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 3clw_1_D DATA FIRST_RESID 29 DATA SEQUENCE KVFIIDKQTV YQEIDNFSAS DAWRCAFIGK NWPQEKKEKI ADLLFKREFD DATA SEQUENCE EKGNPIGMAL TNWRVNIGAG SYENREAKEV DNSWNRTECF LSPDGKYDFT DATA SEQUENCE KQAGQQWFMK AARERGMNNF LFFTNSAPYF MTRSASTVST DQDCINLQND DATA SEQUENCE KFDDFARFLV KSAQHFREQG FHVNYISPNN EPNGQWHANS FQEGSFATKA DATA SEQUENCE DLYRMVEELD KAISEAQIDT KILIPEVGDM KYLFEIDSIA KTPDDIIHSM DATA SEQUENCE FYKDGQYSVL KFKNLFNCVA AHDYWSAYPA TLLVDIRNRI HKELSANGHN DATA SEQUENCE TKFWASEYCI LEKNEEITMP ASPERSINLG LYVARIIHND LTLANASAWQ DATA SEQUENCE WWTAVSLGED VPIQLLPLEG SNGLSLQYDG EISTTKMLWT TANYSFFVRP DATA SEQUENCE GMKRIAIKPT YKISDLEAAT SLMISSYTDG KEVVTVAINY SKENQVISLN DATA SEQUENCE CDHAQKGKVY LTTIDKNLRY MGEQPLKKLQ LPARSVATIV V 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 29 K HA 0.000 nan 4.320 nan 0.000 0.191 29 K C 0.000 176.593 176.600 -0.011 0.000 0.988 29 K CA 0.000 56.280 56.287 -0.011 0.000 0.838 29 K CB 0.000 32.535 32.500 0.059 0.000 1.064 30 V N 2.119 121.919 119.914 -0.190 0.000 2.581 30 V HA 0.982 5.102 4.120 0.000 0.000 0.303 30 V C -1.243 174.635 176.094 -0.360 0.000 1.041 30 V CA -0.844 61.385 62.300 -0.119 0.000 0.907 30 V CB 0.933 32.720 31.823 -0.060 0.000 0.994 30 V HN 0.835 nan 8.190 nan 0.000 0.442 31 F N 5.451 125.407 119.950 0.010 0.000 2.518 31 F HA 0.664 5.191 4.527 0.000 0.000 0.323 31 F C -0.268 175.539 175.800 0.012 0.000 1.129 31 F CA -0.568 57.440 58.000 0.013 0.000 0.920 31 F CB 1.979 40.989 39.000 0.016 0.000 1.160 31 F HN 0.332 nan 8.300 nan 0.000 0.440 32 I N 4.646 125.302 120.570 0.145 0.000 2.321 32 I HA 0.309 4.479 4.170 0.000 0.000 0.291 32 I C -0.186 175.995 176.117 0.107 0.000 0.998 32 I CA -0.188 61.170 61.300 0.096 0.000 1.227 32 I CB 0.981 39.008 38.000 0.045 0.000 1.368 32 I HN 0.397 nan 8.210 nan 0.000 0.466 33 I N 5.482 126.103 120.570 0.085 0.000 2.352 33 I HA 0.124 4.294 4.170 0.000 0.000 0.290 33 I C -0.174 175.968 176.117 0.041 0.000 1.036 33 I CA -0.016 61.321 61.300 0.063 0.000 1.336 33 I CB 0.623 38.653 38.000 0.050 0.000 1.407 33 I HN 0.507 nan 8.210 nan 0.000 0.497 34 D N 6.543 126.962 120.400 0.032 0.000 2.473 34 D HA 0.169 4.809 4.640 0.000 0.000 0.226 34 D C 0.827 177.121 176.300 -0.010 0.000 1.089 34 D CA -0.384 53.622 54.000 0.010 0.000 0.883 34 D CB 0.856 41.660 40.800 0.007 0.000 1.029 34 D HN 0.328 nan 8.370 nan 0.000 0.517 35 K N 1.740 122.138 120.400 -0.004 0.000 2.360 35 K HA -0.172 4.148 4.320 0.000 0.000 0.201 35 K C 1.277 177.861 176.600 -0.028 0.000 1.046 35 K CA 0.897 57.179 56.287 -0.009 0.000 0.940 35 K CB 0.317 32.821 32.500 0.005 0.000 0.748 35 K HN 0.324 nan 8.250 nan 0.000 0.465 36 Q N -0.014 119.765 119.800 -0.034 0.000 2.302 36 Q HA 0.022 4.362 4.340 0.000 0.000 0.202 36 Q C -0.058 175.889 176.000 -0.088 0.000 0.936 36 Q CA 0.778 56.553 55.803 -0.046 0.000 0.886 36 Q CB 0.755 29.475 28.738 -0.031 0.000 0.986 36 Q HN 0.032 nan 8.270 nan 0.000 0.487 37 T N 0.843 115.324 114.554 -0.122 0.000 2.794 37 T HA 0.375 4.726 4.350 0.000 0.000 0.304 37 T C -0.608 173.857 174.700 -0.390 0.000 0.973 37 T CA -0.306 61.646 62.100 -0.246 0.000 0.972 37 T CB 0.621 69.360 68.868 -0.216 0.000 0.952 37 T HN -0.154 nan 8.240 nan 0.000 0.509 38 V N 4.112 123.798 119.914 -0.381 0.000 2.612 38 V HA 0.506 4.626 4.120 0.000 0.000 0.301 38 V C -0.456 175.330 176.094 -0.513 0.000 1.046 38 V CA -0.611 61.501 62.300 -0.313 0.000 0.946 38 V CB 1.186 32.941 31.823 -0.114 0.000 1.003 38 V HN 0.731 nan 8.190 nan 0.000 0.459 39 Y N 0.302 120.613 120.300 0.019 0.000 3.246 39 Y HA 0.361 4.912 4.550 0.000 0.000 0.313 39 Y C 0.772 176.706 175.900 0.057 0.000 1.468 39 Y CA -0.560 57.556 58.100 0.026 0.000 0.824 39 Y CB -0.100 38.354 38.460 -0.010 0.000 1.144 39 Y HN 0.541 nan 8.280 nan 0.000 0.790 40 Q N 2.195 122.162 119.800 0.278 0.000 2.368 40 Q HA 0.090 4.430 4.340 0.000 0.000 0.237 40 Q C -0.589 175.524 176.000 0.188 0.000 0.987 40 Q CA -0.394 55.528 55.803 0.199 0.000 0.896 40 Q CB 1.243 30.086 28.738 0.175 0.000 1.241 40 Q HN 0.679 nan 8.270 nan 0.000 0.485 41 E N 2.019 122.319 120.200 0.166 0.000 2.249 41 E HA 0.221 4.572 4.350 0.000 0.000 0.280 41 E C -0.576 176.118 176.600 0.156 0.000 1.016 41 E CA -0.743 55.752 56.400 0.158 0.000 0.830 41 E CB 0.765 30.550 29.700 0.143 0.000 1.081 41 E HN 0.514 nan 8.360 nan 0.000 0.395 42 I N 5.085 125.736 120.570 0.135 0.000 2.396 42 I HA -0.013 4.157 4.170 0.000 0.000 0.289 42 I C 0.729 176.873 176.117 0.044 0.000 1.056 42 I CA 0.074 61.409 61.300 0.058 0.000 1.365 42 I CB 0.821 38.850 38.000 0.048 0.000 1.407 42 I HN 0.735 nan 8.210 nan 0.000 0.509 43 D N 5.076 125.476 120.400 0.000 0.000 2.154 43 D HA -0.008 4.633 4.640 0.000 0.000 0.211 43 D C 0.418 176.641 176.300 -0.128 0.000 0.977 43 D CA 1.343 55.361 54.000 0.031 0.000 0.869 43 D CB 0.283 41.220 40.800 0.229 0.000 1.022 43 D HN 0.752 nan 8.370 nan 0.000 0.461 44 N N -1.690 116.777 118.700 -0.388 0.000 3.127 44 N HA 0.309 5.049 4.740 0.000 0.000 0.239 44 N C -1.843 173.318 175.510 -0.583 0.000 1.407 44 N CA -0.704 52.141 53.050 -0.341 0.000 0.891 44 N CB 0.556 38.859 38.487 -0.305 0.000 1.447 44 N HN -0.176 nan 8.380 nan 0.000 0.507 45 F N -0.270 119.605 119.950 -0.126 0.000 2.480 45 F HA 0.809 5.336 4.527 0.000 0.000 0.329 45 F C 0.772 176.568 175.800 -0.006 0.000 1.091 45 F CA -0.473 57.495 58.000 -0.054 0.000 0.972 45 F CB 2.232 41.251 39.000 0.031 0.000 1.150 45 F HN 0.634 nan 8.300 nan 0.000 0.467 46 S N 1.174 116.976 115.700 0.170 0.000 2.685 46 S HA 0.954 5.424 4.470 0.000 0.000 0.282 46 S C -1.316 173.429 174.600 0.241 0.000 1.159 46 S CA -0.222 58.070 58.200 0.154 0.000 0.833 46 S CB 1.639 64.806 63.200 -0.055 0.000 1.151 46 S HN 0.997 nan 8.310 nan 0.000 0.485 47 A N 0.798 123.762 122.820 0.241 0.000 2.568 47 A HA 0.850 5.171 4.320 0.000 0.000 0.291 47 A C -0.853 176.572 177.584 -0.265 0.000 1.159 47 A CA -0.501 51.614 52.037 0.129 0.000 0.679 47 A CB 1.097 20.241 19.000 0.240 0.000 1.285 47 A HN 0.887 nan 8.150 nan 0.000 0.428 48 S N -0.782 114.643 115.700 -0.457 0.000 2.537 48 S HA 0.477 4.947 4.470 0.000 0.000 0.301 48 S C 0.027 174.048 174.600 -0.965 0.000 1.092 48 S CA 0.183 57.939 58.200 -0.740 0.000 1.048 48 S CB 1.178 64.008 63.200 -0.616 0.000 1.053 48 S HN 0.792 nan 8.310 nan 0.000 0.501 49 D N 2.647 122.456 120.400 -0.984 0.000 2.339 49 D HA 0.176 4.816 4.640 0.000 0.000 0.217 49 D C 0.689 176.704 176.300 -0.474 0.000 1.050 49 D CA -0.116 53.487 54.000 -0.660 0.000 0.856 49 D CB -0.330 40.199 40.800 -0.452 0.000 0.922 49 D HN 0.528 nan 8.370 nan 0.000 0.518 50 A N 0.226 122.678 122.820 -0.613 0.000 2.531 50 A HA 0.217 4.537 4.320 0.000 0.000 0.236 50 A C 0.629 177.914 177.584 -0.499 0.000 1.062 50 A CA 0.285 51.931 52.037 -0.652 0.000 0.760 50 A CB -0.268 18.113 19.000 -1.032 0.000 0.995 50 A HN 0.328 nan 8.150 nan 0.000 0.501 51 W N 0.416 121.661 121.300 -0.092 0.000 0.692 51 W HA -0.363 4.298 4.660 0.000 0.000 0.217 51 W C 1.673 178.338 176.519 0.244 0.000 0.920 51 W CA 2.076 59.464 57.345 0.071 0.000 0.374 51 W CB -1.568 27.936 29.460 0.074 0.000 1.907 51 W HN 0.849 nan 8.180 nan 0.000 1.212 52 R N -0.926 119.767 120.500 0.320 0.000 2.195 52 R HA 0.184 4.525 4.340 0.000 0.000 0.197 52 R C 1.930 178.345 176.300 0.193 0.000 0.990 52 R CA 1.078 57.398 56.100 0.367 0.000 1.048 52 R CB -0.727 29.607 30.300 0.056 0.000 0.997 52 R HN 0.159 nan 8.270 nan 0.000 0.502 53 C N 1.078 120.355 119.300 -0.038 0.000 2.419 53 C HA -0.025 4.436 4.460 0.000 0.000 0.281 53 C C 2.860 177.905 174.990 0.092 0.000 1.336 53 C CA 0.834 59.769 59.018 -0.138 0.000 1.770 53 C CB -0.867 26.610 27.740 -0.437 0.000 1.929 53 C HN 0.571 nan 8.230 nan 0.000 0.509 54 A N 0.571 123.408 122.820 0.028 0.000 1.892 54 A HA -0.204 4.116 4.320 0.000 0.000 0.218 54 A C 1.804 179.272 177.584 -0.194 0.000 1.188 54 A CA 1.929 53.894 52.037 -0.120 0.000 0.631 54 A CB -0.831 17.971 19.000 -0.329 0.000 0.822 54 A HN 0.527 nan 8.150 nan 0.000 0.447 55 F N -0.357 119.618 119.950 0.042 0.000 2.128 55 F HA -0.028 4.499 4.527 0.000 0.000 0.295 55 F C 2.203 178.020 175.800 0.029 0.000 1.100 55 F CA 1.229 59.241 58.000 0.020 0.000 1.260 55 F CB -0.465 38.535 39.000 0.000 0.000 1.009 55 F HN 0.104 nan 8.300 nan 0.000 0.476 56 I N -0.137 120.465 120.570 0.054 0.000 2.142 56 I HA -0.218 3.952 4.170 0.000 0.000 0.240 56 I C 2.763 178.855 176.117 -0.043 0.000 1.078 56 I CA 1.639 62.765 61.300 -0.291 0.000 1.343 56 I CB -1.185 36.558 38.000 -0.429 0.000 1.046 56 I HN 0.204 nan 8.210 nan 0.000 0.405 57 G N 0.287 109.197 108.800 0.184 0.000 2.448 57 G HA2 -0.251 3.710 3.960 0.000 0.000 0.219 57 G HA3 -0.251 3.710 3.960 0.000 0.000 0.219 57 G C 1.745 176.519 174.900 -0.209 0.000 1.127 57 G CA 0.674 45.735 45.100 -0.065 0.000 0.766 57 G HN 0.301 nan 8.290 nan 0.000 0.552 58 K N -0.379 119.999 120.400 -0.036 0.000 2.128 58 K HA 0.058 4.378 4.320 0.000 0.000 0.202 58 K C 1.828 178.441 176.600 0.022 0.000 1.050 58 K CA 0.738 57.012 56.287 -0.023 0.000 0.966 58 K CB 0.135 32.622 32.500 -0.021 0.000 0.759 58 K HN 0.131 nan 8.250 nan 0.000 0.454 59 N N -0.876 117.909 118.700 0.142 0.000 2.407 59 N HA -0.005 4.735 4.740 0.000 0.000 0.182 59 N C -0.251 175.436 175.510 0.295 0.000 1.079 59 N CA 0.211 53.413 53.050 0.254 0.000 0.882 59 N CB 0.112 38.849 38.487 0.417 0.000 1.106 59 N HN 0.036 nan 8.380 nan 0.000 0.461 60 W N 2.808 124.102 121.300 -0.011 0.000 2.150 60 W HA 0.292 4.952 4.660 0.000 0.000 0.341 60 W C -1.845 174.629 176.519 -0.074 0.000 1.276 60 W CA -1.555 55.782 57.345 -0.013 0.000 1.238 60 W CB -0.680 28.779 29.460 -0.001 0.000 1.128 60 W HN -0.094 nan 8.180 nan 0.000 0.581 61 P HA -0.109 nan 4.420 nan 0.000 0.264 61 P C 0.638 177.963 177.300 0.042 0.000 1.183 61 P CA 0.208 63.335 63.100 0.046 0.000 0.763 61 P CB 0.684 32.393 31.700 0.014 0.000 0.807 62 Q N 3.057 122.862 119.800 0.008 0.000 2.029 62 Q HA -0.280 4.061 4.340 0.000 0.000 0.209 62 Q C 1.603 177.637 176.000 0.056 0.000 0.999 62 Q CA 2.170 57.977 55.803 0.005 0.000 0.857 62 Q CB -0.562 28.198 28.738 0.037 0.000 0.926 62 Q HN 0.496 nan 8.270 nan 0.000 0.415 63 E N -0.395 119.847 120.200 0.070 0.000 2.130 63 E HA -0.223 4.127 4.350 0.000 0.000 0.196 63 E C 1.995 178.663 176.600 0.113 0.000 0.998 63 E CA 1.415 57.867 56.400 0.088 0.000 0.806 63 E CB -0.052 29.690 29.700 0.070 0.000 0.738 63 E HN 0.351 nan 8.360 nan 0.000 0.459 64 K N 0.719 121.199 120.400 0.134 0.000 2.062 64 K HA -0.109 4.211 4.320 0.000 0.000 0.205 64 K C 2.139 178.866 176.600 0.211 0.000 1.051 64 K CA 0.758 57.171 56.287 0.211 0.000 0.941 64 K CB -0.118 32.572 32.500 0.316 0.000 0.719 64 K HN -0.048 nan 8.250 nan 0.000 0.440 65 K N 1.285 121.760 120.400 0.125 0.000 2.059 65 K HA -0.186 4.134 4.320 0.000 0.000 0.212 65 K C 2.032 178.742 176.600 0.183 0.000 1.050 65 K CA 1.662 57.915 56.287 -0.057 0.000 0.927 65 K CB 0.096 32.252 32.500 -0.573 0.000 0.714 65 K HN 0.180 nan 8.250 nan 0.000 0.447 66 E N 0.137 120.471 120.200 0.224 0.000 2.158 66 E HA -0.175 4.175 4.350 0.000 0.000 0.191 66 E C 1.920 178.621 176.600 0.169 0.000 0.982 66 E CA 0.800 57.355 56.400 0.258 0.000 0.823 66 E CB 0.045 29.865 29.700 0.201 0.000 0.766 66 E HN 0.140 nan 8.360 nan 0.000 0.468 67 K N 1.804 122.290 120.400 0.144 0.000 2.026 67 K HA -0.102 4.218 4.320 0.000 0.000 0.208 67 K C 1.968 178.625 176.600 0.095 0.000 1.048 67 K CA 0.995 57.350 56.287 0.113 0.000 0.929 67 K CB -0.344 32.225 32.500 0.116 0.000 0.713 67 K HN 0.030 nan 8.250 nan 0.000 0.439 68 I N 0.678 121.322 120.570 0.124 0.000 2.142 68 I HA -0.282 3.889 4.170 0.000 0.000 0.240 68 I C 2.368 178.521 176.117 0.061 0.000 1.078 68 I CA 1.321 62.679 61.300 0.096 0.000 1.343 68 I CB -0.555 37.544 38.000 0.165 0.000 1.046 68 I HN 0.296 nan 8.210 nan 0.000 0.405 69 A N 0.623 123.546 122.820 0.172 0.000 1.917 69 A HA -0.291 4.029 4.320 0.000 0.000 0.219 69 A C 1.944 179.552 177.584 0.040 0.000 1.182 69 A CA 2.349 54.477 52.037 0.150 0.000 0.633 69 A CB -0.740 18.362 19.000 0.170 0.000 0.819 69 A HN 0.383 nan 8.150 nan 0.000 0.448 70 D N 0.017 120.444 120.400 0.046 0.000 2.116 70 D HA -0.147 4.493 4.640 0.000 0.000 0.193 70 D C 1.774 178.042 176.300 -0.052 0.000 0.998 70 D CA 1.295 55.308 54.000 0.021 0.000 0.836 70 D CB -0.411 40.418 40.800 0.047 0.000 0.951 70 D HN 0.481 nan 8.370 nan 0.000 0.449 71 L N -0.053 121.110 121.223 -0.101 0.000 2.465 71 L HA -0.038 4.302 4.340 0.000 0.000 0.224 71 L C 2.240 178.919 176.870 -0.320 0.000 1.145 71 L CA 0.274 55.000 54.840 -0.190 0.000 0.834 71 L CB -0.018 41.925 42.059 -0.192 0.000 0.944 71 L HN 0.044 nan 8.230 nan 0.000 0.451 72 L N -2.359 118.586 121.223 -0.463 0.000 2.286 72 L HA 0.067 4.407 4.340 0.000 0.000 0.203 72 L C 1.603 178.049 176.870 -0.707 0.000 1.068 72 L CA 0.685 55.035 54.840 -0.818 0.000 0.811 72 L CB 0.060 41.184 42.059 -1.557 0.000 0.989 72 L HN 0.157 nan 8.230 nan 0.000 0.467 73 F N -1.122 118.753 119.950 -0.125 0.000 2.747 73 F HA 0.242 4.769 4.527 0.000 0.000 0.305 73 F C 1.025 176.759 175.800 -0.110 0.000 1.065 73 F CA -0.670 57.250 58.000 -0.133 0.000 1.230 73 F CB 0.120 39.014 39.000 -0.176 0.000 1.027 73 F HN -0.257 nan 8.300 nan 0.000 0.607 74 K N 2.111 122.554 120.400 0.071 0.000 2.349 74 K HA 0.159 4.479 4.320 0.000 0.000 0.288 74 K C 0.309 176.908 176.600 -0.002 0.000 1.058 74 K CA -0.314 55.993 56.287 0.033 0.000 0.953 74 K CB 0.521 33.045 32.500 0.039 0.000 0.997 74 K HN -0.190 nan 8.250 nan 0.000 0.477 75 R N 4.802 125.248 120.500 -0.090 0.000 3.070 75 R HA 0.161 4.501 4.340 0.000 0.000 0.252 75 R C -1.003 175.182 176.300 -0.191 0.000 1.370 75 R CA 0.092 56.021 56.100 -0.285 0.000 1.482 75 R CB 0.005 30.044 30.300 -0.436 0.000 1.220 75 R HN 0.748 nan 8.270 nan 0.000 0.622 76 E N 1.514 121.707 120.200 -0.013 0.000 2.408 76 E HA 0.326 4.676 4.350 0.000 0.000 0.275 76 E C -0.941 175.640 176.600 -0.033 0.000 0.935 76 E CA -0.797 55.615 56.400 0.020 0.000 0.775 76 E CB 1.900 31.642 29.700 0.069 0.000 1.277 76 E HN 0.086 nan 8.360 nan 0.000 0.455 77 F N 0.986 121.043 119.950 0.178 0.000 2.483 77 F HA 0.177 4.705 4.527 0.000 0.000 0.329 77 F C 1.053 176.897 175.800 0.073 0.000 1.064 77 F CA -0.733 57.328 58.000 0.102 0.000 0.986 77 F CB 0.836 39.894 39.000 0.098 0.000 1.218 77 F HN 0.375 nan 8.300 nan 0.000 0.484 78 D N 0.633 121.179 120.400 0.245 0.000 2.398 78 D HA 0.254 4.894 4.640 0.000 0.000 0.264 78 D C 1.175 177.569 176.300 0.156 0.000 1.263 78 D CA 0.240 54.337 54.000 0.162 0.000 1.037 78 D CB -0.245 40.624 40.800 0.114 0.000 1.101 78 D HN 0.624 nan 8.370 nan 0.000 0.551 79 E N -0.967 119.299 120.200 0.110 0.000 2.077 79 E HA -0.082 4.268 4.350 0.000 0.000 0.193 79 E C 2.101 178.757 176.600 0.093 0.000 0.989 79 E CA 2.388 58.842 56.400 0.090 0.000 0.800 79 E CB -1.400 28.341 29.700 0.067 0.000 0.746 79 E HN 0.708 nan 8.360 nan 0.000 0.452 80 K N -0.065 120.396 120.400 0.102 0.000 2.546 80 K HA 0.447 4.767 4.320 0.000 0.000 0.198 80 K C 1.789 178.503 176.600 0.191 0.000 1.028 80 K CA 0.968 57.326 56.287 0.117 0.000 1.150 80 K CB -1.335 31.218 32.500 0.089 0.000 0.876 80 K HN 1.551 nan 8.250 nan 0.000 0.508 81 G N 0.980 109.883 108.800 0.172 0.000 2.179 81 G HA2 -0.231 3.729 3.960 0.000 0.000 0.257 81 G HA3 -0.231 3.729 3.960 0.000 0.000 0.257 81 G C -0.213 174.868 174.900 0.302 0.000 1.010 81 G CA 0.107 45.283 45.100 0.128 0.000 0.736 81 G HN 0.640 nan 8.290 nan 0.000 0.513 82 N N 1.057 119.952 118.700 0.324 0.000 2.518 82 N HA 0.400 5.140 4.740 0.000 0.000 0.283 82 N C -2.789 172.833 175.510 0.186 0.000 1.119 82 N CA -1.379 51.851 53.050 0.300 0.000 0.983 82 N CB 1.266 39.830 38.487 0.128 0.000 1.139 82 N HN 0.027 nan 8.380 nan 0.000 0.465 83 P HA 0.047 nan 4.420 nan 0.000 0.264 83 P C 1.043 178.110 177.300 -0.389 0.000 1.193 83 P CA -0.036 62.500 63.100 -0.940 0.000 0.763 83 P CB 0.316 30.916 31.700 -1.834 0.000 0.810 84 I N 0.754 121.179 120.570 -0.241 0.000 3.291 84 I HA 0.281 4.451 4.170 0.000 0.000 0.279 84 I C 0.806 176.982 176.117 0.100 0.000 1.294 84 I CA 0.524 61.837 61.300 0.022 0.000 1.428 84 I CB -0.315 37.717 38.000 0.052 0.000 1.070 84 I HN 0.388 nan 8.210 nan 0.000 0.478 85 G N 0.329 109.115 108.800 -0.023 0.000 2.335 85 G HA2 0.193 4.153 3.960 0.000 0.000 0.291 85 G HA3 0.193 4.153 3.960 0.000 0.000 0.291 85 G C -0.191 174.621 174.900 -0.148 0.000 1.261 85 G CA -0.331 44.669 45.100 -0.167 0.000 0.871 85 G HN 0.016 nan 8.290 nan 0.000 0.491 86 M N 0.692 120.165 119.600 -0.212 0.000 2.419 86 M HA 0.293 4.773 4.480 0.000 0.000 0.264 86 M C 1.781 178.065 176.300 -0.027 0.000 1.082 86 M CA 1.332 56.556 55.300 -0.126 0.000 1.119 86 M CB -0.143 32.368 32.600 -0.149 0.000 1.398 86 M HN 1.651 nan 8.290 nan 0.000 0.453 87 A N 2.009 124.814 122.820 -0.024 0.000 2.312 87 A HA -0.176 4.144 4.320 0.000 0.000 0.286 87 A C 0.104 177.679 177.584 -0.014 0.000 1.425 87 A CA 0.250 52.260 52.037 -0.046 0.000 0.748 87 A CB -2.461 16.427 19.000 -0.186 0.000 1.126 87 A HN 0.506 nan 8.150 nan 0.000 0.368 88 L N -0.468 120.780 121.223 0.041 0.000 2.492 88 L HA 0.253 4.593 4.340 0.000 0.000 0.280 88 L C 1.722 178.686 176.870 0.157 0.000 1.240 88 L CA 0.738 55.667 54.840 0.150 0.000 0.831 88 L CB 0.262 42.455 42.059 0.223 0.000 1.100 88 L HN 0.774 nan 8.230 nan 0.000 0.505 89 T N -3.401 111.235 114.554 0.137 0.000 3.058 89 T HA 0.192 