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_E 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 0.000 176.540 176.600 -0.100 0.000 0.988 29 K CA 0.000 56.238 56.287 -0.082 0.000 0.838 29 K CB 0.000 32.502 32.500 0.004 0.000 1.064 30 V N 2.540 122.294 119.914 -0.266 0.000 2.656 30 V HA 0.770 4.891 4.120 0.000 0.000 0.307 30 V C -1.707 174.162 176.094 -0.375 0.000 1.051 30 V CA -0.437 61.760 62.300 -0.172 0.000 0.893 30 V CB 1.095 32.876 31.823 -0.070 0.000 0.999 30 V HN 0.594 nan 8.190 nan 0.000 0.426 31 F N 5.517 125.471 119.950 0.006 0.000 2.507 31 F HA 0.721 5.248 4.527 0.000 0.000 0.325 31 F C -0.254 175.550 175.800 0.006 0.000 1.116 31 F CA -0.690 57.315 58.000 0.009 0.000 0.930 31 F CB 2.089 41.096 39.000 0.012 0.000 1.146 31 F HN 0.345 nan 8.300 nan 0.000 0.447 32 I N 4.499 125.172 120.570 0.172 0.000 2.330 32 I HA 0.330 4.500 4.170 0.000 0.000 0.289 32 I C -0.217 175.957 176.117 0.096 0.000 1.001 32 I CA -0.221 61.139 61.300 0.100 0.000 1.193 32 I CB 0.915 38.944 38.000 0.048 0.000 1.345 32 I HN 0.394 nan 8.210 nan 0.000 0.461 33 I N 5.330 125.942 120.570 0.069 0.000 2.474 33 I HA 0.168 4.338 4.170 0.000 0.000 0.287 33 I C -0.121 176.007 176.117 0.018 0.000 1.048 33 I CA 0.166 61.491 61.300 0.041 0.000 1.383 33 I CB 0.717 38.733 38.000 0.026 0.000 1.412 33 I HN 0.535 nan 8.210 nan 0.000 0.531 34 D N 5.983 126.390 120.400 0.012 0.000 2.375 34 D HA 0.181 4.821 4.640 0.000 0.000 0.259 34 D C 0.434 176.720 176.300 -0.023 0.000 1.235 34 D CA -0.521 53.475 54.000 -0.006 0.000 0.924 34 D CB 0.877 41.678 40.800 0.002 0.000 1.143 34 D HN 0.357 nan 8.370 nan 0.000 0.529 35 K N 1.583 121.967 120.400 -0.026 0.000 2.515 35 K HA -0.104 4.216 4.320 0.000 0.000 0.196 35 K C 1.183 177.760 176.600 -0.039 0.000 1.038 35 K CA 0.681 56.952 56.287 -0.026 0.000 0.967 35 K CB 0.423 32.912 32.500 -0.019 0.000 0.780 35 K HN 0.277 nan 8.250 nan 0.000 0.483 36 Q N 0.184 119.957 119.800 -0.045 0.000 2.398 36 Q HA 0.030 4.370 4.340 0.000 0.000 0.204 36 Q C -0.223 175.725 176.000 -0.086 0.000 0.932 36 Q CA 0.694 56.467 55.803 -0.052 0.000 0.916 36 Q CB 0.889 29.605 28.738 -0.037 0.000 1.024 36 Q HN 0.033 nan 8.270 nan 0.000 0.504 37 T N 0.510 114.993 114.554 -0.118 0.000 2.832 37 T HA 0.438 4.788 4.350 0.000 0.000 0.313 37 T C -0.773 173.700 174.700 -0.379 0.000 1.035 37 T CA -0.375 61.590 62.100 -0.226 0.000 0.950 37 T CB 0.941 69.693 68.868 -0.192 0.000 0.984 37 T HN -0.198 nan 8.240 nan 0.000 0.486 38 V N 4.459 124.143 119.914 -0.384 0.000 2.483 38 V HA 0.480 4.600 4.120 0.000 0.000 0.295 38 V C -0.582 175.242 176.094 -0.449 0.000 1.035 38 V CA -0.683 61.428 62.300 -0.314 0.000 0.896 38 V CB 0.922 32.672 31.823 -0.122 0.000 0.986 38 V HN 0.745 nan 8.190 nan 0.000 0.447 39 Y N 1.389 121.695 120.300 0.009 0.000 3.248 39 Y HA 0.364 4.914 4.550 0.000 0.000 0.373 39 Y C 0.966 176.895 175.900 0.050 0.000 1.239 39 Y CA -0.574 57.537 58.100 0.019 0.000 1.021 39 Y CB -0.067 38.383 38.460 -0.018 0.000 1.195 39 Y HN 0.546 nan 8.280 nan 0.000 0.890 40 Q N 2.085 122.050 119.800 0.275 0.000 2.394 40 Q HA 0.059 4.399 4.340 0.000 0.000 0.248 40 Q C -0.586 175.527 176.000 0.187 0.000 0.992 40 Q CA -0.293 55.629 55.803 0.197 0.000 0.888 40 Q CB 1.034 29.879 28.738 0.179 0.000 1.257 40 Q HN 0.674 nan 8.270 nan 0.000 0.462 41 E N 1.744 122.044 120.200 0.166 0.000 2.354 41 E HA 0.192 4.542 4.350 0.000 0.000 0.269 41 E C -0.541 176.161 176.600 0.169 0.000 1.036 41 E CA -0.658 55.840 56.400 0.163 0.000 0.876 41 E CB 0.685 30.474 29.700 0.149 0.000 1.009 41 E HN 0.498 nan 8.360 nan 0.000 0.416 42 I N 4.736 125.398 120.570 0.154 0.000 2.342 42 I HA 0.034 4.204 4.170 0.000 0.000 0.291 42 I C 0.566 176.729 176.117 0.076 0.000 1.010 42 I CA -0.030 61.325 61.300 0.092 0.000 1.308 42 I CB 1.044 39.103 38.000 0.098 0.000 1.400 42 I HN 0.689 nan 8.210 nan 0.000 0.488 43 D N 4.656 125.073 120.400 0.030 0.000 2.290 43 D HA 0.025 4.665 4.640 0.000 0.000 0.224 43 D C 0.377 176.620 176.300 -0.095 0.000 0.967 43 D CA 1.146 55.187 54.000 0.067 0.000 0.893 43 D CB 0.412 41.398 40.800 0.311 0.000 1.037 43 D HN 0.763 nan 8.370 nan 0.000 0.477 44 N N -1.634 116.865 118.700 -0.335 0.000 3.348 44 N HA 0.273 5.013 4.740 0.000 0.000 0.233 44 N C -1.905 173.283 175.510 -0.536 0.000 1.440 44 N CA -0.709 52.161 53.050 -0.300 0.000 0.887 44 N CB 0.487 38.804 38.487 -0.283 0.000 1.410 44 N HN -0.198 nan 8.380 nan 0.000 0.502 45 F N -0.375 119.498 119.950 -0.129 0.000 2.508 45 F HA 0.832 5.359 4.527 -0.000 0.000 0.325 45 F C 0.669 176.465 175.800 -0.006 0.000 1.090 45 F CA -0.455 57.515 58.000 -0.049 0.000 0.945 45 F CB 2.284 41.314 39.000 0.050 0.000 1.156 45 F HN 0.693 nan 8.300 nan 0.000 0.463 46 S N 1.429 117.221 115.700 0.153 0.000 2.688 46 S HA 0.957 5.427 4.470 0.000 0.000 0.275 46 S C -1.530 173.186 174.600 0.193 0.000 1.175 46 S CA -0.127 58.153 58.200 0.132 0.000 0.818 46 S CB 1.652 64.808 63.200 -0.073 0.000 1.157 46 S HN 1.140 nan 8.310 nan 0.000 0.482 47 A N 0.696 123.605 122.820 0.147 0.000 2.564 47 A HA 0.807 5.127 4.320 0.000 0.000 0.291 47 A C -1.018 176.309 177.584 -0.429 0.000 1.102 47 A CA -0.401 51.661 52.037 0.042 0.000 0.660 47 A CB 1.041 20.177 19.000 0.227 0.000 1.283 47 A HN 0.986 nan 8.150 nan 0.000 0.430 48 S N -0.444 114.908 115.700 -0.580 0.000 2.482 48 S HA 0.474 4.944 4.470 0.000 0.000 0.303 48 S C 0.043 174.051 174.600 -0.986 0.000 1.091 48 S CA 0.133 57.854 58.200 -0.798 0.000 1.057 48 S CB 1.084 63.922 63.200 -0.604 0.000 1.031 48 S HN 0.824 nan 8.310 nan 0.000 0.485 49 D N 3.282 123.067 120.400 -1.027 0.000 2.336 49 D HA 0.145 4.785 4.640 0.000 0.000 0.229 49 D C 0.706 176.760 176.300 -0.411 0.000 1.061 49 D CA -0.112 53.552 54.000 -0.560 0.000 0.875 49 D CB -0.384 40.278 40.800 -0.230 0.000 0.904 49 D HN 0.523 nan 8.370 nan 0.000 0.525 50 A N -0.031 122.462 122.820 -0.545 0.000 2.540 50 A HA 0.233 4.553 4.320 0.000 0.000 0.239 50 A C 0.555 177.920 177.584 -0.365 0.000 1.061 50 A CA 0.212 51.917 52.037 -0.553 0.000 0.758 50 A CB -0.240 18.180 19.000 -0.968 0.000 0.991 50 A HN 0.332 nan 8.150 nan 0.000 0.502 51 W N 0.365 121.628 121.300 -0.063 0.000 0.542 51 W HA -0.347 4.313 4.660 0.000 0.000 0.215 51 W C 1.739 178.405 176.519 0.244 0.000 0.917 51 W CA 1.981 59.378 57.345 0.086 0.000 0.358 51 W CB -1.641 27.864 29.460 0.074 0.000 1.905 51 W HN 0.846 nan 8.180 nan 0.000 1.157 52 R N -0.744 119.956 120.500 0.334 0.000 2.189 52 R HA 0.182 4.522 4.340 0.000 0.000 0.203 52 R C 1.825 178.268 176.300 0.239 0.000 1.012 52 R CA 1.207 57.531 56.100 0.373 0.000 1.015 52 R CB -0.712 29.620 30.300 0.053 0.000 0.938 52 R HN 0.192 nan 8.270 nan 0.000 0.472 53 C N 0.913 120.219 119.300 0.010 0.000 2.448 53 C HA 0.098 4.558 4.460 0.000 0.000 0.280 53 C C 2.807 177.873 174.990 0.126 0.000 1.398 53 C CA 0.548 59.509 59.018 -0.095 0.000 1.774 53 C CB -0.732 26.713 27.740 -0.491 0.000 1.888 53 C HN 0.550 nan 8.230 nan 0.000 0.519 54 A N 0.526 123.379 122.820 0.055 0.000 1.883 54 A HA -0.143 4.177 4.320 0.000 0.000 0.217 54 A C 1.763 179.256 177.584 -0.152 0.000 1.186 54 A CA 1.677 53.654 52.037 -0.099 0.000 0.624 54 A CB -0.724 18.075 19.000 -0.336 0.000 0.822 54 A HN 0.506 nan 8.150 nan 0.000 0.444 55 F N -0.160 119.827 119.950 0.063 0.000 2.098 55 F HA -0.036 4.491 4.527 0.000 0.000 0.294 55 F C 2.202 178.032 175.800 0.050 0.000 1.107 55 F CA 1.244 59.268 58.000 0.040 0.000 1.234 55 F CB -0.565 38.440 39.000 0.009 0.000 1.002 55 F HN 0.086 nan 8.300 nan 0.000 0.472 56 I N 0.076 120.694 120.570 0.080 0.000 2.118 56 I HA -0.283 3.887 4.170 0.000 0.000 0.241 56 I C 2.691 178.797 176.117 -0.018 0.000 1.070 56 I CA 1.800 62.911 61.300 -0.315 0.000 1.327 56 I CB -1.170 36.568 38.000 -0.437 0.000 1.034 56 I HN 0.237 nan 8.210 nan 0.000 0.405 57 G N -0.111 108.810 108.800 0.201 0.000 2.484 57 G HA2 -0.191 3.769 3.960 0.000 0.000 0.218 57 G HA3 -0.191 3.769 3.960 0.000 0.000 0.218 57 G C 1.726 176.542 174.900 -0.140 0.000 1.130 57 G CA 0.376 45.486 45.100 0.017 0.000 0.784 57 G HN 0.297 nan 8.290 nan 0.000 0.543 58 K N -0.395 120.006 120.400 0.001 0.000 2.168 58 K HA 0.073 4.393 4.320 0.000 0.000 0.201 58 K C 1.811 178.432 176.600 0.035 0.000 1.049 58 K CA 0.524 56.814 56.287 0.005 0.000 0.974 58 K CB 0.167 32.675 32.500 0.014 0.000 0.792 58 K HN 0.100 nan 8.250 nan 0.000 0.463 59 N N -0.639 118.153 118.700 0.153 0.000 2.499 59 N HA -0.013 4.727 4.740 0.000 0.000 0.182 59 N C -0.212 175.479 175.510 0.301 0.000 1.034 59 N CA 0.285 53.497 53.050 0.271 0.000 0.882 59 N CB -0.045 38.710 38.487 0.446 0.000 1.125 59 N HN 0.031 nan 8.380 nan 0.000 0.436 60 W N 2.905 124.200 121.300 -0.008 0.000 2.170 60 W HA 0.241 4.901 4.660 -0.000 0.000 0.342 60 W C -1.837 174.629 176.519 -0.089 0.000 1.294 60 W CA -1.495 55.838 57.345 -0.021 0.000 1.246 60 W CB -0.750 28.705 29.460 -0.008 0.000 1.156 60 W HN -0.038 nan 8.180 nan 0.000 0.572 61 P HA -0.122 nan 4.420 nan 0.000 0.265 61 P C 0.688 177.998 177.300 0.017 0.000 1.187 61 P CA 0.204 63.316 63.100 0.020 0.000 0.766 61 P CB 0.657 32.351 31.700 -0.011 0.000 0.820 62 Q N 2.827 122.614 119.800 -0.021 0.000 2.062 62 Q HA -0.272 4.068 4.340 0.000 0.000 0.209 62 Q C 1.598 177.613 176.000 0.024 0.000 0.996 62 Q CA 2.088 57.871 55.803 -0.033 0.000 0.859 62 Q CB -0.496 28.246 28.738 0.006 0.000 0.920 62 Q HN 0.482 nan 8.270 nan 0.000 0.415 63 E N -0.378 119.850 120.200 0.047 0.000 2.118 63 E HA -0.212 4.138 4.350 0.000 0.000 0.195 63 E C 1.936 178.595 176.600 0.098 0.000 0.992 63 E CA 1.232 57.674 56.400 0.070 0.000 0.804 63 E CB -0.046 29.687 29.700 0.056 0.000 0.741 63 E HN 0.314 nan 8.360 nan 0.000 0.458 64 K N 1.132 121.607 120.400 0.125 0.000 2.025 64 K HA -0.100 4.220 4.320 0.000 0.000 0.207 64 K C 2.082 178.807 176.600 0.208 0.000 1.049 64 K CA 0.885 57.304 56.287 0.221 0.000 0.933 64 K CB -0.286 32.438 32.500 0.373 0.000 0.714 64 K HN 0.026 nan 8.250 nan 0.000 0.438 65 K N 1.315 121.781 120.400 0.111 0.000 2.032 65 K HA -0.147 4.173 4.320 0.000 0.000 0.209 65 K C 2.063 178.746 176.600 0.138 0.000 1.048 65 K CA 1.478 57.725 56.287 -0.068 0.000 0.927 65 K CB 0.006 32.105 32.500 -0.667 0.000 0.712 65 K HN 0.201 nan 8.250 nan 0.000 0.441 66 E N 0.660 120.975 120.200 0.191 0.000 2.153 66 E HA -0.230 4.120 4.350 0.000 0.000 0.194 66 E C 1.960 178.649 176.600 0.149 0.000 0.988 66 E CA 1.075 57.619 56.400 0.239 0.000 0.811 66 E CB -0.021 29.793 29.700 0.190 0.000 0.746 66 E HN 0.169 nan 8.360 nan 0.000 0.466 67 K N 1.588 122.063 120.400 0.125 0.000 2.062 67 K HA -0.062 4.258 4.320 0.000 0.000 0.205 67 K C 1.984 178.627 176.600 0.072 0.000 1.051 67 K CA 0.772 57.117 56.287 0.096 0.000 0.941 67 K CB -0.247 32.315 32.500 0.103 0.000 0.719 67 K HN 0.026 nan 8.250 nan 0.000 0.440 68 I N 0.853 121.479 120.570 0.093 0.000 2.179 68 I HA -0.256 3.914 4.170 0.000 0.000 0.242 68 I C 2.351 178.477 176.117 0.015 0.000 1.088 68 I CA 1.311 62.647 61.300 0.060 0.000 1.357 68 I CB -0.444 37.629 38.000 0.121 0.000 1.051 68 I HN 0.293 nan 8.210 nan 0.000 0.409 69 A N 0.396 123.271 122.820 0.091 0.000 1.933 69 A HA -0.232 4.088 4.320 0.000 0.000 0.218 69 A C 1.952 179.532 177.584 -0.008 0.000 1.175 69 A CA 2.018 54.091 52.037 0.061 0.000 0.628 69 A CB -0.563 18.507 19.000 0.117 0.000 0.814 69 A HN 0.354 nan 8.150 nan 0.000 0.444 70 D N 0.185 120.597 120.400 0.020 0.000 2.097 70 D HA -0.117 4.524 4.640 0.000 0.000 0.195 70 D C 1.933 178.199 176.300 -0.055 0.000 0.989 70 D CA 1.098 55.104 54.000 0.010 0.000 0.827 70 D CB -0.417 40.406 40.800 0.039 0.000 0.966 70 D HN 0.454 nan 8.370 nan 0.000 0.456 71 L N 0.266 121.434 121.223 -0.091 0.000 2.127 71 L HA -0.155 4.185 4.340 0.000 0.000 0.211 71 L C 2.476 179.177 176.870 -0.282 0.000 1.089 71 L CA 0.719 55.459 54.840 -0.166 0.000 0.757 71 L CB -0.264 41.691 42.059 -0.173 0.000 0.899 71 L HN 0.048 nan 8.230 nan 0.000 0.434 72 L N -2.218 118.739 121.223 -0.443 0.000 2.127 72 L HA -0.054 4.286 4.340 0.000 0.000 0.203 72 L C 1.825 178.304 176.870 -0.650 0.000 1.080 72 L CA 0.972 55.356 54.840 -0.759 0.000 0.768 72 L CB -0.144 41.019 42.059 -1.493 0.000 0.924 72 L HN 0.165 nan 8.230 nan 0.000 0.444 73 F N -1.391 118.500 119.950 -0.099 0.000 2.747 73 F HA 0.235 4.762 4.527 0.000 0.000 0.305 73 F C 1.093 176.833 175.800 -0.101 0.000 1.065 73 F CA -0.755 57.179 58.000 -0.110 0.000 1.230 73 F CB 0.079 38.988 39.000 -0.151 0.000 1.027 73 F HN -0.251 nan 8.300 nan 0.000 0.607 74 K N 2.496 122.940 120.400 0.075 0.000 2.349 74 K HA 0.115 4.435 4.320 0.000 0.000 0.289 74 K C 0.322 176.912 176.600 -0.015 0.000 1.064 74 K CA -0.301 56.002 56.287 0.027 0.000 0.947 74 K CB 0.452 32.971 32.500 0.031 0.000 1.007 74 K HN -0.150 nan 8.250 nan 0.000 0.478 75 R N 5.080 125.510 120.500 -0.117 0.000 3.235 75 R HA 0.094 4.434 4.340 0.000 0.000 0.232 75 R C -0.949 175.202 176.300 -0.248 0.000 1.475 75 R CA 0.233 56.132 56.100 -0.334 0.000 1.405 75 R CB -0.047 29.951 30.300 -0.504 0.000 1.266 75 R HN 0.716 nan 8.270 nan 0.000 0.650 76 E N 1.977 122.148 120.200 -0.049 0.000 2.408 76 E HA 0.292 4.642 4.350 0.000 0.000 0.275 76 E C -0.926 175.584 176.600 -0.151 0.000 0.935 76 E CA -0.824 55.539 56.400 -0.062 0.000 0.775 76 E CB 1.704 31.419 29.700 0.025 0.000 1.277 76 E HN 0.100 nan 8.360 nan 0.000 0.455 77 F N 1.242 121.285 119.950 0.154 0.000 2.425 77 F HA 0.162 4.689 4.527 0.000 0.000 0.331 77 F C 1.170 176.998 175.800 0.046 0.000 1.085 77 F CA -0.820 57.217 58.000 0.061 0.000 1.028 77 F CB 0.740 39.767 39.000 0.046 0.000 1.177 77 F HN 0.365 nan 8.300 nan 0.000 0.487 78 D N 1.142 121.667 120.400 0.209 0.000 2.314 78 D HA 0.172 4.812 4.640 0.000 0.000 0.252 78 D C 1.297 177.677 176.300 0.133 0.000 1.295 78 D CA 0.350 54.433 54.000 0.139 0.000 0.995 78 D CB -0.280 40.578 40.800 0.095 0.000 1.125 78 D HN 0.634 nan 8.370 nan 0.000 0.537 79 E N -0.915 119.341 120.200 0.092 0.000 2.058 79 E HA -0.104 4.246 4.350 0.000 0.000 0.194 79 E C 2.134 178.777 176.600 0.073 0.000 0.997 79 E CA 2.628 59.072 56.400 0.073 0.000 0.801 79 E CB -1.390 28.343 29.700 0.055 0.000 0.746 79 E HN 0.732 nan 8.360 nan 0.000 0.450 80 K N -0.283 120.165 120.400 0.081 0.000 2.504 80 K HA 0.485 4.805 4.320 0.000 0.000 0.199 80 K C 1.791 178.479 176.600 0.146 0.000 1.028 80 K CA 1.050 57.394 56.287 0.095 0.000 1.164 80 K CB -1.070 31.474 32.500 0.074 0.000 0.877 80 K HN 1.553 nan 8.250 nan 0.000 0.508 81 G N 0.693 109.562 108.800 0.115 0.000 2.159 81 G HA2 -0.224 3.736 3.960 0.000 0.000 0.256 81 G HA3 -0.224 3.736 3.960 0.000 0.000 0.256 81 G C -0.159 174.866 174.900 0.209 0.000 0.977 81 G CA 0.014 45.125 45.100 0.019 0.000 0.652 81 G HN 0.618 nan 8.290 nan 0.000 0.531 82 N N 1.669 120.524 118.700 0.259 0.000 2.488 82 N HA 0.376 5.116 4.740 0.000 0.000 0.274 82 N C -2.785 172.814 175.510 0.149 0.000 1.111 82 N CA -1.141 52.056 53.050 0.245 0.000 0.974 82 N CB 1.066 39.604 38.487 0.086 0.000 1.089 82 N HN 0.076 nan 8.380 nan 0.000 0.465 83 P HA 0.015 nan 4.420 nan 0.000 0.264 83 P C 1.076 178.197 177.300 -0.299 0.000 1.193 83 P CA 0.022 62.607 63.100 -0.859 0.000 0.763 83 P CB 0.360 31.086 31.700 -1.624 0.000 0.810 84 I N 0.674 121.140 120.570 -0.174 0.000 3.111 84 I HA 0.282 4.452 4.170 0.000 0.000 0.272 84 I C 0.849 177.064 176.117 0.162 0.000 1.268 84 I CA 0.553 61.894 61.300 0.068 0.000 1.467 84 I CB -0.240 37.797 38.000 0.061 0.000 1.087 84 I HN 0.384 nan 8.210 nan 0.000 0.467 85 G N 0.370 109.204 108.800 0.056 0.000 2.364 85 G HA2 0.216 4.176 3.960 0.000 0.000 0.286 85 G HA3 0.216 4.176 3.960 0.000 0.000 0.286 85 G C -0.126 174.717 174.900 -0.096 0.000 1.241 85 G CA -0.334 44.692 45.100 -0.123 0.000 0.887 85 G HN 0.010 nan 8.290 nan 0.000 0.484 86 M N 0.632 120.127 119.600 -0.175 0.000 2.319 86 M HA 0.261 4.741 4.480 0.000 0.000 0.265 86 M C 1.853 178.162 176.300 0.015 0.000 1.068 86 M CA 1.449 56.702 55.300 -0.078 0.000 1.118 86 M CB -0.199 32.343 32.600 -0.098 0.000 1.395 86 M HN 1.588 nan 8.290 nan 0.000 0.435 87 A N 1.782 124.606 122.820 0.007 0.000 2.511 87 A HA -0.181 4.139 4.320 0.000 0.000 0.297 87 A C 0.125 177.711 177.584 0.003 0.000 1.476 87 A CA 0.233 52.253 52.037 -0.029 0.000 0.757 87 A CB -2.528 16.359 19.000 -0.189 0.000 1.072 87 A HN 0.503 nan 8.150 nan 0.000 0.413 88 L N -0.670 120.602 121.223 0.081 0.000 2.516 88 L HA 0.152 4.492 4.340 0.000 0.000 0.288 88 L C 1.714 178.696 176.870 0.188 0.000 1.246 88 L CA 0.917 55.870 54.840 0.188 0.000 0.844 88 L CB 0.268 42.494 42.059 0.279 0.000 1.106 88 L HN 0.760 nan 8.230 nan 0.000 0.509 89 T N -2.649 111.997 114.554 0.153 0.000 3.091 89 T HA 0.228 4.578 4.350 0.000 0.000 0.277 89 T C 0.026 174.741 174.700 0.024 0.000 0.996 89 T CA -0.490 61.649 62.100 0.065 0.000 0.897 89 T CB -0.155 68.741 68.868 0.048 0.000 1.109 89 T HN 0.594 nan 8.240 nan 0.000 0.534 90 N N -0.088 118.657 118.700 0.074 0.000 2.416 90 N HA 0.494 5.234 4.740 0.000 0.000 0.276 90 N C -2.307 173.360 175.510 0.261 0.000 1.261 90 N CA -0.812 52.270 53.050 0.053 0.000 0.790 90 N CB 1.854 40.309 38.487 -0.054 0.000 1.554 90 N HN 0.345 nan 8.380 nan 0.000 0.481 91 W N 3.381 124.687 121.300 0.010 0.000 2.900 91 W HA 0.472 5.132 4.660 -0.000 0.000 0.336 91 W C -1.209 175.467 176.519 0.262 0.000 1.064 91 W CA -0.625 56.827 57.345 0.178 