N 0.406 119.108 118.700 0.004 0.000 2.166 89 N HA -0.129 4.612 4.740 0.002 0.000 0.186 89 N C 1.778 177.300 175.510 0.020 0.000 1.019 89 N CA 1.088 54.138 53.050 0.001 0.000 0.856 89 N CB -0.380 38.096 38.487 -0.020 0.000 0.993 89 N HN 0.004 nan 8.380 nan 0.000 0.426 90 V N 1.441 121.373 119.914 0.029 0.000 2.287 90 V HA -0.217 3.904 4.120 0.002 0.000 0.248 90 V C 2.244 178.374 176.094 0.061 0.000 1.053 90 V CA 1.622 63.950 62.300 0.046 0.000 1.027 90 V CB -0.352 31.500 31.823 0.048 0.000 0.646 90 V HN 0.297 nan 8.190 nan 0.000 0.447 91 R N -0.545 119.988 120.500 0.056 0.000 2.092 91 R HA -0.108 4.233 4.340 0.002 0.000 0.231 91 R C 2.387 178.727 176.300 0.066 0.000 1.119 91 R CA 1.748 57.889 56.100 0.070 0.000 0.970 91 R CB -0.681 29.653 30.300 0.057 0.000 0.864 91 R HN 0.489 nan 8.270 nan 0.000 0.440 92 T N 1.016 115.594 114.554 0.039 0.000 2.708 92 T HA -0.149 4.202 4.350 0.002 0.000 0.266 92 T C 1.978 176.685 174.700 0.012 0.000 1.037 92 T CA 1.518 63.629 62.100 0.017 0.000 1.146 92 T CB -0.234 68.634 68.868 0.000 0.000 0.865 92 T HN 0.382 nan 8.240 nan 0.000 0.435 93 A N 1.218 124.057 122.820 0.032 0.000 1.902 93 A HA -0.118 4.204 4.320 0.002 0.000 0.217 93 A C 2.567 180.233 177.584 0.137 0.000 1.181 93 A CA 2.086 54.151 52.037 0.046 0.000 0.623 93 A CB -1.229 17.823 19.000 0.086 0.000 0.818 93 A HN 0.475 nan 8.150 nan 0.000 0.443 94 T N 0.058 114.720 114.554 0.181 0.000 2.708 94 T HA -0.093 4.258 4.350 0.002 0.000 0.266 94 T C 1.670 176.601 174.700 0.385 0.000 1.037 94 T CA 1.486 63.753 62.100 0.278 0.000 1.146 94 T CB -0.221 68.759 68.868 0.186 0.000 0.865 94 T HN 0.434 nan 8.240 nan 0.000 0.435 95 E N 1.538 121.882 120.200 0.240 0.000 2.418 95 E HA -0.020 4.331 4.350 0.002 0.000 0.197 95 E C 2.444 179.089 176.600 0.076 0.000 1.026 95 E CA 0.587 57.102 56.400 0.191 0.000 0.862 95 E CB -0.462 29.296 29.700 0.097 0.000 0.799 95 E HN 0.646 nan 8.360 nan 0.000 0.518 96 S N -0.247 115.420 115.700 -0.053 0.000 2.469 96 S HA -0.104 4.367 4.470 0.002 0.000 0.238 96 S C 1.406 175.800 174.600 -0.342 0.000 0.998 96 S CA 0.578 58.614 58.200 -0.273 0.000 0.957 96 S CB -0.387 62.531 63.200 -0.470 0.000 0.764 96 S HN 0.136 nan 8.310 nan 0.000 0.514 97 F N 1.017 121.051 119.950 0.140 0.000 2.695 97 F HA 0.593 5.121 4.527 0.003 0.000 0.303 97 F C 2.244 178.184 175.800 0.232 0.000 1.091 97 F CA -0.347 57.758 58.000 0.175 0.000 1.300 97 F CB -0.331 38.776 39.000 0.179 0.000 1.071 97 F HN 0.270 nan 8.300 nan 0.000 0.578 98 A N -0.700 122.266 122.820 0.244 0.000 2.067 98 A HA -0.091 4.230 4.320 0.002 0.000 0.219 98 A C 2.269 179.790 177.584 -0.105 0.000 1.158 98 A CA 1.577 53.541 52.037 -0.122 0.000 0.661 98 A CB -0.683 18.155 19.000 -0.269 0.000 0.801 98 A HN 0.228 nan 8.150 nan 0.000 0.452 99 S N -0.186 115.513 115.700 -0.002 0.000 2.481 99 S HA -0.045 4.427 4.470 0.002 0.000 0.231 99 S C 0.524 175.135 174.600 0.019 0.000 0.996 99 S CA 0.510 58.706 58.200 -0.007 0.000 0.942 99 S CB -0.128 63.073 63.200 0.002 0.000 0.768 99 S HN 0.630 nan 8.310 nan 0.000 0.520 100 D N 1.286 121.728 120.400 0.070 0.000 2.454 100 D HA 0.220 4.861 4.640 0.002 0.000 0.225 100 D C -1.810 174.546 176.300 0.093 0.000 1.081 100 D CA -2.302 51.746 54.000 0.080 0.000 0.864 100 D CB 1.591 42.457 40.800 0.109 0.000 1.040 100 D HN 0.034 nan 8.370 nan 0.000 0.517 101 P HA -0.065 nan 4.420 nan 0.000 0.226 101 P C 1.455 178.806 177.300 0.085 0.000 1.153 101 P CA 0.239 63.373 63.100 0.057 0.000 0.777 101 P CB 0.656 32.369 31.700 0.021 0.000 0.794 102 I N -0.868 119.743 120.570 0.068 0.000 2.500 102 I HA -0.034 4.137 4.170 0.002 0.000 0.252 102 I C 2.266 178.420 176.117 0.062 0.000 1.142 102 I CA 1.022 62.353 61.300 0.052 0.000 1.451 102 I CB -1.061 36.952 38.000 0.021 0.000 1.093 102 I HN -0.013 nan 8.210 nan 0.000 0.430 103 L N -1.295 119.976 121.223 0.080 0.000 2.638 103 L HA 0.095 4.436 4.340 0.002 0.000 0.232 103 L C 0.624 177.534 176.870 0.067 0.000 1.099 103 L CA -0.253 54.621 54.840 0.057 0.000 0.883 103 L CB -0.166 41.911 42.059 0.032 0.000 1.136 103 L HN 0.054 nan 8.230 nan 0.000 0.492 104 Y N 3.137 123.443 120.300 0.011 0.000 2.721 104 Y HA 0.026 4.578 4.550 0.002 0.000 0.329 104 Y C 0.252 176.124 175.900 -0.047 0.000 1.211 104 Y CA -0.208 57.900 58.100 0.012 0.000 1.512 104 Y CB 0.281 38.760 38.460 0.031 0.000 1.249 104 Y HN -0.020 nan 8.280 nan 0.000 0.549 105 R N 7.830 127.903 120.500 -0.711 0.000 2.295 105 R HA 0.361 4.703 4.340 0.002 0.000 0.324 105 R C -2.725 173.038 176.300 -0.895 0.000 0.968 105 R CA -2.676 53.028 56.100 -0.660 0.000 0.837 105 R CB 0.689 30.733 30.300 -0.425 0.000 1.133 105 R HN 0.533 nan 8.270 nan 0.000 0.450 106 P HA 0.106 nan 4.420 nan 0.000 0.269 106 P C -0.558 176.737 177.300 -0.008 0.000 1.209 106 P CA -0.210 62.743 63.100 -0.244 0.000 0.776 106 P CB 0.715 32.379 31.700 -0.058 0.000 0.876 107 V N 2.078 122.004 119.914 0.020 0.000 2.525 107 V HA 0.590 4.711 4.120 0.002 0.000 0.299 107 V C 0.176 176.322 176.094 0.086 0.000 1.034 107 V CA -0.860 61.456 62.300 0.026 0.000 0.863 107 V CB 1.580 33.392 31.823 -0.020 0.000 0.999 107 V HN 0.681 nan 8.190 nan 0.000 0.423 108 A N 4.508 127.396 122.820 0.112 0.000 2.302 108 A HA 0.816 5.138 4.320 0.002 0.000 0.285 108 A C -0.476 177.133 177.584 0.042 0.000 1.105 108 A CA -0.412 51.687 52.037 0.103 0.000 0.816 108 A CB 1.112 20.203 19.000 0.152 0.000 1.067 108 A HN 0.711 nan 8.150 nan 0.000 0.489 109 V N 1.066 120.990 119.914 0.016 0.000 2.448 109 V HA 0.643 4.764 4.120 0.002 0.000 0.295 109 V C 0.317 176.351 176.094 -0.099 0.000 1.025 109 V CA -0.095 62.194 62.300 -0.019 0.000 0.859 109 V CB 1.194 33.017 31.823 -0.001 0.000 0.988 109 V HN 1.198 nan 8.190 nan 0.000 0.431 110 A N 5.259 127.970 122.820 -0.182 0.000 2.355 110 A HA 0.861 5.182 4.320 0.002 0.000 0.317 110 A C -1.040 176.316 177.584 -0.381 0.000 1.094 110 A CA -0.562 51.202 52.037 -0.454 0.000 0.764 110 A CB 1.365 19.793 19.000 -0.953 0.000 1.230 110 A HN 0.889 nan 8.150 nan 0.000 0.448 111 L N 2.480 123.462 121.223 -0.402 0.000 2.280 111 L HA 0.428 4.769 4.340 0.002 0.000 0.287 111 L C -0.917 175.782 176.870 -0.285 0.000 1.023 111 L CA -0.509 54.154 54.840 -0.294 0.000 0.819 111 L CB 0.992 42.824 42.059 -0.379 0.000 1.212 111 L HN 0.727 nan 8.230 nan 0.000 0.420 112 D N 4.035 124.383 120.400 -0.087 0.000 2.329 112 D HA 0.164 4.805 4.640 0.002 0.000 0.232 112 D C -0.190 176.150 176.300 0.067 0.000 1.088 112 D CA -0.186 53.850 54.000 0.060 0.000 0.835 112 D CB 1.484 42.404 40.800 0.201 0.000 1.078 112 D HN 0.612 nan 8.370 nan 0.000 0.495 113 T N 0.992 115.560 114.554 0.024 0.000 2.898 113 T HA 0.092 4.443 4.350 0.002 0.000 0.301 113 T C 1.326 176.083 174.700 0.096 0.000 1.049 113 T CA -0.449 61.668 62.100 0.029 0.000 1.095 113 T CB 1.987 70.861 68.868 0.010 0.000 0.976 113 T HN 0.437 nan 8.240 nan 0.000 0.539 114 K N 1.887 122.361 120.400 0.123 0.000 2.002 114 K HA 0.126 4.447 4.320 0.002 0.000 0.209 114 K C 1.293 177.998 176.600 0.174 0.000 1.048 114 K CA 1.297 57.659 56.287 0.124 0.000 0.930 114 K CB -1.125 31.437 32.500 0.103 0.000 0.714 114 K HN 1.158 nan 8.250 nan 0.000 0.438 115 G N 0.227 109.118 108.800 0.151 0.000 2.750 115 G HA2 -0.205 3.757 3.960 0.002 0.000 0.228 115 G HA3 -0.205 3.757 3.960 0.002 0.000 0.228 115 G C -2.420 172.563 174.900 0.138 0.000 1.367 115 G CA -0.165 45.054 45.100 0.199 0.000 0.871 115 G HN 0.293 nan 8.290 nan 0.000 0.560 116 P HA 0.203 nan 4.420 nan 0.000 0.231 116 P C 0.043 177.120 177.300 -0.372 0.000 1.756 116 P CA 0.328 63.331 63.100 -0.160 0.000 0.990 116 P CB -0.285 31.290 31.700 -0.209 0.000 1.973 117 E N 1.051 121.145 120.200 -0.177 0.000 2.366 117 E HA 0.273 4.625 4.350 0.002 0.000 0.266 117 E C 0.247 176.736 176.600 -0.185 0.000 1.051 117 E CA -0.525 55.768 56.400 -0.178 0.000 0.884 117 E CB 0.911 30.625 29.700 0.023 0.000 1.006 117 E HN 0.337 nan 8.360 nan 0.000 0.417 118 I N 2.975 123.433 120.570 -0.187 0.000 2.359 118 I HA 0.359 4.530 4.170 0.002 0.000 0.294 118 I C 0.270 176.369 176.117 -0.030 0.000 0.987 118 I CA -0.430 60.800 61.300 -0.117 0.000 1.225 118 I CB 1.018 38.943 38.000 -0.125 0.000 1.366 118 I HN 0.254 nan 8.210 nan 0.000 0.466 119 R N 2.847 123.345 120.500 -0.003 0.000 2.771 119 R HA 0.514 4.856 4.340 0.002 0.000 0.274 119 R C -0.477 175.863 176.300 0.066 0.000 0.987 119 R CA -0.792 55.343 56.100 0.057 0.000 0.908 119 R CB 2.545 32.907 30.300 0.104 0.000 1.213 119 R HN 0.738 nan 8.270 nan 0.000 0.468 120 T N -1.370 113.257 114.554 0.121 0.000 2.770 120 T HA 0.449 4.800 4.350 0.002 0.000 0.281 120 T C 0.866 175.779 174.700 0.355 0.000 0.981 120 T CA -0.451 61.759 62.100 0.183 0.000 0.955 120 T CB 1.165 70.125 68.868 0.153 0.000 1.060 120 T HN 0.602 nan 8.240 nan 0.000 0.531 121 G N -0.529 108.561 108.800 0.483 0.000 2.574 121 G HA2 0.542 4.503 3.960 0.002 0.000 0.248 121 G HA3 0.542 4.503 3.960 0.002 0.000 0.248 121 G C -0.922 174.094 174.900 0.193 0.000 1.422 121 G CA -1.021 44.327 45.100 0.412 0.000 1.051 121 G HN 0.663 nan 8.290 nan 0.000 0.560 122 L N 0.615 121.895 121.223 0.095 0.000 2.312 122 L HA 0.332 4.673 4.340 0.002 0.000 0.281 122 L C 0.640 177.550 176.870 0.066 0.000 1.070 122 L CA -0.431 54.446 54.840 0.061 0.000 0.805 122 L CB 1.339 43.406 42.059 0.013 0.000 1.174 122 L HN 0.227 nan 8.230 nan 0.000 0.434 130 E N -0.054 120.207 120.200 0.102 0.000 2.359 130 E HA 0.717 5.068 4.350 0.002 0.000 0.266 130 E C -1.398 175.316 176.600 0.190 0.000 0.920 130 E CA -1.037 55.464 56.400 0.167 0.000 0.788 130 E CB 2.762 32.599 29.700 0.229 0.000 1.279 130 E HN 0.421 nan 8.360 nan 0.000 0.438 131 V N 1.373 121.390 119.914 0.171 0.000 2.638 131 V HA 0.168 4.289 4.120 0.002 0.000 0.306 131 V C -0.807 175.236 176.094 -0.086 0.000 1.052 131 V CA -0.648 61.688 62.300 0.060 0.000 0.885 131 V CB 1.971 33.815 31.823 0.034 0.000 0.999 131 V HN 0.639 nan 8.190 nan 0.000 0.424 132 E N 4.758 124.788 120.200 -0.283 0.000 2.152 132 E HA 0.366 4.717 4.350 0.002 0.000 0.285 132 E C -1.298 175.135 176.600 -0.278 0.000 1.043 132 E CA -0.639 55.422 56.400 -0.565 0.000 0.839 132 E CB 0.801 30.008 29.700 -0.822 0.000 1.069 132 E HN 0.370 nan 8.360 nan 0.000 0.399 133 L N 5.693 126.784 121.223 -0.220 0.000 2.264 133 L HA 0.327 4.668 4.340 0.002 0.000 0.289 133 L C 0.158 176.952 176.870 -0.127 0.000 1.044 133 L CA -0.259 54.504 54.840 -0.128 0.000 0.807 133 L CB 0.710 42.724 42.059 -0.076 0.000 1.192 133 L HN 0.597 nan 8.230 nan 0.000 0.425 134 K N 1.714 122.053 120.400 -0.102 0.000 2.118 134 K HA 0.501 4.822 4.320 0.002 0.000 0.254 134 K C -0.328 176.240 176.600 -0.054 0.000 0.961 134 K CA -1.146 55.093 56.287 -0.081 0.000 0.876 134 K CB 1.749 34.203 32.500 -0.076 0.000 1.077 134 K HN 0.168 nan 8.250 nan 0.000 0.440 135 K N 0.565 120.941 120.400 -0.039 0.000 2.472 135 K HA 0.072 4.393 4.320 0.002 0.000 0.280 135 K C 0.803 177.386 176.600 -0.028 0.000 1.028 135 K CA 1.562 57.831 56.287 -0.029 0.000 1.045 135 K CB -0.183 32.306 32.500 -0.019 0.000 0.902 135 K HN 0.863 nan 8.250 nan 0.000 0.478 136 G N 2.217 111.000 108.800 -0.028 0.000 2.284 136 G HA2 -0.279 3.682 3.960 0.002 0.000 0.230 136 G HA3 -0.279 3.682 3.960 0.002 0.000 0.230 136 G C 0.321 175.205 174.900 -0.027 0.000 1.021 136 G CA 0.041 45.126 45.100 -0.025 0.000 0.619 136 G HN 1.073 nan 8.290 nan 0.000 0.510 137 A N 0.522 123.323 122.820 -0.032 0.000 2.531 137 A HA 0.547 4.868 4.320 0.002 0.000 0.236 137 A C 0.794 178.359 177.584 -0.032 0.000 1.062 137 A CA 1.673 53.690 52.037 -0.034 0.000 0.760 137 A CB 0.217 19.192 19.000 -0.042 0.000 0.995 137 A HN 1.302 nan 8.150 nan 0.000 0.501 138 T N 1.978 116.515 114.554 -0.029 0.000 2.897 138 T HA 0.500 4.851 4.350 0.002 0.000 0.294 138 T C -0.444 174.240 174.700 -0.028 0.000 1.004 138 T CA -0.162 61.923 62.100 -0.025 0.000 1.106 138 T CB -0.173 68.682 68.868 -0.021 0.000 0.949 138 T HN 0.522 nan 8.240 nan 0.000 0.520 139 L N 4.688 125.897 121.223 -0.023 0.000 2.439 139 L HA 0.532 4.874 4.340 0.002 0.000 0.270 139 L C -0.469 176.394 176.870 -0.011 0.000 0.972 139 L CA -0.852 53.975 54.840 -0.022 0.000 0.836 139 L CB 1.797 43.842 42.059 -0.024 0.000 1.255 139 L HN 0.604 nan 8.230 nan 0.000 0.404 140 K N 5.407 125.796 120.400 -0.018 0.000 2.227 140 K HA 0.497 4.818 4.320 0.002 0.000 0.280 140 K C -0.948 175.655 176.600 0.005 0.000 1.041 140 K CA -0.501 55.785 56.287 -0.001 0.000 0.905 140 K CB 1.023 33.491 32.500 -0.052 0.000 1.068 140 K HN 0.558 nan 8.250 nan 0.000 0.470 141 I N 3.396 123.988 120.570 0.036 0.000 2.315 141 I HA 0.109 4.280 4.170 0.002 0.000 0.291 141 I C 0.364 176.509 176.117 0.046 0.000 1.006 141 I CA -0.295 61.017 61.300 0.019 0.000 1.265 141 I CB 1.801 39.794 38.000 -0.011 0.000 1.387 141 I HN 0.590 nan 8.210 nan 0.000 0.475 142 T N 5.990 120.566 114.554 0.037 0.000 2.932 142 T HA 0.612 4.963 4.350 0.002 0.000 0.289 142 T C 0.469 175.199 174.700 0.050 0.000 1.039 142 T CA -0.487 61.663 62.100 0.083 0.000 1.024 142 T CB 1.214 70.122 68.868 0.068 0.000 1.090 142 T HN 0.495 nan 8.240 nan 0.000 0.496 143 L N 1.179 122.466 121.223 0.107 0.000 2.858 143 L HA 0.391 4.732 4.340 0.002 0.000 0.251 143 L C 0.437 177.533 176.870 0.378 0.000 1.149 143 L CA -0.312 54.563 54.840 0.059 0.000 0.955 143 L CB 0.428 42.473 42.059 -0.023 0.000 1.289 143 L HN 0.512 nan 8.230 nan 0.000 0.542 144 D N 1.212 121.882 120.400 0.451 0.000 2.358 144 D HA -0.008 4.633 4.640 0.002 0.000 0.258 144 D C 0.809 177.364 176.300 0.425 0.000 1.223 144 D CA 0.370 54.622 54.000 0.421 0.000 0.886 144 D CB 0.665 41.736 40.800 0.450 0.000 1.120 144 D HN 0.159 nan 8.370 nan 0.000 0.482 145 N N 2.383 121.230 118.700 0.245 0.000 2.519 145 N HA -0.160 4.581 4.740 0.002 0.000 0.186 145 N C 1.412 176.784 175.510 -0.231 0.000 1.062 145 N CA 0.539 53.582 53.050 -0.011 0.000 0.910 145 N CB 0.187 38.688 38.487 0.022 0.000 0.958 145 N HN 0.432 nan 8.380 nan 0.000 0.445 146 A N -0.082 122.604 122.820 -0.223 0.000 2.172 146 A HA -0.091 4.231 4.320 0.002 0.000 0.216 146 A C 0.678 177.874 177.584 -0.648 0.000 1.154 146 A CA 0.914 52.675 52.037 -0.460 0.000 0.701 146 A CB -0.296 18.357 19.000 -0.579 0.000 0.789 146 A HN 0.377 nan 8.150 nan 0.000 0.465 147 Y N -1.810 118.397 120.300 -0.154 0.000 2.584 147 Y HA 0.304 4.856 4.550 0.002 0.000 0.254 147 Y C 1.845 177.562 175.900 -0.305 0.000 1.177 147 Y CA -0.405 57.622 58.100 -0.121 0.000 1.216 147 Y CB -0.369 38.123 38.460 0.053 0.000 1.172 147 Y HN 0.156 nan 8.280 nan 0.000 0.529 148 M N -0.040 119.172 119.600 -0.646 0.000 2.089 148 M HA -0.268 4.213 4.480 0.002 0.000 0.257 148 M C 0.852 176.919 176.300 -0.387 0.000 1.071 148 M CA 2.076 56.769 55.300 -1.012 0.000 1.096 148 M CB -0.124 31.869 32.600 -1.011 0.000 1.330 148 M HN 0.278 nan 8.290 nan 0.000 0.403 149 E N -0.771 119.290 120.200 -0.231 0.000 2.558 149 E HA 0.089 4.440 4.350 0.002 0.000 0.205 149 E C 0.012 176.594 176.600 -0.030 0.000 1.006 149 E CA -0.010 56.329 56.400 -0.102 0.000 0.961 149 E CB 0.453 30.089 29.700 -0.106 0.000 1.044 149 E HN 0.352 nan 8.360 nan 0.000 0.465 150 K N 0.675 121.084 120.400 0.016 0.000 2.896 150 K HA 0.242 4.563 4.320 0.002 0.000 0.210 150 K C -0.674 176.010 