4.543 4.350 0.000 0.000 0.278 89 T C 0.106 174.819 174.700 0.022 0.000 0.974 89 T CA -0.435 61.699 62.100 0.057 0.000 0.893 89 T CB -0.094 68.799 68.868 0.041 0.000 1.138 89 T HN 0.556 nan 8.240 nan 0.000 0.529 90 N N -0.085 118.652 118.700 0.063 0.000 2.380 90 N HA 0.542 5.282 4.740 0.000 0.000 0.290 90 N C -2.146 173.535 175.510 0.285 0.000 1.236 90 N CA -0.895 52.196 53.050 0.069 0.000 0.780 90 N CB 1.928 40.392 38.487 -0.038 0.000 1.438 90 N HN 0.376 nan 8.380 nan 0.000 0.491 91 W N 2.736 124.058 121.300 0.036 0.000 3.042 91 W HA 0.449 5.109 4.660 0.000 0.000 0.337 91 W C -1.165 175.517 176.519 0.273 0.000 1.086 91 W CA -0.671 56.794 57.345 0.199 0.000 1.236 91 W CB 1.335 30.961 29.460 0.277 0.000 1.381 91 W HN 0.454 nan 8.180 nan 0.000 0.472 92 R N 4.067 124.447 120.500 -0.201 0.000 2.221 92 R HA 0.389 4.729 4.340 0.000 0.000 0.327 92 R C -0.604 175.588 176.300 -0.180 0.000 1.033 92 R CA -0.595 55.458 56.100 -0.078 0.000 0.887 92 R CB 1.800 31.999 30.300 -0.170 0.000 1.057 92 R HN 0.151 nan 8.270 nan 0.000 0.455 93 V N 3.555 123.532 119.914 0.106 0.000 2.347 93 V HA 0.110 4.230 4.120 0.000 0.000 0.280 93 V C 0.434 176.253 176.094 -0.458 0.000 1.021 93 V CA -0.788 61.429 62.300 -0.139 0.000 0.847 93 V CB 1.173 32.953 31.823 -0.070 0.000 0.990 93 V HN 0.772 nan 8.190 nan 0.000 0.444 94 N N 5.389 123.639 118.700 -0.751 0.000 2.400 94 N HA 0.102 4.842 4.740 0.000 0.000 0.267 94 N C -0.275 174.810 175.510 -0.709 0.000 1.208 94 N CA -0.776 51.546 53.050 -1.212 0.000 0.951 94 N CB 0.315 38.295 38.487 -0.845 0.000 1.227 94 N HN 0.464 nan 8.380 nan 0.000 0.488 95 I N 3.015 123.199 120.570 -0.643 0.000 2.587 95 I HA 0.036 4.206 4.170 0.000 0.000 0.284 95 I C 1.545 177.511 176.117 -0.252 0.000 1.134 95 I CA 0.071 61.120 61.300 -0.418 0.000 1.410 95 I CB -0.225 37.598 38.000 -0.294 0.000 1.392 95 I HN 0.448 nan 8.210 nan 0.000 0.545 96 G N 4.607 113.242 108.800 -0.276 0.000 2.503 96 G HA2 0.412 4.372 3.960 0.000 0.000 0.257 96 G HA3 0.412 4.372 3.960 0.000 0.000 0.257 96 G C 0.437 175.289 174.900 -0.080 0.000 1.214 96 G CA -0.102 44.886 45.100 -0.187 0.000 0.839 96 G HN 0.795 nan 8.290 nan 0.000 0.559 97 A N 0.110 122.887 122.820 -0.072 0.000 2.430 97 A HA 0.553 4.873 4.320 0.000 0.000 0.243 97 A C 1.573 179.150 177.584 -0.012 0.000 1.254 97 A CA 0.910 52.885 52.037 -0.103 0.000 0.914 97 A CB -0.194 18.726 19.000 -0.134 0.000 0.998 97 A HN 2.343 nan 8.150 nan 0.000 0.515 98 G N 0.275 109.096 108.800 0.036 0.000 2.142 98 G HA2 -0.242 3.718 3.960 0.000 0.000 0.225 98 G HA3 -0.242 3.718 3.960 0.000 0.000 0.225 98 G C 0.949 175.856 174.900 0.012 0.000 1.015 98 G CA 0.943 46.134 45.100 0.150 0.000 0.716 98 G HN 1.273 nan 8.290 nan 0.000 0.508 99 S N -1.397 114.289 115.700 -0.023 0.000 2.447 99 S HA -0.078 4.393 4.470 0.000 0.000 0.233 99 S C 1.836 176.379 174.600 -0.094 0.000 1.006 99 S CA 1.489 59.631 58.200 -0.097 0.000 0.957 99 S CB -0.246 62.922 63.200 -0.052 0.000 0.773 99 S HN 0.925 nan 8.310 nan 0.000 0.507 100 Y N 2.771 122.994 120.300 -0.128 0.000 2.070 100 Y HA -0.095 4.455 4.550 0.000 0.000 0.279 100 Y C 2.217 178.031 175.900 -0.143 0.000 1.134 100 Y CA 2.115 60.146 58.100 -0.115 0.000 1.113 100 Y CB -0.758 37.647 38.460 -0.091 0.000 0.981 100 Y HN 0.199 nan 8.280 nan 0.000 0.487 101 E N 0.072 120.176 120.200 -0.159 0.000 2.130 101 E HA -0.252 4.098 4.350 0.000 0.000 0.196 101 E C 1.654 178.007 176.600 -0.412 0.000 0.998 101 E CA 1.660 57.916 56.400 -0.240 0.000 0.806 101 E CB -0.381 29.312 29.700 -0.012 0.000 0.738 101 E HN 0.368 nan 8.360 nan 0.000 0.459 102 N N -0.130 118.207 118.700 -0.604 0.000 2.336 102 N HA 0.046 4.787 4.740 0.000 0.000 0.189 102 N C 1.029 176.307 175.510 -0.387 0.000 1.113 102 N CA 0.002 52.643 53.050 -0.682 0.000 0.858 102 N CB 0.113 37.900 38.487 -1.166 0.000 0.970 102 N HN -0.007 nan 8.380 nan 0.000 0.471 103 R N 0.656 120.950 120.500 -0.342 0.000 2.270 103 R HA -0.254 4.087 4.340 0.000 0.000 0.260 103 R C 1.287 177.474 176.300 -0.189 0.000 1.127 103 R CA 2.287 58.231 56.100 -0.260 0.000 0.969 103 R CB -0.119 29.973 30.300 -0.346 0.000 0.918 103 R HN 0.427 nan 8.270 nan 0.000 0.455 104 E N -0.628 119.459 120.200 -0.188 0.000 2.285 104 E HA 0.013 4.363 4.350 0.000 0.000 0.194 104 E C 0.779 177.316 176.600 -0.105 0.000 0.997 104 E CA 0.339 56.660 56.400 -0.131 0.000 0.845 104 E CB 0.114 29.741 29.700 -0.121 0.000 0.782 104 E HN 0.468 nan 8.360 nan 0.000 0.491 105 A N 1.639 124.386 122.820 -0.122 0.000 2.251 105 A HA 0.071 4.391 4.320 0.000 0.000 0.277 105 A C 0.160 177.702 177.584 -0.069 0.000 1.313 105 A CA -0.054 51.931 52.037 -0.088 0.000 0.813 105 A CB 0.204 19.144 19.000 -0.099 0.000 1.210 105 A HN -0.024 nan 8.150 nan 0.000 0.509 106 K N 1.043 121.416 120.400 -0.045 0.000 2.150 106 K HA 0.260 4.580 4.320 0.000 0.000 0.261 106 K C -0.617 175.967 176.600 -0.028 0.000 1.127 106 K CA 0.034 56.305 56.287 -0.027 0.000 0.989 106 K CB 0.253 32.749 32.500 -0.007 0.000 1.475 106 K HN 0.462 nan 8.250 nan 0.000 0.391 107 E N 0.818 120.992 120.200 -0.043 0.000 2.404 107 E HA 0.261 4.611 4.350 0.000 0.000 0.264 107 E C -0.264 176.315 176.600 -0.036 0.000 0.946 107 E CA -1.118 55.250 56.400 -0.054 0.000 0.806 107 E CB 1.777 31.414 29.700 -0.106 0.000 1.334 107 E HN 0.025 nan 8.360 nan 0.000 0.429 108 V N 2.695 122.583 119.914 -0.044 0.000 2.726 108 V HA -0.176 3.945 4.120 0.000 0.000 0.304 108 V C 0.988 177.048 176.094 -0.057 0.000 1.115 108 V CA 1.092 63.359 62.300 -0.055 0.000 1.264 108 V CB -0.259 31.507 31.823 -0.095 0.000 0.867 108 V HN 0.629 nan 8.190 nan 0.000 0.498 109 D N 2.578 122.956 120.400 -0.036 0.000 2.325 109 D HA 0.078 4.718 4.640 0.000 0.000 0.234 109 D C 0.170 176.461 176.300 -0.015 0.000 1.122 109 D CA -0.113 53.882 54.000 -0.008 0.000 0.850 109 D CB -0.335 40.489 40.800 0.039 0.000 0.921 109 D HN 0.831 nan 8.370 nan 0.000 0.513 110 N N -2.416 116.246 118.700 -0.064 0.000 2.823 110 N HA 0.196 4.936 4.740 0.000 0.000 0.251 110 N C 0.215 175.689 175.510 -0.060 0.000 1.392 110 N CA -0.423 52.597 53.050 -0.049 0.000 0.864 110 N CB 1.118 39.588 38.487 -0.028 0.000 1.481 110 N HN -0.177 nan 8.380 nan 0.000 0.508 111 S N -1.394 114.274 115.700 -0.054 0.000 2.470 111 S HA -0.011 4.459 4.470 0.000 0.000 0.225 111 S C 0.828 175.445 174.600 0.028 0.000 1.006 111 S CA -0.074 58.109 58.200 -0.028 0.000 0.934 111 S CB -0.686 62.453 63.200 -0.102 0.000 0.778 111 S HN 0.680 nan 8.310 nan 0.000 0.517 112 W N 2.414 123.635 121.300 -0.131 0.000 2.381 112 W HA 0.137 4.797 4.660 0.000 0.000 0.301 112 W C 1.617 178.080 176.519 -0.093 0.000 1.205 112 W CA 0.509 57.779 57.345 -0.126 0.000 1.285 112 W CB -0.167 29.134 29.460 -0.264 0.000 1.133 112 W HN 0.304 nan 8.180 nan 0.000 0.521 113 N N -0.347 118.242 118.700 -0.185 0.000 2.280 113 N HA 0.096 4.836 4.740 0.000 0.000 0.192 113 N C -0.065 175.326 175.510 -0.198 0.000 1.109 113 N CA 0.181 52.860 53.050 -0.619 0.000 0.855 113 N CB -0.022 37.687 38.487 -1.296 0.000 0.974 113 N HN 0.005 nan 8.380 nan 0.000 0.482 114 R N 0.203 120.685 120.500 -0.029 0.000 2.531 114 R HA 0.377 4.718 4.340 0.000 0.000 0.273 114 R C 0.356 176.692 176.300 0.061 0.000 1.070 114 R CA 0.025 56.147 56.100 0.037 0.000 1.112 114 R CB 0.773 31.139 30.300 0.110 0.000 1.049 114 R HN 0.086 nan 8.270 nan 0.000 0.508 115 T N -1.774 112.804 114.554 0.041 0.000 2.903 115 T HA 0.349 4.700 4.350 0.000 0.000 0.299 115 T C -0.287 174.403 174.700 -0.016 0.000 1.093 115 T CA -1.122 60.962 62.100 -0.025 0.000 1.002 115 T CB 1.842 70.681 68.868 -0.048 0.000 1.127 115 T HN 0.455 nan 8.240 nan 0.000 0.488 116 E N -0.216 119.920 120.200 -0.107 0.000 2.351 116 E HA 0.494 4.844 4.350 0.000 0.000 0.255 116 E C -0.654 175.864 176.600 -0.138 0.000 1.188 116 E CA -0.823 55.530 56.400 -0.078 0.000 0.940 116 E CB 1.042 30.652 29.700 -0.149 0.000 1.094 116 E HN 0.691 nan 8.360 nan 0.000 0.474 117 C N 1.457 120.703 119.300 -0.090 0.000 2.431 117 C HA 0.312 4.772 4.460 0.000 0.000 0.321 117 C C 0.913 175.849 174.990 -0.089 0.000 1.202 117 C CA -0.676 58.270 59.018 -0.119 0.000 1.398 117 C CB -0.742 26.980 27.740 -0.030 0.000 2.047 117 C HN 0.751 nan 8.230 nan 0.000 0.465 118 F N 3.070 123.066 119.950 0.077 0.000 2.236 118 F HA 0.013 4.540 4.527 0.000 0.000 0.302 118 F C 0.978 176.622 175.800 -0.259 0.000 1.073 118 F CA 0.990 58.926 58.000 -0.107 0.000 1.336 118 F CB -0.457 38.452 39.000 -0.152 0.000 1.040 118 F HN 0.441 nan 8.300 nan 0.000 0.507 119 L N -0.196 120.988 121.223 -0.064 0.000 2.325 119 L HA 0.482 4.822 4.340 0.000 0.000 0.278 119 L C 0.161 176.901 176.870 -0.216 0.000 1.023 119 L CA -0.662 53.936 54.840 -0.404 0.000 0.811 119 L CB 1.327 43.097 42.059 -0.481 0.000 1.249 119 L HN -0.004 nan 8.230 nan 0.000 0.431 120 S N 3.187 118.662 115.700 -0.375 0.000 2.704 120 S HA 0.674 5.144 4.470 0.000 0.000 0.305 120 S C -2.214 171.754 174.600 -1.054 0.000 1.107 120 S CA -1.318 56.580 58.200 -0.503 0.000 0.993 120 S CB 1.379 64.419 63.200 -0.267 0.000 1.110 120 S HN 0.558 nan 8.310 nan 0.000 0.534 121 P HA -0.048 nan 4.420 nan 0.000 0.223 121 P C 0.344 177.256 177.300 -0.647 0.000 1.144 121 P CA 1.112 63.408 63.100 -1.339 0.000 0.783 121 P CB -0.258 30.977 31.700 -0.775 0.000 0.771 122 D N -2.069 118.069 120.400 -0.437 0.000 2.328 122 D HA 0.115 4.755 4.640 0.000 0.000 0.226 122 D C 1.413 177.596 176.300 -0.195 0.000 1.066 122 D CA 0.357 54.209 54.000 -0.246 0.000 0.861 122 D CB -0.972 39.729 40.800 -0.165 0.000 0.912 122 D HN 0.170 nan 8.370 nan 0.000 0.521 123 G N -0.103 108.541 108.800 -0.261 0.000 2.179 123 G HA2 -0.268 3.692 3.960 0.000 0.000 0.260 123 G HA3 -0.268 3.692 3.960 0.000 0.000 0.260 123 G C 0.162 175.007 174.900 -0.092 0.000 0.977 123 G CA 0.082 45.094 45.100 -0.147 0.000 0.641 123 G HN 0.323 nan 8.290 nan 0.000 0.533 124 K N -0.307 120.013 120.400 -0.133 0.000 2.098 124 K HA 0.648 4.969 4.320 0.000 0.000 0.261 124 K C -0.405 176.105 176.600 -0.149 0.000 0.987 124 K CA -0.678 55.585 56.287 -0.040 0.000 0.916 124 K CB 0.762 33.243 32.500 -0.031 0.000 1.039 124 K HN 0.195 nan 8.250 nan 0.000 0.455 125 Y N 0.020 120.294 120.300 -0.044 0.000 2.387 125 Y HA 0.219 4.769 4.550 0.000 0.000 0.336 125 Y C 0.017 175.811 175.900 -0.176 0.000 1.067 125 Y CA -0.485 57.520 58.100 -0.158 0.000 1.114 125 Y CB 1.653 39.991 38.460 -0.203 0.000 1.208 125 Y HN 0.455 nan 8.280 nan 0.000 0.458 126 D N 2.449 122.774 120.400 -0.125 0.000 2.358 126 D HA 0.209 4.849 4.640 0.000 0.000 0.253 126 D C -0.911 175.364 176.300 -0.042 0.000 1.288 126 D CA -0.388 53.590 54.000 -0.037 0.000 0.950 126 D CB 0.180 40.997 40.800 0.027 0.000 1.197 126 D HN 0.342 nan 8.370 nan 0.000 0.550 127 F N 1.194 121.150 119.950 0.011 0.000 2.731 127 F HA 0.065 4.593 4.527 0.000 0.000 0.304 127 F C 2.415 178.263 175.800 0.080 0.000 1.133 127 F CA 0.331 58.229 58.000 -0.169 0.000 1.380 127 F CB 0.164 38.633 39.000 -0.885 0.000 1.079 127 F HN 0.332 nan 8.300 nan 0.000 0.550 128 T N -3.166 111.536 114.554 0.248 0.000 3.088 128 T HA 0.037 4.387 4.350 0.000 0.000 0.259 128 T C 0.951 175.784 174.700 0.222 0.000 1.122 128 T CA 0.117 62.345 62.100 0.213 0.000 1.095 128 T CB -0.139 68.814 68.868 0.140 0.000 0.930 128 T HN 0.053 nan 8.240 nan 0.000 0.508 129 K N 1.276 121.836 120.400 0.267 0.000 2.149 129 K HA 0.213 4.533 4.320 0.000 0.000 0.245 129 K C 0.174 176.907 176.600 0.222 0.000 1.024 129 K CA -0.360 56.029 56.287 0.171 0.000 0.899 129 K CB 0.136 32.692 32.500 0.093 0.000 1.038 129 K HN 0.240 nan 8.250 nan 0.000 0.496 130 Q N -0.994 118.807 119.800 0.002 0.000 2.463 130 Q HA -0.271 4.069 4.340 0.000 0.000 0.299 130 Q C 0.488 176.558 176.000 0.117 0.000 1.353 130 Q CA 0.387 56.178 55.803 -0.020 0.000 0.828 130 Q CB -1.738 26.913 28.738 -0.145 0.000 1.157 130 Q HN 0.798 nan 8.270 nan 0.000 0.436 131 A N -0.182 122.693 122.820 0.092 0.000 1.898 131 A HA -0.003 4.317 4.320 0.000 0.000 0.216 131 A C 2.050 179.737 177.584 0.172 0.000 1.181 131 A CA 1.677 53.800 52.037 0.144 0.000 0.620 131 A CB -0.554 18.504 19.000 0.096 0.000 0.819 131 A HN 0.656 nan 8.150 nan 0.000 0.442 132 G N -0.733 108.130 108.800 0.106 0.000 2.418 132 G HA2 -0.237 3.724 3.960 0.000 0.000 0.217 132 G HA3 -0.237 3.724 3.960 0.000 0.000 0.217 132 G C 1.604 176.724 174.900 0.366 0.000 1.158 132 G CA 1.048 46.257 45.100 0.181 0.000 0.771 132 G HN 0.622 nan 8.290 nan 0.000 0.545 133 Q N -0.346 119.595 119.800 0.236 0.000 2.172 133 Q HA -0.035 4.305 4.340 0.000 0.000 0.200 133 Q C 2.722 178.872 176.000 0.250 0.000 0.964 133 Q CA 0.988 56.948 55.803 0.261 0.000 0.855 133 Q CB -0.079 28.689 28.738 0.051 0.000 0.918 133 Q HN 0.569 nan 8.270 nan 0.000 0.444 134 Q N -0.618 119.297 119.800 0.191 0.000 2.119 134 Q HA -0.196 4.145 4.340 0.000 0.000 0.201 134 Q C 1.622 177.703 176.000 0.135 0.000 0.972 134 Q CA 1.162 57.035 55.803 0.118 0.000 0.847 134 Q CB -0.205 28.678 28.738 0.241 0.000 0.903 134 Q HN 0.467 nan 8.270 nan 0.000 0.433 135 W N 0.414 121.761 121.300 0.078 0.000 2.338 135 W HA -0.233 4.427 4.660 0.000 0.000 0.304 135 W C 1.430 177.921 176.519 -0.047 0.000 1.212 135 W CA 1.494 58.845 57.345 0.009 0.000 1.264 135 W CB -0.306 29.131 29.460 -0.038 0.000 1.142 135 W HN 0.050 nan 8.180 nan 0.000 0.512 136 F N -0.038 120.063 119.950 0.251 0.000 2.234 136 F HA -0.199 4.328 4.527 0.000 0.000 0.299 136 F C 2.455 178.142 175.800 -0.188 0.000 1.087 136 F CA 1.772 59.821 58.000 0.083 0.000 1.340 136 F CB -0.565 38.663 39.000 0.380 0.000 1.031 136 F HN -0.171 nan 8.300 nan 0.000 0.500 137 M N 0.106 119.713 119.600 0.011 0.000 2.132 137 M HA -0.176 4.305 4.480 0.000 0.000 0.263 137 M C 2.644 178.895 176.300 -0.081 0.000 1.065 137 M CA 2.091 57.269 55.300 -0.203 0.000 1.122 137 M CB -0.669 31.410 32.600 -0.867 0.000 1.365 137 M HN 0.067 nan 8.290 nan 0.000 0.411 138 K N 0.624 120.948 120.400 -0.127 0.000 2.057 138 K HA 0.011 4.331 4.320 0.000 0.000 0.207 138 K C 2.072 178.495 176.600 -0.294 0.000 1.049 138 K CA 1.770 58.032 56.287 -0.042 0.000 0.931 138 K CB -1.509 30.913 32.500 -0.129 0.000 0.714 138 K HN 0.505 nan 8.250 nan 0.000 0.440 139 A N 0.992 123.429 122.820 -0.638 0.000 1.902 139 A HA 0.267 4.587 4.320 0.000 0.000 0.217 139 A C 2.798 180.122 177.584 -0.433 0.000 1.181 139 A CA 2.065 53.687 52.037 -0.693 0.000 0.623 139 A CB -0.878 17.438 19.000 -1.140 0.000 0.818 139 A HN 0.878 nan 8.150 nan 0.000 0.443 140 A N -0.042 122.421 122.820 -0.594 0.000 1.841 140 A HA -0.219 4.101 4.320 0.000 0.000 0.216 140 A C 2.238 179.600 177.584 -0.371 0.000 1.199 140 A CA 2.015 53.512 52.037 -0.901 0.000 0.621 140 A CB -0.679 17.574 19.000 -1.244 0.000 0.835 140 A HN 0.536 nan 8.150 nan 0.000 0.445 141 R N -0.335 120.102 120.500 -0.106 0.000 2.139 141 R HA -0.206 4.134 4.340 0.000 0.000 0.243 141 R C 2.091 178.325 176.300 -0.109 0.000 1.145 141 R CA 1.895 57.967 56.100 -0.046 0.000 0.976 141 R CB -0.274 30.058 30.300 0.053 0.000 0.866 141 R HN 0.734 nan 8.270 nan 0.000 0.449 142 E N -0.092 120.028 120.200 -0.134 0.000 2.204 142 E HA -0.137 4.213 4.350 0.000 0.000 0.194 142 E C 0.999 177.543 176.600 -0.093 0.000 0.989 142 E CA 0.708 57.037 56.400 -0.119 0.000 0.824 142 E CB 0.237 29.849 29.700 -0.148 0.000 0.756 142 E HN 0.268 nan 8.360 nan 0.000 0.477 143 R N -0.982 119.456 120.500 -0.102 0.000 2.480 143 R HA 0.126 4.466 4.340 0.000 0.000 0.277 143 R C 0.732 176.994 176.300 -0.064 0.000 1.008 143 R CA 0.500 56.566 56.100 -0.056 0.000 1.090 143 R CB 0.590 30.890 30.300 0.001 0.000 1.234 143 R HN 0.209 nan 8.270 nan 0.000 0.549 144 G N 0.652 109.403 108.800 -0.081 0.000 2.153 144 G HA2 -0.281 3.679 3.960 0.000 0.000 0.252 144 G HA3 -0.281 3.679 3.960 0.000 0.000 0.252 144 G C 0.035 174.879 174.900 -0.092 0.000 0.994 144 G CA 0.083 45.138 45.100 -0.075 0.000 0.698 144 G HN 0.232 nan 8.290 nan 0.000 0.521 145 M N 0.907 120.421 119.600 -0.144 0.000 2.044 145 M HA 0.500 4.981 4.480 0.000 0.000 0.333 145 M C -0.449 175.681 176.300 -0.283 0.000 1.004 145 M CA -0.858 54.319 55.300 -0.205 0.000 0.954 145 M CB 0.941 33.388 32.600 -0.255 0.000 1.468 145 M HN 0.082 nan 8.290 nan 0.000 0.414 146 N N 4.310 122.878 118.700 -0.220 0.000 2.703 146 N HA 0.239 4.979 4.740 0.000 0.000 0.283 146 N C -1.808 173.611 175.510 -0.152 0.000 1.851 146 N CA -0.095 52.851 53.050 -0.173 0.000 0.826 146 N CB 0.299 38.765 38.487 -0.036 0.000 1.239 146 N HN 0.631 nan 8.380 nan 0.000 0.495 147 N N 1.194 119.583 118.700 -0.519 0.000 2.533 147 N HA 0.386 5.127 4.740 0.000 0.000 0.289 147 N C -1.946 173.324 175.510 -0.399 0.000 1.103 147 N CA -0.194 52.715 53.050 -0.235 0.000 0.877 147 N CB 0.506 38.958 38.487 -0.059 0.000 1.419 147 N HN -0.010 nan 8.380 nan 0.000 0.517 148 F N 1.898 121.958 119.950 0.183 0.000 2.551 148 F HA 0.532 5.059 4.527 0.000 0.000 0.316 148 F C -0.305 175.626 175.800 0.218 0.000 1.089 148 F CA -0.976 57.144 58.000 0.199 0.000 0.915 148 F CB 1.961 41.031 39.000 0.117 0.000 1.186 148 F HN 0.252 nan 8.300 nan 0.000 0.456 149 L N 3.410 124.917 121.223 0.473 0.000 2.322 149 L HA 0.580 4.920 4.340 0.000 0.000 0.281 149 L C -1.520 175.683 176.870 0.554 0.000 1.014 149 L CA -0.345 54.764 54.840 0.447 0.000 0.815 149 L CB 1.138 43.427 42.059 0.383 0.000 1.247 149 L HN 0.572 nan 8.230 nan 0.000 0.421 150 F N 5.576 125.657 119.950 0.218 0.000 2.415 150 F HA 0.412 4.940 4.527 0.000 0.000 0.348 150 F C -0.250 