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 3n25_1_A DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHKCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF 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 0.000 176.093 176.117 -0.039 0.000 1.063 12 I CA 0.000 61.263 61.300 -0.062 0.000 1.566 12 I CB 0.000 37.969 38.000 -0.052 0.000 1.214 13 Q N 3.397 123.175 119.800 -0.037 0.000 2.364 13 Q HA 0.317 4.668 4.340 0.018 0.000 0.267 13 Q C 0.524 176.523 176.000 -0.002 0.000 0.999 13 Q CA -0.020 55.778 55.803 -0.008 0.000 0.886 13 Q CB 1.234 29.980 28.738 0.014 0.000 1.243 13 Q HN 0.684 nan 8.270 nan 0.000 0.415 14 T N -0.868 113.687 114.554 0.002 0.000 2.788 14 T HA 0.080 4.440 4.350 0.018 0.000 0.280 14 T C 0.413 175.117 174.700 0.005 0.000 0.984 14 T CA -0.650 61.452 62.100 0.003 0.000 0.972 14 T CB 1.051 69.923 68.868 0.007 0.000 1.039 14 T HN 0.800 nan 8.240 nan 0.000 0.530 15 Q N 0.201 120.004 119.800 0.005 0.000 2.481 15 Q HA -0.243 4.108 4.340 0.018 0.000 0.272 15 Q C -0.277 175.731 176.000 0.014 0.000 1.157 15 Q CA 0.669 56.477 55.803 0.008 0.000 0.935 15 Q CB -1.360 27.378 28.738 0.001 0.000 1.338 15 Q HN 0.769 nan 8.270 nan 0.000 0.494 16 Q N -2.093 117.711 119.800 0.006 0.000 2.435 16 Q HA -0.249 4.101 4.340 0.018 0.000 0.286 16 Q C 0.535 176.539 176.000 0.006 0.000 1.229 16 Q CA 1.576 57.375 55.803 -0.007 0.000 0.884 16 Q CB -1.754 26.971 28.738 -0.020 0.000 1.245 16 Q HN 0.736 nan 8.270 nan 0.000 0.488 17 L N -1.551 119.685 121.223 0.021 0.000 2.240 17 L HA -0.141 4.209 4.340 0.018 0.000 0.211 17 L C 2.212 179.106 176.870 0.040 0.000 1.106 17 L CA 1.152 56.005 54.840 0.022 0.000 0.793 17 L CB -0.294 41.776 42.059 0.017 0.000 0.927 17 L HN 0.355 nan 8.230 nan 0.000 0.446 18 H N 0.538 119.579 119.070 -0.049 0.000 2.293 18 H HA -0.164 4.406 4.556 0.024 0.000 0.300 18 H C 2.168 177.448 175.328 -0.080 0.000 1.082 18 H CA 1.752 57.766 56.048 -0.057 0.000 1.308 18 H CB 0.031 29.755 29.762 -0.063 0.000 1.375 18 H HN 0.250 nan 8.280 nan 0.000 0.495 19 A N 0.823 123.545 122.820 -0.165 0.000 1.940 19 A HA -0.102 4.229 4.320 0.018 0.000 0.219 19 A C 2.610 180.112 177.584 -0.136 0.000 1.176 19 A CA 1.761 53.604 52.037 -0.324 0.000 0.631 19 A CB -1.348 17.306 19.000 -0.576 0.000 0.814 19 A HN 0.629 nan 8.150 nan 0.000 0.446 20 A N -1.312 121.491 122.820 -0.028 0.000 2.024 20 A HA -0.108 4.223 4.320 0.018 0.000 0.220 20 A C 1.860 179.453 177.584 0.015 0.000 1.164 20 A CA 1.816 53.875 52.037 0.036 0.000 0.643 20 A CB -0.376 18.643 19.000 0.032 0.000 0.806 20 A HN 0.414 nan 8.150 nan 0.000 0.451 21 M N -0.414 119.149 119.600 -0.061 0.000 2.494 21 M HA 0.288 4.779 4.480 0.018 0.000 0.232 21 M C 0.889 177.162 176.300 -0.046 0.000 1.137 21 M CA -0.291 54.984 55.300 -0.043 0.000 1.012 21 M CB -1.315 31.246 32.600 -0.065 0.000 1.567 21 M HN 0.379 nan 8.290 nan 0.000 0.486 22 A N 0.610 123.379 122.820 -0.084 0.000 2.407 22 A HA 0.153 4.484 4.320 0.018 0.000 0.248 22 A C 0.914 178.598 177.584 0.165 0.000 1.082 22 A CA -0.151 51.848 52.037 -0.064 0.000 0.785 22 A CB 0.430 19.296 19.000 -0.223 0.000 1.020 22 A HN 0.296 nan 8.150 nan 0.000 0.489 23 D N -0.162 120.310 120.400 0.120 0.000 2.213 23 D HA 0.009 4.660 4.640 0.018 0.000 0.205 23 D C 0.947 177.382 176.300 0.226 0.000 0.961 23 D CA 1.979 56.070 54.000 0.151 0.000 0.853 23 D CB 0.084 40.933 40.800 0.082 0.000 0.967 23 D HN 0.749 nan 8.370 nan 0.000 0.496 24 T N -3.348 111.348 114.554 0.236 0.000 2.924 24 T HA 0.330 4.691 4.350 0.018 0.000 0.291 24 T C 0.935 175.876 174.700 0.403 0.000 1.045 24 T CA -0.799 61.480 62.100 0.299 0.000 1.015 24 T CB 1.171 70.155 68.868 0.194 0.000 1.103 24 T HN -0.218 nan 8.240 nan 0.000 0.496 25 F N 0.234 120.386 119.950 0.336 0.000 2.095 25 F HA -0.041 4.476 4.527 -0.017 0.000 0.298 25 F C 2.248 178.134 175.800 0.143 0.000 1.104 25 F CA 1.435 59.613 58.000 0.298 0.000 1.232 25 F CB -0.306 38.818 39.000 0.207 0.000 0.987 25 F HN 0.508 nan 8.300 nan 0.000 0.475 26 L N 0.609 122.004 121.223 0.286 0.000 1.971 26 L HA -0.258 4.093 4.340 0.018 0.000 0.215 26 L C 2.250 179.161 176.870 0.067 0.000 1.072 26 L CA 2.130 57.059 54.840 0.147 0.000 0.758 26 L CB -1.038 41.087 42.059 0.110 0.000 0.889 26 L HN 0.094 nan 8.230 nan 0.000 0.433 27 E N -1.408 118.821 120.200 0.049 0.000 2.153 27 E HA -0.283 4.077 4.350 0.018 0.000 0.194 27 E C 2.182 178.716 176.600 -0.111 0.000 0.988 27 E CA 1.516 57.902 56.400 -0.023 0.000 0.811 27 E CB -0.262 29.427 29.700 -0.018 0.000 0.746 27 E HN 0.749 nan 8.360 nan 0.000 0.466 28 H N 0.094 118.994 119.070 -0.283 0.000 2.293 28 H HA -0.008 4.562 4.556 0.023 0.000 0.300 28 H C 1.763 176.916 175.328 -0.292 0.000 1.082 28 H CA 2.274 58.018 56.048 -0.507 0.000 1.308 28 H CB 0.139 29.254 29.762 -1.077 0.000 1.375 28 H HN 0.018 nan 8.280 nan 0.000 0.495 29 K N -0.661 119.639 120.400 -0.168 0.000 2.057 29 K HA -0.111 4.219 4.320 0.018 0.000 0.207 29 K C 2.435 178.954 176.600 -0.135 0.000 1.049 29 K CA 1.393 57.599 56.287 -0.135 0.000 0.931 29 K CB -0.254 32.255 32.500 0.014 0.000 0.714 29 K HN 0.327 nan 8.250 nan 0.000 0.440 30 C N 0.525 119.770 119.300 -0.092 0.000 2.419 30 C HA -0.032 4.439 4.460 0.018 0.000 0.283 30 C C 1.955 176.900 174.990 -0.075 0.000 1.373 30 C CA 0.521 59.501 59.018 -0.063 0.000 1.781 30 C CB -0.892 26.828 27.740 -0.032 0.000 1.886 30 C HN 0.343 nan 8.230 nan 0.000 0.520 31 R N -0.141 120.278 120.500 -0.135 0.000 2.388 31 R HA 0.268 4.618 4.340 0.018 0.000 0.247 31 R C -0.049 176.181 176.300 -0.117 0.000 0.931 31 R CA -0.137 55.910 56.100 -0.088 0.000 1.082 31 R CB 0.031 30.235 30.300 -0.160 0.000 1.135 31 R HN 0.478 nan 8.270 nan 0.000 0.525 32 L N 1.432 122.557 121.223 -0.163 0.000 2.360 32 L HA 0.117 4.468 4.340 0.018 0.000 0.276 32 L C -0.163 176.657 176.870 -0.083 0.000 1.121 32 L CA 0.183 54.929 54.840 -0.157 0.000 0.845 32 L CB 0.568 42.530 42.059 -0.161 0.000 1.143 32 L HN -0.048 nan 8.230 nan 0.000 0.452 33 D N 3.393 123.752 120.400 -0.067 0.000 2.549 33 D HA 0.217 4.867 4.640 0.018 0.000 0.251 33 D C 0.759 177.037 176.300 -0.037 0.000 1.153 33 D CA -0.486 53.487 54.000 -0.044 0.000 0.861 33 D CB 1.787 42.566 40.800 -0.035 0.000 1.207 33 D HN 0.476 nan 8.370 nan 0.000 0.543 34 I N -0.118 120.433 120.570 -0.031 0.000 3.001 34 I HA 0.043 4.223 4.170 0.018 0.000 0.268 34 I C 0.518 176.623 176.117 -0.020 0.000 1.267 34 I CA 0.653 61.939 61.300 -0.024 0.000 1.472 34 I CB 0.238 38.225 38.000 -0.022 0.000 1.089 34 I HN -0.002 nan 8.210 nan 0.000 0.468 35 D N 1.062 121.449 120.400 -0.023 0.000 2.339 35 D HA 0.077 4.727 4.640 0.018 0.000 0.217 35 D C 0.606 176.894 176.300 -0.019 0.000 1.050 35 D CA 0.402 54.390 54.000 -0.020 0.000 0.856 35 D CB 0.442 41.228 40.800 -0.024 0.000 0.922 35 D HN 0.219 nan 8.370 nan 0.000 0.518 36 S N 0.746 116.434 115.700 -0.020 0.000 2.399 36 S HA 0.483 4.963 4.470 0.018 0.000 0.301 36 S C 0.046 174.640 174.600 -0.009 0.000 1.093 36 S CA -0.696 57.495 58.200 -0.015 0.000 1.077 36 S CB 0.194 63.383 63.200 -0.017 0.000 0.980 36 S HN 0.193 nan 8.310 nan 0.000 0.494 37 A N 7.600 130.418 122.820 -0.004 0.000 2.488 37 A HA 0.473 4.804 4.320 0.018 0.000 0.249 37 A C -2.094 175.492 177.584 0.004 0.000 1.083 37 A CA -1.021 51.017 52.037 0.001 0.000 0.768 37 A CB -0.154 18.849 19.000 0.006 0.000 1.017 37 A HN 0.646 nan 8.150 nan 0.000 0.496 38 P HA 0.350 nan 4.420 nan 0.000 0.276 38 P C 0.047 177.351 177.300 0.008 0.000 1.252 38 P CA -0.335 62.767 63.100 0.003 0.000 0.802 38 P CB 0.550 32.246 31.700 -0.007 0.000 1.035 39 I N -2.161 118.411 120.570 0.004 0.000 2.945 39 I HA 0.179 4.360 4.170 0.018 0.000 0.292 39 I C 1.142 177.273 176.117 0.023 0.000 1.093 39 I CA -0.404 60.904 61.300 0.013 0.000 1.336 39 I CB -0.267 37.732 38.000 -0.002 0.000 1.435 39 I HN 0.168 nan 8.210 nan 0.000 0.593 40 T N 2.776 117.369 114.554 0.066 0.000 2.684 40 T HA -0.052 4.308 4.350 0.018 0.000 0.267 40 T C 1.057 175.840 174.700 0.137 0.000 1.036 40 T CA 1.493 63.674 62.100 0.135 0.000 1.148 40 T CB -0.335 68.662 68.868 0.216 0.000 0.863 40 T HN 0.778 nan 8.240 nan 0.000 0.436 41 A N 1.899 124.696 122.820 -0.038 0.000 2.462 41 A HA 0.454 4.785 4.320 0.018 0.000 0.243 41 A C 0.535 178.045 177.584 -0.123 0.000 1.076 41 A CA -0.276 51.577 52.037 -0.307 0.000 0.773 41 A CB 0.203 18.628 19.000 -0.959 0.000 1.010 41 A HN 0.278 nan 8.150 nan 0.000 0.493 42 R N 2.198 122.684 120.500 -0.023 0.000 2.393 42 R HA 0.250 4.600 4.340 0.018 0.000 0.315 42 R C -0.772 175.559 176.300 0.052 0.000 0.952 42 R CA -0.586 55.504 56.100 -0.017 0.000 0.842 42 R CB 0.812 31.091 30.300 -0.035 0.000 1.163 42 R HN 0.863 nan 8.270 nan 0.000 0.450 43 N N 1.231 119.953 118.700 0.036 0.000 2.356 43 N HA 0.017 4.768 4.740 0.018 0.000 0.178 43 N C -0.414 175.151 175.510 0.093 0.000 1.075 43 N CA 0.473 53.570 53.050 0.079 0.000 0.889 43 N CB 0.616 39.148 38.487 0.075 0.000 0.999 43 N HN 0.462 nan 8.380 nan 0.000 0.464 44 T N 0.637 115.231 114.554 0.066 0.000 2.832 44 T HA 0.404 4.765 4.350 0.018 0.000 0.296 44 T C 0.762 175.502 174.700 0.068 0.000 0.968 44 T CA -0.566 61.569 62.100 0.059 0.000 1.107 44 T CB 1.440 70.328 68.868 0.033 0.000 0.916 44 T HN 0.085 nan 8.240 nan 0.000 0.517 45 G N 2.291 111.132 108.800 0.068 0.000 2.432 45 G HA2 0.530 4.500 3.960 0.018 0.000 0.257 45 G HA3 0.530 4.500 3.960 0.018 0.000 0.257 45 G C -0.463 174.452 174.900 0.026 0.000 1.238 45 G CA -0.583 44.552 45.100 0.057 0.000 0.838 45 G HN 0.755 nan 8.290 nan 0.000 0.547 46 I N 1.896 122.465 120.570 -0.001 0.000 2.389 46 I HA 0.314 4.494 4.170 0.018 0.000 0.288 46 I C -0.275 175.838 176.117 -0.007 0.000 0.999 46 I CA -0.447 60.855 61.300 0.004 0.000 1.129 46 I CB 1.748 39.760 38.000 0.019 0.000 1.288 46 I HN 0.209 nan 8.210 nan 0.000 0.444 47 I N 5.636 126.220 120.570 0.023 0.000 2.354 47 I HA 0.396 4.577 4.170 0.018 0.000 0.292 47 I C -0.683 175.472 176.117 0.063 0.000 0.989 47 I CA -0.464 60.872 61.300 0.059 0.000 1.188 47 I CB 1.538 39.602 38.000 0.107 0.000 1.342 47 I HN 0.504 nan 8.210 nan 0.000 0.457 48 C N 3.752 123.093 119.300 0.068 0.000 2.369 48 C HA 0.413 4.884 4.460 0.018 0.000 0.322 48 C C 0.588 175.635 174.990 0.095 0.000 1.258 48 C CA -0.636 58.422 59.018 0.068 0.000 1.487 48 C CB 1.149 28.917 27.740 0.046 0.000 2.165 48 C HN 0.694 nan 8.230 nan 0.000 0.483 49 T N 5.020 119.637 114.554 0.104 0.000 2.814 49 T HA 0.289 4.649 4.350 0.018 0.000 0.297 49 T C 0.287 175.053 174.700 0.111 0.000 0.956 49 T CA 0.030 62.206 62.100 0.126 0.000 1.123 49 T CB 0.076 69.023 68.868 0.131 0.000 0.902 49 T HN 0.376 nan 8.240 nan 0.000 0.528 50 I N 2.992 123.636 120.570 0.125 0.000 2.385 50 I HA 0.662 4.842 4.170 0.018 0.000 0.294 50 I C 0.908 177.104 176.117 0.132 0.000 0.988 50 I CA -0.155 61.210 61.300 0.108 0.000 1.265 50 I CB 0.857 38.914 38.000 0.095 0.000 1.388 50 I HN 0.818 nan 8.210 nan 0.000 0.480 51 G N 5.950 114.814 108.800 0.107 0.000 2.706 51 G HA2 0.459 4.429 3.960 0.018 0.000 0.307 51 G HA3 0.459 4.429 3.960 0.018 0.000 0.307 51 G C -2.617 172.344 174.900 0.101 0.000 1.307 51 G CA -0.412 44.766 45.100 0.131 0.000 0.790 51 G HN 0.249 nan 8.290 nan 0.000 0.503 52 P HA -0.131 nan 4.420 nan 0.000 0.216 52 P C 2.017 179.337 177.300 0.034 0.000 1.154 52 P CA 2.650 65.794 63.100 0.074 0.000 0.865 52 P CB 0.057 31.785 31.700 0.048 0.000 0.789 53 A N -0.863 121.972 122.820 0.024 0.000 2.121 53 A HA -0.067 4.264 4.320 0.018 0.000 0.218 53 A C 1.851 179.442 177.584 0.012 0.000 1.154 53 A CA 1.885 53.926 52.037 0.007 0.000 0.679 53 A CB -0.857 18.142 19.000 -0.002 0.000 0.795 53 A HN 0.367 nan 8.150 nan 0.000 0.458 54 S N -1.464 114.251 115.700 0.025 0.000 2.787 54 S HA 0.084 4.565 4.470 0.018 0.000 0.255 54 S C 1.366 175.979 174.600 0.020 0.000 1.051 54 S CA 0.118 58.334 58.200 0.026 0.000 1.124 54 S CB -0.160 63.062 63.200 0.038 0.000 1.104 54 S HN 0.754 nan 8.310 nan 0.000 0.623 55 R N 2.345 122.850 120.500 0.009 0.000 2.275 55 R HA 0.175 4.525 4.340 0.018 0.000 0.199 55 R C 0.778 177.063 176.300 -0.025 0.000 0.989 55 R CA 0.651 56.740 56.100 -0.018 0.000 1.016 55 R CB -0.435 29.826 30.300 -0.065 0.000 0.918 55 R HN 0.372 nan 8.270 nan 0.000 0.473 56 S N 0.041 115.734 115.700 -0.012 0.000 2.572 56 S HA 0.061 4.542 4.470 0.018 0.000 0.279 56 S C 1.447 176.047 174.600 0.000 0.000 1.341 56 S CA -0.637 57.556 58.200 -0.011 0.000 1.043 56 S CB 1.728 64.924 63.200 -0.006 0.000 0.887 56 S HN 0.003 nan 8.310 nan 0.000 0.516 57 V N 2.469 122.382 119.914 -0.002 0.000 2.255 57 V HA -0.177 3.954 4.120 0.018 0.000 0.247 57 V C 2.848 178.950 176.094 0.014 0.000 1.051 57 V CA 2.377 64.681 62.300 0.006 0.000 1.018 57 V CB -1.127 30.694 31.823 -0.003 0.000 0.641 57 V HN 1.060 nan 8.190 nan 0.000 0.445 58 E N -0.196 120.007 120.200 0.006 0.000 2.085 58 E HA -0.238 4.122 4.350 0.018 0.000 0.194 58 E C 2.236 178.852 176.600 0.027 0.000 0.994 58 E CA 1.998 58.404 56.400 0.010 0.000 0.801 58 E CB -0.117 29.585 29.700 0.003 0.000 0.743 58 E HN 0.622 nan 8.360 nan 0.000 0.453 59 T N 1.213 115.781 114.554 0.023 0.000 2.867 59 T HA -0.060 4.301 4.350 0.018 0.000 0.268 59 T C 1.902 176.628 174.700 0.043 0.000 1.057 59 T CA 0.645 62.762 62.100 0.029 0.000 1.136 59 T CB -0.060 68.819 68.868 0.018 0.000 0.874 59 T HN 0.137 nan 8.240 nan 0.000 0.466 60 L N 0.366 121.617 121.223 0.048 0.000 2.201 60 L HA -0.033 4.317 4.340 0.018 0.000 0.212 60 L C 2.501 179.438 176.870 0.111 0.000 1.105 60 L CA 1.145 56.024 54.840 0.064 0.000 0.775 60 L CB -0.330 41.764 42.059 0.058 0.000 0.913 60 L HN 0.209 nan 8.230 nan 0.000 0.440 61 K N -0.313 120.173 120.400 0.142 0.000 2.025 61 K HA -0.143 4.188 4.320 0.018 0.000 0.207 61 K C 1.999 178.745 176.600 0.244 0.000 1.049 61 K CA 1.054 57.511 56.287 0.284 0.000 0.933 61 K CB -0.086 32.515 32.500 0.169 0.000 0.714 61 K HN 0.173 nan 8.250 nan 0.000 0.438 62 E N 0.508 120.788 120.200 0.133 0.000 2.204 62 E HA -0.112 4.249 4.350 0.018 0.000 0.194 62 E C 2.003 178.627 176.600 0.041 0.000 0.989 62 E CA 0.868 57.319 56.400 0.084 0.000 0.824 62 E CB -0.027 29.708 29.700 0.058 0.000 0.756 62 E HN 0.308 nan 8.360 nan 0.000 0.477 63 M N 0.103 119.727 119.600 0.039 0.000 2.086 63 M HA -0.117 4.374 4.480 0.018 0.000 0.261 63 M C 2.470 178.750 176.300 -0.033 0.000 1.067 63 M CA 1.148 56.454 55.300 0.010 0.000 1.116 63 M CB -0.785 31.827 32.600 0.020 0.000 1.348 63 M HN 0.082 nan 8.290 nan 0.000 0.407 64 I N 0.081 120.623 120.570 -0.046 0.000 2.179 64 I HA -0.314 3.867 4.170 0.018 0.000 0.242 64 I C 2.365 178.353 176.117 -0.214 0.000 1.088 64 I CA 1.347 62.549 61.300 -0.163 0.000 1.357 64 I CB -0.381 37.469 38.000 -0.252 0.000 1.051 64 I HN 0.280 nan 8.210 nan 0.000 0.409 65 K N 0.332 120.634 120.400 -0.162 0.000 2.063 65 K HA -0.137 4.193 4.320 0.018 0.000 0.208 65 K C 2.240 178.766 176.600 -0.123 0.000 1.048 65 K CA 1.725 57.930 56.287 -0.136 0.000 0.928 65 K CB -0.237 32.250 32.500 -0.022 0.000 0.713 65 K HN 0.146 nan 8.250 nan 0.000 0.442 66 S N -0.950 114.695 115.700 -0.091 0.000 2.447 66 S HA -0.038 4.442 4.470 0.018 0.000 0.233 66 S C 1.312 175.826 174.600 -0.144 0.000 1.006 66 S CA 1.188 59.326 58.200 -0.103 0.000 0.957 66 S CB 0.275 63.450 63.200 -0.041 0.000 0.773 66 S HN 0.658 nan 8.310 nan 0.000 0.507 67 G N 0.355 109.083 108.800 -0.119 0.000 2.559 67 G HA2 -0.144 3.827 3.960 0.018 0.000 0.202 67 G HA3 -0.144 3.827 3.960 0.018 0.000 0.202 67 G C 0.082 174.934 174.900 -0.080 0.000 0.992 67 G CA -0.213 44.833 45.100 -0.090 0.000 0.764 67 G HN 0.371 nan 8.290 nan 0.000 0.525 68 M N 1.097 120.644 119.600 -0.089 0.000 2.251 68 M HA 0.263 4.754 4.480 0.018 0.000 0.343 68 M C 0.983 177.167 176.300 -0.194 0.000 1.245 68 M CA 1.192 56.434 55.300 -0.096 0.000 1.061 68 M CB 0.162 32.726 32.600 -0.060 0.000 1.723 68 M HN 0.273 nan 8.290 nan 0.000 0.449 69 N N 2.276 120.834 118.700 -0.236 0.000 2.564 69 N HA 0.184 4.934 4.740 0.018 0.000 0.202 69 N C -1.082 174.241 175.510 -0.312 0.000 1.052 69 N CA -0.146 52.597 53.050 -0.513 0.000 0.872 69 N CB 0.971 39.095 38.487 -0.604 0.000 1.303 69 N HN 0.430 nan 8.380 nan 0.000 0.440 70 V N 1.301 121.149 119.914 -0.111 0.000 2.443 70 V HA 0.619 4.749 4.120 0.018 0.000 0.293 70 V C -0.684 175.429 176.094 0.031 0.000 1.021 70 V CA -1.177 61.125 62.300 0.003 0.000 0.848 70 V CB 1.305 33.182 31.823 0.091 0.000 0.998 70 V HN 0.140 nan 8.190 nan 0.000 0.424 71 A N 5.298 128.136 122.820 0.030 0.000 2.354 71 A HA 0.640 4.971 4.320 0.018 0.000 0.281 71 A C 0.230 177.852 177.584 0.064 0.000 1.174 71 A CA -0.251 51.817 52.037 0.051 0.000 0.828 71 A CB 0.229 19.257 19.000 0.047 0.000 1.099 71 A HN 0.814 nan 8.150 nan 0.000 0.516 72 R N 3.902 124.463 120.500 0.102 0.000 2.387 72 R HA 0.505 4.856 4.340 0.018 0.000 0.314 72 R C -1.222 175.169 176.300 0.152 0.000 0.958 72 R CA -0.627 55.544 56.100 0.117 0.000 0.846 72 R CB 0.764 31.207 30.300 0.238 0.000 1.147 72 R HN 0.692 nan 8.270 nan 0.000 0.447 73 M N 3.613 123.304 119.600 0.153 0.000 2.149 73 M HA 0.211 4.702 4.480 0.018 0.000 0.342 73 M C -0.296 176.152 176.300 0.246 0.000 1.068 73 M CA -0.993 54.446 55.300 0.233 0.000 0.991 73 M CB 0.721 33.486 32.600 0.274 0.000 1.596 73 M HN 0.396 nan 8.290 nan 0.000 0.439 74 N N 2.696 121.553 118.700 0.261 0.000 2.415 74 N HA 0.208 4.958 4.740 0.018 0.000 0.246 74 N C -0.571 175.053 175.510 0.190 0.000 1.078 74 N CA -0.191 53.009 53.050 0.251 0.000 0.942 74 N CB 0.208 38.848 38.487 0.256 0.000 1.140 74 N HN 0.407 nan 8.380 nan 0.000 0.501 75 F N 1.268 121.207 119.950 -0.017 0.000 2.731 75 F HA 0.136 4.674 4.527 0.017 0.000 0.304 75 F C 1.901 177.701 175.800 0.001 0.000 1.133 75 F CA 0.082 58.058 58.000 -0.040 0.000 1.380 75 F CB 0.100 39.035 39.000 -0.109 0.000 1.079 75 F HN 0.453 nan 8.300 nan 0.000 0.550 76 S N -1.430 114.290 115.700 0.034 0.000 2.522 76 S HA 0.010 4.491 4.470 0.018 0.000 0.227 76 S C 0.252 174.481 174.600 -0.618 0.000 0.986 76 S CA 0.524 58.571 58.200 -0.255 0.000 0.929 76 S CB -0.312 62.677 63.200 -0.352 0.000 0.769 76 S HN 0.310 nan 8.310 nan 0.000 0.529 77 H N -0.672 118.452 119.070 0.091 0.000 3.016 77 H HA 0.521 5.088 4.556 0.017 0.000 0.362 77 H C 0.320 175.627 175.328 -0.034 0.000 1.233 77 H CA -0.326 55.727 56.048 0.008 