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 3nb0_1_B DATA FIRST_RESID 2 DATA SEQUENCE SRDLQNHLLF ETATEVANRV GGIYSVLKSK APITVAQYKD HYHLIGPLNK DATA SEQUENCE ATYQNEVDIL DWKKPEAFSD EMRPVQHALQ TMESRGVHFV YGRWLIEGAP DATA SEQUENCE KVILFDLDSV RGYSNEWKGD LWSLVGIPSP ENDFETNDAI LLGYTVAWFL DATA SEQUENCE GEVAHLDSQH AIVAHFHEWL AGVALPLCRK RRIDVVTIFT THATLLGRYL DATA SEQUENCE CASGSFDFYN CLESVDVDHE AGRFGIYHRY CIERAAAHSA DVFTTVSQIT DATA SEQUENCE AFEAEHLLKR KPDGILPNGL NVIKFQAFHE FQNLHALKKE KINDFVRGHF DATA SEQUENCE HGCFDFDLDN TLYFFIAGRY EYKNKGADMF IEALARLNYR LKVSGSKKTV DATA SEQUENCE VAFIVMPAKN NSFTVEALKG QAEVRALENT VHEVTTSIGK RIFDHAIRYP DATA SEQUENCE HNGLTTELPT DLGELLKSSD KVMLKRRILA LRRPEGQLPP IVTHNMVDDA DATA SEQUENCE NDLILNKIRQ VQLFNSPSDR VKMIFHPEFL NANNPILGLD YDEFVRGCHL DATA SEQUENCE GVFPSYYEPW GYTPAECTVM GVPSITTNVS GFGSYMEDLI ETNQAKDYGI DATA SEQUENCE YIVDRRFKAP DESVEQLVDY MEEFVKKTRR QRINQRNATE ALSDLLDWKR DATA SEQUENCE MGLEYVKARQ LALRRGYPDQ FRELVGEELN DSNMDALAGG KKLKV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.541 174.600 -0.098 0.000 1.055 2 S CA 0.000 58.161 58.200 -0.064 0.000 1.107 2 S CB 0.000 63.172 63.200 -0.046 0.000 0.593 3 R N 0.964 121.362 120.500 -0.170 0.000 2.528 3 R HA 0.389 4.729 4.340 -0.000 0.000 0.271 3 R C -0.524 175.694 176.300 -0.136 0.000 1.056 3 R CA -0.805 55.195 56.100 -0.167 0.000 1.117 3 R CB 0.483 30.642 30.300 -0.235 0.000 1.085 3 R HN 0.467 nan 8.270 nan 0.000 0.530 4 D N 1.793 122.158 120.400 -0.059 0.000 2.343 4 D HA 0.035 4.675 4.640 -0.000 0.000 0.255 4 D C 0.750 177.088 176.300 0.063 0.000 1.187 4 D CA 0.161 54.165 54.000 0.007 0.000 0.875 4 D CB 0.993 41.824 40.800 0.052 0.000 1.136 4 D HN 0.394 nan 8.370 nan 0.000 0.469 5 L N 2.741 123.989 121.223 0.041 0.000 2.307 5 L HA -0.061 4.279 4.340 -0.000 0.000 0.211 5 L C 2.133 179.132 176.870 0.215 0.000 1.099 5 L CA 0.510 55.402 54.840 0.086 0.000 0.816 5 L CB 0.027 42.113 42.059 0.045 0.000 0.952 5 L HN 0.397 nan 8.230 nan 0.000 0.455 6 Q N -0.250 119.652 119.800 0.169 0.000 2.107 6 Q HA -0.058 4.282 4.340 -0.000 0.000 0.195 6 Q C 0.851 176.967 176.000 0.192 0.000 0.964 6 Q CA 0.536 56.450 55.803 0.184 0.000 0.833 6 Q CB 0.058 28.824 28.738 0.046 0.000 0.910 6 Q HN 0.196 nan 8.270 nan 0.000 0.465 7 N N 1.896 120.688 118.700 0.154 0.000 2.739 7 N HA -0.037 4.703 4.740 -0.000 0.000 0.266 7 N C -1.261 174.465 175.510 0.359 0.000 1.168 7 N CA 0.017 53.169 53.050 0.169 0.000 1.055 7 N CB -0.177 38.431 38.487 0.201 0.000 1.393 7 N HN 0.280 nan 8.380 nan 0.000 0.514 8 H N 0.662 119.897 119.070 0.274 0.000 2.797 8 H HA 0.525 5.081 4.556 -0.000 0.000 0.362 8 H C -1.034 174.467 175.328 0.288 0.000 1.183 8 H CA -0.982 55.242 56.048 0.292 0.000 1.197 8 H CB 0.716 30.631 29.762 0.255 0.000 1.835 8 H HN 0.017 nan 8.280 nan 0.000 0.567 9 L N 1.165 122.577 121.223 0.315 0.000 2.344 9 L HA 0.323 4.663 4.340 -0.000 0.000 0.272 9 L C -0.500 176.430 176.870 0.100 0.000 1.035 9 L CA -0.823 54.069 54.840 0.087 0.000 0.807 9 L CB 1.360 43.392 42.059 -0.046 0.000 1.237 9 L HN 0.538 nan 8.230 nan 0.000 0.442 10 L N 2.502 123.597 121.223 -0.214 0.000 2.404 10 L HA 0.606 4.945 4.340 -0.000 0.000 0.272 10 L C -1.564 175.105 176.870 -0.335 0.000 0.980 10 L CA -0.059 54.649 54.840 -0.220 0.000 0.836 10 L CB 1.050 42.759 42.059 -0.583 0.000 1.238 10 L HN 0.255 nan 8.230 nan 0.000 0.408 11 F N 3.042 123.025 119.950 0.055 0.000 2.444 11 F HA 0.541 5.067 4.527 -0.000 0.000 0.342 11 F C 0.246 176.015 175.800 -0.053 0.000 1.121 11 F CA -0.456 57.541 58.000 -0.004 0.000 0.997 11 F CB 1.796 40.813 39.000 0.029 0.000 1.130 11 F HN 0.474 nan 8.300 nan 0.000 0.454 12 E N 1.921 122.161 120.200 0.066 0.000 2.145 12 E HA 0.406 4.756 4.350 -0.000 0.000 0.262 12 E C -1.225 175.372 176.600 -0.005 0.000 0.883 12 E CA -0.405 56.026 56.400 0.052 0.000 0.748 12 E CB 1.144 30.927 29.700 0.138 0.000 1.140 12 E HN 0.555 nan 8.360 nan 0.000 0.417 13 T N 2.277 116.794 114.554 -0.062 0.000 2.824 13 T HA 0.807 5.156 4.350 -0.000 0.000 0.280 13 T C -0.923 173.874 174.700 0.162 0.000 0.995 13 T CA -0.418 61.683 62.100 0.002 0.000 1.009 13 T CB 1.465 70.303 68.868 -0.051 0.000 0.955 13 T HN 0.542 nan 8.240 nan 0.000 0.452 14 A N 1.888 124.776 122.820 0.114 0.000 2.608 14 A HA 0.619 4.938 4.320 -0.000 0.000 0.292 14 A C 0.925 178.534 177.584 0.041 0.000 1.066 14 A CA -0.730 51.379 52.037 0.120 0.000 0.676 14 A CB 0.527 19.567 19.000 0.065 0.000 1.277 14 A HN 0.616 nan 8.150 nan 0.000 0.413 15 T N 0.297 114.868 114.554 0.029 0.000 2.867 15 T HA -0.045 4.305 4.350 -0.000 0.000 0.268 15 T C 0.960 175.647 174.700 -0.020 0.000 1.057 15 T CA 2.204 64.302 62.100 -0.004 0.000 1.136 15 T CB -0.120 68.728 68.868 -0.033 0.000 0.874 15 T HN 0.665 nan 8.240 nan 0.000 0.466 16 E N 0.713 120.901 120.200 -0.019 0.000 2.445 16 E HA 0.190 4.539 4.350 -0.000 0.000 0.189 16 E C 1.676 178.249 176.600 -0.046 0.000 1.069 16 E CA -0.193 56.217 56.400 0.017 0.000 0.871 16 E CB -0.373 29.365 29.700 0.063 0.000 0.991 16 E HN 0.168 nan 8.360 nan 0.000 0.481 17 V N 1.096 120.900 119.914 -0.184 0.000 2.227 17 V HA -0.335 3.785 4.120 -0.000 0.000 0.249 17 V C 1.691 177.257 176.094 -0.880 0.000 1.046 17 V CA 2.321 64.346 62.300 -0.459 0.000 1.015 17 V CB -0.400 31.187 31.823 -0.394 0.000 0.648 17 V HN 0.455 nan 8.190 nan 0.000 0.460 18 A N 0.677 123.097 122.820 -0.667 0.000 2.610 18 A HA 0.411 4.731 4.320 -0.000 0.000 0.286 18 A C 0.306 177.819 177.584 -0.117 0.000 1.306 18 A CA 0.172 51.798 52.037 -0.686 0.000 0.942 18 A CB -0.700 17.901 19.000 -0.666 0.000 1.112 18 A HN 0.868 nan 8.150 nan 0.000 0.527 19 N N -1.639 117.076 118.700 0.025 0.000 2.397 19 N HA 0.277 5.017 4.740 -0.000 0.000 0.291 19 N C -0.579 174.963 175.510 0.052 0.000 1.065 19 N CA -0.760 52.326 53.050 0.060 0.000 0.884 19 N CB 1.030 39.524 38.487 0.012 0.000 1.551 19 N HN 0.067 nan 8.380 nan 0.000 0.487 20 R N 2.928 123.276 120.500 -0.253 0.000 3.641 20 R HA 0.124 4.463 4.340 -0.000 0.000 0.189 20 R C -0.388 175.801 176.300 -0.185 0.000 1.706 20 R CA -0.060 55.725 56.100 -0.525 0.000 1.311 20 R CB -0.195 29.549 30.300 -0.926 0.000 1.330 20 R HN 0.655 nan 8.270 nan 0.000 0.727 21 V N 1.614 121.499 119.914 -0.048 0.000 3.354 21 V HA 0.222 4.341 4.120 -0.000 0.000 0.258 21 V C 0.978 177.074 176.094 0.004 0.000 1.159 21 V CA 1.323 63.618 62.300 -0.008 0.000 1.125 21 V CB 0.804 32.636 31.823 0.015 0.000 0.774 21 V HN 0.818 nan 8.190 nan 0.000 0.464 22 G N -2.233 106.567 108.800 0.000 0.000 2.600 22 G HA2 0.447 4.407 3.960 -0.000 0.000 0.293 22 G HA3 0.447 4.407 3.960 -0.000 0.000 0.293 22 G C 0.582 175.468 174.900 -0.023 0.000 1.408 22 G CA 0.087 45.187 45.100 -0.000 0.000 0.782 22 G HN 0.059 nan 8.290 nan 0.000 0.482 23 G N -0.581 108.174 108.800 -0.076 0.000 2.498 23 G HA2 -0.065 3.894 3.960 -0.000 0.000 0.219 23 G HA3 -0.065 3.894 3.960 -0.000 0.000 0.219 23 G C 1.466 176.264 174.900 -0.169 0.000 1.119 23 G CA 0.982 45.966 45.100 -0.193 0.000 0.766 23 G HN 0.505 nan 8.290 nan 0.000 0.552 24 I N -0.780 119.699 120.570 -0.151 0.000 2.676 24 I HA -0.110 4.060 4.170 -0.000 0.000 0.259 24 I C 2.292 178.353 176.117 -0.093 0.000 1.194 24 I CA 0.536 61.696 61.300 -0.233 0.000 1.473 24 I CB -0.223 37.603 38.000 -0.291 0.000 1.096 24 I HN 0.267 nan 8.210 nan 0.000 0.443 25 Y N 1.913 122.150 120.300 -0.105 0.000 2.081 25 Y HA -0.347 4.203 4.550 -0.000 0.000 0.280 25 Y C 2.756 178.671 175.900 0.025 0.000 1.163 25 Y CA 2.212 60.310 58.100 -0.003 0.000 1.135 25 Y CB -0.210 38.251 38.460 0.002 0.000 0.970 25 Y HN 0.061 nan 8.280 nan 0.000 0.498 26 S N -0.469 115.314 115.700 0.139 0.000 2.382 26 S HA -0.192 4.278 4.470 -0.000 0.000 0.228 26 S C 2.073 176.662 174.600 -0.018 0.000 1.027 26 S CA 1.330 59.556 58.200 0.043 0.000 0.991 26 S CB -0.736 62.474 63.200 0.017 0.000 0.823 26 S HN 0.352 nan 8.310 nan 0.000 0.469 27 V N 2.403 122.306 119.914 -0.018 0.000 2.261 27 V HA -0.179 3.940 4.120 -0.000 0.000 0.246 27 V C 2.229 178.286 176.094 -0.061 0.000 1.047 27 V CA 1.667 64.005 62.300 0.065 0.000 1.015 27 V CB -0.829 31.020 31.823 0.045 0.000 0.642 27 V HN 0.421 nan 8.190 nan 0.000 0.446 28 L N -0.135 120.989 121.223 -0.164 0.000 2.046 28 L HA -0.199 4.140 4.340 -0.000 0.000 0.208 28 L C 2.586 