175.673 175.800 0.204 0.000 1.119 150 F CA -0.983 57.092 58.000 0.124 0.000 1.069 150 F CB 1.285 40.308 39.000 0.038 0.000 1.124 150 F HN 0.442 nan 8.300 nan 0.000 0.472 151 F N 0.966 121.005 119.950 0.148 0.000 2.577 151 F HA 0.777 5.304 4.527 0.000 0.000 0.318 151 F C -0.836 175.005 175.800 0.068 0.000 1.065 151 F CA -1.046 57.014 58.000 0.100 0.000 0.929 151 F CB 1.327 40.378 39.000 0.084 0.000 1.237 151 F HN 0.280 nan 8.300 nan 0.000 0.468 152 T N -0.476 114.171 114.554 0.156 0.000 2.863 152 T HA 0.378 4.728 4.350 0.000 0.000 0.285 152 T C -0.239 174.557 174.700 0.160 0.000 1.009 152 T CA -0.851 61.302 62.100 0.088 0.000 0.989 152 T CB 1.599 70.639 68.868 0.287 0.000 1.004 152 T HN 0.649 nan 8.240 nan 0.000 0.455 153 N N 0.696 119.429 118.700 0.055 0.000 2.353 153 N HA 0.199 4.939 4.740 0.000 0.000 0.185 153 N C 0.027 175.471 175.510 -0.111 0.000 1.098 153 N CA 0.157 53.194 53.050 -0.023 0.000 0.872 153 N CB 0.659 39.135 38.487 -0.019 0.000 0.970 153 N HN 0.731 nan 8.380 nan 0.000 0.467 154 S N -1.107 114.552 115.700 -0.068 0.000 2.565 154 S HA 0.638 5.108 4.470 0.000 0.000 0.274 154 S C -1.465 172.952 174.600 -0.305 0.000 1.144 154 S CA -0.710 57.385 58.200 -0.176 0.000 0.849 154 S CB 0.955 64.052 63.200 -0.172 0.000 1.103 154 S HN 0.162 nan 8.310 nan 0.000 0.455 155 A N 3.199 125.611 122.820 -0.681 0.000 2.406 155 A HA 0.630 4.951 4.320 0.000 0.000 0.243 155 A C -2.598 174.534 177.584 -0.754 0.000 1.082 155 A CA -0.994 50.296 52.037 -1.244 0.000 0.786 155 A CB -0.795 17.383 19.000 -1.370 0.000 1.029 155 A HN 0.605 nan 8.150 nan 0.000 0.495 156 P HA -0.054 nan 4.420 nan 0.000 0.263 156 P C 0.295 176.998 177.300 -0.996 0.000 1.175 156 P CA 0.585 63.090 63.100 -0.992 0.000 0.761 156 P CB 0.020 30.731 31.700 -1.648 0.000 0.794 157 Y N 3.288 123.236 120.300 -0.587 0.000 2.181 157 Y HA -0.279 4.271 4.550 0.000 0.000 0.284 157 Y C 1.676 177.394 175.900 -0.303 0.000 1.179 157 Y CA 1.260 59.157 58.100 -0.337 0.000 1.179 157 Y CB -2.068 36.305 38.460 -0.145 0.000 0.973 157 Y HN 0.331 nan 8.280 nan 0.000 0.519 158 F N -1.412 118.082 119.950 -0.760 0.000 2.699 158 F HA 0.184 4.711 4.527 0.000 0.000 0.298 158 F C 1.696 177.304 175.800 -0.321 0.000 1.154 158 F CA 0.318 58.008 58.000 -0.517 0.000 1.457 158 F CB -0.744 37.845 39.000 -0.684 0.000 1.106 158 F HN 0.054 nan 8.300 nan 0.000 0.585 159 M N 0.894 120.131 119.600 -0.606 0.000 2.441 159 M HA 0.102 4.582 4.480 0.000 0.000 0.244 159 M C 0.867 176.981 176.300 -0.310 0.000 1.122 159 M CA 0.225 55.289 55.300 -0.393 0.000 1.041 159 M CB -0.038 32.247 32.600 -0.525 0.000 1.438 159 M HN 0.260 nan 8.290 nan 0.000 0.484 160 T N -1.654 112.723 114.554 -0.295 0.000 2.754 160 T HA 0.242 4.592 4.350 0.000 0.000 0.286 160 T C 1.003 175.636 174.700 -0.113 0.000 0.997 160 T CA -0.483 61.490 62.100 -0.212 0.000 0.982 160 T CB 1.285 70.046 68.868 -0.178 0.000 1.027 160 T HN 0.248 nan 8.240 nan 0.000 0.529 161 R N 0.163 120.616 120.500 -0.079 0.000 2.127 161 R HA 0.042 4.383 4.340 0.000 0.000 0.217 161 R C 2.538 178.827 176.300 -0.019 0.000 1.074 161 R CA 1.114 57.193 56.100 -0.036 0.000 0.991 161 R CB -0.194 30.094 30.300 -0.020 0.000 0.895 161 R HN 0.813 nan 8.270 nan 0.000 0.450 162 S N 0.090 115.780 115.700 -0.017 0.000 2.631 162 S HA 0.255 4.725 4.470 0.000 0.000 0.217 162 S C 1.034 175.640 174.600 0.010 0.000 0.958 162 S CA 0.199 58.400 58.200 0.000 0.000 0.920 162 S CB 0.729 63.934 63.200 0.010 0.000 0.776 162 S HN 0.327 nan 8.310 nan 0.000 0.517 163 A N -0.221 122.606 122.820 0.011 0.000 2.822 163 A HA -0.052 4.269 4.320 0.000 0.000 0.287 163 A C 0.529 178.164 177.584 0.085 0.000 1.479 163 A CA 0.847 52.916 52.037 0.055 0.000 0.779 163 A CB -2.143 16.892 19.000 0.060 0.000 1.022 163 A HN 1.409 nan 8.150 nan 0.000 0.532 164 S N -2.498 113.231 115.700 0.047 0.000 2.567 164 S HA 0.613 5.084 4.470 0.000 0.000 0.270 164 S C 0.886 175.487 174.600 0.002 0.000 1.152 164 S CA 0.961 59.180 58.200 0.031 0.000 0.835 164 S CB 0.948 64.152 63.200 0.005 0.000 1.115 164 S HN 1.597 nan 8.310 nan 0.000 0.459 165 T N 0.045 114.593 114.554 -0.010 0.000 3.118 165 T HA 0.190 4.540 4.350 0.000 0.000 0.260 165 T C 0.433 175.127 174.700 -0.011 0.000 1.139 165 T CA 0.445 62.522 62.100 -0.038 0.000 1.085 165 T CB -0.325 68.518 68.868 -0.042 0.000 0.934 165 T HN 0.390 nan 8.240 nan 0.000 0.518 166 V N 3.546 123.470 119.914 0.017 0.000 2.333 166 V HA 0.438 4.559 4.120 0.000 0.000 0.274 166 V C 0.636 176.775 176.094 0.074 0.000 1.028 166 V CA -0.982 61.357 62.300 0.065 0.000 0.851 166 V CB 0.757 32.617 31.823 0.062 0.000 1.000 166 V HN 0.646 nan 8.190 nan 0.000 0.456 167 S N 3.276 119.045 115.700 0.115 0.000 2.624 167 S HA 0.337 4.807 4.470 0.000 0.000 0.263 167 S C 0.784 175.471 174.600 0.144 0.000 1.287 167 S CA 0.191 58.458 58.200 0.111 0.000 0.990 167 S CB 1.253 64.543 63.200 0.149 0.000 0.950 167 S HN 0.906 nan 8.310 nan 0.000 0.561 168 T N -3.108 111.493 114.554 0.078 0.000 3.275 168 T HA 0.413 4.763 4.350 0.000 0.000 0.298 168 T C -0.655 173.972 174.700 -0.122 0.000 0.988 168 T CA 0.005 62.145 62.100 0.065 0.000 0.936 168 T CB -0.876 68.016 68.868 0.042 0.000 1.159 168 T HN 0.872 nan 8.240 nan 0.000 0.519 169 D N -0.594 119.618 120.400 -0.313 0.000 2.692 169 D HA 0.317 4.957 4.640 0.000 0.000 0.303 169 D C -0.310 175.636 176.300 -0.590 0.000 1.278 169 D CA -0.821 52.821 54.000 -0.597 0.000 0.852 169 D CB 0.729 41.377 40.800 -0.253 0.000 1.375 169 D HN -0.050 nan 8.370 nan 0.000 0.453 170 Q N -0.881 118.619 119.800 -0.500 0.000 2.063 170 Q HA 0.167 4.507 4.340 0.000 0.000 0.245 170 Q C -0.366 175.375 176.000 -0.432 0.000 0.828 170 Q CA -0.241 55.281 55.803 -0.468 0.000 1.089 170 Q CB 0.401 28.834 28.738 -0.509 0.000 1.232 170 Q HN 0.414 nan 8.270 nan 0.000 0.445 171 D N 0.025 120.332 120.400 -0.155 0.000 2.117 171 D HA -0.053 4.587 4.640 0.000 0.000 0.198 171 D C 1.224 177.636 176.300 0.186 0.000 0.982 171 D CA 1.232 55.223 54.000 -0.016 0.000 0.828 171 D CB 0.159 40.959 40.800 0.000 0.000 0.967 171 D HN 0.495 nan 8.370 nan 0.000 0.464 172 C N -1.895 117.572 119.300 0.280 0.000 3.254 172 C HA 0.505 4.965 4.460 0.000 0.000 0.374 172 C C -0.005 175.182 174.990 0.327 0.000 1.710 172 C CA -1.649 57.599 59.018 0.383 0.000 1.149 172 C CB 0.448 28.320 27.740 0.221 0.000 2.019 172 C HN 0.199 nan 8.230 nan 0.000 0.427 173 I N 2.204 122.884 120.570 0.182 0.000 2.752 173 I HA 0.087 4.258 4.170 0.000 0.000 0.287 173 I C 0.457 176.594 176.117 0.032 0.000 1.188 173 I CA 0.461 61.811 61.300 0.083 0.000 1.427 173 I CB 0.418 38.429 38.000 0.017 0.000 1.365 173 I HN 0.773 nan 8.210 nan 0.000 0.585 174 N N 7.159 125.854 118.700 -0.008 0.000 3.193 174 N HA 0.205 4.945 4.740 0.000 0.000 0.312 174 N C -1.378 174.030 175.510 -0.170 0.000 1.261 174 N CA -0.128 52.888 53.050 -0.056 0.000 1.208 174 N CB -0.380 38.086 38.487 -0.035 0.000 1.471 174 N HN 0.419 nan 8.380 nan 0.000 0.548 175 L N 0.901 122.012 121.223 -0.186 0.000 2.505 175 L HA 0.364 4.704 4.340 0.000 0.000 0.266 175 L C -0.761 176.004 176.870 -0.174 0.000 0.954 175 L CA -0.565 54.093 54.840 -0.304 0.000 0.852 175 L CB 1.733 43.460 42.059 -0.554 0.000 1.282 175 L HN 0.251 nan 8.230 nan 0.000 0.403 176 Q N 3.003 122.730 119.800 -0.121 0.000 2.386 176 Q HA 0.090 4.430 4.340 0.000 0.000 0.282 176 Q C 0.435 176.486 176.000 0.085 0.000 1.050 176 Q CA -0.025 55.771 55.803 -0.012 0.000 0.918 176 Q CB 0.556 29.286 28.738 -0.013 0.000 1.266 176 Q HN 0.579 nan 8.270 nan 0.000 0.423 177 N N 1.796 120.598 118.700 0.169 0.000 2.272 177 N HA -0.145 4.595 4.740 0.000 0.000 0.185 177 N C 0.503 176.200 175.510 0.311 0.000 1.014 177 N CA 1.265 54.493 53.050 0.296 0.000 0.870 177 N CB 0.000 38.589 38.487 0.169 0.000 0.975 177 N HN 0.603 nan 8.380 nan 0.000 0.433 178 D N -0.955 119.565 120.400 0.200 0.000 2.388 178 D HA 0.045 4.685 4.640 0.000 0.000 0.221 178 D C 0.486 176.893 176.300 0.177 0.000 1.133 178 D CA 0.094 54.199 54.000 0.176 0.000 0.831 178 D CB 0.108 40.973 40.800 0.107 0.000 0.962 178 D HN -0.065 nan 8.370 nan 0.000 0.502 179 K N -0.230 120.281 120.400 0.185 0.000 2.387 179 K HA 0.173 4.493 4.320 0.000 0.000 0.203 179 K C 0.789 177.466 176.600 0.129 0.000 1.030 179 K CA -0.368 55.978 56.287 0.097 0.000 1.099 179 K CB -0.035 32.447 32.500 -0.030 0.000 0.863 179 K HN 0.095 nan 8.250 nan 0.000 0.529 180 F N 2.925 122.937 119.950 0.103 0.000 2.134 180 F HA -0.212 4.316 4.527 0.000 0.000 0.299 180 F C 2.217 178.093 175.800 0.127 0.000 1.097 180 F CA 1.816 59.898 58.000 0.136 0.000 1.264 180 F CB -0.262 38.790 39.000 0.086 0.000 1.001 180 F HN 0.165 nan 8.300 nan 0.000 0.479 181 D N -0.192 120.380 120.400 0.287 0.000 2.178 181 D HA -0.168 4.472 4.640 0.000 0.000 0.202 181 D C 1.232 177.643 176.300 0.184 0.000 0.974 181 D CA 1.554 55.665 54.000 0.184 0.000 0.841 181 D CB -0.879 40.003 40.800 0.137 0.000 0.953 181 D HN 0.262 nan 8.370 nan 0.000 0.478 182 D N -0.203 120.315 120.400 0.196 0.000 2.097 182 D HA -0.099 4.542 4.640 0.000 0.000 0.197 182 D C 1.620 178.098 176.300 0.296 0.000 0.984 182 D CA 0.692 54.814 54.000 0.203 0.000 0.826 182 D CB -0.410 40.477 40.800 0.145 0.000 0.973 182 D HN 0.093 nan 8.370 nan 0.000 0.460 183 F N 1.766 121.757 119.950 0.069 0.000 2.102 183 F HA -0.097 4.430 4.527 0.000 0.000 0.298 183 F C 2.201 178.112 175.800 0.184 0.000 1.105 183 F CA 1.240 59.293 58.000 0.088 0.000 1.239 183 F CB -0.880 38.093 39.000 -0.044 0.000 0.991 183 F HN -0.041 nan 8.300 nan 0.000 0.474 184 A N 0.665 123.530 122.820 0.075 0.000 1.908 184 A HA -0.206 4.115 4.320 0.000 0.000 0.218 184 A C 2.427 180.035 177.584 0.041 0.000 1.181 184 A CA 1.737 53.741 52.037 -0.055 0.000 0.627 184 A CB -0.724 18.269 19.000 -0.012 0.000 0.818 184 A HN 0.445 nan 8.150 nan 0.000 0.445 185 R N -1.998 118.586 120.500 0.140 0.000 2.115 185 R HA -0.095 4.246 4.340 0.000 0.000 0.230 185 R C 2.000 178.459 176.300 0.265 0.000 1.111 185 R CA 1.430 57.632 56.100 0.170 0.000 0.976 185 R CB -0.489 29.919 30.300 0.180 0.000 0.870 185 R HN 0.641 nan 8.270 nan 0.000 0.445 186 F N 1.793 121.879 119.950 0.227 0.000 2.102 186 F HA -0.163 4.365 4.527 0.000 0.000 0.298 186 F C 1.841 177.819 175.800 0.296 0.000 1.105 186 F CA 1.383 59.586 58.000 0.338 0.000 1.239 186 F CB -0.383 38.815 39.000 0.330 0.000 0.991 186 F HN -0.126 nan 8.300 nan 0.000 0.474 187 L N -0.405 120.766 121.223 -0.086 0.000 2.012 187 L HA -0.238 4.102 4.340 0.000 0.000 0.210 187 L C 2.443 179.279 176.870 -0.057 0.000 1.073 187 L CA 1.340 56.061 54.840 -0.199 0.000 0.748 187 L CB -1.036 40.897 42.059 -0.209 0.000 0.891 187 L HN 0.056 nan 8.230 nan 0.000 0.431 188 V N 0.140 120.045 119.914 -0.015 0.000 2.358 188 V HA -0.280 3.840 4.120 0.000 0.000 0.246 188 V C 2.539 178.647 176.094 0.024 0.000 1.047 188 V CA 2.018 64.322 62.300 0.007 0.000 1.035 188 V CB -0.483 31.342 31.823 0.003 0.000 0.658 188 V HN 0.452 nan 8.190 nan 0.000 0.452 189 K N 0.207 120.634 120.400 0.044 0.000 2.148 189 K HA -0.133 4.187 4.320 0.000 0.000 0.204 189 K C 2.224 178.858 176.600 0.058 0.000 1.050 189 K CA 1.704 58.000 56.287 0.015 0.000 0.942 189 K CB -0.224 32.262 32.500 -0.024 0.000 0.724 189 K HN 0.416 nan 8.250 nan 0.000 0.446 190 S N 0.730 116.511 115.700 0.135 0.000 2.348 190 S HA -0.149 4.321 4.470 0.000 0.000 0.221 190 S C 2.115 176.981 174.600 0.444 0.000 1.033 190 S CA 1.195 59.592 58.200 0.328 0.000 1.010 190 S CB -0.517 62.844 63.200 0.269 0.000 0.891 190 S HN 0.550 nan 8.310 nan 0.000 0.442 191 A N 1.277 124.301 122.820 0.340 0.000 1.908 191 A HA -0.249 4.071 4.320 0.000 0.000 0.218 191 A C 2.135 179.750 177.584 0.053 0.000 1.181 191 A CA 1.973 54.084 52.037 0.123 0.000 0.627 191 A CB -0.831 18.136 19.000 -0.055 0.000 0.818 191 A HN 0.575 nan 8.150 nan 0.000 0.445 192 Q N -1.346 118.460 119.800 0.010 0.000 2.084 192 Q HA -0.287 4.053 4.340 0.000 0.000 0.202 192 Q C 1.968 177.892 176.000 -0.125 0.000 0.978 192 Q CA 2.088 57.857 55.803 -0.056 0.000 0.844 192 Q CB -0.287 28.412 28.738 -0.065 0.000 0.898 192 Q HN 0.908 nan 8.270 nan 0.000 0.426 193 H N -0.833 118.042 119.070 -0.326 0.000 2.319 193 H HA -0.167 4.389 4.556 0.000 0.000 0.299 193 H C 1.399 176.372 175.328 -0.592 0.000 1.092 193 H CA 2.366 58.013 56.048 -0.669 0.000 1.302 193 H CB -0.255 28.618 29.762 -1.481 0.000 1.373 193 H HN 0.292 nan 8.280 nan 0.000 0.497 194 F N 0.195 120.042 119.950 -0.173 0.000 2.206 194 F HA 0.024 4.551 4.527 0.000 0.000 0.298 194 F C 2.708 178.498 175.800 -0.016 0.000 1.090 194 F CA 0.963 58.935 58.000 -0.047 0.000 1.323 194 F CB -0.179 38.862 39.000 0.068 0.000 1.028 194 F HN 0.042 nan 8.300 nan 0.000 0.492 195 R N 0.447 120.986 120.500 0.065 0.000 2.091 195 R HA -0.185 4.155 4.340 0.000 0.000 0.238 195 R C 1.914 178.159 176.300 -0.092 0.000 1.136 195 R CA 1.751 57.851 56.100 -0.001 0.000 0.959 195 R CB -0.565 29.723 30.300 -0.020 0.000 0.856 195 R HN 0.367 nan 8.270 nan 0.000 0.437 196 E N 0.445 120.543 120.200 -0.170 0.000 2.333 196 E HA -0.171 4.179 4.350 0.000 0.000 0.198 196 E C 1.509 177.958 176.600 -0.252 0.000 1.007 196 E CA 0.771 57.045 56.400 -0.210 0.000 0.845 196 E CB 0.145 29.696 29.700 -0.248 0.000 0.766 196 E HN 0.419 nan 8.360 nan 0.000 0.507 197 Q N -0.907 118.722 119.800 -0.285 0.000 2.360 197 Q HA 0.111 4.451 4.340 0.000 0.000 0.202 197 Q C 0.838 176.614 176.000 -0.373 0.000 0.915 197 Q CA 0.456 56.087 55.803 -0.287 0.000 0.943 197 Q CB 1.180 29.776 28.738 -0.238 0.000 1.064 197 Q HN 0.358 nan 8.270 nan 0.000 0.511 198 G N 0.852 109.454 108.800 -0.330 0.000 2.159 198 G HA2 -0.232 3.728 3.960 0.000 0.000 0.227 198 G HA3 -0.232 3.728 3.960 0.000 0.000 0.227 198 G C -0.257 174.284 174.900 -0.599 0.000 0.986 198 G CA -0.572 44.267 45.100 -0.434 0.000 0.651 198 G HN 0.256 nan 8.290 nan 0.000 0.523 199 F N 1.302 121.149 119.950 -0.171 0.000 2.420 199 F HA 0.493 5.020 4.527 0.000 0.000 0.352 199 F C 1.162 176.928 175.800 -0.056 0.000 1.108 199 F CA -0.583 57.346 58.000 -0.118 0.000 1.162 199 F CB 0.669 39.581 39.000 -0.147 0.000 1.118 199 F HN 0.131 nan 8.300 nan 0.000 0.510 200 H N 2.407 121.690 119.070 0.356 0.000 3.092 200 H HA 0.252 4.808 4.556 0.000 0.000 0.263 200 H C -0.508 174.927 175.328 0.178 0.000 1.611 200 H CA -0.670 55.475 56.048 0.161 0.000 1.457 200 H CB 0.049 29.840 29.762 0.048 0.000 1.731 200 H HN 0.288 nan 8.280 nan 0.000 0.532 201 V N 3.503 123.482 119.914 0.108 0.000 2.352 201 V HA -0.047 4.074 4.120 0.000 0.000 0.253 201 V C 0.693 176.671 176.094 -0.193 0.000 1.083 201 V CA -0.131 62.076 62.300 -0.156 0.000 0.993 201 V CB 0.284 31.740 31.823 -0.611 0.000 1.111 201 V HN 0.817 nan 8.190 nan 0.000 0.490 202 N N 3.077 121.639 118.700 -0.229 0.000 2.322 202 N HA 0.134 4.875 4.740 0.000 0.000 0.181 202 N C -0.457 174.506 175.510 -0.912 0.000 1.088 202 N CA 0.487 53.174 53.050 -0.605 0.000 0.885 202 N CB 0.676 38.679 38.487 -0.806 0.000 1.013 202 N HN 0.652 nan 8.380 nan 0.000 0.472 203 Y N -0.172 120.072 120.300 -0.093 0.000 2.504 203 Y HA 0.568 5.119 4.550 0.000 0.000 0.344 203 Y C -0.414 175.487 175.900 0.003 0.000 1.023 203 Y CA -0.856 57.199 58.100 -0.076 0.000 1.020 203 Y CB 1.833 40.255 38.460 -0.064 0.000 1.282 203 Y HN -0.287 nan 8.280 nan 0.000 0.454 204 I N 1.993 122.664 120.570 0.168 0.000 2.436 204 I HA 0.416 4.586 4.170 0.000 0.000 0.289 204 I C -0.576 175.638 176.117 0.161 0.000 1.010 204 I CA -0.673 60.724 61.300 0.162 0.000 1.098 204 I CB 2.092 40.133 38.000 0.068 0.000 1.266 204 I HN 0.602 nan 8.210 nan 0.000 0.434 205 S N 7.942 123.763 115.700 0.202 0.000 2.667 205 S HA 0.457 4.928 4.470 0.000 0.000 0.304 205 S C -1.889 172.810 174.600 0.165 0.000 1.135 205 S CA -1.455 56.850 58.200 0.174 0.000 1.125 205 S CB 1.053 64.372 63.200 0.199 0.000 0.996 205 S HN 0.430 nan 8.310 nan 0.000 0.474 206 P HA 0.146 nan 4.420 nan 0.000 0.235 206 P C -0.521 176.877 177.300 0.163 0.000 1.177 206 P CA 0.409 63.536 63.100 0.045 0.000 0.785 206 P CB -0.040 31.596 31.700 -0.106 0.000 0.885 207 N N -0.412 118.367 118.700 0.132 0.000 2.225 207 N HA 0.371 5.112 4.740 0.000 0.000 0.298 207 N C -1.177 174.391 175.510 0.096 0.000 1.076 207 N CA -0.550 52.564 53.050 0.107 0.000 0.792 207 N CB 1.146 39.670 38.487 0.062 0.000 1.498 207 N HN -0.177 nan 8.380 nan 0.000 0.474 208 N N 0.148 118.887 118.700 0.064 0.000 2.258 208 N HA 0.230 4.970 4.740 0.000 0.000 0.299 208 N C -1.259 174.303 175.510 0.086 0.000 1.047 208 N CA -0.487 52.613 53.050 0.082 0.000 0.814 208 N CB 1.127 39.669 38.487 0.091 0.000 1.413 208 N HN 0.492 nan 8.380 nan 0.000 0.478 209 E N 1.359 121.639 120.200 0.133 0.000 2.038 209 E HA -0.181 4.169 4.350 0.000 0.000 0.181 209 E C -1.634 175.135 176.600 0.281 0.000 1.383 209 E CA 0.061 56.584 56.400 0.206 0.000 0.677 209 E CB -0.486 29.480 29.700 0.443 0.000 1.051 209 E HN 0.613 nan 8.360 nan 0.000 0.317 210 P HA -0.207 nan 4.420 nan 0.000 0.231 210 P C 0.826 178.074 177.300 -0.086 0.000 1.158 210 P CA 1.075 64.167 63.100 -0.013 0.000 0.763 210 P CB 0.029 31.645 31.700 -0.140 0.000 0.805 211 N N 0.198 118.827 118.700 -0.118 0.000 2.331 211 N HA -0.066 4.674 4.740 0.000 0.000 0.180 211 N C 1.200 176.753 175.510 0.072 0.000 1.019 211 N CA 0.466 53.383 53.050 -0.221 0.000 0.881 211 N CB -1.142 36.760 38.487 -0.976 0.000 0.972 211 N HN -0.011 nan 8.380 nan 0.000 0.435 212 G N 0.551 109.416 108.800 0.108 0.000 2.554 