0.000 1.124 77 H CB 1.177 30.915 29.762 -0.040 0.000 1.850 77 H HN 0.255 nan 8.280 nan 0.000 0.549 78 G N 1.185 109.954 108.800 -0.052 0.000 2.722 78 G HA2 -0.162 3.809 3.960 0.018 0.000 0.686 78 G HA3 -0.162 3.809 3.960 0.018 0.000 0.686 78 G C 0.136 174.985 174.900 -0.085 0.000 1.282 78 G CA -0.278 44.653 45.100 -0.281 0.000 0.817 78 G HN 0.889 nan 8.290 nan 0.000 0.605 79 T N -1.263 113.253 114.554 -0.064 0.000 2.770 79 T HA 0.473 4.833 4.350 0.018 0.000 0.281 79 T C 1.415 176.193 174.700 0.130 0.000 0.981 79 T CA 0.621 62.741 62.100 0.033 0.000 0.955 79 T CB 0.940 69.809 68.868 0.002 0.000 1.060 79 T HN 0.682 nan 8.240 nan 0.000 0.531 80 H N -0.555 118.440 119.070 -0.126 0.000 2.353 80 H HA -0.081 4.485 4.556 0.018 0.000 0.300 80 H C 2.362 177.630 175.328 -0.100 0.000 1.090 80 H CA 1.436 57.269 56.048 -0.359 0.000 1.327 80 H CB 0.159 29.495 29.762 -0.711 0.000 1.383 80 H HN 0.822 nan 8.280 nan 0.000 0.508 81 E N 0.875 121.144 120.200 0.116 0.000 2.070 81 E HA -0.266 4.095 4.350 0.018 0.000 0.197 81 E C 2.017 178.683 176.600 0.110 0.000 1.004 81 E CA 1.329 57.803 56.400 0.123 0.000 0.805 81 E CB -0.235 29.517 29.700 0.086 0.000 0.744 81 E HN 0.484 nan 8.360 nan 0.000 0.451 82 Y N 0.648 120.914 120.300 -0.056 0.000 2.165 82 Y HA -0.270 4.291 4.550 0.017 0.000 0.286 82 Y C 2.329 178.126 175.900 -0.171 0.000 1.155 82 Y CA 2.230 60.239 58.100 -0.151 0.000 1.164 82 Y CB -0.141 38.154 38.460 -0.275 0.000 0.978 82 Y HN 0.226 nan 8.280 nan 0.000 0.513 83 H N -1.005 118.125 119.070 0.100 0.000 2.436 83 H HA 0.062 4.629 4.556 0.018 0.000 0.294 83 H C 2.318 177.753 175.328 0.178 0.000 1.048 83 H CA 0.971 57.062 56.048 0.072 0.000 1.353 83 H CB -0.455 29.274 29.762 -0.055 0.000 1.414 83 H HN 0.498 nan 8.280 nan 0.000 0.536 84 A N 1.084 124.137 122.820 0.387 0.000 1.902 84 A HA -0.192 4.138 4.320 0.018 0.000 0.217 84 A C 2.343 180.006 177.584 0.132 0.000 1.181 84 A CA 1.735 53.975 52.037 0.339 0.000 0.623 84 A CB -0.404 18.838 19.000 0.403 0.000 0.818 84 A HN 0.451 nan 8.150 nan 0.000 0.443 85 E N -0.794 119.429 120.200 0.038 0.000 2.077 85 E HA -0.153 4.207 4.350 0.018 0.000 0.193 85 E C 2.014 178.564 176.600 -0.083 0.000 0.989 85 E CA 1.619 57.991 56.400 -0.048 0.000 0.800 85 E CB -0.122 29.506 29.700 -0.120 0.000 0.746 85 E HN 0.597 nan 8.360 nan 0.000 0.452 86 T N 1.288 115.757 114.554 -0.142 0.000 2.652 86 T HA -0.173 4.188 4.350 0.018 0.000 0.267 86 T C 1.924 176.629 174.700 0.009 0.000 1.039 86 T CA 1.404 63.444 62.100 -0.100 0.000 1.153 86 T CB -0.265 68.547 68.868 -0.094 0.000 0.863 86 T HN 0.165 nan 8.240 nan 0.000 0.428 87 I N 0.820 121.431 120.570 0.068 0.000 2.208 87 I HA -0.212 3.969 4.170 0.018 0.000 0.245 87 I C 2.683 178.828 176.117 0.047 0.000 1.097 87 I CA 1.363 62.708 61.300 0.074 0.000 1.363 87 I CB -0.265 37.793 38.000 0.098 0.000 1.051 87 I HN 0.185 nan 8.210 nan 0.000 0.413 88 K N 0.778 121.200 120.400 0.037 0.000 2.026 88 K HA -0.222 4.109 4.320 0.018 0.000 0.208 88 K C 1.921 178.535 176.600 0.023 0.000 1.048 88 K CA 1.815 58.119 56.287 0.028 0.000 0.929 88 K CB -0.097 32.417 32.500 0.022 0.000 0.713 88 K HN 0.242 nan 8.250 nan 0.000 0.439 89 N N 0.631 119.336 118.700 0.009 0.000 2.104 89 N HA -0.145 4.605 4.740 0.018 0.000 0.190 89 N C 1.777 177.305 175.510 0.030 0.000 1.024 89 N CA 1.015 54.070 53.050 0.008 0.000 0.853 89 N CB -0.420 38.058 38.487 -0.016 0.000 1.008 89 N HN -0.010 nan 8.380 nan 0.000 0.424 90 V N 1.232 121.169 119.914 0.038 0.000 2.343 90 V HA -0.202 3.929 4.120 0.018 0.000 0.247 90 V C 2.261 178.399 176.094 0.074 0.000 1.051 90 V CA 1.575 63.908 62.300 0.055 0.000 1.036 90 V CB -0.304 31.550 31.823 0.052 0.000 0.654 90 V HN 0.302 nan 8.190 nan 0.000 0.451 91 R N -0.669 119.873 120.500 0.069 0.000 2.075 91 R HA -0.117 4.233 4.340 0.018 0.000 0.232 91 R C 2.414 178.769 176.300 0.092 0.000 1.126 91 R CA 1.786 57.938 56.100 0.086 0.000 0.963 91 R CB -0.730 29.611 30.300 0.070 0.000 0.858 91 R HN 0.469 nan 8.270 nan 0.000 0.435 92 T N 1.149 115.740 114.554 0.063 0.000 2.652 92 T HA -0.210 4.151 4.350 0.018 0.000 0.267 92 T C 1.958 176.693 174.700 0.058 0.000 1.039 92 T CA 1.671 63.799 62.100 0.047 0.000 1.153 92 T CB -0.325 68.557 68.868 0.023 0.000 0.863 92 T HN 0.408 nan 8.240 nan 0.000 0.428 93 A N 1.269 124.135 122.820 0.076 0.000 1.865 93 A HA -0.183 4.148 4.320 0.018 0.000 0.217 93 A C 2.578 180.310 177.584 0.246 0.000 1.191 93 A CA 2.447 54.555 52.037 0.118 0.000 0.623 93 A CB -1.432 17.651 19.000 0.140 0.000 0.826 93 A HN 0.510 nan 8.150 nan 0.000 0.444 94 T N 0.294 115.001 114.554 0.255 0.000 2.652 94 T HA -0.129 4.231 4.350 0.018 0.000 0.267 94 T C 1.629 176.619 174.700 0.484 0.000 1.039 94 T CA 1.584 63.887 62.100 0.337 0.000 1.153 94 T CB -0.313 68.680 68.868 0.209 0.000 0.863 94 T HN 0.516 nan 8.240 nan 0.000 0.428 95 E N 1.621 122.011 120.200 0.317 0.000 2.418 95 E HA -0.016 4.344 4.350 0.018 0.000 0.197 95 E C 2.409 179.085 176.600 0.128 0.000 1.026 95 E CA 0.658 57.202 56.400 0.241 0.000 0.862 95 E CB -0.509 29.262 29.700 0.118 0.000 0.799 95 E HN 0.679 nan 8.360 nan 0.000 0.518 96 S N -0.257 115.464 115.700 0.036 0.000 2.474 96 S HA -0.065 4.415 4.470 0.018 0.000 0.235 96 S C 1.486 175.920 174.600 -0.276 0.000 0.997 96 S CA 0.381 58.476 58.200 -0.175 0.000 0.949 96 S CB -0.434 62.574 63.200 -0.319 0.000 0.766 96 S HN 0.141 nan 8.310 nan 0.000 0.517 97 F N 1.203 121.238 119.950 0.142 0.000 2.749 97 F HA 0.547 5.085 4.527 0.018 0.000 0.300 97 F C 2.360 178.301 175.800 0.236 0.000 1.103 97 F CA -0.075 58.029 58.000 0.173 0.000 1.342 97 F CB -0.301 38.799 39.000 0.167 0.000 1.098 97 F HN 0.273 nan 8.300 nan 0.000 0.586 98 A N 0.156 123.158 122.820 0.304 0.000 2.121 98 A HA -0.130 4.201 4.320 0.018 0.000 0.218 98 A C 2.308 179.878 177.584 -0.023 0.000 1.154 98 A CA 1.508 53.529 52.037 -0.026 0.000 0.679 98 A CB -0.933 17.921 19.000 -0.243 0.000 0.795 98 A HN 0.361 nan 8.150 nan 0.000 0.458 99 S N 0.073 115.790 115.700 0.029 0.000 2.380 99 S HA -0.192 4.289 4.470 0.018 0.000 0.229 99 S C 0.840 175.458 174.600 0.031 0.000 1.043 99 S CA 1.317 59.526 58.200 0.015 0.000 1.038 99 S CB -0.424 62.784 63.200 0.014 0.000 0.872 99 S HN 0.561 nan 8.310 nan 0.000 0.456 100 D N 2.366 122.814 120.400 0.079 0.000 2.467 100 D HA 0.388 5.039 4.640 0.018 0.000 0.220 100 D C -2.115 174.249 176.300 0.106 0.000 1.103 100 D CA -2.704 51.346 54.000 0.084 0.000 0.886 100 D CB 1.389 42.249 40.800 0.101 0.000 1.025 100 D HN -0.010 nan 8.370 nan 0.000 0.514 101 P HA -0.041 nan 4.420 nan 0.000 0.221 101 P C 1.339 178.702 177.300 0.105 0.000 1.145 101 P CA 0.785 63.923 63.100 0.064 0.000 0.795 101 P CB 0.366 32.079 31.700 0.021 0.000 0.775 102 I N -2.046 118.574 120.570 0.084 0.000 2.716 102 I HA -0.071 4.109 4.170 0.018 0.000 0.259 102 I C 1.906 178.072 176.117 0.080 0.000 1.172 102 I CA 0.953 62.293 61.300 0.067 0.000 1.478 102 I CB -0.159 37.857 38.000 0.027 0.000 1.104 102 I HN -0.111 nan 8.210 nan 0.000 0.439 103 L N -0.867 120.420 121.223 0.105 0.000 2.590 103 L HA 0.083 4.433 4.340 0.018 0.000 0.227 103 L C 0.606 177.546 176.870 0.117 0.000 1.099 103 L CA -0.311 54.586 54.840 0.096 0.000 0.872 103 L CB -0.072 42.042 42.059 0.092 0.000 1.088 103 L HN 0.152 nan 8.230 nan 0.000 0.479 104 Y N 2.831 123.162 120.300 0.052 0.000 2.717 104 Y HA 0.025 4.585 4.550 0.018 0.000 0.330 104 Y C 0.249 176.136 175.900 -0.021 0.000 1.217 104 Y CA -0.222 57.905 58.100 0.044 0.000 1.506 104 Y CB 0.273 38.765 38.460 0.053 0.000 1.268 104 Y HN -0.036 nan 8.280 nan 0.000 0.561 105 R N 8.298 128.334 120.500 -0.774 0.000 2.265 105 R HA 0.355 4.706 4.340 0.018 0.000 0.328 105 R C -2.696 173.034 176.300 -0.950 0.000 0.969 105 R CA -2.641 53.037 56.100 -0.702 0.000 0.832 105 R CB 0.666 30.670 30.300 -0.494 0.000 1.139 105 R HN 0.537 nan 8.270 nan 0.000 0.457 106 P HA 0.139 nan 4.420 nan 0.000 0.271 106 P C -0.541 176.753 177.300 -0.009 0.000 1.218 106 P CA -0.230 62.709 63.100 -0.268 0.000 0.780 106 P CB 0.910 32.556 31.700 -0.090 0.000 0.901 107 V N 1.430 121.362 119.914 0.031 0.000 2.612 107 V HA 0.521 4.652 4.120 0.018 0.000 0.301 107 V C 0.197 176.347 176.094 0.094 0.000 1.059 107 V CA -0.960 61.365 62.300 0.042 0.000 0.886 107 V CB 1.633 33.438 31.823 -0.030 0.000 1.007 107 V HN 0.740 nan 8.190 nan 0.000 0.426 108 A N 4.382 127.281 122.820 0.131 0.000 2.322 108 A HA 0.805 5.136 4.320 0.018 0.000 0.269 108 A C -0.349 177.263 177.584 0.047 0.000 1.094 108 A CA -0.352 51.747 52.037 0.104 0.000 0.807 108 A CB 0.948 20.033 19.000 0.142 0.000 1.047 108 A HN 0.770 nan 8.150 nan 0.000 0.487 109 V N 0.926 120.852 119.914 0.020 0.000 2.513 109 V HA 0.672 4.803 4.120 0.018 0.000 0.299 109 V C 0.420 176.464 176.094 -0.083 0.000 1.035 109 V CA -0.130 62.164 62.300 -0.009 0.000 0.889 109 V CB 1.268 33.091 31.823 0.001 0.000 0.988 109 V HN 1.195 nan 8.190 nan 0.000 0.440 110 A N 4.924 127.660 122.820 -0.139 0.000 2.355 110 A HA 0.847 5.178 4.320 0.018 0.000 0.317 110 A C -1.057 176.337 177.584 -0.318 0.000 1.094 110 A CA -0.549 51.260 52.037 -0.381 0.000 0.764 110 A CB 1.343 19.952 19.000 -0.652 0.000 1.230 110 A HN 0.902 nan 8.150 nan 0.000 0.448 111 L N 2.397 123.390 121.223 -0.383 0.000 2.287 111 L HA 0.474 4.824 4.340 0.018 0.000 0.287 111 L C -1.036 175.677 176.870 -0.262 0.000 1.022 111 L CA -0.493 54.187 54.840 -0.265 0.000 0.814 111 L CB 1.099 42.943 42.059 -0.358 0.000 1.217 111 L HN 0.712 nan 8.230 nan 0.000 0.420 112 D N 4.020 124.397 120.400 -0.038 0.000 2.392 112 D HA 0.178 4.829 4.640 0.018 0.000 0.228 112 D C -0.176 176.188 176.300 0.107 0.000 1.074 112 D CA -0.180 53.881 54.000 0.103 0.000 0.838 112 D CB 1.511 42.463 40.800 0.253 0.000 1.067 112 D HN 0.626 nan 8.370 nan 0.000 0.511 113 T N 0.894 115.477 114.554 0.049 0.000 2.856 113 T HA 0.071 4.432 4.350 0.018 0.000 0.306 113 T C 1.329 176.101 174.700 0.121 0.000 1.062 113 T CA -0.366 61.763 62.100 0.049 0.000 1.083 113 T CB 1.841 70.722 68.868 0.021 0.000 0.984 113 T HN 0.427 nan 8.240 nan 0.000 0.542 114 K N 1.744 122.227 120.400 0.138 0.000 2.025 114 K HA 0.146 4.477 4.320 0.018 0.000 0.207 114 K C 1.332 178.033 176.600 0.168 0.000 1.049 114 K CA 1.192 57.556 56.287 0.129 0.000 0.933 114 K CB -1.081 31.480 32.500 0.103 0.000 0.714 114 K HN 1.146 nan 8.250 nan 0.000 0.438 115 G N 0.325 109.213 108.800 0.146 0.000 2.645 115 G HA2 -0.221 3.750 3.960 0.018 0.000 0.239 115 G HA3 -0.221 3.750 3.960 0.018 0.000 0.239 115 G C -2.459 172.503 174.900 0.103 0.000 1.331 115 G CA -0.140 45.068 45.100 0.181 0.000 0.890 115 G HN 0.287 nan 8.290 nan 0.000 0.572 116 P HA 0.283 nan 4.420 nan 0.000 0.225 116 P C -0.171 176.905 177.300 -0.373 0.000 1.813 116 P CA 0.229 63.222 63.100 -0.179 0.000 1.013 116 P CB 0.055 31.624 31.700 -0.218 0.000 1.961 117 E N 1.312 121.393 120.200 -0.198 0.000 2.313 117 E HA 0.368 4.729 4.350 0.018 0.000 0.272 117 E C 0.025 176.517 176.600 -0.180 0.000 1.038 117 E CA -0.743 55.546 56.400 -0.184 0.000 0.863 117 E CB 1.090 30.791 29.700 0.002 0.000 1.060 117 E HN 0.326 nan 8.360 nan 0.000 0.402 118 I N 3.179 123.645 120.570 -0.174 0.000 2.354 118 I HA 0.382 4.563 4.170 0.018 0.000 0.292 118 I C 0.028 176.129 176.117 -0.026 0.000 0.989 118 I CA -0.502 60.732 61.300 -0.110 0.000 1.188 118 I CB 1.091 39.016 38.000 -0.125 0.000 1.342 118 I HN 0.215 nan 8.210 nan 0.000 0.457 119 R N 3.358 123.855 120.500 -0.004 0.000 2.621 119 R HA 0.452 4.803 4.340 0.018 0.000 0.284 119 R C -0.291 176.042 176.300 0.055 0.000 0.998 119 R CA -0.736 55.397 56.100 0.056 0.000 0.895 119 R CB 2.517 32.881 30.300 0.106 0.000 1.195 119 R HN 0.774 nan 8.270 nan 0.000 0.450 120 T N -0.845 113.769 114.554 0.100 0.000 2.689 120 T HA 0.344 4.704 4.350 0.018 0.000 0.308 120 T C 0.903 175.817 174.700 0.356 0.000 1.021 120 T CA -0.224 61.975 62.100 0.164 0.000 0.973 120 T CB 0.847 69.802 68.868 0.145 0.000 1.113 120 T HN 0.603 nan 8.240 nan 0.000 0.522 121 G N -0.708 108.387 108.800 0.492 0.000 2.736 121 G HA2 0.599 4.569 3.960 0.018 0.000 0.229 121 G HA3 0.599 4.569 3.960 0.018 0.000 0.229 121 G C -0.613 174.411 174.900 0.207 0.000 1.380 121 G CA -1.322 44.036 45.100 0.432 0.000 1.040 121 G HN 0.833 nan 8.290 nan 0.000 0.568 122 L N 0.834 122.122 121.223 0.109 0.000 2.334 122 L HA 0.340 4.691 4.340 0.018 0.000 0.277 122 L C 0.081 176.994 176.870 0.071 0.000 1.075 122 L CA -0.928 53.953 54.840 0.069 0.000 0.804 122 L CB 1.258 43.329 42.059 0.020 0.000 1.174 122 L HN 0.204 nan 8.230 nan 0.000 0.438 123 I N 2.488 123.100 120.570 0.069 0.000 2.752 123 I HA -0.014 4.167 4.170 0.018 0.000 0.287 123 I C 0.790 176.933 176.117 0.043 0.000 1.188 123 I CA -0.056 61.283 61.300 0.065 0.000 1.427 123 I CB 0.326 38.364 38.000 0.064 0.000 1.365 123 I HN 0.705 nan 8.210 nan 0.000 0.585 124 K N 4.215 124.641 120.400 0.044 0.000 2.440 124 K HA 0.081 4.411 4.320 0.018 0.000 0.270 124 K C 1.032 177.642 176.600 0.017 0.000 0.980 124 K CA 0.166 56.468 56.287 0.024 0.000 0.953 124 K CB 0.199 32.718 32.500 0.031 0.000 0.925 124 K HN 0.740 nan 8.250 nan 0.000 0.497 125 G N 1.256 110.058 108.800 0.004 0.000 2.534 125 G HA2 -0.125 3.845 3.960 0.018 0.000 0.217 125 G HA3 -0.125 3.845 3.960 0.018 0.000 0.217 125 G C 0.127 175.031 174.900 0.007 0.000 1.128 125 G CA 0.292 45.393 45.100 0.002 0.000 0.784 125 G HN 0.745 nan 8.290 nan 0.000 0.542 126 S N -0.694 115.012 115.700 0.010 0.000 2.690 126 S HA 0.719 5.200 4.470 0.018 0.000 0.291 126 S C 0.470 175.083 174.600 0.022 0.000 1.138 126 S CA -0.184 58.023 58.200 0.013 0.000 1.013 126 S CB 1.779 64.985 63.200 0.009 0.000 1.053 126 S HN 1.491 nan 8.310 nan 0.000 0.539 127 G N 1.304 110.117 108.800 0.023 0.000 2.846 127 G HA2 -0.031 3.939 3.960 0.018 0.000 0.660 127 G HA3 -0.031 3.939 3.960 0.018 0.000 0.660 127 G C -0.018 174.904 174.900 0.038 0.000 1.464 127 G CA -0.534 44.585 45.100 0.032 0.000 0.891 127 G HN 1.891 nan 8.290 nan 0.000 0.552 128 T N -1.095 113.488 114.554 0.049 0.000 2.934 128 T HA 0.474 4.835 4.350 0.018 0.000 0.321 128 T C 1.959 176.693 174.700 0.057 0.000 1.080 128 T CA 0.981 63.113 62.100 0.055 0.000 1.132 128 T CB 1.061 69.979 68.868 0.083 0.000 1.039 128 T HN 2.309 nan 8.240 nan 0.000 0.543 129 A N 2.374 125.219 122.820 0.041 0.000 1.958 129 A HA -0.052 4.279 4.320 0.018 0.000 0.221 129 A C 1.012 178.633 177.584 0.062 0.000 1.178 129 A CA 1.368 53.427 52.037 0.038 0.000 0.642 129 A CB -0.581 18.430 19.000 0.018 0.000 0.816 129 A HN 0.933 nan 8.150 nan 0.000 0.453 130 E N -0.868 119.388 120.200 0.093 0.000 2.199 130 E HA 0.452 4.813 4.350 0.018 0.000 0.265 130 E C -0.458 176.270 176.600 0.215 0.000 0.882 130 E CA -0.592 55.898 56.400 0.150 0.000 0.759 130 E CB 2.331 32.137 29.700 0.176 0.000 1.148 130 E HN 0.334 nan 8.360 nan 0.000 0.412 131 V N 0.227 120.234 119.914 0.154 0.000 3.133 131 V HA 0.327 4.457 4.120 0.018 0.000 0.305 131 V C 0.118 176.245 176.094 0.054 0.000 1.084 131 V CA -0.487 61.879 62.300 0.110 0.000 1.089 131 V CB 1.389 33.245 31.823 0.056 0.000 1.073 131 V HN 0.786 nan 8.190 nan 0.000 0.477 132 E N 2.283 122.428 120.200 -0.091 0.000 2.073 132 E HA 0.461 4.821 4.350 0.018 0.000 0.269 132 E C -1.120 175.328 176.600 -0.253 0.000 0.917 132 E CA -0.662 55.490 56.400 -0.413 0.000 0.757 132 E CB 1.130 30.468 29.700 -0.605 0.000 1.111 132 E HN 0.784 nan 8.360 nan 0.000 0.410 133 L N 4.994 126.082 121.223 -0.224 0.000 2.281 133 L HA 0.348 4.699 4.340 0.018 0.000 0.285 133 L C 0.240 177.010 176.870 -0.167 0.000 1.074 133 L CA -0.242 54.512 54.840 -0.144 0.000 0.817 133 L CB 0.600 42.603 42.059 -0.093 0.000 1.168 133 L HN 0.354 nan 8.230 nan 0.000 0.434 134 K N 2.749 123.072 120.400 -0.129 0.000 2.118 134 K HA 0.330 4.660 4.320 0.018 0.000 0.254 134 K C -0.386 176.168 176.600 -0.076 0.000 0.961 134 K CA -1.049 55.171 56.287 -0.111 0.000 0.876 134 K CB 1.879 34.323 32.500 -0.095 0.000 1.077 134 K HN 0.320 nan 8.250 nan 0.000 0.440 135 K N 0.542 120.904 120.400 -0.063 0.000 2.491 135 K HA -0.071 4.260 4.320 0.018 0.000 0.279 135 K C 0.681 177.257 176.600 -0.039 0.000 1.026 135 K CA 1.411 57.670 56.287 -0.046 0.000 1.070 135 K CB -0.111 32.369 32.500 -0.034 0.000 0.887 135 K HN 0.798 nan 8.250 nan 0.000 0.481 136 G N 1.802 110.580 108.800 -0.037 0.000 2.195 136 G HA2 -0.270 3.700 3.960 0.018 0.000 0.246 136 G HA3 -0.270 3.700 3.960 0.018 0.000 0.246 136 G C 0.154 175.035 174.900 -0.032 0.000 0.984 136 G CA 0.058 45.140 45.100 -0.031 0.000 0.633 136 G HN 0.923 nan 8.290 nan 0.000 0.525 137 A N -0.410 122.387 122.820 -0.038 0.000 2.240 137 A HA 0.849 5.180 4.320 0.018 0.000 0.292 137 A C 0.547 178.109 177.584 -0.036 0.000 1.121 137 A CA 0.858 52.873 52.037 -0.037 0.000 0.851 137 A CB 0.652 19.625 19.000 -0.044 0.000 1.167 137 A HN 0.709 nan 8.150 nan 0.000 0.503 138 T N 0.210 114.743 114.554 -0.034 0.000 2.895 138 T HA 0.571 4.931 4.350 0.018 0.000 0.283 138 T C -1.085 173.594 174.700 -0.035 0.000 1.014 138 T CA -0.084 61.997 62.100 -0.032 0.000 1.037 138 T CB 1.053 69.903 68.868 -0.029 0.000 1.006 138 T HN 0.673 nan 8.240 nan 0.000 0.468 139 L N 2.548 123.751 121.223 -0.033 0.000 2.580 139 L HA 0.498 4.849 4.340 0.018 0.000 0.266 139 L C -0.812 176.039 176.870 -0.030 0.000 0.955 139 L CA -0.570 54.251 54.840 -0.033 0.000 0.886 139 L CB 1.643 43.684 42.059 -0.031 0.000 1.263 139 L HN 0.519 nan 8.230 nan 0.000 0.406 140 K N 5.585 125.958 120.400 -0.044 0.000 2.248 140 K HA 0.543 4.873 4.320 0.018 0.000 0.281 140 K C -0.807 175.770 176.600 -0.039 0.000 1.054 140 K CA -0.442 55.817 56.287 -0.046 0.000 0.903 140 K CB 0.621 33.056 32.500 -0.110 0.000 1.077 140 K HN 0.704 nan 8.250 nan 0.000 0.474 141 I N 3.424 123.990 120.570 -0.007 0.000 2.371 141 I HA 0.081 4.261 4.170 0.018 0.000 0.290 141 I C 0.482 176.600 176.117 0.002 0.000 1.028 141 I CA -0.195 61.098 61.300 -0.012 0.000 1.345 141 I CB 1.590 39.578 38.000 -0.021 0.000 1.407 141 I HN 0.572 nan 8.210 nan 0.000 0.501 142 T N 5.774 120.318 114.554 -0.017 0.000 2.885 142 T HA 0.502 4.863 4.350 0.018 0.000 0.285 142 T C 0.318 175.025 174.700 0.011 0.000 1.019 142 T CA -0.432 61.675 62.100 0.013 0.000 1.010 142 T CB 1.229 70.057 68.868 -0.068 0.000 1.022 142 T HN 0.373 nan 8.240 nan 0.000 0.466 143 L N 