0.000 1.237 91 W CB 1.397 31.005 29.460 0.248 0.000 1.391 91 W HN 0.498 nan 8.180 nan 0.000 0.468 92 R N 4.126 124.450 120.500 -0.295 0.000 2.202 92 R HA 0.379 4.719 4.340 0.000 0.000 0.334 92 R C -0.518 175.686 176.300 -0.160 0.000 1.036 92 R CA -0.543 55.497 56.100 -0.101 0.000 0.878 92 R CB 1.701 31.892 30.300 -0.181 0.000 1.067 92 R HN 0.145 nan 8.270 nan 0.000 0.457 93 V N 3.538 123.529 119.914 0.128 0.000 2.370 93 V HA 0.115 4.235 4.120 0.000 0.000 0.279 93 V C 0.420 176.250 176.094 -0.440 0.000 1.029 93 V CA -0.774 61.467 62.300 -0.098 0.000 0.870 93 V CB 1.298 33.088 31.823 -0.055 0.000 0.984 93 V HN 0.767 nan 8.190 nan 0.000 0.451 94 N N 5.309 123.590 118.700 -0.699 0.000 2.415 94 N HA 0.156 4.896 4.740 0.000 0.000 0.250 94 N C -0.429 174.669 175.510 -0.686 0.000 1.127 94 N CA -0.817 51.538 53.050 -1.159 0.000 0.945 94 N CB 0.370 38.398 38.487 -0.765 0.000 1.196 94 N HN 0.465 nan 8.380 nan 0.000 0.499 95 I N 2.966 123.150 120.570 -0.643 0.000 2.517 95 I HA 0.067 4.237 4.170 0.000 0.000 0.285 95 I C 1.582 177.548 176.117 -0.253 0.000 1.106 95 I CA -0.036 61.010 61.300 -0.423 0.000 1.402 95 I CB -0.119 37.707 38.000 -0.290 0.000 1.399 95 I HN 0.464 nan 8.210 nan 0.000 0.535 96 G N 4.517 113.148 108.800 -0.280 0.000 2.527 96 G HA2 0.379 4.339 3.960 0.000 0.000 0.248 96 G HA3 0.379 4.339 3.960 0.000 0.000 0.248 96 G C 0.460 175.306 174.900 -0.091 0.000 1.231 96 G CA 0.013 44.998 45.100 -0.191 0.000 0.838 96 G HN 0.807 nan 8.290 nan 0.000 0.570 97 A N -0.065 122.701 122.820 -0.090 0.000 2.431 97 A HA 0.547 4.867 4.320 0.000 0.000 0.239 97 A C 1.663 179.224 177.584 -0.038 0.000 1.230 97 A CA 1.004 52.959 52.037 -0.136 0.000 0.928 97 A CB -0.104 18.808 19.000 -0.146 0.000 1.006 97 A HN 2.352 nan 8.150 nan 0.000 0.520 98 G N 0.367 109.184 108.800 0.029 0.000 2.137 98 G HA2 -0.279 3.681 3.960 0.000 0.000 0.237 98 G HA3 -0.279 3.681 3.960 0.000 0.000 0.237 98 G C 1.077 175.986 174.900 0.016 0.000 1.002 98 G CA 1.066 46.261 45.100 0.159 0.000 0.702 98 G HN 1.286 nan 8.290 nan 0.000 0.515 99 S N -1.214 114.471 115.700 -0.025 0.000 2.420 99 S HA -0.241 4.229 4.470 0.000 0.000 0.237 99 S C 1.862 176.414 174.600 -0.080 0.000 1.023 99 S CA 1.783 59.926 58.200 -0.096 0.000 0.991 99 S CB -0.380 62.789 63.200 -0.052 0.000 0.792 99 S HN 1.026 nan 8.310 nan 0.000 0.488 100 Y N 2.625 122.853 120.300 -0.120 0.000 2.133 100 Y HA -0.067 4.483 4.550 0.000 0.000 0.287 100 Y C 2.240 178.067 175.900 -0.122 0.000 1.134 100 Y CA 1.999 60.036 58.100 -0.104 0.000 1.133 100 Y CB -0.564 37.848 38.460 -0.079 0.000 0.987 100 Y HN 0.196 nan 8.280 nan 0.000 0.502 101 E N 0.032 120.184 120.200 -0.080 0.000 2.153 101 E HA -0.206 4.144 4.350 0.000 0.000 0.194 101 E C 1.555 177.947 176.600 -0.348 0.000 0.988 101 E CA 1.420 57.715 56.400 -0.176 0.000 0.811 101 E CB -0.345 29.386 29.700 0.051 0.000 0.746 101 E HN 0.341 nan 8.360 nan 0.000 0.466 102 N N 0.555 118.934 118.700 -0.536 0.000 2.383 102 N HA -0.037 4.703 4.740 0.000 0.000 0.192 102 N C 0.963 176.242 175.510 -0.385 0.000 1.141 102 N CA 0.029 52.675 53.050 -0.672 0.000 0.851 102 N CB 0.032 37.771 38.487 -1.248 0.000 0.976 102 N HN 0.179 nan 8.380 nan 0.000 0.465 103 R N -0.061 120.245 120.500 -0.324 0.000 2.241 103 R HA -0.041 4.299 4.340 0.000 0.000 0.224 103 R C 0.809 177.001 176.300 -0.180 0.000 1.101 103 R CA 1.118 57.076 56.100 -0.236 0.000 0.995 103 R CB -0.334 29.817 30.300 -0.248 0.000 0.870 103 R HN 0.327 nan 8.270 nan 0.000 0.463 104 E N 1.139 121.230 120.200 -0.182 0.000 2.274 104 E HA 0.000 4.351 4.350 0.000 0.000 0.194 104 E C 0.931 177.467 176.600 -0.106 0.000 0.996 104 E CA 0.581 56.904 56.400 -0.128 0.000 0.840 104 E CB 0.114 29.744 29.700 -0.117 0.000 0.772 104 E HN 0.505 nan 8.360 nan 0.000 0.491 105 A N 1.600 124.343 122.820 -0.128 0.000 2.296 105 A HA 0.130 4.450 4.320 0.000 0.000 0.276 105 A C 0.129 177.669 177.584 -0.073 0.000 1.356 105 A CA -0.224 51.757 52.037 -0.094 0.000 0.825 105 A CB 0.201 19.137 19.000 -0.107 0.000 1.308 105 A HN -0.049 nan 8.150 nan 0.000 0.515 106 K N 1.038 121.409 120.400 -0.048 0.000 2.127 106 K HA 0.207 4.527 4.320 0.000 0.000 0.261 106 K C -0.437 176.144 176.600 -0.031 0.000 1.129 106 K CA 0.207 56.477 56.287 -0.029 0.000 0.993 106 K CB 0.057 32.552 32.500 -0.008 0.000 1.410 106 K HN 0.465 nan 8.250 nan 0.000 0.380 107 E N 0.589 120.762 120.200 -0.046 0.000 2.428 107 E HA 0.267 4.617 4.350 0.000 0.000 0.259 107 E C -0.387 176.190 176.600 -0.038 0.000 0.930 107 E CA -1.056 55.309 56.400 -0.058 0.000 0.823 107 E CB 1.599 31.233 29.700 -0.111 0.000 1.403 107 E HN -0.000 nan 8.360 nan 0.000 0.415 108 V N 2.632 122.518 119.914 -0.047 0.000 2.681 108 V HA -0.168 3.952 4.120 0.000 0.000 0.306 108 V C 0.956 177.017 176.094 -0.055 0.000 1.077 108 V CA 1.138 63.406 62.300 -0.054 0.000 1.224 108 V CB -0.166 31.604 31.823 -0.088 0.000 0.879 108 V HN 0.629 nan 8.190 nan 0.000 0.494 109 D N 2.417 122.794 120.400 -0.037 0.000 2.325 109 D HA 0.083 4.723 4.640 0.000 0.000 0.225 109 D C 0.154 176.445 176.300 -0.015 0.000 1.096 109 D CA -0.200 53.795 54.000 -0.008 0.000 0.844 109 D CB -0.274 40.549 40.800 0.039 0.000 0.925 109 D HN 0.793 nan 8.370 nan 0.000 0.513 110 N N -2.156 116.506 118.700 -0.063 0.000 2.494 110 N HA 0.217 4.957 4.740 0.000 0.000 0.270 110 N C 0.362 175.838 175.510 -0.055 0.000 1.285 110 N CA -0.427 52.593 53.050 -0.050 0.000 0.812 110 N CB 1.394 39.856 38.487 -0.042 0.000 1.557 110 N HN -0.173 nan 8.380 nan 0.000 0.487 111 S N -0.944 114.725 115.700 -0.051 0.000 2.436 111 S HA -0.060 4.410 4.470 0.000 0.000 0.228 111 S C 0.869 175.476 174.600 0.013 0.000 1.014 111 S CA 0.117 58.295 58.200 -0.037 0.000 0.950 111 S CB -0.714 62.414 63.200 -0.121 0.000 0.784 111 S HN 0.696 nan 8.310 nan 0.000 0.504 112 W N 2.443 123.671 121.300 -0.120 0.000 2.381 112 W HA 0.116 4.776 4.660 -0.000 0.000 0.301 112 W C 1.767 178.249 176.519 -0.063 0.000 1.205 112 W CA 0.595 57.880 57.345 -0.100 0.000 1.285 112 W CB -0.190 29.124 29.460 -0.244 0.000 1.133 112 W HN 0.328 nan 8.180 nan 0.000 0.521 113 N N -0.344 118.259 118.700 -0.162 0.000 2.236 113 N HA 0.086 4.826 4.740 0.000 0.000 0.196 113 N C 0.037 175.435 175.510 -0.187 0.000 1.114 113 N CA 0.161 52.870 53.050 -0.570 0.000 0.859 113 N CB -0.104 37.581 38.487 -1.336 0.000 0.982 113 N HN 0.021 nan 8.380 nan 0.000 0.493 114 R N 0.601 121.079 120.500 -0.037 0.000 2.641 114 R HA 0.239 4.579 4.340 0.000 0.000 0.269 114 R C 0.425 176.756 176.300 0.051 0.000 1.074 114 R CA 0.341 56.461 56.100 0.034 0.000 1.133 114 R CB 0.440 30.809 30.300 0.114 0.000 1.029 114 R HN 0.097 nan 8.270 nan 0.000 0.488 115 T N -1.490 113.084 114.554 0.034 0.000 2.900 115 T HA 0.329 4.679 4.350 0.000 0.000 0.295 115 T C -0.261 174.426 174.700 -0.021 0.000 1.044 115 T CA -1.149 60.932 62.100 -0.031 0.000 0.995 115 T CB 1.816 70.654 68.868 -0.050 0.000 1.072 115 T HN 0.463 nan 8.240 nan 0.000 0.473 116 E N 0.101 120.234 120.200 -0.112 0.000 2.376 116 E HA 0.467 4.817 4.350 0.000 0.000 0.254 116 E C -0.573 175.950 176.600 -0.129 0.000 1.213 116 E CA -0.785 55.570 56.400 -0.074 0.000 0.945 116 E CB 0.916 30.533 29.700 -0.138 0.000 1.057 116 E HN 0.700 nan 8.360 nan 0.000 0.479 117 C N 1.683 120.939 119.300 -0.073 0.000 2.431 117 C HA 0.317 4.777 4.460 0.000 0.000 0.321 117 C C 0.858 175.827 174.990 -0.035 0.000 1.202 117 C CA -0.680 58.276 59.018 -0.104 0.000 1.398 117 C CB -0.705 27.008 27.740 -0.045 0.000 2.047 117 C HN 0.749 nan 8.230 nan 0.000 0.465 118 F N 3.076 123.103 119.950 0.129 0.000 2.202 118 F HA 0.042 4.569 4.527 0.000 0.000 0.301 118 F C 1.062 176.734 175.800 -0.213 0.000 1.082 118 F CA 0.900 58.881 58.000 -0.031 0.000 1.313 118 F CB -0.461 38.539 39.000 0.001 0.000 1.024 118 F HN 0.435 nan 8.300 nan 0.000 0.495 119 L N 0.239 121.442 121.223 -0.033 0.000 2.289 119 L HA 0.406 4.746 4.340 0.000 0.000 0.285 119 L C 0.283 177.066 176.870 -0.146 0.000 1.049 119 L CA -0.583 54.025 54.840 -0.387 0.000 0.804 119 L CB 0.948 42.719 42.059 -0.479 0.000 1.195 119 L HN 0.042 nan 8.230 nan 0.000 0.428 120 S N 3.904 119.410 115.700 -0.323 0.000 2.718 120 S HA 0.667 5.137 4.470 0.000 0.000 0.300 120 S C -2.107 171.837 174.600 -1.094 0.000 1.117 120 S CA -1.256 56.646 58.200 -0.497 0.000 1.002 120 S CB 1.325 64.364 63.200 -0.268 0.000 1.092 120 S HN 0.556 nan 8.310 nan 0.000 0.542 121 P HA -0.088 nan 4.420 nan 0.000 0.219 121 P C 0.638 177.556 177.300 -0.637 0.000 1.146 121 P CA 1.348 63.637 63.100 -1.350 0.000 0.808 121 P CB -0.233 30.999 31.700 -0.780 0.000 0.779 122 D N -1.743 118.401 120.400 -0.426 0.000 2.349 122 D HA 0.067 4.707 4.640 0.000 0.000 0.224 122 D C 1.397 177.582 176.300 -0.191 0.000 1.029 122 D CA 0.627 54.482 54.000 -0.242 0.000 0.879 122 D CB -0.938 39.764 40.800 -0.164 0.000 0.906 122 D HN 0.233 nan 8.370 nan 0.000 0.528 123 G N -0.172 108.477 108.800 -0.252 0.000 2.175 123 G HA2 -0.245 3.715 3.960 0.000 0.000 0.244 123 G HA3 -0.245 3.715 3.960 0.000 0.000 0.244 123 G C 0.126 174.978 174.900 -0.080 0.000 0.982 123 G CA -0.066 44.951 45.100 -0.139 0.000 0.641 123 G HN 0.315 nan 8.290 nan 0.000 0.527 124 K N 0.015 120.344 120.400 -0.119 0.000 2.185 124 K HA 0.580 4.900 4.320 0.000 0.000 0.271 124 K C -0.360 176.174 176.600 -0.109 0.000 1.013 124 K CA -0.483 55.783 56.287 -0.036 0.000 0.943 124 K CB 0.703 33.181 32.500 -0.036 0.000 0.998 124 K HN 0.226 nan 8.250 nan 0.000 0.468 125 Y N 0.184 120.430 120.300 -0.089 0.000 2.361 125 Y HA 0.190 4.740 4.550 0.000 0.000 0.332 125 Y C 0.232 175.971 175.900 -0.268 0.000 1.101 125 Y CA -0.472 57.486 58.100 -0.237 0.000 1.137 125 Y CB 1.471 39.691 38.460 -0.400 0.000 1.207 125 Y HN 0.454 nan 8.280 nan 0.000 0.463 126 D N 2.401 122.692 120.400 -0.181 0.000 2.389 126 D HA 0.198 4.838 4.640 0.000 0.000 0.256 126 D C -0.788 175.447 176.300 -0.109 0.000 1.239 126 D CA -0.375 53.570 54.000 -0.091 0.000 0.925 126 D CB 0.194 41.002 40.800 0.013 0.000 1.145 126 D HN 0.330 nan 8.370 nan 0.000 0.542 127 F N 1.119 121.050 119.950 -0.031 0.000 2.773 127 F HA 0.046 4.573 4.527 0.000 0.000 0.304 127 F C 2.466 178.275 175.800 0.016 0.000 1.129 127 F CA 0.435 58.278 58.000 -0.261 0.000 1.378 127 F CB 0.077 38.538 39.000 -0.898 0.000 1.095 127 F HN 0.348 nan 8.300 nan 0.000 0.565 128 T N -3.111 111.576 114.554 0.223 0.000 3.113 128 T HA 0.058 4.408 4.350 0.000 0.000 0.256 128 T C 0.914 175.757 174.700 0.239 0.000 1.131 128 T CA 0.066 62.293 62.100 0.212 0.000 1.074 128 T CB -0.175 68.777 68.868 0.141 0.000 0.944 128 T HN 0.036 nan 8.240 nan 0.000 0.516 129 K N 1.194 121.779 120.400 0.308 0.000 2.120 129 K HA 0.259 4.579 4.320 0.000 0.000 0.245 129 K C 0.237 177.011 176.600 0.291 0.000 1.024 129 K CA -0.487 55.938 56.287 0.231 0.000 0.906 129 K CB 0.151 32.747 32.500 0.161 0.000 1.051 129 K HN 0.214 nan 8.250 nan 0.000 0.491 130 Q N -0.952 118.881 119.800 0.055 0.000 2.453 130 Q HA -0.289 4.051 4.340 0.000 0.000 0.294 130 Q C 0.659 176.734 176.000 0.125 0.000 1.295 130 Q CA 0.364 56.175 55.803 0.014 0.000 0.853 130 Q CB -1.890 26.809 28.738 -0.065 0.000 1.193 130 Q HN 0.790 nan 8.270 nan 0.000 0.461 131 A N 0.082 122.968 122.820 0.110 0.000 1.908 131 A HA -0.118 4.202 4.320 0.000 0.000 0.218 131 A C 2.100 179.791 177.584 0.179 0.000 1.181 131 A CA 1.947 54.077 52.037 0.155 0.000 0.627 131 A CB -0.725 18.345 19.000 0.116 0.000 0.818 131 A HN 0.692 nan 8.150 nan 0.000 0.445 132 G N -1.021 107.851 108.800 0.121 0.000 2.421 132 G HA2 -0.235 3.725 3.960 0.000 0.000 0.216 132 G HA3 -0.235 3.725 3.960 0.000 0.000 0.216 132 G C 1.608 176.724 174.900 0.360 0.000 1.171 132 G CA 1.031 46.247 45.100 0.193 0.000 0.775 132 G HN 0.635 nan 8.290 nan 0.000 0.543 133 Q N -0.294 119.642 119.800 0.227 0.000 2.172 133 Q HA -0.036 4.304 4.340 0.000 0.000 0.200 133 Q C 2.744 178.858 176.000 0.189 0.000 0.964 133 Q CA 0.964 56.908 55.803 0.235 0.000 0.855 133 Q CB -0.059 28.703 28.738 0.040 0.000 0.918 133 Q HN 0.584 nan 8.270 nan 0.000 0.444 134 Q N -0.732 119.153 119.800 0.142 0.000 2.119 134 Q HA -0.187 4.153 4.340 0.000 0.000 0.201 134 Q C 1.608 177.660 176.000 0.087 0.000 0.972 134 Q CA 1.025 56.860 55.803 0.053 0.000 0.847 134 Q CB -0.204 28.649 28.738 0.192 0.000 0.903 134 Q HN 0.454 nan 8.270 nan 0.000 0.433 135 W N 0.710 122.046 121.300 0.061 0.000 2.335 135 W HA -0.226 4.434 4.660 0.000 0.000 0.311 135 W C 1.515 177.996 176.519 -0.063 0.000 1.213 135 W CA 1.511 58.855 57.345 -0.001 0.000 1.274 135 W CB -0.354 29.082 29.460 -0.039 0.000 1.148 135 W HN 0.035 nan 8.180 nan 0.000 0.498 136 F N 0.035 120.097 119.950 0.187 0.000 2.161 136 F HA -0.277 4.250 4.527 0.000 0.000 0.300 136 F C 2.471 178.116 175.800 -0.259 0.000 1.089 136 F CA 2.029 60.026 58.000 -0.004 0.000 1.282 136 F CB -0.719 38.420 39.000 0.231 0.000 1.010 136 F HN -0.164 nan 8.300 nan 0.000 0.485 137 M N 0.099 119.645 119.600 -0.091 0.000 2.132 137 M HA -0.184 4.296 4.480 0.000 0.000 0.263 137 M C 2.617 178.832 176.300 -0.142 0.000 1.065 137 M CA 2.165 57.258 55.300 -0.346 0.000 1.122 137 M CB -0.758 31.171 32.600 -1.119 0.000 1.365 137 M HN 0.087 nan 8.290 nan 0.000 0.411 138 K N 0.649 120.954 120.400 -0.158 0.000 2.057 138 K HA 0.034 4.354 4.320 0.000 0.000 0.207 138 K C 2.094 178.499 176.600 -0.324 0.000 1.049 138 K CA 1.748 57.996 56.287 -0.065 0.000 0.931 138 K CB -1.475 30.933 32.500 -0.153 0.000 0.714 138 K HN 0.502 nan 8.250 nan 0.000 0.440 139 A N 0.990 123.403 122.820 -0.678 0.000 1.898 139 A HA 0.275 4.595 4.320 0.000 0.000 0.216 139 A C 2.807 180.149 177.584 -0.404 0.000 1.181 139 A CA 2.045 53.654 52.037 -0.714 0.000 0.620 139 A CB -0.870 17.409 19.000 -1.202 0.000 0.819 139 A HN 0.901 nan 8.150 nan 0.000 0.442 140 A N -0.252 122.250 122.820 -0.531 0.000 1.883 140 A HA -0.210 4.110 4.320 0.000 0.000 0.217 140 A C 2.277 179.630 177.584 -0.384 0.000 1.186 140 A CA 1.890 53.408 52.037 -0.864 0.000 0.624 140 A CB -0.527 17.630 19.000 -1.405 0.000 0.822 140 A HN 0.551 nan 8.150 nan 0.000 0.444 141 R N -0.483 119.937 120.500 -0.132 0.000 2.081 141 R HA -0.146 4.194 4.340 0.000 0.000 0.235 141 R C 2.167 178.396 176.300 -0.118 0.000 1.131 141 R CA 1.608 57.672 56.100 -0.060 0.000 0.960 141 R CB -0.291 30.035 30.300 0.043 0.000 0.856 141 R HN 0.705 nan 8.270 nan 0.000 0.436 142 E N 0.208 120.326 120.200 -0.137 0.000 2.160 142 E HA -0.193 4.157 4.350 0.000 0.000 0.195 142 E C 1.230 177.775 176.600 -0.093 0.000 0.991 142 E CA 1.105 57.434 56.400 -0.119 0.000 0.810 142 E CB 0.164 29.782 29.700 -0.138 0.000 0.742 142 E HN 0.295 nan 8.360 nan 0.000 0.466 143 R N -1.104 119.336 120.500 -0.100 0.000 2.356 143 R HA 0.114 4.455 4.340 0.000 0.000 0.234 143 R C 0.836 177.092 176.300 -0.073 0.000 0.929 143 R CA 0.456 56.521 56.100 -0.059 0.000 1.084 143 R CB 0.595 30.895 30.300 0.000 0.000 1.105 143 R HN 0.222 nan 8.270 nan 0.000 0.515 144 G N 1.027 109.770 108.800 -0.094 0.000 2.160 144 G HA2 -0.263 3.697 3.960 0.000 0.000 0.251 144 G HA3 -0.263 3.697 3.960 0.000 0.000 0.251 144 G C -0.002 174.835 174.900 -0.106 0.000 1.008 144 G CA -0.028 45.019 45.100 -0.088 0.000 0.724 144 G HN 0.201 nan 8.290 nan 0.000 0.514 145 M N 1.038 120.541 119.600 -0.161 0.000 2.036 145 M HA 0.460 4.940 4.480 0.000 0.000 0.337 145 M C -0.447 175.675 176.300 -0.297 0.000 1.012 145 M CA -0.953 54.212 55.300 -0.225 0.000 0.962 145 M CB 0.707 33.139 32.600 -0.281 0.000 1.423 145 M HN 0.088 nan 8.290 nan 0.000 0.405 146 N N 4.306 122.875 118.700 -0.218 0.000 2.918 146 N HA 0.263 5.003 4.740 0.000 0.000 0.270 146 N C -1.725 173.671 175.510 -0.189 0.000 1.536 146 N CA -0.060 52.889 53.050 -0.167 0.000 0.877 146 N CB 0.214 38.657 38.487 -0.074 0.000 1.190 146 N HN 0.597 nan 8.380 nan 0.000 0.492 147 N N 1.816 120.136 118.700 -0.633 0.000 2.571 147 N HA 0.319 5.059 4.740 0.000 0.000 0.286 147 N C -1.994 173.205 175.510 -0.518 0.000 1.138 147 N CA -0.245 52.607 53.050 -0.329 0.000 0.859 147 N CB 0.308 38.731 38.487 -0.106 0.000 1.414 147 N HN -0.000 nan 8.380 nan 0.000 0.529 148 F N 1.843 121.896 119.950 0.172 0.000 2.532 148 F HA 0.547 5.074 4.527 -0.000 0.000 0.321 148 F C -0.149 175.788 175.800 0.227 0.000 1.089 148 F CA -0.979 57.137 58.000 0.193 0.000 0.926 148 F CB 1.885 40.951 39.000 0.110 0.000 1.168 148 F HN 0.243 nan 8.300 nan 0.000 0.459 149 L N 3.409 124.924 121.223 0.486 0.000 2.322 149 L HA 0.572 4.912 4.340 0.000 0.000 0.281 149 L C -1.454 175.774 176.870 0.596 0.000 1.014 149 L CA -0.325 54.802 54.840 0.479 0.000 0.815 149 L CB 1.049 43.350 42.059 0.403 0.000 1.247 149 L HN 0.560 nan 8.230 nan 0.000 0.421 150 F N 5.431 125.524 119.950 0.239 0.000 2.408 150 F HA 0.438 4.965 4.527 0.000 0.000 0.344 150 F C -0.268 175.659 175.800 0.213 0.000 1.112 150 F CA -0.947 57.139 58.000 0.143 0.000 1.096 150 F CB 1.326 40.367 39.000 0.067 0.000 1.129 150 F HN 0.448 nan 8.300 nan 0.000 0.486 151 F N 0.707 120.753 119.950 0.159 0.000 2.588 151 F HA 0.750 5.277 4.527 -0.000 0.000 0.310 151 F C -0.962 174.887 175.800 0.080 0.000 1.082 151 F CA -1.010 57.057 58.000 0.111 0.000 0.929 151 F CB 1.257 40.312 39.000 0.091 0.000 1.254 151 F HN 0.287 nan 8.300 nan 0.000 0.455 152 T N -0.341 114.308 114.554 0.159 0.000 2.885 152 T HA 0.402 4.752 4.350 0.000 0.000 0.285 152 T C -0.286 174.517 