212 G HA2 -0.033 3.928 3.960 0.000 0.000 0.238 212 G HA3 -0.033 3.928 3.960 0.000 0.000 0.238 212 G C -0.468 174.380 174.900 -0.086 0.000 1.259 212 G CA -0.400 44.573 45.100 -0.212 0.000 0.843 212 G HN 0.361 nan 8.290 nan 0.000 0.582 213 Q N 1.268 120.903 119.800 -0.275 0.000 2.810 213 Q HA 0.150 4.490 4.340 0.000 0.000 0.236 213 Q C 0.203 176.107 176.000 -0.160 0.000 1.278 213 Q CA -0.616 55.118 55.803 -0.114 0.000 1.065 213 Q CB 0.070 28.718 28.738 -0.149 0.000 1.364 213 Q HN 0.743 nan 8.270 nan 0.000 0.570 214 W N 0.684 122.071 121.300 0.147 0.000 2.519 214 W HA -0.153 4.507 4.660 0.001 0.000 0.266 214 W C 2.230 178.809 176.519 0.099 0.000 1.253 214 W CA 0.835 58.250 57.345 0.116 0.000 1.274 214 W CB 0.137 29.680 29.460 0.140 0.000 1.114 214 W HN 0.713 nan 8.180 nan 0.000 0.596 215 H N -0.781 118.411 119.070 0.203 0.000 2.545 215 H HA 0.123 4.679 4.556 0.000 0.000 0.282 215 H C 1.640 177.010 175.328 0.069 0.000 1.020 215 H CA 1.404 57.523 56.048 0.119 0.000 1.243 215 H CB -0.559 29.244 29.762 0.068 0.000 1.377 215 H HN 0.137 nan 8.280 nan 0.000 0.581 216 A N 0.483 123.062 122.820 -0.401 0.000 2.251 216 A HA 0.022 4.343 4.320 0.000 0.000 0.209 216 A C 0.663 178.188 177.584 -0.098 0.000 1.187 216 A CA -0.040 51.811 52.037 -0.309 0.000 0.823 216 A CB -0.159 18.628 19.000 -0.354 0.000 0.846 216 A HN 0.361 nan 8.150 nan 0.000 0.486 217 N N -0.006 118.708 118.700 0.024 0.000 2.448 217 N HA 0.206 4.946 4.740 0.000 0.000 0.279 217 N C 0.224 175.853 175.510 0.197 0.000 1.025 217 N CA 0.461 53.589 53.050 0.130 0.000 0.898 217 N CB 1.747 40.353 38.487 0.198 0.000 1.303 217 N HN 0.062 nan 8.380 nan 0.000 0.495 218 S N 2.624 118.423 115.700 0.165 0.000 2.559 218 S HA 0.079 4.549 4.470 0.000 0.000 0.226 218 S C 1.222 175.917 174.600 0.158 0.000 1.000 218 S CA -0.416 57.867 58.200 0.138 0.000 0.948 218 S CB -0.418 62.833 63.200 0.086 0.000 0.870 218 S HN 0.440 nan 8.310 nan 0.000 0.497 219 F N 2.654 122.625 119.950 0.035 0.000 2.451 219 F HA 0.306 4.833 4.527 0.001 0.000 0.299 219 F C 0.878 176.641 175.800 -0.061 0.000 1.101 219 F CA 0.777 58.768 58.000 -0.015 0.000 1.436 219 F CB 0.068 39.069 39.000 0.001 0.000 1.074 219 F HN 0.344 nan 8.300 nan 0.000 0.553 220 Q N -0.003 119.814 119.800 0.027 0.000 2.578 220 Q HA 0.149 4.489 4.340 0.000 0.000 0.284 220 Q C -1.194 174.864 176.000 0.096 0.000 0.960 220 Q CA -0.780 55.032 55.803 0.015 0.000 0.809 220 Q CB 1.675 30.591 28.738 0.296 0.000 1.462 220 Q HN 0.100 nan 8.270 nan 0.000 0.392 221 E N -0.268 119.974 120.200 0.070 0.000 2.373 221 E HA 0.540 4.890 4.350 0.000 0.000 0.267 221 E C -0.282 176.215 176.600 -0.172 0.000 1.032 221 E CA 0.313 56.709 56.400 -0.005 0.000 0.889 221 E CB 1.102 30.805 29.700 0.006 0.000 0.984 221 E HN 0.671 nan 8.360 nan 0.000 0.425 222 G N 0.454 109.116 108.800 -0.230 0.000 2.466 222 G HA2 0.413 4.373 3.960 0.000 0.000 0.291 222 G HA3 0.413 4.373 3.960 0.000 0.000 0.291 222 G C -1.500 173.231 174.900 -0.281 0.000 1.460 222 G CA -0.463 44.275 45.100 -0.602 0.000 0.791 222 G HN 0.381 nan 8.290 nan 0.000 0.505 223 S N -0.835 114.639 115.700 -0.378 0.000 2.563 223 S HA 0.541 5.011 4.470 0.000 0.000 0.279 223 S C -0.953 173.810 174.600 0.272 0.000 1.155 223 S CA -0.641 57.589 58.200 0.050 0.000 0.928 223 S CB 0.760 63.950 63.200 -0.015 0.000 1.107 223 S HN 1.424 nan 8.310 nan 0.000 0.462 224 F N 4.270 124.430 119.950 0.350 0.000 2.626 224 F HA 0.484 5.011 4.527 0.000 0.000 0.354 224 F C 0.282 176.157 175.800 0.125 0.000 1.168 224 F CA 1.256 59.404 58.000 0.246 0.000 1.368 224 F CB 0.408 39.519 39.000 0.186 0.000 1.092 224 F HN 0.781 nan 8.300 nan 0.000 0.612 225 A N 2.932 125.274 122.820 -0.797 0.000 2.589 225 A HA 0.585 4.905 4.320 0.000 0.000 0.296 225 A C -0.511 176.533 177.584 -0.901 0.000 1.062 225 A CA -0.226 51.445 52.037 -0.609 0.000 0.686 225 A CB 0.811 19.682 19.000 -0.215 0.000 1.282 225 A HN 0.960 nan 8.150 nan 0.000 0.404 226 T N -0.889 113.368 114.554 -0.494 0.000 2.881 226 T HA 0.418 4.768 4.350 0.000 0.000 0.278 226 T C 0.895 175.440 174.700 -0.258 0.000 0.982 226 T CA -0.283 61.624 62.100 -0.322 0.000 0.989 226 T CB 0.971 69.767 68.868 -0.120 0.000 1.058 226 T HN 0.607 nan 8.240 nan 0.000 0.529 227 K N 0.517 120.748 120.400 -0.283 0.000 2.103 227 K HA -0.106 4.214 4.320 0.000 0.000 0.207 227 K C 2.563 178.753 176.600 -0.682 0.000 1.048 227 K CA 1.350 57.393 56.287 -0.406 0.000 0.930 227 K CB -0.654 31.618 32.500 -0.380 0.000 0.716 227 K HN 0.720 nan 8.250 nan 0.000 0.444 228 A N 2.156 124.499 122.820 -0.795 0.000 1.902 228 A HA -0.221 4.099 4.320 0.000 0.000 0.217 228 A C 1.660 179.152 177.584 -0.152 0.000 1.181 228 A CA 1.964 53.681 52.037 -0.534 0.000 0.623 228 A CB -0.411 18.445 19.000 -0.240 0.000 0.818 228 A HN 0.203 nan 8.150 nan 0.000 0.443 229 D N 0.193 120.552 120.400 -0.068 0.000 2.097 229 D HA -0.118 4.522 4.640 0.000 0.000 0.195 229 D C 1.969 178.360 176.300 0.152 0.000 0.989 229 D CA 1.185 55.273 54.000 0.146 0.000 0.827 229 D CB -0.471 40.426 40.800 0.163 0.000 0.966 229 D HN 0.463 nan 8.370 nan 0.000 0.456 230 L N -0.124 121.108 121.223 0.014 0.000 2.042 230 L HA -0.217 4.124 4.340 0.000 0.000 0.210 230 L C 2.531 179.409 176.870 0.015 0.000 1.076 230 L CA 1.108 55.957 54.840 0.015 0.000 0.749 230 L CB -0.589 41.453 42.059 -0.029 0.000 0.893 230 L HN 0.050 nan 8.230 nan 0.000 0.432 231 Y N 0.872 121.105 120.300 -0.111 0.000 2.097 231 Y HA -0.267 4.283 4.550 0.000 0.000 0.282 231 Y C 2.850 178.687 175.900 -0.104 0.000 1.152 231 Y CA 1.560 59.620 58.100 -0.067 0.000 1.136 231 Y CB -0.106 38.365 38.460 0.020 0.000 0.975 231 Y HN -0.038 nan 8.280 nan 0.000 0.498 232 R N -0.909 119.621 120.500 0.051 0.000 2.091 232 R HA -0.205 4.135 4.340 0.000 0.000 0.238 232 R C 2.163 178.438 176.300 -0.040 0.000 1.136 232 R CA 1.733 57.764 56.100 -0.116 0.000 0.959 232 R CB -0.388 29.592 30.300 -0.534 0.000 0.856 232 R HN 0.370 nan 8.270 nan 0.000 0.437 233 M N 0.234 119.915 119.600 0.134 0.000 2.080 233 M HA -0.136 4.344 4.480 0.000 0.000 0.260 233 M C 2.386 178.608 176.300 -0.129 0.000 1.068 233 M CA 1.479 56.843 55.300 0.107 0.000 1.109 233 M CB -0.816 31.863 32.600 0.132 0.000 1.342 233 M HN -0.039 nan 8.290 nan 0.000 0.405 234 V N 0.053 119.813 119.914 -0.257 0.000 2.343 234 V HA -0.271 3.850 4.120 0.000 0.000 0.247 234 V C 2.355 178.013 176.094 -0.727 0.000 1.051 234 V CA 2.151 64.195 62.300 -0.427 0.000 1.036 234 V CB -0.927 30.625 31.823 -0.451 0.000 0.654 234 V HN 0.548 nan 8.190 nan 0.000 0.451 235 E N -0.021 119.614 120.200 -0.941 0.000 2.051 235 E HA -0.249 4.101 4.350 0.000 0.000 0.192 235 E C 2.174 178.528 176.600 -0.410 0.000 0.991 235 E CA 1.405 57.217 56.400 -0.980 0.000 0.799 235 E CB -0.044 29.243 29.700 -0.689 0.000 0.748 235 E HN 0.547 nan 8.360 nan 0.000 0.449 236 E N 0.525 120.589 120.200 -0.228 0.000 2.107 236 E HA -0.108 4.242 4.350 0.000 0.000 0.191 236 E C 2.288 178.836 176.600 -0.086 0.000 0.982 236 E CA 0.524 56.877 56.400 -0.077 0.000 0.809 236 E CB -0.139 29.592 29.700 0.051 0.000 0.756 236 E HN 0.394 nan 8.360 nan 0.000 0.459 237 L N 0.746 121.886 121.223 -0.138 0.000 2.056 237 L HA -0.199 4.141 4.340 0.000 0.000 0.207 237 L C 2.344 179.147 176.870 -0.113 0.000 1.078 237 L CA 1.472 56.240 54.840 -0.121 0.000 0.749 237 L CB -0.312 41.666 42.059 -0.135 0.000 0.901 237 L HN 0.092 nan 8.230 nan 0.000 0.433 238 D N 0.172 120.465 120.400 -0.177 0.000 2.106 238 D HA -0.283 4.357 4.640 0.000 0.000 0.191 238 D C 2.205 178.483 176.300 -0.036 0.000 0.997 238 D CA 1.619 55.557 54.000 -0.102 0.000 0.834 238 D CB 0.067 40.791 40.800 -0.127 0.000 0.956 238 D HN 0.046 nan 8.370 nan 0.000 0.448 239 K N -0.322 120.053 120.400 -0.042 0.000 2.020 239 K HA -0.200 4.120 4.320 0.000 0.000 0.212 239 K C 2.105 178.706 176.600 0.001 0.000 1.050 239 K CA 1.462 57.748 56.287 -0.001 0.000 0.929 239 K CB -0.328 32.174 32.500 0.003 0.000 0.714 239 K HN 0.198 nan 8.250 nan 0.000 0.443 240 A N 1.142 123.957 122.820 -0.007 0.000 1.902 240 A HA -0.143 4.177 4.320 0.000 0.000 0.217 240 A C 2.105 179.687 177.584 -0.004 0.000 1.181 240 A CA 1.551 53.591 52.037 0.005 0.000 0.623 240 A CB -0.578 18.427 19.000 0.009 0.000 0.818 240 A HN 0.366 nan 8.150 nan 0.000 0.443 241 I N -0.342 120.217 120.570 -0.018 0.000 2.179 241 I HA -0.244 3.927 4.170 0.000 0.000 0.242 241 I C 2.730 178.839 176.117 -0.014 0.000 1.088 241 I CA 1.499 62.785 61.300 -0.022 0.000 1.357 241 I CB -0.343 37.638 38.000 -0.032 0.000 1.051 241 I HN 0.235 nan 8.210 nan 0.000 0.409 242 S N 0.165 115.863 115.700 -0.004 0.000 2.359 242 S HA -0.243 4.227 4.470 0.000 0.000 0.224 242 S C 1.900 176.501 174.600 0.002 0.000 1.035 242 S CA 1.474 59.675 58.200 0.002 0.000 1.018 242 S CB -0.303 62.906 63.200 0.015 0.000 0.876 242 S HN 0.420 nan 8.310 nan 0.000 0.448 243 E N 0.826 121.029 120.200 0.006 0.000 2.070 243 E HA -0.174 4.176 4.350 0.000 0.000 0.197 243 E C 2.153 178.753 176.600 -0.000 0.000 1.004 243 E CA 1.278 57.682 56.400 0.007 0.000 0.805 243 E CB -0.212 29.497 29.700 0.015 0.000 0.744 243 E HN 0.524 nan 8.360 nan 0.000 0.451 244 A N -0.053 122.764 122.820 -0.005 0.000 2.067 244 A HA -0.103 4.217 4.320 0.000 0.000 0.217 244 A C 0.632 178.203 177.584 -0.022 0.000 1.156 244 A CA 0.629 52.658 52.037 -0.014 0.000 0.683 244 A CB -0.033 18.957 19.000 -0.017 0.000 0.808 244 A HN 0.293 nan 8.150 nan 0.000 0.455 245 Q N -0.995 118.792 119.800 -0.021 0.000 2.463 245 Q HA -0.183 4.157 4.340 0.000 0.000 0.299 245 Q C -0.363 175.615 176.000 -0.037 0.000 1.353 245 Q CA 0.792 56.580 55.803 -0.026 0.000 0.828 245 Q CB -1.897 26.827 28.738 -0.023 0.000 1.157 245 Q HN 0.915 nan 8.270 nan 0.000 0.436 246 I N -3.507 117.038 120.570 -0.042 0.000 2.498 246 I HA 0.502 4.672 4.170 0.000 0.000 0.301 246 I C 0.266 176.342 176.117 -0.069 0.000 0.984 246 I CA -0.812 60.455 61.300 -0.056 0.000 1.204 246 I CB 1.454 39.419 38.000 -0.059 0.000 1.362 246 I HN -0.183 nan 8.210 nan 0.000 0.471 247 D N 4.019 124.368 120.400 -0.085 0.000 2.631 247 D HA 0.310 4.951 4.640 0.000 0.000 0.227 247 D C -0.931 175.273 176.300 -0.161 0.000 1.146 247 D CA 0.151 54.084 54.000 -0.110 0.000 1.009 247 D CB 0.106 40.839 40.800 -0.112 0.000 1.057 247 D HN 0.716 nan 8.370 nan 0.000 0.509 248 T N 1.395 115.856 114.554 -0.155 0.000 2.933 248 T HA 0.432 4.782 4.350 0.000 0.000 0.305 248 T C -0.209 174.394 174.700 -0.161 0.000 1.092 248 T CA -0.856 61.123 62.100 -0.202 0.000 1.008 248 T CB 2.237 71.013 68.868 -0.154 0.000 1.102 248 T HN -0.007 nan 8.240 nan 0.000 0.469 249 K N 1.368 121.648 120.400 -0.200 0.000 2.352 249 K HA 0.710 5.030 4.320 0.000 0.000 0.240 249 K C -0.871 175.753 176.600 0.040 0.000 1.017 249 K CA -0.987 55.261 56.287 -0.064 0.000 0.851 249 K CB 2.080 34.553 32.500 -0.044 0.000 1.261 249 K HN 0.423 nan 8.250 nan 0.000 0.451 250 I N 2.076 122.707 120.570 0.103 0.000 2.354 250 I HA 0.260 4.430 4.170 0.000 0.000 0.292 250 I C -0.939 175.285 176.117 0.178 0.000 0.989 250 I CA -0.843 60.518 61.300 0.101 0.000 1.188 250 I CB 1.171 39.183 38.000 0.020 0.000 1.342 250 I HN 0.234 nan 8.210 nan 0.000 0.457 251 L N 8.819 130.139 121.223 0.163 0.000 2.325 251 L HA 0.716 5.056 4.340 0.000 0.000 0.281 251 L C -0.516 176.411 176.870 0.094 0.000 1.004 251 L CA -0.236 54.685 54.840 0.136 0.000 0.823 251 L CB 1.089 43.214 42.059 0.110 0.000 1.236 251 L HN 0.592 nan 8.230 nan 0.000 0.415 252 I N 2.221 122.855 120.570 0.107 0.000 3.322 252 I HA 0.715 4.885 4.170 0.000 0.000 0.313 252 I C -2.230 173.951 176.117 0.107 0.000 1.129 252 I CA -1.831 59.536 61.300 0.112 0.000 0.963 252 I CB 2.323 40.402 38.000 0.131 0.000 1.273 252 I HN 0.381 nan 8.210 nan 0.000 0.473 253 P HA 0.119 nan 4.420 nan 0.000 0.267 253 P C -0.367 176.921 177.300 -0.020 0.000 1.289 253 P CA 0.310 63.439 63.100 0.050 0.000 0.866 253 P CB 0.210 31.949 31.700 0.065 0.000 1.309 254 E N -0.672 119.494 120.200 -0.057 0.000 2.586 254 E HA -0.133 4.217 4.350 0.000 0.000 0.259 254 E C 0.510 176.818 176.600 -0.486 0.000 1.107 254 E CA 0.663 56.964 56.400 -0.164 0.000 0.754 254 E CB -2.446 27.283 29.700 0.048 0.000 1.335 254 E HN 0.343 nan 8.360 nan 0.000 0.411 255 V N -2.570 117.162 119.914 -0.303 0.000 2.763 255 V HA 0.337 4.457 4.120 0.000 0.000 0.306 255 V C 1.666 177.567 176.094 -0.322 0.000 1.059 255 V CA 0.833 62.998 62.300 -0.227 0.000 1.138 255 V CB 1.586 33.384 31.823 -0.042 0.000 0.940 255 V HN 0.170 nan 8.190 nan 0.000 0.489 256 G N 1.870 110.620 108.800 -0.083 0.000 2.880 256 G HA2 0.123 4.083 3.960 0.000 0.000 0.209 256 G HA3 0.123 4.083 3.960 0.000 0.000 0.209 256 G C 0.229 175.384 174.900 0.426 0.000 1.157 256 G CA 0.583 45.799 45.100 0.193 0.000 0.779 256 G HN 0.873 nan 8.290 nan 0.000 0.539 257 D N -0.821 119.820 120.400 0.403 0.000 2.936 257 D HA 0.257 4.897 4.640 0.000 0.000 0.238 257 D C 1.205 177.733 176.300 0.379 0.000 1.248 257 D CA -0.619 53.674 54.000 0.488 0.000 0.903 257 D CB 1.586 42.746 40.800 0.600 0.000 1.544 257 D HN -0.113 nan 8.370 nan 0.000 0.543 258 M N 2.440 122.204 119.600 0.274 0.000 2.346 258 M HA -0.166 4.314 4.480 0.000 0.000 0.263 258 M C 1.970 178.355 176.300 0.142 0.000 1.064 258 M CA 1.258 56.667 55.300 0.182 0.000 1.083 258 M CB 0.029 32.737 32.600 0.181 0.000 1.399 258 M HN 0.413 nan 8.290 nan 0.000 0.435 259 K N -0.438 120.070 120.400 0.180 0.000 2.281 259 K HA -0.192 4.128 4.320 0.000 0.000 0.203 259 K C 1.002 177.577 176.600 -0.041 0.000 1.046 259 K CA 1.514 57.873 56.287 0.121 0.000 0.938 259 K CB -0.554 31.927 32.500 -0.032 0.000 0.737 259 K HN 0.326 nan 8.250 nan 0.000 0.458 260 Y N 1.387 121.725 120.300 0.064 0.000 2.583 260 Y HA 0.109 4.659 4.550 0.000 0.000 0.293 260 Y C 1.656 177.505 175.900 -0.085 0.000 1.157 260 Y CA 0.321 58.438 58.100 0.027 0.000 1.315 260 Y CB 0.000 38.486 38.460 0.044 0.000 1.021 260 Y HN -0.044 nan 8.280 nan 0.000 0.536 261 L N -1.116 119.978 121.223 -0.216 0.000 2.465 261 L HA -0.027 4.313 4.340 0.000 0.000 0.224 261 L C -0.462 176.004 176.870 -0.673 0.000 1.145 261 L CA 0.430 54.954 54.840 -0.526 0.000 0.834 261 L CB -0.251 41.315 42.059 -0.822 0.000 0.944 261 L HN 0.025 nan 8.230 nan 0.000 0.451 262 F N -1.686 118.317 119.950 0.087 0.000 2.611 262 F HA 0.383 4.910 4.527 0.000 0.000 0.324 262 F C 0.424 176.262 175.800 0.064 0.000 1.061 262 F CA -1.508 56.541 58.000 0.081 0.000 0.954 262 F CB 0.784 39.810 39.000 0.043 0.000 1.301 262 F HN -0.282 nan 8.300 nan 0.000 0.482 263 E N 1.381 121.734 120.200 0.255 0.000 2.316 263 E HA 0.363 4.714 4.350 0.000 0.000 0.275 263 E C 0.167 176.829 176.600 0.103 0.000 1.029 263 E CA 0.103 56.591 56.400 0.146 0.000 0.871 263 E CB 0.612 30.374 29.700 0.103 0.000 1.022 263 E HN 0.753 nan 8.360 nan 0.000 0.418 264 I N -0.004 120.608 120.570 0.070 0.000 5.061 264 I HA 0.318 4.489 4.170 0.000 0.000 0.336 264 I C -0.768 175.368 176.117 0.031 0.000 1.247 264 I CA -0.565 60.752 61.300 0.028 0.000 1.418 264 I CB 0.731 38.708 38.000 -0.038 0.000 1.467 264 I HN 0.312 nan 8.210 nan 0.000 0.510 265 D N 0.322 120.757 120.400 0.059 0.000 2.661 265 D HA 0.349 4.989 4.640 0.000 0.000 0.228 265 D C -0.090 176.253 176.300 0.071 0.000 1.210 265 D CA -0.592 53.445 54.000 0.061 0.000 0.826 265 D CB 1.739 42.581 40.800 0.070 0.000 1.542 265 D HN -0.108 nan 8.370 nan 0.000 0.447 266 S N 0.006 115.740 115.700 0.057 0.000 2.522 266 S HA 0.113 4.583 4.470 0.000 0.000 0.227 266 S C 1.039 175.680 174.600 0.067 0.000 0.986 266 S CA -0.235 57.998 58.200 0.055 0.000 0.929 266 S CB -0.620 62.602 63.200 0.038 0.000 0.769 266 S HN 0.493 nan 8.310 nan 0.000 0.529 267 I N 2.507 123.123 120.570 0.077 0.000 2.792 267 I HA -0.047 4.123 4.170 0.000 0.000 0.284 267 I C 1.580 177.765 176.117 0.114 0.000 1.166 267 I CA -0.481 60.871 61.300 0.087 0.000 1.375 267 I CB 0.164 38.219 38.000 0.092 0.000 1.421 267 I HN 0.125 nan 8.210 nan 0.000 0.544 268 A N 7.961 130.844 122.820 0.105 0.000 1.917 268 A HA -0.255 4.066 4.320 0.000 0.000 0.219 268 A C 2.349 180.024 177.584 0.151 0.000 1.182 268 A CA 2.142 54.251 52.037 0.121 0.000 0.633 268 A CB -0.456 18.607 19.000 0.104 0.000 0.819 268 A HN 0.891 nan 8.150 nan 0.000 0.448 269 K N -0.655 119.848 120.400 0.172 0.000 2.097 269 K HA -0.075 4.245 4.320 0.000 0.000 0.206 269 K C 0.152 176.935 176.600 0.304 0.000 1.049 269 K CA 1.389 57.824 56.287 0.247 0.000 0.933 269 K CB -1.046 31.638 32.500 0.307 0.000 0.717 269 K HN 0.266 nan 8.250 nan 0.000 0.442 270 T N 4.978 119.713 114.554 0.302 0.000 2.866 270 T HA 0.034 4.384 4.350 0.000 0.000 0.293 270 T C -2.199 172.613 174.700 0.187 0.000 1.005 270 T CA -0.889 61.398 62.100 0.312 0.000 1.162 270 T CB 0.936 69.981 68.868 0.295 0.000 0.968 270 T HN 0.263 nan 8.240 nan 0.000 0.530 271 P HA 0.121 nan 4.420 nan 0.000 0.228 271 P C -0.166 177.234 177.300 0.167 0.000 1.748 271 P CA -0.375 62.741 63.100 0.027 0.000 0.909 271 P CB -0.263 31.358 31.700 -0.132 0.000 1.882 272 D N -0.890 119.670 120.400 0.267 0.000 2.447 272 D HA 0.046 4.686 4.640 0.000 0.000 0.265 272 D C 0.396 176.816 176.300 0.200 0.000 1.250 272 D CA -0.406 53.779 54.000 0.308 0.000 1.046 272 D CB -0.309 40.649 40.800 0.263 0.000 1.095 272 D HN -0.124 nan 8.370 nan 0.000 0.555 273 D N -1.728 118.772 120.400 0.167 0.000 2.708 273 D HA -0.149 4.491 4.640 0.000 0.000 0.236 273 D C 0.817 177.219 176.300 0.170 0.000 1.146 273 D CA 0.242 54.343 54.000 