2.520 123.775 121.223 0.053 0.000 2.693 143 L HA 0.377 4.727 4.340 0.018 0.000 0.235 143 L C 0.812 177.863 176.870 0.302 0.000 1.127 143 L CA 0.102 54.951 54.840 0.016 0.000 0.914 143 L CB 0.150 42.186 42.059 -0.039 0.000 1.193 143 L HN 0.592 nan 8.230 nan 0.000 0.502 144 D N 0.179 120.797 120.400 0.362 0.000 2.342 144 D HA -0.061 4.590 4.640 0.018 0.000 0.260 144 D C 0.991 177.580 176.300 0.482 0.000 1.278 144 D CA 0.245 54.477 54.000 0.387 0.000 0.910 144 D CB 0.652 41.663 40.800 0.351 0.000 1.079 144 D HN -0.007 nan 8.370 nan 0.000 0.496 145 N N 3.019 121.923 118.700 0.341 0.000 2.334 145 N HA -0.168 4.582 4.740 0.018 0.000 0.187 145 N C 1.536 176.958 175.510 -0.147 0.000 1.016 145 N CA 1.034 54.116 53.050 0.054 0.000 0.879 145 N CB -0.127 38.405 38.487 0.074 0.000 0.965 145 N HN 0.562 nan 8.380 nan 0.000 0.438 146 A N -0.656 122.145 122.820 -0.031 0.000 2.076 146 A HA -0.138 4.192 4.320 0.018 0.000 0.220 146 A C 1.129 178.524 177.584 -0.316 0.000 1.160 146 A CA 1.011 52.941 52.037 -0.179 0.000 0.653 146 A CB -0.589 18.293 19.000 -0.196 0.000 0.801 146 A HN 0.398 nan 8.150 nan 0.000 0.455 147 Y N -0.424 119.798 120.300 -0.130 0.000 2.485 147 Y HA 0.171 4.731 4.550 0.018 0.000 0.260 147 Y C 2.087 177.829 175.900 -0.263 0.000 1.173 147 Y CA 0.309 58.352 58.100 -0.096 0.000 1.252 147 Y CB -0.299 38.201 38.460 0.068 0.000 1.123 147 Y HN 0.500 nan 8.280 nan 0.000 0.524 148 M N -0.965 118.273 119.600 -0.603 0.000 2.374 148 M HA -0.062 4.429 4.480 0.018 0.000 0.264 148 M C 0.293 176.309 176.300 -0.473 0.000 1.067 148 M CA 1.958 56.562 55.300 -1.161 0.000 1.103 148 M CB 0.027 31.501 32.600 -1.877 0.000 1.402 148 M HN 0.133 nan 8.290 nan 0.000 0.444 149 E N 0.664 120.706 120.200 -0.264 0.000 2.660 149 E HA 0.189 4.549 4.350 0.018 0.000 0.216 149 E C -0.417 176.151 176.600 -0.053 0.000 0.986 149 E CA -0.038 56.285 56.400 -0.129 0.000 1.037 149 E CB 0.692 30.311 29.700 -0.133 0.000 1.041 149 E HN 0.553 nan 8.360 nan 0.000 0.480 150 K N 1.104 121.494 120.400 -0.017 0.000 3.237 150 K HA 0.283 4.613 4.320 0.018 0.000 0.197 150 K C -0.768 175.915 176.600 0.138 0.000 1.133 150 K CA -0.288 56.022 56.287 0.039 0.000 0.944 150 K CB 0.561 33.052 32.500 -0.015 0.000 0.952 150 K HN -0.012 nan 8.250 nan 0.000 0.515 151 C N 1.921 121.299 119.300 0.131 0.000 2.539 151 C HA 0.384 4.855 4.460 0.018 0.000 0.392 151 C C 0.563 175.617 174.990 0.106 0.000 1.269 151 C CA -0.395 58.713 59.018 0.150 0.000 2.250 151 C CB -0.071 27.766 27.740 0.162 0.000 2.584 151 C HN 0.749 nan 8.230 nan 0.000 0.589 152 D N 0.442 120.896 120.400 0.091 0.000 3.057 152 D HA 0.137 4.788 4.640 0.018 0.000 0.328 152 D C 0.537 176.860 176.300 0.039 0.000 1.317 152 D CA -0.492 53.546 54.000 0.063 0.000 0.973 152 D CB -0.058 40.777 40.800 0.059 0.000 1.424 152 D HN 0.495 nan 8.370 nan 0.000 0.569 153 E N -0.201 120.012 120.200 0.021 0.000 2.427 153 E HA -0.054 4.306 4.350 0.018 0.000 0.196 153 E C 0.129 176.723 176.600 -0.010 0.000 1.028 153 E CA 0.661 57.059 56.400 -0.002 0.000 0.864 153 E CB -0.265 29.425 29.700 -0.016 0.000 0.813 153 E HN 0.315 nan 8.360 nan 0.000 0.514 154 N N 0.443 119.140 118.700 -0.005 0.000 2.432 154 N HA 0.218 4.969 4.740 0.018 0.000 0.174 154 N C 0.175 175.659 175.510 -0.042 0.000 1.037 154 N CA 0.226 53.263 53.050 -0.022 0.000 0.892 154 N CB 1.302 39.779 38.487 -0.017 0.000 1.049 154 N HN 0.191 nan 8.380 nan 0.000 0.442 155 I N 0.934 121.487 120.570 -0.029 0.000 2.534 155 I HA 0.279 4.460 4.170 0.018 0.000 0.288 155 I C -1.855 174.268 176.117 0.010 0.000 1.077 155 I CA -0.877 60.383 61.300 -0.067 0.000 1.051 155 I CB 2.041 39.922 38.000 -0.198 0.000 1.234 155 I HN -0.234 nan 8.210 nan 0.000 0.425 156 L N 8.479 129.713 121.223 0.018 0.000 2.342 156 L HA 0.473 4.823 4.340 0.018 0.000 0.276 156 L C -1.409 175.537 176.870 0.127 0.000 0.997 156 L CA -0.141 54.749 54.840 0.084 0.000 0.838 156 L CB 1.112 43.199 42.059 0.048 0.000 1.224 156 L HN 0.671 nan 8.230 nan 0.000 0.416 157 W N 7.285 128.605 121.300 0.034 0.000 2.261 157 W HA 0.544 5.214 4.660 0.018 0.000 0.323 157 W C -1.072 175.482 176.519 0.058 0.000 1.243 157 W CA -0.268 57.110 57.345 0.055 0.000 1.210 157 W CB 0.948 30.468 29.460 0.099 0.000 1.149 157 W HN 0.540 nan 8.180 nan 0.000 0.562 158 L N 2.645 123.383 121.223 -0.808 0.000 2.341 158 L HA 0.591 4.942 4.340 0.018 0.000 0.254 158 L C -0.015 175.929 176.870 -1.544 0.000 1.040 158 L CA -0.848 53.489 54.840 -0.838 0.000 0.837 158 L CB 1.584 43.450 42.059 -0.322 0.000 1.425 158 L HN 0.469 nan 8.230 nan 0.000 0.414 159 D N -1.401 118.488 120.400 -0.852 0.000 2.368 159 D HA 0.053 4.704 4.640 0.018 0.000 0.218 159 D C -0.253 175.967 176.300 -0.133 0.000 1.112 159 D CA 0.135 53.821 54.000 -0.523 0.000 0.834 159 D CB -0.215 40.545 40.800 -0.067 0.000 0.953 159 D HN 0.496 nan 8.370 nan 0.000 0.505 160 Y N 2.276 122.403 120.300 -0.287 0.000 2.676 160 Y HA 0.295 4.856 4.550 0.018 0.000 0.338 160 Y C 0.863 176.670 175.900 -0.155 0.000 1.057 160 Y CA -1.529 56.468 58.100 -0.172 0.000 1.314 160 Y CB 0.715 39.086 38.460 -0.149 0.000 1.164 160 Y HN -0.264 nan 8.280 nan 0.000 0.509 161 K N 2.673 123.002 120.400 -0.119 0.000 2.442 161 K HA -0.118 4.212 4.320 0.018 0.000 0.198 161 K C 0.532 176.941 176.600 -0.319 0.000 1.044 161 K CA 0.593 56.775 56.287 -0.174 0.000 0.948 161 K CB 0.184 32.658 32.500 -0.044 0.000 0.762 161 K HN 0.490 nan 8.250 nan 0.000 0.472 162 N N 1.018 119.344 118.700 -0.623 0.000 2.275 162 N HA 0.091 4.842 4.740 0.018 0.000 0.236 162 N C 1.074 175.979 175.510 -1.008 0.000 1.154 162 N CA -0.117 52.547 53.050 -0.644 0.000 0.866 162 N CB 0.107 38.397 38.487 -0.328 0.000 1.093 162 N HN 0.141 nan 8.380 nan 0.000 0.515 163 I N -0.321 119.568 120.570 -1.135 0.000 2.163 163 I HA -0.348 3.832 4.170 0.018 0.000 0.243 163 I C 1.559 177.489 176.117 -0.311 0.000 1.085 163 I CA 1.271 62.151 61.300 -0.700 0.000 1.347 163 I CB 0.018 37.825 38.000 -0.321 0.000 1.044 163 I HN 0.141 nan 8.210 nan 0.000 0.408 164 C N 0.783 119.923 119.300 -0.267 0.000 2.411 164 C HA -0.156 4.315 4.460 0.018 0.000 0.279 164 C C 2.579 177.482 174.990 -0.146 0.000 1.288 164 C CA 0.886 59.796 59.018 -0.180 0.000 1.764 164 C CB -1.146 26.483 27.740 -0.184 0.000 1.974 164 C HN 0.449 nan 8.230 nan 0.000 0.498 165 K N 0.876 121.181 120.400 -0.158 0.000 2.148 165 K HA -0.074 4.256 4.320 0.018 0.000 0.204 165 K C 1.578 178.141 176.600 -0.061 0.000 1.050 165 K CA 1.312 57.538 56.287 -0.103 0.000 0.942 165 K CB -0.131 32.311 32.500 -0.097 0.000 0.724 165 K HN 0.567 nan 8.250 nan 0.000 0.446 166 V N -3.045 116.841 119.914 -0.046 0.000 3.483 166 V HA 0.314 4.445 4.120 0.018 0.000 0.301 166 V C 0.114 176.212 176.094 0.006 0.000 1.389 166 V CA -0.565 61.739 62.300 0.006 0.000 1.101 166 V CB 0.410 32.279 31.823 0.076 0.000 0.971 166 V HN -0.216 nan 8.190 nan 0.000 0.434 167 V N 2.111 122.012 119.914 -0.022 0.000 2.495 167 V HA 0.571 4.701 4.120 0.018 0.000 0.298 167 V C -0.810 175.266 176.094 -0.031 0.000 1.031 167 V CA -0.456 61.834 62.300 -0.017 0.000 0.871 167 V CB 1.864 33.675 31.823 -0.019 0.000 0.988 167 V HN 0.445 nan 8.190 nan 0.000 0.432 168 D N 2.301 122.689 120.400 -0.021 0.000 2.385 168 D HA 0.456 5.107 4.640 0.018 0.000 0.254 168 D C -0.169 176.116 176.300 -0.025 0.000 1.053 168 D CA -0.461 53.524 54.000 -0.026 0.000 0.992 168 D CB 1.847 42.636 40.800 -0.019 0.000 1.145 168 D HN 0.225 nan 8.370 nan 0.000 0.523 169 V N 0.538 120.436 119.914 -0.027 0.000 2.694 169 V HA 0.336 4.467 4.120 0.018 0.000 0.306 169 V C 1.672 177.756 176.094 -0.016 0.000 1.054 169 V CA 1.399 63.686 62.300 -0.022 0.000 1.161 169 V CB 0.255 32.065 31.823 -0.022 0.000 0.916 169 V HN 0.985 nan 8.190 nan 0.000 0.490 170 G N 3.588 112.379 108.800 -0.014 0.000 2.284 170 G HA2 -0.267 3.703 3.960 0.018 0.000 0.230 170 G HA3 -0.267 3.703 3.960 0.018 0.000 0.230 170 G C 0.566 175.462 174.900 -0.006 0.000 1.021 170 G CA 0.182 45.276 45.100 -0.010 0.000 0.619 170 G HN 0.789 nan 8.290 nan 0.000 0.510 171 S N 2.035 117.732 115.700 -0.004 0.000 2.558 171 S HA 0.406 4.886 4.470 0.018 0.000 0.287 171 S C 0.494 175.094 174.600 -0.000 0.000 1.321 171 S CA 0.216 58.420 58.200 0.007 0.000 1.048 171 S CB 0.595 63.799 63.200 0.008 0.000 0.844 171 S HN 0.402 nan 8.310 nan 0.000 0.512 172 K N 2.164 122.578 120.400 0.023 0.000 2.130 172 K HA 0.484 4.814 4.320 0.018 0.000 0.268 172 K C -0.843 175.757 176.600 -0.001 0.000 0.983 172 K CA -0.525 55.750 56.287 -0.020 0.000 0.893 172 K CB 1.462 33.982 32.500 0.034 0.000 1.066 172 K HN 0.307 nan 8.250 nan 0.000 0.450 173 V N 3.751 123.594 119.914 -0.119 0.000 2.448 173 V HA 0.332 4.463 4.120 0.018 0.000 0.295 173 V C -1.134 174.846 176.094 -0.189 0.000 1.025 173 V CA -0.877 61.393 62.300 -0.051 0.000 0.859 173 V CB 0.936 32.737 31.823 -0.038 0.000 0.988 173 V HN 0.550 nan 8.190 nan 0.000 0.431 174 Y N 3.059 123.368 120.300 0.016 0.000 2.377 174 Y HA 0.731 5.292 4.550 0.018 0.000 0.339 174 Y C -0.029 175.886 175.900 0.026 0.000 1.011 174 Y CA -0.768 57.345 58.100 0.022 0.000 1.093 174 Y CB 2.204 40.681 38.460 0.027 0.000 1.201 174 Y HN 0.359 nan 8.280 nan 0.000 0.455 175 V N 2.399 122.404 119.914 0.153 0.000 2.709 175 V HA 0.355 4.485 4.120 0.018 0.000 0.308 175 V C -1.017 175.148 176.094 0.118 0.000 1.062 175 V CA -1.192 61.174 62.300 0.111 0.000 0.901 175 V CB 1.746 33.607 31.823 0.064 0.000 1.003 175 V HN 0.826 nan 8.190 nan 0.000 0.425 176 D N 4.054 124.522 120.400 0.113 0.000 4.161 176 D HA -0.147 4.504 4.640 0.018 0.000 0.246 176 D C 0.392 176.759 176.300 0.111 0.000 1.064 176 D CA 0.962 55.027 54.000 0.108 0.000 1.187 176 D CB -0.589 40.272 40.800 0.101 0.000 0.871 176 D HN 0.873 nan 8.370 nan 0.000 0.413 177 D N 1.788 122.252 120.400 0.106 0.000 2.845 177 D HA -0.202 4.448 4.640 0.018 0.000 0.229 177 D C 1.353 177.709 176.300 0.092 0.000 1.170 177 D CA 2.536 56.591 54.000 0.091 0.000 0.717 177 D CB -1.376 39.471 40.800 0.079 0.000 1.073 177 D HN 1.358 nan 8.370 nan 0.000 0.424 178 G N -1.224 107.656 108.800 0.134 0.000 2.179 178 G HA2 -0.380 3.590 3.960 0.018 0.000 0.260 178 G HA3 -0.380 3.590 3.960 0.018 0.000 0.260 178 G C 1.132 176.172 174.900 0.234 0.000 0.977 178 G CA 0.494 45.706 45.100 0.187 0.000 0.641 178 G HN 0.487 nan 8.290 nan 0.000 0.533 179 L N -0.405 120.914 121.223 0.160 0.000 2.156 179 L HA 0.297 4.648 4.340 0.018 0.000 0.208 179 L C 1.483 178.421 176.870 0.114 0.000 1.095 179 L CA 0.887 55.803 54.840 0.127 0.000 0.770 179 L CB -0.050 42.071 42.059 0.102 0.000 0.914 179 L HN 0.306 nan 8.230 nan 0.000 0.439 180 I N -0.478 120.155 120.570 0.106 0.000 2.404 180 I HA 0.188 4.369 4.170 0.018 0.000 0.293 180 I C 0.013 176.110 176.117 -0.033 0.000 0.992 180 I CA -0.274 61.048 61.300 0.036 0.000 1.149 180 I CB 1.857 39.872 38.000 0.025 0.000 1.315 180 I HN -0.012 nan 8.210 nan 0.000 0.446 181 S N 7.406 123.018 115.700 -0.148 0.000 2.542 181 S HA 0.862 5.342 4.470 0.018 0.000 0.293 181 S C -1.014 173.428 174.600 -0.264 0.000 1.089 181 S CA -0.742 57.216 58.200 -0.403 0.000 0.961 181 S CB 1.683 64.480 63.200 -0.672 0.000 1.062 181 S HN 0.491 nan 8.310 nan 0.000 0.483 182 L N 1.718 122.772 121.223 -0.281 0.000 2.388 182 L HA 0.621 4.972 4.340 0.018 0.000 0.264 182 L C -0.512 176.266 176.870 -0.152 0.000 0.998 182 L CA -0.762 53.981 54.840 -0.162 0.000 0.817 182 L CB 2.151 44.145 42.059 -0.107 0.000 1.338 182 L HN 0.756 nan 8.230 nan 0.000 0.414 183 Q N 1.433 121.174 119.800 -0.098 0.000 2.322 183 Q HA 0.488 4.838 4.340 0.018 0.000 0.265 183 Q C -1.203 174.770 176.000 -0.044 0.000 0.985 183 Q CA -0.759 55.002 55.803 -0.070 0.000 0.849 183 Q CB 2.286 30.991 28.738 -0.056 0.000 1.274 183 Q HN 0.525 nan 8.270 nan 0.000 0.449 184 V N 5.386 125.279 119.914 -0.035 0.000 2.485 184 V HA -0.006 4.124 4.120 0.018 0.000 0.287 184 V C 0.755 176.838 176.094 -0.018 0.000 1.022 184 V CA 0.368 62.654 62.300 -0.023 0.000 1.067 184 V CB 0.710 32.519 31.823 -0.022 0.000 0.967 184 V HN 0.831 nan 8.190 nan 0.000 0.479 185 K N 2.881 123.274 120.400 -0.011 0.000 2.306 185 K HA 0.281 4.612 4.320 0.018 0.000 0.200 185 K C 0.455 177.054 176.600 -0.001 0.000 1.083 185 K CA 0.476 56.759 56.287 -0.006 0.000 0.959 185 K CB 0.638 33.135 32.500 -0.004 0.000 0.994 185 K HN 0.670 nan 8.250 nan 0.000 0.492 186 Q N 0.165 119.971 119.800 0.010 0.000 2.423 186 Q HA 0.379 4.730 4.340 0.018 0.000 0.278 186 Q C -1.176 174.814 176.000 -0.017 0.000 1.097 186 Q CA -0.558 55.251 55.803 0.011 0.000 0.809 186 Q CB 2.869 31.639 28.738 0.053 0.000 1.391 186 Q HN -0.171 nan 8.270 nan 0.000 0.428 187 K N 0.777 121.131 120.400 -0.077 0.000 2.450 187 K HA 0.501 4.832 4.320 0.018 0.000 0.257 187 K C -0.523 175.867 176.600 -0.350 0.000 0.953 187 K CA -0.393 55.789 56.287 -0.176 0.000 0.844 187 K CB 1.822 34.239 32.500 -0.138 0.000 1.103 187 K HN 0.755 nan 8.250 nan 0.000 0.429 188 G N 2.201 110.554 108.800 -0.744 0.000 2.568 188 G HA2 0.273 4.243 3.960 0.018 0.000 0.293 188 G HA3 0.273 4.243 3.960 0.018 0.000 0.293 188 G C -1.460 172.968 174.900 -0.787 0.000 1.347 188 G CA -0.981 43.308 45.100 -1.352 0.000 1.039 188 G HN 0.277 nan 8.290 nan 0.000 0.523 189 P HA -0.043 nan 4.420 nan 0.000 0.213 189 P C 0.613 177.779 177.300 -0.225 0.000 1.170 189 P CA 1.600 64.532 63.100 -0.281 0.000 0.893 189 P CB 0.212 31.836 31.700 -0.126 0.000 0.784 190 D N -1.202 119.102 120.400 -0.161 0.000 2.571 190 D HA 0.108 4.758 4.640 0.018 0.000 0.239 190 D C -0.167 176.171 176.300 0.064 0.000 1.267 190 D CA -0.490 53.490 54.000 -0.033 0.000 0.823 190 D CB -0.217 40.617 40.800 0.057 0.000 1.056 190 D HN 0.228 nan 8.370 nan 0.000 0.494 191 F N -0.989 118.924 119.950 -0.061 0.000 2.613 191 F HA 0.661 5.199 4.527 0.018 0.000 0.310 191 F C -1.981 173.779 175.800 -0.067 0.000 1.085 191 F CA -1.418 56.541 58.000 -0.068 0.000 0.945 191 F CB 1.250 40.212 39.000 -0.063 0.000 1.298 191 F HN -0.308 nan 8.300 nan 0.000 0.455 192 L N 3.025 124.346 121.223 0.163 0.000 2.341 192 L HA 0.735 5.086 4.340 0.018 0.000 0.278 192 L C -0.871 176.090 176.870 0.150 0.000 1.005 192 L CA -1.302 53.592 54.840 0.090 0.000 0.818 192 L CB 1.967 44.030 42.059 0.007 0.000 1.259 192 L HN 0.567 nan 8.230 nan 0.000 0.418 193 V N 1.306 121.303 119.914 0.139 0.000 2.407 193 V HA 0.557 4.688 4.120 0.018 0.000 0.278 193 V C 0.410 176.521 176.094 0.028 0.000 1.037 193 V CA -0.341 62.007 62.300 0.080 0.000 0.900 193 V CB 1.480 33.356 31.823 0.090 0.000 0.983 193 V HN 0.922 nan 8.190 nan 0.000 0.459 194 T N 1.310 115.865 114.554 0.003 0.000 2.930 194 T HA 0.678 5.038 4.350 0.018 0.000 0.290 194 T C -0.744 173.941 174.700 -0.025 0.000 1.052 194 T CA -0.769 61.321 62.100 -0.016 0.000 1.017 194 T CB 2.341 71.192 68.868 -0.029 0.000 1.137 194 T HN 0.677 nan 8.240 nan 0.000 0.511 195 E N 0.867 121.047 120.200 -0.033 0.000 2.183 195 E HA 0.521 4.881 4.350 0.018 0.000 0.271 195 E C -0.932 175.637 176.600 -0.052 0.000 0.919 195 E CA -1.033 55.344 56.400 -0.037 0.000 0.781 195 E CB 1.726 31.407 29.700 -0.032 0.000 1.140 195 E HN 0.574 nan 8.360 nan 0.000 0.402 196 V N 4.926 124.808 119.914 -0.053 0.000 2.397 196 V HA -0.009 4.121 4.120 0.018 0.000 0.262 196 V C 1.241 177.297 176.094 -0.063 0.000 1.047 196 V CA 0.417 62.678 62.300 -0.064 0.000 1.003 196 V CB 0.691 32.477 31.823 -0.062 0.000 1.037 196 V HN 0.871 nan 8.190 nan 0.000 0.480 197 E N 3.893 124.046 120.200 -0.079 0.000 2.033 197 E HA -0.038 4.322 4.350 0.018 0.000 0.189 197 E C 0.588 177.154 176.600 -0.058 0.000 0.979 197 E CA 0.534 56.892 56.400 -0.069 0.000 0.802 197 E CB 0.291 29.937 29.700 -0.089 0.000 0.763 197 E HN 0.661 nan 8.360 nan 0.000 0.449 198 N N 0.330 118.987 118.700 -0.072 0.000 2.479 198 N HA 0.238 4.989 4.740 0.018 0.000 0.261 198 N C -0.756 174.728 175.510 -0.043 0.000 0.979 198 N CA -0.067 52.957 53.050 -0.042 0.000 0.930 198 N CB 1.654 40.129 38.487 -0.021 0.000 1.172 198 N HN 0.136 nan 8.380 nan 0.000 0.499 199 G N 0.074 108.848 108.800 -0.043 0.000 2.572 199 G HA2 0.634 4.604 3.960 0.018 0.000 0.261 199 G HA3 0.634 4.604 3.960 0.018 0.000 0.261 199 G C 0.087 174.953 174.900 -0.057 0.000 1.197 199 G CA -0.164 44.895 45.100 -0.068 0.000 0.870 199 G HN 0.581 nan 8.290 nan 0.000 0.548 200 G N -1.468 107.265 108.800 -0.112 0.000 2.328 200 G HA2 0.431 4.402 3.960 0.018 0.000 0.295 200 G HA3 0.431 4.402 3.960 0.018 0.000 0.295 200 G C -1.557 173.240 174.900 -0.171 0.000 1.413 200 G CA -1.023 44.036 45.100 -0.068 0.000 0.817 200 G HN 0.445 nan 8.290 nan 0.000 0.546 201 F N 0.233 120.198 119.950 0.025 0.000 2.411 201 F HA 0.559 5.097 4.527 0.017 0.000 0.355 201 F C 0.465 176.283 175.800 0.031 0.000 1.117 201 F CA -0.454 57.561 58.000 0.025 0.000 1.139 201 F CB 1.762 40.776 39.000 0.023 0.000 1.120 201 F HN 0.330 nan 8.300 nan 0.000 0.493 202 L N 4.531 125.848 121.223 0.157 0.000 2.272 202 L HA 0.722 5.073 4.340 0.018 0.000 0.289 202 L C 0.196 177.139 176.870 0.121 0.000 1.032 202 L CA 0.179 55.088 54.840 0.115 0.000 0.810 202 L CB 0.605 42.705 42.059 0.068 0.000 1.205 202 L HN 0.623 nan 8.230 nan 0.000 0.422 203 G N 2.675 111.541 108.800 0.110 0.000 2.641 203 G HA2 0.471 4.442 3.960 0.018 0.000 0.239 203 G HA3 0.471 4.442 3.960 0.018 0.000 0.239 203 G C -0.837 174.117 174.900 0.091 0.000 1.402 203 G CA -0.634 44.522 45.100 0.093 0.000 1.046 203 G HN 0.597 nan 8.290 nan 0.000 0.565 204 S N 0.219 115.968 115.700 0.081 0.000 2.585 204 S HA 0.402 4.882 4.470 0.018 0.000 0.277 204 S C -0.185 174.478 174.600 0.105 0.000 1.241 204 S CA -0.558 57.696 58.200 0.090 0.000 1.041 204 S CB 1.216 64.457 63.200 0.067 0.000 0.987 204 S HN 0.504 nan 8.310 nan 0.000 0.512 205 K N 0.879 121.360 120.400 0.136 0.000 3.451 205 K HA -0.136 4.195 4.320 0.018 0.000 0.273 205 K C -0.833 175.856 176.600 0.148 0.000 0.944 205 K CA 0.610 56.991 56.287 0.157 0.000 0.734 205 K CB -1.047 31.546 32.500 0.155 0.000 1.437 205 K HN 0.391 nan 8.250 nan 0.000 0.454 206 K N 0.106 120.586 120.400 0.133 0.000 2.110 206 K HA 0.337 4.668 4.320 0.018 0.000 0.263 206 K C 0.832 177.500 176.600 0.113 0.000 0.975 206 K CA -0.336 56.024 56.287 0.121 0.000 0.895 206 K CB 1.249 33.813 32.500 0.107 0.000 1.060 206 K HN 0.336 nan 8.250 nan 0.000 0.448 207 G N 0.855 109.724 108.800 0.115 