179.317 176.870 -0.231 0.000 1.077 28 L CA 2.036 56.759 54.840 -0.194 0.000 0.747 28 L CB -0.692 41.316 42.059 -0.085 0.000 0.896 28 L HN 0.352 nan 8.230 nan 0.000 0.432 29 K N 0.653 120.868 120.400 -0.308 0.000 2.002 29 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 29 K C 2.351 178.706 176.600 -0.408 0.000 1.048 29 K CA 1.917 57.844 56.287 -0.600 0.000 0.930 29 K CB -0.129 31.952 32.500 -0.699 0.000 0.714 29 K HN 0.313 nan 8.250 nan 0.000 0.438 30 S N 0.244 115.819 115.700 -0.208 0.000 2.447 30 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 30 S C 1.884 176.309 174.600 -0.292 0.000 1.006 30 S CA 1.200 59.371 58.200 -0.048 0.000 0.957 30 S CB -0.114 63.240 63.200 0.257 0.000 0.773 30 S HN 0.371 nan 8.310 nan 0.000 0.507 31 K N 0.825 120.831 120.400 -0.656 0.000 2.400 31 K HA 0.324 4.644 4.320 -0.000 0.000 0.194 31 K C 2.137 178.260 176.600 -0.795 0.000 1.033 31 K CA 0.552 56.029 56.287 -1.350 0.000 1.021 31 K CB -0.395 31.174 32.500 -1.553 0.000 0.808 31 K HN 0.430 nan 8.250 nan 0.000 0.505 32 A N 2.207 124.721 122.820 -0.511 0.000 1.892 32 A HA -0.108 4.211 4.320 -0.000 0.000 0.218 32 A C -0.706 176.683 177.584 -0.326 0.000 1.188 32 A CA 1.230 53.053 52.037 -0.356 0.000 0.631 32 A CB -1.405 17.399 19.000 -0.326 0.000 0.822 32 A HN 0.267 nan 8.150 nan 0.000 0.447 33 P HA -0.156 nan 4.420 nan 0.000 0.215 33 P C 1.599 178.765 177.300 -0.222 0.000 1.157 33 P CA 1.529 64.496 63.100 -0.222 0.000 0.868 33 P CB -0.296 31.297 31.700 -0.177 0.000 0.788 34 I N -4.253 116.158 120.570 -0.264 0.000 2.614 34 I HA -0.110 4.060 4.170 -0.000 0.000 0.258 34 I C 1.498 177.462 176.117 -0.255 0.000 1.189 34 I CA 1.557 62.724 61.300 -0.222 0.000 1.462 34 I CB -1.418 36.469 38.000 -0.189 0.000 1.092 34 I HN -0.153 nan 8.210 nan 0.000 0.442 35 T N 1.075 115.408 114.554 -0.368 0.000 2.770 35 T HA 0.012 4.362 4.350 -0.000 0.000 0.258 35 T C 2.071 176.573 174.700 -0.329 0.000 1.039 35 T CA 1.429 63.271 62.100 -0.430 0.000 1.143 35 T CB -0.316 68.064 68.868 -0.812 0.000 0.866 35 T HN 0.202 nan 8.240 nan 0.000 0.428 36 V N 2.060 121.801 119.914 -0.289 0.000 2.407 36 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 36 V C 2.880 178.906 176.094 -0.114 0.000 1.055 36 V CA 1.636 63.855 62.300 -0.136 0.000 1.049 36 V CB -1.176 30.593 31.823 -0.090 0.000 0.662 36 V HN 0.534 nan 8.190 nan 0.000 0.455 37 A N -1.180 121.555 122.820 -0.140 0.000 2.067 37 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 37 A C 2.232 179.724 177.584 -0.152 0.000 1.158 37 A CA 1.852 53.812 52.037 -0.128 0.000 0.661 37 A CB -0.316 18.612 19.000 -0.121 0.000 0.801 37 A HN 0.614 nan 8.150 nan 0.000 0.452 38 Q N -2.490 117.200 119.800 -0.184 0.000 2.324 38 Q HA -0.006 4.334 4.340 -0.000 0.000 0.207 38 Q C 1.297 177.040 176.000 -0.429 0.000 0.928 38 Q CA 0.811 56.432 55.803 -0.303 0.000 0.890 38 Q CB 0.120 28.654 28.738 -0.340 0.000 1.001 38 Q HN 0.731 nan 8.270 nan 0.000 0.517 39 Y N -0.042 120.127 120.300 -0.217 0.000 2.524 39 Y HA 0.141 4.691 4.550 -0.000 0.000 0.270 39 Y C 0.915 176.739 175.900 -0.126 0.000 1.094 39 Y CA 0.264 58.249 58.100 -0.191 0.000 1.276 39 Y CB 0.635 39.004 38.460 -0.151 0.000 1.130 39 Y HN -0.016 nan 8.280 nan 0.000 0.536 40 K N 0.008 120.426 120.400 0.030 0.000 1.751 40 K HA -0.296 4.024 4.320 -0.000 0.000 0.134 40 K C 0.690 177.338 176.600 0.080 0.000 1.167 40 K CA 1.991 58.292 56.287 0.024 0.000 0.330 40 K CB -1.431 31.061 32.500 -0.013 0.000 0.663 40 K HN 0.406 nan 8.250 nan 0.000 0.817 41 D N 0.376 120.843 120.400 0.111 0.000 2.363 41 D HA -0.027 4.613 4.640 -0.000 0.000 0.226 41 D C 0.999 177.382 176.300 0.138 0.000 1.020 41 D CA 1.058 55.112 54.000 0.090 0.000 0.892 41 D CB -0.260 40.605 40.800 0.109 0.000 0.900 41 D HN 0.479 nan 8.370 nan 0.000 0.531 42 H N -1.282 117.791 119.070 0.005 0.000 2.539 42 H HA 0.172 4.728 4.556 -0.000 0.000 0.267 42 H C -0.770 174.526 175.328 -0.054 0.000 0.982 42 H CA -0.065 55.977 56.048 -0.010 0.000 1.146 42 H CB -0.299 29.475 29.762 0.021 0.000 1.382 42 H HN 0.186 nan 8.280 nan 0.000 0.577 43 Y N 0.436 120.638 120.300 -0.163 0.000 2.377 43 Y HA 0.420 4.969 4.550 -0.000 0.000 0.339 43 Y C -1.104 174.517 175.900 -0.465 0.000 1.011 43 Y CA -1.555 56.353 58.100 -0.319 0.000 1.093 43 Y CB 0.742 39.064 38.460 -0.231 0.000 1.201 43 Y HN 0.069 nan 8.280 nan 0.000 0.455 44 H N 5.198 123.787 119.070 -0.801 0.000 2.934 44 H HA 0.440 4.996 4.556 -0.000 0.000 0.340 44 H C -1.234 173.743 175.328 -0.585 0.000 1.008 44 H CA -0.619 55.094 56.048 -0.558 0.000 1.317 44 H CB 1.503 31.211 29.762 -0.089 0.000 1.670 44 H HN 0.662 nan 8.280 nan 0.000 0.516 45 L N 4.262 125.200 121.223 -0.474 0.000 2.371 45 L HA 0.424 4.763 4.340 -0.000 0.000 0.272 45 L C -0.355 176.429 176.870 -0.144 0.000 1.124 45 L CA -0.199 54.468 54.840 -0.288 0.000 0.816 45 L CB 0.683 42.590 42.059 -0.254 0.000 1.129 45 L HN 0.505 nan 8.230 nan 0.000 0.448 46 I N 1.749 122.264 120.570 -0.090 0.000 2.498 46 I HA 0.675 4.845 4.170 -0.000 0.000 0.290 46 I C 0.157 176.239 176.117 -0.057 0.000 1.032 46 I CA -0.321 60.937 61.300 -0.070 0.000 1.073 46 I CB 1.983 39.999 38.000 0.027 0.000 1.251 46 I HN 0.653 nan 8.210 nan 0.000 0.426 47 G N 5.295 114.048 108.800 -0.079 0.000 2.687 47 G HA2 0.696 4.656 3.960 -0.000 0.000 0.291 47 G HA3 0.696 4.656 3.960 -0.000 0.000 0.291 47 G C -3.310 171.587 174.900 -0.005 0.000 1.420 47 G CA -1.312 43.758 45.100 -0.050 0.000 0.796 47 G HN 0.235 nan 8.290 nan 0.000 0.485 48 P HA 0.338 nan 4.420 nan 0.000 0.281 48 P C -0.305 176.985 177.300 -0.016 0.000 1.252 48 P CA -0.605 62.519 63.100 0.039 0.000 0.778 48 P CB 1.305 33.034 31.700 0.048 0.000 0.895 49 L N 3.743 124.951 121.223 -0.025 0.000 2.500 49 L HA 0.186 4.526 4.340 -0.000 0.000 0.272 49 L C 0.222 177.060 176.870 -0.054 0.000 1.149 49 L CA 0.427 55.205 54.840 -0.104 0.000 0.897 49 L CB -0.782 41.174 42.059 -0.171 0.000 1.178 49 L HN 0.286 nan 8.230 nan 0.000 0.473 50 N N 4.479 123.164 118.700 -0.025 0.000 2.527 50 N HA 0.123 4.863 4.740 -0.000 0.000 0.236 50 N C 0.557 176.136 175.510 0.116 0.000 0.999 50 N CA -0.130 52.945 53.050 0.041 0.000 0.935 50 N CB 0.753 39.272 38.487 0.053 0.000 1.132 50 N HN 0.676 nan 8.380 nan 0.000 0.511 51 K N 1.845 122.299 120.400 0.091 0.000 2.211 51 K HA -0.081 4.238 4.320 -0.000 0.000 0.204 51 K C 1.292 178.042 176.600 0.250 0.000 1.047 51 K CA 1.407 57.807 56.287 0.189 0.000 0.935 51 K CB 0.157 32.711 32.500 0.091 0.000 0.728 51 K HN 0.516 nan 8.250 nan 0.000 0.452 52 A N 0.834 123.739 122.820 0.141 0.000 2.251 52 A HA -0.005 4.314 4.320 -0.000 0.000 0.209 52 A C 1.499 179.123 177.584 0.066 0.000 1.187 52 A CA 1.100 53.189 52.037 0.087 0.000 0.823 52 A CB -0.177 18.855 19.000 0.054 0.000 0.846 52 A HN 0.398 nan 8.150 nan 0.000 0.486 53 T N -5.656 108.957 114.554 0.099 0.000 3.147 53 T HA 0.024 4.374 4.350 -0.000 0.000 0.275 53 T C 1.382 176.111 174.700 0.048 0.000 0.879 53 T CA 0.508 62.638 62.100 0.050 0.000 0.863 53 T CB -0.937 67.957 68.868 0.043 0.000 1.236 53 T HN 0.501 nan 8.240 nan 0.000 0.582 54 Y N 1.965 122.262 120.300 -0.005 0.000 2.293 54 Y HA 0.187 4.737 4.550 -0.000 0.000 0.291 54 Y C 2.194 178.095 175.900 0.002 0.000 1.137 54 Y CA 1.020 59.111 58.100 -0.015 0.000 1.202 54 Y CB -0.428 38.013 38.460 -0.031 0.000 0.990 54 Y HN 0.176 nan 8.280 nan 0.000 0.537 55 Q N 0.681 119.989 119.800 -0.819 0.000 2.291 55 Q HA -0.119 4.221 4.340 -0.000 0.000 0.205 55 Q C 1.334 177.196 176.000 -0.231 0.000 0.970 55 Q CA 1.570 56.998 55.803 -0.625 0.000 0.876 55 Q CB -0.196 28.184 28.738 -0.596 0.000 0.935 55 Q HN 0.717 nan 8.270 nan 0.000 0.455 56 N N -0.419 118.200 118.700 -0.136 0.000 2.416 56 N HA -0.082 4.658 4.740 -0.000 0.000 0.177 56 N C 1.186 176.713 175.510 0.028 0.000 1.036 56 N CA 0.649 53.675 53.050 -0.040 0.000 0.901 56 N CB 0.329 38.806 38.487 -0.017 0.000 0.976 56 N HN 0.164 nan 8.380 nan 0.000 0.444 57 E N -0.004 120.232 120.200 0.061 0.000 2.201 57 E HA 0.104 4.454 4.350 -0.000 0.000 0.193 57 E C -0.004 176.715 176.600 0.198 0.000 0.957 57 E CA 0.385 56.894 56.400 0.183 0.000 0.858 57 E CB 0.667 30.488 29.700 0.202 0.000 0.816 57 E HN 0.020 nan 8.360 nan 0.000 0.475 58 V N 2.487 122.464 119.914 0.106 0.000 2.547 58 V HA 0.140 4.260 