0.168 0.000 0.662 273 D CB -0.774 40.131 40.800 0.174 0.000 1.059 273 D HN 0.368 nan 8.370 nan 0.000 0.428 274 I N -0.065 120.586 120.570 0.134 0.000 2.252 274 I HA -0.187 3.983 4.170 0.000 0.000 0.245 274 I C 2.617 178.903 176.117 0.282 0.000 1.102 274 I CA 0.717 62.136 61.300 0.198 0.000 1.385 274 I CB -0.727 37.379 38.000 0.177 0.000 1.064 274 I HN 0.337 nan 8.210 nan 0.000 0.414 275 I N 0.209 120.860 120.570 0.134 0.000 2.127 275 I HA -0.351 3.819 4.170 0.000 0.000 0.241 275 I C 2.770 179.010 176.117 0.205 0.000 1.075 275 I CA 1.527 62.907 61.300 0.133 0.000 1.334 275 I CB -0.500 37.450 38.000 -0.084 0.000 1.040 275 I HN 0.284 nan 8.210 nan 0.000 0.405 276 H N -1.051 118.113 119.070 0.157 0.000 2.372 276 H HA -0.047 4.509 4.556 0.000 0.000 0.301 276 H C 2.525 177.915 175.328 0.103 0.000 1.065 276 H CA 1.571 57.612 56.048 -0.011 0.000 1.364 276 H CB -0.116 29.528 29.762 -0.197 0.000 1.406 276 H HN 0.229 nan 8.280 nan 0.000 0.521 277 S N -0.204 115.643 115.700 0.245 0.000 2.406 277 S HA -0.027 4.443 4.470 0.000 0.000 0.228 277 S C 1.967 176.693 174.600 0.210 0.000 1.020 277 S CA 0.860 59.188 58.200 0.214 0.000 0.965 277 S CB 0.101 63.454 63.200 0.255 0.000 0.798 277 S HN 0.267 nan 8.310 nan 0.000 0.488 278 M N -1.509 118.208 119.600 0.196 0.000 2.638 278 M HA 0.304 4.785 4.480 0.000 0.000 0.256 278 M C 0.244 176.392 176.300 -0.253 0.000 1.282 278 M CA 0.457 55.753 55.300 -0.007 0.000 1.155 278 M CB 0.368 32.923 32.600 -0.075 0.000 1.345 278 M HN 0.240 nan 8.290 nan 0.000 0.523 279 F N -0.944 119.077 119.950 0.119 0.000 2.698 279 F HA 0.316 4.843 4.527 0.000 0.000 0.304 279 F C -0.172 175.658 175.800 0.049 0.000 1.108 279 F CA -0.517 57.506 58.000 0.038 0.000 1.263 279 F CB 0.205 39.200 39.000 -0.008 0.000 1.013 279 F HN -0.090 nan 8.300 nan 0.000 0.532 280 Y N 0.953 121.302 120.300 0.082 0.000 2.387 280 Y HA 0.198 4.748 4.550 0.000 0.000 0.336 280 Y C 1.546 177.462 175.900 0.028 0.000 1.067 280 Y CA -1.034 57.110 58.100 0.073 0.000 1.114 280 Y CB 1.360 39.904 38.460 0.140 0.000 1.208 280 Y HN -0.035 nan 8.280 nan 0.000 0.458 281 K N 0.353 120.823 120.400 0.116 0.000 2.442 281 K HA -0.123 4.198 4.320 0.000 0.000 0.198 281 K C -0.005 176.643 176.600 0.081 0.000 1.042 281 K CA 1.773 58.096 56.287 0.060 0.000 0.958 281 K CB 0.078 32.632 32.500 0.089 0.000 0.766 281 K HN 0.723 nan 8.250 nan 0.000 0.474 282 D N 0.203 120.686 120.400 0.138 0.000 2.395 282 D HA 0.081 4.721 4.640 0.000 0.000 0.213 282 D C 0.626 176.971 176.300 0.074 0.000 1.110 282 D CA -0.296 53.759 54.000 0.092 0.000 0.835 282 D CB -0.067 40.792 40.800 0.097 0.000 0.965 282 D HN 0.221 nan 8.370 nan 0.000 0.505 283 G N 0.888 109.756 108.800 0.114 0.000 2.484 283 G HA2 -0.049 3.912 3.960 0.000 0.000 0.235 283 G HA3 -0.049 3.912 3.960 0.000 0.000 0.235 283 G C 0.639 175.526 174.900 -0.021 0.000 1.282 283 G CA -0.299 44.852 45.100 0.085 0.000 0.857 283 G HN 0.176 nan 8.290 nan 0.000 0.571 284 Q N 0.586 120.323 119.800 -0.106 0.000 2.135 284 Q HA -0.152 4.189 4.340 0.000 0.000 0.204 284 Q C 0.416 176.072 176.000 -0.573 0.000 0.981 284 Q CA 1.474 57.053 55.803 -0.372 0.000 0.856 284 Q CB -0.072 28.361 28.738 -0.509 0.000 0.902 284 Q HN 0.732 nan 8.270 nan 0.000 0.425 285 Y N -0.293 120.004 120.300 -0.005 0.000 2.713 285 Y HA 0.291 4.841 4.550 0.000 0.000 0.269 285 Y C 0.035 176.040 175.900 0.175 0.000 1.106 285 Y CA -0.536 57.590 58.100 0.043 0.000 1.174 285 Y CB 0.543 39.047 38.460 0.075 0.000 1.186 285 Y HN -0.081 nan 8.280 nan 0.000 0.555 286 S N 1.119 116.920 115.700 0.169 0.000 2.715 286 S HA 0.009 4.480 4.470 0.000 0.000 0.318 286 S C 1.152 175.830 174.600 0.130 0.000 1.242 286 S CA 0.593 58.842 58.200 0.081 0.000 1.044 286 S CB 0.460 63.678 63.200 0.031 0.000 0.760 286 S HN 0.462 nan 8.310 nan 0.000 0.501 287 V N 4.371 124.253 119.914 -0.053 0.000 3.556 287 V HA 0.240 4.360 4.120 0.000 0.000 0.287 287 V C 1.665 177.728 176.094 -0.051 0.000 1.422 287 V CA 0.283 62.606 62.300 0.038 0.000 1.038 287 V CB -0.701 31.064 31.823 -0.096 0.000 0.850 287 V HN 0.809 nan 8.190 nan 0.000 0.437 288 L N 1.634 122.738 121.223 -0.198 0.000 2.129 288 L HA -0.207 4.133 4.340 0.000 0.000 0.212 288 L C 2.755 179.513 176.870 -0.188 0.000 1.087 288 L CA 2.569 57.259 54.840 -0.250 0.000 0.757 288 L CB -0.778 41.004 42.059 -0.461 0.000 0.896 288 L HN 0.538 nan 8.230 nan 0.000 0.434 289 K N 0.054 120.309 120.400 -0.241 0.000 2.209 289 K HA -0.128 4.193 4.320 0.000 0.000 0.204 289 K C 0.315 176.702 176.600 -0.355 0.000 1.048 289 K CA 0.744 56.841 56.287 -0.316 0.000 0.940 289 K CB -0.454 31.789 32.500 -0.428 0.000 0.729 289 K HN 0.002 nan 8.250 nan 0.000 0.451 290 F N 2.800 122.705 119.950 -0.075 0.000 2.467 290 F HA 0.145 4.673 4.527 0.000 0.000 0.362 290 F C 1.678 177.456 175.800 -0.037 0.000 1.090 290 F CA -0.586 57.373 58.000 -0.069 0.000 1.202 290 F CB 1.157 40.089 39.000 -0.114 0.000 1.113 290 F HN -0.059 nan 8.300 nan 0.000 0.541 291 K N 2.203 122.694 120.400 0.152 0.000 2.148 291 K HA -0.133 4.187 4.320 0.000 0.000 0.204 291 K C 0.761 177.412 176.600 0.085 0.000 1.050 291 K CA 1.401 57.741 56.287 0.089 0.000 0.942 291 K CB 0.069 32.608 32.500 0.066 0.000 0.724 291 K HN 0.583 nan 8.250 nan 0.000 0.446 292 N N 1.128 119.883 118.700 0.091 0.000 2.235 292 N HA 0.015 4.755 4.740 0.000 0.000 0.209 292 N C -0.159 175.392 175.510 0.068 0.000 1.122 292 N CA -0.104 52.978 53.050 0.052 0.000 0.845 292 N CB 0.355 38.850 38.487 0.015 0.000 1.004 292 N HN 0.134 nan 8.380 nan 0.000 0.499 293 L N 1.294 122.580 121.223 0.105 0.000 2.416 293 L HA 0.173 4.513 4.340 0.000 0.000 0.272 293 L C -0.199 176.786 176.870 0.191 0.000 1.161 293 L CA -0.274 54.639 54.840 0.121 0.000 0.845 293 L CB 0.252 42.377 42.059 0.112 0.000 1.119 293 L HN -0.092 nan 8.230 nan 0.000 0.464 294 F N 5.205 125.167 119.950 0.020 0.000 2.434 294 F HA 0.231 4.759 4.527 0.000 0.000 0.358 294 F C 0.606 176.407 175.800 0.002 0.000 1.136 294 F CA -1.003 56.995 58.000 -0.002 0.000 1.157 294 F CB -0.362 38.620 39.000 -0.030 0.000 1.167 294 F HN 0.637 nan 8.300 nan 0.000 0.539 295 N N 6.039 124.723 118.700 -0.026 0.000 2.736 295 N HA 0.039 4.779 4.740 0.000 0.000 0.307 295 N C -1.164 174.051 175.510 -0.491 0.000 1.212 295 N CA 0.440 53.412 53.050 -0.129 0.000 1.158 295 N CB -0.631 37.866 38.487 0.017 0.000 1.460 295 N HN 0.611 nan 8.380 nan 0.000 0.514 296 C N 1.500 120.432 119.300 -0.614 0.000 3.283 296 C HA 0.504 4.964 4.460 0.000 0.000 0.359 296 C C -1.300 173.251 174.990 -0.731 0.000 1.160 296 C CA -0.726 57.743 59.018 -0.915 0.000 1.232 296 C CB 0.613 27.164 27.740 -1.983 0.000 1.571 296 C HN 0.172 nan 8.230 nan 0.000 0.522 297 V N 3.985 123.478 119.914 -0.701 0.000 2.459 297 V HA 0.833 4.954 4.120 0.000 0.000 0.295 297 V C 0.480 176.312 176.094 -0.437 0.000 1.029 297 V CA 0.012 61.909 62.300 -0.671 0.000 0.874 297 V CB 1.617 33.051 31.823 -0.649 0.000 0.985 297 V HN 1.224 nan 8.190 nan 0.000 0.438 298 A N 3.883 126.521 122.820 -0.303 0.000 2.318 298 A HA 0.981 5.302 4.320 0.000 0.000 0.317 298 A C -0.179 177.321 177.584 -0.140 0.000 1.159 298 A CA -0.090 51.799 52.037 -0.247 0.000 0.799 298 A CB 1.325 20.263 19.000 -0.104 0.000 1.194 298 A HN 1.417 nan 8.150 nan 0.000 0.479 299 A N 2.189 124.929 122.820 -0.133 0.000 2.566 299 A HA 0.795 5.115 4.320 0.000 0.000 0.292 299 A C -0.922 176.733 177.584 0.119 0.000 1.112 299 A CA -0.655 51.383 52.037 0.001 0.000 0.707 299 A CB 0.890 19.992 19.000 0.171 0.000 1.302 299 A HN 0.954 nan 8.150 nan 0.000 0.409 300 H N 0.248 119.322 119.070 0.006 0.000 2.472 300 H HA 0.266 4.822 4.556 0.000 0.000 0.338 300 H C -0.427 174.845 175.328 -0.092 0.000 1.133 300 H CA -0.955 55.028 56.048 -0.109 0.000 1.216 300 H CB 1.767 31.518 29.762 -0.017 0.000 1.497 300 H HN 0.676 nan 8.280 nan 0.000 0.500 301 D N 1.846 122.161 120.400 -0.143 0.000 2.392 301 D HA -0.104 4.537 4.640 0.000 0.000 0.228 301 D C -0.105 176.169 176.300 -0.044 0.000 1.003 301 D CA 0.848 54.769 54.000 -0.131 0.000 0.917 301 D CB 0.104 40.690 40.800 -0.356 0.000 0.890 301 D HN 0.403 nan 8.370 nan 0.000 0.532 302 Y N -0.225 120.160 120.300 0.140 0.000 2.712 302 Y HA -0.066 4.484 4.550 0.000 0.000 0.333 302 Y C 0.650 176.502 175.900 -0.080 0.000 1.225 302 Y CA -0.210 57.791 58.100 -0.164 0.000 1.499 302 Y CB -0.267 37.948 38.460 -0.409 0.000 1.288 302 Y HN 0.075 nan 8.280 nan 0.000 0.575 303 W N 0.141 121.693 121.300 0.419 0.000 4.141 303 W HA -0.288 4.373 4.660 0.000 0.000 0.336 303 W C 0.840 177.493 176.519 0.223 0.000 1.258 303 W CA 0.624 58.143 57.345 0.290 0.000 0.747 303 W CB -1.998 27.604 29.460 0.236 0.000 2.338 303 W HN 0.521 nan 8.180 nan 0.000 1.410 304 S N -2.309 113.568 115.700 0.295 0.000 2.993 304 S HA 0.610 5.081 4.470 0.000 0.000 0.257 304 S C 0.812 175.470 174.600 0.096 0.000 0.997 304 S CA 0.061 58.378 58.200 0.194 0.000 1.191 304 S CB 0.459 63.761 63.200 0.170 0.000 1.143 304 S HN 0.582 nan 8.310 nan 0.000 0.655 305 A N 0.607 123.489 122.820 0.104 0.000 2.308 305 A HA 0.600 4.920 4.320 0.000 0.000 0.217 305 A C 0.008 177.640 177.584 0.081 0.000 1.216 305 A CA -0.029 51.993 52.037 -0.025 0.000 0.864 305 A CB -0.120 18.784 19.000 -0.159 0.000 0.902 305 A HN 0.828 nan 8.150 nan 0.000 0.499 306 Y N -0.144 120.204 120.300 0.081 0.000 2.521 306 Y HA 0.455 5.005 4.550 0.000 0.000 0.328 306 Y C -2.816 173.167 175.900 0.137 0.000 1.151 306 Y CA -1.957 56.219 58.100 0.127 0.000 1.054 306 Y CB 1.669 40.293 38.460 0.274 0.000 1.338 306 Y HN 0.051 nan 8.280 nan 0.000 0.453 307 P HA 0.273 nan 4.420 nan 0.000 0.275 307 P C 0.145 177.251 177.300 -0.323 0.000 1.266 307 P CA 0.326 62.907 63.100 -0.865 0.000 0.793 307 P CB 0.996 32.263 31.700 -0.722 0.000 1.074 308 A N 0.533 123.192 122.820 -0.267 0.000 2.084 308 A HA -0.195 4.125 4.320 0.000 0.000 0.221 308 A C 2.031 179.544 177.584 -0.118 0.000 1.161 308 A CA 2.525 54.470 52.037 -0.154 0.000 0.653 308 A CB -1.889 17.035 19.000 -0.127 0.000 0.802 308 A HN 0.755 nan 8.150 nan 0.000 0.457 309 T N -2.740 111.743 114.554 -0.118 0.000 2.896 309 T HA -0.029 4.321 4.350 0.000 0.000 0.263 309 T C 1.756 176.417 174.700 -0.065 0.000 1.050 309 T CA 1.226 63.277 62.100 -0.081 0.000 1.140 309 T CB -0.370 68.454 68.868 -0.074 0.000 0.877 309 T HN 0.191 nan 8.240 nan 0.000 0.457 310 L N 0.968 122.153 121.223 -0.063 0.000 2.005 310 L HA 0.207 4.547 4.340 0.000 0.000 0.207 310 L C 2.377 179.236 176.870 -0.018 0.000 1.072 310 L CA 1.477 56.303 54.840 -0.023 0.000 0.744 310 L CB -1.220 40.846 42.059 0.012 0.000 0.895 310 L HN 0.313 nan 8.230 nan 0.000 0.433 311 L N -0.539 120.661 121.223 -0.037 0.000 1.997 311 L HA -0.274 4.066 4.340 0.000 0.000 0.227 311 L C 2.519 179.359 176.870 -0.050 0.000 1.087 311 L CA 2.894 57.702 54.840 -0.053 0.000 0.797 311 L CB -0.974 41.024 42.059 -0.101 0.000 0.902 311 L HN 0.362 nan 8.230 nan 0.000 0.441 312 V N -4.025 115.855 119.914 -0.056 0.000 2.535 312 V HA -0.089 4.031 4.120 0.000 0.000 0.246 312 V C 2.139 178.207 176.094 -0.044 0.000 1.045 312 V CA 1.529 63.800 62.300 -0.050 0.000 1.058 312 V CB -0.944 30.850 31.823 -0.048 0.000 0.689 312 V HN 0.411 nan 8.190 nan 0.000 0.461 313 D N 0.770 121.143 120.400 -0.045 0.000 2.092 313 D HA -0.143 4.498 4.640 0.000 0.000 0.193 313 D C 2.002 178.270 176.300 -0.054 0.000 0.994 313 D CA 2.171 56.140 54.000 -0.053 0.000 0.828 313 D CB -0.285 40.481 40.800 -0.057 0.000 0.963 313 D HN 0.542 nan 8.370 nan 0.000 0.450 314 I N 0.312 120.867 120.570 -0.025 0.000 2.286 314 I HA -0.236 3.934 4.170 0.000 0.000 0.248 314 I C 2.187 178.322 176.117 0.030 0.000 1.115 314 I CA 1.169 62.483 61.300 0.023 0.000 1.392 314 I CB 0.160 38.217 38.000 0.095 0.000 1.065 314 I HN -0.116 nan 8.210 nan 0.000 0.418 315 R N 0.333 120.825 120.500 -0.014 0.000 2.115 315 R HA -0.090 4.250 4.340 0.000 0.000 0.226 315 R C 2.054 178.323 176.300 -0.052 0.000 1.100 315 R CA 1.253 57.318 56.100 -0.058 0.000 0.980 315 R CB -0.346 29.917 30.300 -0.062 0.000 0.875 315 R HN 0.432 nan 8.270 nan 0.000 0.445 316 N N 0.695 119.376 118.700 -0.032 0.000 2.106 316 N HA -0.176 4.565 4.740 0.000 0.000 0.188 316 N C 1.698 177.214 175.510 0.011 0.000 1.029 316 N CA 1.082 54.129 53.050 -0.005 0.000 0.848 316 N CB -0.201 38.276 38.487 -0.018 0.000 1.007 316 N HN 0.189 nan 8.380 nan 0.000 0.423 317 R N 0.920 121.402 120.500 -0.029 0.000 2.091 317 R HA -0.030 4.310 4.340 0.000 0.000 0.238 317 R C 2.266 178.636 176.300 0.116 0.000 1.136 317 R CA 1.035 57.101 56.100 -0.056 0.000 0.959 317 R CB -0.270 29.839 30.300 -0.319 0.000 0.856 317 R HN 0.161 nan 8.270 nan 0.000 0.437 318 I N -0.587 120.089 120.570 0.177 0.000 2.151 318 I HA -0.323 3.847 4.170 0.000 0.000 0.243 318 I C 2.395 178.503 176.117 -0.015 0.000 1.080 318 I CA 1.814 63.145 61.300 0.052 0.000 1.339 318 I CB -0.421 37.374 38.000 -0.342 0.000 1.039 318 I HN 0.335 nan 8.210 nan 0.000 0.409 319 H N 1.081 120.088 119.070 -0.105 0.000 2.457 319 H HA -0.131 4.425 4.556 0.000 0.000 0.294 319 H C 2.147 177.469 175.328 -0.010 0.000 1.064 319 H CA 1.551 57.557 56.048 -0.070 0.000 1.330 319 H CB 0.069 29.786 29.762 -0.076 0.000 1.395 319 H HN 0.133 nan 8.280 nan 0.000 0.541 320 K N 0.230 120.595 120.400 -0.059 0.000 2.001 320 K HA -0.126 4.194 4.320 0.000 0.000 0.208 320 K C 1.714 178.306 176.600 -0.014 0.000 1.048 320 K CA 1.523 57.769 56.287 -0.070 0.000 0.932 320 K CB 0.153 32.647 32.500 -0.009 0.000 0.715 320 K HN 0.286 nan 8.250 nan 0.000 0.437 321 E N 0.975 121.221 120.200 0.076 0.000 2.106 321 E HA -0.165 4.185 4.350 0.000 0.000 0.192 321 E C 2.014 178.688 176.600 0.123 0.000 0.984 321 E CA 0.671 57.162 56.400 0.151 0.000 0.806 321 E CB -0.265 29.561 29.700 0.211 0.000 0.750 321 E HN 0.218 nan 8.360 nan 0.000 0.458 322 L N 1.286 122.519 121.223 0.018 0.000 2.068 322 L HA -0.067 4.273 4.340 0.000 0.000 0.204 322 L C 2.283 179.104 176.870 -0.081 0.000 1.076 322 L CA 1.805 56.627 54.840 -0.031 0.000 0.753 322 L CB -0.731 41.291 42.059 -0.062 0.000 0.910 322 L HN 0.077 nan 8.230 nan 0.000 0.439 323 S N -0.684 114.929 115.700 -0.145 0.000 2.469 323 S HA -0.048 4.422 4.470 0.000 0.000 0.238 323 S C 1.862 176.397 174.600 -0.107 0.000 0.998 323 S CA 0.662 58.769 58.200 -0.156 0.000 0.957 323 S CB -0.742 62.255 63.200 -0.339 0.000 0.764 323 S HN 0.409 nan 8.310 nan 0.000 0.514 324 A N 2.850 125.627 122.820 -0.071 0.000 2.238 324 A HA 0.064 4.384 4.320 0.000 0.000 0.208 324 A C 1.932 179.449 177.584 -0.111 0.000 1.177 324 A CA 0.711 52.741 52.037 -0.012 0.000 0.804 324 A CB -0.653 18.411 19.000 0.107 0.000 0.823 324 A HN 0.729 nan 8.150 nan 0.000 0.482 325 N N -0.123 118.381 118.700 -0.326 0.000 2.550 325 N HA 0.056 4.796 4.740 0.000 0.000 0.186 325 N C 1.144 176.470 175.510 -0.306 0.000 1.110 325 N CA 1.378 53.963 53.050 -0.775 0.000 0.912 325 N CB -0.544 37.443 38.487 -0.833 0.000 0.968 325 N HN 0.738 nan 8.380 nan 0.000 0.448 326 G N -0.568 108.148 108.800 -0.139 0.000 2.179 326 G HA2 -0.309 3.651 3.960 0.000 0.000 0.260 326 G HA3 -0.309 3.651 3.960 0.000 0.000 0.260 326 G C 0.474 175.307 174.900 -0.112 0.000 0.977 326 G CA 0.610 45.659 45.100 -0.086 0.000 0.641 326 G HN 0.611 nan 8.290 nan 0.000 0.533 327 H N -0.679 118.329 119.070 -0.104 0.000 2.893 327 H HA 0.305 4.861 4.556 0.000 0.000 0.270 327 H C 1.297 176.603 175.328 -0.037 0.000 1.095 327 H CA 0.383 56.394 56.048 -0.062 0.000 1.186 327 H CB 0.411 30.137 29.762 -0.060 0.000 1.562 327 H HN 0.339 nan 8.280 nan 0.000 0.536 328 N N 0.812 119.536 118.700 0.039 0.000 2.738 328 N HA -0.178 4.562 4.740 0.000 0.000 0.249 328 N C -1.174 174.362 175.510 0.042 0.000 1.047 328 N CA 0.953 54.025 53.050 0.037 0.000 0.707 328 N CB -1.324 37.181 38.487 0.030 0.000 0.937 328 N HN 0.196 nan 8.380 nan 0.000 0.545 329 T N 1.494 116.062 114.554 0.023 0.000 2.780 329 T HA 0.212 4.562 4.350 0.000 0.000 0.294 329 T C 0.733 175.397 174.700 -0.060 0.000 0.949 329 T CA -0.392 61.689 62.100 -0.032 0.000 1.074 329 T CB 0.875 69.717 68.868 -0.043 0.000 0.910 329 T HN 0.143 nan 8.240 nan 0.000 0.501 330 K N 1.751 122.070 120.400 -0.135 0.000 2.149 330 K HA 0.409 4.729 4.320 0.000 0.000 0.245 330 K C -0.589 175.974 176.600 -0.062 0.000 1.024 330 K CA -0.355 55.881 56.287 -0.084 0.000 0.899 330 K CB 0.481 32.900 32.500 -0.135 0.000 1.038 330 K HN 0.463 nan 8.250 nan 0.000 0.496 331 F N 0.838 120.747 119.950 -0.068 0.000 2.540 331 F HA 0.371 4.898 4.527 0.000 0.000 0.317 331 F C -1.748 174.166 175.800 0.191 0.000 1.104 331 F CA -0.751 57.220 58.000 -0.048 0.000 0.913 331 F CB 1.071 40.052 39.000 -0.030 0.000 1.170 331 F HN 0.363 nan 8.300 nan 0.000 0.450 332 W N 5.032 125.694 121.300 -1.062 0.000 2.600 332 W HA 0.685 5.345 4.660 0.000 0.000 0.325 332 W C -0.811 174.998 176.519 -1.184 0.000 1.034 332 W CA -1.761 55.082 57.345 -0.838 0.000 1.226 332 W CB 1.688 30.846 29.460 -0.503 0.000 1.379 332 W HN 0.784 nan 8.180 nan 0.000 0.466 333 A N 2.366 124.795 122.820 -0.651 0.000 2.376 333 A HA 0.442 4.762 4.320 0.000 0.000 0.298 333 A C 0.839 178.054 177.584 -0.616 0.000 1.271 333 A CA 0.036 51.748 52.037 -0.541 0.000 0.926 333 A CB 0.062 18.833 19.000 -0.383 0.000 1.141 333 A HN 0.583 nan 8.150 nan 0.000 0.539 334 S N 1.072 116.528 115.700 -0.407 0.000 2.539 334 S HA 0.322 4.792 4.470 0.000 0.000 0.221 334 S C 0.146 174.430 174.600 -0.526 0.000 0.987 334 S CA 0.084 58.073 58.200 -0.353 0.000 