176.600 0.140 0.000 1.116 150 K CA -0.302 56.038 56.287 0.087 0.000 1.050 150 K CB 0.530 33.106 32.500 0.127 0.000 0.812 150 K HN 0.031 nan 8.250 nan 0.000 0.462 151 C N 2.566 121.938 119.300 0.120 0.000 2.585 151 C HA 0.206 4.667 4.460 0.002 0.000 0.406 151 C C 0.637 175.676 174.990 0.082 0.000 1.312 151 C CA -0.439 58.653 59.018 0.124 0.000 1.924 151 C CB -0.592 27.237 27.740 0.147 0.000 2.578 151 C HN 0.660 nan 8.230 nan 0.000 0.580 152 D N 0.840 121.276 120.400 0.059 0.000 2.958 152 D HA 0.264 4.905 4.640 0.002 0.000 0.306 152 D C 0.337 176.647 176.300 0.016 0.000 1.226 152 D CA -0.619 53.403 54.000 0.036 0.000 1.032 152 D CB 0.082 40.900 40.800 0.030 0.000 1.400 152 D HN 0.298 nan 8.370 nan 0.000 0.587 153 E N -0.593 119.607 120.200 -0.000 0.000 2.204 153 E HA -0.041 4.311 4.350 0.002 0.000 0.195 153 E C 0.877 177.463 176.600 -0.023 0.000 0.990 153 E CA 1.506 57.895 56.400 -0.019 0.000 0.821 153 E CB -0.458 29.224 29.700 -0.030 0.000 0.750 153 E HN 0.485 nan 8.360 nan 0.000 0.477 154 N N -0.610 118.076 118.700 -0.024 0.000 2.414 154 N HA 0.222 4.963 4.740 0.002 0.000 0.177 154 N C -0.340 175.141 175.510 -0.049 0.000 1.062 154 N CA 0.181 53.208 53.050 -0.037 0.000 0.890 154 N CB 0.869 39.330 38.487 -0.043 0.000 1.070 154 N HN 0.015 nan 8.380 nan 0.000 0.454 155 I N 1.194 121.738 120.570 -0.043 0.000 2.478 155 I HA 0.315 4.486 4.170 0.002 0.000 0.287 155 I C -1.588 174.534 176.117 0.008 0.000 1.042 155 I CA -0.801 60.461 61.300 -0.064 0.000 1.067 155 I CB 2.315 40.215 38.000 -0.166 0.000 1.233 155 I HN -0.107 nan 8.210 nan 0.000 0.431 156 L N 6.652 127.895 121.223 0.033 0.000 2.356 156 L HA 0.537 4.879 4.340 0.002 0.000 0.277 156 L C -1.411 175.554 176.870 0.158 0.000 0.996 156 L CA -0.264 54.634 54.840 0.098 0.000 0.822 156 L CB 1.602 43.697 42.059 0.060 0.000 1.256 156 L HN 0.654 nan 8.230 nan 0.000 0.413 157 W N 7.250 128.578 121.300 0.046 0.000 2.417 157 W HA 0.628 5.290 4.660 0.002 0.000 0.317 157 W C -1.363 175.196 176.519 0.066 0.000 1.121 157 W CA -0.560 56.827 57.345 0.070 0.000 1.208 157 W CB 1.202 30.729 29.460 0.111 0.000 1.253 157 W HN 0.494 nan 8.180 nan 0.000 0.533 158 L N 2.788 123.565 121.223 -0.743 0.000 2.327 158 L HA 0.596 4.938 4.340 0.002 0.000 0.258 158 L C 0.152 176.141 176.870 -1.469 0.000 1.024 158 L CA -0.837 53.507 54.840 -0.826 0.000 0.825 158 L CB 1.605 43.478 42.059 -0.310 0.000 1.386 158 L HN 0.498 nan 8.230 nan 0.000 0.417 159 D N -1.403 118.470 120.400 -0.878 0.000 2.328 159 D HA 0.000 4.641 4.640 0.002 0.000 0.221 159 D C -0.027 176.181 176.300 -0.154 0.000 1.072 159 D CA 0.225 53.891 54.000 -0.558 0.000 0.850 159 D CB -0.225 40.524 40.800 -0.085 0.000 0.922 159 D HN 0.489 nan 8.370 nan 0.000 0.516 160 Y N 2.572 122.693 120.300 -0.298 0.000 2.650 160 Y HA 0.255 4.806 4.550 0.002 0.000 0.343 160 Y C 0.954 176.759 175.900 -0.159 0.000 1.078 160 Y CA -1.532 56.461 58.100 -0.179 0.000 1.356 160 Y CB 0.534 38.901 38.460 -0.155 0.000 1.204 160 Y HN -0.269 nan 8.280 nan 0.000 0.508 161 K N 2.487 122.822 120.400 -0.107 0.000 2.211 161 K HA -0.146 4.175 4.320 0.002 0.000 0.204 161 K C 0.537 176.938 176.600 -0.331 0.000 1.047 161 K CA 0.892 57.075 56.287 -0.173 0.000 0.935 161 K CB 0.140 32.616 32.500 -0.041 0.000 0.728 161 K HN 0.524 nan 8.250 nan 0.000 0.452 162 N N 1.105 119.446 118.700 -0.597 0.000 2.268 162 N HA 0.082 4.823 4.740 0.002 0.000 0.204 162 N C 1.328 176.333 175.510 -0.841 0.000 1.124 162 N CA -0.044 52.655 53.050 -0.586 0.000 0.838 162 N CB 0.018 38.326 38.487 -0.298 0.000 0.994 162 N HN 0.182 nan 8.380 nan 0.000 0.489 163 I N -0.105 119.827 120.570 -1.064 0.000 2.248 163 I HA -0.371 3.800 4.170 0.002 0.000 0.248 163 I C 1.384 177.310 176.117 -0.319 0.000 1.107 163 I CA 1.233 62.123 61.300 -0.684 0.000 1.373 163 I CB 0.141 37.912 38.000 -0.382 0.000 1.055 163 I HN 0.154 nan 8.210 nan 0.000 0.418 164 C N 1.289 120.420 119.300 -0.280 0.000 2.435 164 C HA -0.071 4.390 4.460 0.002 0.000 0.279 164 C C 2.345 177.239 174.990 -0.160 0.000 1.321 164 C CA 0.396 59.294 59.018 -0.201 0.000 1.752 164 C CB -1.048 26.571 27.740 -0.203 0.000 1.959 164 C HN 0.468 nan 8.230 nan 0.000 0.500 165 K N 0.539 120.841 120.400 -0.163 0.000 2.486 165 K HA 0.099 4.421 4.320 0.002 0.000 0.194 165 K C 1.388 177.945 176.600 -0.071 0.000 1.033 165 K CA 0.640 56.863 56.287 -0.106 0.000 1.004 165 K CB -0.183 32.260 32.500 -0.094 0.000 0.798 165 K HN 0.430 nan 8.250 nan 0.000 0.495 166 V N 0.687 120.556 119.914 -0.074 0.000 3.539 166 V HA 0.012 4.133 4.120 0.002 0.000 0.262 166 V C 0.420 176.508 176.094 -0.011 0.000 1.381 166 V CA -0.008 62.284 62.300 -0.013 0.000 1.060 166 V CB 1.264 33.124 31.823 0.062 0.000 0.842 166 V HN 0.094 nan 8.190 nan 0.000 0.445 167 V N -1.256 118.634 119.914 -0.039 0.000 2.834 167 V HA 0.724 4.846 4.120 0.002 0.000 0.313 167 V C -0.751 175.312 176.094 -0.052 0.000 1.060 167 V CA -0.518 61.761 62.300 -0.036 0.000 0.989 167 V CB 1.785 33.583 31.823 -0.041 0.000 1.041 167 V HN 0.303 nan 8.190 nan 0.000 0.459 168 D N 0.430 120.804 120.400 -0.043 0.000 2.553 168 D HA 0.596 5.237 4.640 0.002 0.000 0.249 168 D C -0.765 175.505 176.300 -0.050 0.000 1.062 168 D CA -0.609 53.362 54.000 -0.048 0.000 1.085 168 D CB 1.807 42.586 40.800 -0.035 0.000 1.350 168 D HN 0.593 nan 8.370 nan 0.000 0.575 169 V N 0.804 120.688 119.914 -0.049 0.000 2.585 169 V HA 0.399 4.520 4.120 0.002 0.000 0.296 169 V C 1.460 177.533 176.094 -0.034 0.000 1.035 169 V CA 1.360 63.633 62.300 -0.044 0.000 1.084 169 V CB 0.279 32.077 31.823 -0.041 0.000 0.953 169 V HN 0.931 nan 8.190 nan 0.000 0.483 170 G N 3.811 112.591 108.800 -0.034 0.000 2.213 170 G HA2 -0.242 3.719 3.960 0.002 0.000 0.236 170 G HA3 -0.242 3.719 3.960 0.002 0.000 0.236 170 G C 0.444 175.327 174.900 -0.028 0.000 0.991 170 G CA 0.098 45.181 45.100 -0.028 0.000 0.629 170 G HN 0.728 nan 8.290 nan 0.000 0.517 171 S N 1.310 116.992 115.700 -0.030 0.000 2.568 171 S HA 0.413 4.885 4.470 0.002 0.000 0.282 171 S C 0.469 175.045 174.600 -0.041 0.000 1.338 171 S CA 0.255 58.441 58.200 -0.023 0.000 1.045 171 S CB 0.969 64.156 63.200 -0.021 0.000 0.873 171 S HN 0.483 nan 8.310 nan 0.000 0.516 172 K N 1.537 121.918 120.400 -0.031 0.000 2.138 172 K HA 0.549 4.870 4.320 0.002 0.000 0.263 172 K C -1.157 175.371 176.600 -0.120 0.000 0.965 172 K CA -0.641 55.574 56.287 -0.119 0.000 0.868 172 K CB 1.458 33.883 32.500 -0.125 0.000 1.083 172 K HN 0.271 nan 8.250 nan 0.000 0.443 173 V N 3.833 123.601 119.914 -0.243 0.000 2.444 173 V HA 0.293 4.415 4.120 0.002 0.000 0.294 173 V C -1.197 174.728 176.094 -0.283 0.000 1.022 173 V CA -0.917 61.298 62.300 -0.141 0.000 0.850 173 V CB 0.633 32.408 31.823 -0.080 0.000 0.992 173 V HN 0.590 nan 8.190 nan 0.000 0.426 174 Y N 3.203 123.510 120.300 0.013 0.000 2.360 174 Y HA 0.728 5.280 4.550 0.003 0.000 0.337 174 Y C 0.093 176.009 175.900 0.026 0.000 1.039 174 Y CA -0.784 57.329 58.100 0.021 0.000 1.109 174 Y CB 2.047 40.523 38.460 0.026 0.000 1.201 174 Y HN 0.379 nan 8.280 nan 0.000 0.458 175 V N 1.917 121.926 119.914 0.158 0.000 2.789 175 V HA 0.331 4.452 4.120 0.002 0.000 0.311 175 V C -0.818 175.350 176.094 0.123 0.000 1.073 175 V CA -1.265 61.103 62.300 0.113 0.000 0.921 175 V CB 1.746 33.610 31.823 0.068 0.000 1.009 175 V HN 0.818 nan 8.190 nan 0.000 0.426 176 D N 3.643 124.111 120.400 0.114 0.000 3.187 176 D HA -0.148 4.493 4.640 0.002 0.000 0.244 176 D C 0.231 176.597 176.300 0.109 0.000 1.114 176 D CA 1.134 55.199 54.000 0.109 0.000 0.920 176 D CB -0.836 40.025 40.800 0.102 0.000 0.970 176 D HN 0.905 nan 8.370 nan 0.000 0.418 177 D N 0.292 120.757 120.400 0.108 0.000 2.870 177 D HA -0.158 4.483 4.640 0.002 0.000 0.228 177 D C 1.248 177.599 176.300 0.085 0.000 1.147 177 D CA 2.237 56.291 54.000 0.091 0.000 0.757 177 D CB -1.514 39.334 40.800 0.080 0.000 1.091 177 D HN 1.246 nan 8.370 nan 0.000 0.429 178 G N -0.946 107.926 108.800 0.121 0.000 2.155 178 G HA2 -0.387 3.575 3.960 0.002 0.000 0.257 178 G HA3 -0.387 3.575 3.960 0.002 0.000 0.257 178 G C 1.115 176.136 174.900 0.203 0.000 0.983 178 G CA 0.692 45.880 45.100 0.148 0.000 0.676 178 G HN 0.508 nan 8.290 nan 0.000 0.528 179 L N -0.591 120.725 121.223 0.155 0.000 2.179 179 L HA 0.337 4.678 4.340 0.002 0.000 0.208 179 L C 1.544 178.492 176.870 0.130 0.000 1.096 179 L CA 0.706 55.623 54.840 0.129 0.000 0.779 179 L CB 0.005 42.125 42.059 0.101 0.000 0.922 179 L HN 0.294 nan 8.230 nan 0.000 0.443 180 I N -0.193 120.452 120.570 0.125 0.000 2.359 180 I HA 0.168 4.339 4.170 0.002 0.000 0.294 180 I C 0.010 176.147 176.117 0.033 0.000 0.987 180 I CA -0.214 61.127 61.300 0.069 0.000 1.225 180 I CB 1.534 39.562 38.000 0.045 0.000 1.366 180 I HN 0.027 nan 8.210 nan 0.000 0.466 181 S N 7.163 122.824 115.700 -0.064 0.000 2.513 181 S HA 0.855 5.326 4.470 0.002 0.000 0.299 181 S C -0.875 173.586 174.600 -0.232 0.000 1.087 181 S CA -0.865 57.153 58.200 -0.302 0.000 1.012 181 S CB 1.739 64.702 63.200 -0.396 0.000 1.044 181 S HN 0.464 nan 8.310 nan 0.000 0.485 182 L N 1.700 122.752 121.223 -0.285 0.000 2.401 182 L HA 0.607 4.948 4.340 0.002 0.000 0.266 182 L C -0.433 176.331 176.870 -0.177 0.000 0.991 182 L CA -0.711 54.026 54.840 -0.172 0.000 0.818 182 L CB 2.125 44.114 42.059 -0.117 0.000 1.321 182 L HN 0.740 nan 8.230 nan 0.000 0.413 183 Q N 1.614 121.345 119.800 -0.115 0.000 2.322 183 Q HA 0.459 4.800 4.340 0.002 0.000 0.265 183 Q C -1.185 174.777 176.000 -0.063 0.000 0.985 183 Q CA -0.742 55.007 55.803 -0.090 0.000 0.849 183 Q CB 2.264 30.960 28.738 -0.069 0.000 1.274 183 Q HN 0.510 nan 8.270 nan 0.000 0.449 184 V N 5.644 125.523 119.914 -0.059 0.000 2.485 184 V HA -0.025 4.097 4.120 0.002 0.000 0.287 184 V C 0.805 176.876 176.094 -0.039 0.000 1.022 184 V CA 0.379 62.649 62.300 -0.049 0.000 1.067 184 V CB 0.704 32.493 31.823 -0.056 0.000 0.967 184 V HN 0.816 nan 8.190 nan 0.000 0.479 185 K N 3.018 123.401 120.400 -0.028 0.000 2.262 185 K HA 0.224 4.545 4.320 0.002 0.000 0.200 185 K C 0.581 177.170 176.600 -0.019 0.000 1.058 185 K CA 0.566 56.842 56.287 -0.019 0.000 0.974 185 K CB 0.522 33.017 32.500 -0.008 0.000 0.910 185 K HN 0.698 nan 8.250 nan 0.000 0.484 186 Q N 0.296 120.085 119.800 -0.018 0.000 2.418 186 Q HA 0.286 4.628 4.340 0.002 0.000 0.282 186 Q C -1.254 174.674 176.000 -0.119 0.000 1.044 186 Q CA -0.430 55.348 55.803 -0.040 0.000 0.813 186 Q CB 2.360 31.106 28.738 0.013 0.000 1.428 186 Q HN -0.106 nan 8.270 nan 0.000 0.402 191 F N -0.439 119.482 119.950 -0.048 0.000 2.662 191 F HA 0.764 5.292 4.527 0.002 0.000 0.312 191 F C -2.108 173.656 175.800 -0.061 0.000 1.113 191 F CA -1.086 56.882 58.000 -0.053 0.000 0.951 191 F CB 1.353 40.328 39.000 -0.043 0.000 1.344 191 F HN -0.270 nan 8.300 nan 0.000 0.462 192 L N 3.125 124.408 121.223 0.100 0.000 2.438 192 L HA 0.606 4.947 4.340 0.002 0.000 0.270 192 L C -1.098 175.861 176.870 0.149 0.000 0.972 192 L CA -1.233 53.607 54.840 0.000 0.000 0.831 192 L CB 1.950 43.976 42.059 -0.055 0.000 1.273 192 L HN 0.769 nan 8.230 nan 0.000 0.405 193 V N 3.260 123.267 119.914 0.155 0.000 2.383 193 V HA 0.675 4.796 4.120 0.002 0.000 0.275 193 V C 0.190 176.304 176.094 0.033 0.000 1.036 193 V CA 0.223 62.593 62.300 0.116 0.000 0.889 193 V CB 1.603 33.516 31.823 0.149 0.000 0.985 193 V HN 0.912 nan 8.190 nan 0.000 0.459 194 T N 2.655 117.214 114.554 0.010 0.000 2.926 194 T HA 0.631 4.982 4.350 0.002 0.000 0.289 194 T C -0.653 174.033 174.700 -0.024 0.000 1.054 194 T CA -0.727 61.362 62.100 -0.019 0.000 1.015 194 T CB 1.964 70.812 68.868 -0.035 0.000 1.167 194 T HN 0.795 nan 8.240 nan 0.000 0.526 195 E N 0.860 121.038 120.200 -0.036 0.000 2.187 195 E HA 0.525 4.876 4.350 0.002 0.000 0.268 195 E C -0.994 175.577 176.600 -0.050 0.000 0.896 195 E CA -0.971 55.407 56.400 -0.037 0.000 0.766 195 E CB 1.759 31.440 29.700 -0.032 0.000 1.142 195 E HN 0.562 nan 8.360 nan 0.000 0.408 196 V N 5.320 125.207 119.914 -0.046 0.000 2.485 196 V HA -0.023 4.098 4.120 0.002 0.000 0.287 196 V C 0.837 176.902 176.094 -0.048 0.000 1.022 196 V CA 0.693 62.962 62.300 -0.052 0.000 1.067 196 V CB 0.781 32.575 31.823 -0.047 0.000 0.967 196 V HN 0.838 nan 8.190 nan 0.000 0.479 197 E N 3.226 123.392 120.200 -0.058 0.000 2.067 197 E HA 0.111 4.462 4.350 0.002 0.000 0.194 197 E C 0.205 176.790 176.600 -0.025 0.000 0.950 197 E CA 0.048 56.422 56.400 -0.044 0.000 0.872 197 E CB 0.175 29.841 29.700 -0.058 0.000 0.877 197 E HN 0.601 nan 8.360 nan 0.000 0.470 198 N N 1.735 120.422 118.700 -0.021 0.000 2.437 198 N HA 0.170 4.911 4.740 0.002 0.000 0.243 198 N C -0.168 175.342 175.510 -0.001 0.000 1.041 198 N CA 0.076 53.131 53.050 0.007 0.000 0.940 198 N CB 1.448 39.961 38.487 0.043 0.000 1.133 198 N HN 0.107 nan 8.380 nan 0.000 0.506 199 G N 0.093 108.888 108.800 -0.007 0.000 2.588 199 G HA2 0.676 4.637 3.960 0.002 0.000 0.281 199 G HA3 0.676 4.637 3.960 0.002 0.000 0.281 199 G C 0.126 175.020 174.900 -0.009 0.000 1.236 199 G CA -0.223 44.861 45.100 -0.025 0.000 0.969 199 G HN 0.620 nan 8.290 nan 0.000 0.504 200 G N -2.104 106.670 108.800 -0.044 0.000 2.321 200 G HA2 0.378 4.339 3.960 0.002 0.000 0.298 200 G HA3 0.378 4.339 3.960 0.002 0.000 0.298 200 G C -1.300 173.565 174.900 -0.058 0.000 1.385 200 G CA -1.100 43.999 45.100 -0.002 0.000 0.856 200 G HN 0.475 nan 8.290 nan 0.000 0.584 201 F N 0.101 120.067 119.950 0.026 0.000 2.472 201 F HA 0.514 5.042 4.527 0.002 0.000 0.364 201 F C 0.605 176.423 175.800 0.031 0.000 1.090 201 F CA -0.178 57.837 58.000 0.026 0.000 1.188 201 F CB 1.423 40.436 39.000 0.023 0.000 1.105 201 F HN 0.339 nan 8.300 nan 0.000 0.536 202 L N 4.609 125.931 121.223 0.165 0.000 2.296 202 L HA 0.703 5.044 4.340 0.002 0.000 0.286 202 L C 0.129 177.078 176.870 0.131 0.000 1.023 202 L CA -0.007 54.907 54.840 0.123 0.000 0.812 202 L CB 0.866 42.969 42.059 0.074 0.000 1.223 202 L HN 0.586 nan 8.230 nan 0.000 0.421 203 G N 2.601 111.470 108.800 0.116 0.000 2.606 203 G HA2 0.489 4.450 3.960 0.002 0.000 0.262 203 G HA3 0.489 4.450 3.960 0.002 0.000 0.262 203 G C -0.856 174.099 174.900 0.091 0.000 1.394 203 G CA -0.610 44.547 45.100 0.095 0.000 1.044 203 G HN 0.617 nan 8.290 nan 0.000 0.553 204 S N -0.318 115.430 115.700 0.079 0.000 2.585 204 S HA 0.368 4.839 4.470 0.002 0.000 0.277 204 S C -0.195 174.467 174.600 0.102 0.000 1.241 204 S CA -0.488 57.765 58.200 0.088 0.000 1.041 204 S CB 1.123 64.363 63.200 0.066 0.000 0.987 204 S HN 0.551 nan 8.310 nan 0.000 0.512 205 K N 0.428 120.908 120.400 0.133 0.000 3.257 205 K HA -0.157 4.165 4.320 0.002 0.000 0.270 205 K C -0.649 176.042 176.600 0.152 0.000 0.984 205 K CA 0.496 56.877 56.287 0.156 0.000 0.739 205 K CB -1.131 31.462 32.500 0.156 0.000 1.351 205 K HN 0.301 nan 8.250 nan 0.000 0.463 206 K N 0.527 121.007 120.400 0.134 0.000 2.098 206 K HA 0.305 4.626 4.320 0.002 0.000 0.261 206 K C 0.914 177.585 176.600 0.120 0.000 0.987 206 K CA -0.165 56.198 56.287 0.126 0.000 0.916 206 K CB 1.135 33.700 32.500 0.110 0.000 1.039 206 K HN 0.329 nan 8.250 nan 0.000 0.455 207 G N 0.383 109.257 108.800 0.123 0.000 2.442 207 G HA2 0.368 4.329 3.960 0.002 0.000 0.249 207 G HA3 0.368 4.329 3.960 0.002 0.000 0.249 