174.700 0.171 0.000 1.019 152 T CA -0.823 61.342 62.100 0.107 0.000 1.010 152 T CB 1.726 70.787 68.868 0.322 0.000 1.022 152 T HN 0.651 nan 8.240 nan 0.000 0.466 153 N N 0.411 119.152 118.700 0.068 0.000 2.322 153 N HA 0.208 4.948 4.740 0.000 0.000 0.181 153 N C 0.129 175.572 175.510 -0.112 0.000 1.088 153 N CA 0.129 53.169 53.050 -0.017 0.000 0.885 153 N CB 0.823 39.301 38.487 -0.014 0.000 1.013 153 N HN 0.716 nan 8.380 nan 0.000 0.472 154 S N -0.949 114.704 115.700 -0.078 0.000 2.570 154 S HA 0.714 5.184 4.470 0.000 0.000 0.270 154 S C -1.409 172.992 174.600 -0.331 0.000 1.149 154 S CA -0.687 57.402 58.200 -0.186 0.000 0.837 154 S CB 1.241 64.328 63.200 -0.189 0.000 1.124 154 S HN 0.150 nan 8.310 nan 0.000 0.465 155 A N 2.722 125.106 122.820 -0.726 0.000 2.366 155 A HA 0.655 4.975 4.320 0.000 0.000 0.249 155 A C -2.617 174.456 177.584 -0.851 0.000 1.084 155 A CA -1.165 50.044 52.037 -1.380 0.000 0.794 155 A CB -0.805 17.315 19.000 -1.466 0.000 1.034 155 A HN 0.624 nan 8.150 nan 0.000 0.491 156 P HA -0.031 nan 4.420 nan 0.000 0.264 156 P C 0.229 176.876 177.300 -1.088 0.000 1.183 156 P CA 0.480 62.928 63.100 -1.086 0.000 0.763 156 P CB 0.007 30.721 31.700 -1.644 0.000 0.807 157 Y N 2.772 122.664 120.300 -0.680 0.000 2.241 157 Y HA -0.231 4.319 4.550 0.000 0.000 0.286 157 Y C 1.592 177.289 175.900 -0.338 0.000 1.166 157 Y CA 1.059 58.924 58.100 -0.391 0.000 1.203 157 Y CB -1.949 36.399 38.460 -0.185 0.000 0.977 157 Y HN 0.290 nan 8.280 nan 0.000 0.529 158 F N -1.561 117.905 119.950 -0.807 0.000 2.802 158 F HA 0.255 4.782 4.527 -0.000 0.000 0.300 158 F C 1.607 177.210 175.800 -0.328 0.000 1.168 158 F CA 0.072 57.757 58.000 -0.524 0.000 1.433 158 F CB -0.689 37.911 39.000 -0.666 0.000 1.115 158 F HN 0.041 nan 8.300 nan 0.000 0.582 159 M N 0.770 120.042 119.600 -0.547 0.000 2.382 159 M HA 0.119 4.599 4.480 0.000 0.000 0.247 159 M C 0.681 176.815 176.300 -0.278 0.000 1.104 159 M CA 0.117 55.203 55.300 -0.358 0.000 1.030 159 M CB 0.097 32.399 32.600 -0.497 0.000 1.424 159 M HN 0.216 nan 8.290 nan 0.000 0.486 160 T N -1.892 112.505 114.554 -0.261 0.000 2.874 160 T HA 0.301 4.651 4.350 0.000 0.000 0.281 160 T C 0.947 175.593 174.700 -0.091 0.000 0.994 160 T CA -0.608 61.379 62.100 -0.187 0.000 1.015 160 T CB 1.531 70.301 68.868 -0.162 0.000 1.028 160 T HN 0.222 nan 8.240 nan 0.000 0.523 161 R N 0.333 120.796 120.500 -0.062 0.000 2.153 161 R HA 0.012 4.352 4.340 0.000 0.000 0.218 161 R C 2.451 178.746 176.300 -0.008 0.000 1.072 161 R CA 1.190 57.278 56.100 -0.021 0.000 0.990 161 R CB -0.176 30.123 30.300 -0.002 0.000 0.889 161 R HN 0.826 nan 8.270 nan 0.000 0.452 162 S N -0.324 115.370 115.700 -0.009 0.000 2.575 162 S HA 0.256 4.726 4.470 0.000 0.000 0.215 162 S C 1.043 175.652 174.600 0.014 0.000 0.966 162 S CA 0.208 58.411 58.200 0.005 0.000 0.911 162 S CB 0.869 64.077 63.200 0.013 0.000 0.780 162 S HN 0.309 nan 8.310 nan 0.000 0.514 163 A N -0.269 122.561 122.820 0.017 0.000 2.872 163 A HA -0.049 4.271 4.320 0.000 0.000 0.273 163 A C 0.516 178.157 177.584 0.095 0.000 1.442 163 A CA 0.822 52.898 52.037 0.065 0.000 0.801 163 A CB -2.178 16.862 19.000 0.067 0.000 1.031 163 A HN 1.497 nan 8.150 nan 0.000 0.582 164 S N -2.501 113.231 115.700 0.052 0.000 2.552 164 S HA 0.596 5.066 4.470 0.000 0.000 0.272 164 S C 0.967 175.564 174.600 -0.004 0.000 1.150 164 S CA 1.035 59.250 58.200 0.025 0.000 0.849 164 S CB 0.965 64.162 63.200 -0.005 0.000 1.113 164 S HN 1.655 nan 8.310 nan 0.000 0.458 165 T N 0.351 114.893 114.554 -0.020 0.000 3.007 165 T HA 0.098 4.448 4.350 0.000 0.000 0.270 165 T C 0.657 175.341 174.700 -0.026 0.000 1.107 165 T CA 0.862 62.932 62.100 -0.051 0.000 1.118 165 T CB -0.378 68.457 68.868 -0.055 0.000 0.889 165 T HN 0.426 nan 8.240 nan 0.000 0.506 166 V N 3.912 123.828 119.914 0.004 0.000 2.389 166 V HA 0.376 4.496 4.120 0.000 0.000 0.264 166 V C 0.837 176.972 176.094 0.068 0.000 1.049 166 V CA -0.808 61.523 62.300 0.053 0.000 0.932 166 V CB 0.334 32.192 31.823 0.059 0.000 1.011 166 V HN 0.695 nan 8.190 nan 0.000 0.475 167 S N 3.448 119.214 115.700 0.109 0.000 2.600 167 S HA 0.232 4.702 4.470 0.000 0.000 0.265 167 S C 0.860 175.551 174.600 0.152 0.000 1.325 167 S CA 0.194 58.466 58.200 0.120 0.000 1.002 167 S CB 1.161 64.463 63.200 0.170 0.000 0.921 167 S HN 0.937 nan 8.310 nan 0.000 0.554 168 T N -3.060 111.547 114.554 0.088 0.000 3.111 168 T HA 0.382 4.732 4.350 0.000 0.000 0.284 168 T C -0.611 174.004 174.700 -0.141 0.000 0.983 168 T CA 0.035 62.164 62.100 0.049 0.000 0.900 168 T CB -0.824 68.059 68.868 0.025 0.000 1.132 168 T HN 0.870 nan 8.240 nan 0.000 0.531 169 D N -0.681 119.585 120.400 -0.223 0.000 2.643 169 D HA 0.284 4.924 4.640 0.000 0.000 0.283 169 D C -0.344 175.726 176.300 -0.384 0.000 1.242 169 D CA -0.854 52.834 54.000 -0.520 0.000 0.863 169 D CB 0.869 41.527 40.800 -0.237 0.000 1.382 169 D HN -0.067 nan 8.370 nan 0.000 0.444 170 Q N -0.572 118.984 119.800 -0.406 0.000 2.241 170 Q HA 0.160 4.500 4.340 0.000 0.000 0.296 170 Q C -0.337 175.462 176.000 -0.334 0.000 0.889 170 Q CA -0.262 55.349 55.803 -0.319 0.000 1.089 170 Q CB 0.252 28.763 28.738 -0.379 0.000 1.195 170 Q HN 0.382 nan 8.270 nan 0.000 0.451 171 D N -0.289 120.059 120.400 -0.086 0.000 2.194 171 D HA -0.020 4.620 4.640 0.000 0.000 0.204 171 D C 0.966 177.402 176.300 0.227 0.000 0.964 171 D CA 0.848 54.860 54.000 0.020 0.000 0.846 171 D CB 0.237 41.050 40.800 0.022 0.000 0.962 171 D HN 0.495 nan 8.370 nan 0.000 0.490 172 C N -2.159 117.355 119.300 0.356 0.000 3.132 172 C HA 0.377 4.837 4.460 0.000 0.000 0.336 172 C C -0.190 174.995 174.990 0.325 0.000 1.387 172 C CA -1.825 57.428 59.018 0.392 0.000 1.202 172 C CB 0.065 27.943 27.740 0.230 0.000 1.451 172 C HN 0.183 nan 8.230 nan 0.000 0.433 173 I N 2.136 122.822 120.570 0.192 0.000 2.845 173 I HA 0.033 4.203 4.170 0.000 0.000 0.296 173 I C 0.669 176.826 176.117 0.066 0.000 1.216 173 I CA 0.644 62.006 61.300 0.104 0.000 1.438 173 I CB 0.333 38.362 38.000 0.048 0.000 1.342 173 I HN 0.781 nan 8.210 nan 0.000 0.577 174 N N 7.357 126.074 118.700 0.029 0.000 3.027 174 N HA 0.214 4.954 4.740 0.000 0.000 0.309 174 N C -1.293 174.136 175.510 -0.134 0.000 1.222 174 N CA -0.064 52.971 53.050 -0.024 0.000 1.187 174 N CB -0.354 38.127 38.487 -0.010 0.000 1.458 174 N HN 0.458 nan 8.380 nan 0.000 0.535 175 L N 0.443 121.581 121.223 -0.141 0.000 2.513 175 L HA 0.370 4.710 4.340 0.000 0.000 0.261 175 L C -0.880 175.917 176.870 -0.122 0.000 0.945 175 L CA -0.598 54.093 54.840 -0.247 0.000 0.848 175 L CB 1.773 43.547 42.059 -0.474 0.000 1.334 175 L HN 0.228 nan 8.230 nan 0.000 0.407 176 Q N 2.658 122.406 119.800 -0.086 0.000 2.392 176 Q HA 0.177 4.517 4.340 0.000 0.000 0.262 176 Q C 0.448 176.537 176.000 0.148 0.000 1.003 176 Q CA -0.168 55.651 55.803 0.026 0.000 0.888 176 Q CB 0.612 29.357 28.738 0.012 0.000 1.260 176 Q HN 0.605 nan 8.270 nan 0.000 0.435 177 N N 1.619 120.442 118.700 0.205 0.000 2.272 177 N HA -0.154 4.586 4.740 0.000 0.000 0.185 177 N C 0.474 176.170 175.510 0.309 0.000 1.014 177 N CA 1.301 54.528 53.050 0.296 0.000 0.870 177 N CB 0.060 38.641 38.487 0.157 0.000 0.975 177 N HN 0.605 nan 8.380 nan 0.000 0.433 178 D N -1.247 119.284 120.400 0.219 0.000 2.402 178 D HA 0.046 4.686 4.640 0.000 0.000 0.216 178 D C 0.530 176.949 176.300 0.199 0.000 1.128 178 D CA 0.056 54.169 54.000 0.187 0.000 0.833 178 D CB 0.106 40.974 40.800 0.113 0.000 0.971 178 D HN -0.098 nan 8.370 nan 0.000 0.503 179 K N -0.107 120.423 120.400 0.217 0.000 2.372 179 K HA 0.178 4.498 4.320 0.000 0.000 0.200 179 K C 0.841 177.536 176.600 0.158 0.000 1.022 179 K CA -0.335 56.025 56.287 0.121 0.000 1.125 179 K CB -0.204 32.288 32.500 -0.013 0.000 0.855 179 K HN 0.109 nan 8.250 nan 0.000 0.524 180 F N 2.676 122.689 119.950 0.104 0.000 2.171 180 F HA -0.199 4.328 4.527 0.000 0.000 0.300 180 F C 2.096 177.971 175.800 0.124 0.000 1.090 180 F CA 1.653 59.731 58.000 0.131 0.000 1.293 180 F CB -0.289 38.764 39.000 0.089 0.000 1.013 180 F HN 0.173 nan 8.300 nan 0.000 0.486 181 D N -0.161 120.412 120.400 0.290 0.000 2.149 181 D HA -0.162 4.478 4.640 0.000 0.000 0.201 181 D C 1.275 177.688 176.300 0.188 0.000 0.972 181 D CA 1.510 55.624 54.000 0.190 0.000 0.835 181 D CB -0.962 39.924 40.800 0.144 0.000 0.966 181 D HN 0.242 nan 8.370 nan 0.000 0.476 182 D N -0.087 120.431 120.400 0.197 0.000 2.097 182 D HA -0.126 4.514 4.640 0.000 0.000 0.195 182 D C 1.634 178.116 176.300 0.304 0.000 0.989 182 D CA 0.790 54.915 54.000 0.209 0.000 0.827 182 D CB -0.422 40.469 40.800 0.151 0.000 0.966 182 D HN 0.106 nan 8.370 nan 0.000 0.456 183 F N 1.623 121.622 119.950 0.081 0.000 2.102 183 F HA -0.035 4.492 4.527 0.000 0.000 0.298 183 F C 2.215 178.135 175.800 0.200 0.000 1.105 183 F CA 1.117 59.180 58.000 0.105 0.000 1.239 183 F CB -0.861 38.113 39.000 -0.043 0.000 0.991 183 F HN -0.042 nan 8.300 nan 0.000 0.474 184 A N 0.643 123.520 122.820 0.095 0.000 1.908 184 A HA -0.206 4.114 4.320 0.000 0.000 0.218 184 A C 2.435 180.056 177.584 0.062 0.000 1.181 184 A CA 1.726 53.750 52.037 -0.023 0.000 0.627 184 A CB -0.717 18.286 19.000 0.004 0.000 0.818 184 A HN 0.434 nan 8.150 nan 0.000 0.445 185 R N -2.021 118.573 120.500 0.157 0.000 2.092 185 R HA -0.094 4.246 4.340 0.000 0.000 0.231 185 R C 2.018 178.478 176.300 0.266 0.000 1.119 185 R CA 1.469 57.677 56.100 0.180 0.000 0.970 185 R CB -0.490 29.927 30.300 0.194 0.000 0.864 185 R HN 0.641 nan 8.270 nan 0.000 0.440 186 F N 1.661 121.757 119.950 0.244 0.000 2.102 186 F HA -0.167 4.360 4.527 0.000 0.000 0.298 186 F C 1.837 177.831 175.800 0.324 0.000 1.105 186 F CA 1.410 59.627 58.000 0.363 0.000 1.239 186 F CB -0.355 38.857 39.000 0.353 0.000 0.991 186 F HN -0.112 nan 8.300 nan 0.000 0.474 187 L N -0.516 120.665 121.223 -0.070 0.000 2.046 187 L HA -0.211 4.129 4.340 0.000 0.000 0.208 187 L C 2.387 179.231 176.870 -0.043 0.000 1.077 187 L CA 1.108 55.843 54.840 -0.175 0.000 0.747 187 L CB -0.761 41.195 42.059 -0.173 0.000 0.896 187 L HN 0.067 nan 8.230 nan 0.000 0.432 188 V N -0.172 119.738 119.914 -0.006 0.000 2.379 188 V HA -0.253 3.867 4.120 0.000 0.000 0.245 188 V C 2.493 178.597 176.094 0.017 0.000 1.044 188 V CA 1.710 64.016 62.300 0.009 0.000 1.036 188 V CB -0.392 31.434 31.823 0.005 0.000 0.664 188 V HN 0.411 nan 8.190 nan 0.000 0.453 189 K N 0.392 120.810 120.400 0.031 0.000 2.063 189 K HA -0.190 4.130 4.320 0.000 0.000 0.208 189 K C 2.282 178.899 176.600 0.028 0.000 1.048 189 K CA 2.021 58.307 56.287 -0.001 0.000 0.928 189 K CB -0.272 32.209 32.500 -0.032 0.000 0.713 189 K HN 0.424 nan 8.250 nan 0.000 0.442 190 S N 0.378 116.143 115.700 0.108 0.000 2.356 190 S HA -0.138 4.332 4.470 0.000 0.000 0.223 190 S C 2.061 176.928 174.600 0.445 0.000 1.032 190 S CA 1.159 59.535 58.200 0.293 0.000 1.005 190 S CB -0.397 62.973 63.200 0.283 0.000 0.867 190 S HN 0.550 nan 8.310 nan 0.000 0.449 191 A N 1.115 124.132 122.820 0.328 0.000 1.902 191 A HA -0.191 4.129 4.320 0.000 0.000 0.217 191 A C 2.109 179.712 177.584 0.031 0.000 1.181 191 A CA 1.743 53.851 52.037 0.119 0.000 0.623 191 A CB -0.677 18.302 19.000 -0.035 0.000 0.818 191 A HN 0.558 nan 8.150 nan 0.000 0.443 192 Q N -1.357 118.439 119.800 -0.006 0.000 2.119 192 Q HA -0.246 4.094 4.340 0.000 0.000 0.201 192 Q C 1.953 177.860 176.000 -0.154 0.000 0.972 192 Q CA 1.806 57.565 55.803 -0.074 0.000 0.847 192 Q CB -0.266 28.427 28.738 -0.076 0.000 0.903 192 Q HN 0.888 nan 8.270 nan 0.000 0.433 193 H N -0.594 118.259 119.070 -0.362 0.000 2.319 193 H HA -0.179 4.377 4.556 0.000 0.000 0.297 193 H C 1.314 176.276 175.328 -0.610 0.000 1.097 193 H CA 2.447 58.065 56.048 -0.716 0.000 1.285 193 H CB -0.318 28.521 29.762 -1.538 0.000 1.368 193 H HN 0.302 nan 8.280 nan 0.000 0.495 194 F N 0.126 119.918 119.950 -0.263 0.000 2.367 194 F HA 0.058 4.585 4.527 0.000 0.000 0.298 194 F C 2.593 178.351 175.800 -0.070 0.000 1.094 194 F CA 0.711 58.629 58.000 -0.138 0.000 1.409 194 F CB -0.111 38.901 39.000 0.020 0.000 1.064 194 F HN 0.063 nan 8.300 nan 0.000 0.528 195 R N 0.568 121.083 120.500 0.024 0.000 2.096 195 R HA -0.164 4.176 4.340 0.000 0.000 0.235 195 R C 1.766 178.008 176.300 -0.097 0.000 1.127 195 R CA 1.578 57.672 56.100 -0.010 0.000 0.968 195 R CB -0.575 29.708 30.300 -0.028 0.000 0.861 195 R HN 0.385 nan 8.270 nan 0.000 0.440 196 E N 0.537 120.624 120.200 -0.189 0.000 2.409 196 E HA -0.127 4.223 4.350 0.000 0.000 0.198 196 E C 1.219 177.656 176.600 -0.272 0.000 1.024 196 E CA 0.565 56.826 56.400 -0.231 0.000 0.861 196 E CB 0.202 29.739 29.700 -0.271 0.000 0.788 196 E HN 0.358 nan 8.360 nan 0.000 0.521 197 Q N -0.603 119.025 119.800 -0.288 0.000 2.246 197 Q HA 0.126 4.466 4.340 0.000 0.000 0.202 197 Q C 0.811 176.579 176.000 -0.385 0.000 0.883 197 Q CA 0.472 56.117 55.803 -0.263 0.000 0.952 197 Q CB 1.430 30.093 28.738 -0.125 0.000 1.078 197 Q HN 0.355 nan 8.270 nan 0.000 0.493 198 G N 1.252 109.851 108.800 -0.335 0.000 2.141 198 G HA2 -0.258 3.702 3.960 0.000 0.000 0.242 198 G HA3 -0.258 3.702 3.960 0.000 0.000 0.242 198 G C -0.263 174.281 174.900 -0.593 0.000 0.982 198 G CA -0.312 44.526 45.100 -0.438 0.000 0.662 198 G HN 0.301 nan 8.290 nan 0.000 0.527 199 F N 0.713 120.576 119.950 -0.146 0.000 2.410 199 F HA 0.478 5.005 4.527 0.000 0.000 0.349 199 F C 1.125 176.931 175.800 0.009 0.000 1.117 199 F CA -0.773 57.171 58.000 -0.094 0.000 1.104 199 F CB 0.885 39.792 39.000 -0.155 0.000 1.122 199 F HN 0.126 nan 8.300 nan 0.000 0.483 200 H N 2.617 121.884 119.070 0.329 0.000 3.045 200 H HA 0.225 4.781 4.556 0.000 0.000 0.254 200 H C -0.482 174.934 175.328 0.146 0.000 1.747 200 H CA -0.695 55.439 56.048 0.142 0.000 1.444 200 H CB 0.091 29.885 29.762 0.054 0.000 1.778 200 H HN 0.283 nan 8.280 nan 0.000 0.544 201 V N 3.273 123.248 119.914 0.101 0.000 2.381 201 V HA -0.068 4.052 4.120 0.000 0.000 0.257 201 V C 0.745 176.724 176.094 -0.192 0.000 1.057 201 V CA -0.042 62.159 62.300 -0.165 0.000 1.013 201 V CB 0.354 31.802 31.823 -0.626 0.000 1.069 201 V HN 0.787 nan 8.190 nan 0.000 0.484 202 N N 3.244 121.807 118.700 -0.227 0.000 2.282 202 N HA 0.140 4.880 4.740 0.000 0.000 0.185 202 N C -0.503 174.498 175.510 -0.848 0.000 1.099 202 N CA 0.470 53.180 53.050 -0.567 0.000 0.878 202 N CB 0.589 38.608 38.487 -0.779 0.000 0.993 202 N HN 0.670 nan 8.380 nan 0.000 0.481 203 Y N -0.329 119.926 120.300 -0.076 0.000 2.504 203 Y HA 0.552 5.102 4.550 0.000 0.000 0.344 203 Y C -0.532 175.387 175.900 0.031 0.000 1.023 203 Y CA -0.858 57.213 58.100 -0.048 0.000 1.020 203 Y CB 1.831 40.276 38.460 -0.025 0.000 1.282 203 Y HN -0.287 nan 8.280 nan 0.000 0.454 204 I N 1.967 122.655 120.570 0.197 0.000 2.418 204 I HA 0.374 4.544 4.170 0.000 0.000 0.287 204 I C -0.533 175.690 176.117 0.176 0.000 1.008 204 I CA -0.624 60.785 61.300 0.182 0.000 1.104 204 I CB 2.019 40.069 38.000 0.084 0.000 1.264 204 I HN 0.578 nan 8.210 nan 0.000 0.438 205 S N 8.120 123.952 115.700 0.220 0.000 2.528 205 S HA 0.432 4.902 4.470 0.000 0.000 0.303 205 S C -1.659 173.040 174.600 0.164 0.000 1.123 205 S CA -1.555 56.757 58.200 0.185 0.000 1.138 205 S CB 0.851 64.178 63.200 0.211 0.000 0.984 205 S HN 0.422 nan 8.310 nan 0.000 0.474 206 P HA 0.064 nan 4.420 nan 0.000 0.225 206 P C -0.508 176.870 177.300 0.131 0.000 1.156 206 P CA 0.574 63.685 63.100 0.019 0.000 0.787 206 P CB -0.047 31.592 31.700 -0.101 0.000 0.802 207 N N -0.212 118.558 118.700 0.116 0.000 2.295 207 N HA 0.301 5.041 4.740 0.000 0.000 0.293 207 N C -1.050 174.515 175.510 0.091 0.000 1.040 207 N CA -0.534 52.575 53.050 0.098 0.000 0.840 207 N CB 0.975 39.495 38.487 0.055 0.000 1.468 207 N HN -0.171 nan 8.380 nan 0.000 0.478 208 N N 0.945 119.688 118.700 0.072 0.000 2.392 208 N HA 0.195 4.935 4.740 0.000 0.000 0.283 208 N C -1.113 174.457 175.510 0.101 0.000 1.003 208 N CA -0.372 52.733 53.050 0.091 0.000 0.892 208 N CB 0.745 39.299 38.487 0.111 0.000 1.193 208 N HN 0.488 nan 8.380 nan 0.000 0.487 209 E N 1.657 121.919 120.200 0.102 0.000 2.210 209 E HA -0.167 4.183 4.350 0.000 0.000 0.201 209 E C -1.750 174.998 176.600 0.247 0.000 1.339 209 E CA 0.115 56.616 56.400 0.168 0.000 0.699 209 E CB -0.646 29.299 29.700 0.407 0.000 1.126 209 E HN 0.655 nan 8.360 nan 0.000 0.355 210 P HA -0.200 nan 4.420 nan 0.000 0.226 210 P C 1.035 178.262 177.300 -0.122 0.000 1.153 210 P CA 1.090 64.163 63.100 -0.044 0.000 0.777 210 P CB -0.036 31.566 31.700 -0.164 0.000 0.794 211 N N 0.289 118.891 118.700 -0.164 0.000 2.309 211 N HA -0.077 4.663 4.740 0.000 0.000 0.182 211 N C 1.164 176.694 175.510 0.034 0.000 1.018 211 N CA 0.603 53.484 53.050 -0.282 0.000 0.876 211 N CB -1.090 36.750 38.487 -1.077 0.000 0.972 211 N HN 0.002 nan 8.380 nan 0.000 0.434 212 G N 0.516 109.368 108.800 0.087 0.000 2.527 212 G HA2 0.033 3.993 3.960 0.000 0.000 0.248 212 G HA3 0.033 3.993 3.960 0.000 0.000 0.248 212 G C -0.600 174.242 174.900 -0.096 0.000 1.231 212 G CA -0.457 44.531 45.100 -0.186 0.000 0.838 212 G HN 0.339 nan 8.290 nan 0.000 0.570 213 Q N 1.307 120.939 119.800 -0.280 0.000 2.423 213 Q HA 0.152 4.492 4.340 0.000 0.000 0.235 213 Q C -0.090 175.717 176.000 -0.321 0.000 1.100 213 Q CA -0.491 55.190 55.803 -0.203 0.000 0.908 213 Q CB 0.251 28.849 28.738 -0.232 0.000 1.312 