4.120 -0.000 0.000 0.299 58 V C -0.294 175.840 176.094 0.066 0.000 1.040 58 V CA -0.840 61.524 62.300 0.106 0.000 0.913 58 V CB 1.767 33.663 31.823 0.122 0.000 0.992 58 V HN -0.025 nan 8.190 nan 0.000 0.449 59 D N 4.091 124.527 120.400 0.061 0.000 2.468 59 D HA 0.269 4.909 4.640 -0.000 0.000 0.218 59 D C 0.161 176.494 176.300 0.054 0.000 1.155 59 D CA -0.220 53.805 54.000 0.041 0.000 0.924 59 D CB 0.191 41.007 40.800 0.027 0.000 1.029 59 D HN 0.413 nan 8.370 nan 0.000 0.515 60 I N 4.053 124.671 120.570 0.079 0.000 2.668 60 I HA -0.020 4.150 4.170 -0.000 0.000 0.285 60 I C 0.444 176.641 176.117 0.133 0.000 1.168 60 I CA 0.207 61.583 61.300 0.128 0.000 1.424 60 I CB 0.385 38.477 38.000 0.154 0.000 1.377 60 I HN 0.213 nan 8.210 nan 0.000 0.560 61 L N 5.696 127.042 121.223 0.205 0.000 2.319 61 L HA 0.412 4.752 4.340 -0.000 0.000 0.267 61 L C 0.062 177.110 176.870 0.298 0.000 1.011 61 L CA -0.797 54.187 54.840 0.241 0.000 0.818 61 L CB 1.643 43.884 42.059 0.304 0.000 1.316 61 L HN 0.516 nan 8.230 nan 0.000 0.432 62 D N 1.716 122.221 120.400 0.175 0.000 2.380 62 D HA 0.044 4.684 4.640 -0.000 0.000 0.230 62 D C 0.469 176.814 176.300 0.076 0.000 1.154 62 D CA -0.395 53.635 54.000 0.051 0.000 0.859 62 D CB 0.773 41.554 40.800 -0.032 0.000 1.045 62 D HN 0.547 nan 8.370 nan 0.000 0.495 63 W N 4.242 125.608 121.300 0.110 0.000 3.003 63 W HA 0.132 4.791 4.660 -0.000 0.000 0.257 63 W C 0.697 177.301 176.519 0.142 0.000 1.308 63 W CA -0.381 57.007 57.345 0.072 0.000 1.529 63 W CB -0.230 29.189 29.460 -0.068 0.000 1.115 63 W HN 0.249 nan 8.180 nan 0.000 0.659 64 K N 1.878 121.978 120.400 -0.500 0.000 2.366 64 K HA -0.052 4.268 4.320 -0.000 0.000 0.198 64 K C 0.828 177.368 176.600 -0.099 0.000 1.044 64 K CA 0.656 56.689 56.287 -0.425 0.000 0.973 64 K CB 0.026 32.125 32.500 -0.669 0.000 0.767 64 K HN 0.239 nan 8.250 nan 0.000 0.475 65 K N 0.754 121.133 120.400 -0.034 0.000 2.218 65 K HA 0.161 4.480 4.320 -0.000 0.000 0.276 65 K C -2.431 174.226 176.600 0.094 0.000 1.022 65 K CA -1.703 54.595 56.287 0.019 0.000 0.946 65 K CB 0.975 33.478 32.500 0.005 0.000 1.000 65 K HN -0.320 nan 8.250 nan 0.000 0.468 66 P HA -0.184 nan 4.420 nan 0.000 0.219 66 P C 0.707 178.076 177.300 0.115 0.000 1.146 66 P CA 1.184 64.345 63.100 0.102 0.000 0.808 66 P CB 0.202 31.945 31.700 0.071 0.000 0.779 67 E N -0.708 119.544 120.200 0.086 0.000 2.478 67 E HA 0.112 4.462 4.350 -0.000 0.000 0.194 67 E C 1.800 178.433 176.600 0.055 0.000 1.045 67 E CA 0.322 56.763 56.400 0.068 0.000 0.868 67 E CB -0.928 28.797 29.700 0.043 0.000 0.885 67 E HN 0.017 nan 8.360 nan 0.000 0.505 68 A N -0.321 122.542 122.820 0.071 0.000 2.019 68 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 68 A C 0.236 177.635 177.584 -0.308 0.000 1.164 68 A CA 0.781 52.781 52.037 -0.062 0.000 0.644 68 A CB -0.189 18.820 19.000 0.014 0.000 0.805 68 A HN 0.201 nan 8.150 nan 0.000 0.449 69 F N -0.801 119.187 119.950 0.063 0.000 2.565 69 F HA 0.414 4.940 4.527 -0.000 0.000 0.313 69 F C 0.768 176.597 175.800 0.047 0.000 1.091 69 F CA -0.527 57.508 58.000 0.058 0.000 0.915 69 F CB 1.738 40.749 39.000 0.019 0.000 1.208 69 F HN 0.049 nan 8.300 nan 0.000 0.453 70 S N 0.547 116.380 115.700 0.222 0.000 2.576 70 S HA 0.041 4.510 4.470 -0.000 0.000 0.272 70 S C 0.698 175.389 174.600 0.152 0.000 1.352 70 S CA -0.545 57.749 58.200 0.156 0.000 1.021 70 S CB 0.749 64.033 63.200 0.140 0.000 0.887 70 S HN 0.640 nan 8.310 nan 0.000 0.542 71 D N 1.170 121.637 120.400 0.113 0.000 2.123 71 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 71 D C 1.945 178.299 176.300 0.089 0.000 0.992 71 D CA 1.949 56.004 54.000 0.090 0.000 0.833 71 D CB -0.355 40.491 40.800 0.076 0.000 0.954 71 D HN 0.976 nan 8.370 nan 0.000 0.455 72 E N -0.412 119.857 120.200 0.115 0.000 2.418 72 E HA -0.097 4.253 4.350 -0.000 0.000 0.197 72 E C 1.415 178.115 176.600 0.168 0.000 1.026 72 E CA 0.535 57.027 56.400 0.153 0.000 0.862 72 E CB 0.068 29.894 29.700 0.210 0.000 0.799 72 E HN 0.075 nan 8.360 nan 0.000 0.518 73 M N 0.396 120.062 119.600 0.110 0.000 2.371 73 M HA 0.194 4.674 4.480 -0.000 0.000 0.246 73 M C 1.791 178.098 176.300 0.011 0.000 1.103 73 M CA 0.207 55.560 55.300 0.088 0.000 1.010 73 M CB -0.066 32.651 32.600 0.195 0.000 1.457 73 M HN 0.125 nan 8.290 nan 0.000 0.486 74 R N 1.177 121.647 120.500 -0.050 0.000 2.120 74 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 74 R C -0.950 175.051 176.300 -0.498 0.000 1.123 74 R CA 1.366 57.288 56.100 -0.297 0.000 0.975 74 R CB -0.832 29.345 30.300 -0.205 0.000 0.866 74 R HN 0.137 nan 8.270 nan 0.000 0.446 75 P HA -0.158 nan 4.420 nan 0.000 0.217 75 P C 1.090 178.264 177.300 -0.210 0.000 1.148 75 P CA 1.105 64.121 63.100 -0.139 0.000 0.828 75 P CB 0.062 31.758 31.700 -0.006 0.000 0.783 76 V N -0.500 119.259 119.914 -0.259 0.000 2.626 76 V HA -0.236 3.884 4.120 -0.000 0.000 0.252 76 V C 2.636 178.417 176.094 -0.522 0.000 1.067 76 V CA 1.697 63.840 62.300 -0.262 0.000 1.081 76 V CB -1.148 30.608 31.823 -0.112 0.000 0.686 76 V HN 0.201 nan 8.190 nan 0.000 0.468 77 Q N -0.217 119.042 119.800 -0.902 0.000 2.049 77 Q HA -0.205 4.135 4.340 -0.000 0.000 0.198 77 Q C 2.220 178.054 176.000 -0.277 0.000 0.971 77 Q CA 1.938 57.228 55.803 -0.853 0.000 0.833 77 Q CB -0.132 28.040 28.738 -0.943 0.000 0.896 77 Q HN 0.802 nan 8.270 nan 0.000 0.434 78 H N -0.662 118.325 119.070 -0.138 0.000 2.389 78 H HA -0.021 4.535 4.556 -0.000 0.000 0.299 78 H C 2.014 177.331 175.328 -0.018 0.000 1.081 78 H CA 0.634 56.668 56.048 -0.023 0.000 1.345 78 H CB 0.036 29.792 29.762 -0.010 0.000 1.393 78 H HN 0.413 nan 8.280 nan 0.000 0.520 79 A N 1.093 123.929 122.820 0.026 0.000 1.940 79 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 79 A C 2.273 179.856 177.584 -0.001 0.000 1.176 79 A CA 1.299 53.330 52.037 -0.011 0.000 0.631 79 A CB -0.658 18.248 19.000 -0.156 0.000 0.814 79 A HN 0.334 nan 8.150 nan 0.000 0.446 80 L N -1.410 119.747 121.223 -0.110 0.000 2.179 80 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 80 L C 2.856 179.659 176.870 -0.111 0.000 1.096 80 L CA 1.120 55.722 54.840 -0.397 0.000 0.779 80 L CB -0.384 41.192 42.059 -0.805 0.000 0.922 80 L HN 0.489 nan 8.230 nan 0.000 0.443 81 Q N -0.761 119.138 119.800 0.166 0.000 2.049 81 Q HA -0.155 4.185 4.340 -0.000 0.000 0.198 81 Q C 2.168 178.312 176.000 0.240 0.000 0.971 81 Q CA 1.961 57.990 55.803 0.377 0.000 0.833 81 Q CB -0.091 28.886 28.738 0.398 0.000 0.896 81 Q HN 0.393 nan 8.270 nan 0.000 0.434 82 T N 0.971 115.626 114.554 0.167 0.000 2.699 82 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 82 T C 1.714 176.490 174.700 0.127 0.000 1.036 82 T CA 1.506 63.693 62.100 0.145 0.000 1.147 82 T CB -0.179 68.768 68.868 0.133 0.000 0.862 82 T HN 0.163 nan 8.240 nan 0.000 0.446 83 M N 0.865 120.491 119.600 0.043 0.000 2.086 83 M HA -0.045 4.435 4.480 -0.000 0.000 0.261 83 M C 2.259 178.586 176.300 0.045 0.000 1.067 83 M CA 1.529 56.762 55.300 -0.112 0.000 1.116 83 M CB -0.202 32.264 32.600 -0.223 0.000 1.348 83 M HN 0.064 nan 8.290 nan 0.000 0.407 84 E N -0.869 119.476 120.200 0.241 0.000 2.072 84 E HA -0.108 4.241 4.350 -0.000 0.000 0.190 84 E C 1.742 178.444 176.600 0.171 0.000 0.982 84 E CA 1.330 57.897 56.400 0.279 0.000 0.803 84 E CB -0.062 29.909 29.700 0.451 0.000 0.755 84 E HN 0.429 nan 8.360 nan 0.000 0.453 85 S N 0.478 116.290 115.700 0.186 0.000 2.595 85 S HA -0.090 4.380 4.470 -0.000 0.000 0.235 85 S C 1.617 176.303 174.600 0.143 0.000 0.974 85 S CA 0.506 58.795 58.200 0.150 0.000 0.942 85 S CB -0.091 63.197 63.200 0.147 0.000 0.766 85 S HN 0.065 nan 8.310 nan 0.000 0.536 86 R N 0.331 120.923 120.500 0.154 0.000 2.397 86 R HA 0.279 4.619 4.340 -0.000 0.000 0.241 86 R C 1.185 177.597 176.300 0.188 0.000 0.914 86 R CA 0.658 56.891 56.100 0.221 0.000 1.071 86 R CB -0.017 30.514 30.300 0.385 0.000 1.116 86 R HN 0.277 nan 8.270 nan 0.000 0.524 87 G N -0.539 108.301 108.800 0.067 0.000 2.176 87 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.232 87 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.232 87 G C -0.331 174.446 174.900 -0.204 0.000 0.986 87 G CA 0.085 45.161 45.100 -0.040 0.000 0.643 87 G HN 0.146 nan 8.290 nan 0.000 0.522 88 V N 1.650 121.485 