207 G C -0.595 174.360 174.900 0.093 0.000 1.263 207 G CA -0.397 44.768 45.100 0.109 0.000 0.846 207 G HN 0.220 nan 8.290 nan 0.000 0.555 208 V N 3.223 123.174 119.914 0.062 0.000 2.555 208 V HA 0.417 4.538 4.120 0.002 0.000 0.302 208 V C -0.261 175.860 176.094 0.044 0.000 1.038 208 V CA -1.048 61.287 62.300 0.059 0.000 0.887 208 V CB 1.795 33.637 31.823 0.031 0.000 0.991 208 V HN 0.767 nan 8.190 nan 0.000 0.434 209 N N 4.169 122.928 118.700 0.097 0.000 2.269 209 N HA 0.606 5.347 4.740 0.002 0.000 0.304 209 N C -1.312 174.277 175.510 0.132 0.000 1.072 209 N CA -0.576 52.525 53.050 0.085 0.000 0.802 209 N CB 2.875 41.418 38.487 0.094 0.000 1.348 209 N HN 0.466 nan 8.380 nan 0.000 0.484 210 L N 2.427 123.694 121.223 0.074 0.000 2.502 210 L HA 0.383 4.724 4.340 0.002 0.000 0.247 210 L C -2.473 174.442 176.870 0.075 0.000 1.180 210 L CA -1.661 53.233 54.840 0.090 0.000 0.956 210 L CB 0.882 42.978 42.059 0.062 0.000 1.282 210 L HN 0.168 nan 8.230 nan 0.000 0.470 211 P HA 0.142 nan 4.420 nan 0.000 0.268 211 P C 1.054 178.379 177.300 0.041 0.000 1.204 211 P CA 0.529 63.664 63.100 0.058 0.000 0.768 211 P CB 1.086 32.816 31.700 0.051 0.000 0.842 212 G N 1.405 110.207 108.800 0.003 0.000 2.184 212 G HA2 -0.161 3.800 3.960 0.002 0.000 0.264 212 G HA3 -0.161 3.800 3.960 0.002 0.000 0.264 212 G C 0.359 175.256 174.900 -0.004 0.000 0.975 212 G CA 0.100 45.187 45.100 -0.020 0.000 0.642 212 G HN 0.874 nan 8.290 nan 0.000 0.536 213 A N -0.168 122.660 122.820 0.014 0.000 2.303 213 A HA 0.890 5.211 4.320 0.002 0.000 0.317 213 A C 0.640 178.235 177.584 0.019 0.000 1.149 213 A CA 0.603 52.653 52.037 0.021 0.000 0.822 213 A CB 1.277 20.301 19.000 0.040 0.000 1.131 213 A HN 1.921 nan 8.150 nan 0.000 0.493 214 A N 2.588 125.422 122.820 0.024 0.000 3.004 214 A HA 0.500 4.821 4.320 0.002 0.000 0.286 214 A C 0.118 177.723 177.584 0.034 0.000 1.632 214 A CA -0.300 51.750 52.037 0.023 0.000 1.339 214 A CB -0.970 18.043 19.000 0.021 0.000 1.136 214 A HN 0.843 nan 8.150 nan 0.000 0.577 215 V N 2.619 122.533 119.914 0.000 0.000 2.599 215 V HA 0.018 4.140 4.120 0.002 0.000 0.300 215 V C 0.757 176.824 176.094 -0.046 0.000 1.034 215 V CA 0.800 63.072 62.300 -0.047 0.000 1.115 215 V CB 0.690 32.368 31.823 -0.242 0.000 0.934 215 V HN 0.915 nan 8.190 nan 0.000 0.485 216 D N 3.583 124.003 120.400 0.033 0.000 2.559 216 D HA 0.173 4.814 4.640 0.002 0.000 0.234 216 D C 0.107 176.418 176.300 0.019 0.000 1.226 216 D CA -0.351 53.675 54.000 0.043 0.000 0.830 216 D CB -0.053 40.802 40.800 0.091 0.000 1.028 216 D HN 0.402 nan 8.370 nan 0.000 0.492 217 L N 1.143 122.303 121.223 -0.105 0.000 2.452 217 L HA 0.288 4.629 4.340 0.002 0.000 0.267 217 L C -1.566 175.272 176.870 -0.054 0.000 1.188 217 L CA -1.587 53.191 54.840 -0.103 0.000 0.821 217 L CB 0.171 42.075 42.059 -0.258 0.000 1.102 217 L HN -0.039 nan 8.230 nan 0.000 0.470 218 P HA 0.019 nan 4.420 nan 0.000 0.268 218 P C 0.033 177.334 177.300 0.001 0.000 1.205 218 P CA -0.230 62.870 63.100 0.001 0.000 0.771 218 P CB 1.061 32.770 31.700 0.016 0.000 0.858 219 A N 3.521 126.349 122.820 0.014 0.000 1.940 219 A HA -0.051 4.270 4.320 0.002 0.000 0.219 219 A C 0.965 178.572 177.584 0.038 0.000 1.176 219 A CA 1.466 53.520 52.037 0.029 0.000 0.631 219 A CB -0.518 18.499 19.000 0.028 0.000 0.814 219 A HN 0.449 nan 8.150 nan 0.000 0.446 220 V N 1.008 120.941 119.914 0.031 0.000 2.419 220 V HA 0.370 4.491 4.120 0.002 0.000 0.287 220 V C 0.144 176.258 176.094 0.033 0.000 1.017 220 V CA -0.281 62.039 62.300 0.034 0.000 0.844 220 V CB 1.135 32.976 31.823 0.030 0.000 1.011 220 V HN 0.542 nan 8.190 nan 0.000 0.429 221 S N 3.234 118.956 115.700 0.037 0.000 2.655 221 S HA 0.364 4.835 4.470 0.002 0.000 0.265 221 S C 0.974 175.600 174.600 0.044 0.000 1.240 221 S CA -0.460 57.763 58.200 0.038 0.000 0.986 221 S CB 1.278 64.501 63.200 0.039 0.000 0.985 221 S HN 0.578 nan 8.310 nan 0.000 0.562 222 E N 0.964 121.190 120.200 0.044 0.000 2.097 222 E HA -0.177 4.174 4.350 0.002 0.000 0.196 222 E C 1.810 178.444 176.600 0.056 0.000 1.000 222 E CA 1.291 57.719 56.400 0.047 0.000 0.804 222 E CB -0.403 29.323 29.700 0.043 0.000 0.740 222 E HN 0.756 nan 8.360 nan 0.000 0.454 223 K N 0.787 121.222 120.400 0.059 0.000 2.026 223 K HA -0.170 4.151 4.320 0.002 0.000 0.208 223 K C 1.449 178.105 176.600 0.093 0.000 1.048 223 K CA 1.548 57.879 56.287 0.074 0.000 0.929 223 K CB 0.003 32.547 32.500 0.073 0.000 0.713 223 K HN -0.034 nan 8.250 nan 0.000 0.439 224 D N 1.017 121.461 120.400 0.073 0.000 2.123 224 D HA -0.159 4.483 4.640 0.002 0.000 0.196 224 D C 2.033 178.361 176.300 0.047 0.000 0.992 224 D CA 1.071 55.105 54.000 0.056 0.000 0.833 224 D CB -0.241 40.586 40.800 0.044 0.000 0.954 224 D HN 0.313 nan 8.370 nan 0.000 0.455 225 I N 0.930 121.532 120.570 0.054 0.000 2.163 225 I HA -0.285 3.886 4.170 0.002 0.000 0.243 225 I C 2.405 178.570 176.117 0.080 0.000 1.085 225 I CA 1.082 62.414 61.300 0.053 0.000 1.347 225 I CB -0.161 37.870 38.000 0.051 0.000 1.044 225 I HN -0.059 nan 8.210 nan 0.000 0.408 226 Q N 0.290 120.159 119.800 0.116 0.000 2.167 226 Q HA -0.173 4.168 4.340 0.002 0.000 0.202 226 Q C 1.744 177.913 176.000 0.282 0.000 0.970 226 Q CA 1.300 57.221 55.803 0.196 0.000 0.855 226 Q CB -0.414 28.434 28.738 0.183 0.000 0.911 226 Q HN 0.527 nan 8.270 nan 0.000 0.438 227 D N 0.266 120.788 120.400 0.204 0.000 2.123 227 D HA -0.065 4.576 4.640 0.002 0.000 0.200 227 D C 2.114 178.359 176.300 -0.092 0.000 0.976 227 D CA 0.623 54.658 54.000 0.058 0.000 0.831 227 D CB -0.120 40.664 40.800 -0.027 0.000 0.974 227 D HN 0.188 nan 8.370 nan 0.000 0.469 228 L N 0.580 121.771 121.223 -0.054 0.000 2.056 228 L HA -0.124 4.217 4.340 0.002 0.000 0.207 228 L C 2.327 179.180 176.870 -0.029 0.000 1.078 228 L CA 1.098 55.895 54.840 -0.071 0.000 0.749 228 L CB -0.238 41.796 42.059 -0.041 0.000 0.901 228 L HN -0.051 nan 8.230 nan 0.000 0.433 229 K N -0.455 119.962 120.400 0.029 0.000 2.057 229 K HA -0.218 4.103 4.320 0.002 0.000 0.207 229 K C 2.080 178.706 176.600 0.043 0.000 1.049 229 K CA 1.609 57.921 56.287 0.042 0.000 0.931 229 K CB -0.334 32.213 32.500 0.078 0.000 0.714 229 K HN 0.110 nan 8.250 nan 0.000 0.440 230 F N 1.519 121.410 119.950 -0.098 0.000 2.126 230 F HA -0.159 4.369 4.527 0.002 0.000 0.299 230 F C 2.105 177.807 175.800 -0.164 0.000 1.096 230 F CA 1.842 59.739 58.000 -0.172 0.000 1.255 230 F CB -0.662 38.065 39.000 -0.456 0.000 0.997 230 F HN 0.010 nan 8.300 nan 0.000 0.479 231 G N -0.006 108.716 108.800 -0.130 0.000 2.440 231 G HA2 -0.226 3.736 3.960 0.002 0.000 0.218 231 G HA3 -0.226 3.736 3.960 0.002 0.000 0.218 231 G C 1.716 176.492 174.900 -0.207 0.000 1.154 231 G CA 1.244 46.213 45.100 -0.218 0.000 0.767 231 G HN 0.363 nan 8.290 nan 0.000 0.552 232 V N 0.761 120.589 119.914 -0.143 0.000 2.295 232 V HA -0.121 4.000 4.120 0.002 0.000 0.246 232 V C 2.761 178.773 176.094 -0.136 0.000 1.049 232 V CA 1.935 64.170 62.300 -0.108 0.000 1.024 232 V CB -0.333 31.453 31.823 -0.061 0.000 0.648 232 V HN 0.275 nan 8.190 nan 0.000 0.447 233 E N -0.157 119.940 120.200 -0.172 0.000 2.204 233 E HA -0.154 4.198 4.350 0.002 0.000 0.194 233 E C 2.163 178.612 176.600 -0.251 0.000 0.989 233 E CA 0.761 57.053 56.400 -0.179 0.000 0.824 233 E CB -0.187 29.421 29.700 -0.153 0.000 0.756 233 E HN 0.584 nan 8.360 nan 0.000 0.477 234 Q N 0.286 119.855 119.800 -0.385 0.000 2.360 234 Q HA -0.018 4.323 4.340 0.002 0.000 0.202 234 Q C -0.174 175.709 176.000 -0.195 0.000 0.915 234 Q CA 0.172 55.760 55.803 -0.359 0.000 0.943 234 Q CB 0.249 28.641 28.738 -0.577 0.000 1.064 234 Q HN 0.139 nan 8.270 nan 0.000 0.511 235 D N 0.266 120.573 120.400 -0.155 0.000 2.746 235 D HA -0.142 4.499 4.640 0.002 0.000 0.236 235 D C -0.178 176.077 176.300 -0.075 0.000 1.129 235 D CA 0.583 54.528 54.000 -0.091 0.000 0.691 235 D CB -1.354 39.409 40.800 -0.062 0.000 1.077 235 D HN 0.160 nan 8.370 nan 0.000 0.432 236 V N -2.658 117.195 119.914 -0.102 0.000 3.096 236 V HA 0.234 4.355 4.120 0.002 0.000 0.306 236 V C 1.435 177.494 176.094 -0.058 0.000 1.088 236 V CA 0.469 62.718 62.300 -0.085 0.000 1.129 236 V CB 1.169 32.919 31.823 -0.122 0.000 1.014 236 V HN 0.056 nan 8.190 nan 0.000 0.486 237 D N 2.488 122.861 120.400 -0.044 0.000 2.271 237 D HA 0.159 4.800 4.640 0.002 0.000 0.206 237 D C 0.653 176.942 176.300 -0.018 0.000 0.967 237 D CA 1.544 55.538 54.000 -0.009 0.000 0.867 237 D CB 0.432 41.248 40.800 0.026 0.000 0.960 237 D HN 0.834 nan 8.370 nan 0.000 0.509 238 M N -1.433 118.121 119.600 -0.077 0.000 2.562 238 M HA 0.429 4.910 4.480 0.002 0.000 0.281 238 M C -1.989 174.192 176.300 -0.198 0.000 1.195 238 M CA -0.853 54.399 55.300 -0.080 0.000 0.888 238 M CB 2.753 35.350 32.600 -0.004 0.000 1.731 238 M HN -0.427 nan 8.290 nan 0.000 0.493 239 V N 2.518 122.365 119.914 -0.113 0.000 2.495 239 V HA 0.580 4.701 4.120 0.002 0.000 0.298 239 V C -1.286 174.853 176.094 0.076 0.000 1.031 239 V CA -0.362 61.861 62.300 -0.128 0.000 0.871 239 V CB 1.891 33.666 31.823 -0.079 0.000 0.988 239 V HN 0.679 nan 8.190 nan 0.000 0.432 240 F N 3.464 123.384 119.950 -0.051 0.000 2.334 240 F HA 0.654 5.182 4.527 0.003 0.000 0.367 240 F C 0.665 176.427 175.800 -0.063 0.000 1.115 240 F CA -1.571 56.398 58.000 -0.053 0.000 1.116 240 F CB 0.982 39.957 39.000 -0.042 0.000 1.230 240 F HN 0.501 nan 8.300 nan 0.000 0.484 241 A N 2.746 125.632 122.820 0.110 0.000 2.269 241 A HA 0.559 4.880 4.320 0.002 0.000 0.302 241 A C 0.334 177.914 177.584 -0.005 0.000 1.266 241 A CA -0.386 51.673 52.037 0.037 0.000 0.894 241 A CB 0.057 19.066 19.000 0.016 0.000 1.147 241 A HN 0.592 nan 8.150 nan 0.000 0.537 242 S N 1.416 117.105 115.700 -0.018 0.000 2.565 242 S HA 0.445 4.916 4.470 0.002 0.000 0.276 242 S C -0.132 174.448 174.600 -0.033 0.000 1.326 242 S CA -0.024 58.079 58.200 -0.161 0.000 1.045 242 S CB -0.310 62.790 63.200 -0.166 0.000 0.918 242 S HN 0.813 nan 8.310 nan 0.000 0.505 243 F N -0.337 119.613 119.950 -0.000 0.000 3.080 243 F HA -0.158 4.370 4.527 0.002 0.000 0.292 243 F C 0.175 175.967 175.800 -0.014 0.000 0.891 243 F CA -0.288 57.706 58.000 -0.011 0.000 1.086 243 F CB -1.784 37.203 39.000 -0.021 0.000 1.095 243 F HN 0.396 nan 8.300 nan 0.000 0.633 244 I N 1.049 121.665 120.570 0.076 0.000 2.598 244 I HA 0.019 4.191 4.170 0.002 0.000 0.284 244 I C 1.495 177.639 176.117 0.046 0.000 1.140 244 I CA 0.578 61.903 61.300 0.041 0.000 1.420 244 I CB 0.975 38.970 38.000 -0.010 0.000 1.387 244 I HN 0.352 nan 8.210 nan 0.000 0.553 245 R N 4.948 125.471 120.500 0.038 0.000 2.307 245 R HA 0.162 4.503 4.340 0.002 0.000 0.200 245 R C -0.150 176.156 176.300 0.010 0.000 0.893 245 R CA 0.176 56.297 56.100 0.036 0.000 1.042 245 R CB 0.603 30.928 30.300 0.042 0.000 1.059 245 R HN 0.656 nan 8.270 nan 0.000 0.530 246 K N -2.774 117.619 120.400 -0.012 0.000 2.658 246 K HA 0.455 4.777 4.320 0.002 0.000 0.293 246 K C -0.154 176.408 176.600 -0.063 0.000 1.026 246 K CA -0.298 55.973 56.287 -0.028 0.000 0.871 246 K CB 0.765 33.263 32.500 -0.004 0.000 1.524 246 K HN -0.167 nan 8.250 nan 0.000 0.400 247 A N 0.967 123.743 122.820 -0.072 0.000 1.908 247 A HA -0.119 4.202 4.320 0.002 0.000 0.218 247 A C 2.282 179.793 177.584 -0.122 0.000 1.181 247 A CA 2.457 54.411 52.037 -0.138 0.000 0.627 247 A CB -1.206 17.768 19.000 -0.043 0.000 0.818 247 A HN 0.858 nan 8.150 nan 0.000 0.445 248 A N 0.086 122.926 122.820 0.035 0.000 1.940 248 A HA -0.230 4.091 4.320 0.002 0.000 0.219 248 A C 1.719 179.324 177.584 0.035 0.000 1.176 248 A CA 2.037 54.134 52.037 0.100 0.000 0.631 248 A CB -0.624 18.421 19.000 0.076 0.000 0.814 248 A HN 0.491 nan 8.150 nan 0.000 0.446 249 D N -0.269 120.123 120.400 -0.012 0.000 2.117 249 D HA -0.101 4.540 4.640 0.002 0.000 0.197 249 D C 2.060 178.333 176.300 -0.046 0.000 0.987 249 D CA 1.460 55.453 54.000 -0.013 0.000 0.829 249 D CB -0.498 40.298 40.800 -0.007 0.000 0.961 249 D HN 0.255 nan 8.370 nan 0.000 0.460 250 V N 0.607 120.439 119.914 -0.136 0.000 2.343 250 V HA -0.247 3.874 4.120 0.002 0.000 0.247 250 V C 1.952 177.950 176.094 -0.161 0.000 1.051 250 V CA 1.742 63.927 62.300 -0.192 0.000 1.036 250 V CB -0.767 30.861 31.823 -0.325 0.000 0.654 250 V HN 0.311 nan 8.190 nan 0.000 0.451 251 H N -0.172 118.892 119.070 -0.009 0.000 2.457 251 H HA -0.089 4.468 4.556 0.002 0.000 0.294 251 H C 2.385 177.712 175.328 -0.002 0.000 1.064 251 H CA 1.330 57.374 56.048 -0.007 0.000 1.330 251 H CB 0.115 29.872 29.762 -0.008 0.000 1.395 251 H HN 0.522 nan 8.280 nan 0.000 0.541 252 E N 0.315 120.571 120.200 0.093 0.000 2.072 252 E HA -0.129 4.222 4.350 0.002 0.000 0.191 252 E C 2.304 178.928 176.600 0.040 0.000 0.985 252 E CA 1.169 57.605 56.400 0.059 0.000 0.801 252 E CB 0.054 29.779 29.700 0.042 0.000 0.750 252 E HN 0.249 nan 8.360 nan 0.000 0.452 253 V N 1.307 121.234 119.914 0.023 0.000 2.295 253 V HA -0.264 3.857 4.120 0.002 0.000 0.246 253 V C 2.425 178.529 176.094 0.017 0.000 1.049 253 V CA 1.978 64.285 62.300 0.011 0.000 1.024 253 V CB -0.474 31.347 31.823 -0.004 0.000 0.648 253 V HN 0.127 nan 8.190 nan 0.000 0.447 254 R N 0.749 121.267 120.500 0.031 0.000 2.091 254 R HA -0.193 4.148 4.340 0.002 0.000 0.238 254 R C 2.294 178.619 176.300 0.041 0.000 1.136 254 R CA 2.013 58.139 56.100 0.043 0.000 0.959 254 R CB -0.477 29.875 30.300 0.086 0.000 0.856 254 R HN 0.494 nan 8.270 nan 0.000 0.437 255 K N -0.268 120.161 120.400 0.048 0.000 2.097 255 K HA -0.087 4.235 4.320 0.002 0.000 0.206 255 K C 1.763 178.378 176.600 0.024 0.000 1.049 255 K CA 1.300 57.608 56.287 0.035 0.000 0.933 255 K CB -0.004 32.518 32.500 0.037 0.000 0.717 255 K HN 0.126 nan 8.250 nan 0.000 0.442 256 I N 1.568 122.151 120.570 0.023 0.000 2.179 256 I HA -0.259 3.913 4.170 0.002 0.000 0.242 256 I C 2.191 178.314 176.117 0.010 0.000 1.088 256 I CA 1.315 62.626 61.300 0.017 0.000 1.357 256 I CB -1.035 36.975 38.000 0.016 0.000 1.051 256 I HN 0.247 nan 8.210 nan 0.000 0.409 257 L N 0.172 121.398 121.223 0.004 0.000 2.079 257 L HA -0.062 4.279 4.340 0.002 0.000 0.210 257 L C 1.576 178.447 176.870 0.001 0.000 1.081 257 L CA 1.004 55.841 54.840 -0.004 0.000 0.752 257 L CB -1.082 40.972 42.059 -0.008 0.000 0.896 257 L HN 0.495 nan 8.230 nan 0.000 0.433 258 G N 0.165 108.971 108.800 0.009 0.000 2.645 258 G HA2 -0.417 3.544 3.960 0.002 0.000 0.246 258 G HA3 -0.417 3.544 3.960 0.002 0.000 0.246 258 G C 0.472 175.377 174.900 0.008 0.000 1.322 258 G CA 0.529 45.635 45.100 0.010 0.000 0.898 258 G HN 0.313 nan 8.290 nan 0.000 0.573 259 E N 0.036 120.240 120.200 0.006 0.000 2.051 259 E HA -0.097 4.254 4.350 0.002 0.000 0.192 259 E C 2.391 178.992 176.600 0.002 0.000 0.991 259 E CA 2.219 58.622 56.400 0.005 0.000 0.799 259 E CB -0.255 29.448 29.700 0.004 0.000 0.748 259 E HN 0.607 nan 8.360 nan 0.000 0.449 260 K N -0.968 119.431 120.400 -0.001 0.000 2.147 260 K HA -0.062 4.259 4.320 0.002 0.000 0.205 260 K C 1.525 178.119 176.600 -0.010 0.000 1.049 260 K CA 1.408 57.691 56.287 -0.007 0.000 0.936 260 K CB -0.321 32.173 32.500 -0.010 0.000 0.722 260 K HN 0.233 nan 8.250 nan 0.000 0.446 261 G N 0.962 109.757 108.800 -0.009 0.000 3.434 261 G HA2 -0.034 3.928 3.960 0.002 0.000 