213 Q HN 0.731 nan 8.270 nan 0.000 0.497 214 W N 1.380 122.717 121.300 0.060 0.000 2.812 214 W HA -0.020 4.641 4.660 0.000 0.000 0.263 214 W C 2.076 178.615 176.519 0.032 0.000 1.284 214 W CA 0.087 57.467 57.345 0.059 0.000 1.430 214 W CB 0.443 29.975 29.460 0.119 0.000 1.088 214 W HN 0.765 nan 8.180 nan 0.000 0.623 215 H N -0.976 118.220 119.070 0.210 0.000 2.545 215 H HA 0.172 4.728 4.556 -0.000 0.000 0.282 215 H C 1.606 176.982 175.328 0.080 0.000 1.020 215 H CA 1.321 57.446 56.048 0.128 0.000 1.243 215 H CB -0.408 29.399 29.762 0.074 0.000 1.377 215 H HN 0.130 nan 8.280 nan 0.000 0.581 216 A N 0.567 123.173 122.820 -0.357 0.000 2.275 216 A HA 0.019 4.339 4.320 0.000 0.000 0.212 216 A C 0.732 178.278 177.584 -0.062 0.000 1.201 216 A CA -0.173 51.720 52.037 -0.240 0.000 0.843 216 A CB -0.037 18.764 19.000 -0.331 0.000 0.873 216 A HN 0.332 nan 8.150 nan 0.000 0.492 217 N N 0.298 119.022 118.700 0.040 0.000 2.524 217 N HA 0.158 4.898 4.740 0.000 0.000 0.261 217 N C 0.356 175.979 175.510 0.188 0.000 0.998 217 N CA 0.543 53.673 53.050 0.133 0.000 0.915 217 N CB 1.602 40.225 38.487 0.227 0.000 1.187 217 N HN 0.111 nan 8.380 nan 0.000 0.507 218 S N 2.758 118.551 115.700 0.155 0.000 2.557 218 S HA 0.053 4.523 4.470 0.000 0.000 0.223 218 S C 1.232 175.926 174.600 0.157 0.000 0.969 218 S CA -0.395 57.885 58.200 0.134 0.000 0.927 218 S CB -0.430 62.820 63.200 0.084 0.000 0.806 218 S HN 0.481 nan 8.310 nan 0.000 0.489 219 F N 2.474 122.446 119.950 0.037 0.000 2.502 219 F HA 0.344 4.871 4.527 0.000 0.000 0.298 219 F C 0.804 176.563 175.800 -0.068 0.000 1.111 219 F CA 0.524 58.514 58.000 -0.017 0.000 1.445 219 F CB 0.125 39.124 39.000 -0.002 0.000 1.081 219 F HN 0.379 nan 8.300 nan 0.000 0.558 220 Q N 0.566 120.397 119.800 0.051 0.000 2.479 220 Q HA 0.157 4.497 4.340 0.000 0.000 0.276 220 Q C -1.123 174.933 176.000 0.094 0.000 0.989 220 Q CA -0.793 55.029 55.803 0.033 0.000 0.864 220 Q CB 1.532 30.473 28.738 0.337 0.000 1.444 220 Q HN 0.193 nan 8.270 nan 0.000 0.388 221 E N 0.281 120.510 120.200 0.048 0.000 2.437 221 E HA 0.437 4.787 4.350 0.000 0.000 0.263 221 E C -0.030 176.455 176.600 -0.192 0.000 1.030 221 E CA 0.628 57.013 56.400 -0.025 0.000 0.934 221 E CB 0.678 30.368 29.700 -0.017 0.000 0.943 221 E HN 0.692 nan 8.360 nan 0.000 0.444 222 G N 0.207 108.835 108.800 -0.287 0.000 2.489 222 G HA2 0.409 4.369 3.960 0.000 0.000 0.291 222 G HA3 0.409 4.369 3.960 0.000 0.000 0.291 222 G C -1.498 173.158 174.900 -0.407 0.000 1.487 222 G CA -0.462 44.186 45.100 -0.752 0.000 0.795 222 G HN 0.397 nan 8.290 nan 0.000 0.513 223 S N -0.719 114.674 115.700 -0.511 0.000 2.563 223 S HA 0.566 5.036 4.470 0.000 0.000 0.279 223 S C -1.051 173.691 174.600 0.237 0.000 1.155 223 S CA -0.654 57.542 58.200 -0.007 0.000 0.928 223 S CB 0.819 64.004 63.200 -0.026 0.000 1.107 223 S HN 1.477 nan 8.310 nan 0.000 0.462 224 F N 4.577 124.728 119.950 0.335 0.000 2.545 224 F HA 0.599 5.126 4.527 0.000 0.000 0.348 224 F C 0.150 176.032 175.800 0.137 0.000 1.163 224 F CA 0.886 59.046 58.000 0.267 0.000 1.331 224 F CB 0.519 39.652 39.000 0.222 0.000 1.138 224 F HN 0.779 nan 8.300 nan 0.000 0.602 225 A N 3.076 125.416 122.820 -0.799 0.000 2.574 225 A HA 0.580 4.900 4.320 0.000 0.000 0.297 225 A C -0.481 176.602 177.584 -0.835 0.000 1.062 225 A CA -0.227 51.451 52.037 -0.599 0.000 0.686 225 A CB 0.816 19.698 19.000 -0.197 0.000 1.285 225 A HN 0.975 nan 8.150 nan 0.000 0.403 226 T N -0.858 113.418 114.554 -0.462 0.000 2.881 226 T HA 0.382 4.732 4.350 0.000 0.000 0.278 226 T C 0.912 175.462 174.700 -0.251 0.000 0.982 226 T CA -0.200 61.722 62.100 -0.296 0.000 0.989 226 T CB 0.824 69.630 68.868 -0.103 0.000 1.058 226 T HN 0.604 nan 8.240 nan 0.000 0.529 227 K N 0.510 120.722 120.400 -0.313 0.000 2.103 227 K HA -0.112 4.208 4.320 0.000 0.000 0.207 227 K C 2.538 178.745 176.600 -0.656 0.000 1.048 227 K CA 1.367 57.364 56.287 -0.484 0.000 0.930 227 K CB -0.635 31.477 32.500 -0.647 0.000 0.716 227 K HN 0.720 nan 8.250 nan 0.000 0.444 228 A N 2.061 124.495 122.820 -0.644 0.000 1.877 228 A HA -0.209 4.111 4.320 0.000 0.000 0.216 228 A C 1.650 179.225 177.584 -0.016 0.000 1.186 228 A CA 1.860 53.742 52.037 -0.258 0.000 0.620 228 A CB -0.400 18.587 19.000 -0.023 0.000 0.822 228 A HN 0.183 nan 8.150 nan 0.000 0.443 229 D N 0.286 120.692 120.400 0.009 0.000 2.092 229 D HA -0.152 4.488 4.640 0.000 0.000 0.193 229 D C 1.957 178.379 176.300 0.203 0.000 0.994 229 D CA 1.298 55.411 54.000 0.189 0.000 0.828 229 D CB -0.502 40.400 40.800 0.171 0.000 0.963 229 D HN 0.451 nan 8.370 nan 0.000 0.450 230 L N -0.300 120.962 121.223 0.065 0.000 2.083 230 L HA -0.206 4.134 4.340 0.000 0.000 0.209 230 L C 2.512 179.425 176.870 0.072 0.000 1.083 230 L CA 0.996 55.871 54.840 0.058 0.000 0.752 230 L CB -0.500 41.560 42.059 0.003 0.000 0.899 230 L HN 0.069 nan 8.230 nan 0.000 0.433 231 Y N 0.851 121.134 120.300 -0.029 0.000 2.145 231 Y HA -0.256 4.294 4.550 -0.000 0.000 0.286 231 Y C 2.821 178.708 175.900 -0.022 0.000 1.145 231 Y CA 1.549 59.659 58.100 0.017 0.000 1.148 231 Y CB -0.086 38.456 38.460 0.137 0.000 0.981 231 Y HN -0.034 nan 8.280 nan 0.000 0.507 232 R N -0.915 119.662 120.500 0.128 0.000 2.081 232 R HA -0.181 4.159 4.340 0.000 0.000 0.235 232 R C 2.177 178.482 176.300 0.008 0.000 1.131 232 R CA 1.593 57.676 56.100 -0.027 0.000 0.960 232 R CB -0.309 29.791 30.300 -0.333 0.000 0.856 232 R HN 0.367 nan 8.270 nan 0.000 0.436 233 M N 0.240 119.938 119.600 0.164 0.000 2.080 233 M HA -0.150 4.330 4.480 0.000 0.000 0.260 233 M C 2.373 178.605 176.300 -0.115 0.000 1.068 233 M CA 1.514 56.883 55.300 0.117 0.000 1.109 233 M CB -0.806 31.866 32.600 0.120 0.000 1.342 233 M HN -0.024 nan 8.290 nan 0.000 0.405 234 V N -0.123 119.642 119.914 -0.248 0.000 2.295 234 V HA -0.271 3.849 4.120 0.000 0.000 0.246 234 V C 2.353 177.998 176.094 -0.747 0.000 1.049 234 V CA 2.067 64.099 62.300 -0.447 0.000 1.024 234 V CB -0.816 30.715 31.823 -0.486 0.000 0.648 234 V HN 0.512 nan 8.190 nan 0.000 0.447 235 E N -0.169 119.481 120.200 -0.917 0.000 2.058 235 E HA -0.256 4.094 4.350 0.000 0.000 0.194 235 E C 2.264 178.632 176.600 -0.386 0.000 0.997 235 E CA 1.516 57.383 56.400 -0.887 0.000 0.801 235 E CB -0.002 29.399 29.700 -0.498 0.000 0.746 235 E HN 0.548 nan 8.360 nan 0.000 0.450 236 E N 0.310 120.386 120.200 -0.208 0.000 2.107 236 E HA -0.120 4.230 4.350 0.000 0.000 0.191 236 E C 2.287 178.841 176.600 -0.075 0.000 0.982 236 E CA 0.490 56.851 56.400 -0.066 0.000 0.809 236 E CB -0.151 29.582 29.700 0.055 0.000 0.756 236 E HN 0.372 nan 8.360 nan 0.000 0.459 237 L N 0.819 121.966 121.223 -0.127 0.000 2.093 237 L HA -0.201 4.139 4.340 0.000 0.000 0.208 237 L C 2.304 179.108 176.870 -0.109 0.000 1.085 237 L CA 1.436 56.209 54.840 -0.113 0.000 0.755 237 L CB -0.285 41.695 42.059 -0.132 0.000 0.904 237 L HN 0.085 nan 8.230 nan 0.000 0.435 238 D N 0.059 120.351 120.400 -0.179 0.000 2.117 238 D HA -0.257 4.383 4.640 0.000 0.000 0.197 238 D C 2.215 178.490 176.300 -0.041 0.000 0.987 238 D CA 1.379 55.310 54.000 -0.115 0.000 0.829 238 D CB 0.129 40.823 40.800 -0.176 0.000 0.961 238 D HN 0.078 nan 8.370 nan 0.000 0.460 239 K N -0.380 119.993 120.400 -0.045 0.000 2.031 239 K HA -0.052 4.268 4.320 0.000 0.000 0.205 239 K C 2.090 178.692 176.600 0.003 0.000 1.049 239 K CA 1.082 57.369 56.287 -0.000 0.000 0.939 239 K CB -0.210 32.295 32.500 0.007 0.000 0.717 239 K HN 0.147 nan 8.250 nan 0.000 0.438 240 A N 1.319 124.137 122.820 -0.004 0.000 1.902 240 A HA -0.131 4.189 4.320 0.000 0.000 0.217 240 A C 2.081 179.663 177.584 -0.003 0.000 1.181 240 A CA 1.420 53.462 52.037 0.008 0.000 0.623 240 A CB -0.580 18.429 19.000 0.015 0.000 0.818 240 A HN 0.343 nan 8.150 nan 0.000 0.443 241 I N -0.357 120.203 120.570 -0.016 0.000 2.179 241 I HA -0.237 3.933 4.170 0.000 0.000 0.242 241 I C 2.719 178.827 176.117 -0.014 0.000 1.088 241 I CA 1.493 62.780 61.300 -0.021 0.000 1.357 241 I CB -0.335 37.647 38.000 -0.031 0.000 1.051 241 I HN 0.226 nan 8.210 nan 0.000 0.409 242 S N 0.133 115.830 115.700 -0.005 0.000 2.370 242 S HA -0.241 4.229 4.470 0.000 0.000 0.226 242 S C 1.912 176.513 174.600 0.001 0.000 1.033 242 S CA 1.494 59.695 58.200 0.002 0.000 1.011 242 S CB -0.290 62.919 63.200 0.016 0.000 0.852 242 S HN 0.435 nan 8.310 nan 0.000 0.457 243 E N 0.838 121.041 120.200 0.005 0.000 2.051 243 E HA -0.082 4.269 4.350 0.000 0.000 0.192 243 E C 2.255 178.854 176.600 -0.002 0.000 0.991 243 E CA 1.045 57.449 56.400 0.006 0.000 0.799 243 E CB -0.212 29.497 29.700 0.015 0.000 0.748 243 E HN 0.509 nan 8.360 nan 0.000 0.449 244 A N 0.353 123.169 122.820 -0.007 0.000 2.014 244 A HA -0.164 4.156 4.320 0.000 0.000 0.218 244 A C 0.668 178.237 177.584 -0.025 0.000 1.163 244 A CA 0.849 52.876 52.037 -0.017 0.000 0.652 244 A CB -0.177 18.810 19.000 -0.021 0.000 0.808 244 A HN 0.304 nan 8.150 nan 0.000 0.449 245 Q N -0.972 118.814 119.800 -0.024 0.000 2.463 245 Q HA -0.188 4.152 4.340 0.000 0.000 0.299 245 Q C -0.230 175.745 176.000 -0.042 0.000 1.353 245 Q CA 0.799 56.585 55.803 -0.029 0.000 0.828 245 Q CB -2.100 26.622 28.738 -0.026 0.000 1.157 245 Q HN 0.930 nan 8.270 nan 0.000 0.436 246 I N -2.993 117.549 120.570 -0.047 0.000 2.488 246 I HA 0.449 4.619 4.170 0.000 0.000 0.299 246 I C 0.324 176.396 176.117 -0.075 0.000 0.984 246 I CA -0.683 60.580 61.300 -0.062 0.000 1.250 246 I CB 1.309 39.269 38.000 -0.066 0.000 1.389 246 I HN -0.141 nan 8.210 nan 0.000 0.488 247 D N 4.469 124.813 120.400 -0.095 0.000 2.619 247 D HA 0.271 4.911 4.640 0.000 0.000 0.224 247 D C -0.862 175.335 176.300 -0.172 0.000 1.133 247 D CA 0.143 54.070 54.000 -0.122 0.000 1.017 247 D CB 0.043 40.764 40.800 -0.132 0.000 1.077 247 D HN 0.710 nan 8.370 nan 0.000 0.503 248 T N 1.586 116.045 114.554 -0.159 0.000 2.912 248 T HA 0.467 4.817 4.350 0.000 0.000 0.299 248 T C -0.239 174.370 174.700 -0.153 0.000 1.052 248 T CA -0.868 61.111 62.100 -0.201 0.000 0.996 248 T CB 2.107 70.886 68.868 -0.148 0.000 1.070 248 T HN 0.029 nan 8.240 nan 0.000 0.465 249 K N 1.213 121.507 120.400 -0.177 0.000 2.352 249 K HA 0.712 5.032 4.320 0.000 0.000 0.240 249 K C -0.900 175.738 176.600 0.062 0.000 1.017 249 K CA -0.941 55.323 56.287 -0.039 0.000 0.851 249 K CB 2.016 34.510 32.500 -0.009 0.000 1.261 249 K HN 0.428 nan 8.250 nan 0.000 0.451 250 I N 2.084 122.722 120.570 0.113 0.000 2.336 250 I HA 0.259 4.429 4.170 0.000 0.000 0.292 250 I C -1.000 175.224 176.117 0.178 0.000 0.991 250 I CA -0.834 60.529 61.300 0.106 0.000 1.227 250 I CB 1.141 39.151 38.000 0.018 0.000 1.366 250 I HN 0.214 nan 8.210 nan 0.000 0.466 251 L N 8.750 130.069 121.223 0.160 0.000 2.325 251 L HA 0.692 5.032 4.340 0.000 0.000 0.281 251 L C -0.511 176.413 176.870 0.090 0.000 1.004 251 L CA -0.274 54.642 54.840 0.126 0.000 0.823 251 L CB 1.104 43.220 42.059 0.095 0.000 1.236 251 L HN 0.575 nan 8.230 nan 0.000 0.415 252 I N 2.587 123.221 120.570 0.108 0.000 3.206 252 I HA 0.739 4.909 4.170 0.000 0.000 0.313 252 I C -2.224 173.948 176.117 0.092 0.000 1.103 252 I CA -1.801 59.568 61.300 0.115 0.000 0.985 252 I CB 2.358 40.443 38.000 0.141 0.000 1.240 252 I HN 0.398 nan 8.210 nan 0.000 0.464 253 P HA 0.137 nan 4.420 nan 0.000 0.275 253 P C -0.418 176.868 177.300 -0.024 0.000 1.310 253 P CA 0.235 63.362 63.100 0.043 0.000 0.904 253 P CB 0.254 31.989 31.700 0.059 0.000 1.381 254 E N -0.539 119.623 120.200 -0.064 0.000 2.539 254 E HA -0.133 4.217 4.350 0.000 0.000 0.253 254 E C 0.465 176.801 176.600 -0.440 0.000 1.145 254 E CA 0.655 56.943 56.400 -0.188 0.000 0.738 254 E CB -2.440 27.258 29.700 -0.003 0.000 1.308 254 E HN 0.329 nan 8.360 nan 0.000 0.409 255 V N -2.600 117.153 119.914 -0.269 0.000 2.788 255 V HA 0.235 4.355 4.120 0.000 0.000 0.307 255 V C 1.798 177.717 176.094 -0.291 0.000 1.069 255 V CA 0.865 63.042 62.300 -0.205 0.000 1.173 255 V CB 1.358 33.166 31.823 -0.025 0.000 0.925 255 V HN 0.190 nan 8.190 nan 0.000 0.492 256 G N 1.785 110.543 108.800 -0.069 0.000 2.623 256 G HA2 0.046 4.006 3.960 0.000 0.000 0.214 256 G HA3 0.046 4.006 3.960 0.000 0.000 0.214 256 G C 0.306 175.455 174.900 0.415 0.000 1.138 256 G CA 0.728 45.943 45.100 0.192 0.000 0.794 256 G HN 0.880 nan 8.290 nan 0.000 0.535 257 D N -1.082 119.563 120.400 0.410 0.000 2.964 257 D HA 0.314 4.954 4.640 0.000 0.000 0.234 257 D C 1.142 177.679 176.300 0.395 0.000 1.223 257 D CA -0.642 53.652 54.000 0.489 0.000 0.889 257 D CB 1.657 42.810 40.800 0.588 0.000 1.609 257 D HN -0.092 nan 8.370 nan 0.000 0.523 258 M N 2.363 122.143 119.600 0.299 0.000 2.460 258 M HA -0.095 4.385 4.480 0.000 0.000 0.263 258 M C 1.924 178.360 176.300 0.226 0.000 1.071 258 M CA 0.887 56.322 55.300 0.225 0.000 1.096 258 M CB 0.042 32.764 32.600 0.204 0.000 1.408 258 M HN 0.411 nan 8.290 nan 0.000 0.463 259 K N -0.076 120.462 120.400 0.230 0.000 2.152 259 K HA -0.193 4.127 4.320 0.000 0.000 0.206 259 K C 1.072 177.704 176.600 0.053 0.000 1.048 259 K CA 1.621 58.013 56.287 0.175 0.000 0.933 259 K CB -0.680 31.808 32.500 -0.019 0.000 0.721 259 K HN 0.308 nan 8.250 nan 0.000 0.447 260 Y N 1.558 121.925 120.300 0.112 0.000 2.616 260 Y HA 0.049 4.599 4.550 -0.000 0.000 0.296 260 Y C 1.736 177.605 175.900 -0.051 0.000 1.154 260 Y CA 0.447 58.581 58.100 0.057 0.000 1.325 260 Y CB -0.134 38.361 38.460 0.059 0.000 1.007 260 Y HN -0.032 nan 8.280 nan 0.000 0.542 261 L N -1.313 119.828 121.223 -0.136 0.000 2.465 261 L HA -0.054 4.286 4.340 0.000 0.000 0.224 261 L C -0.313 176.169 176.870 -0.646 0.000 1.145 261 L CA 0.525 55.072 54.840 -0.489 0.000 0.834 261 L CB -0.285 41.282 42.059 -0.819 0.000 0.944 261 L HN 0.048 nan 8.230 nan 0.000 0.451 262 F N -1.653 118.347 119.950 0.082 0.000 2.631 262 F HA 0.361 4.888 4.527 -0.000 0.000 0.328 262 F C 0.463 176.286 175.800 0.038 0.000 1.067 262 F CA -1.414 56.623 58.000 0.062 0.000 0.969 262 F CB 0.790 39.804 39.000 0.024 0.000 1.332 262 F HN -0.303 nan 8.300 nan 0.000 0.490 263 E N 1.245 121.578 120.200 0.222 0.000 2.344 263 E HA 0.266 4.616 4.350 0.000 0.000 0.270 263 E C 0.286 176.934 176.600 0.079 0.000 1.021 263 E CA 0.127 56.596 56.400 0.116 0.000 0.887 263 E CB 0.505 30.243 29.700 0.064 0.000 0.997 263 E HN 0.685 nan 8.360 nan 0.000 0.429 264 I N 0.547 121.147 120.570 0.049 0.000 4.624 264 I HA 0.348 4.518 4.170 0.000 0.000 0.327 264 I C -0.287 175.837 176.117 0.013 0.000 1.295 264 I CA -0.456 60.847 61.300 0.004 0.000 1.267 264 I CB 0.564 38.517 38.000 -0.078 0.000 1.249 264 I HN 0.383 nan 8.210 nan 0.000 0.440 265 D N -0.081 120.343 120.400 0.041 0.000 2.768 265 D HA 0.262 4.902 4.640 0.000 0.000 0.327 265 D C -0.222 176.110 176.300 0.054 0.000 1.302 265 D CA -0.369 53.657 54.000 0.043 0.000 0.897 265 D CB 1.143 41.974 40.800 0.052 0.000 1.420 265 D HN -0.179 nan 8.370 nan 0.000 0.494 266 S N -1.119 114.611 115.700 0.049 0.000 2.517 266 S HA 0.284 4.754 4.470 0.000 0.000 0.214 266 S C 0.843 175.480 174.600 0.060 0.000 0.991 266 S CA -0.363 57.865 58.200 0.048 0.000 0.906 266 S CB -0.335 62.885 63.200 0.033 0.000 0.789 266 S HN 0.373 nan 8.310 nan 0.000 0.513 267 I N 2.186 122.800 120.570 0.072 0.000 2.517 267 I HA 0.101 4.271 4.170 0.000 0.000 0.285 267 I C 1.424 177.606 176.117 0.107 0.000 1.106 267 I CA -0.448 60.901 61.300 0.082 0.000 1.402 267 I CB 0.785 38.837 38.000 0.085 0.000 1.399 267 I HN 0.106 nan 8.210 nan 0.000 0.535 268 A N 7.512 130.393 122.820 0.101 0.000 1.933 268 A HA -0.184 4.136 4.320 0.000 0.000 0.218 268 A C 2.252 179.919 177.584 0.138 0.000 1.175 268 A CA 1.577 53.682 52.037 0.113 0.000 0.628 268 A CB -0.411 18.649 19.000 0.099 0.000 0.814 268 A HN 0.888 nan 8.150 nan 0.000 0.444 269 K N -0.480 120.018 120.400 0.162 0.000 2.209 269 K HA -0.052 4.268 4.320 0.000 0.000 0.204 269 K C 0.008 176.783 176.600 0.291 0.000 1.048 269 K CA 1.258 57.684 56.287 0.231 0.000 0.940 269 K CB -0.886 31.785 32.500 0.286 0.000 0.729 269 K HN 0.225 nan 8.250 nan 0.000 0.451 270 T N 4.905 119.623 114.554 0.273 0.000 2.871 270 T HA 0.054 4.404 4.350 0.000 0.000 0.296 270 T C -2.284 172.526 174.700 0.184 0.000 0.998 270 T CA -0.979 61.296 62.100 0.293 0.000 1.162 270 T CB 0.954 69.992 68.868 0.282 0.000 0.947 270 T HN 0.219 nan 8.240 nan 0.000 0.536 271 P HA 0.168 nan 4.420 nan 0.000 0.218 271 P C -0.404 177.002 177.300 0.177 0.000 1.793 271 P CA -0.432 62.683 63.100 0.025 0.000 0.941 271 P CB -0.239 31.373 31.700 -0.146 0.000 1.919 272 D N -1.095 119.468 120.400 0.271 0.000 2.529 272 D HA 0.153 4.793 4.640 0.000 0.000 0.273 272 D C 0.419 176.825 176.300 0.178 0.000 1.197 272 D CA -0.586 53.590 54.000 0.293 0.000 1.070 272 D CB -0.195 40.749 40.800 0.241 0.000 1.134 272 D HN -0.111 nan 8.370 nan 0.000 0.590 273 D N -1.750 118.738 120.400 0.147 0.000 2.870 273 D HA -0.154 4.486 4.640 0.000 0.000 0.228 273 D C 0.868 177.253 176.300 0.142 0.000 1.147 273 D CA 0.228 54.311 54.000 0.138 0.000 0.757 273 D CB -0.775 40.108 40.800 0.139 0.000 1.091 273 D HN 0.357 nan 8.370 nan 0.000 0.429 274 I N 0.169 120.805 120.570 0.111 0.000 2.208 274 I HA -0.246 3.924 4.170 0.000 0.000 0.245 274 I C 2.569 178.836 176.117 0.249 0.000 1.097 274 I CA 1.058 62.458 61.300 0.167 0.000 1.363 274 I CB -0.762 37.315 38.000 0.127 0.000 1.051 274 I HN 0.348 nan 8.210 nan 0.000 