0.929 334 S CB 0.089 63.238 63.200 -0.084 0.000 0.832 334 S HN 0.811 nan 8.310 nan 0.000 0.492 335 E N -0.556 119.227 120.200 -0.695 0.000 2.748 335 E HA 0.369 4.720 4.350 0.000 0.000 0.320 335 E C -2.397 173.772 176.600 -0.719 0.000 0.996 335 E CA -0.529 55.430 56.400 -0.735 0.000 0.835 335 E CB 1.406 30.455 29.700 -1.085 0.000 1.265 335 E HN 0.267 nan 8.360 nan 0.000 0.420 336 Y N 3.502 123.391 120.300 -0.684 0.000 2.552 336 Y HA 0.633 5.183 4.550 0.000 0.000 0.337 336 Y C -1.377 174.535 175.900 0.020 0.000 1.094 336 Y CA -0.669 57.011 58.100 -0.700 0.000 1.028 336 Y CB 1.196 39.292 38.460 -0.605 0.000 1.321 336 Y HN 0.853 nan 8.280 nan 0.000 0.456 337 C N 3.891 122.769 119.300 -0.703 0.000 3.241 337 C HA 0.638 5.099 4.460 0.000 0.000 0.312 337 C C -0.760 173.744 174.990 -0.811 0.000 1.350 337 C CA -1.278 57.553 59.018 -0.313 0.000 1.415 337 C CB 0.881 28.775 27.740 0.258 0.000 1.770 337 C HN 0.783 nan 8.230 nan 0.000 0.466 338 I N 2.765 123.222 120.570 -0.188 0.000 2.691 338 I HA 0.025 4.195 4.170 0.000 0.000 0.288 338 I C 0.509 176.592 176.117 -0.057 0.000 1.143 338 I CA 0.503 61.784 61.300 -0.032 0.000 1.364 338 I CB -0.145 37.916 38.000 0.102 0.000 1.435 338 I HN 0.708 nan 8.210 nan 0.000 0.551 339 L N 6.034 127.200 121.223 -0.095 0.000 2.586 339 L HA 0.159 4.500 4.340 0.000 0.000 0.204 339 L C 1.429 178.283 176.870 -0.027 0.000 1.053 339 L CA 0.782 55.563 54.840 -0.098 0.000 0.856 339 L CB -0.202 41.695 42.059 -0.270 0.000 1.192 339 L HN 0.598 nan 8.230 nan 0.000 0.484 340 E N 1.377 121.550 120.200 -0.044 0.000 2.409 340 E HA 0.029 4.380 4.350 0.000 0.000 0.257 340 E C -0.818 175.836 176.600 0.090 0.000 1.150 340 E CA -0.078 56.409 56.400 0.145 0.000 0.942 340 E CB 0.616 30.446 29.700 0.217 0.000 0.979 340 E HN 0.159 nan 8.360 nan 0.000 0.447 341 K N 1.094 121.565 120.400 0.118 0.000 2.345 341 K HA 0.372 4.692 4.320 0.000 0.000 0.255 341 K C -0.802 175.772 176.600 -0.043 0.000 0.934 341 K CA -0.637 55.661 56.287 0.018 0.000 0.801 341 K CB 1.259 33.782 32.500 0.040 0.000 1.137 341 K HN 0.754 nan 8.250 nan 0.000 0.424 342 N N -0.693 117.917 118.700 -0.150 0.000 3.185 342 N HA -0.040 4.700 4.740 0.000 0.000 0.238 342 N C 0.043 175.430 175.510 -0.205 0.000 1.451 342 N CA -0.885 52.002 53.050 -0.272 0.000 0.888 342 N CB 0.515 38.559 38.487 -0.738 0.000 1.413 342 N HN 0.510 nan 8.380 nan 0.000 0.511 343 E N -0.718 119.387 120.200 -0.157 0.000 2.268 343 E HA -0.133 4.217 4.350 0.000 0.000 0.195 343 E C 0.364 176.950 176.600 -0.022 0.000 0.995 343 E CA 1.105 57.481 56.400 -0.041 0.000 0.836 343 E CB -0.236 29.486 29.700 0.037 0.000 0.763 343 E HN 0.710 nan 8.360 nan 0.000 0.491 344 E N 0.663 120.842 120.200 -0.035 0.000 2.285 344 E HA -0.032 4.318 4.350 0.000 0.000 0.194 344 E C 2.004 178.588 176.600 -0.026 0.000 0.997 344 E CA 1.252 57.680 56.400 0.048 0.000 0.845 344 E CB 0.010 29.851 29.700 0.235 0.000 0.782 344 E HN 0.653 nan 8.360 nan 0.000 0.491 345 I N -4.082 116.413 120.570 -0.125 0.000 4.916 345 I HA 0.152 4.322 4.170 0.000 0.000 0.335 345 I C 0.251 176.302 176.117 -0.110 0.000 1.274 345 I CA -0.290 60.912 61.300 -0.163 0.000 1.365 345 I CB 0.951 38.720 38.000 -0.386 0.000 1.395 345 I HN -0.309 nan 8.210 nan 0.000 0.485 346 T N 4.197 118.693 114.554 -0.097 0.000 2.749 346 T HA 0.671 5.021 4.350 0.000 0.000 0.295 346 T C -0.504 174.177 174.700 -0.032 0.000 0.936 346 T CA 0.131 62.197 62.100 -0.056 0.000 1.060 346 T CB 0.929 69.768 68.868 -0.048 0.000 0.904 346 T HN 0.340 nan 8.240 nan 0.000 0.500 347 M N 3.549 123.137 119.600 -0.019 0.000 2.689 347 M HA 0.233 4.713 4.480 0.000 0.000 0.274 347 M C -2.831 173.467 176.300 -0.004 0.000 0.962 347 M CA -1.302 53.992 55.300 -0.010 0.000 0.838 347 M CB 1.616 34.209 32.600 -0.011 0.000 1.784 347 M HN 0.318 nan 8.290 nan 0.000 0.568 348 P HA 0.189 nan 4.420 nan 0.000 0.266 348 P C -0.997 176.307 177.300 0.005 0.000 1.193 348 P CA -0.053 63.049 63.100 0.004 0.000 0.770 348 P CB 0.398 32.100 31.700 0.005 0.000 0.836 349 A N 2.372 125.197 122.820 0.008 0.000 2.546 349 A HA 0.451 4.772 4.320 0.000 0.000 0.243 349 A C 0.492 178.083 177.584 0.012 0.000 1.063 349 A CA 0.715 52.759 52.037 0.012 0.000 0.757 349 A CB -0.675 18.334 19.000 0.014 0.000 0.991 349 A HN 0.626 nan 8.150 nan 0.000 0.503 350 S N 1.494 117.203 115.700 0.015 0.000 2.567 350 S HA 0.627 5.097 4.470 0.000 0.000 0.270 350 S C -2.605 172.006 174.600 0.018 0.000 1.152 350 S CA -0.907 57.301 58.200 0.014 0.000 0.835 350 S CB 1.257 64.463 63.200 0.010 0.000 1.115 350 S HN 0.220 nan 8.310 nan 0.000 0.459 351 P HA -0.133 nan 4.420 nan 0.000 0.217 351 P C 0.873 178.186 177.300 0.020 0.000 1.148 351 P CA 1.600 64.712 63.100 0.020 0.000 0.834 351 P CB 0.045 31.753 31.700 0.013 0.000 0.783 352 E N -1.109 119.100 120.200 0.014 0.000 2.046 352 E HA -0.126 4.224 4.350 0.000 0.000 0.190 352 E C 2.154 178.763 176.600 0.015 0.000 0.982 352 E CA 0.775 57.181 56.400 0.010 0.000 0.800 352 E CB -0.666 29.036 29.700 0.004 0.000 0.756 352 E HN 0.110 nan 8.360 nan 0.000 0.449 353 R N 0.620 121.130 120.500 0.016 0.000 2.091 353 R HA -0.128 4.212 4.340 0.000 0.000 0.238 353 R C 2.109 178.431 176.300 0.036 0.000 1.136 353 R CA 1.706 57.817 56.100 0.018 0.000 0.959 353 R CB -0.307 30.000 30.300 0.012 0.000 0.856 353 R HN 0.134 nan 8.270 nan 0.000 0.437 354 S N 0.899 116.626 115.700 0.044 0.000 2.374 354 S HA -0.188 4.282 4.470 0.000 0.000 0.227 354 S C 1.793 176.445 174.600 0.086 0.000 1.037 354 S CA 1.465 59.705 58.200 0.066 0.000 1.024 354 S CB -0.260 62.979 63.200 0.066 0.000 0.861 354 S HN 0.323 nan 8.310 nan 0.000 0.456 355 I N 2.239 122.850 120.570 0.069 0.000 2.500 355 I HA -0.031 4.139 4.170 0.000 0.000 0.252 355 I C 1.499 177.660 176.117 0.073 0.000 1.142 355 I CA 0.866 62.210 61.300 0.074 0.000 1.451 355 I CB -0.409 37.619 38.000 0.046 0.000 1.093 355 I HN 0.070 nan 8.210 nan 0.000 0.430 356 N N 0.502 119.233 118.700 0.052 0.000 2.104 356 N HA -0.165 4.575 4.740 0.000 0.000 0.190 356 N C 1.879 177.470 175.510 0.135 0.000 1.024 356 N CA 1.565 54.648 53.050 0.055 0.000 0.853 356 N CB -0.467 38.036 38.487 0.027 0.000 1.008 356 N HN 0.347 nan 8.380 nan 0.000 0.424 357 L N -0.064 121.233 121.223 0.124 0.000 2.027 357 L HA -0.048 4.293 4.340 0.000 0.000 0.206 357 L C 2.441 179.469 176.870 0.262 0.000 1.074 357 L CA 1.367 56.310 54.840 0.172 0.000 0.745 357 L CB -0.995 41.141 42.059 0.128 0.000 0.898 357 L HN 0.220 nan 8.230 nan 0.000 0.433 358 G N 0.034 108.966 108.800 0.220 0.000 2.475 358 G HA2 -0.241 3.719 3.960 0.000 0.000 0.220 358 G HA3 -0.241 3.719 3.960 0.000 0.000 0.220 358 G C 1.607 176.650 174.900 0.239 0.000 1.125 358 G CA 0.851 46.093 45.100 0.236 0.000 0.755 358 G HN 0.242 nan 8.290 nan 0.000 0.565 359 L N -1.732 119.637 121.223 0.244 0.000 2.127 359 L HA 0.120 4.460 4.340 0.000 0.000 0.203 359 L C 2.472 179.595 176.870 0.423 0.000 1.080 359 L CA 0.596 55.614 54.840 0.295 0.000 0.768 359 L CB -0.471 41.705 42.059 0.195 0.000 0.924 359 L HN 0.216 nan 8.230 nan 0.000 0.444 360 Y N 0.462 120.940 120.300 0.296 0.000 2.151 360 Y HA -0.291 4.260 4.550 0.000 0.000 0.284 360 Y C 2.344 178.311 175.900 0.111 0.000 1.166 360 Y CA 1.858 60.111 58.100 0.255 0.000 1.163 360 Y CB -0.140 38.455 38.460 0.224 0.000 0.974 360 Y HN -0.136 nan 8.280 nan 0.000 0.511 361 V N -0.216 119.874 119.914 0.293 0.000 2.379 361 V HA -0.236 3.884 4.120 0.000 0.000 0.245 361 V C 2.593 178.571 176.094 -0.192 0.000 1.044 361 V CA 1.504 63.832 62.300 0.046 0.000 1.036 361 V CB -1.365 30.567 31.823 0.181 0.000 0.664 361 V HN 0.533 nan 8.190 nan 0.000 0.453 362 A N 0.152 122.955 122.820 -0.028 0.000 1.972 362 A HA -0.258 4.062 4.320 0.000 0.000 0.219 362 A C 2.378 179.929 177.584 -0.054 0.000 1.169 362 A CA 2.049 54.081 52.037 -0.008 0.000 0.635 362 A CB -0.559 18.553 19.000 0.187 0.000 0.810 362 A HN 0.498 nan 8.150 nan 0.000 0.446 363 R N -0.259 120.196 120.500 -0.076 0.000 2.081 363 R HA -0.082 4.258 4.340 0.000 0.000 0.235 363 R C 1.887 178.068 176.300 -0.199 0.000 1.131 363 R CA 1.754 57.758 56.100 -0.160 0.000 0.960 363 R CB -0.402 29.708 30.300 -0.317 0.000 0.856 363 R HN 0.547 nan 8.270 nan 0.000 0.436 364 I N 0.549 120.933 120.570 -0.311 0.000 2.179 364 I HA -0.314 3.857 4.170 0.000 0.000 0.242 364 I C 2.232 178.132 176.117 -0.363 0.000 1.088 364 I CA 1.369 62.475 61.300 -0.324 0.000 1.357 364 I CB -0.261 37.501 38.000 -0.397 0.000 1.051 364 I HN 0.208 nan 8.210 nan 0.000 0.409 365 I N 0.117 120.273 120.570 -0.689 0.000 2.099 365 I HA -0.393 3.777 4.170 0.000 0.000 0.239 365 I C 2.716 178.536 176.117 -0.494 0.000 1.066 365 I CA 2.033 62.758 61.300 -0.958 0.000 1.324 365 I CB -0.833 36.334 38.000 -1.389 0.000 1.037 365 I HN 0.309 nan 8.210 nan 0.000 0.401 366 H N 1.586 120.434 119.070 -0.369 0.000 2.289 366 H HA -0.225 4.331 4.556 0.000 0.000 0.294 366 H C 2.016 177.287 175.328 -0.095 0.000 1.095 366 H CA 2.330 58.315 56.048 -0.106 0.000 1.256 366 H CB -0.105 29.648 29.762 -0.014 0.000 1.359 366 H HN 0.269 nan 8.280 nan 0.000 0.487 367 N N -0.194 118.444 118.700 -0.103 0.000 2.409 367 N HA -0.104 4.636 4.740 0.000 0.000 0.179 367 N C 0.994 176.431 175.510 -0.121 0.000 1.032 367 N CA 0.937 53.922 53.050 -0.109 0.000 0.898 367 N CB 0.074 38.541 38.487 -0.034 0.000 0.971 367 N HN 0.508 nan 8.380 nan 0.000 0.441 368 D N 1.144 121.496 120.400 -0.080 0.000 2.123 368 D HA -0.017 4.623 4.640 0.000 0.000 0.200 368 D C 2.192 178.489 176.300 -0.005 0.000 0.976 368 D CA 0.438 54.457 54.000 0.032 0.000 0.831 368 D CB -0.011 40.907 40.800 0.198 0.000 0.974 368 D HN 0.210 nan 8.370 nan 0.000 0.469 369 L N 0.630 121.807 121.223 -0.077 0.000 2.027 369 L HA -0.131 4.209 4.340 0.000 0.000 0.206 369 L C 2.638 179.430 176.870 -0.130 0.000 1.074 369 L CA 1.648 56.462 54.840 -0.043 0.000 0.745 369 L CB -0.569 41.512 42.059 0.036 0.000 0.898 369 L HN 0.149 nan 8.230 nan 0.000 0.433 370 T N -3.222 111.164 114.554 -0.279 0.000 3.010 370 T HA 0.071 4.422 4.350 0.000 0.000 0.252 370 T C 1.748 176.250 174.700 -0.330 0.000 1.047 370 T CA 0.313 62.200 62.100 -0.355 0.000 1.140 370 T CB -0.129 68.446 68.868 -0.489 0.000 0.885 370 T HN 0.139 nan 8.240 nan 0.000 0.464 371 L N 0.649 121.721 121.223 -0.252 0.000 2.185 371 L HA 0.442 4.782 4.340 0.000 0.000 0.198 371 L C 3.137 179.878 176.870 -0.214 0.000 1.079 371 L CA 0.882 55.599 54.840 -0.205 0.000 0.780 371 L CB -0.628 41.358 42.059 -0.122 0.000 0.955 371 L HN 0.307 nan 8.230 nan 0.000 0.462 372 A N -0.973 121.754 122.820 -0.156 0.000 2.208 372 A HA -0.041 4.280 4.320 0.000 0.000 0.209 372 A C 0.771 178.296 177.584 -0.097 0.000 1.161 372 A CA 0.148 52.094 52.037 -0.152 0.000 0.782 372 A CB -0.441 18.430 19.000 -0.215 0.000 0.816 372 A HN 0.628 nan 8.150 nan 0.000 0.477 373 N N -1.102 117.509 118.700 -0.148 0.000 2.740 373 N HA -0.173 4.567 4.740 0.000 0.000 0.248 373 N C 0.229 175.797 175.510 0.097 0.000 1.062 373 N CA 0.478 53.463 53.050 -0.109 0.000 0.704 373 N CB -1.282 37.031 38.487 -0.289 0.000 0.968 373 N HN 0.702 nan 8.380 nan 0.000 0.547 374 A N 0.065 122.985 122.820 0.166 0.000 2.520 374 A HA 0.268 4.588 4.320 0.000 0.000 0.245 374 A C 1.313 178.957 177.584 0.100 0.000 1.072 374 A CA 0.329 52.512 52.037 0.244 0.000 0.761 374 A CB 0.411 19.557 19.000 0.244 0.000 1.004 374 A HN 0.319 nan 8.150 nan 0.000 0.499 375 S N 0.743 116.529 115.700 0.143 0.000 2.527 375 S HA 0.360 4.830 4.470 0.000 0.000 0.222 375 S C 0.736 175.176 174.600 -0.267 0.000 0.985 375 S CA 0.863 59.116 58.200 0.089 0.000 0.921 375 S CB -0.144 63.261 63.200 0.342 0.000 0.772 375 S HN 1.259 nan 8.310 nan 0.000 0.529 376 A N 0.067 122.567 122.820 -0.534 0.000 2.574 376 A HA 0.664 4.984 4.320 0.000 0.000 0.297 376 A C -2.163 175.021 177.584 -0.667 0.000 1.062 376 A CA -0.587 50.865 52.037 -0.975 0.000 0.686 376 A CB 0.984 18.815 19.000 -1.949 0.000 1.285 376 A HN 0.373 nan 8.150 nan 0.000 0.403 377 W N 1.324 122.120 121.300 -0.840 0.000 2.683 377 W HA 0.625 5.286 4.660 0.000 0.000 0.329 377 W C -0.861 175.428 176.519 -0.383 0.000 1.037 377 W CA 0.054 57.090 57.345 -0.515 0.000 1.232 377 W CB 1.839 31.090 29.460 -0.348 0.000 1.390 377 W HN 0.692 nan 8.180 nan 0.000 0.465 378 Q N 4.666 123.870 119.800 -0.993 0.000 2.292 378 Q HA 0.209 4.550 4.340 0.000 0.000 0.270 378 Q C -0.918 174.599 176.000 -0.804 0.000 1.024 378 Q CA -0.827 54.588 55.803 -0.646 0.000 0.768 378 Q CB 2.059 30.492 28.738 -0.508 0.000 1.250 378 Q HN 0.468 nan 8.270 nan 0.000 0.447 379 W N 2.197 123.291 121.300 -0.343 0.000 2.093 379 W HA 0.115 4.775 4.660 0.000 0.000 0.352 379 W C 1.078 177.496 176.519 -0.169 0.000 1.294 379 W CA -0.399 56.833 57.345 -0.189 0.000 1.290 379 W CB 0.576 30.063 29.460 0.045 0.000 1.149 379 W HN 0.647 nan 8.180 nan 0.000 0.606 380 W N 0.868 122.216 121.300 0.079 0.000 1.645 380 W HA 0.060 4.721 4.660 0.000 0.000 0.602 380 W C 0.425 176.870 176.519 -0.123 0.000 1.821 380 W CA 0.238 57.518 57.345 -0.109 0.000 2.025 380 W CB -0.320 29.104 29.460 -0.060 0.000 2.869 380 W HN 0.230 nan 8.180 nan 0.000 0.806 381 T N 0.586 114.465 114.554 -1.125 0.000 2.908 381 T HA 0.243 4.593 4.350 0.000 0.000 0.301 381 T C 0.769 175.161 174.700 -0.513 0.000 1.019 381 T CA 0.220 61.707 62.100 -1.021 0.000 1.152 381 T CB 1.202 69.363 68.868 -1.178 0.000 0.966 381 T HN 0.473 nan 8.240 nan 0.000 0.540 382 A N 3.519 126.109 122.820 -0.384 0.000 1.972 382 A HA 0.273 4.594 4.320 0.000 0.000 0.219 382 A C 1.327 178.708 177.584 -0.339 0.000 1.169 382 A CA 1.131 52.995 52.037 -0.288 0.000 0.635 382 A CB -0.678 18.299 19.000 -0.038 0.000 0.810 382 A HN 1.341 nan 8.150 nan 0.000 0.446 383 V N -3.764 115.960 119.914 -0.317 0.000 2.815 383 V HA 0.842 4.962 4.120 0.000 0.000 0.314 383 V C -0.402 175.539 176.094 -0.254 0.000 1.064 383 V CA -0.077 62.062 62.300 -0.268 0.000 0.952 383 V CB 1.552 33.230 31.823 -0.242 0.000 1.020 383 V HN 0.453 nan 8.190 nan 0.000 0.439 384 S N 1.624 117.208 115.700 -0.194 0.000 2.588 384 S HA 0.613 5.083 4.470 0.000 0.000 0.269 384 S C -0.216 174.312 174.600 -0.119 0.000 1.157 384 S CA -0.529 57.577 58.200 -0.157 0.000 0.824 384 S CB 1.733 64.864 63.200 -0.115 0.000 1.126 384 S HN 0.740 nan 8.310 nan 0.000 0.464 385 L N 2.327 123.477 121.223 -0.122 0.000 2.341 385 L HA 0.366 4.706 4.340 0.000 0.000 0.214 385 L C 1.575 178.423 176.870 -0.036 0.000 1.115 385 L CA 1.525 56.317 54.840 -0.080 0.000 0.820 385 L CB -0.821 41.168 42.059 -0.116 0.000 0.944 385 L HN 0.729 nan 8.230 nan 0.000 0.452 386 G N -1.561 107.220 108.800 -0.032 0.000 2.511 386 G HA2 0.260 4.221 3.960 0.000 0.000 0.316 386 G HA3 0.260 4.221 3.960 0.000 0.000 0.316 386 G C -0.447 174.444 174.900 -0.016 0.000 1.210 386 G CA -0.444 44.649 45.100 -0.012 0.000 0.969 386 G HN 0.064 nan 8.290 nan 0.000 0.492 387 E N 0.299 120.497 120.200 -0.003 0.000 1.979 387 E HA 0.155 4.505 4.350 0.000 0.000 0.285 387 E C -0.394 176.213 176.600 0.012 0.000 1.188 387 E CA -0.223 56.176 56.400 -0.002 0.000 1.214 387 E CB 0.094 29.803 29.700 0.014 0.000 1.210 387 E HN 0.523 nan 8.360 nan 0.000 0.477 388 D N 0.954 121.352 120.400 -0.003 0.000 2.538 388 D HA 0.056 4.697 4.640 0.000 0.000 0.241 388 D C 0.123 176.441 176.300 0.029 0.000 1.297 388 D CA -0.155 53.872 54.000 0.046 0.000 0.804 388 D CB 0.246 41.078 40.800 0.054 0.000 1.122 388 D HN 0.113 nan 8.370 nan 0.000 0.519 389 V N -5.172 114.634 119.914 -0.180 0.000 3.253 389 V HA 0.528 4.648 4.120 0.000 0.000 0.300 389 V C -2.310 173.363 176.094 -0.703 0.000 1.398 389 V CA -1.900 60.021 62.300 -0.632 0.000 1.067 389 V CB 1.499 33.031 31.823 -0.485 0.000 1.102 389 V HN -0.390 nan 8.190 nan 0.000 0.455 390 P HA 0.005 nan 4.420 nan 0.000 0.217 390 P C 0.253 177.312 177.300 -0.402 0.000 1.151 390 P CA 1.680 64.384 63.100 -0.660 0.000 0.849 390 P CB 0.024 31.296 31.700 -0.712 0.000 0.787 391 I N -1.331 119.033 120.570 -0.344 0.000 2.499 391 I HA 0.260 4.430 4.170 0.000 0.000 0.288 391 I C -0.043 175.983 176.117 -0.150 0.000 1.048 391 I CA -0.928 60.244 61.300 -0.214 0.000 1.062 391 I CB 2.286 40.166 38.000 -0.201 0.000 1.238 391 I HN -0.196 nan 8.210 nan 0.000 0.426 392 Q N 5.174 124.927 119.800 -0.078 0.000 2.241 392 Q HA 0.477 4.817 4.340 0.000 0.000 0.254 392 Q C -1.549 174.460 176.000 0.015 0.000 0.917 392 Q CA -0.847 54.933 55.803 -0.038 0.000 0.919 392 Q CB 1.614 30.344 28.738 -0.013 0.000 1.237 392 Q HN 0.423 nan 8.270 nan 0.000 0.434 393 L N 5.000 126.241 121.223 0.030 0.000 2.272 393 L HA 0.419 4.760 4.340 0.000 0.000 0.289 393 L C -0.795 176.151 176.870 0.128 0.000 1.032 393 L CA -0.033 54.889 54.840 0.138 0.000 0.810 393 L CB 1.181 43.334 42.059 0.156 0.000 1.205 393 L HN 0.623 nan 8.230 nan 0.000 0.422 394 L N 6.114 127.422 121.223 0.142 0.000 2.296 394 L HA 0.496 4.836 4.340 0.000 0.000 0.286 394 L C -2.091 174.830 176.870 0.085 0.000 1.023 394 L CA -1.874 53.022 54.840 0.093 0.000 0.812 394 L CB 1.466 43.565 42.059 0.067 0.000 1.223 394 L HN 0.389 nan 8.230 nan 0.000 0.421 395 P HA 0.077 nan 4.420 nan 0.000 0.268 395 P C -0.258 177.053 177.300 0.018 0.000 1.204 395 P CA -0.141 62.989 63.100 0.051 0.000 0.768 395 P CB 0.396 32.131 31.700 0.057 0.000 0.842 396 L N 1.920 123.134 121.223 -0.016 0.000 2.492 396 L HA -0.009 4.331 4.340 0.000 0.000 0.280 396 L C 1.429 178.296 176.870 -0.006 0.000 1.240 396 L CA -0.053 54.772 54.840 -0.024 0.000 0.831 396 