0.258 261 G HA3 -0.034 3.928 3.960 0.002 0.000 0.258 261 G C 0.791 175.691 174.900 -0.001 0.000 1.128 261 G CA -0.268 44.824 45.100 -0.012 0.000 0.792 261 G HN 0.396 nan 8.290 nan 0.000 0.539 262 K N -0.125 120.278 120.400 0.006 0.000 2.280 262 K HA -0.054 4.267 4.320 0.002 0.000 0.202 262 K C 1.264 177.876 176.600 0.021 0.000 1.047 262 K CA 1.377 57.672 56.287 0.015 0.000 0.942 262 K CB -0.227 32.282 32.500 0.016 0.000 0.739 262 K HN 0.283 nan 8.250 nan 0.000 0.457 263 N N 0.392 119.104 118.700 0.019 0.000 2.280 263 N HA 0.194 4.936 4.740 0.002 0.000 0.192 263 N C -0.361 175.167 175.510 0.030 0.000 1.109 263 N CA -0.336 52.732 53.050 0.030 0.000 0.855 263 N CB 0.277 38.782 38.487 0.032 0.000 0.974 263 N HN 0.104 nan 8.380 nan 0.000 0.482 264 I N 1.898 122.477 120.570 0.015 0.000 2.556 264 I HA 0.009 4.180 4.170 0.002 0.000 0.284 264 I C 0.210 176.338 176.117 0.018 0.000 1.114 264 I CA -0.214 61.090 61.300 0.006 0.000 1.418 264 I CB 0.552 38.540 38.000 -0.019 0.000 1.394 264 I HN -0.101 nan 8.210 nan 0.000 0.552 265 K N 7.427 127.845 120.400 0.029 0.000 2.276 265 K HA 0.450 4.771 4.320 0.002 0.000 0.283 265 K C -0.420 176.202 176.600 0.037 0.000 1.044 265 K CA -0.221 56.091 56.287 0.041 0.000 0.944 265 K CB 1.041 33.578 32.500 0.062 0.000 1.012 265 K HN 0.486 nan 8.250 nan 0.000 0.472 266 I N 4.584 125.172 120.570 0.029 0.000 2.312 266 I HA 0.194 4.365 4.170 0.002 0.000 0.290 266 I C -0.104 176.034 176.117 0.034 0.000 1.008 266 I CA -0.665 60.651 61.300 0.028 0.000 1.226 266 I CB 0.837 38.836 38.000 -0.002 0.000 1.371 266 I HN 0.186 nan 8.210 nan 0.000 0.468 267 I N 5.369 125.995 120.570 0.093 0.000 2.328 267 I HA 0.231 4.403 4.170 0.002 0.000 0.287 267 I C 0.309 176.439 176.117 0.020 0.000 1.012 267 I CA -0.200 61.135 61.300 0.059 0.000 1.195 267 I CB 1.125 39.207 38.000 0.136 0.000 1.350 267 I HN 0.442 nan 8.210 nan 0.000 0.464 268 S N 6.468 122.148 115.700 -0.033 0.000 2.523 268 S HA 0.285 4.756 4.470 0.002 0.000 0.275 268 S C 0.255 174.821 174.600 -0.056 0.000 1.281 268 S CA -0.591 57.584 58.200 -0.042 0.000 1.050 268 S CB 0.676 63.838 63.200 -0.064 0.000 0.937 268 S HN 0.365 nan 8.310 nan 0.000 0.492 269 K N 2.878 123.236 120.400 -0.070 0.000 2.276 269 K HA 0.316 4.637 4.320 0.002 0.000 0.285 269 K C -0.581 175.967 176.600 -0.086 0.000 1.062 269 K CA -0.368 55.850 56.287 -0.115 0.000 0.918 269 K CB 0.518 32.911 32.500 -0.177 0.000 1.055 269 K HN 0.417 nan 8.250 nan 0.000 0.477 270 I N 4.376 124.912 120.570 -0.057 0.000 2.297 270 I HA 0.053 4.224 4.170 0.002 0.000 0.291 270 I C 0.709 176.792 176.117 -0.057 0.000 1.033 270 I CA 0.153 61.441 61.300 -0.019 0.000 1.253 270 I CB 0.474 38.490 38.000 0.027 0.000 1.396 270 I HN 0.807 nan 8.210 nan 0.000 0.476 271 E N 5.537 125.719 120.200 -0.031 0.000 2.948 271 E HA 0.203 4.554 4.350 0.002 0.000 0.186 271 E C -0.522 176.137 176.600 0.098 0.000 0.951 271 E CA -0.520 55.871 56.400 -0.015 0.000 1.308 271 E CB 0.319 29.935 29.700 -0.140 0.000 1.037 271 E HN 0.734 nan 8.360 nan 0.000 0.469 272 N N -0.285 118.472 118.700 0.095 0.000 2.934 272 N HA 0.112 4.853 4.740 0.002 0.000 0.253 272 N C 0.207 175.770 175.510 0.089 0.000 1.466 272 N CA -0.777 52.343 53.050 0.118 0.000 0.858 272 N CB 1.018 39.598 38.487 0.156 0.000 1.459 272 N HN -0.083 nan 8.380 nan 0.000 0.532 273 H N 0.232 119.314 119.070 0.021 0.000 2.353 273 H HA -0.102 4.456 4.556 0.002 0.000 0.300 273 H C 1.364 176.701 175.328 0.016 0.000 1.090 273 H CA 2.060 58.112 56.048 0.007 0.000 1.327 273 H CB 0.363 30.125 29.762 0.000 0.000 1.383 273 H HN 0.779 nan 8.280 nan 0.000 0.508 274 E N -0.331 119.934 120.200 0.107 0.000 2.077 274 E HA -0.116 4.236 4.350 0.002 0.000 0.193 274 E C 2.387 178.996 176.600 0.016 0.000 0.989 274 E CA 0.845 57.280 56.400 0.059 0.000 0.800 274 E CB -0.244 29.499 29.700 0.071 0.000 0.746 274 E HN 0.572 nan 8.360 nan 0.000 0.452 275 G N 0.368 109.186 108.800 0.030 0.000 2.442 275 G HA2 -0.238 3.723 3.960 0.002 0.000 0.219 275 G HA3 -0.238 3.723 3.960 0.002 0.000 0.219 275 G C 1.624 176.556 174.900 0.053 0.000 1.141 275 G CA 0.967 46.093 45.100 0.043 0.000 0.763 275 G HN 0.221 nan 8.290 nan 0.000 0.554 276 V N 0.530 120.421 119.914 -0.038 0.000 2.307 276 V HA -0.135 3.986 4.120 0.002 0.000 0.245 276 V C 2.896 178.946 176.094 -0.074 0.000 1.045 276 V CA 1.878 64.124 62.300 -0.091 0.000 1.024 276 V CB -0.481 31.205 31.823 -0.228 0.000 0.651 276 V HN 0.298 nan 8.190 nan 0.000 0.449 277 R N 0.121 120.532 120.500 -0.148 0.000 2.091 277 R HA -0.071 4.271 4.340 0.002 0.000 0.238 277 R C 1.874 178.171 176.300 -0.004 0.000 1.136 277 R CA 1.225 57.270 56.100 -0.091 0.000 0.959 277 R CB -0.216 30.039 30.300 -0.076 0.000 0.856 277 R HN 0.455 nan 8.270 nan 0.000 0.437 278 R N -0.148 120.361 120.500 0.015 0.000 2.586 278 R HA 0.056 4.397 4.340 0.002 0.000 0.306 278 R C 0.951 177.259 176.300 0.013 0.000 1.079 278 R CA -0.294 55.813 56.100 0.012 0.000 1.083 278 R CB 0.027 30.326 30.300 -0.002 0.000 1.306 278 R HN 0.138 nan 8.270 nan 0.000 0.567 279 F N 2.190 122.098 119.950 -0.070 0.000 2.095 279 F HA -0.250 4.278 4.527 0.001 0.000 0.298 279 F C 1.512 177.277 175.800 -0.059 0.000 1.104 279 F CA 1.816 59.773 58.000 -0.071 0.000 1.232 279 F CB 0.149 39.099 39.000 -0.083 0.000 0.987 279 F HN 0.021 nan 8.300 nan 0.000 0.475 280 D N 0.293 120.617 120.400 -0.127 0.000 2.117 280 D HA -0.221 4.420 4.640 0.002 0.000 0.197 280 D C 2.179 178.332 176.300 -0.245 0.000 0.987 280 D CA 1.752 55.635 54.000 -0.195 0.000 0.829 280 D CB -0.545 40.234 40.800 -0.034 0.000 0.961 280 D HN 0.690 nan 8.370 nan 0.000 0.460 281 E N 0.579 120.677 120.200 -0.170 0.000 2.106 281 E HA -0.116 4.235 4.350 0.002 0.000 0.192 281 E C 2.244 178.723 176.600 -0.201 0.000 0.984 281 E CA 0.609 56.926 56.400 -0.138 0.000 0.806 281 E CB -0.442 29.215 29.700 -0.072 0.000 0.750 281 E HN 0.253 nan 8.360 nan 0.000 0.458 282 I N 0.778 121.182 120.570 -0.276 0.000 2.179 282 I HA -0.226 3.945 4.170 0.002 0.000 0.242 282 I C 2.524 178.410 176.117 -0.384 0.000 1.088 282 I CA 0.669 61.787 61.300 -0.304 0.000 1.357 282 I CB -0.220 37.620 38.000 -0.267 0.000 1.051 282 I HN 0.155 nan 8.210 nan 0.000 0.409 283 L N 1.187 122.035 121.223 -0.626 0.000 2.012 283 L HA -0.244 4.097 4.340 0.002 0.000 0.210 283 L C 2.431 179.139 176.870 -0.270 0.000 1.073 283 L CA 2.042 56.565 54.840 -0.529 0.000 0.748 283 L CB -0.686 40.941 42.059 -0.720 0.000 0.891 283 L HN 0.203 nan 8.230 nan 0.000 0.431 284 E N -0.119 119.947 120.200 -0.223 0.000 2.085 284 E HA -0.195 4.157 4.350 0.002 0.000 0.194 284 E C 1.974 178.521 176.600 -0.087 0.000 0.994 284 E CA 1.636 57.965 56.400 -0.118 0.000 0.801 284 E CB -0.357 29.294 29.700 -0.082 0.000 0.743 284 E HN 0.561 nan 8.360 nan 0.000 0.453 285 A N -0.363 122.379 122.820 -0.130 0.000 2.123 285 A HA 0.159 4.481 4.320 0.002 0.000 0.214 285 A C 1.160 178.659 177.584 -0.141 0.000 1.152 285 A CA 0.508 52.459 52.037 -0.142 0.000 0.728 285 A CB 0.074 18.855 19.000 -0.364 0.000 0.814 285 A HN 0.191 nan 8.150 nan 0.000 0.464 286 S N -0.240 115.377 115.700 -0.138 0.000 2.722 286 S HA 0.317 4.789 4.470 0.002 0.000 0.292 286 S C 0.018 174.580 174.600 -0.064 0.000 1.135 286 S CA -0.585 57.552 58.200 -0.106 0.000 1.003 286 S CB 1.153 64.278 63.200 -0.125 0.000 1.067 286 S HN 0.376 nan 8.310 nan 0.000 0.546 287 D N 0.431 120.807 120.400 -0.039 0.000 2.305 287 D HA 0.230 4.871 4.640 0.002 0.000 0.206 287 D C 0.846 177.114 176.300 -0.054 0.000 0.974 287 D CA 0.595 54.583 54.000 -0.021 0.000 0.871 287 D CB 0.360 41.165 40.800 0.009 0.000 0.947 287 D HN 0.627 nan 8.370 nan 0.000 0.516 288 G N -0.248 108.512 108.800 -0.067 0.000 2.489 288 G HA2 0.471 4.432 3.960 0.002 0.000 0.305 288 G HA3 0.471 4.432 3.960 0.002 0.000 0.305 288 G C -1.827 173.027 174.900 -0.076 0.000 1.311 288 G CA -0.556 44.488 45.100 -0.094 0.000 0.813 288 G HN -0.075 nan 8.290 nan 0.000 0.480 289 I N 0.410 120.933 120.570 -0.077 0.000 2.769 289 I HA 0.520 4.691 4.170 0.002 0.000 0.298 289 I C -0.542 175.503 176.117 -0.120 0.000 1.128 289 I CA -0.644 60.628 61.300 -0.046 0.000 1.031 289 I CB 2.055 40.112 38.000 0.096 0.000 1.235 289 I HN 0.652 nan 8.210 nan 0.000 0.423 290 M N 5.180 124.689 119.600 -0.152 0.000 2.311 290 M HA 0.472 4.954 4.480 0.002 0.000 0.325 290 M C -1.322 174.893 176.300 -0.142 0.000 1.061 290 M CA -0.740 54.432 55.300 -0.214 0.000 0.957 290 M CB 1.769 34.160 32.600 -0.348 0.000 1.646 290 M HN 0.286 nan 8.290 nan 0.000 0.434 291 V N 5.059 124.893 119.914 -0.133 0.000 2.370 291 V HA 0.257 4.378 4.120 0.002 0.000 0.257 291 V C 0.567 176.592 176.094 -0.115 0.000 1.064 291 V CA -0.373 61.858 62.300 -0.116 0.000 0.975 291 V CB 0.018 31.774 31.823 -0.112 0.000 1.067 291 V HN 0.867 nan 8.190 nan 0.000 0.485 292 A N 5.895 128.644 122.820 -0.117 0.000 2.923 292 A HA 0.342 4.663 4.320 0.002 0.000 0.306 292 A C 1.406 178.939 177.584 -0.086 0.000 1.542 292 A CA -0.402 51.562 52.037 -0.122 0.000 1.225 292 A CB -0.329 18.567 19.000 -0.175 0.000 1.147 292 A HN 0.844 nan 8.150 nan 0.000 0.542 293 R N 1.320 121.782 120.500 -0.063 0.000 2.189 293 R HA -0.090 4.251 4.340 0.002 0.000 0.223 293 R C 2.189 178.475 176.300 -0.022 0.000 1.092 293 R CA 1.121 57.198 56.100 -0.039 0.000 0.989 293 R CB 0.025 30.308 30.300 -0.027 0.000 0.876 293 R HN 0.696 nan 8.270 nan 0.000 0.457 294 G N 1.541 110.330 108.800 -0.018 0.000 2.524 294 G HA2 -0.261 3.700 3.960 0.002 0.000 0.215 294 G HA3 -0.261 3.700 3.960 0.002 0.000 0.215 294 G C 0.990 175.898 174.900 0.013 0.000 1.239 294 G CA 0.872 45.974 45.100 0.004 0.000 0.798 294 G HN 0.188 nan 8.290 nan 0.000 0.557 295 D N 0.070 120.482 120.400 0.019 0.000 2.144 295 D HA -0.081 4.561 4.640 0.002 0.000 0.199 295 D C 2.485 178.813 176.300 0.047 0.000 0.984 295 D CA 0.598 54.642 54.000 0.073 0.000 0.834 295 D CB -0.105 40.787 40.800 0.153 0.000 0.955 295 D HN 0.150 nan 8.370 nan 0.000 0.465 296 L N 1.210 122.438 121.223 0.008 0.000 2.013 296 L HA -0.086 4.256 4.340 0.002 0.000 0.212 296 L C 2.211 179.074 176.870 -0.010 0.000 1.073 296 L CA 1.973 56.813 54.840 -0.001 0.000 0.753 296 L CB -0.940 41.101 42.059 -0.031 0.000 0.890 296 L HN 0.015 nan 8.230 nan 0.000 0.432 297 G N -1.460 107.329 108.800 -0.018 0.000 2.776 297 G HA2 -0.073 3.888 3.960 0.002 0.000 0.209 297 G HA3 -0.073 3.888 3.960 0.002 0.000 0.209 297 G C 1.418 176.276 174.900 -0.069 0.000 1.145 297 G CA 0.756 45.839 45.100 -0.030 0.000 0.791 297 G HN 0.506 nan 8.290 nan 0.000 0.530 298 I N -0.647 119.875 120.570 -0.079 0.000 3.039 298 I HA 0.099 4.270 4.170 0.002 0.000 0.270 298 I C 2.283 178.294 176.117 -0.178 0.000 1.150 298 I CA 0.201 61.393 61.300 -0.180 0.000 1.448 298 I CB 0.090 38.015 38.000 -0.125 0.000 1.197 298 I HN -0.043 nan 8.210 nan 0.000 0.450 299 E N 1.733 121.899 120.200 -0.056 0.000 2.106 299 E HA -0.001 4.351 4.350 0.002 0.000 0.192 299 E C 0.850 177.447 176.600 -0.005 0.000 0.984 299 E CA 0.883 57.278 56.400 -0.009 0.000 0.806 299 E CB 0.112 29.846 29.700 0.057 0.000 0.750 299 E HN 0.539 nan 8.360 nan 0.000 0.458 300 I N -2.151 118.417 120.570 -0.004 0.000 2.797 300 I HA 0.464 4.635 4.170 0.002 0.000 0.307 300 I C -2.664 173.437 176.117 -0.027 0.000 1.033 300 I CA -3.019 58.288 61.300 0.013 0.000 1.071 300 I CB 2.023 40.062 38.000 0.066 0.000 1.255 300 I HN -0.354 nan 8.210 nan 0.000 0.445 301 P HA 0.011 nan 4.420 nan 0.000 0.262 301 P C 0.386 177.683 177.300 -0.006 0.000 1.182 301 P CA 0.288 63.379 63.100 -0.016 0.000 0.761 301 P CB 0.955 32.658 31.700 0.004 0.000 0.795 302 A N 5.056 127.871 122.820 -0.009 0.000 1.978 302 A HA -0.214 4.107 4.320 0.002 0.000 0.220 302 A C 1.809 179.427 177.584 0.057 0.000 1.170 302 A CA 1.556 53.599 52.037 0.011 0.000 0.636 302 A CB -0.875 18.128 19.000 0.005 0.000 0.810 302 A HN 0.665 nan 8.150 nan 0.000 0.448 303 E N 0.480 120.723 120.200 0.071 0.000 2.409 303 E HA -0.173 4.178 4.350 0.002 0.000 0.198 303 E C 1.172 177.893 176.600 0.202 0.000 1.024 303 E CA 1.289 57.773 56.400 0.140 0.000 0.861 303 E CB -0.258 29.508 29.700 0.110 0.000 0.788 303 E HN 0.668 nan 8.360 nan 0.000 0.521 304 K N 0.514 120.951 120.400 0.063 0.000 2.367 304 K HA 0.133 4.454 4.320 0.002 0.000 0.194 304 K C 1.962 178.458 176.600 -0.174 0.000 1.027 304 K CA 0.218 56.452 56.287 -0.087 0.000 1.075 304 K CB 0.568 33.022 32.500 -0.076 0.000 0.845 304 K HN -0.075 nan 8.250 nan 0.000 0.529 305 V N 1.980 121.877 119.914 -0.029 0.000 2.332 305 V HA -0.284 3.837 4.120 0.002 0.000 0.248 305 V C 2.078 178.129 176.094 -0.071 0.000 1.055 305 V CA 1.996 64.271 62.300 -0.043 0.000 1.038 305 V CB -0.683 31.149 31.823 0.014 0.000 0.651 305 V HN 0.366 nan 8.190 nan 0.000 0.450 306 F N 0.035 119.958 119.950 -0.046 0.000 2.250 306 F HA -0.120 4.407 4.527 -0.001 0.000 0.301 306 F C 1.880 177.642 175.800 -0.064 0.000 1.077 306 F CA 1.418 59.388 58.000 -0.050 0.000 1.348 306 F CB -1.053 37.925 39.000 -0.036 0.000 1.040 306 F HN 0.090 nan 8.300 nan 0.000 0.509 307 L N 0.803 121.392 121.223 -1.058 0.000 2.027 307 L HA -0.074 4.267 4.340 0.002 0.000 0.206 307 L C 3.028 179.664 176.870 -0.390 0.000 1.074 307 L CA 1.187 55.568 54.840 -0.765 0.000 0.745 307 L CB -1.220 40.407 42.059 -0.720 0.000 0.898 307 L HN 0.320 nan 8.230 nan 0.000 0.433 308 A N -0.455 122.167 122.820 -0.329 0.000 1.902 308 A HA -0.290 4.032 4.320 0.002 0.000 0.217 308 A C 2.271 179.705 177.584 -0.251 0.000 1.181 308 A CA 1.913 53.789 52.037 -0.269 0.000 0.623 308 A CB -0.649 18.220 19.000 -0.217 0.000 0.818 308 A HN 0.500 nan 8.150 nan 0.000 0.443 309 Q N -0.159 119.532 119.800 -0.183 0.000 2.030 309 Q HA -0.248 4.093 4.340 0.002 0.000 0.204 309 Q C 1.995 177.911 176.000 -0.139 0.000 0.986 309 Q CA 2.180 57.902 55.803 -0.135 0.000 0.843 309 Q CB -0.160 28.546 28.738 -0.054 0.000 0.904 309 Q HN 0.681 nan 8.270 nan 0.000 0.420 310 K N -0.145 120.186 120.400 -0.115 0.000 2.057 310 K HA -0.122 4.200 4.320 0.002 0.000 0.206 310 K C 2.197 178.711 176.600 -0.143 0.000 1.050 310 K CA 1.289 57.521 56.287 -0.091 0.000 0.935 310 K CB -0.212 32.267 32.500 -0.034 0.000 0.715 310 K HN 0.322 nan 8.250 nan 0.000 0.439 311 M N 1.279 120.758 119.600 -0.202 0.000 2.086 311 M HA -0.153 4.328 4.480 0.002 0.000 0.261 311 M C 1.934 178.039 176.300 -0.326 0.000 1.067 311 M CA 1.770 56.927 55.300 -0.237 0.000 1.116 311 M CB -0.308 32.131 32.600 -0.268 0.000 1.348 311 M HN 0.117 nan 8.290 nan 0.000 0.407 312 I N 0.165 120.467 120.570 -0.446 0.000 2.202 312 I HA -0.328 3.843 4.170 0.002 0.000 0.242 312 I C 2.385 178.337 176.117 -0.275 0.000 1.091 312 I CA 1.130 62.057 61.300 -0.622 0.000 1.368 312 I CB -0.382 37.235 38.000 -0.637 0.000 1.058 312 I HN 0.263 nan 8.210 nan 0.000 0.410 313 I N 0.642 121.103 120.570 -0.181 0.000 2.226 313 I HA -0.226 3.946 4.170 0.002 0.000 0.245 313 I C 2.687 178.759 176.117 -0.074 0.000 1.100 313 I CA 1.650 62.891 61.300 -0.099 0.000 1.374 313 I CB -0.965 36.989 38.000 -0.077 0.000 1.057 313 I HN 0.281 nan 8.210 nan 0.000 0.413 314 G N 0.762 109.509 108.800 -0.088 0.000 2.446 314 G HA2 -0.233 3.728 3.960 0.002 0.000 0.217 314 G HA3 -0.233 3.728 3.960 0.002 0.000 0.217 314 G C 1.822 176.697 174.900 -0.041 0.000 1.168 314 G CA 0.509 45.570 45.100 -0.065 0.000 0.771 314 G HN 0.303 nan 8.290 nan 0.000 0.551 315 R N -0.690 119.789 120.500 -0.034 0.000 2.115 315 R HA -0.008 4.333 4.340 0.002 0.000 0.230 315 R C 2.682 179.038 176.300 0.093 0.000 1.111 315 R CA 1.060 57.194 56.100 0.057 0.000 0.976 315 R CB -0.589 29.812 30.300 0.169 0.000 0.870 315 R HN 0.386 nan 8.270 nan 0.000 0.445 316 C N 0.724 120.078 119.300 0.090 0.000 2.432 316 C HA -0.062 4.399 4.460 0.002 0.000 0.277 316 C C 2.194 177.182 174.990 -0.004 0.000 1.249 316 C CA 0.756 59.810 59.018 0.059 0.000 1.725 316 C CB -1.206 26.560 27.740 0.043 0.000 2.028 316 C HN 0.575 nan 8.230 nan 0.000 0.477 317 N N 0.172 118.859 118.700 -0.023 0.000 2.104 317 N HA -0.211 4.530 4.740 0.002 0.000 0.190 317 N C 2.002 177.473 175.510 -0.066 0.000 1.024 317 N CA 1.065 54.088 53.050 -0.044 0.000 0.853 317 N CB -0.267 38.196 38.487 -0.041 0.000 1.008 317 N HN 0.512 nan 8.380 nan 0.000 0.424 318 R N 0.935 121.407 120.500 -0.046 0.000 2.096 318 R HA -0.053 4.288 4.340 0.002 0.000 0.235 318 R C 1.883 178.151 176.300 -0.053 0.000 1.127 318 R CA 1.390 57.459 56.100 -0.051 0.000 0.968 318 R CB -0.056 30.230 30.300 -0.024 0.000 0.861 318 R HN 0.166 nan 8.270 nan 0.000 0.440 319 A N -0.586 122.216 122.820 -0.029 0.000 2.178 319 A HA 0.211 4.532 4.320 0.002 0.000 0.211 319 A C 1.374 178.943 177.584 -0.025 0.000 1.157 319 A CA 0.686 52.710 52.037 -0.022 0.000 0.780 319 A CB -0.136 18.858 19.000 -0.009 0.000 0.828 319 A HN 0.541 nan 8.150 nan 0.000 0.476 320 G N -0.348 108.426 108.800 -0.042 0.000 2.198 320 G HA2 -0.261 3.701 3.960 0.002 0.000 0.260 320 G HA3 -0.261 3.701 3.960 0.002 0.000 0.260 320 G C 0.028 174.959 174.900 0.051 0.000 1.025 320 G CA 0.643 45.737 45.100 -0.009 0.000 0.769 320 G HN 0.566 nan 8.290 nan 0.000 0.507 321 K N 0.520 120.916 120.400 -0.007 0.000 2.159 321 K HA 0.445 4.766 4.320 0.002 0.000 0.266 321 K C -2.506 174.000 176.600 -0.157 0.000 0.975 321 K CA -2.125 54.128 56.287 -0.056 0.000 0.865 321 K CB 1.807 34.279 32.500 -0.047 0.000 1.087 321 K HN -0.051 nan 8.250 nan 0.000 0.446 322 P HA -0.064 nan 4.420 nan 0.000 0.264 322 P C -0.946 176.230 177.300 -0.206 0.000 1.183 322 P CA -0.132 62.729 63.100 -0.398 0.000 0.763 322 P CB 0.597 31.950 31.700 -0.578 0.000 0.807 323 V N 5.293 125.111 119.914 -0.160 0.000 2.709 323 V HA 0.523 4.644 4.120 0.002 0.000 0.308 323 V C -0.877 175.141 176.094 -0.126 0.000 1.062 323 V CA -0.870 61.360 62.300 -0.117 0.000 0.901 323 V CB 1.512 33.292 31.823 -0.072 0.000 1.003 323 V HN 0.286 nan 8.190 nan 0.000 0.425 324 I N 6.230 126.709 120.570 -0.152 0.000 2.378 324 I HA 0.429 4.600 4.170 0.002 0.000 0.291 324 I C -0.203 175.831 176.117 -0.139 0.000 0.992 324 I CA -0.378 60.825 61.300 -0.163 0.000 1.154 324 I CB 1.603 39.439 38.000 -0.273 0.000 1.315 324 I HN 0.637 nan 8.210 nan 0.000 0.448 325 C N 6.576 125.817 119.300 -0.098 0.000 2.347 325 C HA 0.857 5.318 4.460 0.002 0.000 0.353 325 C C 0.435 175.381 174.990 -0.074 0.000 1.273 325 C CA -0.102 58.869 59.018 -0.079 0.000 1.861 325 C CB -0.531 27.179 27.740 -0.049 0.000 2.420 325 C HN 0.864 nan 8.230 nan 0.000 0.542 326 A N 4.522 127.296 122.820 -0.077 0.000 2.454 326 A HA 0.915 5.236 4.320 0.002 0.000 0.302 326 A C -0.197 177.366 177.584 -0.036 0.000 1.079 326 A CA -0.174 51.826 52.037 -0.062 0.000 0.731 326 A CB 1.115 20.058 19.000 -0.096 0.000 1.299 326 A HN 1.362 nan 8.150 nan 0.000 0.413 327 T N 1.516 116.061 114.554 -0.014 0.000 0.660 327 T HA -0.072 4.279 4.350 0.002 0.000 0.762 327 T C 0.007 174.712 174.700 0.009 0.000 0.990 327 T CA 0.576 62.677 62.100 0.001 0.000 4.021 327 T CB -1.341 67.523 68.868 -0.006 0.000 2.273 327 T HN 1.485 nan 8.240 nan 0.000 0.396 328 Q N 0.214 120.026 119.800 0.020 0.000 2.489 328 Q HA -0.255 4.086 4.340 0.002 0.000 0.259 328 Q C 1.548 177.559 176.000 0.019 0.000 0.934 328 Q CA 1.462 57.279 55.803 0.023 0.000 1.131 328 Q CB -1.157 27.594 28.738 0.022 0.000 1.472 328 Q HN 0.852 nan 8.270 nan 0.000 0.560 329 M N -0.510 119.100 119.600 0.017 0.000 2.159 329 M HA -0.116 4.365 4.480 0.002 0.000 0.263 329 M C 1.273 177.584 176.300 0.018 0.000 1.063 329 M CA 1.540 56.849 55.300 0.015 0.000 1.110 329 M CB 0.086 32.694 32.600 0.013 0.000 1.374 329 M HN 0.250 nan 8.290 nan 0.000 0.411 330 L N -0.652 120.586 121.223 0.024 0.000 3.291 330 L HA 0.165 4.506 4.340 0.002 0.000 0.307 330 L C 1.180 178.069 176.870 0.032 0.000 1.303 330 L CA -0.349 54.507 54.840 0.026 0.000 0.949 330 L CB 0.308 42.385 42.059 0.030 0.000 1.375 330 L HN 0.055 nan 8.230 nan 0.000 0.596 331 E N 1.320 121.539 120.200 0.031 0.000 2.097 331 E HA -0.252 4.099 4.350 0.002 0.000 0.196 331 E C 2.169 178.793 176.600 0.041 0.000 1.000 331 E CA 2.134 58.556 56.400 0.037 0.000 0.804 331 E CB 0.182 29.902 29.700 0.033 0.000 0.740 331 E HN 0.506 nan 8.360 nan 0.000 0.454 332 S N -0.450 115.270 115.700 0.032 0.000 2.442 332 S HA -0.168 4.303 4.470 0.002 0.000 0.236 332 S C 1.858 176.485 174.600 0.045 0.000 1.007 332 S CA 1.226 59.446 58.200 0.033 0.000 0.965 332 S CB -0.386 62.824 63.200 0.017 0.000 0.773 332 S HN 0.318 nan 8.310 nan 0.000 0.504 333 M N 0.648 120.277 119.600 0.049 0.000 2.686 333 M HA 0.174 4.655 4.480 0.002 0.000 0.246 333 M C 1.504 177.899 176.300 0.158 0.000 1.096 333 M CA 0.589 55.935 55.300 0.078 0.000 1.076 333 M CB -0.633 32.002 32.600 0.057 0.000 1.504 333 M HN 0.352 nan 8.290 nan 0.000 0.524 334 I N 0.334 120.974 120.570 0.116 0.000 2.335 334 I HA -0.291 3.880 4.170 0.002 0.000 0.251 334 I C 2.123 178.329 176.117 0.149 0.000 1.129 334 I CA 1.215 62.582 61.300 0.112 0.000 1.402 334 I CB -0.215 37.826 38.000 0.069 0.000 1.069 334 I HN 0.252 nan 8.210 nan 0.000 0.424 335 K N 0.071 120.571 120.400 0.166 0.000 2.425 335 K HA 0.294 4.615 4.320 0.002 0.000 0.201 335 K C 0.144 176.915 176.600 0.285 0.000 1.128 335 K CA 0.308 56.707 56.287 0.187 0.000 1.000 335 K CB 0.756 33.316 32.500 0.100 0.000 0.961 335 K HN 0.202 nan 8.250 nan 0.000 0.555 336 K N 1.369 121.870 120.400 0.168 0.000 2.318 336 K HA 0.259 4.580 4.320 0.002 0.000 0.249 336 K C -2.154 174.177 176.600 -0.449 0.000 0.942 336 K CA -1.912 54.342 56.287 -0.055 0.000 0.808 336 K CB 2.281 34.753 32.500 -0.047 0.000 1.189 336 K HN -0.290 nan 8.250 nan 0.000 0.428 337 P HA -0.026 nan 4.420 nan 0.000 0.241 337 P C -0.520 176.546 177.300 -0.389 0.000 1.191 337 P CA 0.599 63.101 63.100 -0.997 0.000 0.771 337 P CB 0.544 31.730 31.700 -0.855 0.000 0.929 338 R N 0.332 120.688 120.500 -0.239 0.000 2.744 338 R HA 0.488 4.829 4.340 0.002 0.000 0.279 338 R C -2.611 173.642 176.300 -0.078 0.000 0.977 338 R CA -2.114 53.912 56.100 -0.124 0.000 0.906 338 R CB 2.014 32.257 30.300 -0.095 0.000 1.197 338 R HN -0.022 nan 8.270 nan 0.000 0.463 339 P HA 0.084 nan 4.420 nan 0.000 0.278 339 P C -0.378 176.910 177.300 -0.020 0.000 1.266 339 P CA -0.393 62.693 63.100 -0.023 0.000 0.807 339 P CB 0.775 32.469 31.700 -0.011 0.000 1.094 340 T N -1.191 113.356 114.554 -0.011 0.000 2.788 340 T HA 0.195 4.546 4.350 0.002 0.000 0.287 340 T C 1.478 176.172 174.700 -0.010 0.000 1.007 340 T CA -0.601 61.493 62.100 -0.010 0.000 1.005 340 T CB 0.406 69.271 68.868 -0.005 0.000 1.012 340 T HN 0.187 nan 8.240 nan 0.000 0.530 341 R N 0.858 121.352 120.500 -0.011 0.000 2.115 341 R HA 0.034 4.375 4.340 0.002 0.000 0.230 341 R C 2.632 178.926 176.300 -0.011 0.000 1.111 341 R CA 1.418 57.510 56.100 -0.012 0.000 0.976 341 R CB -1.799 28.493 30.300 -0.014 0.000 0.870 341 R HN 0.854 nan 8.270 nan 0.000 0.445 342 A N 1.265 124.079 122.820 -0.010 0.000 1.930 342 A HA -0.157 4.164 4.320 0.002 0.000 0.217 342 A C 2.027 179.607 177.584 -0.006 0.000 1.175 342 A CA 1.322 53.353 52.037 -0.011 0.000 0.627 342 A CB -0.255 18.739 19.000 -0.009 0.000 0.815 342 A HN 0.351 nan 8.150 nan 0.000 0.443 343 E N -0.618 119.580 120.200 -0.003 0.000 2.072 343 E HA -0.068 4.284 4.350 0.002 0.000 0.191 343 E C 2.174 178.774 176.600 0.001 0.000 0.985 343 E CA 0.711 57.112 56.400 0.001 0.000 0.801 343 E CB -0.385 29.317 29.700 0.004 0.000 0.750 343 E HN 0.589 nan 8.360 nan 0.000 0.452 344 G N 0.685 109.483 108.800 -0.003 0.000 2.440 344 G HA2 -0.349 3.612 3.960 0.002 0.000 0.218 344 G HA3 -0.349 3.612 3.960 0.002 0.000 0.218 344 G C 1.659 176.557 174.900 -0.004 0.000 1.154 344 G CA 1.115 46.212 45.100 -0.003 0.000 0.767 344 G HN 0.297 nan 8.290 nan 0.000 0.552 345 S N 0.317 116.013 115.700 -0.007 0.000 2.368 345 S HA -0.168 4.303 4.470 0.002 0.000 0.225 345 S C 2.093 176.692 174.600 -0.003 0.000 1.030 345 S CA 1.966 60.162 58.200 -0.007 0.000 0.999 345 S CB -0.471 62.720 63.200 -0.014 0.000 0.844 345 S HN 0.418 nan 8.310 nan 0.000 0.459 346 D N 0.275 120.673 120.400 -0.002 0.000 2.104 346 D HA -0.095 4.547 4.640 0.002 0.000 0.194 346 D C 1.883 178.186 176.300 0.006 0.000 0.994 346 D CA 1.539 55.541 54.000 0.002 0.000 0.830 346 D CB -0.316 40.486 40.800 0.004 0.000 0.959 346 D HN 0.309 nan 8.370 nan 0.000 0.452 347 V N 0.686 120.604 119.914 0.006 0.000 2.307 347 V HA -0.191 3.930 4.120 0.002 0.000 0.245 347 V C 2.596 178.695 176.094 0.009 0.000 1.045 347 V CA 1.766 64.071 62.300 0.008 0.000 1.024 347 V CB -1.005 30.825 31.823 0.010 0.000 0.651 347 V HN 0.344 nan 8.190 nan 0.000 0.449 348 A N 0.333 123.157 122.820 0.007 0.000 1.883 348 A HA -0.257 4.064 4.320 0.002 0.000 0.217 348 A C 2.095 179.689 177.584 0.017 0.000 1.186 348 A CA 2.156 54.199 52.037 0.009 0.000 0.624 348 A CB -0.706 18.296 19.000 0.004 0.000 0.822 348 A HN 0.594 nan 8.150 nan 0.000 0.444 349 N N 0.074 118.784 118.700 0.017 0.000 2.244 349 N HA -0.068 4.673 4.740 0.002 0.000 0.183 349 N C 1.892 177.417 175.510 0.025 0.000 1.016 349 N CA 1.256 54.322 53.050 0.026 0.000 0.866 349 N CB -0.368 38.132 38.487 0.021 0.000 0.980 349 N HN 0.487 nan 8.380 nan 0.000 0.430 350 A N 0.772 123.601 122.820 0.015 0.000 1.902 350 A HA -0.068 4.254 4.320 0.002 0.000 0.217 350 A C 2.496 180.086 177.584 0.009 0.000 1.181 350 A CA 1.116 53.157 52.037 0.008 0.000 0.623 350 A CB -0.630 18.370 19.000 0.000 0.000 0.818 350 A HN 0.091 nan 8.150 nan 0.000 0.443 351 V N 0.141 120.063 119.914 0.015 0.000 2.358 351 V HA -0.238 3.883 4.120 0.002 0.000 0.246 351 V C 2.539 178.648 176.094 0.026 0.000 1.047 351 V CA 1.855 64.168 62.300 0.020 0.000 1.035 351 V CB -0.796 31.040 31.823 0.022 0.000 0.658 351 V HN 0.565 nan 8.190 nan 0.000 0.452 352 L N -0.176 121.067 121.223 0.033 0.000 2.083 352 L HA -0.193 4.148 4.340 0.002 0.000 0.209 352 L C 2.343 179.240 176.870 0.045 0.000 1.083 352 L CA 1.457 56.327 54.840 0.049 0.000 0.752 352 L CB -0.745 41.359 42.059 0.075 0.000 0.899 352 L HN 0.338 nan 8.230 nan 0.000 0.433 353 D N 0.023 120.442 120.400 0.032 0.000 2.144 353 D HA -0.090 4.551 4.640 0.002 0.000 0.199 353 D C 1.638 177.939 176.300 0.001 0.000 0.984 353 D CA 1.600 55.609 54.000 0.016 0.000 0.834 353 D CB 0.047 40.849 40.800 0.005 0.000 0.955 353 D HN 0.442 nan 8.370 nan 0.000 0.465 354 G N -0.685 108.117 108.800 0.003 0.000 2.155 354 G HA2 -0.023 3.938 3.960 0.002 0.000 0.130 354 G HA3 -0.023 3.938 3.960 0.002 0.000 0.130 354 G C 0.302 175.198 174.900 -0.007 0.000 1.027 354 G CA 0.067 45.168 45.100 0.001 0.000 0.705 354 G HN 0.525 nan 8.290 nan 0.000 0.496 355 A N 0.381 123.193 122.820 -0.012 0.000 2.546 355 A HA 0.468 4.789 4.320 0.002 0.000 0.243 355 A C 1.272 178.847 177.584 -0.015 0.000 1.063 355 A CA 0.987 53.009 52.037 -0.026 0.000 0.757 355 A CB 0.252 19.235 19.000 -0.028 0.000 0.991 355 A HN 0.288 nan 8.150 nan 0.000 0.503 356 D N 0.697 121.076 120.400 -0.035 0.000 2.149 356 D HA -0.027 4.614 4.640 0.002 0.000 0.201 356 D C 0.163 176.461 176.300 -0.003 0.000 0.972 356 D CA 1.303 55.290 54.000 -0.021 0.000 0.835 356 D CB 0.125 40.873 40.800 -0.086 0.000 0.966 356 D HN 0.542 nan 8.370 nan 0.000 0.476 357 C N 0.562 119.846 119.300 -0.028 0.000 2.802 357 C HA 0.614 5.075 4.460 0.002 0.000 0.307 357 C C -0.099 174.876 174.990 -0.025 0.000 1.222 357 C CA -1.025 57.986 59.018 -0.013 0.000 1.580 357 C CB 1.917 29.644 27.740 -0.022 0.000 2.119 357 C HN 0.173 nan 8.230 nan 0.000 0.479 358 I N 0.259 120.825 120.570 -0.006 0.000 2.846 358 I HA 0.810 4.981 4.170 0.002 0.000 0.307 358 I C -0.826 175.290 176.117 -0.001 0.000 1.053 358 I CA -0.819 60.476 61.300 -0.009 0.000 1.050 358 I CB 1.792 39.796 38.000 0.006 0.000 1.239 358 I HN 0.688 nan 8.210 nan 0.000 0.439 359 M N 4.323 123.921 119.600 -0.004 0.000 2.591 359 M HA 0.645 5.127 4.480 0.002 0.000 0.306 359 M C -2.025 174.292 176.300 0.027 0.000 1.190 359 M CA -0.708 54.599 55.300 0.012 0.000 0.889 359 M CB 2.710 35.304 32.600 -0.011 0.000 1.728 359 M HN 0.635 nan 8.290 nan 0.000 0.458 360 L N 1.558 122.809 121.223 0.046 0.000 2.362 360 L HA 0.578 4.919 4.340 0.002 0.000 0.271 360 L C -0.303 176.606 176.870 0.065 0.000 1.002 360 L CA -0.307 54.564 54.840 0.051 0.000 0.818 360 L CB 2.236 44.327 42.059 0.054 0.000 1.298 360 L HN 0.796 nan 8.230 nan 0.000 0.420 361 S N 0.708 116.446 115.700 0.063 0.000 3.290 361 S HA 0.184 4.655 4.470 0.002 0.000 0.176 361 S C 1.535 176.179 174.600 0.073 0.000 0.815 361 S CA 0.377 58.622 58.200 0.075 0.000 1.075 361 S CB -0.204 63.038 63.200 0.070 0.000 0.879 361 S HN 0.867 nan 8.310 nan 0.000 0.795 362 G N 1.298 110.138 108.800 0.066 0.000 2.450 362 G HA2 -0.209 3.753 3.960 0.002 0.000 0.220 362 G HA3 -0.209 3.753 3.960 0.002 0.000 0.220 362 G C 1.001 175.936 174.900 0.058 0.000 1.130 362 G CA 1.244 46.380 45.100 0.059 0.000 0.760 362 G HN 0.544 nan 8.290 nan 0.000 0.557 363 E N 0.053 120.290 120.200 0.061 0.000 2.118 363 E HA -0.113 4.238 4.350 0.002 0.000 0.195 363 E C 2.749 179.390 176.600 0.068 0.000 0.992 363 E CA 1.866 58.307 56.400 0.068 0.000 0.804 363 E CB -0.223 29.517 29.700 0.066 0.000 0.741 363 E HN 0.629 nan 8.360 nan 0.000 0.458 364 T N -2.978 111.614 114.554 0.063 0.000 3.000 364 T HA 0.367 4.718 4.350 0.002 0.000 0.248 364 T C 1.960 176.694 174.700 0.057 0.000 1.034 364 T CA 0.242 62.378 62.100 0.059 0.000 1.060 364 T CB 0.144 69.048 68.868 0.060 0.000 0.983 364 T HN 0.138 nan 8.240 nan 0.000 0.482 365 A N 3.042 125.901 122.820 0.064 0.000 1.929 365 A HA 0.115 4.436 4.320 0.002 0.000 0.216 365 A C 2.177 179.791 177.584 0.051 0.000 1.176 365 A CA 1.497 53.576 52.037 0.069 0.000 0.628 365 A CB -0.298 18.754 19.000 0.086 0.000 0.816 365 A HN 0.730 nan 8.150 nan 0.000 0.444 366 K N -2.132 118.291 120.400 0.038 0.000 2.558 366 K HA 0.281 4.602 4.320 0.002 0.000 0.215 366 K C 0.832 177.435 176.600 0.006 0.000 1.298 366 K CA 0.326 56.624 56.287 0.019 0.000 1.008 366 K CB -0.080 32.427 32.500 0.012 0.000 1.073 366 K HN 0.226 nan 8.250 nan 0.000 0.606 367 G N 0.975 109.785 108.800 0.017 0.000 2.634 367 G HA2 0.047 4.008 3.960 0.002 0.000 0.255 367 G HA3 0.047 4.008 3.960 0.002 0.000 0.255 367 G C -0.242 174.629 174.900 -0.048 0.000 1.205 367 G CA -0.288 44.820 45.100 0.013 0.000 0.884 367 G HN 0.107 nan 8.290 nan 0.000 0.549 368 D N -1.062 119.271 120.400 -0.113 0.000 2.347 368 D HA 0.021 4.662 4.640 0.002 0.000 0.213 368 D C -0.100 175.804 176.300 -0.660 0.000 0.985 368 D CA 1.025 54.789 54.000 -0.394 0.000 0.879 368 D CB 0.234 40.711 