0.413 275 I N -0.163 120.473 120.570 0.111 0.000 2.113 275 I HA -0.327 3.843 4.170 0.000 0.000 0.238 275 I C 2.690 178.914 176.117 0.178 0.000 1.070 275 I CA 1.394 62.775 61.300 0.134 0.000 1.332 275 I CB -0.632 37.342 38.000 -0.044 0.000 1.044 275 I HN 0.267 nan 8.210 nan 0.000 0.402 276 H N -0.826 118.275 119.070 0.052 0.000 2.428 276 H HA -0.083 4.473 4.556 0.000 0.000 0.296 276 H C 2.499 177.853 175.328 0.043 0.000 1.062 276 H CA 1.629 57.585 56.048 -0.153 0.000 1.350 276 H CB 0.136 29.709 29.762 -0.316 0.000 1.403 276 H HN 0.267 nan 8.280 nan 0.000 0.533 277 S N -0.309 115.516 115.700 0.210 0.000 2.406 277 S HA 0.019 4.489 4.470 0.000 0.000 0.224 277 S C 1.963 176.684 174.600 0.202 0.000 1.030 277 S CA 0.420 58.743 58.200 0.205 0.000 0.958 277 S CB 0.210 63.557 63.200 0.246 0.000 0.811 277 S HN 0.252 nan 8.310 nan 0.000 0.489 278 M N -1.222 118.491 119.600 0.189 0.000 2.571 278 M HA 0.324 4.804 4.480 0.000 0.000 0.259 278 M C 0.126 176.249 176.300 -0.294 0.000 1.205 278 M CA 0.443 55.742 55.300 -0.001 0.000 1.138 278 M CB 0.400 32.979 32.600 -0.035 0.000 1.329 278 M HN 0.237 nan 8.290 nan 0.000 0.503 279 F N -0.847 119.177 119.950 0.123 0.000 2.698 279 F HA 0.322 4.849 4.527 -0.000 0.000 0.304 279 F C -0.324 175.514 175.800 0.063 0.000 1.108 279 F CA -0.438 57.598 58.000 0.061 0.000 1.263 279 F CB 0.399 39.416 39.000 0.029 0.000 1.013 279 F HN -0.096 nan 8.300 nan 0.000 0.532 280 Y N -0.098 120.205 120.300 0.005 0.000 2.429 280 Y HA 0.262 4.812 4.550 0.000 0.000 0.342 280 Y C 1.244 177.111 175.900 -0.056 0.000 1.004 280 Y CA -1.040 57.045 58.100 -0.025 0.000 1.075 280 Y CB 1.516 39.977 38.460 0.002 0.000 1.214 280 Y HN -0.150 nan 8.280 nan 0.000 0.455 281 K N 0.405 120.800 120.400 -0.009 0.000 2.211 281 K HA -0.161 4.159 4.320 0.000 0.000 0.204 281 K C 0.530 177.133 176.600 0.005 0.000 1.047 281 K CA 1.711 57.966 56.287 -0.054 0.000 0.935 281 K CB 0.054 32.513 32.500 -0.069 0.000 0.728 281 K HN 0.630 nan 8.250 nan 0.000 0.452 282 D N -0.836 119.612 120.400 0.080 0.000 2.402 282 D HA 0.047 4.687 4.640 0.000 0.000 0.216 282 D C 0.549 176.879 176.300 0.049 0.000 1.128 282 D CA -0.326 53.706 54.000 0.054 0.000 0.833 282 D CB -0.230 40.611 40.800 0.067 0.000 0.971 282 D HN 0.012 nan 8.370 nan 0.000 0.503 283 G N 0.692 109.540 108.800 0.080 0.000 2.491 283 G HA2 0.023 3.983 3.960 0.000 0.000 0.242 283 G HA3 0.023 3.983 3.960 0.000 0.000 0.242 283 G C 0.623 175.500 174.900 -0.039 0.000 1.266 283 G CA -0.351 44.784 45.100 0.058 0.000 0.844 283 G HN 0.192 nan 8.290 nan 0.000 0.571 284 Q N 0.595 120.332 119.800 -0.105 0.000 2.152 284 Q HA -0.161 4.179 4.340 0.000 0.000 0.206 284 Q C 0.279 175.931 176.000 -0.581 0.000 0.985 284 Q CA 1.483 57.068 55.803 -0.364 0.000 0.863 284 Q CB -0.097 28.367 28.738 -0.455 0.000 0.904 284 Q HN 0.692 nan 8.270 nan 0.000 0.422 285 Y N -0.105 120.154 120.300 -0.068 0.000 2.722 285 Y HA 0.321 4.871 4.550 0.000 0.000 0.314 285 Y C -0.248 175.726 175.900 0.122 0.000 1.008 285 Y CA -0.540 57.519 58.100 -0.068 0.000 1.294 285 Y CB 0.762 39.224 38.460 0.003 0.000 1.231 285 Y HN -0.092 nan 8.280 nan 0.000 0.558 286 S N 0.773 116.565 115.700 0.154 0.000 2.516 286 S HA 0.173 4.643 4.470 0.000 0.000 0.282 286 S C 1.148 175.844 174.600 0.160 0.000 1.286 286 S CA -0.244 58.004 58.200 0.081 0.000 1.066 286 S CB 0.533 63.733 63.200 -0.001 0.000 0.884 286 S HN 0.404 nan 8.310 nan 0.000 0.491 287 V N 4.867 124.768 119.914 -0.023 0.000 3.621 287 V HA 0.221 4.342 4.120 0.000 0.000 0.285 287 V C 1.664 177.747 176.094 -0.018 0.000 1.346 287 V CA 0.332 62.684 62.300 0.087 0.000 1.104 287 V CB -0.819 30.971 31.823 -0.055 0.000 0.913 287 V HN 0.828 nan 8.190 nan 0.000 0.432 288 L N 1.468 122.576 121.223 -0.192 0.000 2.261 288 L HA -0.151 4.189 4.340 0.000 0.000 0.216 288 L C 2.545 179.307 176.870 -0.181 0.000 1.114 288 L CA 2.221 56.918 54.840 -0.238 0.000 0.777 288 L CB -0.582 41.202 42.059 -0.459 0.000 0.910 288 L HN 0.554 nan 8.230 nan 0.000 0.440 289 K N -0.829 119.409 120.400 -0.270 0.000 2.426 289 K HA 0.018 4.338 4.320 0.000 0.000 0.193 289 K C 0.068 176.475 176.600 -0.321 0.000 1.028 289 K CA 0.059 56.161 56.287 -0.309 0.000 1.047 289 K CB -0.062 32.181 32.500 -0.429 0.000 0.821 289 K HN -0.058 nan 8.250 nan 0.000 0.513 290 F N 2.852 122.769 119.950 -0.055 0.000 2.445 290 F HA 0.243 4.770 4.527 0.000 0.000 0.359 290 F C 1.575 177.366 175.800 -0.016 0.000 1.101 290 F CA -0.952 57.018 58.000 -0.051 0.000 1.177 290 F CB 1.326 40.270 39.000 -0.093 0.000 1.110 290 F HN -0.091 nan 8.300 nan 0.000 0.522 291 K N 2.105 122.603 120.400 0.164 0.000 2.077 291 K HA -0.259 4.061 4.320 0.000 0.000 0.213 291 K C 1.036 177.695 176.600 0.099 0.000 1.051 291 K CA 1.965 58.314 56.287 0.103 0.000 0.929 291 K CB 0.037 32.584 32.500 0.079 0.000 0.715 291 K HN 0.574 nan 8.250 nan 0.000 0.451 292 N N 0.654 119.414 118.700 0.101 0.000 2.270 292 N HA -0.004 4.736 4.740 0.000 0.000 0.198 292 N C -0.194 175.364 175.510 0.080 0.000 1.117 292 N CA -0.051 53.036 53.050 0.062 0.000 0.845 292 N CB 0.143 38.642 38.487 0.020 0.000 0.980 292 N HN 0.103 nan 8.380 nan 0.000 0.486 293 L N 1.615 122.912 121.223 0.122 0.000 2.455 293 L HA 0.124 4.464 4.340 0.000 0.000 0.272 293 L C -0.129 176.870 176.870 0.215 0.000 1.174 293 L CA -0.212 54.712 54.840 0.141 0.000 0.869 293 L CB 0.067 42.211 42.059 0.141 0.000 1.130 293 L HN -0.060 nan 8.230 nan 0.000 0.474 294 F N 5.252 125.224 119.950 0.037 0.000 2.502 294 F HA 0.153 4.680 4.527 -0.000 0.000 0.371 294 F C 0.667 176.488 175.800 0.035 0.000 1.083 294 F CA -0.683 57.327 58.000 0.016 0.000 1.174 294 F CB -0.301 38.685 39.000 -0.022 0.000 1.096 294 F HN 0.635 nan 8.300 nan 0.000 0.545 295 N N 6.187 124.861 118.700 -0.043 0.000 2.744 295 N HA 0.133 4.873 4.740 0.000 0.000 0.290 295 N C -1.341 173.902 175.510 -0.445 0.000 1.206 295 N CA 0.279 53.280 53.050 -0.082 0.000 1.119 295 N CB -0.422 38.117 38.487 0.087 0.000 1.449 295 N HN 0.617 nan 8.380 nan 0.000 0.514 296 C N 2.134 121.113 119.300 -0.536 0.000 3.254 296 C HA 0.412 4.872 4.460 0.000 0.000 0.405 296 C C -1.336 173.229 174.990 -0.707 0.000 1.027 296 C CA -0.742 57.769 59.018 -0.845 0.000 1.192 296 C CB 0.282 26.916 27.740 -1.843 0.000 1.567 296 C HN 0.213 nan 8.230 nan 0.000 0.582 297 V N 4.694 124.181 119.914 -0.711 0.000 2.427 297 V HA 0.781 4.901 4.120 0.000 0.000 0.286 297 V C 0.678 176.516 176.094 -0.427 0.000 1.034 297 V CA 0.077 61.966 62.300 -0.685 0.000 0.893 297 V CB 1.453 32.899 31.823 -0.629 0.000 0.982 297 V HN 1.204 nan 8.190 nan 0.000 0.452 298 A N 4.114 126.747 122.820 -0.312 0.000 2.288 298 A HA 0.954 5.274 4.320 0.000 0.000 0.320 298 A C -0.051 177.451 177.584 -0.138 0.000 1.217 298 A CA -0.116 51.765 52.037 -0.260 0.000 0.840 298 A CB 1.143 20.067 19.000 -0.127 0.000 1.179 298 A HN 1.371 nan 8.150 nan 0.000 0.504 299 A N 2.322 125.074 122.820 -0.113 0.000 2.566 299 A HA 0.774 5.094 4.320 0.000 0.000 0.292 299 A C -0.774 176.900 177.584 0.150 0.000 1.112 299 A CA -0.645 51.417 52.037 0.042 0.000 0.707 299 A CB 0.844 19.993 19.000 0.248 0.000 1.302 299 A HN 0.951 nan 8.150 nan 0.000 0.409 300 H N 0.035 119.126 119.070 0.036 0.000 2.502 300 H HA 0.265 4.821 4.556 -0.000 0.000 0.338 300 H C -0.335 174.962 175.328 -0.051 0.000 1.155 300 H CA -0.892 55.115 56.048 -0.069 0.000 1.237 300 H CB 1.674 31.473 29.762 0.060 0.000 1.534 300 H HN 0.683 nan 8.280 nan 0.000 0.523 301 D N 1.441 121.776 120.400 -0.107 0.000 2.363 301 D HA -0.075 4.565 4.640 0.000 0.000 0.220 301 D C -0.096 176.217 176.300 0.021 0.000 0.994 301 D CA 0.596 54.559 54.000 -0.061 0.000 0.890 301 D CB 0.198 40.864 40.800 -0.223 0.000 0.906 301 D HN 0.384 nan 8.370 nan 0.000 0.530 302 Y N -0.080 120.303 120.300 0.138 0.000 2.805 302 Y HA -0.139 4.411 4.550 0.000 0.000 0.337 302 Y C 0.777 176.599 175.900 -0.129 0.000 1.252 302 Y CA 0.085 58.056 58.100 -0.214 0.000 1.515 302 Y CB -0.272 37.898 38.460 -0.484 0.000 1.305 302 Y HN 0.106 nan 8.280 nan 0.000 0.600 303 W N -0.646 120.911 121.300 0.428 0.000 2.902 303 W HA -0.332 4.328 4.660 0.000 0.000 0.278 303 W C 1.183 177.842 176.519 0.233 0.000 1.066 303 W CA 0.689 58.209 57.345 0.291 0.000 0.570 303 W CB -1.897 27.702 29.460 0.231 0.000 2.092 303 W HN 0.523 nan 8.180 nan 0.000 1.423 304 S N -1.736 114.151 115.700 0.311 0.000 2.819 304 S HA 0.656 5.126 4.470 0.000 0.000 0.249 304 S C 0.940 175.614 174.600 0.123 0.000 1.030 304 S CA 0.059 58.386 58.200 0.211 0.000 1.052 304 S CB 0.691 63.999 63.200 0.181 0.000 1.017 304 S HN 0.457 nan 8.310 nan 0.000 0.576 305 A N 0.502 123.408 122.820 0.144 0.000 2.308 305 A HA 0.561 4.881 4.320 0.000 0.000 0.217 305 A C 0.024 177.664 177.584 0.093 0.000 1.216 305 A CA -0.068 51.977 52.037 0.013 0.000 0.864 305 A CB -0.059 18.891 19.000 -0.084 0.000 0.902 305 A HN 0.760 nan 8.150 nan 0.000 0.499 306 Y N 0.118 120.472 120.300 0.089 0.000 2.474 306 Y HA 0.453 5.003 4.550 0.000 0.000 0.326 306 Y C -2.727 173.256 175.900 0.137 0.000 1.160 306 Y CA -1.967 56.208 58.100 0.125 0.000 1.056 306 Y CB 1.620 40.245 38.460 0.275 0.000 1.330 306 Y HN 0.067 nan 8.280 nan 0.000 0.447 307 P HA 0.259 nan 4.420 nan 0.000 0.274 307 P C 0.114 177.215 177.300 -0.332 0.000 1.260 307 P CA 0.350 62.990 63.100 -0.766 0.000 0.793 307 P CB 0.893 32.259 31.700 -0.556 0.000 1.048 308 A N 0.332 122.969 122.820 -0.305 0.000 1.972 308 A HA -0.151 4.169 4.320 0.000 0.000 0.219 308 A C 2.083 179.584 177.584 -0.138 0.000 1.169 308 A CA 2.337 54.261 52.037 -0.187 0.000 0.635 308 A CB -1.924 16.974 19.000 -0.170 0.000 0.810 308 A HN 0.738 nan 8.150 nan 0.000 0.446 309 T N -1.599 112.876 114.554 -0.133 0.000 2.708 309 T HA -0.161 4.189 4.350 0.000 0.000 0.266 309 T C 1.783 176.438 174.700 -0.076 0.000 1.037 309 T CA 1.452 63.496 62.100 -0.093 0.000 1.146 309 T CB -0.578 68.239 68.868 -0.084 0.000 0.865 309 T HN 0.214 nan 8.240 nan 0.000 0.435 310 L N 1.358 122.538 121.223 -0.072 0.000 1.989 310 L HA 0.106 4.446 4.340 0.000 0.000 0.211 310 L C 2.414 179.266 176.870 -0.029 0.000 1.071 310 L CA 1.660 56.480 54.840 -0.034 0.000 0.749 310 L CB -1.402 40.659 42.059 0.003 0.000 0.890 310 L HN 0.364 nan 8.230 nan 0.000 0.431 311 L N -0.555 120.640 121.223 -0.047 0.000 1.978 311 L HA -0.220 4.120 4.340 0.000 0.000 0.218 311 L C 2.531 179.367 176.870 -0.058 0.000 1.075 311 L CA 2.741 57.546 54.840 -0.059 0.000 0.767 311 L CB -0.945 41.049 42.059 -0.108 0.000 0.890 311 L HN 0.337 nan 8.230 nan 0.000 0.434 312 V N -3.563 116.312 119.914 -0.066 0.000 2.488 312 V HA -0.109 4.011 4.120 0.000 0.000 0.246 312 V C 2.124 178.187 176.094 -0.051 0.000 1.046 312 V CA 1.649 63.914 62.300 -0.058 0.000 1.053 312 V CB -0.949 30.840 31.823 -0.057 0.000 0.679 312 V HN 0.414 nan 8.190 nan 0.000 0.458 313 D N 0.645 121.013 120.400 -0.054 0.000 2.084 313 D HA -0.103 4.537 4.640 0.000 0.000 0.196 313 D C 2.033 178.293 176.300 -0.067 0.000 0.985 313 D CA 2.037 56.000 54.000 -0.062 0.000 0.826 313 D CB -0.285 40.473 40.800 -0.070 0.000 0.978 313 D HN 0.524 nan 8.370 nan 0.000 0.456 314 I N 0.569 121.112 120.570 -0.045 0.000 2.163 314 I HA -0.296 3.874 4.170 0.000 0.000 0.243 314 I C 2.282 178.409 176.117 0.017 0.000 1.085 314 I CA 1.377 62.671 61.300 -0.010 0.000 1.347 314 I CB 0.150 38.188 38.000 0.063 0.000 1.044 314 I HN -0.100 nan 8.210 nan 0.000 0.408 315 R N 0.227 120.717 120.500 -0.017 0.000 2.092 315 R HA -0.103 4.237 4.340 0.000 0.000 0.231 315 R C 2.090 178.365 176.300 -0.042 0.000 1.119 315 R CA 1.348 57.416 56.100 -0.053 0.000 0.970 315 R CB -0.380 29.883 30.300 -0.062 0.000 0.864 315 R HN 0.431 nan 8.270 nan 0.000 0.440 316 N N 0.632 119.317 118.700 -0.026 0.000 2.166 316 N HA -0.179 4.561 4.740 0.000 0.000 0.186 316 N C 1.680 177.211 175.510 0.035 0.000 1.019 316 N CA 1.035 54.090 53.050 0.008 0.000 0.856 316 N CB -0.128 38.352 38.487 -0.011 0.000 0.993 316 N HN 0.221 nan 8.380 nan 0.000 0.426 317 R N 0.849 121.346 120.500 -0.004 0.000 2.092 317 R HA 0.050 4.390 4.340 0.000 0.000 0.231 317 R C 2.217 178.634 176.300 0.194 0.000 1.119 317 R CA 0.608 56.695 56.100 -0.022 0.000 0.970 317 R CB -0.107 30.005 30.300 -0.313 0.000 0.864 317 R HN 0.155 nan 8.270 nan 0.000 0.440 318 I N -0.329 120.380 120.570 0.232 0.000 2.127 318 I HA -0.325 3.845 4.170 0.000 0.000 0.241 318 I C 2.390 178.527 176.117 0.034 0.000 1.075 318 I CA 1.761 63.125 61.300 0.107 0.000 1.334 318 I CB -0.523 37.306 38.000 -0.285 0.000 1.040 318 I HN 0.323 nan 8.210 nan 0.000 0.405 319 H N 1.361 120.388 119.070 -0.072 0.000 2.319 319 H HA -0.220 4.336 4.556 0.000 0.000 0.299 319 H C 2.235 177.576 175.328 0.021 0.000 1.092 319 H CA 2.109 58.133 56.048 -0.039 0.000 1.302 319 H CB -0.074 29.657 29.762 -0.052 0.000 1.373 319 H HN 0.106 nan 8.280 nan 0.000 0.497 320 K N -0.005 120.377 120.400 -0.030 0.000 1.987 320 K HA -0.201 4.119 4.320 0.000 0.000 0.216 320 K C 2.042 178.646 176.600 0.007 0.000 1.051 320 K CA 2.029 58.293 56.287 -0.038 0.000 0.942 320 K CB 0.006 32.523 32.500 0.028 0.000 0.722 320 K HN 0.358 nan 8.250 nan 0.000 0.444 321 E N 0.725 120.997 120.200 0.120 0.000 2.072 321 E HA -0.187 4.163 4.350 0.000 0.000 0.191 321 E C 2.065 178.749 176.600 0.140 0.000 0.985 321 E CA 0.741 57.265 56.400 0.207 0.000 0.801 321 E CB -0.356 29.555 29.700 0.353 0.000 0.750 321 E HN 0.248 nan 8.360 nan 0.000 0.452 322 L N 1.635 122.883 121.223 0.042 0.000 2.072 322 L HA -0.086 4.254 4.340 0.000 0.000 0.205 322 L C 2.270 179.098 176.870 -0.071 0.000 1.079 322 L CA 1.852 56.685 54.840 -0.011 0.000 0.752 322 L CB -0.798 41.234 42.059 -0.045 0.000 0.906 322 L HN 0.073 nan 8.230 nan 0.000 0.436 323 S N -0.957 114.651 115.700 -0.153 0.000 2.474 323 S HA -0.024 4.446 4.470 0.000 0.000 0.235 323 S C 1.902 176.436 174.600 -0.109 0.000 0.997 323 S CA 0.620 58.716 58.200 -0.173 0.000 0.949 323 S CB -0.700 62.283 63.200 -0.362 0.000 0.766 323 S HN 0.416 nan 8.310 nan 0.000 0.517 324 A N 2.936 125.720 122.820 -0.059 0.000 2.208 324 A HA 0.043 4.363 4.320 0.000 0.000 0.209 324 A C 1.902 179.397 177.584 -0.149 0.000 1.161 324 A CA 0.815 52.848 52.037 -0.006 0.000 0.782 324 A CB -0.695 18.387 19.000 0.136 0.000 0.816 324 A HN 0.700 nan 8.150 nan 0.000 0.477 325 N N 0.163 118.620 118.700 -0.405 0.000 2.571 325 N HA 0.051 4.791 4.740 0.000 0.000 0.189 325 N C 1.110 176.401 175.510 -0.366 0.000 1.154 325 N CA 1.144 53.675 53.050 -0.866 0.000 0.907 325 N CB -0.852 37.086 38.487 -0.915 0.000 0.977 325 N HN 0.666 nan 8.380 nan 0.000 0.449 326 G N -0.481 108.220 108.800 -0.166 0.000 2.203 326 G HA2 -0.350 3.610 3.960 0.000 0.000 0.263 326 G HA3 -0.350 3.610 3.960 0.000 0.000 0.263 326 G C 0.437 175.341 174.900 0.007 0.000 1.012 326 G CA 0.985 46.049 45.100 -0.060 0.000 0.749 326 G HN 0.676 nan 8.290 nan 0.000 0.512 327 H N -0.596 118.404 119.070 -0.117 0.000 3.058 327 H HA 0.289 4.845 4.556 0.000 0.000 0.266 327 H C 1.359 176.660 175.328 -0.044 0.000 1.135 327 H CA 0.562 56.566 56.048 -0.074 0.000 1.174 327 H CB 0.348 30.062 29.762 -0.080 0.000 1.581 327 H HN 0.330 nan 8.280 nan 0.000 0.553 328 N N 0.540 119.229 118.700 -0.018 0.000 2.780 328 N HA -0.171 4.569 4.740 0.000 0.000 0.248 328 N C -1.162 174.349 175.510 0.003 0.000 1.102 328 N CA 1.056 54.093 53.050 -0.021 0.000 0.697 328 N CB -1.613 36.838 38.487 -0.061 0.000 1.028 328 N HN 0.290 nan 8.380 nan 0.000 0.554 329 T N 1.324 115.891 114.554 0.022 0.000 2.851 329 T HA 0.203 4.553 4.350 0.000 0.000 0.298 329 T C 0.855 175.531 174.700 -0.041 0.000 0.977 329 T CA -0.188 61.910 62.100 -0.004 0.000 1.126 329 T CB 1.092 69.974 68.868 0.023 0.000 0.916 329 T HN 0.126 nan 8.240 nan 0.000 0.529 330 K N 1.434 121.756 120.400 -0.130 0.000 2.102 330 K HA 0.515 4.835 4.320 0.000 0.000 0.244 330 K C -0.701 175.855 176.600 -0.072 0.000 1.021 330 K CA -0.521 55.714 56.287 -0.087 0.000 0.913 330 K CB 0.573 32.981 32.500 -0.153 0.000 1.062 330 K HN 0.496 nan 8.250 nan 0.000 0.485 331 F N 0.865 120.772 119.950 -0.072 0.000 2.547 331 F HA 0.375 4.902 4.527 -0.000 0.000 0.316 331 F C -1.877 174.023 175.800 0.165 0.000 1.121 331 F CA -0.731 57.235 58.000 -0.057 0.000 0.911 331 F CB 1.064 40.045 39.000 -0.031 0.000 1.179 331 F HN 0.370 nan 8.300 nan 0.000 0.443 332 W N 5.096 125.709 121.300 -1.146 0.000 2.656 332 W HA 0.711 5.371 4.660 -0.000 0.000 0.327 332 W C -0.867 174.930 176.519 -1.204 0.000 1.041 332 W CA -1.751 55.077 57.345 -0.862 0.000 1.229 332 W CB 1.783 30.939 29.460 -0.507 0.000 1.397 332 W HN 0.793 nan 8.180 nan 0.000 0.479 333 A N 2.280 124.723 122.820 -0.628 0.000 2.279 333 A HA 0.484 4.804 4.320 0.000 0.000 0.306 333 A C 0.711 177.930 177.584 -0.609 0.000 1.300 333 A CA -0.055 51.679 52.037 -0.505 0.000 0.925 333 A CB 0.216 19.048 19.000 -0.280 0.000 1.152 333 A HN 0.604 nan 8.150 nan 0.000 0.544 334 S N 1.033 116.487 115.700 -0.410 0.000 2.603 334 S HA 0.332 4.802 4.470 0.000 0.000 0.232 334 S C 0.070 174.372 174.600 -0.496 0.000 1.016 334 S CA 0.007 57.994 58.200 -0.354 0.000 0.976 334 S CB 0.101 63.250 63.200 -0.085 0.000 0.921 334 S HN 0.778 nan 8.310 nan 0.000 0.516 335 E N -0.448 119.350 120.200 -0.670 0.000 2.388 335 E HA 0.494 4.844 4.350 0.000 0.000 0.289 335 E C -2.366 173.770 176.600 -0.773 0.000 0.944 335 E CA -0.648 55.282 56.400 -0.783 