119.914 -0.132 0.000 2.461 88 V HA 0.441 4.561 4.120 -0.000 0.000 0.275 88 V C 0.526 176.578 176.094 -0.069 0.000 1.047 88 V CA -0.403 61.837 62.300 -0.100 0.000 0.955 88 V CB 0.835 32.573 31.823 -0.142 0.000 0.988 88 V HN 0.408 nan 8.190 nan 0.000 0.471 89 H N 5.623 124.765 119.070 0.120 0.000 2.489 89 H HA 0.641 5.196 4.556 -0.000 0.000 0.322 89 H C -0.426 174.932 175.328 0.050 0.000 1.091 89 H CA -0.326 55.710 56.048 -0.019 0.000 1.291 89 H CB 0.961 30.708 29.762 -0.025 0.000 1.436 89 H HN 0.654 nan 8.280 nan 0.000 0.480 90 F N -0.200 119.770 119.950 0.034 0.000 2.662 90 F HA 0.629 5.156 4.527 -0.000 0.000 0.312 90 F C -1.796 173.890 175.800 -0.189 0.000 1.113 90 F CA -1.340 56.538 58.000 -0.203 0.000 0.951 90 F CB 0.651 39.321 39.000 -0.550 0.000 1.344 90 F HN 0.185 nan 8.300 nan 0.000 0.462 91 V N 2.430 122.330 119.914 -0.024 0.000 2.384 91 V HA 0.341 4.461 4.120 -0.000 0.000 0.287 91 V C -1.228 174.922 176.094 0.092 0.000 1.020 91 V CA -0.668 61.634 62.300 0.004 0.000 0.850 91 V CB 1.227 32.965 31.823 -0.140 0.000 0.987 91 V HN 0.798 nan 8.190 nan 0.000 0.436 92 Y N 3.523 123.886 120.300 0.105 0.000 2.387 92 Y HA 0.856 5.406 4.550 -0.000 0.000 0.330 92 Y C 0.478 176.454 175.900 0.128 0.000 1.133 92 Y CA 0.591 58.745 58.100 0.091 0.000 1.152 92 Y CB 1.913 40.485 38.460 0.187 0.000 1.215 92 Y HN 0.819 nan 8.280 nan 0.000 0.466 93 G N 3.993 112.534 108.800 -0.431 0.000 2.317 93 G HA2 0.271 4.231 3.960 -0.000 0.000 0.293 93 G HA3 0.271 4.231 3.960 -0.000 0.000 0.293 93 G C -1.944 172.785 174.900 -0.285 0.000 1.287 93 G CA -1.283 43.692 45.100 -0.209 0.000 0.850 93 G HN 0.584 nan 8.290 nan 0.000 0.515 94 R N -0.579 119.858 120.500 -0.105 0.000 2.393 94 R HA 0.321 4.660 4.340 -0.000 0.000 0.310 94 R C -0.969 175.376 176.300 0.075 0.000 0.968 94 R CA -0.738 55.331 56.100 -0.052 0.000 0.867 94 R CB 1.794 32.071 30.300 -0.038 0.000 1.124 94 R HN 0.521 nan 8.270 nan 0.000 0.450 95 W N 6.017 127.239 121.300 -0.130 0.000 2.368 95 W HA 0.067 4.727 4.660 -0.000 0.000 0.316 95 W C -0.415 176.056 176.519 -0.080 0.000 1.375 95 W CA -0.759 56.527 57.345 -0.098 0.000 1.261 95 W CB 0.261 29.646 29.460 -0.124 0.000 1.298 95 W HN 0.530 nan 8.180 nan 0.000 0.539 96 L N 10.027 131.388 121.223 0.229 0.000 2.436 96 L HA 0.097 4.437 4.340 -0.000 0.000 0.244 96 L C 0.386 177.151 176.870 -0.174 0.000 1.396 96 L CA 0.081 54.930 54.840 0.015 0.000 1.217 96 L CB -1.439 40.656 42.059 0.061 0.000 1.420 96 L HN 0.315 nan 8.230 nan 0.000 0.434 97 I N -3.815 116.539 120.570 -0.360 0.000 3.174 97 I HA 0.462 4.632 4.170 -0.000 0.000 0.313 97 I C -0.136 175.783 176.117 -0.330 0.000 1.155 97 I CA -1.097 59.926 61.300 -0.460 0.000 0.977 97 I CB 1.758 39.210 38.000 -0.914 0.000 1.248 97 I HN -0.009 nan 8.210 nan 0.000 0.453 98 E N 1.180 121.209 120.200 -0.284 0.000 2.465 98 E HA 0.270 4.620 4.350 -0.000 0.000 0.260 98 E C 0.942 177.404 176.600 -0.231 0.000 0.980 98 E CA 1.542 57.814 56.400 -0.213 0.000 0.927 98 E CB 0.385 29.979 29.700 -0.177 0.000 0.934 98 E HN 0.998 nan 8.360 nan 0.000 0.459 99 G N 3.445 112.142 108.800 -0.172 0.000 2.308 99 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.221 99 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.221 99 G C 0.548 175.374 174.900 -0.123 0.000 1.032 99 G CA 0.095 45.102 45.100 -0.154 0.000 0.623 99 G HN 1.583 nan 8.290 nan 0.000 0.506 100 A N 0.217 122.949 122.820 -0.146 0.000 2.312 100 A HA 0.140 4.459 4.320 -0.000 0.000 0.286 100 A C -1.029 176.523 177.584 -0.053 0.000 1.425 100 A CA 1.514 53.493 52.037 -0.096 0.000 0.748 100 A CB -1.303 17.652 19.000 -0.075 0.000 1.126 100 A HN 1.226 nan 8.150 nan 0.000 0.368 101 P HA 0.348 nan 4.420 nan 0.000 0.284 101 P C -0.187 177.076 177.300 -0.061 0.000 1.253 101 P CA -0.345 62.761 63.100 0.010 0.000 0.800 101 P CB 0.879 32.660 31.700 0.136 0.000 0.961 102 K N 1.478 121.757 120.400 -0.203 0.000 2.469 102 K HA 0.259 4.579 4.320 -0.000 0.000 0.274 102 K C 0.389 176.821 176.600 -0.281 0.000 0.983 102 K CA -0.068 56.031 56.287 -0.314 0.000 0.974 102 K CB 0.122 32.362 32.500 -0.433 0.000 0.913 102 K HN 0.426 nan 8.250 nan 0.000 0.493 103 V N -0.990 118.729 119.914 -0.324 0.000 3.007 103 V HA 0.619 4.738 4.120 -0.000 0.000 0.311 103 V C -0.405 175.509 176.094 -0.300 0.000 1.120 103 V CA -1.107 61.032 62.300 -0.267 0.000 0.980 103 V CB 1.959 33.617 31.823 -0.274 0.000 1.033 103 V HN 0.603 nan 8.190 nan 0.000 0.429 104 I N 3.957 124.361 120.570 -0.277 0.000 2.420 104 I HA 0.458 4.628 4.170 -0.000 0.000 0.282 104 I C -0.920 174.895 176.117 -0.504 0.000 1.019 104 I CA -0.324 60.712 61.300 -0.440 0.000 1.130 104 I CB 1.641 39.252 38.000 -0.648 0.000 1.262 104 I HN 0.460 nan 8.210 nan 0.000 0.454 105 L N 6.278 127.239 121.223 -0.437 0.000 2.276 105 L HA 0.484 4.823 4.340 -0.000 0.000 0.286 105 L C -0.745 175.931 176.870 -0.322 0.000 1.024 105 L CA -0.487 54.160 54.840 -0.321 0.000 0.826 105 L CB 0.676 42.593 42.059 -0.237 0.000 1.211 105 L HN 0.367 nan 8.230 nan 0.000 0.422 106 F N 1.330 121.222 119.950 -0.097 0.000 2.420 106 F HA 0.130 4.657 4.527 -0.000 0.000 0.352 106 F C 0.858 176.651 175.800 -0.011 0.000 1.108 106 F CA -0.468 57.507 58.000 -0.042 0.000 1.162 106 F CB 0.680 39.631 39.000 -0.081 0.000 1.118 106 F HN 0.417 nan 8.300 nan 0.000 0.510 107 D N 3.767 124.289 120.400 0.204 0.000 2.342 107 D HA 0.072 4.712 4.640 -0.000 0.000 0.260 107 D C 0.870 177.275 176.300 0.174 0.000 1.278 107 D CA 0.071 54.150 54.000 0.132 0.000 0.910 107 D CB 0.643 41.510 40.800 0.113 0.000 1.079 107 D HN 0.357 nan 8.370 nan 0.000 0.496 108 L N 3.383 124.696 121.223 0.149 0.000 2.265 108 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 108 L C 1.758 178.719 176.870 0.152 0.000 1.117 108 L CA 1.175 56.113 54.840 0.163 0.000 0.782 108 L CB -0.305 41.844 42.059 0.149 0.000 0.914 108 L HN 0.429 nan 8.230 nan 0.000 0.441 109 D N -1.308 119.170 120.400 0.129 0.000 2.178 109 D HA -0.109 4.530 4.640 -0.000 0.000 0.202 109 D C 2.197 178.580 176.300 0.138 0.000 0.974 109 D CA 1.432 55.501 54.000 0.115 0.000 0.841 109 D CB -0.029 40.825 40.800 0.089 0.000 0.953 109 D HN 0.412 nan 8.370 nan 0.000 0.478 110 S N -0.361 115.449 115.700 0.183 0.000 2.607 110 S HA 0.025 4.495 4.470 -0.000 0.000 0.224 110 S C 1.423 176.129 174.600 0.176 0.000 0.969 110 S CA 0.118 58.446 58.200 0.212 0.000 0.927 110 S CB 0.248 63.632 63.200 0.305 0.000 0.772 110 S HN 0.037 nan 8.310 nan 0.000 0.533 111 V N 0.158 120.187 119.914 0.192 0.000 3.411 111 V HA 0.347 4.467 4.120 -0.000 0.000 0.287 111 V C 2.014 178.217 176.094 0.181 0.000 1.543 111 V CA -0.102 62.350 62.300 0.252 0.000 1.028 111 V CB -0.105 31.881 31.823 0.272 0.000 0.840 111 V HN 0.401 nan 8.190 nan 0.000 0.435 112 R N 1.468 122.037 120.500 0.116 0.000 2.200 112 R HA -0.117 4.222 4.340 -0.000 0.000 0.234 112 R C 2.153 178.426 176.300 -0.045 0.000 1.127 112 R CA 1.589 57.721 56.100 0.052 0.000 0.989 112 R CB -0.341 29.997 30.300 0.063 0.000 0.869 112 R HN 0.546 nan 8.270 nan 0.000 0.459 113 G N -0.103 108.648 108.800 -0.082 0.000 2.446 113 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.217 113 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.217 113 G C 0.875 175.544 174.900 -0.384 0.000 1.168 113 G CA 0.824 45.781 45.100 -0.239 0.000 0.771 113 G HN 0.442 nan 8.290 nan 0.000 0.551 114 Y N 1.163 121.138 120.300 -0.542 0.000 2.651 114 Y HA -0.017 4.532 4.550 -0.000 0.000 0.296 114 Y C 2.968 178.401 175.900 -0.779 0.000 1.150 114 Y CA 0.554 58.099 58.100 -0.924 0.000 1.348 114 Y CB -0.306 36.979 38.460 -1.958 0.000 0.983 114 Y HN 0.264 nan 8.280 nan 0.000 0.555 115 S N 1.035 116.551 115.700 -0.306 0.000 2.422 115 S HA -0.335 4.135 4.470 -0.000 0.000 0.248 115 S C 2.116 176.672 174.600 -0.074 0.000 1.069 115 S CA 2.298 60.434 58.200 -0.106 0.000 1.214 115 S CB -0.428 62.753 63.200 -0.031 0.000 1.122 115 S HN 0.574 nan 8.310 nan 0.000 0.432 116 N N 1.031 119.677 118.700 -0.089 0.000 2.223 116 N HA -0.107 4.633 4.740 -0.000 0.000 0.185 116 N C 1.861 177.340 175.510 -0.052 0.000 1.016 116 N CA 1.253 54.272 53.050 -0.053 0.000 0.863 116 N CB -0.588 37.863 38.487 -0.060 0.000 0.983 116 N HN 0.733 nan 8.380 nan 0.000 0.429 117 E N 0.130 120.259 120.200 -0.119 0.000 