0.000 2.361 207 G HA2 0.328 4.299 3.960 0.018 0.000 0.260 207 G HA3 0.328 4.299 3.960 0.018 0.000 0.260 207 G C -0.364 174.591 174.900 0.091 0.000 1.261 207 G CA -0.396 44.766 45.100 0.103 0.000 0.897 207 G HN 0.226 nan 8.290 nan 0.000 0.499 208 V N 3.080 123.032 119.914 0.062 0.000 2.481 208 V HA 0.314 4.445 4.120 0.018 0.000 0.286 208 V C -0.050 176.075 176.094 0.053 0.000 1.042 208 V CA -0.865 61.473 62.300 0.063 0.000 0.928 208 V CB 1.685 33.529 31.823 0.034 0.000 0.986 208 V HN 0.760 nan 8.190 nan 0.000 0.462 209 N N 3.390 122.153 118.700 0.105 0.000 2.314 209 N HA 0.617 5.368 4.740 0.018 0.000 0.294 209 N C -1.044 174.541 175.510 0.125 0.000 1.029 209 N CA -0.555 52.543 53.050 0.080 0.000 0.845 209 N CB 1.889 40.415 38.487 0.065 0.000 1.321 209 N HN 0.568 nan 8.380 nan 0.000 0.481 210 L N 3.591 124.849 121.223 0.057 0.000 2.504 210 L HA 0.398 4.749 4.340 0.018 0.000 0.249 210 L C -1.691 175.215 176.870 0.060 0.000 1.120 210 L CA -1.435 53.452 54.840 0.078 0.000 0.997 210 L CB 0.923 43.013 42.059 0.051 0.000 1.349 210 L HN 0.423 nan 8.230 nan 0.000 0.439 211 P HA -0.114 nan 4.420 nan 0.000 0.216 211 P C 1.669 178.995 177.300 0.044 0.000 1.153 211 P CA 1.044 64.169 63.100 0.041 0.000 0.848 211 P CB 0.359 32.064 31.700 0.008 0.000 0.787 212 G N 0.281 109.115 108.800 0.058 0.000 2.433 212 G HA2 -0.089 3.882 3.960 0.018 0.000 0.216 212 G HA3 -0.089 3.882 3.960 0.018 0.000 0.216 212 G C 0.714 175.624 174.900 0.017 0.000 1.186 212 G CA 0.663 45.782 45.100 0.032 0.000 0.779 212 G HN 0.507 nan 8.290 nan 0.000 0.543 213 A N 0.217 123.054 122.820 0.027 0.000 2.520 213 A HA 0.518 4.848 4.320 0.018 0.000 0.235 213 A C 0.781 178.372 177.584 0.011 0.000 1.065 213 A CA 0.525 52.576 52.037 0.024 0.000 0.764 213 A CB 0.148 19.177 19.000 0.048 0.000 1.002 213 A HN 1.253 nan 8.150 nan 0.000 0.502 214 A N 2.920 125.747 122.820 0.012 0.000 2.798 214 A HA 0.493 4.824 4.320 0.018 0.000 0.316 214 A C 0.111 177.704 177.584 0.016 0.000 1.506 214 A CA -0.386 51.655 52.037 0.006 0.000 1.162 214 A CB -0.646 18.356 19.000 0.004 0.000 1.138 214 A HN 0.896 nan 8.150 nan 0.000 0.532 215 V N 3.125 123.028 119.914 -0.019 0.000 2.493 215 V HA -0.011 4.119 4.120 0.018 0.000 0.292 215 V C 0.870 176.935 176.094 -0.048 0.000 1.016 215 V CA 0.918 63.180 62.300 -0.064 0.000 1.097 215 V CB 0.618 32.293 31.823 -0.246 0.000 0.947 215 V HN 0.968 nan 8.190 nan 0.000 0.479 216 D N 3.821 124.250 120.400 0.049 0.000 2.358 216 D HA 0.123 4.774 4.640 0.018 0.000 0.224 216 D C 0.343 176.663 176.300 0.035 0.000 1.123 216 D CA -0.238 53.794 54.000 0.053 0.000 0.833 216 D CB -0.054 40.801 40.800 0.092 0.000 0.946 216 D HN 0.422 nan 8.370 nan 0.000 0.505 217 L N 0.832 122.013 121.223 -0.071 0.000 2.473 217 L HA 0.249 4.599 4.340 0.018 0.000 0.268 217 L C -1.572 175.272 176.870 -0.044 0.000 1.215 217 L CA -1.579 53.213 54.840 -0.079 0.000 0.823 217 L CB 0.054 41.967 42.059 -0.243 0.000 1.099 217 L HN 0.002 nan 8.230 nan 0.000 0.483 218 P HA 0.061 nan 4.420 nan 0.000 0.276 218 P C -0.020 177.277 177.300 -0.004 0.000 1.230 218 P CA -0.264 62.835 63.100 -0.001 0.000 0.776 218 P CB 1.206 32.915 31.700 0.015 0.000 0.888 219 A N 3.973 126.798 122.820 0.008 0.000 1.884 219 A HA -0.100 4.230 4.320 0.018 0.000 0.219 219 A C 0.990 178.597 177.584 0.037 0.000 1.197 219 A CA 1.642 53.696 52.037 0.027 0.000 0.637 219 A CB -0.850 18.167 19.000 0.028 0.000 0.827 219 A HN 0.453 nan 8.150 nan 0.000 0.450 220 V N 1.114 121.046 119.914 0.030 0.000 2.325 220 V HA 0.383 4.513 4.120 0.018 0.000 0.280 220 V C 0.322 176.434 176.094 0.030 0.000 1.016 220 V CA -0.172 62.146 62.300 0.031 0.000 0.818 220 V CB 0.791 32.631 31.823 0.028 0.000 1.019 220 V HN 0.620 nan 8.190 nan 0.000 0.434 221 S N 2.793 118.514 115.700 0.033 0.000 2.652 221 S HA 0.334 4.815 4.470 0.018 0.000 0.267 221 S C 1.121 175.746 174.600 0.041 0.000 1.201 221 S CA 0.045 58.266 58.200 0.035 0.000 0.996 221 S CB 1.361 64.583 63.200 0.036 0.000 1.054 221 S HN 0.618 nan 8.310 nan 0.000 0.561 222 E N 0.856 121.082 120.200 0.043 0.000 2.051 222 E HA -0.161 4.200 4.350 0.018 0.000 0.192 222 E C 1.880 178.513 176.600 0.055 0.000 0.991 222 E CA 1.703 58.130 56.400 0.045 0.000 0.799 222 E CB -0.354 29.371 29.700 0.042 0.000 0.748 222 E HN 0.659 nan 8.360 nan 0.000 0.449 223 K N 0.209 120.645 120.400 0.061 0.000 2.002 223 K HA -0.183 4.148 4.320 0.018 0.000 0.209 223 K C 1.537 178.194 176.600 0.095 0.000 1.048 223 K CA 1.799 58.136 56.287 0.082 0.000 0.930 223 K CB -0.366 32.186 32.500 0.087 0.000 0.714 223 K HN 0.122 nan 8.250 nan 0.000 0.438 224 D N 1.017 121.460 120.400 0.071 0.000 2.149 224 D HA -0.204 4.447 4.640 0.018 0.000 0.194 224 D C 1.969 178.288 176.300 0.033 0.000 1.001 224 D CA 1.227 55.255 54.000 0.047 0.000 0.849 224 D CB -0.280 40.544 40.800 0.040 0.000 0.939 224 D HN 0.326 nan 8.370 nan 0.000 0.449 225 I N 0.555 121.153 120.570 0.046 0.000 2.179 225 I HA -0.253 3.928 4.170 0.018 0.000 0.242 225 I C 2.480 178.639 176.117 0.070 0.000 1.088 225 I CA 0.926 62.253 61.300 0.045 0.000 1.357 225 I CB -0.139 37.888 38.000 0.044 0.000 1.051 225 I HN -0.041 nan 8.210 nan 0.000 0.409 226 Q N 0.533 120.395 119.800 0.104 0.000 2.084 226 Q HA -0.212 4.138 4.340 0.018 0.000 0.202 226 Q C 1.805 177.951 176.000 0.243 0.000 0.978 226 Q CA 1.585 57.495 55.803 0.178 0.000 0.844 226 Q CB -0.438 28.399 28.738 0.165 0.000 0.898 226 Q HN 0.512 nan 8.270 nan 0.000 0.426 227 D N 0.491 120.990 120.400 0.166 0.000 2.084 227 D HA -0.121 4.529 4.640 0.018 0.000 0.194 227 D C 2.177 178.377 176.300 -0.167 0.000 0.990 227 D CA 0.806 54.781 54.000 -0.042 0.000 0.826 227 D CB -0.383 40.328 40.800 -0.147 0.000 0.971 227 D HN 0.169 nan 8.370 nan 0.000 0.453 228 L N 0.574 121.727 121.223 -0.116 0.000 2.042 228 L HA -0.189 4.161 4.340 0.018 0.000 0.210 228 L C 2.335 179.177 176.870 -0.048 0.000 1.076 228 L CA 1.276 56.053 54.840 -0.106 0.000 0.749 228 L CB -0.387 41.634 42.059 -0.062 0.000 0.893 228 L HN 0.013 nan 8.230 nan 0.000 0.432 229 K N -0.687 119.727 120.400 0.023 0.000 2.148 229 K HA -0.181 4.149 4.320 0.018 0.000 0.204 229 K C 2.104 178.744 176.600 0.067 0.000 1.050 229 K CA 1.308 57.623 56.287 0.047 0.000 0.942 229 K CB -0.268 32.282 32.500 0.082 0.000 0.724 229 K HN 0.145 nan 8.250 nan 0.000 0.446 230 F N 1.693 121.603 119.950 -0.067 0.000 2.134 230 F HA -0.093 4.445 4.527 0.017 0.000 0.299 230 F C 2.147 177.870 175.800 -0.129 0.000 1.097 230 F CA 1.664 59.602 58.000 -0.103 0.000 1.264 230 F CB -0.684 38.135 39.000 -0.301 0.000 1.001 230 F HN -0.011 nan 8.300 nan 0.000 0.479 231 G N 0.020 108.706 108.800 -0.190 0.000 2.442 231 G HA2 -0.223 3.748 3.960 0.018 0.000 0.219 231 G HA3 -0.223 3.748 3.960 0.018 0.000 0.219 231 G C 1.739 176.508 174.900 -0.219 0.000 1.141 231 G CA 1.272 46.215 45.100 -0.261 0.000 0.763 231 G HN 0.355 nan 8.290 nan 0.000 0.554 232 V N 0.678 120.502 119.914 -0.151 0.000 2.261 232 V HA -0.139 3.991 4.120 0.018 0.000 0.246 232 V C 2.812 178.827 176.094 -0.132 0.000 1.047 232 V CA 1.987 64.222 62.300 -0.110 0.000 1.015 232 V CB -0.377 31.409 31.823 -0.061 0.000 0.642 232 V HN 0.288 nan 8.190 nan 0.000 0.446 233 E N 0.035 120.139 120.200 -0.159 0.000 2.085 233 E HA -0.215 4.145 4.350 0.018 0.000 0.194 233 E C 2.211 178.669 176.600 -0.236 0.000 0.994 233 E CA 1.117 57.417 56.400 -0.167 0.000 0.801 233 E CB -0.324 29.293 29.700 -0.138 0.000 0.743 233 E HN 0.583 nan 8.360 nan 0.000 0.453 234 Q N 0.588 120.145 119.800 -0.405 0.000 2.482 234 Q HA -0.057 4.294 4.340 0.018 0.000 0.209 234 Q C -0.229 175.654 176.000 -0.195 0.000 0.961 234 Q CA 0.422 56.011 55.803 -0.357 0.000 0.945 234 Q CB -0.195 28.209 28.738 -0.558 0.000 1.012 234 Q HN 0.239 nan 8.270 nan 0.000 0.515 235 D N 0.022 120.326 120.400 -0.160 0.000 2.705 235 D HA -0.150 4.501 4.640 0.018 0.000 0.240 235 D C -0.251 176.002 176.300 -0.078 0.000 1.137 235 D CA 0.554 54.498 54.000 -0.093 0.000 0.677 235 D CB -1.163 39.601 40.800 -0.060 0.000 1.049 235 D HN 0.135 nan 8.370 nan 0.000 0.427 236 V N -2.141 117.711 119.914 -0.104 0.000 3.185 236 V HA 0.367 4.498 4.120 0.018 0.000 0.305 236 V C 1.359 177.416 176.094 -0.063 0.000 1.090 236 V CA 0.323 62.569 62.300 -0.089 0.000 1.107 236 V CB 1.417 33.163 31.823 -0.128 0.000 1.061 236 V HN 0.101 nan 8.190 nan 0.000 0.480 237 D N 1.832 122.202 120.400 -0.051 0.000 2.216 237 D HA 0.166 4.817 4.640 0.018 0.000 0.208 237 D C 0.668 176.947 176.300 -0.034 0.000 0.960 237 D CA 1.602 55.591 54.000 -0.019 0.000 0.861 237 D CB 0.351 41.160 40.800 0.015 0.000 0.985 237 D HN 0.808 nan 8.370 nan 0.000 0.493 238 M N -0.993 118.549 119.600 -0.096 0.000 2.569 238 M HA 0.536 5.026 4.480 0.018 0.000 0.279 238 M C -1.524 174.638 176.300 -0.230 0.000 1.253 238 M CA -0.965 54.267 55.300 -0.113 0.000 0.867 238 M CB 3.071 35.631 32.600 -0.068 0.000 1.727 238 M HN -0.435 nan 8.290 nan 0.000 0.467 239 V N 2.161 121.977 119.914 -0.162 0.000 2.540 239 V HA 0.544 4.675 4.120 0.018 0.000 0.302 239 V C -1.328 174.760 176.094 -0.010 0.000 1.035 239 V CA -0.405 61.786 62.300 -0.182 0.000 0.873 239 V CB 1.891 33.651 31.823 -0.105 0.000 0.992 239 V HN 0.668 nan 8.190 nan 0.000 0.428 240 F N 3.389 123.316 119.950 -0.039 0.000 2.350 240 F HA 0.649 5.187 4.527 0.018 0.000 0.365 240 F C 0.717 176.489 175.800 -0.047 0.000 1.122 240 F CA -1.480 56.496 58.000 -0.040 0.000 1.139 240 F CB 0.899 39.881 39.000 -0.030 0.000 1.220 240 F HN 0.509 nan 8.300 nan 0.000 0.499 241 A N 2.706 125.606 122.820 0.132 0.000 2.302 241 A HA 0.533 4.863 4.320 0.018 0.000 0.295 241 A C 0.356 177.954 177.584 0.023 0.000 1.235 241 A CA -0.370 51.700 52.037 0.056 0.000 0.876 241 A CB 0.019 19.038 19.000 0.032 0.000 1.133 241 A HN 0.586 nan 8.150 nan 0.000 0.533 242 S N 1.486 117.198 115.700 0.020 0.000 2.548 242 S HA 0.451 4.931 4.470 0.018 0.000 0.277 242 S C -0.141 174.482 174.600 0.037 0.000 1.315 242 S CA -0.022 58.126 58.200 -0.088 0.000 1.050 242 S CB -0.357 62.820 63.200 -0.037 0.000 0.918 242 S HN 0.788 nan 8.310 nan 0.000 0.497 243 F N 0.077 120.028 119.950 0.001 0.000 3.080 243 F HA -0.158 4.380 4.527 0.018 0.000 0.292 243 F C 0.153 175.946 175.800 -0.011 0.000 0.891 243 F CA -0.338 57.657 58.000 -0.009 0.000 1.086 243 F CB -1.782 37.205 39.000 -0.021 0.000 1.095 243 F HN 0.392 nan 8.300 nan 0.000 0.633 244 I N 1.051 121.674 120.570 0.089 0.000 2.662 244 I HA -0.039 4.142 4.170 0.018 0.000 0.285 244 I C 1.553 177.702 176.117 0.053 0.000 1.161 244 I CA 0.700 62.029 61.300 0.048 0.000 1.415 244 I CB 0.575 38.574 38.000 -0.001 0.000 1.385 244 I HN 0.367 nan 8.210 nan 0.000 0.552 245 R N 4.887 125.414 120.500 0.045 0.000 2.307 245 R HA 0.141 4.491 4.340 0.018 0.000 0.200 245 R C -0.064 176.246 176.300 0.017 0.000 0.893 245 R CA 0.297 56.423 56.100 0.044 0.000 1.042 245 R CB 0.633 30.961 30.300 0.046 0.000 1.059 245 R HN 0.702 nan 8.270 nan 0.000 0.530 246 K N -3.523 116.868 120.400 -0.014 0.000 2.672 246 K HA 0.437 4.767 4.320 0.018 0.000 0.295 246 K C -0.107 176.436 176.600 -0.096 0.000 1.042 246 K CA -0.308 55.955 56.287 -0.040 0.000 0.869 246 K CB 0.585 33.074 32.500 -0.018 0.000 1.541 246 K HN -0.184 nan 8.250 nan 0.000 0.396 247 A N 0.762 123.504 122.820 -0.130 0.000 1.940 247 A HA -0.100 4.230 4.320 0.018 0.000 0.219 247 A C 2.273 179.626 177.584 -0.386 0.000 1.176 247 A CA 2.354 54.225 52.037 -0.277 0.000 0.631 247 A CB -1.242 17.628 19.000 -0.216 0.000 0.814 247 A HN 0.818 nan 8.150 nan 0.000 0.446 248 A N 0.233 122.979 122.820 -0.123 0.000 1.940 248 A HA -0.227 4.103 4.320 0.018 0.000 0.219 248 A C 1.713 179.283 177.584 -0.024 0.000 1.176 248 A CA 2.040 54.081 52.037 0.007 0.000 0.631 248 A CB -0.660 18.371 19.000 0.052 0.000 0.814 248 A HN 0.481 nan 8.150 nan 0.000 0.446 249 D N -0.245 120.124 120.400 -0.053 0.000 2.123 249 D HA -0.120 4.531 4.640 0.018 0.000 0.196 249 D C 1.985 178.257 176.300 -0.047 0.000 0.992 249 D CA 1.552 55.535 54.000 -0.029 0.000 0.833 249 D CB -0.494 40.294 40.800 -0.018 0.000 0.954 249 D HN 0.259 nan 8.370 nan 0.000 0.455 250 V N 0.387 120.223 119.914 -0.130 0.000 2.427 250 V HA -0.213 3.917 4.120 0.018 0.000 0.248 250 V C 1.922 177.982 176.094 -0.057 0.000 1.051 250 V CA 1.593 63.816 62.300 -0.128 0.000 1.048 250 V CB -0.694 31.002 31.823 -0.211 0.000 0.666 250 V HN 0.342 nan 8.190 nan 0.000 0.456 251 H N -0.430 118.635 119.070 -0.008 0.000 2.389 251 H HA -0.148 4.419 4.556 0.018 0.000 0.299 251 H C 2.402 177.729 175.328 -0.002 0.000 1.081 251 H CA 1.247 57.292 56.048 -0.006 0.000 1.345 251 H CB 0.198 29.956 29.762 -0.006 0.000 1.393 251 H HN 0.343 nan 8.280 nan 0.000 0.520 252 E N 0.969 121.235 120.200 0.110 0.000 2.077 252 E HA -0.121 4.239 4.350 0.018 0.000 0.193 252 E C 2.184 178.811 176.600 0.044 0.000 0.989 252 E CA 0.971 57.410 56.400 0.064 0.000 0.800 252 E CB -0.244 29.483 29.700 0.044 0.000 0.746 252 E HN 0.228 nan 8.360 nan 0.000 0.452 253 V N 0.404 120.338 119.914 0.034 0.000 2.270 253 V HA -0.206 3.925 4.120 0.018 0.000 0.245 253 V C 2.532 178.640 176.094 0.023 0.000 1.043 253 V CA 2.003 64.314 62.300 0.019 0.000 1.014 253 V CB -0.605 31.223 31.823 0.008 0.000 0.645 253 V HN 0.190 nan 8.190 nan 0.000 0.447 254 R N 0.723 121.248 120.500 0.041 0.000 2.117 254 R HA -0.206 4.145 4.340 0.018 0.000 0.243 254 R C 2.260 178.581 176.300 0.034 0.000 1.143 254 R CA 1.971 58.098 56.100 0.044 0.000 0.968 254 R CB -0.473 29.876 30.300 0.081 0.000 0.863 254 R HN 0.515 nan 8.270 nan 0.000 0.444 255 K N -0.355 120.068 120.400 0.039 0.000 2.057 255 K HA -0.066 4.264 4.320 0.018 0.000 0.206 255 K C 1.730 178.341 176.600 0.019 0.000 1.050 255 K CA 1.254 57.556 56.287 0.026 0.000 0.935 255 K CB 0.027 32.545 32.500 0.029 0.000 0.715 255 K HN 0.107 nan 8.250 nan 0.000 0.439 256 I N 1.606 122.187 120.570 0.019 0.000 2.202 256 I HA -0.254 3.927 4.170 0.018 0.000 0.242 256 I C 2.238 178.359 176.117 0.006 0.000 1.091 256 I CA 1.308 62.617 61.300 0.014 0.000 1.368 256 I CB -1.194 36.814 38.000 0.012 0.000 1.058 256 I HN 0.220 nan 8.210 nan 0.000 0.410 257 L N 0.369 121.592 121.223 -0.000 0.000 2.079 257 L HA -0.075 4.276 4.340 0.018 0.000 0.210 257 L C 1.587 178.456 176.870 -0.002 0.000 1.081 257 L CA 1.024 55.859 54.840 -0.009 0.000 0.752 257 L CB -1.146 40.905 42.059 -0.013 0.000 0.896 257 L HN 0.511 nan 8.230 nan 0.000 0.433 258 G N 0.147 108.950 108.800 0.005 0.000 2.641 258 G HA2 -0.415 3.555 3.960 0.018 0.000 0.254 258 G HA3 -0.415 3.555 3.960 0.018 0.000 0.254 258 G C 0.478 175.380 174.900 0.004 0.000 1.315 258 G CA 0.529 45.632 45.100 0.005 0.000 0.907 258 G HN 0.301 nan 8.290 nan 0.000 0.572 259 E N -0.045 120.157 120.200 0.003 0.000 2.077 259 E HA -0.098 4.263 4.350 0.018 0.000 0.193 259 E C 2.407 179.008 176.600 0.001 0.000 0.989 259 E CA 2.254 58.656 56.400 0.003 0.000 0.800 259 E CB -0.263 29.439 29.700 0.003 0.000 0.746 259 E HN 0.598 nan 8.360 nan 0.000 0.452 260 K N -0.995 119.404 120.400 -0.001 0.000 2.063 260 K HA -0.079 4.251 4.320 0.018 0.000 0.208 260 K C 1.524 178.119 176.600 -0.009 0.000 1.048 260 K CA 1.486 57.770 56.287 -0.005 0.000 0.928 260 K CB -0.394 32.101 32.500 -0.008 0.000 0.713 260 K HN 0.230 nan 8.250 nan 0.000 0.442 261 G N 1.029 109.823 108.800 -0.010 0.000 3.448 261 G HA2 -0.031 3.940 3.960 0.018 0.000 0.261 261 G HA3 -0.031 3.940 3.960 0.018 0.000 0.261 261 G C 0.736 175.634 174.900 -0.003 0.000 1.173 261 G CA -0.298 44.794 45.100 -0.013 0.000 0.835 261 G HN 0.383 nan 8.290 nan 0.000 0.534 262 K N 0.026 120.428 120.400 0.004 0.000 2.360 262 K HA -0.084 4.247 4.320 0.018 0.000 0.201 262 K C 1.109 177.720 176.600 0.019 0.000 1.046 262 K CA 1.088 57.382 56.287 0.012 0.000 0.940 262 K CB -0.053 32.455 32.500 0.012 0.000 0.748 262 K HN 0.122 nan 8.250 nan 0.000 0.465 263 N N 0.833 119.544 118.700 0.018 0.000 2.325 263 N HA 0.148 4.899 4.740 0.018 0.000 0.182 263 N C 0.354 175.881 175.510 0.029 0.000 1.088 263 N CA 0.080 53.148 53.050 0.030 0.000 0.879 263 N CB 0.258 38.764 38.487 0.033 0.000 0.983 263 N HN 0.196 nan 8.380 nan 0.000 0.471 264 I N 2.057 122.633 120.570 0.010 0.000 2.668 264 I HA -0.060 4.120 4.170 0.018 0.000 0.285 264 I C 0.419 176.542 176.117 0.010 0.000 1.168 264 I CA 0.180 61.479 61.300 -0.001 0.000 1.424 264 I CB 0.317 38.300 38.000 -0.028 0.000 1.377 264 I HN -0.354 nan 8.210 nan 0.000 0.560 265 K N 7.472 127.883 120.400 0.018 0.000 2.258 265 K HA 0.463 4.794 4.320 0.018 0.000 0.284 265 K C -0.370 176.246 176.600 0.027 0.000 1.051 265 K CA -0.422 55.885 56.287 0.032 0.000 0.923 265 K CB 1.106 33.637 32.500 0.052 0.000 1.046 265 K HN 0.486 nan 8.250 nan 0.000 0.474 266 I N 4.947 125.533 120.570 0.026 0.000 2.301 266 I HA 0.105 4.286 4.170 0.018 0.000 0.292 266 I C 0.044 176.187 176.117 0.045 0.000 1.046 266 I CA -0.456 60.862 61.300 0.030 0.000 1.282 266 I CB 0.479 38.486 38.000 0.012 0.000 1.409 266 I HN 0.188 nan 8.210 nan 0.000 0.484 267 I N 5.828 126.465 120.570 0.111 0.000 2.297 267 I HA 0.189 4.369 4.170 0.018 0.000 0.291 267 I C 0.500 176.658 176.117 0.069 0.000 1.033 267 I CA -0.038 61.325 61.300 0.106 0.000 1.253 267 I CB 0.747 38.880 38.000 0.221 0.000 1.396 267 I HN 0.422 nan 8.210 nan 0.000 0.476 268 S N 6.447 122.147 115.700 0.001 0.000 2.545 268 S HA 0.286 4.767 4.470 0.018 0.000 0.275 268 S C 0.290 174.871 174.600 -0.033 0.000 1.299 268 S CA -0.530 57.661 58.200 -0.016 0.000 1.048 268 S CB 0.743 63.917 63.200 -0.044 0.000 0.938 268 S HN 0.367 nan 8.310 nan 0.000 0.496 269 K N 2.861 123.230 120.400 -0.052 0.000 2.253 269 K HA 0.344 4.675 4.320 0.018 0.000 0.277 269 K C -0.689 175.857 176.600 -0.090 0.000 1.053 269 K CA -0.467 55.755 56.287 -0.108 0.000 0.892 269 K CB 0.623 33.018 32.500 -0.174 0.000 1.102 269 K HN 0.407 nan 8.250 nan 0.000 0.469 270 I N 4.453 124.988 120.570 -0.058 0.000 2.322 270 I HA 0.047 4.228 4.170 0.018 0.000 0.292 270 I C 0.642 176.707 176.117 -0.086 0.000 1.060 270 I CA 0.215 61.500 61.300 -0.025 0.000 1.309 270 I CB 0.262 38.282 38.000 0.032 0.000 1.415 270 I HN 0.789 nan 8.210 nan 0.000 0.492 271 E N 4.344 124.498 120.200 -0.077 0.000 2.933 271 E HA 0.172 4.532 4.350 0.018 0.000 0.175 271 E C -0.582 176.045 176.600 0.045 0.000 0.932 271 E CA -0.546 55.801 56.400 -0.089 0.000 