0.000 0.792 335 E CB 1.813 30.782 29.700 -1.219 0.000 1.239 335 E HN 0.293 nan 8.360 nan 0.000 0.412 336 Y N 3.183 123.024 120.300 -0.766 0.000 2.558 336 Y HA 0.596 5.146 4.550 0.000 0.000 0.333 336 Y C -1.492 174.377 175.900 -0.051 0.000 1.125 336 Y CA -0.663 56.990 58.100 -0.744 0.000 1.039 336 Y CB 1.195 39.284 38.460 -0.618 0.000 1.331 336 Y HN 0.869 nan 8.280 nan 0.000 0.456 337 C N 3.962 122.815 119.300 -0.744 0.000 3.288 337 C HA 0.649 5.109 4.460 0.000 0.000 0.318 337 C C -1.026 173.541 174.990 -0.705 0.000 1.356 337 C CA -1.281 57.586 59.018 -0.252 0.000 1.359 337 C CB 0.658 28.566 27.740 0.280 0.000 1.688 337 C HN 0.768 nan 8.230 nan 0.000 0.467 338 I N 2.590 123.065 120.570 -0.159 0.000 2.671 338 I HA 0.085 4.255 4.170 0.000 0.000 0.285 338 I C 0.484 176.565 176.117 -0.060 0.000 1.148 338 I CA 0.424 61.697 61.300 -0.045 0.000 1.386 338 I CB -0.041 38.008 38.000 0.083 0.000 1.406 338 I HN 0.759 nan 8.210 nan 0.000 0.540 339 L N 5.765 126.929 121.223 -0.099 0.000 2.758 339 L HA 0.178 4.518 4.340 0.000 0.000 0.234 339 L C 1.189 178.067 176.870 0.012 0.000 1.049 339 L CA 0.572 55.363 54.840 -0.082 0.000 0.908 339 L CB -0.046 41.859 42.059 -0.257 0.000 1.362 339 L HN 0.619 nan 8.230 nan 0.000 0.499 340 E N 1.327 121.527 120.200 0.000 0.000 2.392 340 E HA 0.097 4.447 4.350 0.000 0.000 0.259 340 E C -0.863 175.798 176.600 0.102 0.000 1.108 340 E CA -0.240 56.282 56.400 0.205 0.000 0.916 340 E CB 0.740 30.605 29.700 0.275 0.000 0.989 340 E HN 0.150 nan 8.360 nan 0.000 0.432 341 K N 1.690 122.160 120.400 0.117 0.000 2.274 341 K HA 0.340 4.660 4.320 0.000 0.000 0.262 341 K C -0.708 175.871 176.600 -0.036 0.000 0.961 341 K CA -0.624 55.674 56.287 0.019 0.000 0.833 341 K CB 0.987 33.510 32.500 0.038 0.000 1.102 341 K HN 0.704 nan 8.250 nan 0.000 0.436 342 N N -0.311 118.303 118.700 -0.144 0.000 2.961 342 N HA -0.030 4.710 4.740 0.000 0.000 0.245 342 N C 0.162 175.551 175.510 -0.202 0.000 1.404 342 N CA -0.913 51.987 53.050 -0.251 0.000 0.880 342 N CB 0.592 38.657 38.487 -0.703 0.000 1.461 342 N HN 0.496 nan 8.380 nan 0.000 0.510 343 E N -0.530 119.591 120.200 -0.133 0.000 2.204 343 E HA -0.197 4.153 4.350 0.000 0.000 0.195 343 E C 0.534 177.123 176.600 -0.019 0.000 0.990 343 E CA 1.245 57.627 56.400 -0.030 0.000 0.821 343 E CB -0.218 29.511 29.700 0.048 0.000 0.750 343 E HN 0.704 nan 8.360 nan 0.000 0.477 344 E N 0.476 120.655 120.200 -0.035 0.000 2.268 344 E HA -0.097 4.253 4.350 0.000 0.000 0.195 344 E C 1.978 178.556 176.600 -0.038 0.000 0.995 344 E CA 1.471 57.901 56.400 0.051 0.000 0.836 344 E CB -0.033 29.811 29.700 0.240 0.000 0.763 344 E HN 0.687 nan 8.360 nan 0.000 0.491 345 I N -4.392 116.091 120.570 -0.145 0.000 4.864 345 I HA 0.154 4.324 4.170 0.000 0.000 0.337 345 I C 0.203 176.251 176.117 -0.114 0.000 1.283 345 I CA -0.269 60.925 61.300 -0.177 0.000 1.350 345 I CB 1.120 38.877 38.000 -0.405 0.000 1.412 345 I HN -0.308 nan 8.210 nan 0.000 0.487 346 T N 4.013 118.510 114.554 -0.095 0.000 2.733 346 T HA 0.729 5.079 4.350 0.000 0.000 0.294 346 T C -0.578 174.105 174.700 -0.030 0.000 0.956 346 T CA 0.007 62.074 62.100 -0.056 0.000 0.987 346 T CB 1.028 69.866 68.868 -0.051 0.000 0.920 346 T HN 0.285 nan 8.240 nan 0.000 0.470 347 M N 3.475 123.064 119.600 -0.018 0.000 2.751 347 M HA 0.269 4.749 4.480 0.000 0.000 0.276 347 M C -2.789 173.509 176.300 -0.004 0.000 1.002 347 M CA -1.386 53.909 55.300 -0.009 0.000 0.828 347 M CB 1.770 34.364 32.600 -0.010 0.000 1.752 347 M HN 0.299 nan 8.290 nan 0.000 0.556 348 P HA 0.234 nan 4.420 nan 0.000 0.267 348 P C -1.062 176.241 177.300 0.005 0.000 1.200 348 P CA -0.153 62.950 63.100 0.004 0.000 0.772 348 P CB 0.447 32.150 31.700 0.005 0.000 0.855 349 A N 2.658 125.482 122.820 0.007 0.000 2.566 349 A HA 0.412 4.732 4.320 0.000 0.000 0.245 349 A C 0.531 178.122 177.584 0.012 0.000 1.056 349 A CA 0.723 52.767 52.037 0.011 0.000 0.757 349 A CB -0.847 18.161 19.000 0.013 0.000 0.979 349 A HN 0.608 nan 8.150 nan 0.000 0.508 350 S N 1.700 117.408 115.700 0.014 0.000 2.570 350 S HA 0.666 5.136 4.470 0.000 0.000 0.270 350 S C -2.618 171.992 174.600 0.017 0.000 1.149 350 S CA -1.038 57.170 58.200 0.013 0.000 0.837 350 S CB 1.510 64.716 63.200 0.010 0.000 1.124 350 S HN 0.212 nan 8.310 nan 0.000 0.465 351 P HA -0.065 nan 4.420 nan 0.000 0.218 351 P C 0.841 178.152 177.300 0.018 0.000 1.146 351 P CA 1.339 64.450 63.100 0.019 0.000 0.813 351 P CB 0.075 31.784 31.700 0.014 0.000 0.778 352 E N -1.039 119.168 120.200 0.012 0.000 2.072 352 E HA -0.104 4.246 4.350 0.000 0.000 0.190 352 E C 2.170 178.776 176.600 0.011 0.000 0.982 352 E CA 0.688 57.092 56.400 0.008 0.000 0.803 352 E CB -0.582 29.120 29.700 0.003 0.000 0.755 352 E HN 0.055 nan 8.360 nan 0.000 0.453 353 R N 0.560 121.068 120.500 0.012 0.000 2.091 353 R HA -0.135 4.205 4.340 0.000 0.000 0.238 353 R C 2.141 178.457 176.300 0.027 0.000 1.136 353 R CA 1.698 57.805 56.100 0.013 0.000 0.959 353 R CB -0.333 29.972 30.300 0.008 0.000 0.856 353 R HN 0.135 nan 8.270 nan 0.000 0.437 354 S N 0.966 116.687 115.700 0.036 0.000 2.359 354 S HA -0.198 4.272 4.470 0.000 0.000 0.223 354 S C 1.821 176.464 174.600 0.071 0.000 1.039 354 S CA 1.516 59.749 58.200 0.056 0.000 1.042 354 S CB -0.323 62.912 63.200 0.059 0.000 0.915 354 S HN 0.315 nan 8.310 nan 0.000 0.439 355 I N 2.640 123.243 120.570 0.055 0.000 2.353 355 I HA -0.092 4.078 4.170 0.000 0.000 0.248 355 I C 1.589 177.734 176.117 0.047 0.000 1.119 355 I CA 1.036 62.370 61.300 0.055 0.000 1.417 355 I CB -0.574 37.444 38.000 0.029 0.000 1.078 355 I HN 0.102 nan 8.210 nan 0.000 0.421 356 N N 0.590 119.308 118.700 0.029 0.000 2.094 356 N HA -0.201 4.539 4.740 0.000 0.000 0.191 356 N C 1.894 177.468 175.510 0.106 0.000 1.023 356 N CA 1.740 54.809 53.050 0.031 0.000 0.857 356 N CB -0.529 37.967 38.487 0.014 0.000 1.013 356 N HN 0.377 nan 8.380 nan 0.000 0.426 357 L N 0.074 121.359 121.223 0.103 0.000 2.005 357 L HA -0.034 4.306 4.340 0.000 0.000 0.207 357 L C 2.556 179.575 176.870 0.248 0.000 1.072 357 L CA 1.345 56.279 54.840 0.156 0.000 0.744 357 L CB -1.046 41.085 42.059 0.120 0.000 0.895 357 L HN 0.187 nan 8.230 nan 0.000 0.433 358 G N 0.383 109.305 108.800 0.203 0.000 2.513 358 G HA2 -0.268 3.692 3.960 0.000 0.000 0.219 358 G HA3 -0.268 3.692 3.960 0.000 0.000 0.219 358 G C 1.613 176.647 174.900 0.223 0.000 1.160 358 G CA 1.064 46.296 45.100 0.220 0.000 0.767 358 G HN 0.249 nan 8.290 nan 0.000 0.571 359 L N -1.523 119.817 121.223 0.195 0.000 2.131 359 L HA 0.076 4.416 4.340 0.000 0.000 0.206 359 L C 2.526 179.626 176.870 0.383 0.000 1.087 359 L CA 0.767 55.731 54.840 0.207 0.000 0.767 359 L CB -0.451 41.614 42.059 0.010 0.000 0.917 359 L HN 0.265 nan 8.230 nan 0.000 0.441 360 Y N 0.439 120.896 120.300 0.262 0.000 2.128 360 Y HA -0.264 4.286 4.550 0.000 0.000 0.284 360 Y C 2.358 178.338 175.900 0.133 0.000 1.154 360 Y CA 1.834 60.099 58.100 0.274 0.000 1.149 360 Y CB -0.143 38.453 38.460 0.227 0.000 0.976 360 Y HN -0.141 nan 8.280 nan 0.000 0.505 361 V N 0.070 120.185 119.914 0.336 0.000 2.379 361 V HA -0.252 3.868 4.120 0.000 0.000 0.245 361 V C 2.639 178.653 176.094 -0.135 0.000 1.044 361 V CA 1.554 63.908 62.300 0.091 0.000 1.036 361 V CB -1.521 30.459 31.823 0.262 0.000 0.664 361 V HN 0.538 nan 8.190 nan 0.000 0.453 362 A N 0.314 123.149 122.820 0.025 0.000 1.978 362 A HA -0.278 4.042 4.320 0.000 0.000 0.220 362 A C 2.393 179.969 177.584 -0.013 0.000 1.170 362 A CA 2.163 54.224 52.037 0.040 0.000 0.636 362 A CB -0.592 18.529 19.000 0.201 0.000 0.810 362 A HN 0.516 nan 8.150 nan 0.000 0.448 363 R N -0.171 120.323 120.500 -0.010 0.000 2.083 363 R HA -0.112 4.228 4.340 0.000 0.000 0.237 363 R C 1.912 178.095 176.300 -0.194 0.000 1.137 363 R CA 1.897 57.934 56.100 -0.105 0.000 0.951 363 R CB -0.454 29.723 30.300 -0.205 0.000 0.851 363 R HN 0.535 nan 8.270 nan 0.000 0.434 364 I N 0.684 121.068 120.570 -0.311 0.000 2.208 364 I HA -0.329 3.841 4.170 0.000 0.000 0.245 364 I C 2.261 178.154 176.117 -0.374 0.000 1.097 364 I CA 1.415 62.508 61.300 -0.345 0.000 1.363 364 I CB -0.255 37.469 38.000 -0.460 0.000 1.051 364 I HN 0.255 nan 8.210 nan 0.000 0.413 365 I N -0.029 120.156 120.570 -0.642 0.000 2.142 365 I HA -0.354 3.816 4.170 0.000 0.000 0.240 365 I C 2.706 178.511 176.117 -0.521 0.000 1.078 365 I CA 1.859 62.608 61.300 -0.918 0.000 1.343 365 I CB -0.795 36.448 38.000 -1.263 0.000 1.046 365 I HN 0.308 nan 8.210 nan 0.000 0.405 366 H N 1.702 120.536 119.070 -0.394 0.000 2.289 366 H HA -0.217 4.339 4.556 0.000 0.000 0.294 366 H C 2.096 177.354 175.328 -0.117 0.000 1.095 366 H CA 2.302 58.266 56.048 -0.139 0.000 1.256 366 H CB -0.086 29.675 29.762 -0.002 0.000 1.359 366 H HN 0.227 nan 8.280 nan 0.000 0.487 367 N N 0.099 118.755 118.700 -0.073 0.000 2.244 367 N HA -0.129 4.611 4.740 0.000 0.000 0.183 367 N C 1.282 176.718 175.510 -0.123 0.000 1.016 367 N CA 1.215 54.213 53.050 -0.088 0.000 0.866 367 N CB -0.153 38.312 38.487 -0.036 0.000 0.980 367 N HN 0.509 nan 8.380 nan 0.000 0.430 368 D N 1.085 121.430 120.400 -0.092 0.000 2.117 368 D HA -0.057 4.583 4.640 0.000 0.000 0.197 368 D C 2.190 178.476 176.300 -0.022 0.000 0.987 368 D CA 0.579 54.588 54.000 0.015 0.000 0.829 368 D CB -0.164 40.735 40.800 0.166 0.000 0.961 368 D HN 0.227 nan 8.370 nan 0.000 0.460 369 L N 0.346 121.504 121.223 -0.108 0.000 2.109 369 L HA -0.100 4.240 4.340 0.000 0.000 0.207 369 L C 2.522 179.300 176.870 -0.152 0.000 1.086 369 L CA 1.549 56.345 54.840 -0.073 0.000 0.760 369 L CB -0.503 41.558 42.059 0.003 0.000 0.910 369 L HN 0.143 nan 8.230 nan 0.000 0.437 370 T N -3.598 110.775 114.554 -0.302 0.000 3.039 370 T HA 0.124 4.474 4.350 0.000 0.000 0.250 370 T C 1.717 176.209 174.700 -0.346 0.000 1.052 370 T CA 0.157 62.026 62.100 -0.384 0.000 1.125 370 T CB -0.028 68.531 68.868 -0.515 0.000 0.908 370 T HN 0.137 nan 8.240 nan 0.000 0.473 371 L N 0.507 121.576 121.223 -0.256 0.000 2.269 371 L HA 0.469 4.809 4.340 0.000 0.000 0.200 371 L C 3.065 179.812 176.870 -0.206 0.000 1.069 371 L CA 0.838 55.554 54.840 -0.206 0.000 0.804 371 L CB -0.543 41.444 42.059 -0.121 0.000 0.987 371 L HN 0.311 nan 8.230 nan 0.000 0.468 372 A N -0.850 121.879 122.820 -0.152 0.000 2.208 372 A HA -0.025 4.295 4.320 0.000 0.000 0.209 372 A C 0.791 178.337 177.584 -0.064 0.000 1.161 372 A CA 0.089 52.046 52.037 -0.133 0.000 0.782 372 A CB -0.477 18.412 19.000 -0.185 0.000 0.816 372 A HN 0.614 nan 8.150 nan 0.000 0.477 373 N N -0.882 117.736 118.700 -0.137 0.000 2.727 373 N HA -0.182 4.558 4.740 0.000 0.000 0.249 373 N C 0.265 175.847 175.510 0.120 0.000 1.048 373 N CA 0.248 53.254 53.050 -0.073 0.000 0.714 373 N CB -1.129 37.267 38.487 -0.152 0.000 0.959 373 N HN 0.696 nan 8.380 nan 0.000 0.544 374 A N 0.129 123.055 122.820 0.177 0.000 2.546 374 A HA 0.208 4.528 4.320 0.000 0.000 0.243 374 A C 1.263 178.909 177.584 0.104 0.000 1.063 374 A CA 0.434 52.616 52.037 0.242 0.000 0.757 374 A CB 0.378 19.504 19.000 0.210 0.000 0.991 374 A HN 0.346 nan 8.150 nan 0.000 0.503 375 S N 0.676 116.465 115.700 0.147 0.000 2.528 375 S HA 0.415 4.885 4.470 0.000 0.000 0.219 375 S C 0.658 175.117 174.600 -0.235 0.000 0.985 375 S CA 0.719 58.985 58.200 0.109 0.000 0.914 375 S CB -0.124 63.283 63.200 0.346 0.000 0.776 375 S HN 1.301 nan 8.310 nan 0.000 0.526 376 A N 0.233 122.737 122.820 -0.527 0.000 2.594 376 A HA 0.674 4.994 4.320 0.000 0.000 0.295 376 A C -2.236 174.929 177.584 -0.699 0.000 1.071 376 A CA -0.612 50.832 52.037 -0.989 0.000 0.685 376 A CB 0.978 18.766 19.000 -2.020 0.000 1.285 376 A HN 0.374 nan 8.150 nan 0.000 0.405 377 W N 1.186 121.947 121.300 -0.898 0.000 2.839 377 W HA 0.639 5.299 4.660 -0.000 0.000 0.334 377 W C -0.943 175.318 176.519 -0.431 0.000 1.064 377 W CA 0.028 57.026 57.345 -0.579 0.000 1.236 377 W CB 1.845 31.034 29.460 -0.452 0.000 1.405 377 W HN 0.721 nan 8.180 nan 0.000 0.478 378 Q N 4.470 123.619 119.800 -1.085 0.000 2.285 378 Q HA 0.241 4.581 4.340 0.000 0.000 0.269 378 Q C -1.125 174.300 176.000 -0.959 0.000 1.030 378 Q CA -0.878 54.488 55.803 -0.728 0.000 0.788 378 Q CB 2.176 30.589 28.738 -0.543 0.000 1.266 378 Q HN 0.448 nan 8.270 nan 0.000 0.438 379 W N 2.342 123.401 121.300 -0.401 0.000 2.150 379 W HA 0.118 4.778 4.660 -0.000 0.000 0.341 379 W C 1.072 177.469 176.519 -0.204 0.000 1.276 379 W CA -0.357 56.857 57.345 -0.217 0.000 1.238 379 W CB 0.547 30.011 29.460 0.007 0.000 1.128 379 W HN 0.665 nan 8.180 nan 0.000 0.581 380 W N 1.865 123.151 121.300 -0.024 0.000 1.561 380 W HA -0.053 4.607 4.660 -0.000 0.000 0.430 380 W C 0.681 177.125 176.519 -0.125 0.000 1.981 380 W CA 0.565 57.825 57.345 -0.142 0.000 2.169 380 W CB -0.254 29.161 29.460 -0.074 0.000 1.747 380 W HN 0.272 nan 8.180 nan 0.000 0.870 381 T N 0.257 114.152 114.554 -1.098 0.000 2.934 381 T HA 0.235 4.585 4.350 0.000 0.000 0.306 381 T C 0.713 175.125 174.700 -0.480 0.000 1.042 381 T CA 0.185 61.697 62.100 -0.979 0.000 1.145 381 T CB 1.209 69.422 68.868 -1.092 0.000 0.982 381 T HN 0.489 nan 8.240 nan 0.000 0.544 382 A N 3.190 125.792 122.820 -0.364 0.000 2.067 382 A HA 0.345 4.665 4.320 0.000 0.000 0.219 382 A C 1.242 178.640 177.584 -0.310 0.000 1.158 382 A CA 0.941 52.825 52.037 -0.255 0.000 0.661 382 A CB -0.623 18.378 19.000 0.002 0.000 0.801 382 A HN 1.466 nan 8.150 nan 0.000 0.452 383 V N -4.243 115.492 119.914 -0.299 0.000 2.962 383 V HA 0.857 4.977 4.120 0.000 0.000 0.313 383 V C -0.599 175.354 176.094 -0.236 0.000 1.099 383 V CA -0.090 62.062 62.300 -0.248 0.000 0.971 383 V CB 1.570 33.261 31.823 -0.219 0.000 1.028 383 V HN 0.435 nan 8.190 nan 0.000 0.430 384 S N 1.671 117.264 115.700 -0.179 0.000 2.567 384 S HA 0.629 5.099 4.470 0.000 0.000 0.270 384 S C -0.304 174.230 174.600 -0.111 0.000 1.152 384 S CA -0.502 57.611 58.200 -0.144 0.000 0.835 384 S CB 1.751 64.889 63.200 -0.103 0.000 1.115 384 S HN 0.810 nan 8.310 nan 0.000 0.459 385 L N 2.622 123.775 121.223 -0.115 0.000 2.418 385 L HA 0.355 4.695 4.340 0.000 0.000 0.218 385 L C 1.603 178.452 176.870 -0.035 0.000 1.125 385 L CA 1.396 56.191 54.840 -0.075 0.000 0.835 385 L CB -0.842 41.152 42.059 -0.108 0.000 0.953 385 L HN 0.714 nan 8.230 nan 0.000 0.454 386 G N -1.403 107.379 108.800 -0.030 0.000 2.557 386 G HA2 0.280 4.240 3.960 0.000 0.000 0.302 386 G HA3 0.280 4.240 3.960 0.000 0.000 0.302 386 G C -0.465 174.426 174.900 -0.015 0.000 1.311 386 G CA -0.404 44.690 45.100 -0.009 0.000 1.030 386 G HN 0.096 nan 8.290 nan 0.000 0.509 387 E N -0.007 120.191 120.200 -0.002 0.000 2.206 387 E HA 0.242 4.592 4.350 0.000 0.000 0.244 387 E C -0.567 176.043 176.600 0.017 0.000 1.055 387 E CA -0.308 56.092 56.400 -0.001 0.000 0.970 387 E CB 0.052 29.759 29.700 0.012 0.000 1.256 387 E HN 0.518 nan 8.360 nan 0.000 0.456 388 D N 0.730 121.135 120.400 0.008 0.000 2.516 388 D HA 0.063 4.703 4.640 0.000 0.000 0.241 388 D C 0.267 176.605 176.300 0.064 0.000 1.246 388 D CA -0.103 53.936 54.000 0.065 0.000 0.808 388 D CB 0.511 41.353 40.800 0.071 0.000 1.147 388 D HN 0.125 nan 8.370 nan 0.000 0.527 389 V N -4.745 115.085 119.914 -0.141 0.000 3.181 389 V HA 0.568 4.688 4.120 0.000 0.000 0.307 389 V C -2.215 173.494 176.094 -0.642 0.000 1.310 389 V CA -2.039 59.930 62.300 -0.552 0.000 1.067 389 V CB 1.503 33.063 31.823 -0.438 0.000 1.081 389 V HN -0.385 nan 8.190 nan 0.000 0.453 390 P HA 0.014 nan 4.420 nan 0.000 0.215 390 P C 0.274 177.340 177.300 -0.391 0.000 1.157 390 P CA 1.575 64.289 63.100 -0.644 0.000 0.874 390 P CB 0.035 31.300 31.700 -0.726 0.000 0.790 391 I N -1.170 119.198 120.570 -0.336 0.000 2.404 391 I HA 0.270 4.440 4.170 0.000 0.000 0.293 391 I C 0.197 176.224 176.117 -0.150 0.000 0.992 391 I CA -0.866 60.310 61.300 -0.207 0.000 1.149 391 I CB 1.849 39.739 38.000 -0.183 0.000 1.315 391 I HN -0.163 nan 8.210 nan 0.000 0.446 392 Q N 5.354 125.106 119.800 -0.080 0.000 2.271 392 Q HA 0.505 4.845 4.340 0.000 0.000 0.258 392 Q C -1.649 174.358 176.000 0.013 0.000 0.936 392 Q CA -0.839 54.940 55.803 -0.040 0.000 0.909 392 Q CB 1.585 30.312 28.738 -0.018 0.000 1.253 392 Q HN 0.435 nan 8.270 nan 0.000 0.440 393 L N 4.874 126.115 121.223 0.030 0.000 2.272 393 L HA 0.465 4.805 4.340 0.000 0.000 0.289 393 L C -0.877 176.061 176.870 0.113 0.000 1.032 393 L CA -0.091 54.825 54.840 0.126 0.000 0.810 393 L CB 1.349 43.498 42.059 0.150 0.000 1.205 393 L HN 0.655 nan 8.230 nan 0.000 0.422 394 L N 5.745 127.043 121.223 0.125 0.000 2.329 394 L HA 0.549 4.889 4.340 0.000 0.000 0.279 394 L C -2.160 174.757 176.870 0.080 0.000 1.014 394 L CA -1.909 52.980 54.840 0.082 0.000 0.814 394 L CB 1.904 43.999 42.059 0.060 0.000 1.257 394 L HN 0.371 nan 8.230 nan 0.000 0.424 395 P HA 0.081 nan 4.420 nan 0.000 0.269 395 P C -0.439 176.869 177.300 0.013 0.000 1.209 395 P CA -0.211 62.915 63.100 0.045 0.000 0.776 395 P CB 0.437 32.166 31.700 0.050 0.000 0.876 396 L N 1.415 122.626 121.223 -0.020 0.000 2.483 396 L HA 0.045 4.385 4.340 0.000 0.000 0.275 396 L C 1.365 178.230 176.870 -0.008 0.000 1.220 396 L CA -0.168 54.655 54.840 -0.027 0.000 0.833 396 L CB -0.289 41.736 42.059 -0.056 0.000 1.102 396 L HN 0.517 nan 8.230 nan 0.000 0.490 397 E N 0.933 121.130 120.200 -0.006 0.000 2.452 397 E HA 0.214 4.564 4.350 0.000 0.000 0.261 397 