2.017 117 E HA -0.178 4.171 4.350 -0.000 0.000 0.193 117 E C 1.471 178.084 176.600 0.021 0.000 0.997 117 E CA 1.046 57.396 56.400 -0.082 0.000 0.804 117 E CB -0.079 29.521 29.700 -0.167 0.000 0.757 117 E HN 0.278 nan 8.360 nan 0.000 0.448 118 W N 1.172 122.346 121.300 -0.210 0.000 2.379 118 W HA -0.052 4.607 4.660 -0.000 0.000 0.307 118 W C 2.384 178.721 176.519 -0.304 0.000 1.200 118 W CA 0.772 57.792 57.345 -0.542 0.000 1.297 118 W CB -1.000 27.851 29.460 -1.015 0.000 1.140 118 W HN 0.170 nan 8.180 nan 0.000 0.507 119 K N -0.118 120.343 120.400 0.103 0.000 2.160 119 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 119 K C 2.188 178.887 176.600 0.165 0.000 1.047 119 K CA 1.837 58.209 56.287 0.140 0.000 0.930 119 K CB -0.594 31.965 32.500 0.099 0.000 0.720 119 K HN 0.128 nan 8.250 nan 0.000 0.450 120 G N -0.166 108.716 108.800 0.135 0.000 2.426 120 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.214 120 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.214 120 G C 1.088 176.117 174.900 0.216 0.000 1.156 120 G CA 0.687 45.891 45.100 0.173 0.000 0.802 120 G HN 0.416 nan 8.290 nan 0.000 0.534 121 D N -0.195 120.313 120.400 0.181 0.000 2.218 121 D HA -0.082 4.557 4.640 -0.000 0.000 0.204 121 D C 2.218 178.658 176.300 0.233 0.000 0.976 121 D CA 0.487 54.602 54.000 0.191 0.000 0.853 121 D CB -0.041 40.881 40.800 0.203 0.000 0.939 121 D HN 0.200 nan 8.370 nan 0.000 0.481 122 L N -0.127 121.274 121.223 0.296 0.000 2.044 122 L HA 0.014 4.354 4.340 -0.000 0.000 0.205 122 L C 1.950 178.954 176.870 0.223 0.000 1.075 122 L CA 1.354 56.359 54.840 0.276 0.000 0.747 122 L CB -0.817 41.443 42.059 0.335 0.000 0.903 122 L HN 0.339 nan 8.230 nan 0.000 0.435 123 W N -0.375 120.976 121.300 0.085 0.000 2.425 123 W HA -0.145 4.515 4.660 -0.000 0.000 0.277 123 W C 1.889 178.433 176.519 0.041 0.000 1.231 123 W CA 1.270 58.651 57.345 0.059 0.000 1.248 123 W CB 0.027 29.520 29.460 0.056 0.000 1.117 123 W HN 0.253 nan 8.180 nan 0.000 0.568 124 S N 1.088 116.839 115.700 0.085 0.000 2.356 124 S HA -0.062 4.408 4.470 -0.000 0.000 0.219 124 S C 1.917 176.468 174.600 -0.082 0.000 1.036 124 S CA 1.096 59.284 58.200 -0.021 0.000 0.965 124 S CB -0.602 62.643 63.200 0.075 0.000 0.864 124 S HN 0.174 nan 8.310 nan 0.000 0.471 125 L N 0.960 122.166 121.223 -0.028 0.000 2.072 125 L HA 0.001 4.341 4.340 -0.000 0.000 0.205 125 L C 1.890 178.694 176.870 -0.109 0.000 1.079 125 L CA 0.940 55.744 54.840 -0.059 0.000 0.752 125 L CB -0.288 41.752 42.059 -0.032 0.000 0.906 125 L HN 0.223 nan 8.230 nan 0.000 0.436 126 V N -1.910 117.937 119.914 -0.111 0.000 3.151 126 V HA 0.332 4.451 4.120 -0.000 0.000 0.241 126 V C 1.299 177.267 176.094 -0.211 0.000 1.173 126 V CA 0.687 62.903 62.300 -0.139 0.000 1.154 126 V CB 0.352 32.119 31.823 -0.095 0.000 0.898 126 V HN 0.509 nan 8.190 nan 0.000 0.473 127 G N 1.284 109.909 108.800 -0.292 0.000 2.140 127 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.211 127 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.211 127 G C -0.132 174.688 174.900 -0.134 0.000 1.013 127 G CA -0.026 44.725 45.100 -0.583 0.000 0.705 127 G HN 0.444 nan 8.290 nan 0.000 0.508 128 I N 1.656 122.326 120.570 0.166 0.000 2.297 128 I HA 0.262 4.432 4.170 -0.000 0.000 0.291 128 I C -1.636 174.799 176.117 0.530 0.000 1.033 128 I CA -2.342 59.136 61.300 0.296 0.000 1.253 128 I CB 1.358 39.452 38.000 0.156 0.000 1.396 128 I HN -0.097 nan 8.210 nan 0.000 0.476 129 P HA 0.020 nan 4.420 nan 0.000 0.271 129 P C -0.591 176.835 177.300 0.209 0.000 1.238 129 P CA -0.112 63.165 63.100 0.295 0.000 0.794 129 P CB 0.475 32.332 31.700 0.261 0.000 0.959 130 S N -1.746 113.988 115.700 0.055 0.000 2.787 130 S HA 0.301 4.771 4.470 -0.000 0.000 0.140 130 S C -2.921 171.664 174.600 -0.025 0.000 1.240 130 S CA -1.240 57.007 58.200 0.078 0.000 1.163 130 S CB -0.562 62.720 63.200 0.137 0.000 1.652 130 S HN 0.161 nan 8.310 nan 0.000 0.443 131 P HA 0.057 nan 4.420 nan 0.000 0.257 131 P C 0.845 178.130 177.300 -0.024 0.000 1.162 131 P CA 0.475 63.489 63.100 -0.142 0.000 0.762 131 P CB 0.537 32.068 31.700 -0.281 0.000 0.753 132 E N 3.760 123.956 120.200 -0.007 0.000 2.401 132 E HA -0.196 4.153 4.350 -0.000 0.000 0.199 132 E C 0.809 177.452 176.600 0.072 0.000 1.023 132 E CA 1.413 57.836 56.400 0.038 0.000 0.859 132 E CB -0.713 28.999 29.700 0.019 0.000 0.780 132 E HN 0.521 nan 8.360 nan 0.000 0.523 133 N N -0.708 118.028 118.700 0.061 0.000 2.383 133 N HA -0.034 4.706 4.740 -0.000 0.000 0.192 133 N C -0.166 175.443 175.510 0.164 0.000 1.141 133 N CA 0.187 53.298 53.050 0.102 0.000 0.851 133 N CB 0.329 38.856 38.487 0.067 0.000 0.976 133 N HN -0.090 nan 8.380 nan 0.000 0.465 134 D N 0.697 121.190 120.400 0.155 0.000 2.477 134 D HA 0.043 4.683 4.640 -0.000 0.000 0.239 134 D C 0.392 176.770 176.300 0.129 0.000 1.102 134 D CA -0.875 53.217 54.000 0.153 0.000 0.901 134 D CB 0.293 41.223 40.800 0.216 0.000 1.026 134 D HN 0.244 nan 8.370 nan 0.000 0.515 135 F N 1.960 121.992 119.950 0.136 0.000 2.269 135 F HA 0.038 4.564 4.527 -0.000 0.000 0.301 135 F C 1.572 177.450 175.800 0.130 0.000 1.082 135 F CA 0.553 58.623 58.000 0.117 0.000 1.360 135 F CB -0.219 38.836 39.000 0.092 0.000 1.041 135 F HN 0.194 nan 8.300 nan 0.000 0.512 136 E N 0.720 120.592 120.200 -0.548 0.000 2.072 136 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 136 E C 2.345 178.931 176.600 -0.022 0.000 0.982 136 E CA 1.741 57.959 56.400 -0.303 0.000 0.803 136 E CB -0.226 29.239 29.700 -0.391 0.000 0.755 136 E HN 0.599 nan 8.360 nan 0.000 0.453 137 T N -0.624 113.997 114.554 0.112 0.000 2.995 137 T HA -0.039 4.311 4.350 -0.000 0.000 0.269 137 T C 1.540 176.361 174.700 0.201 0.000 1.091 137 T CA 0.734 62.982 62.100 0.247 0.000 1.128 137 T CB -0.092 68.994 68.868 0.363 0.000 0.891 137 T HN -0.053 nan 8.240 nan 0.000 0.492 138 N N 2.102 120.905 118.700 0.171 0.000 2.106 138 N HA -0.067 4.673 4.740 -0.000 0.000 0.188 138 N C 1.526 177.145 175.510 0.182 0.000 1.029 138 N CA 1.500 54.658 53.050 0.180 0.000 0.848 138 N CB -0.427 38.170 38.487 0.183 0.000 1.007 138 N HN 0.485 nan 8.380 nan 0.000 0.423 139 D N 0.684 121.179 120.400 0.159 0.000 2.183 139 D HA 0.023 4.663 4.640 -0.000 0.000 0.203 139 D C 1.798 178.171 176.300 0.123 0.000 0.969 139 D CA 0.708 54.796 54.000 0.147 0.000 0.842 139 D CB -0.194 40.687 40.800 0.135 0.000 0.957 139 D HN 0.189 nan 8.370 nan 0.000 0.484 140 A N 1.095 123.969 122.820 0.090 0.000 1.877 140 A HA -0.141 4.178 4.320 -0.000 0.000 0.216 140 A C 2.356 180.019 177.584 0.132 0.000 1.186 140 A CA 0.913 52.990 52.037 0.067 0.000 0.620 140 A CB -0.747 18.273 19.000 0.034 0.000 0.822 140 A HN 0.168 nan 8.150 nan 0.000 0.443 141 I N -0.481 120.207 120.570 0.197 0.000 2.226 141 I HA -0.254 3.915 4.170 -0.000 0.000 0.245 141 I C 2.420 178.745 176.117 0.347 0.000 1.100 141 I CA 1.033 62.499 61.300 0.278 0.000 1.374 141 I CB -0.317 37.867 38.000 0.307 0.000 1.057 141 I HN 0.301 nan 8.210 nan 0.000 0.413 142 L N -0.137 121.276 121.223 0.316 0.000 2.017 142 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 142 L C 2.565 179.596 176.870 0.268 0.000 1.073 142 L CA 1.082 56.153 54.840 0.386 0.000 0.745 142 L CB -0.466 41.778 42.059 0.309 0.000 0.894 142 L HN 0.274 nan 8.230 nan 0.000 0.432 143 L N 0.016 121.340 121.223 0.169 0.000 2.046 143 L HA -0.063 4.276 4.340 -0.000 0.000 0.208 143 L C 2.323 179.215 176.870 0.037 0.000 1.077 143 L CA 2.089 56.988 54.840 0.098 0.000 0.747 143 L CB -1.107 41.010 42.059 0.097 0.000 0.896 143 L HN 0.143 nan 8.230 nan 0.000 0.432 144 G N -1.299 107.520 108.800 0.033 0.000 2.491 144 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.218 144 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.218 144 G C 1.457 176.219 174.900 -0.231 0.000 1.180 144 G CA 1.309 46.354 45.100 -0.091 0.000 0.774 144 G HN 0.500 nan 8.290 nan 0.000 0.562 145 Y N 1.205 121.307 120.300 -0.331 0.000 2.293 145 Y HA -0.062 4.488 4.550 -0.000 0.000 0.291 145 Y C 3.360 178.928 175.900 -0.553 0.000 1.137 145 Y CA 1.676 59.361 58.100 -0.692 0.000 1.202 145 Y CB -0.212 37.323 38.460 -1.542 0.000 0.990 145 Y HN 0.170 nan 8.280 nan 0.000 0.537 146 T N -1.185 113.239 114.554 -0.215 0.000 2.857 146 T HA -0.127 