40.800 -0.538 0.000 0.919 368 D HN 0.378 nan 8.370 nan 0.000 0.526 369 Y N -0.486 119.824 120.300 0.017 0.000 2.555 369 Y HA 0.206 4.758 4.550 0.002 0.000 0.317 369 Y C -1.679 174.233 175.900 0.020 0.000 0.928 369 Y CA -1.682 56.429 58.100 0.017 0.000 1.116 369 Y CB 1.158 39.627 38.460 0.016 0.000 1.169 369 Y HN -0.090 nan 8.280 nan 0.000 0.627 370 P HA -0.164 nan 4.420 nan 0.000 0.216 370 P C 1.392 178.741 177.300 0.080 0.000 1.153 370 P CA 1.480 64.627 63.100 0.078 0.000 0.848 370 P CB 0.624 32.351 31.700 0.045 0.000 0.787 371 L N -0.604 120.666 121.223 0.079 0.000 2.093 371 L HA -0.127 4.214 4.340 0.002 0.000 0.208 371 L C 2.594 179.509 176.870 0.074 0.000 1.085 371 L CA 1.508 56.387 54.840 0.065 0.000 0.755 371 L CB -1.116 40.977 42.059 0.057 0.000 0.904 371 L HN -0.072 nan 8.230 nan 0.000 0.435 372 E N 0.577 120.843 120.200 0.109 0.000 2.110 372 E HA -0.179 4.173 4.350 0.002 0.000 0.193 372 E C 2.293 178.935 176.600 0.069 0.000 0.988 372 E CA 1.347 57.798 56.400 0.086 0.000 0.804 372 E CB -0.280 29.475 29.700 0.092 0.000 0.745 372 E HN 0.448 nan 8.360 nan 0.000 0.458 373 A N 0.426 123.297 122.820 0.086 0.000 1.877 373 A HA -0.160 4.161 4.320 0.002 0.000 0.216 373 A C 2.471 180.092 177.584 0.061 0.000 1.186 373 A CA 1.473 53.551 52.037 0.069 0.000 0.620 373 A CB -0.804 18.242 19.000 0.078 0.000 0.822 373 A HN 0.145 nan 8.150 nan 0.000 0.443 374 V N 0.158 120.108 119.914 0.059 0.000 2.287 374 V HA -0.318 3.803 4.120 0.002 0.000 0.248 374 V C 2.633 178.768 176.094 0.069 0.000 1.053 374 V CA 2.405 64.737 62.300 0.053 0.000 1.027 374 V CB -0.921 30.922 31.823 0.033 0.000 0.646 374 V HN 0.535 nan 8.190 nan 0.000 0.447 375 R N -0.869 119.666 120.500 0.060 0.000 2.096 375 R HA -0.179 4.162 4.340 0.002 0.000 0.235 375 R C 2.234 178.600 176.300 0.110 0.000 1.127 375 R CA 1.829 57.974 56.100 0.076 0.000 0.968 375 R CB -0.428 29.903 30.300 0.050 0.000 0.861 375 R HN 0.403 nan 8.270 nan 0.000 0.440 376 M N 0.952 120.597 119.600 0.075 0.000 2.156 376 M HA -0.118 4.363 4.480 0.002 0.000 0.264 376 M C 1.881 178.218 176.300 0.063 0.000 1.067 376 M CA 1.695 57.030 55.300 0.058 0.000 1.131 376 M CB -0.107 32.513 32.600 0.033 0.000 1.368 376 M HN 0.029 nan 8.290 nan 0.000 0.416 377 Q N -1.085 118.758 119.800 0.071 0.000 2.096 377 Q HA -0.259 4.083 4.340 0.002 0.000 0.204 377 Q C 2.231 178.284 176.000 0.088 0.000 0.982 377 Q CA 1.861 57.704 55.803 0.067 0.000 0.850 377 Q CB -0.633 28.143 28.738 0.064 0.000 0.901 377 Q HN 0.701 nan 8.270 nan 0.000 0.422 378 H N 0.777 119.862 119.070 0.025 0.000 2.290 378 H HA -0.133 4.425 4.556 0.003 0.000 0.298 378 H C 2.078 177.424 175.328 0.030 0.000 1.087 378 H CA 1.443 57.510 56.048 0.031 0.000 1.291 378 H CB -0.036 29.745 29.762 0.033 0.000 1.369 378 H HN 0.198 nan 8.280 nan 0.000 0.492 379 L N 0.275 121.509 121.223 0.018 0.000 2.017 379 L HA -0.193 4.148 4.340 0.002 0.000 0.208 379 L C 2.893 179.726 176.870 -0.061 0.000 1.073 379 L CA 1.080 55.894 54.840 -0.044 0.000 0.745 379 L CB -0.338 41.742 42.059 0.034 0.000 0.894 379 L HN 0.274 nan 8.230 nan 0.000 0.432 380 I N -0.174 120.382 120.570 -0.024 0.000 2.252 380 I HA -0.264 3.908 4.170 0.002 0.000 0.245 380 I C 2.838 178.937 176.117 -0.031 0.000 1.102 380 I CA 1.094 62.383 61.300 -0.019 0.000 1.385 380 I CB -0.534 37.465 38.000 -0.002 0.000 1.064 380 I HN 0.185 nan 8.210 nan 0.000 0.414 381 A N 1.105 123.902 122.820 -0.038 0.000 1.883 381 A HA -0.230 4.091 4.320 0.002 0.000 0.217 381 A C 2.426 179.978 177.584 -0.053 0.000 1.186 381 A CA 1.670 53.687 52.037 -0.033 0.000 0.624 381 A CB -0.625 18.362 19.000 -0.021 0.000 0.822 381 A HN 0.331 nan 8.150 nan 0.000 0.444 382 R N -0.640 119.787 120.500 -0.121 0.000 2.096 382 R HA -0.101 4.241 4.340 0.002 0.000 0.235 382 R C 2.050 178.324 176.300 -0.045 0.000 1.127 382 R CA 1.293 57.330 56.100 -0.105 0.000 0.968 382 R CB -0.305 29.890 30.300 -0.174 0.000 0.861 382 R HN 0.556 nan 8.270 nan 0.000 0.440 383 E N 0.667 120.841 120.200 -0.042 0.000 2.072 383 E HA -0.129 4.222 4.350 0.002 0.000 0.191 383 E C 2.006 178.606 176.600 0.000 0.000 0.985 383 E CA 1.302 57.691 56.400 -0.019 0.000 0.801 383 E CB -0.134 29.552 29.700 -0.022 0.000 0.750 383 E HN 0.317 nan 8.360 nan 0.000 0.452 384 A N 1.330 124.151 122.820 0.003 0.000 1.929 384 A HA -0.177 4.144 4.320 0.002 0.000 0.216 384 A C 2.013 179.623 177.584 0.043 0.000 1.176 384 A CA 1.327 53.375 52.037 0.019 0.000 0.628 384 A CB -0.400 18.610 19.000 0.016 0.000 0.816 384 A HN 0.179 nan 8.150 nan 0.000 0.444 385 E N -0.055 120.174 120.200 0.048 0.000 2.085 385 E HA -0.151 4.200 4.350 0.002 0.000 0.194 385 E C 2.240 178.942 176.600 0.170 0.000 0.994 385 E CA 1.150 57.608 56.400 0.096 0.000 0.801 385 E CB -0.296 29.453 29.700 0.082 0.000 0.743 385 E HN 0.625 nan 8.360 nan 0.000 0.453 386 A N 1.106 124.000 122.820 0.123 0.000 1.972 386 A HA -0.043 4.278 4.320 0.002 0.000 0.219 386 A C 2.269 179.956 177.584 0.172 0.000 1.169 386 A CA 1.472 53.600 52.037 0.152 0.000 0.635 386 A CB -0.415 18.625 19.000 0.067 0.000 0.810 386 A HN 0.279 nan 8.150 nan 0.000 0.446 387 A N -0.955 121.928 122.820 0.105 0.000 2.235 387 A HA 0.355 4.676 4.320 0.002 0.000 0.208 387 A C 1.052 178.752 177.584 0.193 0.000 1.172 387 A CA -0.045 52.048 52.037 0.093 0.000 0.786 387 A CB -0.549 18.465 19.000 0.022 0.000 0.804 387 A HN 0.557 nan 8.150 nan 0.000 0.479 388 M N -0.649 119.004 119.600 0.088 0.000 2.249 388 M HA 0.104 4.585 4.480 0.002 0.000 0.340 388 M C -0.002 176.237 176.300 -0.102 0.000 1.166 388 M CA 0.463 55.707 55.300 -0.094 0.000 1.115 388 M CB 0.167 32.509 32.600 -0.430 0.000 1.606 388 M HN 0.396 nan 8.290 nan 0.000 0.448 389 F N 3.986 123.703 119.950 -0.387 0.000 2.541 389 F HA 0.140 4.675 4.527 0.014 0.000 0.351 389 F C 1.184 176.833 175.800 -0.252 0.000 1.209 389 F CA -0.622 57.065 58.000 -0.522 0.000 1.277 389 F CB -0.061 38.521 39.000 -0.696 0.000 1.632 389 F HN 0.687 nan 8.300 nan 0.000 0.619 390 H N 2.300 121.422 119.070 0.087 0.000 2.352 390 H HA -0.205 4.352 4.556 0.001 0.000 0.299 390 H C 2.293 177.501 175.328 -0.201 0.000 1.097 390 H CA 1.491 57.513 56.048 -0.044 0.000 1.311 390 H CB 0.008 29.689 29.762 -0.135 0.000 1.377 390 H HN 0.572 nan 8.280 nan 0.000 0.504 391 R N 1.172 121.558 120.500 -0.190 0.000 2.083 391 R HA -0.118 4.223 4.340 0.002 0.000 0.237 391 R C 2.158 178.311 176.300 -0.245 0.000 1.137 391 R CA 1.213 57.154 56.100 -0.265 0.000 0.951 391 R CB 0.174 30.348 30.300 -0.210 0.000 0.851 391 R HN 0.110 nan 8.270 nan 0.000 0.434 392 K N 0.537 120.577 120.400 -0.600 0.000 2.103 392 K HA -0.129 4.192 4.320 0.002 0.000 0.204 392 K C 2.058 178.541 176.600 -0.195 0.000 1.052 392 K CA 0.664 56.645 56.287 -0.510 0.000 0.945 392 K CB -0.437 31.525 32.500 -0.897 0.000 0.722 392 K HN 0.172 nan 8.250 nan 0.000 0.443 393 L N 0.728 121.878 121.223 -0.121 0.000 2.017 393 L HA -0.134 4.207 4.340 0.002 0.000 0.208 393 L C 2.195 179.138 176.870 0.122 0.000 1.073 393 L CA 1.513 56.358 54.840 0.008 0.000 0.745 393 L CB -0.782 41.296 42.059 0.031 0.000 0.894 393 L HN 0.063 nan 8.230 nan 0.000 0.432 394 F N 0.698 120.699 119.950 0.085 0.000 2.095 394 F HA -0.230 4.293 4.527 -0.006 0.000 0.298 394 F C 2.338 178.215 175.800 0.129 0.000 1.104 394 F CA 2.097 60.219 58.000 0.203 0.000 1.232 394 F CB -0.267 38.944 39.000 0.351 0.000 0.987 394 F HN 0.243 nan 8.300 nan 0.000 0.475 395 E N -0.059 120.237 120.200 0.160 0.000 2.085 395 E HA -0.255 4.096 4.350 0.002 0.000 0.194 395 E C 2.102 178.667 176.600 -0.059 0.000 0.994 395 E CA 1.838 58.252 56.400 0.023 0.000 0.801 395 E CB -0.274 29.440 29.700 0.023 0.000 0.743 395 E HN 0.608 nan 8.360 nan 0.000 0.453 396 E N 0.373 120.545 120.200 -0.047 0.000 2.107 396 E HA -0.112 4.240 4.350 0.002 0.000 0.191 396 E C 2.235 178.804 176.600 -0.052 0.000 0.982 396 E CA 0.479 56.848 56.400 -0.052 0.000 0.809 396 E CB 0.017 29.684 29.700 -0.055 0.000 0.756 396 E HN 0.237 nan 8.360 nan 0.000 0.459 397 L N 0.795 121.989 121.223 -0.049 0.000 2.056 397 L HA -0.163 4.179 4.340 0.002 0.000 0.207 397 L C 2.630 179.503 176.870 0.005 0.000 1.078 397 L CA 1.018 55.835 54.840 -0.038 0.000 0.749 397 L CB -0.476 41.562 42.059 -0.035 0.000 0.901 397 L HN 0.127 nan 8.230 nan 0.000 0.433 398 A N 0.063 122.822 122.820 -0.101 0.000 1.883 398 A HA -0.270 4.051 4.320 0.002 0.000 0.217 398 A C 2.434 179.977 177.584 -0.067 0.000 1.186 398 A CA 1.947 53.898 52.037 -0.144 0.000 0.624 398 A CB -0.629 18.152 19.000 -0.365 0.000 0.822 398 A HN 0.341 nan 8.150 nan 0.000 0.444 399 R N -0.488 119.973 120.500 -0.065 0.000 2.083 399 R HA -0.134 4.207 4.340 0.002 0.000 0.237 399 R C 2.312 178.596 176.300 -0.026 0.000 1.137 399 R CA 1.523 57.599 56.100 -0.041 0.000 0.951 399 R CB -0.418 29.859 30.300 -0.039 0.000 0.851 399 R HN 0.457 nan 8.270 nan 0.000 0.434 400 A N 0.156 122.961 122.820 -0.024 0.000 1.933 400 A HA -0.136 4.185 4.320 0.002 0.000 0.218 400 A C 1.956 179.537 177.584 -0.006 0.000 1.175 400 A CA 1.835 53.861 52.037 -0.018 0.000 0.628 400 A CB -0.362 18.622 19.000 -0.026 0.000 0.814 400 A HN 0.556 nan 8.150 nan 0.000 0.444 401 S N -0.233 115.475 115.700 0.013 0.000 2.577 401 S HA 0.049 4.521 4.470 0.002 0.000 0.219 401 S C 1.523 176.136 174.600 0.021 0.000 0.962 401 S CA 0.736 58.956 58.200 0.034 0.000 0.921 401 S CB -0.461 62.801 63.200 0.103 0.000 0.789 401 S HN 0.784 nan 8.310 nan 0.000 0.497 402 S N 2.221 117.921 115.700 0.000 0.000 2.469 402 S HA -0.220 4.252 4.470 0.002 0.000 0.238 402 S C 2.028 176.622 174.600 -0.010 0.000 0.998 402 S CA 0.867 59.060 58.200 -0.012 0.000 0.957 402 S CB -0.656 62.532 63.200 -0.020 0.000 0.764 402 S HN 0.774 nan 8.310 nan 0.000 0.514 403 Q N 1.626 121.422 119.800 -0.006 0.000 2.291 403 Q HA 0.053 4.394 4.340 0.002 0.000 0.205 403 Q C 0.891 176.886 176.000 -0.007 0.000 0.970 403 Q CA 1.153 56.952 55.803 -0.007 0.000 0.876 403 Q CB -0.657 28.078 28.738 -0.006 0.000 0.935 403 Q HN 0.516 nan 8.270 nan 0.000 0.455 404 S N 1.123 116.822 115.700 -0.002 0.000 2.513 404 S HA 0.261 4.732 4.470 0.002 0.000 0.276 404 S C 0.424 175.016 174.600 -0.013 0.000 1.254 404 S CA -0.064 58.134 58.200 -0.004 0.000 1.053 404 S CB 1.129 64.336 63.200 0.011 0.000 0.958 404 S HN 0.432 nan 8.310 nan 0.000 0.491 405 T N 0.956 115.496 114.554 -0.023 0.000 3.215 405 T HA 0.226 4.577 4.350 0.002 0.000 0.271 405 T C 0.048 174.718 174.700 -0.050 0.000 1.012 405 T CA -0.517 61.563 62.100 -0.032 0.000 0.899 405 T CB -0.481 68.369 68.868 -0.029 0.000 1.089 405 T HN 0.641 nan 8.240 nan 0.000 0.552 406 D N 1.109 121.477 120.400 -0.053 0.000 2.533 406 D HA 0.059 4.700 4.640 0.002 0.000 0.236 406 D C 1.309 177.526 176.300 -0.138 0.000 1.137 406 D CA -0.059 53.885 54.000 -0.094 0.000 0.867 406 D CB 0.538 41.296 40.800 -0.070 0.000 1.170 406 D HN 0.163 nan 8.370 nan 0.000 0.474 407 L N 3.164 124.240 121.223 -0.244 0.000 2.056 407 L HA -0.131 4.211 4.340 0.002 0.000 0.207 407 L C 2.216 178.892 176.870 -0.325 0.000 1.078 407 L CA 0.667 55.333 54.840 -0.291 0.000 0.749 407 L CB -0.464 41.352 42.059 -0.405 0.000 0.901 407 L HN 0.614 nan 8.230 nan 0.000 0.433 408 M N 0.305 119.607 119.600 -0.496 0.000 2.175 408 M HA -0.169 4.313 4.480 0.002 0.000 0.264 408 M C 2.022 178.310 176.300 -0.021 0.000 1.063 408 M CA 1.713 56.890 55.300 -0.205 0.000 1.119 408 M CB -0.350 32.148 32.600 -0.171 0.000 1.377 408 M HN 0.103 nan 8.290 nan 0.000 0.415 409 E N -0.420 119.765 120.200 -0.024 0.000 2.085 409 E HA -0.189 4.163 4.350 0.002 0.000 0.194 409 E C 1.959 178.529 176.600 -0.051 0.000 0.994 409 E CA 1.244 57.673 56.400 0.048 0.000 0.801 409 E CB -0.274 29.472 29.700 0.077 0.000 0.743 409 E HN 0.656 nan 8.360 nan 0.000 0.453 410 A N 1.149 123.934 122.820 -0.057 0.000 1.877 410 A HA -0.207 4.114 4.320 0.002 0.000 0.216 410 A C 2.132 179.706 177.584 -0.016 0.000 1.186 410 A CA 1.356 53.361 52.037 -0.054 0.000 0.620 410 A CB -0.331 18.649 19.000 -0.033 0.000 0.822 410 A HN 0.132 nan 8.150 nan 0.000 0.443 411 M N -0.302 119.322 119.600 0.041 0.000 2.108 411 M HA -0.139 4.342 4.480 0.002 0.000 0.261 411 M C 2.507 178.839 176.300 0.053 0.000 1.066 411 M CA 1.645 56.994 55.300 0.083 0.000 1.107 411 M CB -1.639 31.075 32.600 0.190 0.000 1.356 411 M HN 0.497 nan 8.290 nan 0.000 0.406 412 A N -0.089 122.765 122.820 0.057 0.000 1.877 412 A HA -0.159 4.162 4.320 0.002 0.000 0.216 412 A C 2.264 179.858 177.584 0.016 0.000 1.186 412 A CA 1.706 53.791 52.037 0.080 0.000 0.620 412 A CB -0.572 18.543 19.000 0.192 0.000 0.822 412 A HN 0.483 nan 8.150 nan 0.000 0.443 413 M N -0.662 118.859 119.600 -0.132 0.000 2.132 413 M HA -0.076 4.406 4.480 0.002 0.000 0.263 413 M C 2.315 178.635 176.300 0.034 0.000 1.065 413 M CA 1.384 56.617 55.300 -0.111 0.000 1.122 413 M CB -0.556 31.839 32.600 -0.341 0.000 1.365 413 M HN 0.512 nan 8.290 nan 0.000 0.411 414 G N -0.589 108.205 108.800 -0.011 0.000 2.418 414 G HA2 -0.175 3.786 3.960 0.002 0.000 0.217 414 G HA3 -0.175 3.786 3.960 0.002 0.000 0.217 414 G C 1.601 176.470 174.900 -0.050 0.000 1.158 414 G CA 1.134 46.224 45.100 -0.016 0.000 0.771 414 G HN 0.422 nan 8.290 nan 0.000 0.545 415 S N -0.120 115.555 115.700 -0.040 0.000 2.368 415 S HA -0.073 4.398 4.470 0.002 0.000 0.224 415 S C 2.508 177.021 174.600 -0.145 0.000 1.029 415 S CA 1.039 59.202 58.200 -0.060 0.000 0.988 415 S CB -0.192 62.999 63.200 -0.015 0.000 0.838 415 S HN 0.176 nan 8.310 nan 0.000 0.462 416 V N 1.774 121.582 119.914 -0.177 0.000 2.307 416 V HA -0.155 3.967 4.120 0.002 0.000 0.245 416 V C 2.550 178.188 176.094 -0.760 0.000 1.045 416 V CA 2.006 64.053 62.300 -0.420 0.000 1.024 416 V CB -0.666 31.016 31.823 -0.236 0.000 0.651 416 V HN 0.406 nan 8.190 nan 0.000 0.449 417 E N 0.945 120.802 120.200 -0.572 0.000 2.058 417 E HA -0.221 4.130 4.350 0.002 0.000 0.194 417 E C 2.120 178.579 176.600 -0.235 0.000 0.997 417 E CA 1.859 57.988 56.400 -0.452 0.000 0.801 417 E CB -0.528 29.039 29.700 -0.221 0.000 0.746 417 E HN 0.510 nan 8.360 nan 0.000 0.450 418 A N 0.240 122.955 122.820 -0.175 0.000 1.902 418 A HA -0.208 4.114 4.320 0.002 0.000 0.217 418 A C 2.416 179.933 177.584 -0.111 0.000 1.181 418 A CA 2.419 54.393 52.037 -0.105 0.000 0.623 418 A CB -1.085 17.869 19.000 -0.077 0.000 0.818 418 A HN 0.456 nan 8.150 nan 0.000 0.443 419 S N -1.395 114.193 115.700 -0.186 0.000 2.383 419 S HA -0.182 4.289 4.470 0.002 0.000 0.227 419 S C 1.896 176.452 174.600 -0.074 0.000 1.026 419 S CA 1.451 59.559 58.200 -0.154 0.000 0.981 419 S CB -0.736 62.341 63.200 -0.206 0.000 0.818 419 S HN 0.506 nan 8.310 nan 0.000 0.472 420 Y N 2.215 122.436 120.300 -0.133 0.000 2.200 420 Y HA 0.144 4.697 4.550 0.005 0.000 0.290 420 Y C 2.643 178.490 175.900 -0.089 0.000 1.137 420 Y CA 0.944 58.967 58.100 -0.129 0.000 1.163 420 Y CB -0.988 37.363 38.460 -0.183 0.000 0.988 420 Y HN 0.285 nan 8.280 nan 0.000 0.518 421 K N 0.844 121.292 120.400 0.081 0.000 2.026 421 K HA -0.129 4.192 4.320 0.002 0.000 0.208 421 K C 1.913 178.525 176.600 0.020 0.000 1.048 421 K CA 1.856 58.164 56.287 0.036 0.000 0.929 421 K CB -0.765 31.741 32.500 0.010 0.000 0.713 421 K HN 0.443 nan 8.250 nan 0.000 0.439 422 C N -0.030 119.273 119.300 