E C 0.938 177.539 176.600 0.001 0.000 0.987 397 E CA 0.196 56.597 56.400 0.002 0.000 0.926 397 E CB 0.502 30.204 29.700 0.002 0.000 0.934 397 E HN 0.797 nan 8.360 nan 0.000 0.452 398 G N 2.829 111.632 108.800 0.006 0.000 2.205 398 G HA2 -0.300 3.660 3.960 0.000 0.000 0.261 398 G HA3 -0.300 3.660 3.960 0.000 0.000 0.261 398 G C 0.112 175.019 174.900 0.011 0.000 0.980 398 G CA 0.272 45.376 45.100 0.007 0.000 0.632 398 G HN 0.637 nan 8.290 nan 0.000 0.533 399 S N 1.026 116.734 115.700 0.013 0.000 2.654 399 S HA 0.617 5.087 4.470 0.000 0.000 0.283 399 S C 0.411 175.032 174.600 0.035 0.000 1.180 399 S CA -0.169 58.044 58.200 0.022 0.000 1.021 399 S CB 1.517 64.727 63.200 0.017 0.000 1.018 399 S HN 0.842 nan 8.310 nan 0.000 0.532 400 N N 0.386 119.114 118.700 0.046 0.000 2.405 400 N HA 0.348 5.088 4.740 0.000 0.000 0.269 400 N C 1.309 176.869 175.510 0.084 0.000 1.249 400 N CA -0.309 52.776 53.050 0.059 0.000 0.974 400 N CB -0.517 38.005 38.487 0.057 0.000 1.204 400 N HN 0.512 nan 8.380 nan 0.000 0.565 401 G N -0.455 108.406 108.800 0.101 0.000 2.418 401 G HA2 -0.163 3.797 3.960 0.000 0.000 0.217 401 G HA3 -0.163 3.797 3.960 0.000 0.000 0.217 401 G C 1.341 176.388 174.900 0.246 0.000 1.158 401 G CA 0.440 45.631 45.100 0.151 0.000 0.771 401 G HN 0.464 nan 8.290 nan 0.000 0.545 402 L N 1.702 123.035 121.223 0.183 0.000 2.191 402 L HA -0.115 4.225 4.340 0.000 0.000 0.212 402 L C 3.219 180.091 176.870 0.004 0.000 1.103 402 L CA 1.303 56.195 54.840 0.086 0.000 0.769 402 L CB -0.232 41.831 42.059 0.008 0.000 0.908 402 L HN 0.437 nan 8.230 nan 0.000 0.438 403 S N -0.279 115.471 115.700 0.083 0.000 2.442 403 S HA -0.159 4.311 4.470 0.000 0.000 0.236 403 S C 1.833 176.472 174.600 0.064 0.000 1.007 403 S CA 0.738 59.000 58.200 0.104 0.000 0.965 403 S CB -0.598 62.656 63.200 0.089 0.000 0.773 403 S HN 0.430 nan 8.310 nan 0.000 0.504 404 L N 0.917 122.240 121.223 0.167 0.000 2.450 404 L HA -0.082 4.258 4.340 0.000 0.000 0.224 404 L C 2.788 179.945 176.870 0.479 0.000 1.149 404 L CA 0.974 56.038 54.840 0.373 0.000 0.816 404 L CB -0.579 41.766 42.059 0.477 0.000 0.932 404 L HN 0.447 nan 8.230 nan 0.000 0.449 405 Q N -1.274 118.430 119.800 -0.161 0.000 2.364 405 Q HA -0.165 4.175 4.340 0.000 0.000 0.207 405 Q C 1.203 176.991 176.000 -0.354 0.000 0.970 405 Q CA 1.288 56.677 55.803 -0.690 0.000 0.888 405 Q CB 0.126 27.887 28.738 -1.628 0.000 0.951 405 Q HN 0.573 nan 8.270 nan 0.000 0.469 406 Y N -1.346 119.056 120.300 0.169 0.000 2.589 406 Y HA 0.290 4.840 4.550 -0.000 0.000 0.271 406 Y C 0.334 175.964 175.900 -0.450 0.000 1.107 406 Y CA -0.374 57.733 58.100 0.011 0.000 1.273 406 Y CB 0.956 39.388 38.460 -0.046 0.000 1.266 406 Y HN -0.101 nan 8.280 nan 0.000 0.504 407 D N -1.868 118.098 120.400 -0.723 0.000 2.742 407 D HA 0.512 5.152 4.640 0.000 0.000 0.262 407 D C -0.699 174.816 176.300 -1.310 0.000 1.240 407 D CA 0.208 53.329 54.000 -1.466 0.000 0.752 407 D CB 1.751 42.169 40.800 -0.636 0.000 1.290 407 D HN 0.219 nan 8.370 nan 0.000 0.420 408 G N 0.444 108.353 108.800 -1.485 0.000 2.506 408 G HA2 0.479 4.439 3.960 0.000 0.000 0.292 408 G HA3 0.479 4.439 3.960 0.000 0.000 0.292 408 G C -1.533 173.276 174.900 -0.151 0.000 1.425 408 G CA -0.675 44.130 45.100 -0.493 0.000 0.788 408 G HN 0.250 nan 8.290 nan 0.000 0.490 409 E N -0.007 120.222 120.200 0.048 0.000 2.216 409 E HA 0.437 4.787 4.350 0.000 0.000 0.279 409 E C -0.362 176.346 176.600 0.179 0.000 0.997 409 E CA -0.472 55.986 56.400 0.097 0.000 0.817 409 E CB 2.409 32.142 29.700 0.055 0.000 1.096 409 E HN 0.361 nan 8.360 nan 0.000 0.393 410 I N 1.720 122.396 120.570 0.177 0.000 2.325 410 I HA 0.092 4.262 4.170 0.000 0.000 0.291 410 I C 0.440 176.615 176.117 0.097 0.000 1.019 410 I CA -0.115 61.276 61.300 0.151 0.000 1.302 410 I CB 1.074 39.167 38.000 0.155 0.000 1.401 410 I HN 0.188 nan 8.210 nan 0.000 0.485 411 S N 4.642 120.384 115.700 0.070 0.000 2.561 411 S HA 0.513 4.983 4.470 0.000 0.000 0.303 411 S C -0.197 174.425 174.600 0.036 0.000 1.110 411 S CA -0.680 57.558 58.200 0.063 0.000 1.034 411 S CB 1.046 64.280 63.200 0.055 0.000 1.010 411 S HN 0.689 nan 8.310 nan 0.000 0.482 412 T N 2.086 116.684 114.554 0.074 0.000 2.889 412 T HA 0.574 4.925 4.350 0.000 0.000 0.291 412 T C 0.648 175.390 174.700 0.070 0.000 0.995 412 T CA -0.389 61.730 62.100 0.033 0.000 1.092 412 T CB 0.829 69.778 68.868 0.136 0.000 0.954 412 T HN 0.753 nan 8.240 nan 0.000 0.506 413 T N 0.522 115.060 114.554 -0.026 0.000 2.897 413 T HA 0.443 4.793 4.350 0.000 0.000 0.278 413 T C 1.085 175.855 174.700 0.115 0.000 0.981 413 T CA -1.064 61.056 62.100 0.033 0.000 0.973 413 T CB 0.989 69.840 68.868 -0.028 0.000 1.092 413 T HN 0.456 nan 8.240 nan 0.000 0.543 414 K N 0.102 120.600 120.400 0.164 0.000 2.288 414 K HA 0.124 4.444 4.320 0.000 0.000 0.201 414 K C 2.178 178.900 176.600 0.204 0.000 1.048 414 K CA 0.851 57.285 56.287 0.245 0.000 0.956 414 K CB -0.475 32.139 32.500 0.191 0.000 0.746 414 K HN 0.665 nan 8.250 nan 0.000 0.461 415 M N 0.540 120.231 119.600 0.151 0.000 2.213 415 M HA -0.151 4.329 4.480 0.000 0.000 0.263 415 M C 2.235 178.606 176.300 0.119 0.000 1.062 415 M CA 1.233 56.667 55.300 0.223 0.000 1.105 415 M CB -0.356 32.404 32.600 0.268 0.000 1.385 415 M HN 0.072 nan 8.290 nan 0.000 0.417 416 L N -0.736 120.397 121.223 -0.149 0.000 2.017 416 L HA -0.187 4.153 4.340 0.000 0.000 0.208 416 L C 1.949 178.617 176.870 -0.337 0.000 1.073 416 L CA 1.828 56.437 54.840 -0.385 0.000 0.745 416 L CB -0.205 41.414 42.059 -0.734 0.000 0.894 416 L HN 0.319 nan 8.230 nan 0.000 0.432 417 W N -0.410 120.921 121.300 0.052 0.000 2.453 417 W HA -0.119 4.541 4.660 -0.000 0.000 0.289 417 W C 2.828 179.387 176.519 0.066 0.000 1.215 417 W CA 1.216 58.585 57.345 0.039 0.000 1.297 417 W CB -0.761 28.714 29.460 0.025 0.000 1.113 417 W HN 0.257 nan 8.180 nan 0.000 0.551 418 T N -3.330 111.390 114.554 0.278 0.000 2.867 418 T HA -0.144 4.206 4.350 0.000 0.000 0.268 418 T C 1.544 176.375 174.700 0.218 0.000 1.057 418 T CA 1.796 64.028 62.100 0.221 0.000 1.136 418 T CB -0.883 68.111 68.868 0.210 0.000 0.874 418 T HN -0.042 nan 8.240 nan 0.000 0.466 419 T N 2.106 116.790 114.554 0.216 0.000 2.777 419 T HA 0.145 4.495 4.350 0.000 0.000 0.266 419 T C 2.454 177.212 174.700 0.097 0.000 1.040 419 T CA 1.180 63.396 62.100 0.193 0.000 1.141 419 T CB -0.780 68.302 68.868 0.355 0.000 0.868 419 T HN 0.608 nan 8.240 nan 0.000 0.444 420 A N 2.175 125.045 122.820 0.083 0.000 2.019 420 A HA -0.142 4.178 4.320 0.000 0.000 0.219 420 A C 2.234 179.886 177.584 0.112 0.000 1.164 420 A CA 1.191 53.261 52.037 0.056 0.000 0.644 420 A CB -0.635 18.399 19.000 0.057 0.000 0.805 420 A HN 0.430 nan 8.150 nan 0.000 0.449 421 N N -1.067 117.711 118.700 0.130 0.000 2.091 421 N HA -0.227 4.513 4.740 0.000 0.000 0.193 421 N C 1.562 177.037 175.510 -0.059 0.000 1.021 421 N CA 2.132 55.221 53.050 0.065 0.000 0.862 421 N CB -0.367 38.052 38.487 -0.113 0.000 1.018 421 N HN 0.700 nan 8.380 nan 0.000 0.429 422 Y N 0.973 121.210 120.300 -0.105 0.000 2.163 422 Y HA -0.078 4.472 4.550 -0.000 0.000 0.288 422 Y C 2.952 178.488 175.900 -0.606 0.000 1.112 422 Y CA 1.306 59.173 58.100 -0.387 0.000 1.104 422 Y CB -0.752 37.327 38.460 -0.634 0.000 1.016 422 Y HN 0.086 nan 8.280 nan 0.000 0.497 423 S N -0.277 115.062 115.700 -0.601 0.000 2.383 423 S HA -0.242 4.228 4.470 0.000 0.000 0.227 423 S C 1.937 176.378 174.600 -0.266 0.000 1.026 423 S CA 1.070 58.871 58.200 -0.665 0.000 0.981 423 S CB -1.251 61.733 63.200 -0.362 0.000 0.818 423 S HN 0.409 nan 8.310 nan 0.000 0.472 424 F N 1.223 120.950 119.950 -0.371 0.000 2.269 424 F HA 0.112 4.639 4.527 0.000 0.000 0.301 424 F C 1.307 176.710 175.800 -0.662 0.000 1.082 424 F CA 1.145 58.796 58.000 -0.582 0.000 1.360 424 F CB -0.034 38.474 39.000 -0.820 0.000 1.041 424 F HN 0.190 nan 8.300 nan 0.000 0.512 425 F N -1.518 118.406 119.950 -0.045 0.000 2.680 425 F HA 0.232 4.759 4.527 -0.000 0.000 0.290 425 F C 0.486 176.249 175.800 -0.061 0.000 1.114 425 F CA -0.093 57.880 58.000 -0.046 0.000 1.333 425 F CB -0.241 38.769 39.000 0.016 0.000 1.091 425 F HN -0.479 nan 8.300 nan 0.000 0.606 426 V N 3.853 123.799 119.914 0.054 0.000 2.322 426 V HA 0.305 4.425 4.120 0.000 0.000 0.258 426 V C 0.150 176.308 176.094 0.107 0.000 1.074 426 V CA -0.680 61.643 62.300 0.038 0.000 0.909 426 V CB -0.187 31.558 31.823 -0.130 0.000 1.090 426 V HN 0.048 nan 8.190 nan 0.000 0.486 427 R N 4.468 125.019 120.500 0.085 0.000 2.596 427 R HA 0.474 4.814 4.340 0.000 0.000 0.267 427 R C -2.616 173.735 176.300 0.084 0.000 1.026 427 R CA -2.328 53.809 56.100 0.061 0.000 1.087 427 R CB 0.871 31.178 30.300 0.012 0.000 1.132 427 R HN 0.287 nan 8.270 nan 0.000 0.531 428 P HA -0.024 nan 4.420 nan 0.000 0.264 428 P C 0.715 178.057 177.300 0.069 0.000 1.183 428 P CA 1.037 64.174 63.100 0.061 0.000 0.763 428 P CB 0.388 32.113 31.700 0.042 0.000 0.807 429 G N 1.785 110.637 108.800 0.087 0.000 2.299 429 G HA2 -0.276 3.684 3.960 0.000 0.000 0.237 429 G HA3 -0.276 3.684 3.960 0.000 0.000 0.237 429 G C 0.359 175.321 174.900 0.104 0.000 1.027 429 G CA -0.164 44.987 45.100 0.086 0.000 0.619 429 G HN 0.466 nan 8.290 nan 0.000 0.513 430 M N 0.648 120.321 119.600 0.122 0.000 2.250 430 M HA 0.347 4.827 4.480 0.000 0.000 0.325 430 M C 0.532 176.946 176.300 0.189 0.000 1.084 430 M CA 0.872 56.268 55.300 0.161 0.000 1.161 430 M CB 0.513 33.231 32.600 0.197 0.000 1.481 430 M HN 0.170 nan 8.290 nan 0.000 0.449 431 K N 1.230 121.749 120.400 0.198 0.000 2.270 431 K HA 0.397 4.717 4.320 0.000 0.000 0.255 431 K C -0.659 176.084 176.600 0.238 0.000 0.936 431 K CA -0.783 55.622 56.287 0.196 0.000 0.809 431 K CB 2.035 34.608 32.500 0.122 0.000 1.131 431 K HN 0.500 nan 8.250 nan 0.000 0.427 432 R N 3.615 124.273 120.500 0.262 0.000 2.537 432 R HA 0.234 4.574 4.340 0.000 0.000 0.280 432 R C -0.271 176.088 176.300 0.099 0.000 1.058 432 R CA -0.015 56.127 56.100 0.071 0.000 1.057 432 R CB 0.201 30.552 30.300 0.084 0.000 0.973 432 R HN 0.649 nan 8.270 nan 0.000 0.438 433 I N 0.200 120.761 120.570 -0.016 0.000 3.002 433 I HA 0.613 4.783 4.170 0.000 0.000 0.310 433 I C -0.554 175.629 176.117 0.110 0.000 1.087 433 I CA -1.443 59.879 61.300 0.036 0.000 1.017 433 I CB 2.106 40.095 38.000 -0.017 0.000 1.226 433 I HN 0.620 nan 8.210 nan 0.000 0.443 434 A N 4.358 127.261 122.820 0.138 0.000 2.477 434 A HA 0.561 4.881 4.320 0.000 0.000 0.246 434 A C -0.408 177.228 177.584 0.086 0.000 1.078 434 A CA -0.106 52.051 52.037 0.200 0.000 0.770 434 A CB 0.158 19.256 19.000 0.163 0.000 1.011 434 A HN 0.799 nan 8.150 nan 0.000 0.494 435 I N 1.111 121.733 120.570 0.086 0.000 2.500 435 I HA 0.685 4.855 4.170 0.000 0.000 0.286 435 I C -0.248 175.972 176.117 0.172 0.000 1.063 435 I CA -0.347 61.013 61.300 0.100 0.000 1.062 435 I CB 1.465 39.490 38.000 0.042 0.000 1.223 435 I HN 0.708 nan 8.210 nan 0.000 0.435 436 K N 8.343 128.864 120.400 0.201 0.000 2.378 436 K HA 0.798 5.118 4.320 0.000 0.000 0.252 436 K C -3.166 173.534 176.600 0.167 0.000 0.931 436 K CA -1.630 54.773 56.287 0.193 0.000 0.794 436 K CB 1.327 33.889 32.500 0.104 0.000 1.181 436 K HN 0.496 nan 8.250 nan 0.000 0.425 437 P HA 0.168 nan 4.420 nan 0.000 0.274 437 P C 0.706 177.877 177.300 -0.215 0.000 1.256 437 P CA 0.212 63.077 63.100 -0.391 0.000 0.795 437 P CB 0.942 32.336 31.700 -0.509 0.000 1.038 438 T N -4.170 110.228 114.554 -0.261 0.000 2.896 438 T HA -0.001 4.349 4.350 0.000 0.000 0.263 438 T C 1.199 175.834 174.700 -0.109 0.000 1.050 438 T CA 0.887 62.902 62.100 -0.141 0.000 1.140 438 T CB -1.343 67.449 68.868 -0.126 0.000 0.877 438 T HN 0.482 nan 8.240 nan 0.000 0.457 439 Y N 1.062 121.281 120.300 -0.135 0.000 2.323 439 Y HA 0.751 5.301 4.550 0.000 0.000 0.331 439 Y C 0.607 176.464 175.900 -0.072 0.000 1.092 439 Y CA -2.041 56.006 58.100 -0.088 0.000 1.150 439 Y CB -0.182 38.228 38.460 -0.084 0.000 1.200 439 Y HN 0.617 nan 8.280 nan 0.000 0.472 440 K N 1.284 121.662 120.400 -0.038 0.000 2.412 440 K HA 0.727 5.047 4.320 0.000 0.000 0.281 440 K C -0.378 176.217 176.600 -0.008 0.000 1.027 440 K CA 0.519 56.796 56.287 -0.016 0.000 0.989 440 K CB -0.297 32.199 32.500 -0.007 0.000 0.935 440 K HN 2.385 nan 8.250 nan 0.000 0.475 441 I N 0.244 120.820 120.570 0.010 0.000 2.545 441 I HA 0.810 4.980 4.170 0.000 0.000 0.292 441 I C 0.697 176.826 176.117 0.020 0.000 1.040 441 I CA -0.695 60.616 61.300 0.018 0.000 1.068 441 I CB 0.854 38.877 38.000 0.038 0.000 1.251 441 I HN 1.208 nan 8.210 nan 0.000 0.424 442 S N 2.162 117.867 115.700 0.009 0.000 2.562 442 S HA 0.339 4.809 4.470 0.000 0.000 0.281 442 S C 0.981 175.582 174.600 0.002 0.000 1.333 442 S CA 0.137 58.338 58.200 0.002 0.000 1.052 442 S CB -0.031 63.165 63.200 -0.007 0.000 0.884 442 S HN 0.837 nan 8.310 nan 0.000 0.506 443 D N 1.141 121.540 120.400 -0.001 0.000 2.157 443 D HA -0.179 4.461 4.640 0.000 0.000 0.191 443 D C 1.785 178.069 176.300 -0.027 0.000 1.004 443 D CA 1.509 55.506 54.000 -0.005 0.000 0.854 443 D CB -0.137 40.653 40.800 -0.016 0.000 0.936 443 D HN 0.574 nan 8.370 nan 0.000 0.446 444 L N 1.045 122.248 121.223 -0.034 0.000 2.056 444 L HA -0.145 4.195 4.340 0.000 0.000 0.207 444 L C 2.466 179.308 176.870 -0.048 0.000 1.078 444 L CA 2.573 57.383 54.840 -0.050 0.000 0.749 444 L CB -0.925 41.106 42.059 -0.046 0.000 0.901 444 L HN 0.106 nan 8.230 nan 0.000 0.433 445 E N -0.109 120.075 120.200 -0.028 0.000 2.051 445 E HA -0.149 4.201 4.350 0.000 0.000 0.192 445 E C 2.262 178.849 176.600 -0.022 0.000 0.991 445 E CA 1.607 57.996 56.400 -0.017 0.000 0.799 445 E CB -1.415 28.283 29.700 -0.003 0.000 0.748 445 E HN 0.727 nan 8.360 nan 0.000 0.449 446 A N 0.983 123.791 122.820 -0.020 0.000 1.948 446 A HA 0.139 4.459 4.320 0.000 0.000 0.220 446 A C 2.803 180.325 177.584 -0.103 0.000 1.177 446 A CA 2.655 54.672 52.037 -0.034 0.000 0.636 446 A CB -0.784 18.208 19.000 -0.014 0.000 0.815 446 A HN 1.126 nan 8.150 nan 0.000 0.449 447 A N -0.740 122.001 122.820 -0.132 0.000 2.070 447 A HA -0.014 4.306 4.320 0.000 0.000 0.220 447 A C 2.088 179.452 177.584 -0.367 0.000 1.159 447 A CA 2.158 54.050 52.037 -0.242 0.000 0.656 447 A CB -0.823 18.054 19.000 -0.204 0.000 0.800 447 A HN 0.860 nan 8.150 nan 0.000 0.453 448 T N -3.990 110.456 114.554 -0.180 0.000 3.044 448 T HA 0.308 4.658 4.350 0.000 0.000 0.260 448 T C 1.086 175.849 174.700 0.105 0.000 1.019 448 T CA 0.796 62.859 62.100 -0.061 0.000 0.921 448 T CB 0.067 68.945 68.868 0.018 0.000 1.053 448 T HN 0.574 nan 8.240 nan 0.000 0.533 449 S N 0.827 116.557 115.700 0.050 0.000 3.799 449 S HA 0.606 5.076 4.470 0.000 0.000 0.170 449 S C -0.553 174.097 174.600 0.083 0.000 0.840 449 S CA -0.445 57.808 58.200 0.088 0.000 1.025 449 S CB 0.193 63.426 63.200 0.055 0.000 1.455 449 S HN 0.302 nan 8.310 nan 0.000 0.804 450 L N 1.552 122.796 121.223 0.035 0.000 2.439 450 L HA 0.736 5.076 4.340 0.000 0.000 0.270 450 L C -1.660 175.167 176.870 -0.072 0.000 0.972 450 L CA -0.504 54.345 54.840 0.014 0.000 0.836 450 L CB 1.727 43.835 42.059 0.081 0.000 1.255 450 L HN 0.632 nan 8.230 nan 0.000 0.404 451 M N 6.483 125.960 119.600 -0.205 0.000 2.383 451 M HA 0.629 5.109 4.480 0.000 0.000 0.325 451 M C -1.082 175.030 176.300 -0.313 0.000 1.092 451 M CA -0.461 54.552 55.300 -0.479 0.000 0.961 451 M CB 2.372 34.294 32.600 -1.130 0.000 1.672 451 M HN 0.638 nan 8.290 nan 0.000 0.438 452 I N 1.817 122.324 120.570 -0.105 0.000 2.775 452 I HA 0.750 4.920 4.170 0.000 0.000 0.295 452 I C -1.329 174.863 176.117 0.124 0.000 1.287 452 I CA 0.015 61.284 61.300 -0.053 0.000 1.029 452 I CB 1.966 39.710 38.000 -0.427 0.000 1.282 452 I HN 0.880 nan 8.210 nan 0.000 0.426 453 S N 3.606 119.374 115.700 0.113 0.000 2.596 453 S HA 0.823 5.293 4.470 0.000 0.000 0.270 453 S C -1.188 173.363 174.600 -0.081 0.000 1.155 453 S CA -0.723 57.481 58.200 0.007 0.000 0.827 453 S CB 1.870 65.103 63.200 0.055 0.000 1.130 453 S HN 0.631 nan 8.310 nan 0.000 0.467 454 S N 0.252 115.701 115.700 -0.418 0.000 2.569 454 S HA 0.824 5.294 4.470 0.000 0.000 0.280 454 S C -1.917 172.239 174.600 -0.740 0.000 1.111 454 S CA -0.639 57.365 58.200 -0.327 0.000 0.887 454 S CB 0.946 64.079 63.200 -0.112 0.000 1.095 454 S HN 0.689 nan 8.310 nan 0.000 0.476 455 Y N -0.065 120.297 120.300 0.104 0.000 2.534 455 Y HA 0.750 5.300 4.550 0.000 0.000 0.345 455 Y C 0.193 176.151 175.900 0.097 0.000 1.031 455 Y CA -0.766 57.405 58.100 0.118 0.000 1.022 455 Y CB 2.416 40.967 38.460 0.150 0.000 1.292 455 Y HN 0.629 nan 8.280 nan 0.000 0.459 456 T N 0.239 114.927 114.554 0.224 0.000 2.889 456 T HA 0.275 4.625 4.350 0.000 0.000 0.315 456 T C -0.981 173.800 174.700 0.135 0.000 1.291 456 T CA -0.665 61.528 62.100 0.155 0.000 1.028 456 T CB 1.071 69.996 68.868 0.096 0.000 1.235 456 T HN 0.792 nan 8.240 nan 0.000 0.491 457 D N 0.916 121.383 120.400 0.112 0.000 2.395 457 D HA 0.288 4.928 4.640 0.000 0.000 0.213 457 D C 1.404 177.745 176.300 0.068 0.000 1.110 457 D CA 0.630 54.683 54.000 0.088 0.000 0.835 457 D CB -0.066 40.784 40.800 0.083 0.000 0.965 457 D HN 1.148 nan 8.370 nan 0.000 0.505 458 G N -0.453 108.386 108.800 0.065 0.000 2.175 458 G HA2 -0.298 3.662 3.960 0.000 0.000 0.244 458 G HA3 -0.298 3.662 3.960 0.000 0.000 0.244 458 G C 1.055 175.985 