4.222 4.350 -0.000 0.000 0.266 146 T C 2.066 176.545 174.700 -0.368 0.000 1.048 146 T CA 1.354 63.309 62.100 -0.243 0.000 1.139 146 T CB -0.619 68.037 68.868 -0.354 0.000 0.874 146 T HN 0.082 nan 8.240 nan 0.000 0.455 147 V N 1.721 121.493 119.914 -0.237 0.000 2.379 147 V HA -0.087 4.033 4.120 -0.000 0.000 0.245 147 V C 2.936 179.029 176.094 -0.002 0.000 1.044 147 V CA 1.502 63.757 62.300 -0.075 0.000 1.036 147 V CB -1.192 30.693 31.823 0.104 0.000 0.664 147 V HN 0.515 nan 8.190 nan 0.000 0.453 148 A N -0.231 122.540 122.820 -0.082 0.000 1.908 148 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 148 A C 2.022 179.588 177.584 -0.031 0.000 1.181 148 A CA 1.978 53.949 52.037 -0.110 0.000 0.627 148 A CB -0.844 17.988 19.000 -0.280 0.000 0.818 148 A HN 0.706 nan 8.150 nan 0.000 0.445 149 W N 0.261 121.408 121.300 -0.254 0.000 2.315 149 W HA -0.257 4.403 4.660 -0.000 0.000 0.323 149 W C 1.971 178.399 176.519 -0.151 0.000 1.233 149 W CA 1.772 58.993 57.345 -0.208 0.000 1.267 149 W CB -1.386 27.933 29.460 -0.235 0.000 1.160 149 W HN 0.417 nan 8.180 nan 0.000 0.474 150 F N 0.937 120.819 119.950 -0.114 0.000 2.095 150 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 150 F C 2.382 178.076 175.800 -0.176 0.000 1.104 150 F CA 2.495 60.352 58.000 -0.239 0.000 1.232 150 F CB -0.963 37.856 39.000 -0.302 0.000 0.987 150 F HN -0.156 nan 8.300 nan 0.000 0.475 151 L N 0.008 121.025 121.223 -0.343 0.000 2.083 151 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 151 L C 2.828 179.534 176.870 -0.274 0.000 1.083 151 L CA 1.288 55.866 54.840 -0.438 0.000 0.752 151 L CB -1.637 40.314 42.059 -0.181 0.000 0.899 151 L HN 0.379 nan 8.230 nan 0.000 0.433 152 G N -0.496 108.223 108.800 -0.134 0.000 2.446 152 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 152 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 152 G C 1.458 176.324 174.900 -0.057 0.000 1.168 152 G CA 0.458 45.517 45.100 -0.068 0.000 0.771 152 G HN 0.275 nan 8.290 nan 0.000 0.551 153 E N 0.300 120.455 120.200 -0.074 0.000 2.085 153 E HA -0.098 4.251 4.350 -0.000 0.000 0.194 153 E C 2.886 179.428 176.600 -0.096 0.000 0.994 153 E CA 0.953 57.322 56.400 -0.050 0.000 0.801 153 E CB -0.509 29.165 29.700 -0.043 0.000 0.743 153 E HN 0.343 nan 8.360 nan 0.000 0.453 154 V N 1.511 121.233 119.914 -0.319 0.000 2.307 154 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 154 V C 2.476 178.519 176.094 -0.085 0.000 1.045 154 V CA 1.710 63.840 62.300 -0.282 0.000 1.024 154 V CB -0.889 30.617 31.823 -0.528 0.000 0.651 154 V HN 0.237 nan 8.190 nan 0.000 0.449 155 A N -0.473 122.310 122.820 -0.061 0.000 1.940 155 A HA -0.311 4.008 4.320 -0.000 0.000 0.219 155 A C 2.098 179.714 177.584 0.052 0.000 1.176 155 A CA 2.380 54.431 52.037 0.022 0.000 0.631 155 A CB -0.826 18.194 19.000 0.032 0.000 0.814 155 A HN 0.753 nan 8.150 nan 0.000 0.446 156 H N -0.342 118.707 119.070 -0.035 0.000 2.326 156 H HA 0.058 4.614 4.556 -0.000 0.000 0.301 156 H C 1.668 176.992 175.328 -0.006 0.000 1.081 156 H CA 1.961 58.000 56.048 -0.016 0.000 1.334 156 H CB -0.155 29.598 29.762 -0.016 0.000 1.385 156 H HN 0.362 nan 8.280 nan 0.000 0.504 157 L N -0.485 120.751 121.223 0.020 0.000 2.270 157 L HA 0.023 4.363 4.340 -0.000 0.000 0.210 157 L C 0.324 177.186 176.870 -0.015 0.000 1.104 157 L CA 0.315 55.151 54.840 -0.007 0.000 0.804 157 L CB 0.082 42.181 42.059 0.067 0.000 0.937 157 L HN 0.285 nan 8.230 nan 0.000 0.450 158 D N -0.675 119.724 120.400 -0.001 0.000 2.280 158 D HA 0.140 4.780 4.640 -0.000 0.000 0.236 158 D C 0.638 176.934 176.300 -0.006 0.000 1.082 158 D CA -0.021 53.994 54.000 0.025 0.000 0.834 158 D CB 1.664 42.525 40.800 0.101 0.000 1.100 158 D HN -0.020 nan 8.370 nan 0.000 0.486 159 S N 2.507 118.181 115.700 -0.043 0.000 2.505 159 S HA -0.046 4.423 4.470 -0.000 0.000 0.216 159 S C 1.506 176.048 174.600 -0.097 0.000 1.018 159 S CA -0.219 57.943 58.200 -0.062 0.000 0.911 159 S CB 0.353 63.513 63.200 -0.067 0.000 0.818 159 S HN 0.550 nan 8.310 nan 0.000 0.497 160 Q N 1.093 120.789 119.800 -0.173 0.000 2.096 160 Q HA -0.008 4.332 4.340 -0.000 0.000 0.197 160 Q C -0.154 175.662 176.000 -0.306 0.000 0.964 160 Q CA 0.807 56.422 55.803 -0.313 0.000 0.838 160 Q CB 0.127 28.541 28.738 -0.540 0.000 0.906 160 Q HN 0.595 nan 8.270 nan 0.000 0.444 161 H N -0.220 118.874 119.070 0.039 0.000 2.458 161 H HA 0.443 4.998 4.556 -0.000 0.000 0.330 161 H C -0.593 174.779 175.328 0.074 0.000 1.111 161 H CA -0.139 55.958 56.048 0.082 0.000 1.245 161 H CB 1.353 31.184 29.762 0.116 0.000 1.456 161 H HN 0.304 nan 8.280 nan 0.000 0.488 162 A N 3.635 126.574 122.820 0.198 0.000 2.425 162 A HA 0.363 4.683 4.320 -0.000 0.000 0.242 162 A C 0.245 178.004 177.584 0.292 0.000 1.077 162 A CA -0.125 52.006 52.037 0.156 0.000 0.781 162 A CB -0.087 18.963 19.000 0.084 0.000 1.020 162 A HN 0.674 nan 8.150 nan 0.000 0.494 163 I N 1.878 122.621 120.570 0.287 0.000 2.447 163 I HA 0.309 4.479 4.170 -0.000 0.000 0.287 163 I C -0.766 175.522 176.117 0.285 0.000 1.023 163 I CA -0.666 60.821 61.300 0.312 0.000 1.083 163 I CB 1.942 40.125 38.000 0.305 0.000 1.245 163 I HN 0.268 nan 8.210 nan 0.000 0.434 164 V N 5.292 125.375 119.914 0.283 0.000 2.394 164 V HA 0.686 4.806 4.120 -0.000 0.000 0.282 164 V C 0.297 176.536 176.094 0.242 0.000 1.031 164 V CA -0.424 62.008 62.300 0.219 0.000 0.881 164 V CB 1.498 33.430 31.823 0.183 0.000 0.982 164 V HN 0.826 nan 8.190 nan 0.000 0.451 165 A N 3.862 126.802 122.820 0.200 0.000 2.310 165 A HA 0.643 4.963 4.320 -0.000 0.000 0.304 165 A C -0.773 176.833 177.584 0.037 0.000 1.231 165 A CA -0.468 51.648 52.037 0.132 0.000 0.799 165 A CB 0.316 19.423 19.000 0.179 0.000 1.162 165 A HN 1.000 nan 8.150 nan 0.000 0.486 166 H N 1.511 120.471 119.070 -0.183 0.000 2.459 166 H HA 0.688 5.244 4.556 -0.000 0.000 0.332 166 H C -1.537 173.582 175.328 -0.348 0.000 1.094 166 H CA -0.597 55.382 56.048 -0.116 0.000 1.224 166 H CB 0.876 30.648 29.762 0.017 0.000 1.449 166 H HN 0.541 nan 8.280 nan 0.000 0.484 167 F N 3.150 123.334 119.950 0.390 0.000 2.540 167 F HA 0.281 4.808 4.527 -0.000 0.000 0.317 167 F C -0.200 175.719 175.800 0.197 0.000 1.104 167 F CA -0.778 57.421 58.000 0.332 0.000 0.913 167 F CB 1.538 40.751 39.000 0.355 0.000 1.170 167 F HN 0.534 nan 8.300 nan 0.000 0.450 168 H N 2.401 121.734 119.070 0.438 0.000 2.551 168 H HA 0.416 4.971 4.556 -0.000 0.000 0.321 168 H C -0.485 175.031 175.328 0.312 0.000 1.028 168 H CA -0.664 55.572 56.048 0.312 0.000 1.215 168 H CB 1.729 31.643 29.762 0.253 0.000 1.414 168 H HN 0.640 nan 8.280 nan 0.000 0.480 169 E N 1.284 121.701 120.200 0.362 0.000 8.389 169 E HA -0.195 4.155 4.350 -0.000 0.000 0.468 169 E C 0.796 177.729 176.600 0.557 0.000 0.993 169 E CA 0.591 57.244 56.400 0.422 0.000 1.743 169 E CB -0.483 29.372 29.700 0.259 0.000 0.996 169 E HN 0.817 nan 8.360 nan 0.000 0.262 170 W N 4.264 125.840 121.300 0.460 0.000 2.350 170 W HA -0.185 4.474 4.660 -0.000 0.000 0.289 170 W C 1.228 177.851 176.519 0.172 0.000 1.215 170 W CA 1.362 58.872 57.345 0.275 0.000 1.236 170 W CB -0.904 28.656 29.460 0.167 0.000 1.130 170 W HN 0.522 nan 8.180 nan 0.000 0.541 171 L N 1.551 122.368 121.223 -0.676 0.000 2.187 171 L HA -0.121 4.219 4.340 -0.000 0.000 0.213 171 L C 2.458 179.235 176.870 -0.155 0.000 1.100 171 L CA 1.692 56.136 54.840 -0.661 0.000 0.765 171 L CB -0.843 40.810 42.059 -0.676 0.000 0.904 171 L HN 0.097 nan 8.230 nan 0.000 0.437 172 A N -0.961 121.881 122.820 0.036 0.000 2.630 172 A HA 0.433 4.753 4.320 -0.000 0.000 0.290 172 A C 1.521 179.226 177.584 0.202 0.000 1.267 172 A CA 0.372 52.514 52.037 0.175 0.000 0.950 172 A CB -0.098 19.069 19.000 0.278 0.000 1.144 172 A HN 0.308 nan 8.150 nan 0.000 0.527 173 G N -1.220 107.629 108.800 0.081 0.000 3.020 173 G HA2 0.220 4.179 3.960 -0.000 0.000 0.217 173 G HA3 0.220 4.179 3.960 -0.000 0.000 0.217 173 G C 1.062 175.786 174.900 -0.294 0.000 1.144 173 G CA 0.861 45.881 45.100 -0.134 0.000 0.760 173 G HN 0.202 nan 8.290 nan 0.000 0.548 174 V N 1.636 121.446 119.914 -0.174 0.000 2.490 174 V HA -0.159 3.960 4.120 -0.000 0.000 0.250 174 V C 3.175 179.054 176.094 -0.359 0.000 1.061 174 V CA 1.937 64.117 62.300 -0.201 0.000 1.064 174 V CB -0.561 31.214 