1.340 271 E CB 0.251 29.788 29.700 -0.272 0.000 1.025 271 E HN 0.659 nan 8.360 nan 0.000 0.461 272 N N -0.953 117.789 118.700 0.069 0.000 3.039 272 N HA 0.109 4.860 4.740 0.018 0.000 0.257 272 N C 0.235 175.785 175.510 0.067 0.000 1.497 272 N CA -0.796 52.314 53.050 0.099 0.000 0.861 272 N CB 0.370 38.961 38.487 0.173 0.000 1.479 272 N HN -0.116 nan 8.380 nan 0.000 0.547 273 H N -0.278 118.801 119.070 0.016 0.000 2.387 273 H HA 0.004 4.571 4.556 0.018 0.000 0.299 273 H C 0.903 176.238 175.328 0.011 0.000 1.090 273 H CA 1.946 57.995 56.048 0.001 0.000 1.332 273 H CB 0.343 30.101 29.762 -0.006 0.000 1.386 273 H HN 0.768 nan 8.280 nan 0.000 0.516 274 E N -0.534 119.782 120.200 0.194 0.000 2.072 274 E HA -0.102 4.259 4.350 0.018 0.000 0.191 274 E C 2.353 179.017 176.600 0.107 0.000 0.985 274 E CA 0.654 57.134 56.400 0.133 0.000 0.801 274 E CB -0.163 29.585 29.700 0.080 0.000 0.750 274 E HN 0.562 nan 8.360 nan 0.000 0.452 275 G N 0.630 109.487 108.800 0.094 0.000 2.469 275 G HA2 -0.274 3.696 3.960 0.018 0.000 0.219 275 G HA3 -0.274 3.696 3.960 0.018 0.000 0.219 275 G C 1.634 176.606 174.900 0.121 0.000 1.150 275 G CA 1.178 46.333 45.100 0.092 0.000 0.763 275 G HN 0.206 nan 8.290 nan 0.000 0.561 276 V N 0.500 120.445 119.914 0.052 0.000 2.323 276 V HA -0.099 4.032 4.120 0.018 0.000 0.244 276 V C 2.729 178.864 176.094 0.068 0.000 1.041 276 V CA 1.992 64.294 62.300 0.004 0.000 1.025 276 V CB -0.527 31.200 31.823 -0.160 0.000 0.656 276 V HN 0.393 nan 8.190 nan 0.000 0.451 277 R N 0.499 121.052 120.500 0.089 0.000 2.083 277 R HA -0.134 4.216 4.340 0.018 0.000 0.237 277 R C 2.012 178.370 176.300 0.096 0.000 1.137 277 R CA 1.639 57.804 56.100 0.108 0.000 0.951 277 R CB -0.092 30.298 30.300 0.150 0.000 0.851 277 R HN 0.398 nan 8.270 nan 0.000 0.434 278 R N -0.314 120.242 120.500 0.094 0.000 2.480 278 R HA 0.033 4.383 4.340 0.018 0.000 0.277 278 R C 1.126 177.460 176.300 0.056 0.000 1.008 278 R CA -0.307 55.828 56.100 0.059 0.000 1.090 278 R CB -0.031 30.286 30.300 0.028 0.000 1.234 278 R HN 0.206 nan 8.270 nan 0.000 0.549 279 F N 2.232 122.165 119.950 -0.028 0.000 2.065 279 F HA -0.303 4.235 4.527 0.017 0.000 0.298 279 F C 1.624 177.401 175.800 -0.039 0.000 1.112 279 F CA 1.919 59.895 58.000 -0.041 0.000 1.212 279 F CB 0.058 39.027 39.000 -0.051 0.000 0.975 279 F HN 0.041 nan 8.300 nan 0.000 0.476 280 D N 0.309 120.673 120.400 -0.061 0.000 2.133 280 D HA -0.270 4.381 4.640 0.018 0.000 0.192 280 D C 2.131 178.294 176.300 -0.227 0.000 1.001 280 D CA 2.031 55.938 54.000 -0.155 0.000 0.844 280 D CB -0.679 40.115 40.800 -0.011 0.000 0.944 280 D HN 0.710 nan 8.370 nan 0.000 0.447 281 E N 0.477 120.586 120.200 -0.152 0.000 2.150 281 E HA -0.109 4.252 4.350 0.018 0.000 0.193 281 E C 2.285 178.766 176.600 -0.197 0.000 0.985 281 E CA 0.577 56.897 56.400 -0.133 0.000 0.814 281 E CB -0.411 29.244 29.700 -0.074 0.000 0.752 281 E HN 0.280 nan 8.360 nan 0.000 0.466 282 I N 0.754 121.167 120.570 -0.262 0.000 2.113 282 I HA -0.239 3.942 4.170 0.018 0.000 0.238 282 I C 2.508 178.412 176.117 -0.356 0.000 1.070 282 I CA 0.778 61.903 61.300 -0.292 0.000 1.332 282 I CB -0.362 37.479 38.000 -0.264 0.000 1.044 282 I HN 0.156 nan 8.210 nan 0.000 0.402 283 L N 0.986 121.855 121.223 -0.590 0.000 1.978 283 L HA -0.300 4.050 4.340 0.018 0.000 0.218 283 L C 2.554 179.274 176.870 -0.250 0.000 1.075 283 L CA 2.075 56.619 54.840 -0.494 0.000 0.767 283 L CB -0.908 40.756 42.059 -0.659 0.000 0.890 283 L HN 0.276 nan 8.230 nan 0.000 0.434 284 E N -0.270 119.807 120.200 -0.205 0.000 2.097 284 E HA -0.267 4.093 4.350 0.018 0.000 0.196 284 E C 1.968 178.524 176.600 -0.073 0.000 1.000 284 E CA 1.677 58.013 56.400 -0.106 0.000 0.804 284 E CB -0.227 29.428 29.700 -0.074 0.000 0.740 284 E HN 0.650 nan 8.360 nan 0.000 0.454 285 A N 0.270 123.028 122.820 -0.103 0.000 2.066 285 A HA 0.020 4.350 4.320 0.018 0.000 0.218 285 A C 1.490 179.032 177.584 -0.070 0.000 1.157 285 A CA 0.514 52.504 52.037 -0.078 0.000 0.670 285 A CB 0.059 18.916 19.000 -0.239 0.000 0.804 285 A HN 0.153 nan 8.150 nan 0.000 0.453 286 S N -0.076 115.564 115.700 -0.100 0.000 2.713 286 S HA 0.294 4.775 4.470 0.018 0.000 0.283 286 S C 0.071 174.644 174.600 -0.045 0.000 1.161 286 S CA -0.528 57.628 58.200 -0.073 0.000 0.999 286 S CB 0.991 64.132 63.200 -0.099 0.000 1.039 286 S HN 0.404 nan 8.310 nan 0.000 0.548 287 D N 0.361 120.747 120.400 -0.023 0.000 2.354 287 D HA 0.264 4.915 4.640 0.018 0.000 0.209 287 D C 0.794 177.067 176.300 -0.046 0.000 1.015 287 D CA 0.472 54.465 54.000 -0.012 0.000 0.867 287 D CB 0.501 41.310 40.800 0.014 0.000 0.933 287 D HN 0.644 nan 8.370 nan 0.000 0.520 288 G N 0.009 108.777 108.800 -0.055 0.000 2.342 288 G HA2 0.398 4.369 3.960 0.018 0.000 0.297 288 G HA3 0.398 4.369 3.960 0.018 0.000 0.297 288 G C -1.935 172.933 174.900 -0.052 0.000 1.313 288 G CA -0.639 44.416 45.100 -0.075 0.000 0.830 288 G HN -0.076 nan 8.290 nan 0.000 0.506 289 I N 0.458 121.001 120.570 -0.047 0.000 2.769 289 I HA 0.576 4.756 4.170 0.018 0.000 0.298 289 I C -0.330 175.736 176.117 -0.085 0.000 1.128 289 I CA -0.782 60.509 61.300 -0.015 0.000 1.031 289 I CB 2.003 40.081 38.000 0.130 0.000 1.235 289 I HN 0.683 nan 8.210 nan 0.000 0.423 290 M N 5.103 124.629 119.600 -0.122 0.000 2.311 290 M HA 0.472 4.963 4.480 0.018 0.000 0.325 290 M C -1.388 174.828 176.300 -0.140 0.000 1.061 290 M CA -0.739 54.440 55.300 -0.202 0.000 0.957 290 M CB 1.814 34.197 32.600 -0.362 0.000 1.646 290 M HN 0.267 nan 8.290 nan 0.000 0.434 291 V N 5.073 124.904 119.914 -0.138 0.000 2.313 291 V HA 0.268 4.398 4.120 0.018 0.000 0.252 291 V C 0.589 176.605 176.094 -0.129 0.000 1.112 291 V CA -0.391 61.835 62.300 -0.124 0.000 0.984 291 V CB 0.011 31.763 31.823 -0.117 0.000 1.157 291 V HN 0.869 nan 8.190 nan 0.000 0.493 292 A N 5.739 128.476 122.820 -0.139 0.000 3.004 292 A HA 0.302 4.633 4.320 0.018 0.000 0.286 292 A C 1.462 178.980 177.584 -0.111 0.000 1.632 292 A CA -0.381 51.570 52.037 -0.144 0.000 1.339 292 A CB -0.407 18.473 19.000 -0.200 0.000 1.136 292 A HN 0.836 nan 8.150 nan 0.000 0.577 293 R N 1.180 121.630 120.500 -0.084 0.000 2.241 293 R HA -0.102 4.249 4.340 0.018 0.000 0.224 293 R C 2.065 178.340 176.300 -0.043 0.000 1.101 293 R CA 1.036 57.100 56.100 -0.060 0.000 0.995 293 R CB -0.023 30.251 30.300 -0.043 0.000 0.870 293 R HN 0.663 nan 8.270 nan 0.000 0.463 294 G N 1.628 110.404 108.800 -0.040 0.000 2.505 294 G HA2 -0.246 3.725 3.960 0.018 0.000 0.214 294 G HA3 -0.246 3.725 3.960 0.018 0.000 0.214 294 G C 0.981 175.878 174.900 -0.006 0.000 1.237 294 G CA 0.766 45.858 45.100 -0.014 0.000 0.802 294 G HN 0.173 nan 8.290 nan 0.000 0.549 295 D N 0.074 120.469 120.400 -0.008 0.000 2.144 295 D HA -0.086 4.565 4.640 0.018 0.000 0.199 295 D C 2.473 178.782 176.300 0.014 0.000 0.984 295 D CA 0.599 54.625 54.000 0.043 0.000 0.834 295 D CB -0.065 40.795 40.800 0.101 0.000 0.955 295 D HN 0.140 nan 8.370 nan 0.000 0.465 296 L N 1.285 122.488 121.223 -0.032 0.000 1.989 296 L HA -0.073 4.278 4.340 0.018 0.000 0.211 296 L C 2.264 179.102 176.870 -0.053 0.000 1.071 296 L CA 2.075 56.887 54.840 -0.048 0.000 0.749 296 L CB -1.115 40.898 42.059 -0.078 0.000 0.890 296 L HN 0.017 nan 8.230 nan 0.000 0.431 297 G N -1.448 107.322 108.800 -0.049 0.000 2.708 297 G HA2 -0.109 3.861 3.960 0.018 0.000 0.210 297 G HA3 -0.109 3.861 3.960 0.018 0.000 0.210 297 G C 1.438 176.296 174.900 -0.071 0.000 1.141 297 G CA 0.849 45.919 45.100 -0.049 0.000 0.788 297 G HN 0.503 nan 8.290 nan 0.000 0.531 298 I N -0.692 119.828 120.570 -0.083 0.000 3.039 298 I HA 0.093 4.273 4.170 0.018 0.000 0.270 298 I C 2.266 178.271 176.117 -0.186 0.000 1.150 298 I CA 0.157 61.355 61.300 -0.170 0.000 1.448 298 I CB 0.108 38.030 38.000 -0.131 0.000 1.197 298 I HN -0.044 nan 8.210 nan 0.000 0.450 299 E N 1.709 121.862 120.200 -0.079 0.000 2.153 299 E HA -0.049 4.312 4.350 0.018 0.000 0.194 299 E C 0.664 177.251 176.600 -0.020 0.000 0.988 299 E CA 0.963 57.344 56.400 -0.031 0.000 0.811 299 E CB -0.024 29.697 29.700 0.035 0.000 0.746 299 E HN 0.547 nan 8.360 nan 0.000 0.466 300 I N -2.845 117.696 120.570 -0.049 0.000 2.785 300 I HA 0.445 4.625 4.170 0.018 0.000 0.302 300 I C -2.768 173.314 176.117 -0.058 0.000 1.069 300 I CA -3.143 58.134 61.300 -0.038 0.000 1.045 300 I CB 2.189 40.127 38.000 -0.103 0.000 1.236 300 I HN -0.373 nan 8.210 nan 0.000 0.429 301 P HA -0.007 nan 4.420 nan 0.000 0.263 301 P C 0.429 177.713 177.300 -0.027 0.000 1.175 301 P CA 0.253 63.336 63.100 -0.027 0.000 0.761 301 P CB 0.882 32.580 31.700 -0.003 0.000 0.794 302 A N 4.652 127.462 122.820 -0.016 0.000 2.019 302 A HA -0.176 4.155 4.320 0.018 0.000 0.219 302 A C 1.743 179.350 177.584 0.039 0.000 1.164 302 A CA 1.254 53.291 52.037 -0.001 0.000 0.644 302 A CB -0.832 18.169 19.000 0.002 0.000 0.805 302 A HN 0.658 nan 8.150 nan 0.000 0.449 303 E N 0.648 120.879 120.200 0.053 0.000 2.472 303 E HA -0.157 4.203 4.350 0.018 0.000 0.200 303 E C 1.043 177.743 176.600 0.167 0.000 1.046 303 E CA 1.144 57.613 56.400 0.116 0.000 0.871 303 E CB -0.232 29.525 29.700 0.094 0.000 0.806 303 E HN 0.661 nan 8.360 nan 0.000 0.533 304 K N 0.412 120.828 120.400 0.028 0.000 2.354 304 K HA 0.133 4.464 4.320 0.018 0.000 0.194 304 K C 2.004 178.477 176.600 -0.212 0.000 1.038 304 K CA 0.282 56.489 56.287 -0.134 0.000 1.052 304 K CB 0.537 32.949 32.500 -0.146 0.000 0.861 304 K HN -0.098 nan 8.250 nan 0.000 0.535 305 V N 2.249 122.125 119.914 -0.063 0.000 2.250 305 V HA -0.335 3.796 4.120 0.018 0.000 0.250 305 V C 2.171 178.206 176.094 -0.098 0.000 1.060 305 V CA 2.377 64.635 62.300 -0.070 0.000 1.030 305 V CB -0.753 31.066 31.823 -0.006 0.000 0.643 305 V HN 0.391 nan 8.190 nan 0.000 0.445 306 F N 0.029 119.935 119.950 -0.074 0.000 2.250 306 F HA -0.144 4.392 4.527 0.015 0.000 0.301 306 F C 1.903 177.652 175.800 -0.085 0.000 1.077 306 F CA 1.485 59.442 58.000 -0.072 0.000 1.348 306 F CB -1.065 37.902 39.000 -0.054 0.000 1.040 306 F HN 0.101 nan 8.300 nan 0.000 0.509 307 L N 1.047 121.665 121.223 -1.008 0.000 1.976 307 L HA -0.126 4.225 4.340 0.018 0.000 0.209 307 L C 3.072 179.713 176.870 -0.382 0.000 1.071 307 L CA 1.369 55.775 54.840 -0.724 0.000 0.746 307 L CB -1.376 40.255 42.059 -0.713 0.000 0.890 307 L HN 0.301 nan 8.230 nan 0.000 0.432 308 A N -0.641 121.974 122.820 -0.341 0.000 1.948 308 A HA -0.308 4.023 4.320 0.018 0.000 0.220 308 A C 2.280 179.707 177.584 -0.261 0.000 1.177 308 A CA 2.095 53.956 52.037 -0.292 0.000 0.636 308 A CB -0.676 18.164 19.000 -0.265 0.000 0.815 308 A HN 0.548 nan 8.150 nan 0.000 0.449 309 Q N -0.355 119.331 119.800 -0.189 0.000 2.050 309 Q HA -0.204 4.146 4.340 0.018 0.000 0.202 309 Q C 1.974 177.897 176.000 -0.129 0.000 0.980 309 Q CA 1.946 57.669 55.803 -0.134 0.000 0.840 309 Q CB -0.124 28.583 28.738 -0.052 0.000 0.898 309 Q HN 0.687 nan 8.270 nan 0.000 0.424 310 K N -0.166 120.174 120.400 -0.100 0.000 2.155 310 K HA -0.087 4.243 4.320 0.018 0.000 0.203 310 K C 2.135 178.661 176.600 -0.123 0.000 1.052 310 K CA 1.023 57.266 56.287 -0.072 0.000 0.948 310 K CB -0.122 32.374 32.500 -0.008 0.000 0.728 310 K HN 0.291 nan 8.250 nan 0.000 0.448 311 M N 1.154 120.643 119.600 -0.186 0.000 2.099 311 M HA -0.139 4.351 4.480 0.018 0.000 0.262 311 M C 1.930 178.049 176.300 -0.303 0.000 1.067 311 M CA 1.743 56.909 55.300 -0.223 0.000 1.124 311 M CB -0.272 32.171 32.600 -0.261 0.000 1.353 311 M HN 0.105 nan 8.290 nan 0.000 0.410 312 I N 0.330 120.647 120.570 -0.420 0.000 2.179 312 I HA -0.344 3.837 4.170 0.018 0.000 0.242 312 I C 2.370 178.349 176.117 -0.230 0.000 1.088 312 I CA 1.244 62.204 61.300 -0.566 0.000 1.357 312 I CB -0.387 37.268 38.000 -0.575 0.000 1.051 312 I HN 0.266 nan 8.210 nan 0.000 0.409 313 I N 0.570 121.047 120.570 -0.154 0.000 2.286 313 I HA -0.232 3.949 4.170 0.018 0.000 0.248 313 I C 2.650 178.734 176.117 -0.055 0.000 1.115 313 I CA 1.583 62.835 61.300 -0.079 0.000 1.392 313 I CB -0.975 36.987 38.000 -0.062 0.000 1.065 313 I HN 0.301 nan 8.210 nan 0.000 0.418 314 G N 0.776 109.534 108.800 -0.069 0.000 2.418 314 G HA2 -0.214 3.757 3.960 0.018 0.000 0.217 314 G HA3 -0.214 3.757 3.960 0.018 0.000 0.217 314 G C 1.851 176.736 174.900 -0.024 0.000 1.158 314 G CA 0.429 45.501 45.100 -0.046 0.000 0.771 314 G HN 0.309 nan 8.290 nan 0.000 0.545 315 R N -0.692 119.803 120.500 -0.009 0.000 2.093 315 R HA 0.031 4.381 4.340 0.018 0.000 0.224 315 R C 2.648 179.006 176.300 0.096 0.000 1.101 315 R CA 0.956 57.099 56.100 0.071 0.000 0.979 315 R CB -0.538 29.875 30.300 0.188 0.000 0.877 315 R HN 0.375 nan 8.270 nan 0.000 0.441 316 C N 0.888 120.247 119.300 0.098 0.000 2.440 316 C HA -0.039 4.432 4.460 0.018 0.000 0.278 316 C C 2.183 177.173 174.990 -0.000 0.000 1.295 316 C CA 0.660 59.715 59.018 0.062 0.000 1.738 316 C CB -1.242 26.532 27.740 0.056 0.000 1.987 316 C HN 0.563 nan 8.230 nan 0.000 0.492 317 N N 0.365 119.055 118.700 -0.015 0.000 2.069 317 N HA -0.200 4.551 4.740 0.018 0.000 0.191 317 N C 2.028 177.497 175.510 -0.068 0.000 1.031 317 N CA 1.052 54.078 53.050 -0.040 0.000 0.852 317 N CB -0.265 38.201 38.487 -0.035 0.000 1.018 317 N HN 0.494 nan 8.380 nan 0.000 0.423 318 R N 0.829 121.301 120.500 -0.046 0.000 2.105 318 R HA -0.067 4.284 4.340 0.018 0.000 0.239 318 R C 1.831 178.101 176.300 -0.051 0.000 1.135 318 R CA 1.415 57.483 56.100 -0.053 0.000 0.967 318 R CB -0.066 30.221 30.300 -0.021 0.000 0.861 318 R HN 0.187 nan 8.270 nan 0.000 0.442 319 A N -0.616 122.188 122.820 -0.026 0.000 2.218 319 A HA 0.210 4.541 4.320 0.018 0.000 0.209 319 A C 1.230 178.801 177.584 -0.021 0.000 1.168 319 A CA 0.656 52.682 52.037 -0.019 0.000 0.804 319 A CB -0.067 18.929 19.000 -0.008 0.000 0.834 319 A HN 0.513 nan 8.150 nan 0.000 0.482 320 G N -0.439 108.337 108.800 -0.040 0.000 2.246 320 G HA2 -0.263 3.708 3.960 0.018 0.000 0.273 320 G HA3 -0.263 3.708 3.960 0.018 0.000 0.273 320 G C 0.017 174.949 174.900 0.053 0.000 1.055 320 G CA 0.777 45.869 45.100 -0.014 0.000 0.851 320 G HN 0.595 nan 8.290 nan 0.000 0.500 321 K N 0.173 120.571 120.400 -0.002 0.000 2.207 321 K HA 0.545 4.876 4.320 0.018 0.000 0.255 321 K C -2.489 174.020 176.600 -0.152 0.000 0.941 321 K CA -2.376 53.879 56.287 -0.052 0.000 0.825 321 K CB 2.072 34.547 32.500 -0.042 0.000 1.119 321 K HN -0.051 nan 8.250 nan 0.000 0.430 322 P HA 0.008 nan 4.420 nan 0.000 0.268 322 P C -1.281 175.905 177.300 -0.190 0.000 1.204 322 P CA -0.348 62.523 63.100 -0.383 0.000 0.768 322 P CB 0.819 32.170 31.700 -0.581 0.000 0.842 323 V N 5.040 124.868 119.914 -0.143 0.000 2.709 323 V HA 0.517 4.648 4.120 0.018 0.000 0.308 323 V C -0.956 175.072 176.094 -0.110 0.000 1.062 323 V CA -0.937 61.302 62.300 -0.101 0.000 0.901 323 V CB 1.534 33.323 31.823 -0.057 0.000 1.003 323 V HN 0.285 nan 8.190 nan 0.000 0.425 324 I N 5.919 126.408 120.570 -0.136 0.000 2.378 324 I HA 0.425 4.606 4.170 0.018 0.000 0.291 324 I C -0.097 175.941 176.117 -0.132 0.000 0.992 324 I CA -0.419 60.791 61.300 -0.150 0.000 1.154 324 I CB 1.517 39.367 38.000 -0.249 0.000 1.315 324 I HN 0.580 nan 8.210 nan 0.000 0.448 325 C N 6.519 125.762 119.300 -0.096 0.000 2.325 325 C HA 0.815 5.285 4.460 0.018 0.000 0.347 325 C C 0.587 175.529 174.990 -0.082 0.000 1.263 325 C CA -0.032 58.938 59.018 -0.080 0.000 1.806 325 C CB -0.735 26.974 27.740 -0.051 0.000 2.405 325 C HN 0.901 nan 8.230 nan 0.000 0.537 326 A N 4.463 127.230 122.820 -0.088 0.000 2.479 326 A HA 0.922 5.252 4.320 0.018 0.000 0.296 326 A C -0.081 177.473 177.584 -0.051 0.000 1.121 326 A CA -0.162 51.827 52.037 -0.079 0.000 0.743 326 A CB 0.939 19.865 19.000 -0.124 0.000 1.323 326 A HN 1.401 nan 8.150 nan 0.000 0.415 327 T N 1.368 115.905 114.554 -0.029 0.000 0.787 327 T HA -0.087 4.274 4.350 0.018 0.000 0.750 327 T C 0.046 174.745 174.700 -0.002 0.000 0.987 327 T CA 0.802 62.895 62.100 -0.012 0.000 3.957 327 T CB -1.627 67.228 68.868 -0.021 0.000 2.240 327 T HN 1.500 nan 8.240 nan 0.000 0.395 328 Q N -0.277 119.529 119.800 0.010 0.000 2.465 328 Q HA -0.242 4.109 4.340 0.018 0.000 0.248 328 Q C 1.627 177.634 176.000 0.011 0.000 0.819 328 Q CA 1.439 57.251 55.803 0.015 0.000 1.219 328 Q CB -1.281 27.466 28.738 0.015 0.000 1.472 328 Q HN 0.875 nan 8.270 nan 0.000 0.630 329 M N -0.332 119.273 119.600 0.008 0.000 2.144 329 M HA -0.142 4.349 4.480 0.018 0.000 0.260 329 M C 1.259 177.565 176.300 0.010 0.000 1.067 329 M CA 1.635 56.939 55.300 0.006 0.000 1.095 329 M CB -0.045 32.558 32.600 0.005 0.000 1.365 329 M HN 0.264 nan 8.290 nan 0.000 0.406 330 L N -0.623 120.611 121.223 0.017 0.000 3.186 330 L HA 0.167 4.518 4.340 0.018 0.000 0.317 330 L C 1.164 178.051 176.870 0.027 0.000 1.296 330 L CA -0.369 54.484 54.840 0.020 0.000 0.870 330 L CB 0.366 42.440 42.059 0.025 0.000 1.302 330 L HN 0.031 nan 8.230 nan 0.000 0.590 331 E N 1.398 121.613 120.200 0.025 0.000 2.097 331 E HA -0.252 4.109 4.350 0.018 0.000 0.196 331 E C 2.155 178.778 176.600 0.037 0.000 1.000 331 E CA 2.242 58.661 56.400 0.032 0.000 0.804 331 E CB 0.174 29.891 29.700 0.028 0.000 0.740 331 E HN 0.507 nan 8.360 nan 0.000 0.454 332 S N -0.335 115.383 115.700 0.030 0.000 2.419 332 S HA -0.183 4.298 4.470 0.018 0.000 0.235 332 S C 1.929 176.557 174.600 0.046 0.000 1.019 332 S CA 1.338 59.557 58.200 0.031 0.000 0.982 332 S CB -0.425 62.785 63.200 0.016 0.000 0.789 332 S HN 0.340 nan 8.310 nan 0.000 0.490 333 M N 0.600 120.229 119.600 0.048 0.000 2.700 333 M HA 0.135 4.626 4.480 0.018 0.000 0.249 333 M C 1.553 177.947 176.300 0.158 0.000 1.082 333 M CA 0.650 55.994 55.300 0.074 0.000 1.077 333 M CB -0.634 31.997 32.600 0.052 0.000 1.477 333 M HN 0.374 nan 8.290 nan 0.000 0.529 334 I N 0.211 120.852 120.570 0.117 0.000 2.226 334 I HA -0.285 3.895 4.170 0.018 0.000 0.245 334 I C 2.145 178.349 176.117 0.144 0.000 1.100 334 I CA 1.194 62.560 61.300 0.111 0.000 1.374 334 I CB -0.189 37.851 38.000 0.066 0.000 1.057 334 I HN 0.212 nan 8.210 nan 0.000 0.413 335 K N 0.289 120.781 120.400 0.153 0.000 2.391 335 K HA 0.274 4.604 4.320 0.018 0.000 0.197 335 K C 0.122 176.882 176.600 0.267 0.000 1.087 335 K CA 0.371 56.763 56.287 0.174 0.000 1.012 335 K CB 0.532 33.088 32.500 0.094 0.000 0.925 335 K HN 0.212 nan 8.250 nan 0.000 