L CB -0.291 41.735 42.059 -0.055 0.000 1.100 396 L HN 0.496 nan 8.230 nan 0.000 0.505 397 E N 0.725 120.922 120.200 -0.005 0.000 2.414 397 E HA 0.207 4.558 4.350 0.000 0.000 0.263 397 E C 0.959 177.561 176.600 0.003 0.000 1.000 397 E CA 0.096 56.498 56.400 0.003 0.000 0.914 397 E CB 0.407 30.109 29.700 0.003 0.000 0.948 397 E HN 0.791 nan 8.360 nan 0.000 0.444 398 G N 2.907 111.711 108.800 0.008 0.000 2.189 398 G HA2 -0.323 3.637 3.960 0.000 0.000 0.267 398 G HA3 -0.323 3.637 3.960 0.000 0.000 0.267 398 G C 0.039 174.946 174.900 0.013 0.000 0.975 398 G CA 0.421 45.526 45.100 0.009 0.000 0.644 398 G HN 0.595 nan 8.290 nan 0.000 0.537 399 S N 0.931 116.641 115.700 0.016 0.000 2.585 399 S HA 0.570 5.040 4.470 0.000 0.000 0.277 399 S C 0.549 175.173 174.600 0.039 0.000 1.241 399 S CA -0.220 57.995 58.200 0.024 0.000 1.041 399 S CB 1.462 64.674 63.200 0.020 0.000 0.987 399 S HN 0.807 nan 8.310 nan 0.000 0.512 400 N N 1.067 119.796 118.700 0.049 0.000 2.327 400 N HA 0.253 4.994 4.740 0.000 0.000 0.257 400 N C 1.414 176.980 175.510 0.093 0.000 1.281 400 N CA -0.042 53.046 53.050 0.063 0.000 0.942 400 N CB -0.564 37.959 38.487 0.060 0.000 1.199 400 N HN 0.499 nan 8.380 nan 0.000 0.532 401 G N -0.421 108.448 108.800 0.114 0.000 2.421 401 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 401 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 401 G C 1.430 176.497 174.900 0.277 0.000 1.171 401 G CA 0.689 45.896 45.100 0.180 0.000 0.775 401 G HN 0.477 nan 8.290 nan 0.000 0.543 402 L N 1.708 123.041 121.223 0.184 0.000 2.127 402 L HA -0.151 4.189 4.340 0.000 0.000 0.211 402 L C 3.273 180.100 176.870 -0.071 0.000 1.089 402 L CA 1.442 56.289 54.840 0.013 0.000 0.757 402 L CB -0.398 41.632 42.059 -0.049 0.000 0.899 402 L HN 0.437 nan 8.230 nan 0.000 0.434 403 S N -0.105 115.636 115.700 0.068 0.000 2.440 403 S HA -0.187 4.283 4.470 0.000 0.000 0.238 403 S C 1.864 176.504 174.600 0.067 0.000 1.010 403 S CA 0.938 59.208 58.200 0.117 0.000 0.972 403 S CB -0.714 62.550 63.200 0.106 0.000 0.774 403 S HN 0.425 nan 8.310 nan 0.000 0.501 404 L N 1.018 122.339 121.223 0.164 0.000 2.265 404 L HA -0.132 4.208 4.340 0.000 0.000 0.215 404 L C 2.884 180.034 176.870 0.466 0.000 1.117 404 L CA 1.178 56.257 54.840 0.397 0.000 0.782 404 L CB -0.684 41.701 42.059 0.543 0.000 0.914 404 L HN 0.436 nan 8.230 nan 0.000 0.441 405 Q N -1.040 118.604 119.800 -0.260 0.000 2.297 405 Q HA -0.214 4.126 4.340 0.000 0.000 0.208 405 Q C 1.406 177.215 176.000 -0.319 0.000 0.981 405 Q CA 1.601 56.962 55.803 -0.736 0.000 0.876 405 Q CB -0.021 27.731 28.738 -1.644 0.000 0.921 405 Q HN 0.588 nan 8.270 nan 0.000 0.446 406 Y N -1.425 118.976 120.300 0.167 0.000 2.607 406 Y HA 0.292 4.842 4.550 0.000 0.000 0.276 406 Y C 0.539 176.206 175.900 -0.389 0.000 1.117 406 Y CA -0.289 57.825 58.100 0.024 0.000 1.273 406 Y CB 0.876 39.312 38.460 -0.039 0.000 1.282 406 Y HN -0.102 nan 8.280 nan 0.000 0.514 407 D N -2.019 118.012 120.400 -0.616 0.000 2.710 407 D HA 0.520 5.160 4.640 0.000 0.000 0.276 407 D C -0.531 175.053 176.300 -1.193 0.000 1.267 407 D CA 0.392 53.634 54.000 -1.262 0.000 0.772 407 D CB 1.927 42.404 40.800 -0.539 0.000 1.299 407 D HN 0.261 nan 8.370 nan 0.000 0.421 408 G N 0.170 108.187 108.800 -1.305 0.000 2.340 408 G HA2 0.395 4.355 3.960 0.000 0.000 0.299 408 G HA3 0.395 4.355 3.960 0.000 0.000 0.299 408 G C -1.639 173.118 174.900 -0.238 0.000 1.291 408 G CA -0.636 44.142 45.100 -0.537 0.000 0.841 408 G HN 0.400 nan 8.290 nan 0.000 0.500 409 E N -0.254 119.965 120.200 0.032 0.000 2.151 409 E HA 0.535 4.885 4.350 0.000 0.000 0.275 409 E C -0.508 176.209 176.600 0.195 0.000 0.936 409 E CA -0.685 55.774 56.400 0.098 0.000 0.777 409 E CB 1.314 31.049 29.700 0.059 0.000 1.108 409 E HN 0.340 nan 8.360 nan 0.000 0.401 410 I N 3.231 123.920 120.570 0.199 0.000 2.352 410 I HA 0.071 4.242 4.170 0.000 0.000 0.290 410 I C 0.175 176.359 176.117 0.111 0.000 1.036 410 I CA 0.095 61.499 61.300 0.173 0.000 1.336 410 I CB 1.289 39.393 38.000 0.173 0.000 1.407 410 I HN 0.243 nan 8.210 nan 0.000 0.497 411 S N 5.088 120.838 115.700 0.083 0.000 2.733 411 S HA 0.346 4.816 4.470 0.000 0.000 0.307 411 S C -0.023 174.606 174.600 0.049 0.000 1.127 411 S CA -0.772 57.471 58.200 0.073 0.000 1.097 411 S CB 0.568 63.806 63.200 0.064 0.000 1.003 411 S HN 0.706 nan 8.310 nan 0.000 0.477 412 T N 2.676 117.283 114.554 0.088 0.000 2.870 412 T HA 0.411 4.761 4.350 0.000 0.000 0.300 412 T C 0.802 175.566 174.700 0.106 0.000 0.989 412 T CA -0.258 61.877 62.100 0.059 0.000 1.139 412 T CB 0.517 69.531 68.868 0.245 0.000 0.920 412 T HN 0.725 nan 8.240 nan 0.000 0.537 413 T N 0.858 115.414 114.554 0.003 0.000 2.849 413 T HA 0.403 4.753 4.350 0.000 0.000 0.276 413 T C 1.163 175.969 174.700 0.176 0.000 0.971 413 T CA -1.050 61.092 62.100 0.070 0.000 0.949 413 T CB 0.918 69.790 68.868 0.007 0.000 1.093 413 T HN 0.470 nan 8.240 nan 0.000 0.545 414 K N 0.108 120.637 120.400 0.214 0.000 2.288 414 K HA 0.102 4.423 4.320 0.000 0.000 0.201 414 K C 2.179 178.922 176.600 0.238 0.000 1.048 414 K CA 0.859 57.320 56.287 0.289 0.000 0.956 414 K CB -0.424 32.202 32.500 0.210 0.000 0.746 414 K HN 0.660 nan 8.250 nan 0.000 0.461 415 M N 0.550 120.258 119.600 0.181 0.000 2.159 415 M HA -0.127 4.353 4.480 0.000 0.000 0.263 415 M C 2.245 178.645 176.300 0.165 0.000 1.063 415 M CA 1.149 56.603 55.300 0.257 0.000 1.110 415 M CB -0.330 32.468 32.600 0.329 0.000 1.374 415 M HN 0.068 nan 8.290 nan 0.000 0.411 416 L N -0.682 120.477 121.223 -0.108 0.000 2.012 416 L HA -0.198 4.143 4.340 0.000 0.000 0.210 416 L C 1.944 178.612 176.870 -0.336 0.000 1.073 416 L CA 1.891 56.511 54.840 -0.367 0.000 0.748 416 L CB -0.215 41.403 42.059 -0.735 0.000 0.891 416 L HN 0.328 nan 8.230 nan 0.000 0.431 417 W N -0.498 120.830 121.300 0.046 0.000 2.476 417 W HA -0.113 4.547 4.660 0.000 0.000 0.281 417 W C 2.787 179.339 176.519 0.055 0.000 1.230 417 W CA 1.198 58.559 57.345 0.028 0.000 1.287 417 W CB -0.603 28.869 29.460 0.020 0.000 1.108 417 W HN 0.278 nan 8.180 nan 0.000 0.567 418 T N -3.925 110.798 114.554 0.281 0.000 2.942 418 T HA -0.099 4.251 4.350 0.000 0.000 0.265 418 T C 1.586 176.418 174.700 0.219 0.000 1.062 418 T CA 1.636 63.873 62.100 0.228 0.000 1.139 418 T CB -0.862 68.138 68.868 0.220 0.000 0.883 418 T HN -0.083 nan 8.240 nan 0.000 0.468 419 T N 2.333 116.999 114.554 0.188 0.000 2.720 419 T HA 0.047 4.397 4.350 0.000 0.000 0.268 419 T C 2.388 177.121 174.700 0.055 0.000 1.037 419 T CA 1.394 63.570 62.100 0.127 0.000 1.144 419 T CB -0.795 68.264 68.868 0.318 0.000 0.864 419 T HN 0.613 nan 8.240 nan 0.000 0.444 420 A N 1.828 124.676 122.820 0.047 0.000 2.067 420 A HA -0.084 4.237 4.320 0.000 0.000 0.219 420 A C 2.215 179.813 177.584 0.023 0.000 1.158 420 A CA 0.969 53.001 52.037 -0.009 0.000 0.661 420 A CB -0.548 18.441 19.000 -0.019 0.000 0.801 420 A HN 0.413 nan 8.150 nan 0.000 0.452 421 N N -1.149 117.601 118.700 0.085 0.000 2.137 421 N HA -0.197 4.543 4.740 0.000 0.000 0.190 421 N C 1.395 176.862 175.510 -0.072 0.000 1.017 421 N CA 1.820 54.904 53.050 0.057 0.000 0.859 421 N CB -0.277 38.170 38.487 -0.066 0.000 1.002 421 N HN 0.703 nan 8.380 nan 0.000 0.428 422 Y N 0.759 120.972 120.300 -0.146 0.000 2.190 422 Y HA -0.045 4.505 4.550 0.000 0.000 0.290 422 Y C 2.871 178.427 175.900 -0.574 0.000 1.115 422 Y CA 1.200 59.057 58.100 -0.406 0.000 1.107 422 Y CB -0.647 37.373 38.460 -0.734 0.000 1.033 422 Y HN 0.052 nan 8.280 nan 0.000 0.502 423 S N -0.424 114.936 115.700 -0.566 0.000 2.402 423 S HA -0.208 4.262 4.470 0.000 0.000 0.229 423 S C 1.869 176.321 174.600 -0.247 0.000 1.021 423 S CA 0.925 58.772 58.200 -0.589 0.000 0.974 423 S CB -1.088 61.888 63.200 -0.374 0.000 0.800 423 S HN 0.402 nan 8.310 nan 0.000 0.484 424 F N 1.054 120.746 119.950 -0.431 0.000 2.325 424 F HA 0.198 4.726 4.527 0.000 0.000 0.299 424 F C 1.228 176.607 175.800 -0.702 0.000 1.090 424 F CA 0.840 58.453 58.000 -0.646 0.000 1.392 424 F CB 0.033 38.454 39.000 -0.965 0.000 1.053 424 F HN 0.162 nan 8.300 nan 0.000 0.521 425 F N -1.389 118.531 119.950 -0.050 0.000 2.637 425 F HA 0.241 4.769 4.527 0.000 0.000 0.284 425 F C 0.679 176.444 175.800 -0.058 0.000 1.105 425 F CA -0.126 57.839 58.000 -0.058 0.000 1.356 425 F CB -0.495 38.501 39.000 -0.006 0.000 1.096 425 F HN -0.490 nan 8.300 nan 0.000 0.616 426 V N 4.144 124.104 119.914 0.077 0.000 2.313 426 V HA 0.233 4.353 4.120 0.000 0.000 0.252 426 V C 0.255 176.424 176.094 0.125 0.000 1.112 426 V CA -0.558 61.775 62.300 0.056 0.000 0.984 426 V CB -0.649 31.138 31.823 -0.061 0.000 1.157 426 V HN 0.041 nan 8.190 nan 0.000 0.493 427 R N 4.559 125.110 120.500 0.085 0.000 2.500 427 R HA 0.433 4.773 4.340 0.000 0.000 0.277 427 R C -2.576 173.767 176.300 0.072 0.000 1.026 427 R CA -2.263 53.872 56.100 0.057 0.000 1.058 427 R CB 0.888 31.197 30.300 0.015 0.000 1.078 427 R HN 0.291 nan 8.270 nan 0.000 0.509 428 P HA 0.036 nan 4.420 nan 0.000 0.268 428 P C 0.700 178.035 177.300 0.059 0.000 1.205 428 P CA 0.763 63.892 63.100 0.048 0.000 0.771 428 P CB 0.545 32.266 31.700 0.034 0.000 0.858 429 G N 1.589 110.435 108.800 0.076 0.000 2.317 429 G HA2 -0.270 3.690 3.960 0.000 0.000 0.227 429 G HA3 -0.270 3.690 3.960 0.000 0.000 0.227 429 G C 0.330 175.288 174.900 0.096 0.000 1.042 429 G CA -0.217 44.931 45.100 0.079 0.000 0.623 429 G HN 0.472 nan 8.290 nan 0.000 0.509 430 M N 1.122 120.788 119.600 0.110 0.000 2.252 430 M HA 0.307 4.787 4.480 0.000 0.000 0.329 430 M C 0.618 177.024 176.300 0.177 0.000 1.101 430 M CA 0.875 56.264 55.300 0.148 0.000 1.117 430 M CB 0.464 33.172 32.600 0.181 0.000 1.563 430 M HN 0.222 nan 8.290 nan 0.000 0.445 431 K N 1.479 121.990 120.400 0.184 0.000 2.156 431 K HA 0.431 4.751 4.320 0.000 0.000 0.250 431 K C -0.459 176.300 176.600 0.266 0.000 0.955 431 K CA -0.804 55.603 56.287 0.199 0.000 0.855 431 K CB 1.536 34.114 32.500 0.129 0.000 1.101 431 K HN 0.492 nan 8.250 nan 0.000 0.434 432 R N 3.010 123.684 120.500 0.291 0.000 2.438 432 R HA 0.293 4.633 4.340 0.000 0.000 0.287 432 R C -0.353 176.007 176.300 0.100 0.000 1.077 432 R CA -0.243 55.945 56.100 0.147 0.000 1.034 432 R CB 0.272 30.668 30.300 0.161 0.000 0.993 432 R HN 0.684 nan 8.270 nan 0.000 0.459 433 I N 0.335 120.891 120.570 -0.023 0.000 2.846 433 I HA 0.630 4.800 4.170 0.000 0.000 0.307 433 I C -0.501 175.663 176.117 0.079 0.000 1.053 433 I CA -1.392 59.912 61.300 0.008 0.000 1.050 433 I CB 2.128 40.115 38.000 -0.021 0.000 1.239 433 I HN 0.664 nan 8.210 nan 0.000 0.439 434 A N 4.881 127.764 122.820 0.105 0.000 2.477 434 A HA 0.543 4.863 4.320 0.000 0.000 0.246 434 A C -0.436 177.207 177.584 0.097 0.000 1.078 434 A CA -0.143 52.012 52.037 0.196 0.000 0.770 434 A CB 0.185 19.283 19.000 0.164 0.000 1.011 434 A HN 0.789 nan 8.150 nan 0.000 0.494 435 I N 1.228 121.864 120.570 0.110 0.000 2.478 435 I HA 0.678 4.848 4.170 0.000 0.000 0.287 435 I C -0.111 176.130 176.117 0.207 0.000 1.042 435 I CA -0.361 61.019 61.300 0.132 0.000 1.067 435 I CB 1.507 39.558 38.000 0.084 0.000 1.233 435 I HN 0.709 nan 8.210 nan 0.000 0.431 436 K N 8.283 128.810 120.400 0.211 0.000 2.270 436 K HA 0.780 5.100 4.320 0.000 0.000 0.255 436 K C -3.102 173.551 176.600 0.089 0.000 0.936 436 K CA -1.717 54.669 56.287 0.166 0.000 0.809 436 K CB 1.223 33.772 32.500 0.081 0.000 1.131 436 K HN 0.494 nan 8.250 nan 0.000 0.427 437 P HA 0.141 nan 4.420 nan 0.000 0.279 437 P C 0.829 177.958 177.300 -0.286 0.000 1.239 437 P CA -0.020 62.739 63.100 -0.569 0.000 0.789 437 P CB 1.188 32.555 31.700 -0.555 0.000 0.933 438 T N -0.710 113.665 114.554 -0.300 0.000 2.665 438 T HA -0.195 4.156 4.350 0.000 0.000 0.268 438 T C 1.319 175.943 174.700 -0.126 0.000 1.035 438 T CA 1.470 63.472 62.100 -0.163 0.000 1.151 438 T CB -1.727 67.058 68.868 -0.138 0.000 0.862 438 T HN 0.481 nan 8.240 nan 0.000 0.438 439 Y N 1.368 121.579 120.300 -0.148 0.000 2.304 439 Y HA 0.680 5.231 4.550 0.000 0.000 0.328 439 Y C 0.707 176.558 175.900 -0.082 0.000 1.123 439 Y CA -1.783 56.260 58.100 -0.096 0.000 1.218 439 Y CB -0.328 38.082 38.460 -0.084 0.000 1.207 439 Y HN 0.683 nan 8.280 nan 0.000 0.495 440 K N 1.838 122.211 120.400 -0.044 0.000 2.312 440 K HA 0.748 5.068 4.320 0.000 0.000 0.287 440 K C -0.385 176.210 176.600 -0.008 0.000 1.062 440 K CA 0.422 56.696 56.287 -0.021 0.000 0.934 440 K CB -0.210 32.284 32.500 -0.010 0.000 1.027 440 K HN 2.284 nan 8.250 nan 0.000 0.478 441 I N 1.159 121.735 120.570 0.010 0.000 2.562 441 I HA 0.745 4.916 4.170 0.000 0.000 0.301 441 I C 0.818 176.951 176.117 0.027 0.000 1.003 441 I CA -0.475 60.838 61.300 0.023 0.000 1.127 441 I CB 1.223 39.249 38.000 0.043 0.000 1.304 441 I HN 1.011 nan 8.210 nan 0.000 0.446 442 S N 2.182 117.893 115.700 0.018 0.000 2.641 442 S HA 0.246 4.716 4.470 0.000 0.000 0.261 442 S C 0.560 175.168 174.600 0.013 0.000 1.257 442 S CA 0.389 58.596 58.200 0.012 0.000 0.983 442 S CB 0.735 63.936 63.200 0.002 0.000 0.990 442 S HN 0.749 nan 8.310 nan 0.000 0.572 443 D N 0.086 120.489 120.400 0.004 0.000 2.084 443 D HA -0.068 4.572 4.640 0.000 0.000 0.196 443 D C 1.878 178.169 176.300 -0.016 0.000 0.985 443 D CA 0.976 54.977 54.000 0.001 0.000 0.826 443 D CB -0.545 40.249 40.800 -0.011 0.000 0.978 443 D HN 0.416 nan 8.370 nan 0.000 0.456 444 L N 1.502 122.711 121.223 -0.024 0.000 2.046 444 L HA -0.161 4.179 4.340 0.000 0.000 0.208 444 L C 2.275 179.126 176.870 -0.031 0.000 1.077 444 L CA 2.618 57.437 54.840 -0.036 0.000 0.747 444 L CB -1.171 40.867 42.059 -0.034 0.000 0.896 444 L HN 0.091 nan 8.230 nan 0.000 0.432 445 E N -0.012 120.180 120.200 -0.014 0.000 2.051 445 E HA -0.165 4.186 4.350 0.000 0.000 0.192 445 E C 2.284 178.880 176.600 -0.007 0.000 0.991 445 E CA 1.825 58.224 56.400 -0.002 0.000 0.799 445 E CB -1.428 28.278 29.700 0.010 0.000 0.748 445 E HN 0.759 nan 8.360 nan 0.000 0.449 446 A N 1.014 123.828 122.820 -0.010 0.000 1.948 446 A HA 0.123 4.444 4.320 0.000 0.000 0.220 446 A C 2.847 180.372 177.584 -0.098 0.000 1.177 446 A CA 2.807 54.827 52.037 -0.028 0.000 0.636 446 A CB -0.870 18.126 19.000 -0.006 0.000 0.815 446 A HN 1.139 nan 8.150 nan 0.000 0.449 447 A N -0.545 122.205 122.820 -0.117 0.000 1.940 447 A HA -0.109 4.212 4.320 0.000 0.000 0.219 447 A C 2.142 179.539 177.584 -0.312 0.000 1.176 447 A CA 2.364 54.267 52.037 -0.223 0.000 0.631 447 A CB -1.105 17.788 19.000 -0.178 0.000 0.814 447 A HN 0.919 nan 8.150 nan 0.000 0.446 448 T N -3.512 110.980 114.554 -0.104 0.000 3.186 448 T HA 0.405 4.755 4.350 0.000 0.000 0.257 448 T C 0.819 175.635 174.700 0.194 0.000 1.029 448 T CA 0.730 62.885 62.100 0.091 0.000 0.916 448 T CB 0.049 68.997 68.868 0.133 0.000 1.041 448 T HN 0.655 nan 8.240 nan 0.000 0.562 449 S N 0.400 116.166 115.700 0.110 0.000 4.948 449 S HA 0.513 4.983 4.470 0.000 0.000 0.154 449 S C -0.660 173.994 174.600 0.089 0.000 1.026 449 S CA -0.475 57.794 58.200 0.113 0.000 1.308 449 S CB 0.317 63.561 63.200 0.073 0.000 1.915 449 S HN 0.297 nan 8.310 nan 0.000 0.680 450 L N 1.672 122.917 121.223 0.036 0.000 2.438 450 L HA 0.776 5.116 4.340 0.000 0.000 0.270 450 L C -1.669 175.152 176.870 -0.082 0.000 0.972 450 L CA -0.519 54.323 54.840 0.005 0.000 0.831 450 L CB 1.795 43.892 42.059 0.063 0.000 1.273 450 L HN 0.619 nan 8.230 nan 0.000 0.405 451 M N 6.361 125.839 119.600 -0.204 0.000 2.464 451 M HA 0.627 5.107 4.480 0.000 0.000 0.308 451 M C -1.276 174.852 176.300 -0.287 0.000 1.127 451 M CA -0.472 54.557 55.300 -0.450 0.000 0.913 451 M CB 2.527 34.494 32.600 -1.055 0.000 1.689 451 M HN 0.612 nan 8.290 nan 0.000 0.445 452 I N 1.834 122.357 120.570 -0.079 0.000 2.743 452 I HA 0.615 4.785 4.170 0.000 0.000 0.292 452 I C -1.389 174.802 176.117 0.124 0.000 1.343 452 I CA 0.011 61.290 61.300 -0.035 0.000 1.038 452 I CB 1.911 39.691 38.000 -0.368 0.000 1.311 452 I HN 0.879 nan 8.210 nan 0.000 0.426 453 S N 3.963 119.733 115.700 0.117 0.000 2.618 453 S HA 0.839 5.309 4.470 0.000 0.000 0.277 453 S C -1.087 173.459 174.600 -0.090 0.000 1.138 453 S CA -0.644 57.562 58.200 0.010 0.000 0.844 453 S CB 2.080 65.330 63.200 0.084 0.000 1.127 453 S HN 0.577 nan 8.310 nan 0.000 0.474 454 S N 0.211 115.685 115.700 -0.376 0.000 2.595 454 S HA 0.854 5.324 4.470 0.000 0.000 0.281 454 S C -1.879 172.286 174.600 -0.725 0.000 1.117 454 S CA -0.598 57.415 58.200 -0.312 0.000 0.873 454 S CB 0.959 64.104 63.200 -0.091 0.000 1.108 454 S HN 0.710 nan 8.310 nan 0.000 0.477 455 Y N -0.264 120.098 120.300 0.104 0.000 2.597 455 Y HA 0.734 5.285 4.550 0.000 0.000 0.340 455 Y C 0.156 176.112 175.900 0.094 0.000 1.097 455 Y CA -0.755 57.415 58.100 0.115 0.000 1.037 455 Y CB 2.310 40.856 38.460 0.144 0.000 1.305 455 Y HN 0.642 nan 8.280 nan 0.000 0.463 456 T N 0.019 114.708 114.554 0.226 0.000 2.853 456 T HA 0.277 4.627 4.350 0.000 0.000 0.311 456 T C -1.170 173.611 174.700 0.135 0.000 1.307 456 T CA -0.632 61.560 62.100 0.154 0.000 1.019 456 T CB 1.127 70.053 68.868 0.097 0.000 1.264 456 T HN 0.799 nan 8.240 nan 0.000 0.497 457 D N 0.467 120.932 120.400 0.108 0.000 2.440 457 D HA 0.307 4.947 4.640 0.000 0.000 0.216 457 D C 1.393 177.732 176.300 0.065 0.000 1.150 457 D CA 0.668 54.719 54.000 0.086 0.000 0.832 457 D CB -0.017 40.831 40.800 0.079 0.000 0.992 457 D HN 1.122 nan 8.370 nan 0.000 0.502 458 G N 0.822 109.659 108.800 0.063 0.000 2.241 458 G HA2 -0.359 3.601 3.960 0.000 0.000 0.244 458 G HA3 -0.359 3.601 3.960 0.000 0.000 0.244 458 G C 1.129 176.056 174.900 0.045 0.000 0.998 458 G CA 0.504 45.633 45.100 0.048 0.000 0.621 458 G HN 0.455 nan 8.290 nan 0.000 0.519 459 K N -0.159 120.272 120.400 0.052 0.000 2.266 459 K HA 0.329 4.649 4.320 0.000 0.000 0.209 459 K C 0.820 177.453 176.600 0.056 0.000 1.065 459 K CA 0.289 56.605 56.287 0.049 0.000 0.946 459 K CB 0.558 33.087 32.500 0.048 0.000 1.069 459 K HN 0.300 nan 8.250 nan 0.000 0.472 460 E N 1.278 121.520 120.200 0.070 0.000 2.179 460 E HA 0.284 4.634 4.350 0.000 0.000 0.275 460 E C -1.462 175.190 176.600 0.087 0.000 0.945 460 E CA -0.559 55.888 56.400 0.078 0.000 0.792 460 E CB 1.814 31.571 29.700 0.095 0.000 1.125 460 E HN -0.173 nan 8.360 nan 0.000 0.397 461 V N 4.400 124.361 119.914 0.079 0.000 2.398 461 V HA 0.310 4.430 4.120 0.000 0.000 0.286 461 V C -0.357 175.793 176.094 0.093 0.000 1.026 461 V CA -0.726 61.626 62.300 0.088 0.000 0.868 461 V CB 1.537 33.399 31.823 0.064 0.000 0.982 461 V HN 0.432 nan 8.190 nan 0.000 0.443 462 V N 4.037 124.037 119.914 0.142 0.000 2.459 462 V HA 0.612 4.732 4.120 0.000 0.000 0.295 462 V C 0.098 176.304 176.094 0.187 0.000 1.029 462 V CA -0.235 62.153 62.300 0.147 0.000 0.874 462 V CB 2.079 34.017 31.823 0.192 0.000 0.985 462 V HN 0.957 nan 8.190 nan 0.000 0.438 463 T N 3.861 118.471 114.554 0.093 0.000 2.881 463 T HA 0.609 4.959 4.350 0.000 0.000 0.290 463 T C -0.744 173.964 174.700 0.013 0.000 1.000 463 T CA -0.450 61.690 62.100 0.066 0.000 0.978 463 T CB 1.822 70.689 68.868 -0.001 0.000 0.997 463 T HN 0.332 nan 8.240 nan 0.000 0.443 464 V N 2.457 122.384 119.914 0.020 0.000 2.407 464 V HA 0.783 4.904 4.120 0.000 0.000 0.291 464 V C -0.145 175.905 176.094 -0.072 0.000 1.018 464 V CA -0.848 61.386 62.300 -0.110 0.000 0.842 464 V CB 1.334 32.913 31.823 -0.408 0.000 0.996 464 V HN 1.094 nan 8.190 nan 0.000 0.426 465 A N 6.382 129.145 122.820 -0.096 0.000 2.303 465 A HA 0.906 5.226 4.320 0.000 0.000 0.320 465 A C -0.720 176.829 177.584 -0.059 0.000 1.192 465 A CA -0.492 51.486 52.037 -0.098 0.000 0.821 465 A CB 0.702 19.620 19.000 -0.137 0.000 1.188 465 A HN 0.787 nan 8.150 nan 0.000 0.492 466 I N 2.510 123.050 120.570 -0.050 0.000 2.330 466 I HA 0.217 4.387 4.170 0.000 0.000 0.289 466 I C 0.037 176.163 176.117 0.016 0.000 1.001 466 I CA -0.586 60.719 61.300 0.008 0.000 1.193 466 I CB 1.541 39.565 38.000 0.040 0.000 1.345 466 I HN 0.613 nan 8.210 nan 0.000 0.461 467 N N 5.202 123.927 118.700 0.042 0.000 2.602 467 N HA 0.035 4.775 4.740 0.000 0.000 0.238 467 N C 0.346 175.921 175.510 0.107 0.000 1.084 467 N CA -0.012 53.073 53.050 0.057 0.000 0.952 467 N CB 0.190 38.694 38.487 0.029 0.000 1.244 467 N HN 0.462 nan 8.380 nan 0.000 0.512 468 Y N 1.865 122.158 120.300 -0.011 0.000 2.639 468 Y HA -0.008 4.542 4.550 0.000 0.000 0.297 468 Y C 1.120 177.034 175.900 0.022 0.000 1.151 468 Y CA 0.344 58.449 58.100 0.008 0.000 1.335 468 Y CB -0.049 38.410 38.460 -0.002 0.000 0.994 468 Y HN 0.450 nan 8.280 nan 0.000 0.548 469 S N -0.882 114.860 115.700 0.070 0.000 2.646 469 S HA 0.203 4.673 4.470 0.000 0.000 0.276 469 S C 0.929 175.523 174.600 -0.009 0.000 1.222 469 S CA -0.774 57.448 58.200 0.037 0.000 1.014 469 S CB 1.674 64.910 63.200 0.060 0.000 0.991 469 S HN 0.278 nan 8.310 nan 0.000 0.533 470 K N 0.617 121.013 120.400 -0.007 0.000 2.439 470 K HA 0.088 4.408 4.320 0.000 0.000 0.197 470 K C 1.016 177.616 176.600 -0.001 0.000 1.041 470 K CA 1.080 57.360 56.287 -0.012 0.000 0.970 470 K CB -0.366 32.131 32.500 -0.006 0.000 0.773 470 K HN 0.856 nan 8.250 nan 0.000 0.479 471 E N 1.649 121.854 120.200 0.009 0.000 2.242 471 E HA 0.160 4.510 4.350 0.000 0.000 0.275 471 E C -0.473 176.134 176.600 0.012 0.000 1.002 471 E CA -0.789 55.618 56.400 0.012 0.000 0.841 471 E CB 0.318 30.029 29.700 0.018 0.000 1.109 471 E HN 0.157 nan 8.360 nan 0.000 0.394 472 N N 0.377 119.082 118.700 0.009 0.000 2.340 472 N HA 0.467 5.207 4.740 0.000 0.000 0.236 472 N C 0.134 175.654 175.510 0.017 0.000 1.296 472 N CA 0.759 53.815 53.050 0.009 0.000 0.896 472 N CB 1.018 39.507 38.487 0.004 0.000 1.127 472 N HN 0.932 nan 8.380 nan 0.000 0.442 473 Q N -0.289 119.523 119.800 0.020 0.000 2.353 473 Q HA 0.547 4.887 4.340 0.000 0.000 0.275 473 Q C -1.368 174.651 176.000 0.031 0.000 1.029 473 Q CA -0.874 54.948 55.803 0.032 0.000 0.848 473 Q CB 1.334 30.099 28.738 0.045 0.000 1.390 473 Q HN 0.414 nan 8.270 nan 0.000 0.401 474 V N 2.356 122.294 119.914 0.040 0.000 2.628 474 V HA 0.876 4.997 4.120 0.000 0.000 0.306 474 V C -0.123 176.015 176.094 0.073 0.000 1.045 474 V CA -0.416 61.909 62.300 0.042 0.000 0.905 474 V CB 1.330 33.169 31.823 0.027 0.000 0.997 474 V HN 1.140 nan 8.190 nan 0.000 0.436 475 I N 0.663 121.283 120.570 0.084 0.000 2.828 475 I HA 0.984 5.154 4.170 0.000 0.000 0.302 475 I C -0.079 176.107 176.117 0.115 0.000 1.101 475 I CA -0.570 60.818 61.300 0.147 0.000 1.031 475 I CB 2.230 40.359 38.000 0.216 0.000 1.231 475 I HN 0.621 nan 8.210 nan 0.000 0.427 476 S N 4.821 120.603 115.700 0.137 0.000 2.451 476 S HA 0.767 5.238 4.470 0.000 0.000 0.301 476 S C -0.821 173.872 174.600 0.154 0.000 1.116 476 S CA -0.558 57.703 58.200 0.102 0.000 1.093 476 S CB 1.085 64.322 63.200 0.062 0.000 1.017 476 S HN 0.642 nan 8.310 nan 0.000 0.482 477 L N 2.958 124.247 121.223 0.110 0.000 2.287 477 L HA 0.456 4.796 4.340 0.000 0.000 0.287 477 L C -0.333 176.587 176.870 0.084 0.000 1.022 477 L CA -0.414 54.496 54.840 0.116 0.000 0.814 477 L CB 1.278 43.377 42.059 0.066 0.000 1.217 477 L HN 0.783 nan 8.230 nan 0.000 0.420 478 N N 3.307 122.064 118.700 0.094 0.000 2.426 478 N HA 0.340 5.080 4.740 0.000 0.000 0.257 478 N C -1.308 174.236 175.510 0.057 0.000 1.002 478 N CA -0.286 52.802 53.050 0.063 0.000 0.942 478 N CB 0.713 39.232 38.487 0.053 0.000 1.112 478 N HN 0.619 nan 8.380 nan 0.000 0.499 479 C N 4.104 123.429 119.300 0.042 0.000 3.164 479 C HA 0.544 5.004 4.460 0.000 0.000 0.250 479 C C 0.850 175.858 174.990 0.029 0.000 1.151 479 C CA 0.635 59.675 59.018 0.037 0.000 1.449 479 C CB -1.740 26.022 27.740 0.037 0.000 1.825 479 C HN 1.011 nan 8.230 nan 0.000 0.478 480 D N 0.801 121.217 120.400 0.026 0.000 3.740 480 D HA -0.360 4.280 4.640 0.000 0.000 0.147 480 D C 0.942 177.253 176.300 0.019 0.000 0.885 480 D CA 2.220 56.232 54.000 0.020 0.000 1.051 480 D CB -1.492 39.319 40.800 0.019 0.000 0.480 480 D HN 1.817 nan 8.370 nan 0.000 0.469 481 H N -0.459 118.621 119.070 0.017 0.000 2.549 481 H HA 0.777 5.334 4.556 0.000 0.000 0.279 481 H C 1.454 176.791 175.328 0.016 0.000 1.018 481 H CA 1.459 57.516 56.048 0.015 0.000 1.175 481 H CB -0.447 29.322 29.762 0.013 0.000 1.485 481 H HN 1.594 nan 8.280 nan 0.000 0.543 482 A N -0.099 122.732 122.820 0.019 0.000 2.371 482 A HA 0.566 4.886 4.320 0.000 0.000 0.257 482 A C 1.429 179.023 177.584 0.017 0.000 1.089 482 A CA 0.467 52.515 52.037 0.019 0.000 0.794 482 A CB 0.010 19.023 19.000 0.022 0.000 1.029 482 A HN 0.899 nan 8.150 nan 0.000 0.488 483 Q N 1.310 121.118 119.800 0.014 0.000 2.402 483 Q HA 0.222 4.562 4.340 0.000 0.000 0.231 483 Q C 0.660 176.665 176.000 0.008 0.000 0.888 483 Q CA 1.378 57.187 55.803 0.010 0.000 0.938 483 Q CB -0.202 28.540 28.738 0.007 0.000 1.086 483 Q HN 0.909 nan 8.270 nan 0.000 0.543 484 K N -1.607 118.798 120.400 0.009 0.000 2.435 484 K HA 0.776 5.096 4.320 0.000 0.000 0.251 484 K C -0.408 176.198 176.600 0.010 0.000 0.954 484 K CA -0.587 55.703 56.287 0.005 0.000 0.820 484 K CB 2.101 34.602 32.500 0.001 0.000 1.292 484 K HN 0.206 nan 8.250 nan 0.000 0.436 485 G N 1.264 110.067 108.800 0.004 0.000 2.605 485 G HA2 0.403 4.364 3.960 0.000 0.000 0.296 485 G HA3 0.403 4.364 3.960 0.000 0.000 0.296 485 G C -1.394 173.509 174.900 0.005 0.000 1.304 485 G CA -1.016 44.091 45.100 0.010 0.000 0.941 485 G HN 0.439 nan 8.290 nan 0.000 0.475 486 K N 0.614 121.031 120.400 0.028 0.000 2.258 486 K HA 0.438 4.759 4.320 0.000 0.000 0.284 486 K C -0.458 176.077 176.600 -0.109 0.000 1.051 486 K CA -0.395 55.903 56.287 0.019 0.000 0.923 486 K CB 1.971 34.523 32.500 0.088 0.000 1.046 486 K HN 0.165 nan 8.250 nan 0.000 0.474 487 V N 3.840 123.628 119.914 -0.210 0.000 2.612 487 V HA 0.320 4.441 4.120 0.000 0.000 0.301 487 V C -0.883 174.972 176.094 -0.399 0.000 1.046 487 V CA -0.722 61.457 62.300 -0.202 0.000 0.946 487 V CB 0.562 32.312 31.823 -0.121 0.000 1.003 487 V HN 0.569 nan 8.190 nan 0.000 0.459 488 Y N 4.070 124.398 120.300 0.046 0.000 2.354 488 Y HA 0.676 5.226 4.550 0.000 0.000 0.330 488 Y C -0.569 175.367 175.900 0.060 0.000 1.011 488 Y CA -0.590 57.577 58.100 0.112 0.000 1.099 488 Y CB 1.895 40.454 38.460 0.166 0.000 1.179 488 Y HN 0.504 nan 8.280 nan 0.000 0.442 489 L N 2.991 124.310 121.223 0.160 0.000 2.385 489 L HA 0.756 5.096 4.340 0.000 0.000 0.273 489 L C -0.710 176.194 176.870 0.057 0.000 0.990 489 L CA -0.093 54.792 54.840 0.074 0.000 0.821 489 L CB 2.071 44.138 42.059 0.013 0.000 1.279 489 L HN 0.583 nan 8.230 nan 0.000 0.412 490 T N 3.285 117.877 114.554 0.063 0.000 2.791 490 T HA 0.704 5.055 4.350 0.000 0.000 0.288 490 T C -0.220 174.508 174.700 0.046 0.000 0.999 490 T CA -0.271 61.864 62.100 0.059 0.000 0.952 490 T CB 1.117 70.065 68.868 0.134 0.000 0.938 490 T HN 0.821 nan 8.240 nan 0.000 0.444 491 T N -0.098 114.467 114.554 0.018 0.000 2.716 491 T HA 0.511 4.861 4.350 0.000 0.000 0.286 491 T C 1.298 176.007 174.700 0.014 0.000 1.052 491 T CA -0.875 61.234 62.100 0.016 0.000 1.024 491 T CB 0.650 69.516 68.868 -0.002 0.000 1.349 491 T HN 0.343 nan 8.240 nan 0.000 0.525 492 I N 0.324 120.901 120.570 0.011 0.000 2.479 492 I HA -0.164 4.006 4.170 0.000 0.000 0.258 492 I C 0.786 176.901 176.117 -0.003 0.000 1.165 492 I CA 1.814 63.120 61.300 0.010 0.000 1.422 492 I CB -0.010 37.993 38.000 0.004 0.000 1.087 492 I HN 0.577 nan 8.210 nan 0.000 0.441 493 D N -0.155 120.234 120.400 -0.019 0.000 2.474 493 D HA 0.170 4.810 4.640 0.000 0.000 0.213 493 D C 0.014 176.276 176.300 -0.063 0.000 1.120 493 D CA 0.261 54.241 54.000 -0.034 0.000 0.836 493 D CB 0.654 41.435 40.800 -0.031 0.000 1.019 493 D HN 0.263 nan 8.370 nan 0.000 0.507 494 K N 1.232 121.589 120.400 -0.072 0.000 2.507 494 K HA 0.335 4.655 4.320 0.000 0.000 0.252 494 K C -0.901 175.587 176.600 -0.188 0.000 0.943 494 K CA -0.643 55.573 56.287 -0.118 0.000 0.808 494 K CB 1.837 34.292 32.500 -0.075 0.000 1.142 494 K HN -0.280 nan 8.250 nan 0.000 0.426 495 N N 3.394 121.858 118.700 -0.392 0.000 2.678 495 N HA 0.107 4.847 4.740 0.000 0.000 0.231 495 N C -0.524 174.565 175.510 -0.702 0.000 1.038 495 N CA -0.472 52.078 53.050 -0.833 0.000 0.932 495 N CB 0.473 38.029 38.487 -1.552 0.000 1.176 495 N HN 0.539 nan 8.380 nan 0.000 0.511 496 L N 1.018 122.108 121.223 -0.222 0.000 3.943 496 L HA -0.279 4.061 4.340 0.000 0.000 0.529 496 L C 0.183 177.059 176.870 0.010 0.000 1.173 496 L CA 0.772 55.617 54.840 0.008 0.000 0.737 496 L CB -0.763 41.397 42.059 0.169 0.000 1.321 496 L HN 0.530 nan 8.230 nan 0.000 0.794 497 R N 1.821 122.334 120.500 0.021 0.000 2.349 497 R HA 0.199 4.539 4.340 0.000 0.000 0.299 497 R C -0.518 175.882 176.300 0.166 0.000 1.027 497 R CA -0.782 55.350 56.100 0.053 0.000 0.958 497 R CB 0.671 30.950 30.300 -0.035 0.000 1.047 497 R HN 0.335 nan 8.270 nan 0.000 0.468 498 Y N 6.046 126.376 120.300 0.049 0.000 2.637 498 Y HA 0.023 4.573 4.550 0.000 0.000 0.350 498 Y C 0.234 176.022 175.900 -0.186 0.000 1.069 498 Y CA -0.224 57.802 58.100 -0.124 0.000 1.397 498 Y CB 0.690 39.146 38.460 -0.007 0.000 1.163 498 Y HN 0.617 nan 8.280 nan 0.000 0.527 499 M N 5.005 124.353 119.600 -0.419 0.000 2.563 499 M HA 0.233 4.713 4.480 0.000 0.000 0.231 499 M C 1.042 176.963 176.300 -0.631 0.000 1.136 499 M CA 0.608 55.649 55.300 -0.431 0.000 1.026 499 M CB -1.480 30.978 32.600 -0.237 0.000 1.597 499 M HN 0.832 nan 8.290 nan 0.000 0.495 500 G N 1.349 109.369 108.800 -1.300 0.000 2.814 500 G HA2 -0.185 3.775 3.960 0.000 0.000 0.677 500 G HA3 -0.185 3.775 3.960 0.000 0.000 0.677 500 G C -0.708 173.983 174.900 -0.348 0.000 1.429 500 G CA -0.862 43.672 45.100 -0.944 0.000 0.868 500 G HN 0.457 nan 8.290 nan 0.000 0.553 501 E N 0.217 120.338 120.200 -0.131 0.000 2.415 501 E HA 0.352 4.703 4.350 0.000 0.000 0.263 501 E C 0.348 176.904 176.600 -0.074 0.000 0.995 501 E CA 0.533 56.908 56.400 -0.043 0.000 0.915 501 E CB 0.713 30.413 29.700 -0.000 0.000 0.951 501 E HN 0.513 nan 8.360 nan 0.000 0.449 502 Q N 3.122 122.889 119.800 -0.055 0.000 2.347 502 Q HA 0.291 4.632 4.340 0.000 0.000 0.271 502 Q C -2.553 173.429 176.000 -0.030 0.000 1.064 502 Q CA -2.332 53.438 55.803 -0.055 0.000 0.800 502 Q CB 1.866 30.564 28.738 -0.067 0.000 1.304 502 Q HN 0.219 nan 8.270 nan 0.000 0.438 503 P HA -0.032 nan 4.420 nan 0.000 0.262 503 P C 0.175 177.472 177.300 -0.005 0.000 1.199 503 P CA 0.450 63.542 63.100 -0.012 0.000 0.763 503 P CB 0.622 32.314 31.700 -0.013 0.000 0.790 504 L N 2.473 123.699 121.223 0.004 0.000 2.191 504 L HA -0.219 4.122 4.340 0.000 0.000 0.212 504 L C 2.740 179.624 176.870 0.023 0.000 1.103 504 L CA 2.204 57.053 54.840 0.014 0.000 0.769 504 L CB -1.042 41.029 42.059 0.020 0.000 0.908 504 L HN 0.357 nan 8.230 nan 0.000 0.438 505 K N 0.891 121.301 120.400 0.018 0.000 2.155 505 K HA -0.010 4.310 4.320 0.000 0.000 0.203 505 K C 1.311 177.924 176.600 0.021 0.000 1.052 505 K CA 1.631 57.930 56.287 0.021 0.000 0.948 505 K CB -0.715 31.793 32.500 0.013 0.000 0.728 505 K HN 0.363 nan 8.250 nan 0.000 0.448 506 K N 0.975 121.383 120.400 0.012 0.000 2.579 506 K HA 0.678 4.998 4.320 0.000 0.000 0.225 506 K C -0.802 175.800 176.600 0.004 0.000 0.992 506 K CA -0.519 55.774 56.287 0.010 0.000 1.018 506 K CB 0.163 32.664 32.500 0.002 0.000 1.249 506 K HN 0.307 nan 8.250 nan 0.000 0.489 507 L N 2.264 123.495 121.223 0.013 0.000 2.296 507 L HA 0.570 4.910 4.340 0.000 0.000 0.286 507 L C 0.812 177.683 176.870 0.001 0.000 1.023 507 L CA -1.008 53.832 54.840 0.001 0.000 0.812 507 L CB 1.980 44.041 42.059 0.003 0.000 1.223 507 L HN 0.832 nan 8.230 nan 0.000 0.421 508 Q N 5.798 125.590 119.800 -0.013 0.000 2.349 508 Q HA 0.518 4.858 4.340 0.000 0.000 0.254 508 Q C -0.764 175.228 176.000 -0.013 0.000 0.980 508 Q CA -0.260 55.536 55.803 -0.012 0.000 0.924 508 Q CB 0.719 29.444 28.738 -0.022 0.000 1.209 508 Q HN 0.653 nan 8.270 nan 0.000 0.445 509 L N 4.684 125.905 121.223 -0.004 0.000 2.335 509 L HA 0.339 4.679 4.340 0.000 0.000 0.268 509 L C -2.391 174.479 176.870 -0.000 0.000 1.037 509 L CA -1.954 52.884 54.840 -0.004 0.000 0.895 509 L CB 1.372 43.430 42.059 -0.002 0.000 1.266 509 L HN 0.473 nan 8.230 nan 0.000 0.439 510 P HA -0.096 nan 4.420 nan 0.000 0.270 510 P C -0.015 177.284 177.300 -0.001 0.000 1.216 510 P CA 0.035 63.132 63.100 -0.005 0.000 0.788 510 P CB 0.595 32.289 31.700 -0.009 0.000 0.883 511 A N 2.777 125.595 122.820 -0.003 0.000 2.498 511 A HA 0.066 4.387 4.320 0.000 0.000 0.239 511 A C 0.373 177.950 177.584 -0.013 0.000 1.068 511 A CA -0.088 51.946 52.037 -0.006 0.000 0.766 511 A CB -0.592 18.402 19.000 -0.010 0.000 1.003 511 A HN 0.635 nan 8.150 nan 0.000 0.497 512 R N -0.015 120.471 120.500 -0.023 0.000 3.059 512 R HA -0.165 4.175 4.340 0.000 0.000 0.251 512 R C 0.005 176.301 176.300 -0.007 0.000 0.886 512 R CA 0.980 57.054 56.100 -0.044 0.000 0.634 512 R CB -2.388 27.863 30.300 -0.081 0.000 1.282 512 R HN 1.233 nan 8.270 nan 0.000 0.487 513 S N -1.922 113.788 115.700 0.017 0.000 2.685 513 S HA 0.794 5.264 4.470 0.000 0.000 0.282 513 S C -0.335 174.294 174.600 0.048 0.000 1.159 513 S CA -0.951 57.267 58.200 0.031 0.000 0.833 513 S CB 3.095 66.304 63.200 0.016 0.000 1.151 513 S HN 0.041 nan 8.310 nan 0.000 0.485 514 V N 0.675 120.620 119.914 0.051 0.000 2.577 514 V HA 0.852 4.973 4.120 0.000 0.000 0.303 514 V C -0.067 176.041 176.094 0.024 0.000 1.042 514 V CA -0.401 61.923 62.300 0.039 0.000 0.872 514 V CB 1.161 33.021 31.823 0.063 0.000 0.998 514 V HN 1.310 nan 8.190 nan 0.000 0.423 515 A N 2.893 125.710 122.820 -0.006 0.000 2.350 515 A HA 0.882 5.202 4.320 0.000 0.000 0.324 515 A C -0.169 177.399 177.584 -0.028 0.000 1.118 515 A CA -0.551 51.485 52.037 -0.001 0.000 0.783 515 A CB 1.536 20.527 19.000 -0.015 0.000 1.236 515 A HN 0.706 nan 8.150 nan 0.000 0.457 516 T N 2.554 117.116 114.554 0.013 0.000 2.815 516 T HA 0.511 4.861 4.350 0.000 0.000 0.289 516 T C -0.636 174.046 174.700 -0.029 0.000 1.000 516 T CA 0.092 62.168 62.100 -0.040 0.000 0.958 516 T CB 0.167 69.002 68.868 -0.054 0.000 0.944 516 T HN 0.391 nan 8.240 nan 0.000 0.442 517 I N 3.379 123.918 120.570 -0.051 0.000 2.321 517 I HA 0.397 4.568 4.170 0.000 0.000 0.291 517 I C -0.216 175.876 176.117 -0.042 0.000 0.998 517 I CA -0.653 60.628 61.300 -0.032 0.000 1.227 517 I CB 1.571 39.556 38.000 -0.025 0.000 1.368 517 I HN 0.281 nan 8.210 nan 0.000 0.466 518 V N 7.449 127.348 119.914 -0.025 0.000 2.334 518 V HA 0.400 4.520 4.120 0.000 0.000 0.281 518 V C 0.326 176.438 176.094 0.031 0.000 1.016 518 V CA -0.609 61.681 62.300 -0.015 0.000 0.832 518 V CB 1.457 33.253 31.823 -0.045 0.000 0.999 518 V HN 0.475 nan 8.190 nan 0.000 0.439 519 V N 0.000 119.935 119.914 0.035 0.000 2.409 519 V HA 0.000 4.120 4.120 0.000 0.000 0.244 519 V CA 0.000 62.322 62.300 0.037 0.000 1.235 519 V CB 0.000 31.844 31.823 0.035 0.000 1.184 519 V HN 0.000 nan 8.190 nan 0.000 0.556