31.823 -0.080 0.000 0.670 174 V HN 0.411 nan 8.190 nan 0.000 0.461 175 A N -0.486 122.084 122.820 -0.416 0.000 2.121 175 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 175 A C 2.184 179.446 177.584 -0.537 0.000 1.154 175 A CA 1.231 52.987 52.037 -0.469 0.000 0.679 175 A CB -0.422 18.381 19.000 -0.327 0.000 0.795 175 A HN 0.526 nan 8.150 nan 0.000 0.458 176 L N -0.533 120.305 121.223 -0.641 0.000 1.994 176 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 176 L C -0.479 176.182 176.870 -0.347 0.000 1.071 176 L CA 1.477 55.998 54.840 -0.531 0.000 0.745 176 L CB -1.210 40.517 42.059 -0.553 0.000 0.892 176 L HN 0.218 nan 8.230 nan 0.000 0.431 177 P HA -0.126 nan 4.420 nan 0.000 0.221 177 P C 1.805 178.955 177.300 -0.250 0.000 1.150 177 P CA 1.192 64.138 63.100 -0.257 0.000 0.800 177 P CB 0.092 31.649 31.700 -0.239 0.000 0.787 178 L N -1.378 119.656 121.223 -0.316 0.000 2.027 178 L HA -0.176 4.164 4.340 -0.000 0.000 0.206 178 L C 2.477 179.208 176.870 -0.230 0.000 1.074 178 L CA 1.495 56.142 54.840 -0.320 0.000 0.745 178 L CB -1.395 40.377 42.059 -0.478 0.000 0.898 178 L HN 0.045 nan 8.230 nan 0.000 0.433 179 C N -0.280 118.892 119.300 -0.213 0.000 2.425 179 C HA -0.156 4.303 4.460 -0.000 0.000 0.277 179 C C 3.012 177.933 174.990 -0.115 0.000 1.280 179 C CA 0.885 59.822 59.018 -0.136 0.000 1.744 179 C CB -0.882 26.801 27.740 -0.094 0.000 1.989 179 C HN 0.489 nan 8.230 nan 0.000 0.491 180 R N 1.606 122.025 120.500 -0.134 0.000 2.075 180 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 180 R C 1.960 178.198 176.300 -0.104 0.000 1.126 180 R CA 1.696 57.728 56.100 -0.113 0.000 0.963 180 R CB -0.374 29.851 30.300 -0.125 0.000 0.858 180 R HN 0.490 nan 8.270 nan 0.000 0.435 181 K N -0.453 119.876 120.400 -0.119 0.000 2.186 181 K HA 0.065 4.385 4.320 -0.000 0.000 0.202 181 K C 1.931 178.477 176.600 -0.090 0.000 1.052 181 K CA 1.035 57.260 56.287 -0.104 0.000 0.965 181 K CB 0.107 32.539 32.500 -0.114 0.000 0.746 181 K HN 0.116 nan 8.250 nan 0.000 0.457 182 R N 0.721 121.160 120.500 -0.100 0.000 2.313 182 R HA 0.145 4.484 4.340 -0.000 0.000 0.199 182 R C -0.149 176.112 176.300 -0.064 0.000 0.958 182 R CA 0.027 56.076 56.100 -0.085 0.000 1.047 182 R CB 0.029 30.267 30.300 -0.104 0.000 0.955 182 R HN 0.102 nan 8.270 nan 0.000 0.481 183 R N 0.976 121.437 120.500 -0.063 0.000 3.416 183 R HA -0.174 4.166 4.340 -0.000 0.000 0.263 183 R C -0.479 175.804 176.300 -0.028 0.000 1.053 183 R CA 0.449 56.521 56.100 -0.046 0.000 0.705 183 R CB -2.085 28.194 30.300 -0.035 0.000 1.124 183 R HN 0.312 nan 8.270 nan 0.000 0.444 184 I N 0.528 121.077 120.570 -0.035 0.000 2.752 184 I HA -0.078 4.091 4.170 -0.000 0.000 0.287 184 I C 1.283 177.411 176.117 0.018 0.000 1.188 184 I CA 0.268 61.559 61.300 -0.014 0.000 1.427 184 I CB 0.286 38.268 38.000 -0.030 0.000 1.365 184 I HN 0.019 nan 8.210 nan 0.000 0.585 185 D N 6.473 126.904 120.400 0.051 0.000 2.801 185 D HA 0.233 4.872 4.640 -0.000 0.000 0.232 185 D C -0.658 175.733 176.300 0.153 0.000 1.128 185 D CA 0.092 54.158 54.000 0.109 0.000 1.003 185 D CB -0.189 40.687 40.800 0.127 0.000 1.110 185 D HN 0.303 nan 8.370 nan 0.000 0.477 186 V N -1.054 118.929 119.914 0.116 0.000 3.049 186 V HA 0.684 4.803 4.120 -0.000 0.000 0.309 186 V C -0.092 176.056 176.094 0.089 0.000 1.148 186 V CA -1.115 61.275 62.300 0.150 0.000 0.990 186 V CB 1.651 33.555 31.823 0.135 0.000 1.039 186 V HN -0.034 nan 8.190 nan 0.000 0.430 187 V N 0.588 120.567 119.914 0.108 0.000 2.617 187 V HA 0.957 5.077 4.120 -0.000 0.000 0.298 187 V C 0.288 176.433 176.094 0.085 0.000 1.048 187 V CA 0.385 62.706 62.300 0.035 0.000 0.964 187 V CB 1.063 32.891 31.823 0.008 0.000 1.004 187 V HN 1.482 nan 8.190 nan 0.000 0.466 188 T N 1.806 116.397 114.554 0.063 0.000 2.876 188 T HA 0.806 5.156 4.350 -0.000 0.000 0.289 188 T C -0.691 174.055 174.700 0.075 0.000 1.014 188 T CA -0.631 61.549 62.100 0.133 0.000 0.986 188 T CB 1.601 70.563 68.868 0.156 0.000 1.021 188 T HN 0.720 nan 8.240 nan 0.000 0.458 189 I N 2.304 122.919 120.570 0.076 0.000 2.608 189 I HA 0.606 4.775 4.170 -0.000 0.000 0.295 189 I C -1.354 174.826 176.117 0.105 0.000 1.049 189 I CA -1.101 60.136 61.300 -0.105 0.000 1.063 189 I CB 2.241 39.868 38.000 -0.623 0.000 1.248 189 I HN 0.653 nan 8.210 nan 0.000 0.424 190 F N 3.929 123.866 119.950 -0.022 0.000 2.518 190 F HA 0.544 5.071 4.527 -0.000 0.000 0.323 190 F C -0.593 175.261 175.800 0.090 0.000 1.129 190 F CA -0.361 57.713 58.000 0.123 0.000 0.920 190 F CB 1.803 40.913 39.000 0.184 0.000 1.160 190 F HN 0.281 nan 8.300 nan 0.000 0.440 191 T N 4.381 118.604 114.554 -0.552 0.000 2.770 191 T HA 0.287 4.637 4.350 -0.000 0.000 0.283 191 T C -0.328 173.891 174.700 -0.802 0.000 0.988 191 T CA -0.441 61.312 62.100 -0.578 0.000 0.957 191 T CB 1.174 69.842 68.868 -0.333 0.000 0.930 191 T HN 0.654 nan 8.240 nan 0.000 0.443 192 T N 2.209 116.380 114.554 -0.640 0.000 2.799 192 T HA 0.234 4.583 4.350 -0.000 0.000 0.286 192 T C 0.717 175.348 174.700 -0.116 0.000 0.973 192 T CA -0.585 61.362 62.100 -0.255 0.000 1.035 192 T CB 0.359 69.294 68.868 0.113 0.000 0.932 192 T HN 0.642 nan 8.240 nan 0.000 0.469 193 H N 2.761 121.896 119.070 0.107 0.000 2.529 193 H HA 0.541 5.097 4.556 -0.000 0.000 0.277 193 H C 0.669 176.119 175.328 0.203 0.000 1.004 193 H CA 0.243 56.385 56.048 0.155 0.000 1.167 193 H CB 0.565 30.433 29.762 0.177 0.000 1.445 193 H HN 0.746 nan 8.280 nan 0.000 0.554 194 A N 0.296 123.309 122.820 0.321 0.000 2.361 194 A HA 0.390 4.710 4.320 -0.000 0.000 0.297 194 A C -0.750 177.066 177.584 0.388 0.000 1.036 194 A CA -0.273 51.983 52.037 0.365 0.000 0.589 194 A CB 0.658 19.919 19.000 0.435 0.000 1.418 194 A HN 0.137 nan 8.150 nan 0.000 0.539 195 T N -1.214 113.600 114.554 0.433 0.000 2.900 195 T HA 0.615 4.965 4.350 -0.000 0.000 0.295 195 T C 0.878 175.746 174.700 0.279 0.000 1.044 195 T CA -0.314 61.998 62.100 0.354 0.000 0.995 195 T CB 0.968 70.044 68.868 0.348 0.000 1.072 195 T HN 0.726 nan 8.240 nan 0.000 0.473 196 L N 1.626 122.982 121.223 0.221 0.000 1.989 196 L HA -0.029 4.311 4.340 -0.000 0.000 0.211 196 L C 2.667 179.649 176.870 0.187 0.000 1.071 196 L CA 1.376 56.323 54.840 0.178 0.000 0.749 196 L CB -0.606 41.456 42.059 0.005 0.000 0.890 196 L HN 0.672 nan 8.230 nan 0.000 0.431 197 L N -0.625 120.700 121.223 0.170 0.000 2.131 197 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 197 L C 2.637 179.573 176.870 0.110 0.000 1.092 197 L CA 1.151 56.067 54.840 0.128 0.000 0.759 197 L CB -1.185 40.988 42.059 0.191 0.000 0.903 197 L HN 0.373 nan 8.230 nan 0.000 0.435 198 G N 1.231 110.111 108.800 0.133 0.000 2.480 198 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.216 198 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.216 198 G C 1.645 176.068 174.900 -0.795 0.000 1.200 198 G CA 0.998 46.092 45.100 -0.010 0.000 0.782 198 G HN 0.482 nan 8.290 nan 0.000 0.554 199 R N -1.248 118.717 120.500 -0.891 0.000 2.115 199 R HA 0.073 4.413 4.340 -0.000 0.000 0.226 199 R C 2.268 178.148 176.300 -0.700 0.000 1.100 199 R CA 1.247 56.635 56.100 -1.186 0.000 0.980 199 R CB -0.790 29.095 30.300 -0.692 0.000 0.875 199 R HN 0.395 nan 8.270 nan 0.000 0.445 200 Y N 1.536 121.504 120.300 -0.554 0.000 2.200 200 Y HA -0.060 4.489 4.550 -0.000 0.000 0.290 200 Y C 2.245 177.812 175.900 -0.555 0.000 1.137 200 Y CA 1.392 59.069 58.100 -0.706 0.000 1.163 200 Y CB -0.133 37.586 38.460 -1.235 0.000 0.988 200 Y HN -0.059 nan 8.280 nan 0.000 0.518 201 L N -1.840 119.272 121.223 -0.185 0.000 2.083 201 L HA -0.279 4.061 4.340 -0.000 0.000 0.209 201 L C 2.275 179.150 176.870 0.008 0.000 1.083 201 L CA 0.948 55.893 54.840 0.175 0.000 0.752 201 L CB -0.597 41.736 42.059 0.457 0.000 0.899 201 L HN 0.352 nan 8.230 nan 0.000 0.433 202 C N -0.743 118.327 119.300 -0.383 0.000 2.475 202 C HA 0.020 4.480 4.460 -0.000 0.000 0.279 202 C C 3.090 178.050 174.990 -0.050 0.000 1.322 202 C CA 0.463 59.326 59.018 -0.258 0.000 1.734 202 C CB -0.773 26.682 27.740 -0.476 0.000 2.005 202 C HN 0.595 nan 8.230 nan 0.000 0.495 203 A N 1.437 124.175 122.820 -0.136 0.000 1.933 203 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 203 A C 2.244 179.850 177.584 0.036 0.000 1.175 203 A CA 2.208 