0.005 0.000 2.754 422 C HA 0.473 4.934 4.460 0.002 0.000 0.276 422 C C 0.587 175.578 174.990 0.001 0.000 1.264 422 C CA -0.801 58.216 59.018 -0.002 0.000 1.700 422 C CB -1.486 26.245 27.740 -0.016 0.000 1.885 422 C HN 0.479 nan 8.230 nan 0.000 0.607 423 L N 0.440 121.672 121.223 0.015 0.000 3.739 423 L HA -0.231 4.111 4.340 0.002 0.000 0.442 423 L C 1.078 177.950 176.870 0.003 0.000 1.241 423 L CA 0.327 55.177 54.840 0.017 0.000 0.819 423 L CB -2.228 39.842 42.059 0.017 0.000 1.679 423 L HN 0.704 nan 8.230 nan 0.000 0.889 424 A N 0.071 122.884 122.820 -0.012 0.000 2.520 424 A HA 0.479 4.800 4.320 0.002 0.000 0.235 424 A C 1.414 178.996 177.584 -0.003 0.000 1.065 424 A CA 0.683 52.704 52.037 -0.026 0.000 0.764 424 A CB 0.671 19.642 19.000 -0.048 0.000 1.002 424 A HN 0.695 nan 8.150 nan 0.000 0.502 425 A N 1.403 124.229 122.820 0.009 0.000 2.119 425 A HA 0.510 4.831 4.320 0.002 0.000 0.216 425 A C 1.053 178.731 177.584 0.157 0.000 1.152 425 A CA 1.572 53.671 52.037 0.104 0.000 0.708 425 A CB -0.402 18.720 19.000 0.204 0.000 0.805 425 A HN 2.407 nan 8.150 nan 0.000 0.460 426 A N -1.767 121.102 122.820 0.083 0.000 2.586 426 A HA 0.599 4.920 4.320 0.002 0.000 0.291 426 A C -1.845 175.760 177.584 0.034 0.000 1.062 426 A CA -0.614 51.487 52.037 0.108 0.000 0.666 426 A CB 0.276 19.481 19.000 0.341 0.000 1.281 426 A HN 0.287 nan 8.150 nan 0.000 0.421 427 L N 1.092 122.343 121.223 0.046 0.000 2.313 427 L HA 0.612 4.953 4.340 0.002 0.000 0.283 427 L C -0.512 176.400 176.870 0.070 0.000 1.013 427 L CA -0.006 54.853 54.840 0.032 0.000 0.816 427 L CB 1.540 43.611 42.059 0.020 0.000 1.236 427 L HN 0.585 nan 8.230 nan 0.000 0.419 428 I N 3.726 124.329 120.570 0.055 0.000 2.336 428 I HA 0.450 4.621 4.170 0.002 0.000 0.292 428 I C -0.693 175.457 176.117 0.054 0.000 0.991 428 I CA -0.685 60.660 61.300 0.075 0.000 1.227 428 I CB 1.573 39.609 38.000 0.061 0.000 1.366 428 I HN 0.216 nan 8.210 nan 0.000 0.466 429 V N 7.373 127.324 119.914 0.062 0.000 2.483 429 V HA 0.334 4.455 4.120 0.002 0.000 0.297 429 V C -0.364 175.752 176.094 0.037 0.000 1.027 429 V CA -0.676 61.651 62.300 0.045 0.000 0.855 429 V CB 1.792 33.639 31.823 0.042 0.000 0.995 429 V HN 0.357 nan 8.190 nan 0.000 0.424 430 L N 4.205 125.447 121.223 0.030 0.000 2.265 430 L HA 0.733 5.074 4.340 0.002 0.000 0.288 430 L C 0.331 177.224 176.870 0.038 0.000 1.058 430 L CA 0.784 55.639 54.840 0.026 0.000 0.809 430 L CB 1.304 43.365 42.059 0.005 0.000 1.179 430 L HN 0.832 nan 8.230 nan 0.000 0.429 431 T N 1.916 116.487 114.554 0.028 0.000 3.041 431 T HA 0.240 4.591 4.350 0.002 0.000 0.321 431 T C 0.319 175.029 174.700 0.017 0.000 1.184 431 T CA -0.418 61.690 62.100 0.013 0.000 1.050 431 T CB 1.306 70.145 68.868 -0.047 0.000 1.159 431 T HN 0.694 nan 8.240 nan 0.000 0.469 432 E N 1.815 122.031 120.200 0.027 0.000 2.079 432 E HA 0.005 4.356 4.350 0.002 0.000 0.191 432 E C 1.917 178.526 176.600 0.016 0.000 0.961 432 E CA 1.408 57.829 56.400 0.036 0.000 0.823 432 E CB -0.008 29.724 29.700 0.053 0.000 0.789 432 E HN 0.682 nan 8.360 nan 0.000 0.459 433 S N -1.197 114.501 115.700 -0.004 0.000 2.496 433 S HA 0.162 4.633 4.470 0.002 0.000 0.224 433 S C 1.601 176.151 174.600 -0.083 0.000 0.996 433 S CA 1.088 59.282 58.200 -0.010 0.000 0.927 433 S CB 0.431 63.633 63.200 0.003 0.000 0.774 433 S HN 0.417 nan 8.310 nan 0.000 0.524 434 G N 1.839 110.520 108.800 -0.197 0.000 2.241 434 G HA2 -0.313 3.648 3.960 0.002 0.000 0.244 434 G HA3 -0.313 3.648 3.960 0.002 0.000 0.244 434 G C 1.079 175.405 174.900 -0.956 0.000 0.998 434 G CA 0.279 45.059 45.100 -0.533 0.000 0.621 434 G HN 0.485 nan 8.290 nan 0.000 0.519 435 R N 0.858 121.058 120.500 -0.500 0.000 2.091 435 R HA -0.019 4.322 4.340 0.002 0.000 0.238 435 R C 2.783 178.960 176.300 -0.205 0.000 1.136 435 R CA 1.862 57.776 56.100 -0.311 0.000 0.959 435 R CB -0.434 29.833 30.300 -0.056 0.000 0.856 435 R HN 0.439 nan 8.270 nan 0.000 0.437 436 S N 0.608 116.237 115.700 -0.118 0.000 2.382 436 S HA -0.128 4.343 4.470 0.002 0.000 0.228 436 S C 2.044 176.621 174.600 -0.039 0.000 1.027 436 S CA 1.234 59.430 58.200 -0.007 0.000 0.991 436 S CB -0.111 63.125 63.200 0.060 0.000 0.823 436 S HN 0.484 nan 8.310 nan 0.000 0.469 437 A N 1.248 123.985 122.820 -0.138 0.000 1.929 437 A HA -0.097 4.224 4.320 0.002 0.000 0.216 437 A C 1.665 179.211 177.584 -0.062 0.000 1.176 437 A CA 1.249 53.234 52.037 -0.086 0.000 0.628 437 A CB -0.862 18.078 19.000 -0.100 0.000 0.816 437 A HN 0.674 nan 8.150 nan 0.000 0.444 438 H N -0.756 118.173 119.070 -0.236 0.000 2.387 438 H HA -0.116 4.441 4.556 0.001 0.000 0.299 438 H C 2.211 177.483 175.328 -0.093 0.000 1.090 438 H CA 1.115 56.922 56.048 -0.401 0.000 1.332 438 H CB 0.116 29.534 29.762 -0.574 0.000 1.386 438 H HN 0.450 nan 8.280 nan 0.000 0.516 439 Q N 0.518 120.378 119.800 0.100 0.000 2.119 439 Q HA -0.090 4.251 4.340 0.002 0.000 0.201 439 Q C 2.700 178.831 176.000 0.220 0.000 0.972 439 Q CA 0.850 56.744 55.803 0.152 0.000 0.847 439 Q CB -0.197 28.627 28.738 0.143 0.000 0.903 439 Q HN 0.363 nan 8.270 nan 0.000 0.433 440 V N 1.424 121.440 119.914 0.170 0.000 2.295 440 V HA -0.259 3.862 4.120 0.002 0.000 0.246 440 V C 2.453 178.665 176.094 0.195 0.000 1.049 440 V CA 1.829 64.241 62.300 0.186 0.000 1.024 440 V CB -1.142 30.750 31.823 0.115 0.000 0.648 440 V HN 0.320 nan 8.190 nan 0.000 0.447 441 A N 1.194 124.110 122.820 0.160 0.000 1.940 441 A HA -0.271 4.050 4.320 0.002 0.000 0.219 441 A C 2.378 180.054 177.584 0.153 0.000 1.176 441 A CA 2.152 54.295 52.037 0.178 0.000 0.631 441 A CB -0.627 18.510 19.000 0.229 0.000 0.814 441 A HN 0.688 nan 8.150 nan 0.000 0.446 442 R N -2.113 118.441 120.500 0.090 0.000 2.152 442 R HA -0.129 4.212 4.340 0.002 0.000 0.232 442 R C 0.964 177.117 176.300 -0.245 0.000 1.117 442 R CA 1.728 57.772 56.100 -0.093 0.000 0.981 442 R CB -0.504 29.674 30.300 -0.204 0.000 0.870 442 R HN 0.493 nan 8.270 nan 0.000 0.451 443 Y N 0.955 121.346 120.300 0.152 0.000 2.461 443 Y HA 0.300 4.848 4.550 -0.003 0.000 0.277 443 Y C 0.024 176.112 175.900 0.314 0.000 1.182 443 Y CA -0.330 57.898 58.100 0.214 0.000 1.276 443 Y CB 0.454 39.066 38.460 0.253 0.000 1.087 443 Y HN -0.047 nan 8.280 nan 0.000 0.519 444 R N -0.572 120.114 120.500 0.310 0.000 3.209 444 R HA -0.139 4.202 4.340 0.002 0.000 0.252 444 R C -2.958 173.590 176.300 0.413 0.000 0.958 444 R CA 0.191 56.487 56.100 0.327 0.000 0.651 444 R CB -2.245 28.238 30.300 0.305 0.000 1.142 444 R HN 0.282 nan 8.270 nan 0.000 0.441 445 P HA -0.023 nan 4.420 nan 0.000 0.270 445 P C 0.725 178.126 177.300 0.169 0.000 1.223 445 P CA -0.106 63.050 63.100 0.093 0.000 0.785 445 P CB 0.383 32.058 31.700 -0.041 0.000 0.923 446 R N 1.071 121.586 120.500 0.025 0.000 2.161 446 R HA 0.234 4.575 4.340 0.002 0.000 0.213 446 R C 0.933 177.209 176.300 -0.040 0.000 1.055 446 R CA 0.218 56.230 56.100 -0.147 0.000 0.996 446 R CB -0.632 29.360 30.300 -0.514 0.000 0.901 446 R HN 0.409 nan 8.270 nan 0.000 0.456 447 A N 3.197 125.996 122.820 -0.034 0.000 2.351 447 A HA 0.382 4.703 4.320 0.002 0.000 0.257 447 A C -2.173 175.384 177.584 -0.045 0.000 1.087 447 A CA -1.858 50.153 52.037 -0.043 0.000 0.798 447 A CB 0.044 19.029 19.000 -0.024 0.000 1.033 447 A HN 0.195 nan 8.150 nan 0.000 0.488 448 P HA 0.219 nan 4.420 nan 0.000 0.271 448 P C -0.866 176.431 177.300 -0.005 0.000 1.218 448 P CA 0.275 63.295 63.100 -0.134 0.000 0.780 448 P CB 0.507 31.922 31.700 -0.476 0.000 0.901 449 I N 3.310 123.922 120.570 0.069 0.000 2.330 449 I HA 0.287 4.459 4.170 0.002 0.000 0.286 449 I C 0.558 176.784 176.117 0.183 0.000 1.025 449 I CA -0.587 60.782 61.300 0.114 0.000 1.197 449 I CB 0.415 38.483 38.000 0.113 0.000 1.358 449 I HN 0.104 nan 8.210 nan 0.000 0.467 450 I N 6.236 126.928 120.570 0.202 0.000 2.308 450 I HA 0.333 4.504 4.170 0.002 0.000 0.293 450 I C 0.591 176.820 176.117 0.187 0.000 1.078 450 I CA -0.107 61.358 61.300 0.276 0.000 1.292 450 I CB 0.825 39.010 38.000 0.308 0.000 1.423 450 I HN 0.585 nan 8.210 nan 0.000 0.493 451 A N 7.292 130.209 122.820 0.162 0.000 2.253 451 A HA 0.610 4.931 4.320 0.002 0.000 0.316 451 A C -0.334 177.292 177.584 0.070 0.000 1.327 451 A CA -0.450 51.638 52.037 0.085 0.000 0.917 451 A CB 0.549 19.576 19.000 0.045 0.000 1.162 451 A HN 0.468 nan 8.150 nan 0.000 0.535 452 V N 2.636 122.585 119.914 0.059 0.000 2.407 452 V HA 0.637 4.758 4.120 0.002 0.000 0.278 452 V C 0.551 176.662 176.094 0.028 0.000 1.037 452 V CA -0.046 62.282 62.300 0.046 0.000 0.900 452 V CB 1.269 33.117 31.823 0.043 0.000 0.983 452 V HN 0.922 nan 8.190 nan 0.000 0.459 453 T N 4.360 118.928 114.554 0.024 0.000 2.909 453 T HA 0.413 4.764 4.350 0.002 0.000 0.299 453 T C 0.596 175.322 174.700 0.043 0.000 1.073 453 T CA -0.645 61.474 62.100 0.031 0.000 0.999 453 T CB 1.606 70.489 68.868 0.025 0.000 1.098 453 T HN 0.656 nan 8.240 nan 0.000 0.477 454 R N 1.834 122.376 120.500 0.070 0.000 2.300 454 R HA 0.179 4.520 4.340 0.002 0.000 0.199 454 R C 0.465 176.882 176.300 0.195 0.000 0.920 454 R CA -0.134 56.033 56.100 0.112 0.000 1.046 454 R CB 0.171 30.528 30.300 0.095 0.000 0.984 454 R HN 0.366 nan 8.270 nan 0.000 0.493 455 N N 1.097 119.888 118.700 0.151 0.000 2.437 455 N HA 0.010 4.751 4.740 0.002 0.000 0.243 455 N C 0.479 176.123 175.510 0.223 0.000 1.041 455 N CA 0.152 53.304 53.050 0.169 0.000 0.940 455 N CB 0.541 39.084 38.487 0.094 0.000 1.133 455 N HN 0.259 nan 8.380 nan 0.000 0.506 456 H N 1.712 120.804 119.070 0.038 0.000 2.387 456 H HA -0.141 4.416 4.556 0.002 0.000 0.299 456 H C 1.308 176.668 175.328 0.054 0.000 1.090 456 H CA 1.005 57.086 56.048 0.054 0.000 1.332 456 H CB 0.581 30.376 29.762 0.055 0.000 1.386 456 H HN 0.657 nan 8.280 nan 0.000 0.516 457 Q N 0.776 120.681 119.800 0.175 0.000 2.119 457 Q HA -0.121 4.220 4.340 0.002 0.000 0.201 457 Q C 1.967 178.026 176.000 0.099 0.000 0.972 457 Q CA 1.583 57.454 55.803 0.113 0.000 0.847 457 Q CB 0.186 28.972 28.738 0.080 0.000 0.903 457 Q HN 0.295 nan 8.270 nan 0.000 0.433 458 T N 0.728 115.338 114.554 0.094 0.000 2.699 458 T HA -0.207 4.144 4.350 0.002 0.000 0.268 458 T C 1.742 176.475 174.700 0.055 0.000 1.036 458 T CA 1.380 63.529 62.100 0.082 0.000 1.147 458 T CB -0.407 68.494 68.868 0.056 0.000 0.862 458 T HN 0.489 nan 8.240 nan 0.000 0.446 459 A N 1.747 124.586 122.820 0.031 0.000 1.877 459 A HA -0.128 4.193 4.320 0.002 0.000 0.216 459 A C 2.390 179.912 177.584 -0.102 0.000 1.186 459 A CA 1.487 53.498 52.037 -0.043 0.000 0.620 459 A CB -0.507 18.472 19.000 -0.036 0.000 0.822 459 A HN 0.430 nan 8.150 nan 0.000 0.443 460 R N -0.637 119.865 120.500 0.003 0.000 2.081 460 R HA -0.148 4.193 4.340 0.002 0.000 0.235 460 R C 2.382 178.731 176.300 0.082 0.000 1.131 460 R CA 1.706 57.840 56.100 0.056 0.000 0.960 460 R CB -0.353 30.012 30.300 0.108 0.000 0.856 460 R HN 0.676 nan 8.270 nan 0.000 0.436 461 Q N -0.068 119.788 119.800 0.093 0.000 2.297 461 Q HA -0.002 4.339 4.340 0.002 0.000 0.204 461 Q C 2.027 178.146 176.000 0.199 0.000 0.962 461 Q CA 0.929 56.820 55.803 0.147 0.000 0.879 461 Q CB 0.058 28.890 28.738 0.157 0.000 0.947 461 Q HN 0.349 nan 8.270 nan 0.000 0.462 462 A N 0.373 123.267 122.820 0.123 0.000 2.076 462 A HA -0.218 4.103 4.320 0.002 0.000 0.220 462 A C 1.244 178.939 177.584 0.185 0.000 1.160 462 A CA 1.343 53.480 52.037 0.167 0.000 0.653 462 A CB -0.699 18.303 19.000 0.002 0.000 0.801 462 A HN 0.446 nan 8.150 nan 0.000 0.455 463 H N -0.749 118.421 119.070 0.165 0.000 2.518 463 H HA 0.037 4.594 4.556 0.002 0.000 0.289 463 H C 1.550 176.942 175.328 0.108 0.000 1.051 463 H CA 0.834 56.953 56.048 0.117 0.000 1.280 463 H CB -0.160 29.641 29.762 0.064 0.000 1.380 463 H HN 0.415 nan 8.280 nan 0.000 0.566 464 L N -0.036 121.310 121.223 0.205 0.000 2.456 464 L HA -0.106 4.236 4.340 0.002 0.000 0.224 464 L C -0.214 176.517 176.870 -0.231 0.000 1.148 464 L CA 0.534 55.349 54.840 -0.042 0.000 0.825 464 L CB 0.020 41.964 42.059 -0.192 0.000 0.937 464 L HN 0.282 nan 8.230 nan 0.000 0.450 465 Y N -0.826 119.502 120.300 0.048 0.000 2.352 465 Y HA 0.400 4.950 4.550 0.001 0.000 0.339 465 Y C 0.553 176.502 175.900 0.081 0.000 0.992 465 Y CA -1.302 56.823 58.100 0.042 0.000 1.100 465 Y CB 0.916 39.406 38.460 0.049 0.000 1.192 465 Y HN -0.134 nan 8.280 nan 0.000 0.458 466 R N 1.615 122.223 120.500 0.180 0.000 2.504 466 R HA 0.273 4.614 4.340 0.002 0.000 0.291 466 R C 1.149 177.561 176.300 0.187 0.000 0.974 466 R CA 1.387 57.580 56.100 0.156 0.000 1.077 466 R CB -0.452 29.920 30.300 0.119 0.000 0.926 466 R HN 0.979 nan 8.270 nan 0.000 0.407 467 G N 3.812 112.715 108.800 0.172 0.000 2.225 467 G HA2 -0.288 3.673 3.960 0.002 0.000 0.254 467 G HA3 -0.288 3.673 3.960 0.002 0.000 0.254 467 G C 0.237 175.249 174.900 0.186 0.000 0.988 467 G CA 0.201 45.394 45.100 0.155 0.000 0.625 467 G HN 0.574 nan 8.290 nan 0.000 0.527 468 I N 1.011 121.712 120.570 0.218 0.000 2.379 468 I HA 0.389 4.560 4.170 0.002 0.000 0.290 468 I C -0.029 176.234 176.117 0.244 0.000 1.063 468 I CA -0.460 60.965 61.300 0.208 0.000 1.351 468 I CB 0.641 38.748 38.000 0.179 0.000 1.410 468 I HN 0.101 nan 8.210 nan 0.000 0.505 469 F N 10.138 130.149 119.950 0.101 0.000 2.309 469 F HA 0.421 4.949 4.527 0.002 0.000 0.366 469 F C -2.058 173.791 175.800 0.081 0.000 1.104 469 F CA -2.463 55.614 58.000 0.128 0.000 1.179 469 F CB 0.659 39.774 39.000 0.192 0.000 1.437 469 F HN 0.268 nan 8.300 nan 0.000 0.528 470 P HA 0.148 nan 4.420 nan 0.000 0.275 470 P C -1.134 176.090 177.300 -0.127 0.000 1.227 470 P CA -0.052 62.964 63.100 -0.140 0.000 0.781 470 P CB 2.100 33.636 31.700 -0.273 0.000 0.906 471 V N 3.972 123.882 119.914 -0.006 0.000 2.525 471 V HA 0.152 4.273 4.120 0.002 0.000 0.299 471 V C 0.252 176.358 176.094 0.020 0.000 1.034 471 V CA -0.856 61.466 62.300 0.036 0.000 0.863 471 V CB 2.224 34.117 31.823 0.116 0.000 0.999 471 V HN 0.261 nan 8.190 nan 0.000 0.423 472 V N 3.907 123.832 119.914 0.017 0.000 2.488 472 V HA 0.187 4.308 4.120 0.002 0.000 0.277 472 V C 0.402 176.475 176.094 -0.035 0.000 1.046 472 V CA -0.238 62.027 62.300 -0.058 0.000 0.986 472 V CB 1.294 32.996 31.823 -0.203 0.000 0.989 472 V HN 1.022 nan 8.190 nan 0.000 0.475 473 C N 6.393 125.680 119.300 -0.021 0.000 2.273 473 C HA 0.439 4.900 4.460 0.002 0.000 0.328 473 C C 1.218 176.216 174.990 0.013 0.000 1.275 473 C CA -0.637 58.381 59.018 0.000 0.000 1.704 473 C CB -0.221 27.526 27.740 0.013 0.000 2.326 473 C HN 1.027 nan 8.230 nan 0.000 0.517 474 K N 2.477 122.881 120.400 0.007 0.000 2.358 474 K HA 0.134 4.455 4.320 0.002 0.000 0.197 474 K C -0.117 176.500 176.600 0.028 0.000 1.025 474 K CA -0.021 56.288 56.287 0.035 0.000 1.104 474 K CB 0.203 32.709 32.500 0.010 0.000 0.855 474 K HN 0.746 nan 8.250 nan 0.000 0.531 475 D N 2.664 123.074 120.400 0.016 0.000 2.443 475 D HA 0.032 4.673 4.640 0.002 0.000 0.239 475 D C -2.398 173.912 176.300 0.016 0.000 1.136 475 D CA -0.983 53.023 54.000 0.010 0.000 0.879 475 D CB 0.393 41.194 40.800 0.000 0.000 1.195 475 D HN -0.095 nan 8.370 nan 0.000 0.443 476 P HA -0.011 nan 4.420 nan 0.000 0.268 476 P C -0.617 176.693 177.300 0.017 0.000 1.208 476 P CA -0.318 62.791 63.100 0.015 