0.547 336 K N 0.903 121.405 120.400 0.170 0.000 2.318 336 K HA 0.248 4.579 4.320 0.018 0.000 0.249 336 K C -2.095 174.273 176.600 -0.386 0.000 0.942 336 K CA -1.947 54.316 56.287 -0.039 0.000 0.808 336 K CB 2.366 34.842 32.500 -0.039 0.000 1.189 336 K HN -0.293 nan 8.250 nan 0.000 0.428 337 P HA -0.064 nan 4.420 nan 0.000 0.227 337 P C -0.536 176.543 177.300 -0.369 0.000 1.161 337 P CA 0.823 63.351 63.100 -0.954 0.000 0.788 337 P CB 0.510 31.684 31.700 -0.876 0.000 0.822 338 R N 0.627 120.990 120.500 -0.229 0.000 2.732 338 R HA 0.530 4.881 4.340 0.018 0.000 0.278 338 R C -2.414 173.839 176.300 -0.077 0.000 0.976 338 R CA -2.291 53.738 56.100 -0.119 0.000 0.963 338 R CB 0.699 30.947 30.300 -0.088 0.000 1.150 338 R HN 0.027 nan 8.270 nan 0.000 0.478 339 P HA 0.096 nan 4.420 nan 0.000 0.293 339 P C -0.361 176.927 177.300 -0.021 0.000 1.304 339 P CA -0.391 62.694 63.100 -0.024 0.000 0.767 339 P CB 0.474 32.167 31.700 -0.011 0.000 1.247 340 T N -2.139 112.408 114.554 -0.012 0.000 2.874 340 T HA 0.263 4.623 4.350 0.018 0.000 0.281 340 T C 1.400 176.093 174.700 -0.012 0.000 0.994 340 T CA -0.751 61.342 62.100 -0.012 0.000 1.015 340 T CB 0.519 69.383 68.868 -0.007 0.000 1.028 340 T HN 0.153 nan 8.240 nan 0.000 0.523 341 R N 1.047 121.540 120.500 -0.013 0.000 2.159 341 R HA -0.017 4.333 4.340 0.018 0.000 0.237 341 R C 2.448 178.740 176.300 -0.014 0.000 1.131 341 R CA 1.403 57.495 56.100 -0.014 0.000 0.982 341 R CB -1.745 28.547 30.300 -0.014 0.000 0.868 341 R HN 0.849 nan 8.270 nan 0.000 0.453 342 A N 1.131 123.943 122.820 -0.014 0.000 1.929 342 A HA -0.109 4.222 4.320 0.018 0.000 0.216 342 A C 2.023 179.599 177.584 -0.012 0.000 1.176 342 A CA 1.011 53.038 52.037 -0.016 0.000 0.628 342 A CB -0.203 18.789 19.000 -0.015 0.000 0.816 342 A HN 0.310 nan 8.150 nan 0.000 0.444 343 E N -0.440 119.755 120.200 -0.008 0.000 2.106 343 E HA -0.073 4.288 4.350 0.018 0.000 0.192 343 E C 2.108 178.705 176.600 -0.004 0.000 0.984 343 E CA 0.756 57.154 56.400 -0.003 0.000 0.806 343 E CB -0.338 29.363 29.700 0.000 0.000 0.750 343 E HN 0.592 nan 8.360 nan 0.000 0.458 344 G N 0.464 109.260 108.800 -0.006 0.000 2.440 344 G HA2 -0.327 3.644 3.960 0.018 0.000 0.218 344 G HA3 -0.327 3.644 3.960 0.018 0.000 0.218 344 G C 1.666 176.561 174.900 -0.007 0.000 1.154 344 G CA 0.994 46.090 45.100 -0.006 0.000 0.767 344 G HN 0.257 nan 8.290 nan 0.000 0.552 345 S N 0.277 115.970 115.700 -0.011 0.000 2.348 345 S HA -0.177 4.303 4.470 0.018 0.000 0.221 345 S C 2.110 176.703 174.600 -0.012 0.000 1.033 345 S CA 2.010 60.202 58.200 -0.014 0.000 1.010 345 S CB -0.483 62.704 63.200 -0.022 0.000 0.891 345 S HN 0.457 nan 8.310 nan 0.000 0.442 346 D N 0.219 120.612 120.400 -0.012 0.000 2.104 346 D HA -0.104 4.547 4.640 0.018 0.000 0.194 346 D C 1.902 178.200 176.300 -0.004 0.000 0.994 346 D CA 1.583 55.577 54.000 -0.009 0.000 0.830 346 D CB -0.342 40.453 40.800 -0.008 0.000 0.959 346 D HN 0.284 nan 8.370 nan 0.000 0.452 347 V N 0.810 120.723 119.914 -0.002 0.000 2.287 347 V HA -0.264 3.867 4.120 0.018 0.000 0.248 347 V C 2.602 178.697 176.094 0.002 0.000 1.053 347 V CA 1.947 64.248 62.300 0.001 0.000 1.027 347 V CB -1.111 30.715 31.823 0.004 0.000 0.646 347 V HN 0.370 nan 8.190 nan 0.000 0.447 348 A N 0.300 123.121 122.820 0.001 0.000 1.865 348 A HA -0.255 4.076 4.320 0.018 0.000 0.217 348 A C 2.107 179.697 177.584 0.010 0.000 1.191 348 A CA 2.148 54.188 52.037 0.004 0.000 0.623 348 A CB -0.742 18.259 19.000 0.002 0.000 0.826 348 A HN 0.588 nan 8.150 nan 0.000 0.444 349 N N 0.173 118.878 118.700 0.007 0.000 2.244 349 N HA -0.091 4.660 4.740 0.018 0.000 0.183 349 N C 1.883 177.402 175.510 0.015 0.000 1.016 349 N CA 1.299 54.357 53.050 0.013 0.000 0.866 349 N CB -0.426 38.062 38.487 0.003 0.000 0.980 349 N HN 0.487 nan 8.380 nan 0.000 0.430 350 A N 0.700 123.525 122.820 0.007 0.000 1.902 350 A HA -0.088 4.243 4.320 0.018 0.000 0.217 350 A C 2.506 180.092 177.584 0.004 0.000 1.181 350 A CA 1.272 53.309 52.037 0.001 0.000 0.623 350 A CB -0.629 18.368 19.000 -0.006 0.000 0.818 350 A HN 0.107 nan 8.150 nan 0.000 0.443 351 V N 0.030 119.949 119.914 0.008 0.000 2.323 351 V HA -0.193 3.937 4.120 0.018 0.000 0.244 351 V C 2.506 178.610 176.094 0.018 0.000 1.041 351 V CA 1.707 64.014 62.300 0.012 0.000 1.025 351 V CB -0.737 31.094 31.823 0.014 0.000 0.656 351 V HN 0.562 nan 8.190 nan 0.000 0.451 352 L N -0.139 121.099 121.223 0.026 0.000 2.131 352 L HA -0.185 4.165 4.340 0.018 0.000 0.210 352 L C 2.317 179.213 176.870 0.044 0.000 1.092 352 L CA 1.301 56.166 54.840 0.041 0.000 0.759 352 L CB -0.757 41.339 42.059 0.061 0.000 0.903 352 L HN 0.347 nan 8.230 nan 0.000 0.435 353 D N 0.294 120.712 120.400 0.031 0.000 2.097 353 D HA -0.107 4.543 4.640 0.018 0.000 0.195 353 D C 1.647 177.954 176.300 0.012 0.000 0.989 353 D CA 1.788 55.802 54.000 0.023 0.000 0.827 353 D CB -0.001 40.805 40.800 0.010 0.000 0.966 353 D HN 0.422 nan 8.370 nan 0.000 0.456 354 G N -0.994 107.809 108.800 0.005 0.000 2.240 354 G HA2 0.041 4.011 3.960 0.018 0.000 0.181 354 G HA3 0.041 4.011 3.960 0.018 0.000 0.181 354 G C 0.123 175.018 174.900 -0.007 0.000 1.028 354 G CA 0.083 45.183 45.100 0.001 0.000 0.760 354 G HN 0.496 nan 8.290 nan 0.000 0.508 355 A N 0.590 123.404 122.820 -0.011 0.000 2.491 355 A HA 0.502 4.832 4.320 0.018 0.000 0.261 355 A C 1.291 178.867 177.584 -0.014 0.000 1.101 355 A CA 0.769 52.792 52.037 -0.023 0.000 0.772 355 A CB 0.225 19.209 19.000 -0.027 0.000 1.043 355 A HN 0.261 nan 8.150 nan 0.000 0.501 356 D N 1.169 121.552 120.400 -0.029 0.000 2.104 356 D HA -0.095 4.556 4.640 0.018 0.000 0.194 356 D C 0.215 176.512 176.300 -0.006 0.000 0.994 356 D CA 1.446 55.435 54.000 -0.018 0.000 0.830 356 D CB 0.111 40.863 40.800 -0.079 0.000 0.959 356 D HN 0.556 nan 8.370 nan 0.000 0.452 357 C N 0.352 119.634 119.300 -0.030 0.000 2.634 357 C HA 0.613 5.084 4.460 0.018 0.000 0.313 357 C C 0.165 175.136 174.990 -0.030 0.000 1.198 357 C CA -1.020 57.986 59.018 -0.019 0.000 1.605 357 C CB 1.621 29.346 27.740 -0.025 0.000 2.196 357 C HN 0.175 nan 8.230 nan 0.000 0.486 358 I N 0.450 121.012 120.570 -0.014 0.000 2.910 358 I HA 0.842 5.023 4.170 0.018 0.000 0.310 358 I C -0.768 175.342 176.117 -0.012 0.000 1.043 358 I CA -0.896 60.394 61.300 -0.017 0.000 1.053 358 I CB 1.796 39.794 38.000 -0.003 0.000 1.242 358 I HN 0.692 nan 8.210 nan 0.000 0.452 359 M N 3.839 123.431 119.600 -0.013 0.000 2.371 359 M HA 0.570 5.061 4.480 0.018 0.000 0.287 359 M C -2.285 174.023 176.300 0.013 0.000 1.149 359 M CA -0.520 54.779 55.300 -0.002 0.000 0.929 359 M CB 2.529 35.108 32.600 -0.035 0.000 1.683 359 M HN 0.640 nan 8.290 nan 0.000 0.470 360 L N 2.866 124.109 121.223 0.033 0.000 2.322 360 L HA 0.582 4.933 4.340 0.018 0.000 0.281 360 L C -0.006 176.898 176.870 0.055 0.000 1.014 360 L CA -0.278 54.586 54.840 0.041 0.000 0.815 360 L CB 2.032 44.119 42.059 0.046 0.000 1.247 360 L HN 0.810 nan 8.230 nan 0.000 0.421 361 S N 1.282 117.014 115.700 0.054 0.000 2.910 361 S HA 0.129 4.609 4.470 0.018 0.000 0.167 361 S C 1.635 176.276 174.600 0.067 0.000 0.681 361 S CA 0.426 58.667 58.200 0.068 0.000 0.828 361 S CB -0.261 62.976 63.200 0.063 0.000 0.739 361 S HN 0.864 nan 8.310 nan 0.000 0.611 362 G N 1.120 109.955 108.800 0.059 0.000 2.509 362 G HA2 -0.123 3.848 3.960 0.018 0.000 0.218 362 G HA3 -0.123 3.848 3.960 0.018 0.000 0.218 362 G C 0.979 175.910 174.900 0.051 0.000 1.124 362 G CA 0.726 45.857 45.100 0.052 0.000 0.776 362 G HN 0.491 nan 8.290 nan 0.000 0.547 363 E N 0.059 120.291 120.200 0.055 0.000 2.150 363 E HA -0.057 4.304 4.350 0.018 0.000 0.193 363 E C 2.703 179.340 176.600 0.062 0.000 0.985 363 E CA 1.636 58.073 56.400 0.061 0.000 0.814 363 E CB -0.064 29.671 29.700 0.059 0.000 0.752 363 E HN 0.578 nan 8.360 nan 0.000 0.466 364 T N -3.046 111.543 114.554 0.058 0.000 3.000 364 T HA 0.375 4.736 4.350 0.018 0.000 0.248 364 T C 1.942 176.674 174.700 0.054 0.000 1.034 364 T CA 0.229 62.362 62.100 0.055 0.000 1.060 364 T CB 0.177 69.079 68.868 0.056 0.000 0.983 364 T HN 0.107 nan 8.240 nan 0.000 0.482 365 A N 3.346 126.202 122.820 0.060 0.000 1.854 365 A HA 0.084 4.415 4.320 0.018 0.000 0.214 365 A C 2.205 179.815 177.584 0.045 0.000 1.192 365 A CA 1.593 53.669 52.037 0.065 0.000 0.611 365 A CB -0.342 18.705 19.000 0.078 0.000 0.832 365 A HN 0.715 nan 8.150 nan 0.000 0.442 366 K N -1.412 119.006 120.400 0.031 0.000 2.438 366 K HA 0.323 4.654 4.320 0.018 0.000 0.206 366 K C 0.806 177.407 176.600 0.002 0.000 1.081 366 K CA 0.313 56.606 56.287 0.011 0.000 1.053 366 K CB 0.123 32.622 32.500 -0.001 0.000 0.908 366 K HN 0.274 nan 8.250 nan 0.000 0.556 367 G N 0.941 109.748 108.800 0.013 0.000 2.634 367 G HA2 0.037 4.007 3.960 0.018 0.000 0.255 367 G HA3 0.037 4.007 3.960 0.018 0.000 0.255 367 G C -0.299 174.575 174.900 -0.044 0.000 1.205 367 G CA -0.361 44.745 45.100 0.010 0.000 0.884 367 G HN 0.060 nan 8.290 nan 0.000 0.549 368 D N -1.057 119.285 120.400 -0.097 0.000 2.323 368 D HA 0.012 4.663 4.640 0.018 0.000 0.209 368 D C 0.023 175.983 176.300 -0.567 0.000 0.973 368 D CA 1.102 54.887 54.000 -0.359 0.000 0.874 368 D CB 0.196 40.692 40.800 -0.507 0.000 0.930 368 D HN 0.378 nan 8.370 nan 0.000 0.521 369 Y N -0.854 119.455 120.300 0.014 0.000 2.473 369 Y HA 0.260 4.821 4.550 0.018 0.000 0.345 369 Y C -1.796 174.115 175.900 0.017 0.000 0.932 369 Y CA -1.822 56.286 58.100 0.015 0.000 1.124 369 Y CB 1.344 39.812 38.460 0.014 0.000 1.162 369 Y HN -0.063 nan 8.280 nan 0.000 0.629 370 P HA -0.135 nan 4.420 nan 0.000 0.216 370 P C 1.617 178.962 177.300 0.074 0.000 1.153 370 P CA 1.378 64.522 63.100 0.073 0.000 0.844 370 P CB 0.513 32.237 31.700 0.040 0.000 0.787 371 L N 0.180 121.448 121.223 0.074 0.000 2.046 371 L HA -0.164 4.186 4.340 0.018 0.000 0.208 371 L C 2.427 179.338 176.870 0.068 0.000 1.077 371 L CA 1.581 56.458 54.840 0.062 0.000 0.747 371 L CB -1.074 41.019 42.059 0.057 0.000 0.896 371 L HN 0.091 nan 8.230 nan 0.000 0.432 372 E N 0.605 120.864 120.200 0.099 0.000 2.358 372 E HA -0.100 4.261 4.350 0.018 0.000 0.195 372 E C 2.010 178.648 176.600 0.062 0.000 1.010 372 E CA 1.048 57.493 56.400 0.075 0.000 0.856 372 E CB -0.191 29.549 29.700 0.067 0.000 0.795 372 E HN 0.430 nan 8.360 nan 0.000 0.504 373 A N 1.860 124.727 122.820 0.077 0.000 1.872 373 A HA -0.044 4.287 4.320 0.018 0.000 0.214 373 A C 2.570 180.187 177.584 0.056 0.000 1.187 373 A CA 1.317 53.392 52.037 0.064 0.000 0.614 373 A CB -0.748 18.296 19.000 0.073 0.000 0.826 373 A HN 0.124 nan 8.150 nan 0.000 0.442 374 V N 0.228 120.175 119.914 0.054 0.000 2.392 374 V HA -0.294 3.837 4.120 0.018 0.000 0.249 374 V C 2.622 178.755 176.094 0.064 0.000 1.059 374 V CA 2.327 64.656 62.300 0.049 0.000 1.051 374 V CB -0.929 30.912 31.823 0.030 0.000 0.658 374 V HN 0.507 nan 8.190 nan 0.000 0.455 375 R N -0.949 119.584 120.500 0.055 0.000 2.075 375 R HA -0.112 4.239 4.340 0.018 0.000 0.232 375 R C 2.281 178.646 176.300 0.108 0.000 1.126 375 R CA 1.636 57.776 56.100 0.066 0.000 0.963 375 R CB -0.449 29.875 30.300 0.040 0.000 0.858 375 R HN 0.382 nan 8.270 nan 0.000 0.435 376 M N 1.291 120.935 119.600 0.073 0.000 2.080 376 M HA -0.196 4.294 4.480 0.018 0.000 0.260 376 M C 1.933 178.271 176.300 0.064 0.000 1.068 376 M CA 1.800 57.135 55.300 0.058 0.000 1.109 376 M CB -0.279 32.341 32.600 0.033 0.000 1.342 376 M HN 0.057 nan 8.290 nan 0.000 0.405 377 Q N -1.285 118.556 119.800 0.068 0.000 2.096 377 Q HA -0.258 4.092 4.340 0.018 0.000 0.204 377 Q C 2.269 178.314 176.000 0.076 0.000 0.982 377 Q CA 1.858 57.697 55.803 0.060 0.000 0.850 377 Q CB -0.663 28.108 28.738 0.055 0.000 0.901 377 Q HN 0.713 nan 8.270 nan 0.000 0.422 378 H N 0.773 119.856 119.070 0.021 0.000 2.352 378 H HA -0.140 4.427 4.556 0.019 0.000 0.299 378 H C 2.004 177.350 175.328 0.030 0.000 1.097 378 H CA 1.424 57.489 56.048 0.028 0.000 1.311 378 H CB -0.032 29.748 29.762 0.030 0.000 1.377 378 H HN 0.205 nan 8.280 nan 0.000 0.504 379 L N 0.132 121.386 121.223 0.052 0.000 2.027 379 L HA -0.168 4.182 4.340 0.018 0.000 0.206 379 L C 2.893 179.735 176.870 -0.047 0.000 1.074 379 L CA 1.044 55.882 54.840 -0.003 0.000 0.745 379 L CB -0.289 41.809 42.059 0.065 0.000 0.898 379 L HN 0.234 nan 8.230 nan 0.000 0.433 380 I N -0.269 120.289 120.570 -0.019 0.000 2.252 380 I HA -0.248 3.933 4.170 0.018 0.000 0.245 380 I C 2.824 178.922 176.117 -0.032 0.000 1.102 380 I CA 1.023 62.313 61.300 -0.017 0.000 1.385 380 I CB -0.539 37.460 38.000 -0.003 0.000 1.064 380 I HN 0.176 nan 8.210 nan 0.000 0.414 381 A N 1.296 124.088 122.820 -0.046 0.000 1.873 381 A HA -0.259 4.071 4.320 0.018 0.000 0.218 381 A C 2.420 179.970 177.584 -0.056 0.000 1.193 381 A CA 1.893 53.904 52.037 -0.044 0.000 0.629 381 A CB -0.711 18.262 19.000 -0.045 0.000 0.826 381 A HN 0.342 nan 8.150 nan 0.000 0.447 382 R N -0.523 119.908 120.500 -0.116 0.000 2.105 382 R HA -0.122 4.228 4.340 0.018 0.000 0.239 382 R C 2.058 178.336 176.300 -0.036 0.000 1.135 382 R CA 1.383 57.427 56.100 -0.093 0.000 0.967 382 R CB -0.349 29.861 30.300 -0.149 0.000 0.861 382 R HN 0.611 nan 8.270 nan 0.000 0.442 383 E N 0.674 120.855 120.200 -0.032 0.000 2.072 383 E HA -0.116 4.244 4.350 0.018 0.000 0.191 383 E C 2.056 178.659 176.600 0.005 0.000 0.985 383 E CA 1.225 57.618 56.400 -0.011 0.000 0.801 383 E CB -0.130 29.562 29.700 -0.014 0.000 0.750 383 E HN 0.337 nan 8.360 nan 0.000 0.452 384 A N 1.519 124.342 122.820 0.005 0.000 1.929 384 A HA -0.181 4.150 4.320 0.018 0.000 0.216 384 A C 2.015 179.623 177.584 0.040 0.000 1.176 384 A CA 1.315 53.363 52.037 0.020 0.000 0.628 384 A CB -0.402 18.605 19.000 0.013 0.000 0.816 384 A HN 0.164 nan 8.150 nan 0.000 0.444 385 E N -0.047 120.178 120.200 0.042 0.000 2.085 385 E HA -0.145 4.216 4.350 0.018 0.000 0.194 385 E C 2.246 178.939 176.600 0.156 0.000 0.994 385 E CA 1.171 57.621 56.400 0.084 0.000 0.801 385 E CB -0.299 29.442 29.700 0.067 0.000 0.743 385 E HN 0.623 nan 8.360 nan 0.000 0.453 386 A N 1.094 123.978 122.820 0.108 0.000 1.933 386 A HA -0.052 4.278 4.320 0.018 0.000 0.218 386 A C 2.273 179.947 177.584 0.150 0.000 1.175 386 A CA 1.519 53.631 52.037 0.124 0.000 0.628 386 A CB -0.445 18.587 19.000 0.053 0.000 0.814 386 A HN 0.281 nan 8.150 nan 0.000 0.444 387 A N -0.982 121.898 122.820 0.100 0.000 2.235 387 A HA 0.364 4.695 4.320 0.018 0.000 0.208 387 A C 1.070 178.778 177.584 0.208 0.000 1.172 387 A CA -0.047 52.047 52.037 0.094 0.000 0.786 387 A CB -0.541 18.477 19.000 0.029 0.000 0.804 387 A HN 0.560 nan 8.150 nan 0.000 0.479 388 M N -0.947 118.724 119.600 0.117 0.000 2.252 388 M HA 0.098 4.589 4.480 0.018 0.000 0.333 388 M C 0.105 176.370 176.300 -0.058 0.000 1.111 388 M CA 0.487 55.755 55.300 -0.054 0.000 1.140 388 M CB 0.151 32.540 32.600 -0.352 0.000 1.538 388 M HN 0.387 nan 8.290 nan 0.000 0.448 389 F N 3.499 123.169 119.950 -0.468 0.000 2.640 389 F HA 0.134 4.683 4.527 0.035 0.000 0.331 389 F C 1.303 176.864 175.800 -0.399 0.000 1.200 389 F CA -0.596 56.963 58.000 -0.735 0.000 1.278 389 F CB -0.192 38.085 39.000 -1.205 0.000 1.571 389 F HN 0.676 nan 8.300 nan 0.000 0.576 390 H N 0.949 120.027 119.070 0.014 0.000 2.325 390 H HA -0.296 4.269 4.556 0.016 0.000 0.293 390 H C 2.389 177.624 175.328 -0.155 0.000 1.106 390 H CA 2.018 58.030 56.048 -0.059 0.000 1.247 390 H CB -0.170 29.489 29.762 -0.172 0.000 1.359 390 H HN 0.524 nan 8.280 nan 0.000 0.488 391 R N 1.170 121.590 120.500 -0.135 0.000 2.096 391 R HA -0.151 4.200 4.340 0.018 0.000 0.240 391 R C 2.162 178.349 176.300 -0.189 0.000 1.139 391 R CA 1.454 57.443 56.100 -0.186 0.000 0.952 391 R CB 0.115 30.328 30.300 -0.145 0.000 0.854 391 R HN 0.145 nan 8.270 nan 0.000 0.436 392 K N 0.681 120.753 120.400 -0.546 0.000 1.991 392 K HA -0.127 4.204 4.320 0.018 0.000 0.207 392 K C 2.138 178.628 176.600 -0.184 0.000 1.045 392 K CA 0.810 56.776 56.287 -0.534 0.000 0.937 392 K CB -0.866 30.988 32.500 -1.077 0.000 0.720 392 K HN 0.143 nan 8.250 nan 0.000 0.438 393 L N 1.085 122.225 121.223 -0.137 0.000 1.991 393 L HA -0.240 4.111 4.340 0.018 0.000 0.221 393 L C 2.304 179.234 176.870 0.099 0.000 1.079 393 L CA 1.797 56.642 54.840 0.008 0.000 0.778 393 L CB -0.892 41.173 42.059 0.010 0.000 0.893 393 L HN 0.172 nan 8.230 nan 0.000 0.437 394 F N 0.431 120.423 119.950 0.070 0.000 2.126 394 F HA -0.243 4.289 4.527 0.009 0.000 0.299 394 F C 2.355 178.236 175.800 0.135 0.000 1.096 394 F CA 2.153 60.268 58.000 0.190 0.000 1.255 394 F CB -0.284 38.919 39.000 0.338 0.000 0.997 394 F HN 0.285 nan 8.300 nan 0.000 0.479 395 E N -0.188 120.071 120.200 0.099 0.000 2.110 395 E HA -0.208 4.152 4.350 0.018 0.000 0.193 395 E C 2.076 178.634 176.600 -0.070 0.000 0.988 395 E CA 1.537 57.929 56.400 -0.013 0.000 0.804 395 E CB -0.184 29.526 29.700 0.017 0.000 0.745 395 E HN 0.618 nan 8.360 nan 0.000 0.458 396 E N 0.456 120.629 120.200 -0.046 0.000 2.076 396 E HA -0.090 4.270 4.350 0.018 0.000 0.190 396 E C 2.223 178.792 176.600 -0.051 0.000 0.979 396 E CA 0.435 56.811 56.400 -0.039 0.000 0.807 396 E CB 0.014 29.704 29.700 -0.016 0.000 0.761 396 E HN 0.208 nan 8.360 nan 0.000 0.454 397 L N 0.949 122.136 121.223 -0.060 0.000 2.042 397 L HA -0.190 4.161 4.340 0.018 0.000 0.210 397 L C 2.590 179.437 176.870 -0.039 0.000 1.076 397 L CA 1.189 55.983 54.840 -0.076 0.000 0.749 397 L CB -0.454 41.539 42.059 -0.109 0.000 0.893 397 L HN 0.131 nan 8.230 nan 0.000 0.432 398 A N -0.053 122.701 122.820 -0.110 0.000 1.930 398 A HA -0.214 4.117 4.320 0.018 0.000 0.217 398 A C 2.342 179.892 177.584 -0.057 0.000 1.175 398 A CA 1.577 53.550 52.037 -0.105 0.000 0.627 398 A CB -0.424 18.364 19.000 -0.353 0.000 0.815 398 A HN 0.288 nan 8.150 nan 0.000 0.443 399 R N 0.444 120.908 120.500 -0.060 0.000 2.073 399 R HA -0.042 4.308 4.340 0.018 0.000 0.234 399 R C 2.102 178.388 176.300 -0.022 0.000 1.134 399 R CA 2.090 58.169 56.100 -0.035 0.000 0.952 399 R CB -0.937 29.344 30.300 -0.032 0.000 0.850 399 R HN 0.362 nan 8.270 nan 0.000 0.433 400 A N -0.466 122.340 122.820 -0.023 0.000 2.019 400 A HA -0.114 4.217 4.320 0.018 0.000 0.219 400 A C 2.024 179.604 177.584 -0.007 0.000 1.164 400 A CA 1.816 53.843 52.037 -0.018 0.000 0.644 400 A CB -0.585 18.400 19.000 -0.026 0.000 0.805 400 A HN 0.573 nan 8.150 nan 0.000 0.449 401 S N -0.459 115.246 115.700 0.009 0.000 2.540 401 S HA 0.007 4.488 4.470 0.018 0.000 0.218 401 S C 1.650 176.267 174.600 0.027 0.000 0.977 401 S CA 0.808 59.027 58.200 0.033 0.000 0.918 401 S CB -0.496 62.760 63.200 0.093 0.000 0.806 401 S HN 0.780 nan 8.310 nan 0.000 0.496 402 S N 2.304 118.009 115.700 0.008 0.000 2.465 402 S HA -0.213 4.267 4.470 0.018 0.000 0.241 402 S C 1.911 176.509 174.600 -0.003 0.000 1.000 402 S CA 1.047 59.245 58.200 -0.003 0.000 0.964 402 S CB -0.700 62.492 63.200 -0.013 0.000 0.763 402 S HN 0.760 nan 8.310 nan 0.000 0.512 403 Q N 1.820 121.620 119.800 -0.000 0.000 2.482 403 Q HA 0.157 4.507 4.340 0.018 0.000 0.209 403 Q C 0.432 176.432 176.000 -0.001 0.000 0.961 403 Q CA 0.579 56.381 55.803 -0.002 0.000 0.945 403 Q CB -0.399 28.338 28.738 -0.002 0.000 1.012 403 Q HN 0.501 nan 8.270 nan 0.000 0.515 404 S N 0.843 116.545 115.700 0.003 0.000 2.437 404 S HA 0.365 4.845 4.470 0.018 0.000 0.305 404 S C 0.292 174.889 174.600 -0.005 0.000 1.109 404 S CA -0.197 58.004 58.200 0.002 0.000 1.099 404 S CB 1.292 64.501 63.200 0.015 0.000 1.004 404 S HN 0.331 nan 8.310 nan 0.000 0.475 405 T N 0.859 115.405 114.554 -0.015 0.000 3.214 405 T HA 0.239 4.600 4.350 0.018 0.000 0.264 405 T C 0.062 174.739 174.700 -0.039 0.000 1.012 405 T CA -0.499 61.587 62.100 -0.023 0.000 0.901 405 T CB -0.522 68.335 68.868 -0.019 0.000 1.070 405 T HN 0.638 nan 8.240 nan 0.000 0.561 406 D N 1.038 121.410 120.400 -0.046 0.000 2.488 406 D HA 0.098 4.748 4.640 0.018 0.000 0.238 406 D C 1.271 177.495 176.300 -0.127 0.000 1.138 406 D CA -0.115 53.833 54.000 -0.087 0.000 0.873 406 D CB 0.595 41.350 40.800 -0.075 0.000 1.183 406 D HN 0.187 nan 8.370 nan 0.000 0.458 407 L N 3.025 124.117 121.223 -0.218 0.000 2.217 407 L HA -0.073 4.277 4.340 0.018 0.000 0.211 407 L C 2.085 178.764 176.870 -0.318 0.000 1.107 407 L CA 0.417 55.114 54.840 -0.238 0.000 0.783 407 L CB -0.416 41.499 42.059 -0.240 0.000 0.919 407 L HN 0.589 nan 8.230 nan 0.000 0.442 408 M N 0.250 119.549 119.600 -0.501 0.000 2.236 408 M HA -0.103 4.388 4.480 0.018 0.000 0.266 408 M C 2.021 178.286 176.300 -0.058 0.000 1.070 408 M CA 1.647 56.779 55.300 -0.280 0.000 1.137 408 M CB -0.285 32.142 32.600 -0.289 0.000 1.378 408 M HN 0.083 nan 8.290 nan 0.000 0.426 409 E N -0.198 119.971 120.200 -0.051 0.000 2.085 409 E HA -0.202 4.159 4.350 0.018 0.000 0.194 409 E C 1.947 178.489 176.600 -0.096 0.000 0.994 409 E CA 1.331 57.736 56.400 0.008 0.000 0.801 409 E CB -0.275 29.458 29.700 0.055 0.000 0.743 409 E HN 0.640 nan 8.360 nan 0.000 0.453 410 A N 1.263 124.039 122.820 -0.075 0.000 1.865 410 A HA -0.235 4.096 4.320 0.018 0.000 0.217 410 A C 2.148 179.717 177.584 -0.026 0.000 1.191 410 A CA 1.582 53.584 52.037 -0.059 0.000 0.623 410 A CB -0.433 18.552 19.000 -0.026 0.000 0.826 410 A HN 0.137 nan 8.150 nan 0.000 0.444 411 M N -0.292 119.329 119.600 0.034 0.000 2.082 411 M HA -0.208 4.283 4.480 0.018 0.000 0.258 411 M C 2.519 178.836 176.300 0.029 0.000 1.069 411 M CA 1.828 57.171 55.300 0.072 0.000 1.102 411 M CB -1.754 30.956 32.600 0.182 0.000 1.336 411 M HN 0.511 nan 8.290 nan 0.000 0.404 412 A N -0.010 122.823 122.820 0.022 0.000 1.851 412 A HA -0.194 4.137 4.320 0.018 0.000 0.216 412 A C 2.282 179.841 177.584 -0.041 0.000 1.195 412 A CA 2.022 54.077 52.037 0.030 0.000 0.622 412 A CB -0.699 18.374 19.000 0.121 0.000 0.831 412 A HN 0.500 nan 8.150 nan 0.000 0.444 413 M N -0.565 118.922 119.600 -0.188 0.000 2.108 413 M HA -0.142 4.348 4.480 0.018 0.000 0.261 413 M C 2.303 178.597 176.300 -0.010 0.000 1.066 413 M CA 1.484 56.710 55.300 -0.123 0.000 1.107 413 M CB -0.692 31.726 32.600 -0.304 0.000 1.356 413 M HN 0.552 nan 8.290 nan 0.000 0.406 414 G N -0.481 108.296 108.800 -0.037 0.000 2.446 414 G HA2 -0.217 3.754 3.960 0.018 0.000 0.217 414 G HA3 -0.217 3.754 3.960 0.018 0.000 0.217 414 G C 1.573 176.430 174.900 -0.072 0.000 1.168 414 G CA 1.350 46.429 45.100 -0.035 0.000 0.771 414 G HN 0.470 nan 8.290 nan 0.000 0.551 415 S N -0.136 115.524 115.700 -0.067 0.000 2.387 415 S HA -0.044 4.436 4.470 0.018 0.000 0.226 415 S C 2.457 176.953 174.600 -0.174 0.000 1.026 415 S CA 0.963 59.112 58.200 -0.086 0.000 0.972 415 S CB -0.122 63.053 63.200 -0.040 0.000 0.814 415 S HN 0.173 nan 8.310 nan 0.000 0.477 416 V N 1.909 121.688 119.914 -0.224 0.000 2.358 416 V HA -0.143 3.988 4.120 0.018 0.000 0.246 416 V C 2.589 178.204 176.094 -0.799 0.000 1.047 416 V CA 1.996 64.016 62.300 -0.466 0.000 1.035 416 V CB -0.637 30.987 31.823 -0.331 0.000 0.658 416 V HN 0.437 nan 8.190 nan 0.000 0.452 417 E N 1.128 120.966 120.200 -0.603 0.000 2.085 417 E HA -0.211 4.150 4.350 0.018 0.000 0.194 417 E C 2.089 178.544 176.600 -0.242 0.000 0.994 417 E CA 1.870 57.984 56.400 -0.476 0.000 0.801 417 E CB -0.494 29.055 29.700 -0.250 0.000 0.743 417 E HN 0.498 nan 8.360 nan 0.000 0.453 418 A N 0.387 123.095 122.820 -0.186 0.000 1.902 418 A HA -0.198 4.133 4.320 0.018 0.000 0.217 418 A C 2.433 179.949 177.584 -0.113 0.000 1.181 418 A CA 2.316 54.287 52.037 -0.111 0.000 0.623 418 A CB -1.128 17.820 19.000 -0.085 0.000 0.818 418 A HN 0.463 nan 8.150 nan 0.000 0.443 419 S N -1.383 114.206 115.700 -0.185 0.000 2.399 419 S HA -0.197 4.284 4.470 0.018 0.000 0.231 419 S C 1.875 176.432 174.600 -0.072 0.000 1.022 419 S CA 1.518 59.624 58.200 -0.157 0.000 0.983 419 S CB -0.718 62.348 63.200 -0.222 0.000 0.803 419 S HN 0.513 nan 8.310 nan 0.000 0.480 420 Y N 1.986 122.205 120.300 -0.136 0.000 2.220 420 Y HA 0.190 4.753 4.550 0.021 0.000 0.291 420 Y C 2.620 178.463 175.900 -0.095 0.000 1.129 420 Y CA 0.871 58.889 58.100 -0.135 0.000 1.161 420 Y CB -0.924 37.428 38.460 -0.180 0.000 0.997 420 Y HN 0.278 nan 8.280 nan 0.000 0.522 421 K N 0.744 121.191 120.400 0.078 0.000 2.025 421 K HA -0.115 4.216 4.320 0.018 0.000 0.207 421 K C 1.804 178.411 176.600 0.013 0.000 1.049 421 K CA 1.744 58.049 56.287 0.031 0.000 0.933 421 K CB -0.634 31.872 32.500 0.009 0.000 0.714 421 K HN 0.432 nan 8.250 nan 0.000 0.438 422 C N 0.171 119.471 119.300 -0.001 0.000 2.693 422 C HA 0.469 4.940 4.460 0.018 0.000 0.286 422 C C 0.467 175.452 174.990 -0.008 0.000 1.277 422 C CA -0.965 58.048 59.018 -0.010 0.000 1.705 422 C CB -1.620 26.106 27.740 -0.023 0.000 1.879 422 C HN 0.438 nan 8.230 nan 0.000 0.607 423 L N 0.813 122.038 121.223 0.005 0.000 3.965 423 L HA -0.252 4.099 4.340 0.018 0.000 0.499 423 L C 1.170 178.035 176.870 -0.010 0.000 1.194 423 L CA 0.428 55.271 54.840 0.005 0.000 0.707 423 L CB -1.987 40.075 42.059 0.005 0.000 1.414 423 L HN 0.715 nan 8.230 nan 0.000 0.802 424 A N 0.660 123.464 122.820 -0.026 0.000 2.507 424 A HA 0.481 4.812 4.320 0.018 0.000 0.235 424 A C 1.328 178.895 177.584 -0.028 0.000 1.070 424 A CA 0.620 52.629 52.037 -0.048 0.000 0.768 424 A CB 0.653 19.610 19.000 -0.071 0.000 1.011 424 A HN 0.731 nan 8.150 nan 0.000 0.502 425 A N 0.933 123.734 122.820 -0.032 0.000 2.132 425 A HA 0.564 4.895 4.320 0.018 0.000 0.213 425 A C 0.996 178.641 177.584 0.101 0.000 1.154 425 A CA 1.439 53.512 52.037 0.059 0.000 0.753 425 A CB -0.369 18.718 19.000 0.145 0.000 0.826 425 A HN 2.358 nan 8.150 nan 0.000 0.469 426 A N -1.607 121.211 122.820 -0.003 0.000 2.566 426 A HA 0.623 4.954 4.320 0.018 0.000 0.290 426 A C -2.023 175.544 177.584 -0.030 0.000 1.071 426 A CA -0.572 51.484 52.037 0.033 0.000 0.658 426 A CB 0.283 19.416 19.000 0.220 0.000 1.285 426 A HN 0.317 nan 8.150 nan 0.000 0.427 427 L N 0.742 121.968 121.223 0.005 0.000 2.349 427 L HA 0.598 4.949 4.340 0.018 0.000 0.278 427 L C -0.693 176.197 176.870 0.034 0.000 0.996 427 L CA 0.021 54.859 54.840 -0.004 0.000 0.825 427 L CB 1.531 43.587 42.059 -0.006 0.000 1.243 427 L HN 0.567 nan 8.230 nan 0.000 0.412 428 I N 3.851 124.433 120.570 0.019 0.000 2.325 428 I HA 0.373 4.553 4.170 0.018 0.000 0.291 428 I C -0.555 175.583 176.117 0.034 0.000 1.019 428 I CA -0.422 60.904 61.300 0.044 0.000 1.302 428 I CB 1.199 39.216 38.000 0.029 0.000 1.401 428 I HN 0.230 nan 8.210 nan 0.000 0.485 429 V N 7.623 127.565 119.914 0.047 0.000 2.487 429 V HA 0.356 4.486 4.120 0.018 0.000 0.298 429 V C -0.301 175.812 176.094 0.030 0.000 1.028 429 V CA -0.717 61.605 62.300 0.036 0.000 0.860 429 V CB 1.702 33.546 31.823 0.035 0.000 0.991 429 V HN 0.342 nan 8.190 nan 0.000 0.427 430 L N 4.427 125.664 121.223 0.023 0.000 2.257 430 L HA 0.717 5.067 4.340 0.018 0.000 0.290 430 L C 0.287 177.175 176.870 0.030 0.000 1.044 430 L CA 0.842 55.692 54.840 0.017 0.000 0.810 430 L CB 1.322 43.376 42.059 -0.010 0.000 1.193 430 L HN 0.863 nan 8.230 nan 0.000 0.425 431 T N 1.314 115.880 114.554 0.020 0.000 2.868 431 T HA 0.467 4.828 4.350 0.018 0.000 0.306 431 T C 0.258 174.966 174.700 0.015 0.000 1.224 431 T CA -0.383 61.724 62.100 0.011 0.000 1.012 431 T CB 1.364 70.205 68.868 -0.045 0.000 1.221 431 T HN 0.560 nan 8.240 nan 0.000 0.499 432 E N 0.850 121.062 120.200 0.020 0.000 2.288 432 E HA 0.101 4.461 4.350 0.018 0.000 0.200 432 E C 2.211 178.818 176.600 0.010 0.000 0.880 432 E CA 1.142 57.560 56.400 0.030 0.000 0.971 432 E CB -0.258 29.473 29.700 0.053 0.000 0.954 432 E HN 0.663 nan 8.360 nan 0.000 0.489 433 S N -0.648 115.047 115.700 -0.007 0.000 2.436 433 S HA 0.139 4.620 4.470 0.018 0.000 0.228 433 S C 1.745 176.283 174.600 -0.104 0.000 1.014 433 S CA 1.183 59.371 58.200 -0.019 0.000 0.950 433 S CB 0.304 63.502 63.200 -0.004 0.000 0.784 433 S HN 0.327 nan 8.310 nan 0.000 0.504 434 G N 1.988 110.651 108.800 -0.228 0.000 2.308 434 G HA2 -0.314 3.657 3.960 0.018 0.000 0.221 434 G HA3 -0.314 3.657 3.960 0.018 0.000 0.221 434 G C 1.083 175.395 174.900 -0.980 0.000 1.032 434 G CA 0.217 44.946 45.100 -0.618 0.000 0.623 434 G HN 0.434 nan 8.290 nan 0.000 0.506 435 R N 0.955 121.148 120.500 -0.512 0.000 2.162 435 R HA -0.183 4.168 4.340 0.018 0.000 0.245 435 R C 2.766 178.962 176.300 -0.173 0.000 1.129 435 R CA 2.302 58.258 56.100 -0.241 0.000 0.940 435 R CB -0.863 29.413 30.300 -0.041 0.000 0.875 435 R HN 0.470 nan 8.270 nan 0.000 0.437 436 S N 0.411 116.054 115.700 -0.096 0.000 2.383 436 S HA -0.181 4.300 4.470 0.018 0.000 0.229 436 S C 2.061 176.644 174.600 -0.028 0.000 1.030 436 S CA 1.350 59.549 58.200 -0.001 0.000 1.002 436 S CB -0.230 63.008 63.200 0.063 0.000 0.829 436 S HN 0.547 nan 8.310 nan 0.000 0.467 437 A N 1.286 124.031 122.820 -0.126 0.000 1.897 437 A HA -0.077 4.253 4.320 0.018 0.000 0.215 437 A C 1.688 179.238 177.584 -0.056 0.000 1.181 437 A CA 1.256 53.244 52.037 -0.082 0.000 0.620 437 A CB -0.939 17.997 19.000 -0.107 0.000 0.821 437 A HN 0.658 nan 8.150 nan 0.000 0.443 438 H N -0.877 118.043 119.070 -0.249 0.000 2.319 438 H HA -0.175 4.391 4.556 0.017 0.000 0.297 438 H C 2.289 177.559 175.328 -0.096 0.000 1.097 438 H CA 1.231 57.020 56.048 -0.433 0.000 1.285 438 H CB 0.063 29.464 29.762 -0.601 0.000 1.368 438 H HN 0.358 nan 8.280 nan 0.000 0.495 439 Q N 0.546 120.411 119.800 0.108 0.000 2.135 439 Q HA -0.110 4.241 4.340 0.018 0.000 0.204 439 Q C 2.643 178.788 176.000 0.242 0.000 0.981 439 Q CA 0.863 56.768 55.803 0.169 0.000 0.856 439 Q CB -0.374 28.451 28.738 0.145 0.000 0.902 439 Q HN 0.366 nan 8.270 nan 0.000 0.425 440 V N 0.694 120.710 119.914 0.171 0.000 2.358 440 V HA -0.204 3.926 4.120 0.018 0.000 0.246 440 V C 2.330 178.545 176.094 0.202 0.000 1.047 440 V CA 1.608 64.015 62.300 0.179 0.000 1.035 440 V CB -1.091 30.794 31.823 0.105 0.000 0.658 440 V HN 0.308 nan 8.190 nan 0.000 0.452 441 A N 0.289 123.212 122.820 0.172 0.000 1.902 441 A HA -0.271 4.060 4.320 0.018 0.000 0.217 441 A C 2.375 180.065 177.584 0.177 0.000 1.181 441 A CA 2.071 54.223 52.037 0.191 0.000 0.623 441 A CB -0.647 18.495 19.000 0.238 0.000 0.818 441 A HN 0.494 nan 8.150 nan 0.000 0.443 442 R N -1.672 118.913 120.500 0.141 0.000 2.140 442 R HA -0.239 4.111 4.340 0.018 0.000 0.250 442 R C 1.181 177.388 176.300 -0.155 0.000 1.150 442 R CA 2.345 58.423 56.100 -0.037 0.000 0.966 442 R CB -0.434 29.781 30.300 -0.141 0.000 0.869 442 R HN 0.588 nan 8.270 nan 0.000 0.445 443 Y N 0.387 120.782 120.300 0.158 0.000 2.461 443 Y HA 0.241 4.798 4.550 0.013 0.000 0.277 443 Y C 0.030 176.118 175.900 0.313 0.000 1.182 443 Y CA -0.174 58.063 58.100 0.229 0.000 1.276 443 Y CB 0.527 39.156 38.460 0.281 0.000 1.087 443 Y HN -0.014 nan 8.280 nan 0.000 0.519 444 R N -0.434 120.254 120.500 0.313 0.000 3.152 444 R HA -0.140 4.211 4.340 0.018 0.000 0.252 444 R C -3.016 173.527 176.300 0.405 0.000 0.930 444 R CA 0.111 56.398 56.100 0.312 0.000 0.642 444 R CB -2.220 28.245 30.300 0.274 0.000 1.205 444 R HN 0.284 nan 8.270 nan 0.000 0.452 445 P HA 0.045 nan 4.420 nan 0.000 0.274 445 P C 0.716 178.161 177.300 0.242 0.000 1.246 445 P CA -0.336 62.853 63.100 0.148 0.000 0.795 445 P CB 0.453 32.136 31.700 -0.029 0.000 1.006 446 R N 1.180 121.748 120.500 0.113 0.000 2.075 446 R HA 0.173 4.524 4.340 0.018 0.000 0.226 446 R C 1.027 177.331 176.300 0.006 0.000 1.114 446 R CA 0.340 56.424 56.100 -0.027 0.000 0.972 446 R CB -1.053 29.020 30.300 -0.379 0.000 0.869 446 R HN 0.419 nan 8.270 nan 0.000 0.437 447 A N 3.313 126.125 122.820 -0.013 0.000 2.483 447 A HA 0.274 4.604 4.320 0.018 0.000 0.238 447 A C -2.044 175.520 177.584 -0.033 0.000 1.070 447 A CA -1.445 50.575 52.037 -0.029 0.000 0.770 447 A CB -0.178 18.807 19.000 -0.025 0.000 1.008 447 A HN 0.258 nan 8.150 nan 0.000 0.497 448 P HA 0.175 nan 4.420 nan 0.000 0.269 448 P C -0.780 176.518 177.300 -0.003 0.000 1.215 448 P CA 0.379 63.407 63.100 -0.121 0.000 0.780 448 P CB 0.408 31.853 31.700 -0.425 0.000 0.898 449 I N 2.845 123.451 120.570 0.061 0.000 2.371 449 I HA 0.291 4.472 4.170 0.018 0.000 0.282 449 I C 0.489 176.703 176.117 0.162 0.000 1.031 449 I CA -0.538 60.823 61.300 0.101 0.000 1.180 449 I CB 0.420 38.483 38.000 0.105 0.000 1.336 449 I HN 0.102 nan 8.210 nan 0.000 0.467 450 I N 6.109 126.783 120.570 0.173 0.000 2.260 450 I HA 0.268 4.449 4.170 0.018 0.000 0.297 450 I C 0.803 177.023 176.117 0.172 0.000 1.143 450 I CA -0.046 61.397 61.300 0.238 0.000 1.271 450 I CB 0.512 38.669 38.000 0.261 0.000 1.461 450 I HN 0.580 nan 8.210 nan 0.000 0.530 451 A N 6.859 129.771 122.820 0.153 0.000 2.309 451 A HA 0.557 4.888 4.320 0.018 0.000 0.290 451 A C -0.122 177.511 177.584 0.082 0.000 1.206 451 A CA -0.367 51.722 52.037 0.087 0.000 0.850 451 A CB 0.394 19.422 19.000 0.046 0.000 1.118 451 A HN 0.439 nan 8.150 nan 0.000 0.523 452 V N 2.824 122.775 119.914 0.063 0.000 2.407 452 V HA 0.640 4.770 4.120 0.018 0.000 0.278 452 V C 0.546 176.660 176.094 0.033 0.000 1.037 452 V CA -0.074 62.257 62.300 0.052 0.000 0.900 452 V CB 1.222 33.071 31.823 0.043 0.000 0.983 452 V HN 0.959 nan 8.190 nan 0.000 0.459 453 T N 4.310 118.884 114.554 0.034 0.000 2.916 453 T HA 0.392 4.753 4.350 0.018 0.000 0.305 453 T C 0.529 175.263 174.700 0.057 0.000 1.119 453 T CA -0.643 61.481 62.100 0.039 0.000 1.008 453 T CB 1.604 70.490 68.868 0.030 0.000 1.129 453 T HN 0.657 nan 8.240 nan 0.000 0.480 454 R N 1.974 122.519 120.500 0.076 0.000 2.317 454 R HA 0.174 4.525 4.340 0.018 0.000 0.208 454 R C 0.388 176.797 176.300 0.181 0.000 0.914 454 R CA -0.125 56.044 56.100 0.115 0.000 1.060 454 R CB 0.174 30.528 30.300 0.090 0.000 1.015 454 R HN 0.352 nan 8.270 nan 0.000 0.498 455 N N 0.753 119.542 118.700 0.148 0.000 2.462 455 N HA -0.003 4.747 4.740 0.018 0.000 0.242 455 N C 0.297 175.936 175.510 0.215 0.000 1.010 455 N CA 0.028 53.174 53.050 0.161 0.000 0.939 455 N CB 0.728 39.269 38.487 0.089 0.000 1.127 455 N HN 0.055 nan 8.380 nan 0.000 0.509 456 H N 1.839 120.931 119.070 0.037 0.000 2.352 456 H HA -0.123 4.444 4.556 0.018 0.000 0.299 456 H C 1.639 176.995 175.328 0.048 0.000 1.097 456 H CA 1.629 57.708 56.048 0.051 0.000 1.311 456 H CB 0.210 30.002 29.762 0.051 0.000 1.377 456 H HN 0.660 nan 8.280 nan 0.000 0.504 457 Q N -0.087 119.815 119.800 0.170 0.000 2.050 457 Q HA -0.159 4.192 4.340 0.018 0.000 0.202 457 Q C 1.913 177.966 176.000 0.088 0.000 0.980 457 Q CA 2.045 57.911 55.803 0.106 0.000 0.840 457 Q CB 0.021 28.805 28.738 0.077 0.000 0.898 457 Q HN 0.419 nan 8.270 nan 0.000 0.424 458 T N 0.841 115.445 114.554 0.084 0.000 2.665 458 T HA -0.246 4.115 4.350 0.018 0.000 0.268 458 T C 1.750 176.478 174.700 0.046 0.000 1.035 458 T CA 1.460 63.603 62.100 0.073 0.000 1.151 458 T CB -0.500 68.397 68.868 0.047 0.000 0.862 458 T HN 0.502 nan 8.240 nan 0.000 0.438 459 A N 1.731 124.565 122.820 0.023 0.000 1.883 459 A HA -0.176 4.154 4.320 0.018 0.000 0.217 459 A C 2.392 179.899 177.584 -0.129 0.000 1.186 459 A CA 1.721 53.729 52.037 -0.049 0.000 0.624 459 A CB -0.512 18.467 19.000 -0.036 0.000 0.822 459 A HN 0.476 nan 8.150 nan 0.000 0.444 460 R N -0.803 119.679 120.500 -0.030 0.000 2.062 460 R HA -0.111 4.239 4.340 0.018 0.000 0.231 460 R C 2.453 178.773 176.300 0.033 0.000 1.136 460 R CA 1.520 57.624 56.100 0.007 0.000 0.948 460 R CB -0.468 29.882 30.300 0.084 0.000 0.845 460 R HN 0.654 nan 8.270 nan 0.000 0.430 461 Q N 0.315 120.159 119.800 0.074 0.000 2.308 461 Q HA -0.147 4.204 4.340 0.018 0.000 0.209 461 Q C 2.012 178.122 176.000 0.183 0.000 0.985 461 Q CA 1.378 57.258 55.803 0.129 0.000 0.881 461 Q CB -0.160 28.666 28.738 0.148 0.000 0.917 461 Q HN 0.388 nan 8.270 nan 0.000 0.443 462 A N 0.405 123.289 122.820 0.107 0.000 2.125 462 A HA -0.179 4.152 4.320 0.018 0.000 0.219 462 A C 1.309 178.984 177.584 0.152 0.000 1.156 462 A CA 0.938 53.072 52.037 0.162 0.000 0.671 462 A CB -0.468 18.541 19.000 0.015 0.000 0.794 462 A HN 0.362 nan 8.150 nan 0.000 0.459 463 H N -0.529 118.625 119.070 0.140 0.000 2.560 463 H HA 0.038 4.604 4.556 0.017 0.000 0.283 463 H C 1.446 176.828 175.328 0.089 0.000 1.028 463 H CA 0.844 56.946 56.048 0.090 0.000 1.221 463 H CB -0.111 29.674 29.762 0.037 0.000 1.363 463 H HN 0.452 nan 8.280 nan 0.000 0.594 464 L N -0.418 120.921 121.223 0.193 0.000 2.554 464 L HA 0.005 4.356 4.340 0.018 0.000 0.226 464 L C -0.168 176.576 176.870 -0.209 0.000 1.137 464 L CA 0.269 55.092 54.840 -0.030 0.000 0.863 464 L CB 0.083 42.045 42.059 -0.161 0.000 0.985 464 L HN 0.090 nan 8.230 nan 0.000 0.451 465 Y N -0.963 119.368 120.300 0.052 0.000 2.393 465 Y HA 0.435 4.994 4.550 0.016 0.000 