174.900 0.050 0.000 0.982 458 G CA 0.776 45.906 45.100 0.050 0.000 0.641 458 G HN 0.837 nan 8.290 nan 0.000 0.527 459 K N -0.697 119.739 120.400 0.059 0.000 2.485 459 K HA 0.669 4.989 4.320 0.000 0.000 0.200 459 K C 0.699 177.341 176.600 0.069 0.000 1.352 459 K CA 1.369 57.691 56.287 0.059 0.000 0.953 459 K CB 0.414 32.948 32.500 0.058 0.000 1.387 459 K HN 0.525 nan 8.250 nan 0.000 0.512 460 E N 0.001 120.251 120.200 0.083 0.000 2.256 460 E HA 0.584 4.934 4.350 0.000 0.000 0.267 460 E C -1.640 175.021 176.600 0.102 0.000 0.892 460 E CA -0.956 55.503 56.400 0.098 0.000 0.775 460 E CB 2.482 32.255 29.700 0.122 0.000 1.207 460 E HN 0.070 nan 8.360 nan 0.000 0.420 461 V N 3.406 123.378 119.914 0.096 0.000 2.448 461 V HA 0.370 4.490 4.120 0.000 0.000 0.295 461 V C -0.538 175.621 176.094 0.107 0.000 1.025 461 V CA -0.752 61.606 62.300 0.097 0.000 0.859 461 V CB 1.621 33.482 31.823 0.064 0.000 0.988 461 V HN 0.413 nan 8.190 nan 0.000 0.431 462 V N 3.730 123.736 119.914 0.153 0.000 2.495 462 V HA 0.652 4.772 4.120 0.000 0.000 0.298 462 V C 0.028 176.232 176.094 0.184 0.000 1.031 462 V CA -0.264 62.128 62.300 0.153 0.000 0.871 462 V CB 2.184 34.133 31.823 0.210 0.000 0.988 462 V HN 0.937 nan 8.190 nan 0.000 0.432 463 T N 3.762 118.364 114.554 0.081 0.000 2.879 463 T HA 0.592 4.942 4.350 0.000 0.000 0.290 463 T C -0.707 173.988 174.700 -0.009 0.000 0.993 463 T CA -0.425 61.707 62.100 0.054 0.000 0.975 463 T CB 1.741 70.603 68.868 -0.010 0.000 0.981 463 T HN 0.353 nan 8.240 nan 0.000 0.439 464 V N 2.410 122.334 119.914 0.016 0.000 2.409 464 V HA 0.832 4.952 4.120 0.000 0.000 0.291 464 V C -0.072 175.973 176.094 -0.082 0.000 1.020 464 V CA -0.896 61.330 62.300 -0.123 0.000 0.848 464 V CB 1.389 32.979 31.823 -0.389 0.000 0.990 464 V HN 1.079 nan 8.190 nan 0.000 0.430 465 A N 6.224 128.976 122.820 -0.113 0.000 2.318 465 A HA 0.892 5.212 4.320 0.000 0.000 0.317 465 A C -0.733 176.811 177.584 -0.066 0.000 1.159 465 A CA -0.502 51.473 52.037 -0.104 0.000 0.799 465 A CB 0.719 19.642 19.000 -0.128 0.000 1.194 465 A HN 0.797 nan 8.150 nan 0.000 0.479 466 I N 2.686 123.225 120.570 -0.052 0.000 2.330 466 I HA 0.223 4.393 4.170 0.000 0.000 0.289 466 I C -0.087 176.041 176.117 0.019 0.000 1.001 466 I CA -0.626 60.678 61.300 0.006 0.000 1.193 466 I CB 1.498 39.525 38.000 0.044 0.000 1.345 466 I HN 0.598 nan 8.210 nan 0.000 0.461 467 N N 5.351 124.072 118.700 0.035 0.000 2.558 467 N HA 0.073 4.813 4.740 0.000 0.000 0.233 467 N C 0.144 175.703 175.510 0.081 0.000 1.038 467 N CA 0.009 53.090 53.050 0.051 0.000 0.934 467 N CB 0.297 38.798 38.487 0.024 0.000 1.175 467 N HN 0.483 nan 8.380 nan 0.000 0.512 468 Y N 1.860 122.156 120.300 -0.007 0.000 2.544 468 Y HA 0.072 4.622 4.550 -0.000 0.000 0.286 468 Y C 1.245 177.159 175.900 0.024 0.000 1.141 468 Y CA 0.223 58.330 58.100 0.011 0.000 1.299 468 Y CB 0.203 38.662 38.460 -0.001 0.000 1.030 468 Y HN 0.467 nan 8.280 nan 0.000 0.543 469 S N -0.300 115.475 115.700 0.125 0.000 2.624 469 S HA 0.101 4.571 4.470 0.000 0.000 0.263 469 S C 0.794 175.406 174.600 0.020 0.000 1.287 469 S CA -0.680 57.568 58.200 0.080 0.000 0.990 469 S CB 1.178 64.423 63.200 0.075 0.000 0.950 469 S HN 0.323 nan 8.310 nan 0.000 0.561 470 K N 0.646 121.058 120.400 0.021 0.000 2.487 470 K HA 0.167 4.487 4.320 0.000 0.000 0.192 470 K C 0.663 177.268 176.600 0.009 0.000 1.027 470 K CA 0.767 57.058 56.287 0.006 0.000 1.054 470 K CB -0.341 32.166 32.500 0.012 0.000 0.824 470 K HN 0.832 nan 8.250 nan 0.000 0.510 471 E N 1.294 121.504 120.200 0.016 0.000 2.222 471 E HA 0.259 4.609 4.350 0.000 0.000 0.267 471 E C -0.836 175.774 176.600 0.015 0.000 0.884 471 E CA -1.069 55.340 56.400 0.015 0.000 0.764 471 E CB 0.623 30.335 29.700 0.020 0.000 1.169 471 E HN 0.088 nan 8.360 nan 0.000 0.413 472 N N 0.798 119.503 118.700 0.009 0.000 2.305 472 N HA 0.466 5.206 4.740 0.000 0.000 0.232 472 N C 0.237 175.757 175.510 0.018 0.000 1.274 472 N CA 0.865 53.920 53.050 0.009 0.000 0.870 472 N CB 0.855 39.343 38.487 0.003 0.000 1.105 472 N HN 1.036 nan 8.380 nan 0.000 0.436 473 Q N -0.838 118.974 119.800 0.021 0.000 2.462 473 Q HA 0.693 5.033 4.340 0.000 0.000 0.285 473 Q C -1.340 174.680 176.000 0.033 0.000 1.035 473 Q CA -0.944 54.880 55.803 0.034 0.000 0.799 473 Q CB 1.471 30.240 28.738 0.053 0.000 1.452 473 Q HN 0.416 nan 8.270 nan 0.000 0.404 474 V N 1.774 121.713 119.914 0.042 0.000 2.656 474 V HA 0.863 4.983 4.120 0.000 0.000 0.307 474 V C -0.179 175.957 176.094 0.070 0.000 1.051 474 V CA -0.467 61.857 62.300 0.040 0.000 0.893 474 V CB 1.327 33.164 31.823 0.023 0.000 0.999 474 V HN 1.164 nan 8.190 nan 0.000 0.426 475 I N 0.156 120.777 120.570 0.084 0.000 2.934 475 I HA 1.013 5.183 4.170 0.000 0.000 0.306 475 I C -0.053 176.128 176.117 0.106 0.000 1.110 475 I CA -0.678 60.707 61.300 0.142 0.000 1.019 475 I CB 2.315 40.465 38.000 0.249 0.000 1.227 475 I HN 0.650 nan 8.210 nan 0.000 0.434 476 S N 4.120 119.892 115.700 0.120 0.000 2.437 476 S HA 0.739 5.209 4.470 0.000 0.000 0.305 476 S C -0.852 173.831 174.600 0.138 0.000 1.109 476 S CA -0.542 57.713 58.200 0.091 0.000 1.099 476 S CB 1.103 64.334 63.200 0.052 0.000 1.004 476 S HN 0.553 nan 8.310 nan 0.000 0.475 477 L N 2.965 124.249 121.223 0.101 0.000 2.265 477 L HA 0.430 4.770 4.340 0.000 0.000 0.289 477 L C -0.249 176.665 176.870 0.074 0.000 1.033 477 L CA -0.431 54.470 54.840 0.103 0.000 0.814 477 L CB 0.927 43.020 42.059 0.057 0.000 1.203 477 L HN 0.778 nan 8.230 nan 0.000 0.423 478 N N 3.307 122.057 118.700 0.082 0.000 2.500 478 N HA 0.248 4.988 4.740 0.000 0.000 0.236 478 N C -1.154 174.375 175.510 0.032 0.000 1.022 478 N CA -0.185 52.895 53.050 0.051 0.000 0.935 478 N CB 0.429 38.945 38.487 0.048 0.000 1.147 478 N HN 0.611 nan 8.380 nan 0.000 0.512 479 C N 4.705 124.014 119.300 0.015 0.000 3.003 479 C HA 0.359 4.819 4.460 0.000 0.000 0.241 479 C C 0.337 175.298 174.990 -0.048 0.000 1.224 479 C CA -0.443 58.572 59.018 -0.005 0.000 1.560 479 C CB -2.017 25.730 27.740 0.011 0.000 1.768 479 C HN 0.909 nan 8.230 nan 0.000 0.440 480 D N 1.637 121.975 120.400 -0.104 0.000 3.927 480 D HA -0.267 4.373 4.640 0.000 0.000 0.142 480 D C 0.676 176.844 176.300 -0.219 0.000 0.830 480 D CA 2.386 56.221 54.000 -0.274 0.000 1.091 480 D CB -0.635 39.929 40.800 -0.393 0.000 0.495 480 D HN 0.850 nan 8.370 nan 0.000 0.489 481 H N -0.015 119.067 119.070 0.021 0.000 2.575 481 H HA 0.604 5.160 4.556 0.000 0.000 0.267 481 H C 0.481 175.821 175.328 0.019 0.000 0.966 481 H CA 0.259 56.318 56.048 0.018 0.000 1.165 481 H CB 0.296 30.068 29.762 0.016 0.000 1.433 481 H HN 0.337 nan 8.280 nan 0.000 0.544 482 A N 1.020 123.891 122.820 0.086 0.000 2.477 482 A HA 0.335 4.655 4.320 0.000 0.000 0.246 482 A C 1.412 179.028 177.584 0.053 0.000 1.078 482 A CA 0.548 52.623 52.037 0.065 0.000 0.770 482 A CB 0.088 19.114 19.000 0.043 0.000 1.011 482 A HN 0.600 nan 8.150 nan 0.000 0.494 483 Q N 1.985 121.813 119.800 0.046 0.000 2.390 483 Q HA 0.213 4.553 4.340 0.000 0.000 0.216 483 Q C 0.786 176.800 176.000 0.023 0.000 0.916 483 Q CA 1.500 57.323 55.803 0.034 0.000 0.911 483 Q CB -0.274 28.482 28.738 0.030 0.000 1.035 483 Q HN 0.940 nan 8.270 nan 0.000 0.541 484 K N -2.509 117.905 120.400 0.023 0.000 2.409 484 K HA 0.827 5.147 4.320 0.000 0.000 0.252 484 K C -0.349 176.263 176.600 0.020 0.000 1.036 484 K CA -0.729 55.566 56.287 0.014 0.000 0.871 484 K CB 2.081 34.586 32.500 0.007 0.000 1.374 484 K HN 0.308 nan 8.250 nan 0.000 0.459 485 G N 0.549 109.357 108.800 0.012 0.000 2.698 485 G HA2 0.335 4.295 3.960 0.000 0.000 0.293 485 G HA3 0.335 4.295 3.960 0.000 0.000 0.293 485 G C -1.656 173.251 174.900 0.012 0.000 1.437 485 G CA -1.021 44.093 45.100 0.024 0.000 0.852 485 G HN 0.396 nan 8.290 nan 0.000 0.499 486 K N 0.183 120.614 120.400 0.052 0.000 2.298 486 K HA 0.505 4.825 4.320 0.000 0.000 0.280 486 K C -0.611 175.944 176.600 -0.076 0.000 1.032 486 K CA -0.441 55.871 56.287 0.043 0.000 0.958 486 K CB 2.098 34.706 32.500 0.179 0.000 0.978 486 K HN 0.163 nan 8.250 nan 0.000 0.472 487 V N 4.066 123.818 119.914 -0.270 0.000 2.448 487 V HA 0.336 4.456 4.120 0.000 0.000 0.295 487 V C -1.226 174.631 176.094 -0.394 0.000 1.025 487 V CA -0.857 61.296 62.300 -0.244 0.000 0.859 487 V CB 0.665 32.382 31.823 -0.177 0.000 0.988 487 V HN 0.594 nan 8.190 nan 0.000 0.431 488 Y N 4.960 125.261 120.300 0.002 0.000 2.391 488 Y HA 0.764 5.314 4.550 -0.000 0.000 0.341 488 Y C -0.501 175.401 175.900 0.003 0.000 0.965 488 Y CA -0.892 57.247 58.100 0.065 0.000 1.067 488 Y CB 2.066 40.621 38.460 0.157 0.000 1.199 488 Y HN 0.493 nan 8.280 nan 0.000 0.450 489 L N 2.699 124.002 121.223 0.133 0.000 2.409 489 L HA 0.698 5.038 4.340 0.000 0.000 0.272 489 L C -0.827 176.064 176.870 0.035 0.000 0.980 489 L CA -0.197 54.671 54.840 0.047 0.000 0.826 489 L CB 2.195 44.247 42.059 -0.011 0.000 1.268 489 L HN 0.644 nan 8.230 nan 0.000 0.407 490 T N 3.138 117.719 114.554 0.044 0.000 2.797 490 T HA 0.799 5.149 4.350 0.000 0.000 0.279 490 T C -0.187 174.531 174.700 0.030 0.000 0.991 490 T CA -0.223 61.905 62.100 0.046 0.000 0.979 490 T CB 1.376 70.319 68.868 0.125 0.000 0.943 490 T HN 0.832 nan 8.240 nan 0.000 0.444 491 T N -0.540 114.021 114.554 0.011 0.000 2.647 491 T HA 0.475 4.825 4.350 0.000 0.000 0.295 491 T C 1.173 175.878 174.700 0.009 0.000 1.126 491 T CA -0.832 61.272 62.100 0.006 0.000 1.040 491 T CB 0.507 69.367 68.868 -0.013 0.000 1.472 491 T HN 0.345 nan 8.240 nan 0.000 0.500 492 I N 0.433 121.004 120.570 0.003 0.000 2.502 492 I HA -0.130 4.040 4.170 0.000 0.000 0.258 492 I C 0.894 177.009 176.117 -0.003 0.000 1.172 492 I CA 1.879 63.182 61.300 0.005 0.000 1.430 492 I CB -0.054 37.945 38.000 -0.001 0.000 1.086 492 I HN 0.567 nan 8.210 nan 0.000 0.440 493 D N -0.152 120.236 120.400 -0.019 0.000 2.455 493 D HA 0.153 4.793 4.640 0.000 0.000 0.228 493 D C 0.050 176.314 176.300 -0.059 0.000 1.070 493 D CA 0.488 54.469 54.000 -0.033 0.000 0.881 493 D CB 0.463 41.243 40.800 -0.033 0.000 1.087 493 D HN 0.196 nan 8.370 nan 0.000 0.498 494 K N 1.156 121.513 120.400 -0.072 0.000 2.376 494 K HA 0.382 4.702 4.320 0.000 0.000 0.257 494 K C -0.916 175.565 176.600 -0.199 0.000 0.939 494 K CA -0.697 55.516 56.287 -0.123 0.000 0.809 494 K CB 1.623 34.070 32.500 -0.089 0.000 1.121 494 K HN -0.231 nan 8.250 nan 0.000 0.425 495 N N 3.590 122.045 118.700 -0.408 0.000 2.555 495 N HA 0.053 4.793 4.740 0.000 0.000 0.244 495 N C -0.250 174.808 175.510 -0.753 0.000 1.114 495 N CA -0.331 52.175 53.050 -0.907 0.000 0.963 495 N CB 0.329 37.819 38.487 -1.662 0.000 1.276 495 N HN 0.532 nan 8.380 nan 0.000 0.510 496 L N 0.361 121.426 121.223 -0.263 0.000 3.965 496 L HA -0.322 4.018 4.340 0.000 0.000 0.476 496 L C 0.467 177.337 176.870 0.000 0.000 1.201 496 L CA 0.768 55.596 54.840 -0.019 0.000 0.710 496 L CB -1.270 40.878 42.059 0.148 0.000 1.509 496 L HN 0.612 nan 8.230 nan 0.000 0.815 497 R N 1.938 122.424 120.500 -0.023 0.000 2.442 497 R HA 0.265 4.605 4.340 0.000 0.000 0.291 497 R C -0.231 176.145 176.300 0.126 0.000 1.069 497 R CA 0.144 56.251 56.100 0.012 0.000 1.022 497 R CB 0.056 30.322 30.300 -0.057 0.000 0.976 497 R HN 0.427 nan 8.270 nan 0.000 0.443 498 Y N 3.401 123.721 120.300 0.033 0.000 2.605 498 Y HA 0.135 4.685 4.550 -0.000 0.000 0.336 498 Y C 0.557 176.341 175.900 -0.194 0.000 1.111 498 Y CA -0.584 57.431 58.100 -0.142 0.000 1.422 498 Y CB 1.024 39.451 38.460 -0.056 0.000 1.193 498 Y HN 0.601 nan 8.280 nan 0.000 0.526 499 M N 5.686 124.898 119.600 -0.647 0.000 2.475 499 M HA 0.273 4.753 4.480 0.000 0.000 0.261 499 M C 0.881 176.754 176.300 -0.713 0.000 1.177 499 M CA 0.495 55.475 55.300 -0.533 0.000 0.979 499 M CB -1.042 31.376 32.600 -0.303 0.000 1.482 499 M HN 0.880 nan 8.290 nan 0.000 0.484 500 G N 1.548 109.502 108.800 -1.410 0.000 2.829 500 G HA2 -0.188 3.772 3.960 0.000 0.000 0.628 500 G HA3 -0.188 3.772 3.960 0.000 0.000 0.628 500 G C -0.606 174.015 174.900 -0.464 0.000 1.412 500 G CA -0.800 43.712 45.100 -0.981 0.000 0.864 500 G HN 0.468 nan 8.290 nan 0.000 0.544 501 E N 0.012 120.103 120.200 -0.182 0.000 2.398 501 E HA 0.433 4.783 4.350 0.000 0.000 0.263 501 E C 0.316 176.857 176.600 -0.099 0.000 1.046 501 E CA 0.457 56.810 56.400 -0.078 0.000 0.908 501 E CB 0.823 30.513 29.700 -0.016 0.000 0.963 501 E HN 0.552 nan 8.360 nan 0.000 0.431 502 Q N 1.793 121.552 119.800 -0.068 0.000 2.340 502 Q HA 0.289 4.629 4.340 0.000 0.000 0.276 502 Q C -2.679 173.301 176.000 -0.033 0.000 1.048 502 Q CA -2.034 53.731 55.803 -0.064 0.000 0.832 502 Q CB 2.206 30.894 28.738 -0.083 0.000 1.373 502 Q HN 0.203 nan 8.270 nan 0.000 0.409 503 P HA 0.056 nan 4.420 nan 0.000 0.271 503 P C 0.135 177.434 177.300 -0.003 0.000 1.220 503 P CA 0.201 63.295 63.100 -0.009 0.000 0.768 503 P CB 0.734 32.429 31.700 -0.008 0.000 0.848 504 L N 2.291 123.518 121.223 0.008 0.000 2.131 504 L HA -0.209 4.131 4.340 0.000 0.000 0.210 504 L C 2.799 179.685 176.870 0.026 0.000 1.092 504 L CA 2.226 57.076 54.840 0.017 0.000 0.759 504 L CB -1.379 40.695 42.059 0.025 0.000 0.903 504 L HN 0.347 nan 8.230 nan 0.000 0.435 505 K N 1.086 121.499 120.400 0.022 0.000 2.209 505 K HA -0.042 4.278 4.320 0.000 0.000 0.204 505 K C 1.244 177.857 176.600 0.021 0.000 1.048 505 K CA 1.895 58.196 56.287 0.023 0.000 0.940 505 K CB -0.908 31.602 32.500 0.017 0.000 0.729 505 K HN 0.431 nan 8.250 nan 0.000 0.451 506 K N 0.568 120.976 120.400 0.013 0.000 2.690 506 K HA 0.669 4.989 4.320 0.000 0.000 0.243 506 K C -0.975 175.626 176.600 0.002 0.000 0.982 506 K CA -0.531 55.762 56.287 0.010 0.000 0.955 506 K CB 0.375 32.877 32.500 0.002 0.000 1.185 506 K HN 0.269 nan 8.250 nan 0.000 0.467 507 L N 2.250 123.479 121.223 0.010 0.000 2.296 507 L HA 0.658 4.998 4.340 0.000 0.000 0.286 507 L C 0.925 177.793 176.870 -0.002 0.000 1.023 507 L CA -1.095 53.743 54.840 -0.004 0.000 0.812 507 L CB 1.974 44.031 42.059 -0.002 0.000 1.223 507 L HN 0.855 nan 8.230 nan 0.000 0.421 508 Q N 5.096 124.885 119.800 -0.018 0.000 2.288 508 Q HA 0.574 4.914 4.340 0.000 0.000 0.258 508 Q C -0.768 175.222 176.000 -0.017 0.000 0.957 508 Q CA -0.156 55.638 55.803 -0.016 0.000 0.919 508 Q CB 0.949 29.670 28.738 -0.027 0.000 1.185 508 Q HN 0.666 nan 8.270 nan 0.000 0.408 509 L N 4.729 125.949 121.223 -0.006 0.000 2.384 509 L HA 0.351 4.691 4.340 0.000 0.000 0.261 509 L C -2.463 174.405 176.870 -0.004 0.000 1.024 509 L CA -2.044 52.792 54.840 -0.007 0.000 0.899 509 L CB 1.943 44.003 42.059 0.002 0.000 1.243 509 L HN 0.521 nan 8.230 nan 0.000 0.449 510 P HA -0.027 nan 4.420 nan 0.000 0.267 510 P C -0.017 177.279 177.300 -0.007 0.000 1.201 510 P CA -0.106 62.987 63.100 -0.011 0.000 0.775 510 P CB 0.620 32.310 31.700 -0.017 0.000 0.854 511 A N 3.769 126.586 122.820 -0.006 0.000 2.565 511 A HA -0.037 4.283 4.320 0.000 0.000 0.237 511 A C 0.494 178.065 177.584 -0.021 0.000 1.053 511 A CA 0.206 52.239 52.037 -0.008 0.000 0.755 511 A CB -0.848 18.147 19.000 -0.009 0.000 0.980 511 A HN 0.660 nan 8.150 nan 0.000 0.506 512 R N -0.187 120.293 120.500 -0.034 0.000 3.152 512 R HA -0.149 4.191 4.340 0.000 0.000 0.252 512 R C -0.131 176.147 176.300 -0.037 0.000 0.930 512 R CA 0.933 56.992 56.100 -0.069 0.000 0.642 512 R CB -2.275 27.965 30.300 -0.100 0.000 1.205 512 R HN 1.466 nan 8.270 nan 0.000 0.452 513 S N -1.911 113.781 115.700 -0.014 0.000 2.570 513 S HA 0.742 5.212 4.470 0.000 0.000 0.270 513 S C -0.452 174.157 174.600 0.016 0.000 1.149 513 S CA -0.976 57.226 58.200 0.003 0.000 0.837 513 S CB 2.956 66.154 63.200 -0.005 0.000 1.124 513 S HN 0.042 nan 8.310 nan 0.000 0.465 514 V N 0.985 120.912 119.914 0.023 0.000 2.540 514 V HA 0.897 5.017 4.120 0.000 0.000 0.302 514 V C 0.100 176.189 176.094 -0.008 0.000 1.035 514 V CA -0.334 61.971 62.300 0.008 0.000 0.873 514 V CB 1.231 33.069 31.823 0.025 0.000 0.992 514 V HN 1.346 nan 8.190 nan 0.000 0.428 515 A N 2.914 125.710 122.820 -0.040 0.000 2.355 515 A HA 0.870 5.190 4.320 0.000 0.000 0.317 515 A C -0.212 177.324 177.584 -0.080 0.000 1.094 515 A CA -0.532 51.482 52.037 -0.038 0.000 0.764 515 A CB 1.594 20.570 19.000 -0.041 0.000 1.230 515 A HN 0.709 nan 8.150 nan 0.000 0.448 516 T N 2.088 116.602 114.554 -0.066 0.000 2.797 516 T HA 0.595 4.945 4.350 0.000 0.000 0.279 516 T C -0.616 174.018 174.700 -0.111 0.000 0.991 516 T CA 0.073 62.077 62.100 -0.160 0.000 0.979 516 T CB 0.620 69.290 68.868 -0.329 0.000 0.943 516 T HN 0.396 nan 8.240 nan 0.000 0.444 517 I N 3.049 123.553 120.570 -0.110 0.000 2.410 517 I HA 0.417 4.587 4.170 0.000 0.000 0.286 517 I C -0.538 175.553 176.117 -0.044 0.000 1.009 517 I CA -0.712 60.554 61.300 -0.055 0.000 1.111 517 I CB 1.783 39.758 38.000 -0.041 0.000 1.262 517 I HN 0.305 nan 8.210 nan 0.000 0.443 518 V N 7.044 126.958 119.914 0.001 0.000 2.417 518 V HA 0.588 4.708 4.120 0.000 0.000 0.291 518 V C 0.145 176.283 176.094 0.073 0.000 1.024 518 V CA -0.607 61.720 62.300 0.044 0.000 0.861 518 V CB 1.775 33.662 31.823 0.106 0.000 0.985 518 V HN 0.452 nan 8.190 nan 0.000 0.436 519 V N 0.000 119.956 119.914 0.070 0.000 2.409 519 V HA 0.000 4.120 4.120 0.000 0.000 0.244 519 V CA 0.000 62.337 62.300 0.062 0.000 1.235 519 V CB 0.000 31.851 31.823 0.047 0.000 1.184 519 V HN 0.000 nan 8.190 nan 0.000 0.556