0.000 0.777 476 P CB 0.455 32.161 31.700 0.010 0.000 0.875 477 V N 3.924 123.854 119.914 0.027 0.000 2.521 477 V HA -0.015 4.106 4.120 0.002 0.000 0.286 477 V C 0.784 176.896 176.094 0.031 0.000 1.034 477 V CA 0.073 62.396 62.300 0.038 0.000 1.045 477 V CB -0.087 31.772 31.823 0.061 0.000 0.974 477 V HN 0.458 nan 8.190 nan 0.000 0.480 478 Q N 3.769 123.581 119.800 0.020 0.000 2.327 478 Q HA 0.188 4.529 4.340 0.002 0.000 0.254 478 Q C 1.106 177.130 176.000 0.039 0.000 0.952 478 Q CA -0.111 55.700 55.803 0.013 0.000 0.884 478 Q CB 0.963 29.691 28.738 -0.017 0.000 1.224 478 Q HN 0.729 nan 8.270 nan 0.000 0.422 479 E N 1.063 121.281 120.200 0.030 0.000 2.077 479 E HA -0.091 4.260 4.350 0.002 0.000 0.193 479 E C 0.023 176.658 176.600 0.057 0.000 0.989 479 E CA 1.022 57.446 56.400 0.039 0.000 0.800 479 E CB 0.151 29.864 29.700 0.021 0.000 0.746 479 E HN 0.619 nan 8.360 nan 0.000 0.452 480 A N 1.075 123.920 122.820 0.043 0.000 2.320 480 A HA 0.020 4.341 4.320 0.002 0.000 0.287 480 A C 0.392 178.031 177.584 0.091 0.000 1.181 480 A CA -0.512 51.557 52.037 0.054 0.000 0.831 480 A CB -0.056 18.951 19.000 0.010 0.000 1.102 480 A HN 0.503 nan 8.150 nan 0.000 0.513 481 W N 3.080 124.334 121.300 -0.078 0.000 2.335 481 W HA -0.286 4.374 4.660 0.001 0.000 0.311 481 W C 1.714 178.172 176.519 -0.103 0.000 1.213 481 W CA 2.054 59.344 57.345 -0.091 0.000 1.274 481 W CB -0.101 29.288 29.460 -0.118 0.000 1.148 481 W HN 0.778 nan 8.180 nan 0.000 0.498 482 A N 0.615 123.349 122.820 -0.143 0.000 1.940 482 A HA -0.255 4.067 4.320 0.002 0.000 0.219 482 A C 1.788 179.216 177.584 -0.259 0.000 1.176 482 A CA 2.019 53.892 52.037 -0.273 0.000 0.631 482 A CB -0.928 17.977 19.000 -0.159 0.000 0.814 482 A HN 0.511 nan 8.150 nan 0.000 0.446 483 E N -0.870 119.229 120.200 -0.168 0.000 2.107 483 E HA -0.175 4.176 4.350 0.002 0.000 0.191 483 E C 1.669 178.166 176.600 -0.171 0.000 0.982 483 E CA 1.087 57.406 56.400 -0.135 0.000 0.809 483 E CB -0.138 29.517 29.700 -0.075 0.000 0.756 483 E HN 0.693 nan 8.360 nan 0.000 0.459 484 D N -0.130 120.144 120.400 -0.210 0.000 2.144 484 D HA -0.121 4.520 4.640 0.002 0.000 0.200 484 D C 1.849 177.935 176.300 -0.358 0.000 0.978 484 D CA 0.637 54.500 54.000 -0.228 0.000 0.833 484 D CB 0.243 40.939 40.800 -0.173 0.000 0.961 484 D HN -0.075 nan 8.370 nan 0.000 0.470 485 V N 0.740 120.302 119.914 -0.588 0.000 2.261 485 V HA -0.215 3.907 4.120 0.002 0.000 0.246 485 V C 1.842 177.756 176.094 -0.300 0.000 1.047 485 V CA 1.960 63.921 62.300 -0.564 0.000 1.015 485 V CB -0.521 30.858 31.823 -0.740 0.000 0.642 485 V HN 0.226 nan 8.190 nan 0.000 0.446 486 D N -0.123 120.128 120.400 -0.248 0.000 2.123 486 D HA -0.186 4.455 4.640 0.002 0.000 0.196 486 D C 2.044 178.277 176.300 -0.112 0.000 0.992 486 D CA 1.316 55.225 54.000 -0.151 0.000 0.833 486 D CB -0.353 40.372 40.800 -0.125 0.000 0.954 486 D HN 0.405 nan 8.370 nan 0.000 0.455 487 L N 0.533 121.686 121.223 -0.116 0.000 2.012 487 L HA -0.216 4.125 4.340 0.002 0.000 0.210 487 L C 2.384 179.218 176.870 -0.061 0.000 1.073 487 L CA 1.533 56.327 54.840 -0.076 0.000 0.748 487 L CB 0.026 42.041 42.059 -0.073 0.000 0.891 487 L HN -0.084 nan 8.230 nan 0.000 0.431 488 R N -1.118 119.332 120.500 -0.084 0.000 2.090 488 R HA -0.088 4.253 4.340 0.002 0.000 0.228 488 R C 2.111 178.393 176.300 -0.030 0.000 1.110 488 R CA 1.325 57.392 56.100 -0.054 0.000 0.973 488 R CB -0.342 29.913 30.300 -0.073 0.000 0.869 488 R HN 0.296 nan 8.270 nan 0.000 0.440 489 V N 1.643 121.525 119.914 -0.053 0.000 2.343 489 V HA -0.248 3.873 4.120 0.002 0.000 0.247 489 V C 1.453 177.550 176.094 0.004 0.000 1.051 489 V CA 1.967 64.252 62.300 -0.025 0.000 1.036 489 V CB -0.612 31.180 31.823 -0.052 0.000 0.654 489 V HN 0.406 nan 8.190 nan 0.000 0.451 490 N N 0.076 118.770 118.700 -0.010 0.000 2.244 490 N HA -0.162 4.580 4.740 0.002 0.000 0.183 490 N C 1.705 177.235 175.510 0.034 0.000 1.016 490 N CA 1.004 54.060 53.050 0.010 0.000 0.866 490 N CB -0.202 38.280 38.487 -0.008 0.000 0.980 490 N HN 0.361 nan 8.380 nan 0.000 0.430 491 L N 1.290 122.529 121.223 0.028 0.000 2.017 491 L HA -0.059 4.282 4.340 0.002 0.000 0.208 491 L C 2.141 179.058 176.870 0.078 0.000 1.073 491 L CA 1.520 56.386 54.840 0.043 0.000 0.745 491 L CB -0.871 41.207 42.059 0.032 0.000 0.894 491 L HN 0.111 nan 8.230 nan 0.000 0.432 492 A N -0.692 122.187 122.820 0.098 0.000 1.908 492 A HA -0.217 4.104 4.320 0.002 0.000 0.218 492 A C 2.218 179.948 177.584 0.243 0.000 1.181 492 A CA 2.136 54.271 52.037 0.162 0.000 0.627 492 A CB -0.556 18.539 19.000 0.158 0.000 0.818 492 A HN 0.515 nan 8.150 nan 0.000 0.445 493 M N -0.069 119.662 119.600 0.218 0.000 2.080 493 M HA -0.176 4.305 4.480 0.002 0.000 0.260 493 M C 1.762 178.215 176.300 0.255 0.000 1.068 493 M CA 1.725 57.215 55.300 0.317 0.000 1.109 493 M CB -1.890 30.800 32.600 0.149 0.000 1.342 493 M HN 0.573 nan 8.290 nan 0.000 0.405 494 N N -0.259 118.511 118.700 0.117 0.000 2.120 494 N HA -0.115 4.626 4.740 0.002 0.000 0.188 494 N C 1.783 177.278 175.510 -0.025 0.000 1.024 494 N CA 0.971 54.047 53.050 0.044 0.000 0.852 494 N CB -0.005 38.501 38.487 0.031 0.000 1.003 494 N HN 0.061 nan 8.380 nan 0.000 0.424 495 V N 0.745 120.653 119.914 -0.010 0.000 2.295 495 V HA -0.169 3.953 4.120 0.002 0.000 0.246 495 V C 2.428 178.314 176.094 -0.347 0.000 1.049 495 V CA 2.139 64.389 62.300 -0.082 0.000 1.024 495 V CB -1.164 30.696 31.823 0.062 0.000 0.648 495 V HN 0.441 nan 8.190 nan 0.000 0.447 496 G N -0.502 108.063 108.800 -0.391 0.000 2.418 496 G HA2 -0.242 3.719 3.960 0.002 0.000 0.217 496 G HA3 -0.242 3.719 3.960 0.002 0.000 0.217 496 G C 1.676 175.884 174.900 -1.153 0.000 1.158 496 G CA 0.849 45.297 45.100 -1.087 0.000 0.771 496 G HN 0.466 nan 8.290 nan 0.000 0.545 497 K N 0.472 120.505 120.400 -0.611 0.000 2.026 497 K HA 0.049 4.370 4.320 0.002 0.000 0.208 497 K C 2.972 179.389 176.600 -0.305 0.000 1.048 497 K CA 1.018 57.118 56.287 -0.311 0.000 0.929 497 K CB -0.238 32.238 32.500 -0.039 0.000 0.713 497 K HN 0.260 nan 8.250 nan 0.000 0.439 498 A N 1.452 124.103 122.820 -0.282 0.000 1.933 498 A HA -0.121 4.200 4.320 0.002 0.000 0.218 498 A C 1.881 179.274 177.584 -0.318 0.000 1.175 498 A CA 1.179 53.080 52.037 -0.227 0.000 0.628 498 A CB -0.191 18.716 19.000 -0.156 0.000 0.814 498 A HN 0.119 nan 8.150 nan 0.000 0.444 499 R N -1.100 119.059 120.500 -0.568 0.000 2.313 499 R HA 0.095 4.436 4.340 0.002 0.000 0.199 499 R C 1.211 177.119 176.300 -0.654 0.000 0.958 499 R CA 0.715 56.361 56.100 -0.756 0.000 1.047 499 R CB -0.620 28.811 30.300 -1.449 0.000 0.955 499 R HN 0.820 nan 8.270 nan 0.000 0.481 500 G N 1.005 109.519 108.800 -0.477 0.000 2.147 500 G HA2 -0.256 3.705 3.960 0.002 0.000 0.244 500 G HA3 -0.256 3.705 3.960 0.002 0.000 0.244 500 G C 0.433 175.294 174.900 -0.064 0.000 1.005 500 G CA 0.057 45.030 45.100 -0.212 0.000 0.713 500 G HN 0.249 nan 8.290 nan 0.000 0.515 501 F N -0.372 119.346 119.950 -0.387 0.000 2.416 501 F HA 0.398 4.928 4.527 0.004 0.000 0.296 501 F C 1.355 177.052 175.800 -0.173 0.000 1.099 501 F CA 0.387 58.174 58.000 -0.354 0.000 1.427 501 F CB -0.530 38.146 39.000 -0.539 0.000 1.079 501 F HN 0.420 nan 8.300 nan 0.000 0.536 502 F N -2.353 117.671 119.950 0.123 0.000 2.817 502 F HA 0.665 5.193 4.527 0.001 0.000 0.317 502 F C -1.064 174.750 175.800 0.023 0.000 1.168 502 F CA -2.234 55.803 58.000 0.062 0.000 0.911 502 F CB 0.985 40.021 39.000 0.060 0.000 1.337 502 F HN -0.426 nan 8.300 nan 0.000 0.464 503 K N 0.136 120.743 120.400 0.345 0.000 2.466 503 K HA 0.396 4.717 4.320 0.002 0.000 0.260 503 K C -1.443 175.252 176.600 0.158 0.000 1.011 503 K CA -1.411 54.995 56.287 0.198 0.000 0.871 503 K CB 2.673 35.235 32.500 0.104 0.000 1.404 503 K HN 0.733 nan 8.250 nan 0.000 0.450 504 K N 0.406 120.865 120.400 0.100 0.000 2.511 504 K HA -0.067 4.254 4.320 0.002 0.000 0.280 504 K C 0.635 177.254 176.600 0.031 0.000 1.008 504 K CA 1.753 58.072 56.287 0.053 0.000 1.050 504 K CB -0.151 32.371 32.500 0.037 0.000 0.889 504 K HN 0.784 nan 8.250 nan 0.000 0.484 505 G N 3.092 111.895 108.800 0.004 0.000 2.234 505 G HA2 -0.211 3.750 3.960 0.002 0.000 0.235 505 G HA3 -0.211 3.750 3.960 0.002 0.000 0.235 505 G C -0.185 174.706 174.900 -0.015 0.000 0.997 505 G CA 0.133 45.230 45.100 -0.005 0.000 0.623 505 G HN 0.716 nan 8.290 nan 0.000 0.514 506 D N 0.412 120.805 120.400 -0.012 0.000 2.363 506 D HA 0.463 5.104 4.640 0.002 0.000 0.240 506 D C 0.999 177.242 176.300 -0.095 0.000 1.236 506 D CA 0.805 54.789 54.000 -0.028 0.000 0.927 506 D CB 1.536 42.348 40.800 0.020 0.000 1.150 506 D HN 0.994 nan 8.370 nan 0.000 0.458 507 V N -1.612 118.246 119.914 -0.093 0.000 2.581 507 V HA 0.772 4.894 4.120 0.002 0.000 0.303 507 V C -0.025 175.973 176.094 -0.161 0.000 1.041 507 V CA -0.881 61.347 62.300 -0.119 0.000 0.907 507 V CB 1.462 33.242 31.823 -0.071 0.000 0.994 507 V HN 0.361 nan 8.190 nan 0.000 0.442 508 V N 1.841 121.641 119.914 -0.190 0.000 3.040 508 V HA 0.712 4.834 4.120 0.002 0.000 0.312 508 V C -0.554 175.474 176.094 -0.110 0.000 1.115 508 V CA -0.878 61.312 62.300 -0.184 0.000 0.998 508 V CB 2.057 33.694 31.823 -0.311 0.000 1.042 508 V HN 0.820 nan 8.190 nan 0.000 0.433 509 I N 2.793 123.319 120.570 -0.075 0.000 2.353 509 I HA 0.564 4.735 4.170 0.002 0.000 0.293 509 I C -0.181 175.918 176.117 -0.031 0.000 0.992 509 I CA -0.503 60.768 61.300 -0.049 0.000 1.268 509 I CB 1.401 39.374 38.000 -0.046 0.000 1.387 509 I HN 0.503 nan 8.210 nan 0.000 0.478 510 V N 7.490 127.392 119.914 -0.020 0.000 2.487 510 V HA 0.455 4.576 4.120 0.002 0.000 0.298 510 V C -0.116 175.988 176.094 0.015 0.000 1.028 510 V CA -0.591 61.706 62.300 -0.006 0.000 0.860 510 V CB 2.340 34.152 31.823 -0.018 0.000 0.991 510 V HN 0.451 nan 8.190 nan 0.000 0.427 511 L N 5.441 126.680 121.223 0.027 0.000 2.305 511 L HA 0.791 5.132 4.340 0.002 0.000 0.284 511 L C 0.194 177.093 176.870 0.048 0.000 1.013 511 L CA -0.003 54.864 54.840 0.045 0.000 0.819 511 L CB 2.049 44.140 42.059 0.053 0.000 1.227 511 L HN 0.906 nan 8.230 nan 0.000 0.417 512 T N -0.503 114.090 114.554 0.065 0.000 2.841 512 T HA 0.656 5.008 4.350 0.002 0.000 0.296 512 T C -0.083 174.697 174.700 0.135 0.000 1.166 512 T CA -0.749 61.400 62.100 0.081 0.000 1.007 512 T CB 1.759 70.651 68.868 0.040 0.000 1.253 512 T HN 0.515 nan 8.240 nan 0.000 0.511 513 G N -0.215 108.725 108.800 0.232 0.000 2.372 513 G HA2 0.354 4.316 3.960 0.002 0.000 0.283 513 G HA3 0.354 4.316 3.960 0.002 0.000 0.283 513 G C 0.467 175.633 174.900 0.443 0.000 1.177 513 G CA -0.846 44.411 45.100 0.261 0.000 0.842 513 G HN 0.819 nan 8.290 nan 0.000 0.503 514 W N 3.076 124.429 121.300 0.088 0.000 2.363 514 W HA 0.005 4.667 4.660 0.003 0.000 0.296 514 W C 0.629 177.259 176.519 0.186 0.000 1.212 514 W CA 0.647 58.067 57.345 0.126 0.000 1.260 514 W CB 0.321 29.780 29.460 -0.000 0.000 1.131 514 W HN 0.382 nan 8.180 nan 0.000 0.530 515 R N -1.330 119.159 120.500 -0.019 0.000 2.867 515 R HA 0.181 4.522 4.340 0.002 0.000 0.268 515 R C -1.627 173.955 176.300 -1.197 0.000 1.014 515 R CA -1.680 54.066 56.100 -0.590 0.000 0.946 515 R CB 1.115 31.239 30.300 -0.293 0.000 1.208 515 R HN -0.332 nan 8.270 nan 0.000 0.477 516 P HA -0.116 nan 4.420 nan 0.000 0.219 516 P C 0.987 177.854 177.300 -0.721 0.000 1.146 516 P CA 1.202 63.288 63.100 -1.690 0.000 0.808 516 P CB 0.168 31.278 31.700 -0.983 0.000 0.779 517 G N -1.200 107.313 108.800 -0.479 0.000 2.813 517 G HA2 -0.049 3.912 3.960 0.002 0.000 0.209 517 G HA3 -0.049 3.912 3.960 0.002 0.000 0.209 517 G C 0.413 175.213 174.900 -0.166 0.000 1.150 517 G CA -0.016 44.937 45.100 -0.245 0.000 0.785 517 G HN 0.203 nan 8.290 nan 0.000 0.535 518 S N 0.164 115.747 115.700 -0.194 0.000 2.549 518 S HA 0.346 4.817 4.470 0.002 0.000 0.286 518 S C 1.455 176.009 174.600 -0.077 0.000 1.314 518 S CA 0.144 58.260 58.200 -0.140 0.000 1.062 518 S CB 1.545 64.648 63.200 -0.162 0.000 0.865 518 S HN 0.292 nan 8.310 nan 0.000 0.498 519 G N 1.497 110.305 108.800 0.013 0.000 3.141 519 G HA2 0.425 4.386 3.960 0.002 0.000 0.218 519 G HA3 0.425 4.386 3.960 0.002 0.000 0.218 519 G C -0.059 175.016 174.900 0.292 0.000 1.170 519 G CA -0.196 44.992 45.100 0.146 0.000 0.769 519 G HN 0.639 nan 8.290 nan 0.000 0.546 520 F N -2.221 117.750 119.950 0.037 0.000 2.817 520 F HA 0.523 5.051 4.527 0.002 0.000 0.317 520 F C -0.286 175.555 175.800 0.068 0.000 1.168 520 F CA -1.360 56.664 58.000 0.040 0.000 0.911 520 F CB 0.571 39.588 39.000 0.029 0.000 1.337 520 F HN -0.069 nan 8.300 nan 0.000 0.464 521 T N 0.417 115.032 114.554 0.101 0.000 2.855 521 T HA 0.204 4.556 4.350 0.002 0.000 0.290 521 T C 0.179 174.836 174.700 -0.071 0.000 0.941 521 T CA -0.260 61.845 62.100 0.008 0.000 1.030 521 T CB -0.622 68.299 68.868 0.089 0.000 0.935 521 T HN 0.739 nan 8.240 nan 0.000 0.564 522 N N 1.532 120.009 118.700 -0.373 0.000 2.322 522 N HA 0.062 4.803 4.740 0.002 0.000 0.194 522 N C -0.432 175.037 175.510 -0.068 0.000 1.126 522 N CA -0.505 52.346 53.050 -0.331 0.000 0.845 522 N CB 0.302 38.392 38.487 -0.661 0.000 0.976 522 N HN 0.506 nan 8.380 nan 0.000 0.475 523 T N 1.296 115.861 114.554 0.019 0.000 2.840 523 T HA 0.334 4.685 4.350 0.002 0.000 0.287 523 T C -0.880 173.863 174.700 0.073 0.000 0.991 523 T CA -0.663 61.484 62.100 0.079 0.000 0.964 523 T CB 1.703 70.725 68.868 0.257 0.000 0.954 523 T HN 0.053 nan 8.240 nan 0.000 0.438 524 M N 3.773 123.401 119.600 0.045 0.000 2.383 524 M HA 0.581 5.063 4.480 0.002 0.000 0.325 524 M C -1.323 174.993 176.300 0.027 0.000 1.092 524 M CA -0.493 54.827 55.300 0.033 0.000 0.961 524 M CB 1.571 34.182 32.600 0.018 0.000 1.672 524 M HN 0.619 nan 8.290 nan 0.000 0.438 525 R N 2.309 122.821 120.500 0.020 0.000 2.744 525 R HA 0.716 5.057 4.340 0.002 0.000 0.279 525 R C -1.281 175.012 176.300 -0.012 0.000 0.977 525 R CA -0.910 55.197 56.100 0.011 0.000 0.906 525 R CB 2.616 32.929 30.300 0.022 0.000 1.197 525 R HN 0.526 nan 8.270 nan 0.000 0.463 526 V N 3.004 122.907 119.914 -0.019 0.000 2.407 526 V HA 0.369 4.491 4.120 0.002 0.000 0.278 526 V C -0.316 175.755 176.094 -0.038 0.000 1.037 526 V CA -0.509 61.770 62.300 -0.034 0.000 0.900 526 V CB 1.485 33.288 31.823 -0.033 0.000 0.983 526 V HN 0.418 nan 8.190 nan 0.000 0.459 527 V N 7.275 127.153 119.914 -0.060 0.000 2.638 527 V HA 0.462 4.583 4.120 0.002 0.000 0.306 527 V C -2.392 173.646 176.094 -0.094 0.000 1.052 527 V CA -1.828 60.432 62.300 -0.067 0.000 0.885 527 V CB 2.526 34.306 31.823 -0.072 0.000 0.999 527 V HN 0.715 nan 8.190 nan 0.000 0.424 528 P HA 0.206 nan 4.420 nan 0.000 0.275 528 P C -0.361 176.873 177.300 -0.110 0.000 1.227 528 P CA -0.072 62.977 63.100 -0.086 0.000 0.781 528 P CB 1.257 32.926 31.700 -0.052 0.000 0.906 529 V N 5.930 125.754 119.914 -0.149 0.000 2.529 529 V HA 0.075 4.196 4.120 0.002 0.000 0.292 529 V C -1.182 174.883 176.094 -0.050 0.000 1.028 529 V CA -0.768 61.441 62.300 -0.151 0.000 1.074 529 V CB -0.043 31.657 31.823 -0.204 0.000 0.958 529 V HN 0.652 nan 8.190 nan 0.000 0.481 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.097 63.100 -0.004 0.000 0.800 530 P CB 0.000 31.697 31.700 -0.005 0.000 0.726