0.341 465 Y C 0.430 176.380 175.900 0.083 0.000 0.988 465 Y CA -1.357 56.772 58.100 0.048 0.000 1.078 465 Y CB 1.051 39.547 38.460 0.061 0.000 1.203 465 Y HN -0.149 nan 8.280 nan 0.000 0.453 466 R N 1.457 122.076 120.500 0.199 0.000 2.504 466 R HA 0.289 4.640 4.340 0.018 0.000 0.291 466 R C 1.137 177.547 176.300 0.183 0.000 0.974 466 R CA 1.398 57.593 56.100 0.159 0.000 1.077 466 R CB -0.474 29.901 30.300 0.125 0.000 0.926 466 R HN 0.978 nan 8.270 nan 0.000 0.407 467 G N 3.932 112.830 108.800 0.164 0.000 2.234 467 G HA2 -0.292 3.679 3.960 0.018 0.000 0.260 467 G HA3 -0.292 3.679 3.960 0.018 0.000 0.260 467 G C 0.251 175.259 174.900 0.180 0.000 0.987 467 G CA 0.242 45.432 45.100 0.149 0.000 0.625 467 G HN 0.587 nan 8.290 nan 0.000 0.532 468 I N 1.167 121.862 120.570 0.209 0.000 2.363 468 I HA 0.360 4.541 4.170 0.018 0.000 0.292 468 I C -0.007 176.248 176.117 0.230 0.000 1.075 468 I CA -0.401 61.020 61.300 0.201 0.000 1.333 468 I CB 0.366 38.475 38.000 0.180 0.000 1.415 468 I HN 0.094 nan 8.210 nan 0.000 0.502 469 F N 10.266 130.273 119.950 0.096 0.000 2.303 469 F HA 0.416 4.953 4.527 0.017 0.000 0.368 469 F C -2.006 173.841 175.800 0.079 0.000 1.105 469 F CA -2.560 55.513 58.000 0.122 0.000 1.153 469 F CB 0.684 39.784 39.000 0.166 0.000 1.362 469 F HN 0.281 nan 8.300 nan 0.000 0.511 470 P HA 0.145 nan 4.420 nan 0.000 0.276 470 P C -1.148 176.142 177.300 -0.017 0.000 1.230 470 P CA -0.016 63.046 63.100 -0.064 0.000 0.776 470 P CB 1.942 33.502 31.700 -0.232 0.000 0.888 471 V N 4.080 124.036 119.914 0.070 0.000 2.531 471 V HA 0.195 4.325 4.120 0.018 0.000 0.301 471 V C 0.235 176.367 176.094 0.063 0.000 1.034 471 V CA -0.866 61.497 62.300 0.105 0.000 0.865 471 V CB 2.270 34.195 31.823 0.169 0.000 0.995 471 V HN 0.251 nan 8.190 nan 0.000 0.424 472 V N 3.761 123.714 119.914 0.065 0.000 2.406 472 V HA 0.209 4.339 4.120 0.018 0.000 0.272 472 V C 0.302 176.401 176.094 0.008 0.000 1.043 472 V CA -0.317 61.982 62.300 -0.002 0.000 0.915 472 V CB 1.254 33.021 31.823 -0.093 0.000 0.988 472 V HN 1.033 nan 8.190 nan 0.000 0.466 473 C N 6.654 125.964 119.300 0.016 0.000 2.223 473 C HA 0.393 4.863 4.460 0.018 0.000 0.324 473 C C 1.344 176.357 174.990 0.039 0.000 1.196 473 C CA -0.622 58.411 59.018 0.025 0.000 1.628 473 C CB -0.556 27.200 27.740 0.026 0.000 2.229 473 C HN 1.010 nan 8.230 nan 0.000 0.486 474 K N 2.425 122.842 120.400 0.028 0.000 2.404 474 K HA 0.092 4.423 4.320 0.018 0.000 0.194 474 K C 0.155 176.776 176.600 0.034 0.000 1.023 474 K CA 0.013 56.329 56.287 0.048 0.000 1.094 474 K CB 0.125 32.638 32.500 0.021 0.000 0.841 474 K HN 0.729 nan 8.250 nan 0.000 0.523 475 D N 2.785 123.198 120.400 0.023 0.000 2.414 475 D HA 0.044 4.694 4.640 0.018 0.000 0.242 475 D C -2.174 174.137 176.300 0.019 0.000 1.129 475 D CA -1.310 52.699 54.000 0.014 0.000 0.885 475 D CB 0.528 41.330 40.800 0.004 0.000 1.198 475 D HN 0.030 nan 8.370 nan 0.000 0.437 476 P HA -0.011 nan 4.420 nan 0.000 0.270 476 P C -0.192 177.120 177.300 0.019 0.000 1.223 476 P CA -0.356 62.755 63.100 0.018 0.000 0.785 476 P CB 0.533 32.240 31.700 0.013 0.000 0.923 477 V N 3.415 123.347 119.914 0.029 0.000 2.521 477 V HA 0.009 4.140 4.120 0.018 0.000 0.286 477 V C 0.837 176.953 176.094 0.036 0.000 1.034 477 V CA 0.085 62.410 62.300 0.041 0.000 1.045 477 V CB 0.077 31.939 31.823 0.065 0.000 0.974 477 V HN 0.458 nan 8.190 nan 0.000 0.480 478 Q N 3.574 123.392 119.800 0.031 0.000 2.261 478 Q HA 0.270 4.621 4.340 0.018 0.000 0.252 478 Q C 0.998 177.029 176.000 0.051 0.000 0.915 478 Q CA -0.277 55.540 55.803 0.023 0.000 0.915 478 Q CB 1.311 30.046 28.738 -0.005 0.000 1.204 478 Q HN 0.734 nan 8.270 nan 0.000 0.421 479 E N 1.757 121.981 120.200 0.041 0.000 2.065 479 E HA -0.180 4.180 4.350 0.018 0.000 0.201 479 E C 0.060 176.703 176.600 0.071 0.000 1.016 479 E CA 1.557 57.986 56.400 0.049 0.000 0.818 479 E CB 0.072 29.789 29.700 0.028 0.000 0.749 479 E HN 0.676 nan 8.360 nan 0.000 0.453 480 A N 0.903 123.754 122.820 0.053 0.000 2.354 480 A HA -0.027 4.304 4.320 0.018 0.000 0.281 480 A C 0.424 178.068 177.584 0.099 0.000 1.174 480 A CA -0.362 51.713 52.037 0.064 0.000 0.828 480 A CB -0.154 18.858 19.000 0.019 0.000 1.099 480 A HN 0.539 nan 8.150 nan 0.000 0.516 481 W N 3.185 124.443 121.300 -0.070 0.000 2.354 481 W HA -0.246 4.424 4.660 0.017 0.000 0.315 481 W C 1.776 178.236 176.519 -0.097 0.000 1.206 481 W CA 1.922 59.218 57.345 -0.083 0.000 1.290 481 W CB -0.193 29.203 29.460 -0.105 0.000 1.152 481 W HN 0.776 nan 8.180 nan 0.000 0.489 482 A N 0.771 123.525 122.820 -0.111 0.000 1.948 482 A HA -0.275 4.055 4.320 0.018 0.000 0.220 482 A C 1.783 179.234 177.584 -0.220 0.000 1.177 482 A CA 2.139 54.040 52.037 -0.226 0.000 0.636 482 A CB -0.966 17.956 19.000 -0.129 0.000 0.815 482 A HN 0.532 nan 8.150 nan 0.000 0.449 483 E N -0.946 119.168 120.200 -0.144 0.000 2.072 483 E HA -0.186 4.174 4.350 0.018 0.000 0.191 483 E C 1.708 178.210 176.600 -0.164 0.000 0.985 483 E CA 1.174 57.501 56.400 -0.121 0.000 0.801 483 E CB -0.152 29.509 29.700 -0.065 0.000 0.750 483 E HN 0.735 nan 8.360 nan 0.000 0.452 484 D N -0.151 120.123 120.400 -0.211 0.000 2.149 484 D HA -0.112 4.539 4.640 0.018 0.000 0.201 484 D C 1.856 177.931 176.300 -0.375 0.000 0.972 484 D CA 0.551 54.407 54.000 -0.240 0.000 0.835 484 D CB 0.268 40.960 40.800 -0.179 0.000 0.966 484 D HN -0.081 nan 8.370 nan 0.000 0.476 485 V N 0.609 120.169 119.914 -0.591 0.000 2.237 485 V HA -0.231 3.899 4.120 0.018 0.000 0.245 485 V C 1.810 177.732 176.094 -0.286 0.000 1.046 485 V CA 2.123 64.103 62.300 -0.534 0.000 1.007 485 V CB -0.553 30.875 31.823 -0.659 0.000 0.638 485 V HN 0.200 nan 8.190 nan 0.000 0.445 486 D N -0.225 120.032 120.400 -0.238 0.000 2.149 486 D HA -0.189 4.462 4.640 0.018 0.000 0.198 486 D C 1.971 178.207 176.300 -0.106 0.000 0.990 486 D CA 1.228 55.140 54.000 -0.146 0.000 0.839 486 D CB -0.334 40.392 40.800 -0.123 0.000 0.948 486 D HN 0.398 nan 8.370 nan 0.000 0.460 487 L N 0.227 121.382 121.223 -0.113 0.000 2.012 487 L HA -0.187 4.163 4.340 0.018 0.000 0.210 487 L C 2.216 179.050 176.870 -0.061 0.000 1.073 487 L CA 1.526 56.321 54.840 -0.075 0.000 0.748 487 L CB 0.039 42.055 42.059 -0.072 0.000 0.891 487 L HN -0.079 nan 8.230 nan 0.000 0.431 488 R N -1.282 119.167 120.500 -0.086 0.000 2.153 488 R HA -0.044 4.306 4.340 0.018 0.000 0.218 488 R C 2.020 178.300 176.300 -0.033 0.000 1.072 488 R CA 1.061 57.127 56.100 -0.057 0.000 0.990 488 R CB -0.023 30.229 30.300 -0.081 0.000 0.889 488 R HN 0.303 nan 8.270 nan 0.000 0.452 489 V N 1.244 121.126 119.914 -0.053 0.000 2.591 489 V HA -0.138 3.993 4.120 0.018 0.000 0.249 489 V C 1.570 177.665 176.094 0.002 0.000 1.053 489 V CA 1.288 63.571 62.300 -0.028 0.000 1.068 489 V CB -0.333 31.456 31.823 -0.056 0.000 0.689 489 V HN 0.308 nan 8.190 nan 0.000 0.462 490 N N 0.290 118.984 118.700 -0.009 0.000 2.270 490 N HA -0.092 4.658 4.740 0.018 0.000 0.181 490 N C 1.700 177.229 175.510 0.031 0.000 1.016 490 N CA 1.033 54.089 53.050 0.010 0.000 0.870 490 N CB -0.282 38.201 38.487 -0.006 0.000 0.979 490 N HN 0.380 nan 8.380 nan 0.000 0.431 491 L N 1.300 122.538 121.223 0.025 0.000 2.046 491 L HA -0.035 4.315 4.340 0.018 0.000 0.208 491 L C 2.066 178.978 176.870 0.070 0.000 1.077 491 L CA 1.585 56.449 54.840 0.040 0.000 0.747 491 L CB -0.870 41.209 42.059 0.033 0.000 0.896 491 L HN 0.101 nan 8.230 nan 0.000 0.432 492 A N -0.850 122.023 122.820 0.089 0.000 1.972 492 A HA -0.186 4.145 4.320 0.018 0.000 0.219 492 A C 2.204 179.919 177.584 0.219 0.000 1.169 492 A CA 1.965 54.089 52.037 0.145 0.000 0.635 492 A CB -0.484 18.597 19.000 0.135 0.000 0.810 492 A HN 0.505 nan 8.150 nan 0.000 0.446 493 M N -0.244 119.477 119.600 0.202 0.000 2.098 493 M HA -0.098 4.392 4.480 0.018 0.000 0.262 493 M C 1.786 178.185 176.300 0.166 0.000 1.072 493 M CA 1.216 56.701 55.300 0.309 0.000 1.133 493 M CB -1.489 31.225 32.600 0.190 0.000 1.344 493 M HN 0.384 nan 8.290 nan 0.000 0.414 494 N N 0.686 119.429 118.700 0.072 0.000 2.094 494 N HA -0.134 4.617 4.740 0.018 0.000 0.191 494 N C 1.865 177.332 175.510 -0.071 0.000 1.023 494 N CA 1.254 54.305 53.050 0.003 0.000 0.857 494 N CB -0.690 37.803 38.487 0.010 0.000 1.013 494 N HN 0.149 nan 8.380 nan 0.000 0.426 495 V N 0.801 120.680 119.914 -0.058 0.000 2.261 495 V HA -0.179 3.951 4.120 0.018 0.000 0.246 495 V C 2.490 178.342 176.094 -0.404 0.000 1.047 495 V CA 2.115 64.334 62.300 -0.136 0.000 1.015 495 V CB -1.342 30.482 31.823 0.001 0.000 0.642 495 V HN 0.360 nan 8.190 nan 0.000 0.446 496 G N -0.126 108.397 108.800 -0.462 0.000 2.491 496 G HA2 -0.292 3.679 3.960 0.018 0.000 0.218 496 G HA3 -0.292 3.679 3.960 0.018 0.000 0.218 496 G C 1.644 175.861 174.900 -1.139 0.000 1.180 496 G CA 1.127 45.529 45.100 -1.163 0.000 0.774 496 G HN 0.490 nan 8.290 nan 0.000 0.562 497 K N 0.575 120.579 120.400 -0.660 0.000 2.097 497 K HA 0.045 4.376 4.320 0.018 0.000 0.206 497 K C 2.943 179.350 176.600 -0.321 0.000 1.049 497 K CA 0.983 57.054 56.287 -0.360 0.000 0.933 497 K CB -0.220 32.210 32.500 -0.118 0.000 0.717 497 K HN 0.292 nan 8.250 nan 0.000 0.442 498 A N 1.458 124.089 122.820 -0.314 0.000 1.930 498 A HA -0.098 4.232 4.320 0.018 0.000 0.217 498 A C 1.934 179.317 177.584 -0.335 0.000 1.175 498 A CA 1.056 52.944 52.037 -0.249 0.000 0.627 498 A CB -0.124 18.770 19.000 -0.176 0.000 0.815 498 A HN 0.099 nan 8.150 nan 0.000 0.443 499 R N -1.225 118.918 120.500 -0.595 0.000 2.297 499 R HA 0.097 4.447 4.340 0.018 0.000 0.197 499 R C 1.254 177.148 176.300 -0.676 0.000 0.943 499 R CA 0.748 56.371 56.100 -0.795 0.000 1.038 499 R CB -0.502 28.848 30.300 -1.582 0.000 0.957 499 R HN 0.806 nan 8.270 nan 0.000 0.484 500 G N 1.040 109.527 108.800 -0.521 0.000 2.147 500 G HA2 -0.264 3.706 3.960 0.018 0.000 0.244 500 G HA3 -0.264 3.706 3.960 0.018 0.000 0.244 500 G C 0.496 175.321 174.900 -0.126 0.000 1.005 500 G CA 0.170 45.115 45.100 -0.258 0.000 0.713 500 G HN 0.231 nan 8.290 nan 0.000 0.515 501 F N -0.182 119.550 119.950 -0.362 0.000 2.206 501 F HA 0.340 4.879 4.527 0.020 0.000 0.298 501 F C 1.485 177.219 175.800 -0.110 0.000 1.090 501 F CA 0.802 58.630 58.000 -0.286 0.000 1.323 501 F CB -0.647 38.121 39.000 -0.386 0.000 1.028 501 F HN 0.432 nan 8.300 nan 0.000 0.492 502 F N -1.360 118.658 119.950 0.113 0.000 2.745 502 F HA 0.645 5.182 4.527 0.017 0.000 0.316 502 F C -0.793 175.015 175.800 0.013 0.000 1.155 502 F CA -2.244 55.788 58.000 0.054 0.000 0.937 502 F CB 1.132 40.163 39.000 0.052 0.000 1.361 502 F HN -0.209 nan 8.300 nan 0.000 0.472 503 K N -0.212 120.379 120.400 0.318 0.000 2.399 503 K HA 0.483 4.813 4.320 0.018 0.000 0.260 503 K C -1.472 175.229 176.600 0.167 0.000 1.049 503 K CA -1.387 55.012 56.287 0.186 0.000 0.890 503 K CB 1.767 34.317 32.500 0.084 0.000 1.430 503 K HN 0.701 nan 8.250 nan 0.000 0.459 504 K N 0.099 120.559 120.400 0.101 0.000 2.491 504 K HA 0.036 4.366 4.320 0.018 0.000 0.279 504 K C 0.547 177.174 176.600 0.044 0.000 1.026 504 K CA 1.747 58.071 56.287 0.063 0.000 1.070 504 K CB -0.411 32.114 32.500 0.041 0.000 0.887 504 K HN 0.845 nan 8.250 nan 0.000 0.481 505 G N 2.997 111.811 108.800 0.024 0.000 2.175 505 G HA2 -0.204 3.767 3.960 0.018 0.000 0.244 505 G HA3 -0.204 3.767 3.960 0.018 0.000 0.244 505 G C -0.171 174.731 174.900 0.004 0.000 0.982 505 G CA 0.136 45.241 45.100 0.009 0.000 0.641 505 G HN 0.696 nan 8.290 nan 0.000 0.527 506 D N -0.502 119.905 120.400 0.012 0.000 2.414 506 D HA 0.575 5.225 4.640 0.018 0.000 0.251 506 D C 0.421 176.677 176.300 -0.073 0.000 1.252 506 D CA -0.006 53.990 54.000 -0.008 0.000 0.999 506 D CB 1.539 42.365 40.800 0.043 0.000 1.093 506 D HN 0.168 nan 8.370 nan 0.000 0.515 507 V N 0.661 120.517 119.914 -0.097 0.000 2.588 507 V HA 0.459 4.590 4.120 0.018 0.000 0.304 507 V C -0.162 175.822 176.094 -0.184 0.000 1.042 507 V CA -0.661 61.566 62.300 -0.121 0.000 0.877 507 V CB 1.860 33.640 31.823 -0.071 0.000 0.996 507 V HN 0.420 nan 8.190 nan 0.000 0.425 508 V N 3.473 123.256 119.914 -0.218 0.000 3.001 508 V HA 0.696 4.826 4.120 0.018 0.000 0.314 508 V C -0.780 175.228 176.094 -0.144 0.000 1.099 508 V CA -0.903 61.255 62.300 -0.237 0.000 0.989 508 V CB 2.397 33.978 31.823 -0.403 0.000 1.040 508 V HN 0.565 nan 8.190 nan 0.000 0.434 509 I N 2.629 123.132 120.570 -0.112 0.000 2.353 509 I HA 0.534 4.715 4.170 0.018 0.000 0.293 509 I C -0.275 175.808 176.117 -0.056 0.000 0.992 509 I CA -0.457 60.799 61.300 -0.074 0.000 1.268 509 I CB 1.528 39.487 38.000 -0.067 0.000 1.387 509 I HN 0.506 nan 8.210 nan 0.000 0.478 510 V N 7.522 127.413 119.914 -0.038 0.000 2.448 510 V HA 0.460 4.591 4.120 0.018 0.000 0.295 510 V C -0.084 176.011 176.094 0.002 0.000 1.025 510 V CA -0.611 61.676 62.300 -0.022 0.000 0.859 510 V CB 2.301 34.107 31.823 -0.029 0.000 0.988 510 V HN 0.457 nan 8.190 nan 0.000 0.431 511 L N 5.432 126.663 121.223 0.014 0.000 2.319 511 L HA 0.752 5.103 4.340 0.018 0.000 0.281 511 L C 0.084 176.977 176.870 0.039 0.000 1.005 511 L CA 0.017 54.878 54.840 0.035 0.000 0.828 511 L CB 2.003 44.089 42.059 0.044 0.000 1.227 511 L HN 0.925 nan 8.230 nan 0.000 0.415 512 T N -0.482 114.105 114.554 0.055 0.000 2.883 512 T HA 0.639 4.999 4.350 0.018 0.000 0.296 512 T C -0.055 174.718 174.700 0.121 0.000 1.117 512 T CA -0.777 61.359 62.100 0.059 0.000 1.006 512 T CB 1.818 70.691 68.868 0.009 0.000 1.191 512 T HN 0.498 nan 8.240 nan 0.000 0.508 513 G N 0.133 109.052 108.800 0.198 0.000 2.370 513 G HA2 0.338 4.308 3.960 0.018 0.000 0.272 513 G HA3 0.338 4.308 3.960 0.018 0.000 0.272 513 G C 0.534 175.686 174.900 0.420 0.000 1.208 513 G CA -0.815 44.452 45.100 0.277 0.000 0.856 513 G HN 0.801 nan 8.290 nan 0.000 0.500 514 W N 3.689 125.052 121.300 0.104 0.000 2.333 514 W HA -0.078 4.593 4.660 0.018 0.000 0.316 514 W C 0.851 177.486 176.519 0.195 0.000 1.215 514 W CA 1.071 58.488 57.345 0.120 0.000 1.278 514 W CB 0.315 29.773 29.460 -0.004 0.000 1.154 514 W HN 0.549 nan 8.180 nan 0.000 0.486 515 R N -1.127 119.409 120.500 0.060 0.000 2.939 515 R HA 0.306 4.657 4.340 0.018 0.000 0.254 515 R C -1.783 173.928 176.300 -0.982 0.000 1.123 515 R CA -1.701 54.124 56.100 -0.458 0.000 1.020 515 R CB -0.419 29.723 30.300 -0.265 0.000 1.206 515 R HN -0.303 nan 8.270 nan 0.000 0.491 516 P HA -0.127 nan 4.420 nan 0.000 0.216 516 P C 1.034 177.958 177.300 -0.627 0.000 1.150 516 P CA 1.560 63.730 63.100 -1.550 0.000 0.837 516 P CB -0.068 31.035 31.700 -0.996 0.000 0.786 517 G N -1.192 107.365 108.800 -0.405 0.000 3.026 517 G HA2 -0.022 3.949 3.960 0.018 0.000 0.208 517 G HA3 -0.022 3.949 3.960 0.018 0.000 0.208 517 G C 0.269 175.095 174.900 -0.124 0.000 1.169 517 G CA -0.029 44.950 45.100 -0.200 0.000 0.788 517 G HN 0.178 nan 8.290 nan 0.000 0.533 518 S N 0.115 115.734 115.700 -0.135 0.000 2.533 518 S HA 0.332 4.813 4.470 0.018 0.000 0.282 518 S C 1.588 176.160 174.600 -0.046 0.000 1.304 518 S CA 0.119 58.256 58.200 -0.104 0.000 1.063 518 S CB 1.514 64.650 63.200 -0.107 0.000 0.881 518 S HN 0.312 nan 8.310 nan 0.000 0.493 519 G N 1.892 110.704 108.800 0.019 0.000 2.920 519 G HA2 0.350 4.320 3.960 0.018 0.000 0.208 519 G HA3 0.350 4.320 3.960 0.018 0.000 0.208 519 G C 0.019 175.130 174.900 0.353 0.000 1.159 519 G CA 0.070 45.281 45.100 0.185 0.000 0.784 519 G HN 0.640 nan 8.290 nan 0.000 0.535 520 F N -2.816 117.162 119.950 0.047 0.000 2.877 520 F HA 0.459 4.997 4.527 0.018 0.000 0.319 520 F C -0.109 175.736 175.800 0.076 0.000 1.174 520 F CA -1.309 56.720 58.000 0.048 0.000 0.903 520 F CB 0.427 39.447 39.000 0.034 0.000 1.357 520 F HN -0.097 nan 8.300 nan 0.000 0.472 521 T N 0.339 114.984 114.554 0.152 0.000 3.474 521 T HA 0.132 4.492 4.350 0.018 0.000 0.270 521 T C 0.433 175.138 174.700 0.008 0.000 1.079 521 T CA -0.147 61.992 62.100 0.065 0.000 1.110 521 T CB -1.103 67.831 68.868 0.110 0.000 1.087 521 T HN 0.715 nan 8.240 nan 0.000 0.784 522 N N 1.142 119.680 118.700 -0.270 0.000 2.461 522 N HA -0.019 4.732 4.740 0.018 0.000 0.188 522 N C -0.403 175.082 175.510 -0.042 0.000 1.134 522 N CA -0.327 52.566 53.050 -0.262 0.000 0.878 522 N CB 0.043 38.173 38.487 -0.596 0.000 0.972 522 N HN 0.478 nan 8.380 nan 0.000 0.456 523 T N 1.187 115.769 114.554 0.047 0.000 2.791 523 T HA 0.340 4.700 4.350 0.018 0.000 0.288 523 T C -0.439 174.311 174.700 0.083 0.000 0.999 523 T CA -0.648 61.520 62.100 0.112 0.000 0.952 523 T CB 1.665 70.701 68.868 0.280 0.000 0.938 523 T HN 0.129 nan 8.240 nan 0.000 0.444 524 M N 3.886 123.520 119.600 0.056 0.000 2.336 524 M HA 0.577 5.068 4.480 0.018 0.000 0.342 524 M C -1.027 175.291 176.300 0.029 0.000 1.128 524 M CA -0.570 54.750 55.300 0.033 0.000 1.016 524 M CB 1.179 33.788 32.600 0.016 0.000 1.665 524 M HN 0.503 nan 8.290 nan 0.000 0.445 525 R N 2.832 123.340 120.500 0.013 0.000 2.621 525 R HA 0.497 4.847 4.340 0.018 0.000 0.284 525 R C -1.617 174.670 176.300 -0.021 0.000 0.998 525 R CA -0.770 55.333 56.100 0.005 0.000 0.895 525 R CB 2.741 33.048 30.300 0.012 0.000 1.195 525 R HN 0.612 nan 8.270 nan 0.000 0.450 526 V N 4.976 124.875 119.914 -0.025 0.000 2.408 526 V HA 0.349 4.480 4.120 0.018 0.000 0.267 526 V C -0.713 175.354 176.094 -0.044 0.000 1.047 526 V CA -0.085 62.190 62.300 -0.041 0.000 0.937 526 V CB 1.262 33.062 31.823 -0.037 0.000 0.999 526 V HN 0.433 nan 8.190 nan 0.000 0.472 527 V N 9.146 129.020 119.914 -0.067 0.000 2.588 527 V HA 0.501 4.631 4.120 0.018 0.000 0.304 527 V C -2.437 173.601 176.094 -0.092 0.000 1.042 527 V CA -1.884 60.374 62.300 -0.070 0.000 0.877 527 V CB 2.459 34.239 31.823 -0.071 0.000 0.996 527 V HN 0.800 nan 8.190 nan 0.000 0.425 528 P HA 0.221 nan 4.420 nan 0.000 0.282 528 P C -0.460 176.795 177.300 -0.076 0.000 1.262 528 P CA -0.227 62.831 63.100 -0.069 0.000 0.773 528 P CB 0.712 32.388 31.700 -0.040 0.000 0.879 529 V N 6.752 126.606 119.914 -0.100 0.000 2.509 529 V HA 0.031 4.161 4.120 0.018 0.000 0.297 529 V C -1.257 174.835 176.094 -0.004 0.000 1.014 529 V CA -0.489 61.771 62.300 -0.068 0.000 1.127 529 V CB -0.555 31.248 31.823 -0.032 0.000 0.925 529 V HN 0.623 nan 8.190 nan 0.000 0.480 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.109 63.100 0.015 0.000 0.800 530 P CB 0.000 31.704 31.700 0.007 0.000 0.726