54.209 52.037 -0.060 0.000 0.628 203 A CB -0.785 18.119 19.000 -0.159 0.000 0.814 203 A HN 0.707 nan 8.150 nan 0.000 0.444 204 S N -1.069 114.692 115.700 0.102 0.000 2.474 204 S HA 0.236 4.705 4.470 -0.000 0.000 0.235 204 S C 1.545 176.236 174.600 0.152 0.000 0.997 204 S CA 1.021 59.335 58.200 0.190 0.000 0.949 204 S CB -0.999 62.409 63.200 0.346 0.000 0.766 204 S HN 1.909 nan 8.310 nan 0.000 0.517 205 G N 1.527 110.390 108.800 0.105 0.000 2.361 205 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.294 205 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.294 205 G C 0.687 175.657 174.900 0.116 0.000 1.004 205 G CA 0.748 45.875 45.100 0.044 0.000 0.870 205 G HN 1.254 nan 8.290 nan 0.000 0.510 206 S N -1.262 114.588 115.700 0.249 0.000 2.556 206 S HA 0.603 5.073 4.470 -0.000 0.000 0.216 206 S C 0.415 175.301 174.600 0.476 0.000 0.970 206 S CA 0.619 59.007 58.200 0.314 0.000 0.912 206 S CB -0.022 63.364 63.200 0.310 0.000 0.790 206 S HN 1.873 nan 8.310 nan 0.000 0.504 207 F N -1.494 118.534 119.950 0.131 0.000 2.944 207 F HA 0.482 5.009 4.527 -0.000 0.000 0.324 207 F C -1.848 174.072 175.800 0.200 0.000 1.151 207 F CA -1.574 56.510 58.000 0.139 0.000 0.883 207 F CB 0.064 39.143 39.000 0.131 0.000 1.341 207 F HN -0.141 nan 8.300 nan 0.000 0.456 208 D N 1.946 122.378 120.400 0.053 0.000 2.441 208 D HA 0.034 4.674 4.640 -0.000 0.000 0.243 208 D C 0.714 176.844 176.300 -0.283 0.000 1.257 208 D CA 0.099 54.096 54.000 -0.005 0.000 1.027 208 D CB -0.262 40.610 40.800 0.121 0.000 1.084 208 D HN 0.570 nan 8.370 nan 0.000 0.514 209 F N 3.467 123.016 119.950 -0.667 0.000 2.293 209 F HA -0.157 4.370 4.527 -0.000 0.000 0.300 209 F C 0.685 176.204 175.800 -0.468 0.000 1.086 209 F CA 1.153 58.621 58.000 -0.886 0.000 1.375 209 F CB 0.018 38.513 39.000 -0.842 0.000 1.045 209 F HN 0.304 nan 8.300 nan 0.000 0.516 210 Y N -0.591 119.681 120.300 -0.047 0.000 2.503 210 Y HA 0.099 4.649 4.550 -0.000 0.000 0.278 210 Y C 1.886 177.767 175.900 -0.032 0.000 1.111 210 Y CA 0.467 58.537 58.100 -0.050 0.000 1.270 210 Y CB -0.456 37.993 38.460 -0.019 0.000 1.063 210 Y HN 0.036 nan 8.280 nan 0.000 0.548 211 N N -1.871 116.886 118.700 0.096 0.000 2.368 211 N HA 0.052 4.792 4.740 -0.000 0.000 0.178 211 N C -0.040 175.536 175.510 0.108 0.000 1.076 211 N CA 0.583 53.693 53.050 0.100 0.000 0.889 211 N CB 0.296 38.845 38.487 0.102 0.000 1.040 211 N HN 0.093 nan 8.380 nan 0.000 0.463 212 C N 1.113 120.473 119.300 0.099 0.000 2.751 212 C HA 0.356 4.816 4.460 -0.000 0.000 0.248 212 C C 1.753 176.828 174.990 0.142 0.000 1.710 212 C CA -0.739 58.369 59.018 0.150 0.000 1.676 212 C CB -1.176 26.715 27.740 0.252 0.000 3.106 212 C HN 0.244 nan 8.230 nan 0.000 0.502 213 L N 1.724 122.923 121.223 -0.040 0.000 2.131 213 L HA 0.084 4.424 4.340 -0.000 0.000 0.206 213 L C 2.185 178.753 176.870 -0.504 0.000 1.087 213 L CA 2.081 56.769 54.840 -0.253 0.000 0.767 213 L CB -0.205 41.559 42.059 -0.493 0.000 0.917 213 L HN 0.281 nan 8.230 nan 0.000 0.441 214 E N -0.499 119.407 120.200 -0.490 0.000 2.331 214 E HA -0.162 4.188 4.350 -0.000 0.000 0.199 214 E C 2.038 178.486 176.600 -0.253 0.000 1.008 214 E CA 1.076 57.079 56.400 -0.662 0.000 0.843 214 E CB -0.321 29.276 29.700 -0.172 0.000 0.761 214 E HN 0.646 nan 8.360 nan 0.000 0.507 215 S N -0.351 115.285 115.700 -0.106 0.000 2.575 215 S HA 0.075 4.544 4.470 -0.000 0.000 0.215 215 S C 0.723 175.334 174.600 0.018 0.000 0.966 215 S CA -0.226 57.973 58.200 -0.002 0.000 0.911 215 S CB -0.245 62.958 63.200 0.006 0.000 0.780 215 S HN 0.126 nan 8.310 nan 0.000 0.514 216 V N 0.397 120.366 119.914 0.090 0.000 2.567 216 V HA 0.483 4.603 4.120 -0.000 0.000 0.289 216 V C -0.476 175.702 176.094 0.139 0.000 1.049 216 V CA -0.809 61.549 62.300 0.096 0.000 0.969 216 V CB 1.470 33.380 31.823 0.145 0.000 0.995 216 V HN 0.300 nan 8.190 nan 0.000 0.471 217 D N 3.828 124.231 120.400 0.004 0.000 2.373 217 D HA 0.231 4.871 4.640 -0.000 0.000 0.227 217 D C 1.091 177.379 176.300 -0.020 0.000 1.091 217 D CA 0.039 54.002 54.000 -0.062 0.000 0.840 217 D CB 2.063 42.713 40.800 -0.250 0.000 1.060 217 D HN 0.682 nan 8.370 nan 0.000 0.502 218 V N 2.313 122.206 119.914 -0.034 0.000 2.295 218 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 218 V C 1.571 177.603 176.094 -0.103 0.000 1.049 218 V CA 1.491 63.750 62.300 -0.068 0.000 1.024 218 V CB -0.487 31.303 31.823 -0.056 0.000 0.648 218 V HN 0.482 nan 8.190 nan 0.000 0.447 219 D N -0.396 119.999 120.400 -0.009 0.000 2.106 219 D HA -0.254 4.386 4.640 -0.000 0.000 0.191 219 D C 2.007 178.365 176.300 0.096 0.000 0.997 219 D CA 2.443 56.492 54.000 0.081 0.000 0.834 219 D CB -0.443 40.433 40.800 0.127 0.000 0.956 219 D HN 0.588 nan 8.370 nan 0.000 0.448 220 H N 1.514 120.546 119.070 -0.063 0.000 2.287 220 H HA -0.103 4.453 4.556 -0.000 0.000 0.292 220 H C 2.184 177.447 175.328 -0.109 0.000 1.068 220 H CA 1.544 57.540 56.048 -0.086 0.000 1.192 220 H CB -0.324 29.390 29.762 -0.080 0.000 1.360 220 H HN 0.139 nan 8.280 nan 0.000 0.516 221 E N 0.196 120.428 120.200 0.054 0.000 2.160 221 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 221 E C 2.368 178.980 176.600 0.020 0.000 0.991 221 E CA 0.905 57.297 56.400 -0.014 0.000 0.810 221 E CB -0.457 29.320 29.700 0.127 0.000 0.742 221 E HN 0.511 nan 8.360 nan 0.000 0.466 222 A N 1.273 124.071 122.820 -0.038 0.000 1.902 222 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 222 A C 2.523 180.126 177.584 0.032 0.000 1.181 222 A CA 1.916 53.909 52.037 -0.074 0.000 0.623 222 A CB -1.019 17.788 19.000 -0.321 0.000 0.818 222 A HN 0.348 nan 8.150 nan 0.000 0.443 223 G N 0.305 109.108 108.800 0.004 0.000 2.403 223 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 223 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 223 G C 1.580 176.420 174.900 -0.101 0.000 1.154 223 G CA 0.984 46.059 45.100 -0.043 0.000 0.784 223 G HN 0.722 nan 8.290 nan 0.000 0.538 224 R N -0.799 119.581 120.500 -0.200 0.000 2.316 224 R HA 0.214 4.554 4.340 -0.000 0.000 0.202 224 R C 1.126 177.198 176.300 -0.380 0.000 1.029 224 R CA 0.899 56.811 56.100 -0.314 0.000 1.018 224 R CB -0.525 29.525 30.300 -0.417 0.000 0.888 224 R HN 0.315 nan 8.270 nan 0.000 0.471 225 F N 0.027 119.914 119.950 -0.106 0.000 2.678 225 F HA 0.428 4.955 4.527 -0.000 0.000 0.305 225 F C 1.482 177.184 175.800 -0.163 0.000 1.090 225 F CA -0.162 57.739 58.000 -0.165 0.000 1.272 225 F CB 0.772 39.551 39.000 -0.368 0.000 1.060 225 F HN 0.267 nan 8.300 nan 0.000 0.576 226 G N 0.787 109.619 108.800 0.053 0.000 2.198 226 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 226 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 226 G C 0.841 175.785 174.900 0.075 0.000 1.025 226 G CA 0.563 45.708 45.100 0.074 0.000 0.769 226 G HN 0.253 nan 8.290 nan 0.000 0.507 227 I N -1.059 119.504 120.570 -0.012 0.000 4.139 227 I HA 0.164 4.333 4.170 -0.000 0.000 0.335 227 I C 2.011 178.059 176.117 -0.115 0.000 1.327 227 I CA -0.297 60.898 61.300 -0.175 0.000 1.112 227 I CB -1.002 36.765 38.000 -0.388 0.000 1.058 227 I HN 0.317 nan 8.210 nan 0.000 0.396 228 Y N 3.464 123.748 120.300 -0.026 0.000 2.062 228 Y HA -0.394 4.156 4.550 -0.000 0.000 0.273 228 Y C 3.008 178.969 175.900 0.102 0.000 1.206 228 Y CA 2.756 60.886 58.100 0.051 0.000 1.125 228 Y CB -0.392 38.116 38.460 0.081 0.000 0.951 228 Y HN 0.442 nan 8.280 nan 0.000 0.501 229 H N -0.833 118.296 119.070 0.097 0.000 2.389 229 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 229 H C 2.197 177.469 175.328 -0.093 0.000 1.081 229 H CA 1.675 57.743 56.048 0.033 0.000 1.345 229 H CB -0.793 29.037 29.762 0.114 0.000 1.393 229 H HN 0.357 nan 8.280 nan 0.000 0.520 230 R N 0.024 120.067 120.500 -0.763 0.000 2.073 230 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 230 R C 2.440 178.341 176.300 -0.665 0.000 1.134 230 R CA 1.511 57.110 56.100 -0.836 0.000 0.952 230 R CB -0.693 28.926 30.300 -1.135 0.000 0.850 230 R HN 0.349 nan 8.270 nan 0.000 0.433 231 Y N 0.967 120.909 120.300 -0.596 0.000 2.241 231 Y HA -0.334 4.216 4.550 -0.000 0.000 0.286 231 Y C 2.230 177.910 175.900 -0.366 0.000 1.166 231 Y CA 1.213 59.052 58.100 -0.434 0.000 1.203 231 Y CB -0.372 37.885 38.460 -0.338 0.000 0.977 231 Y HN 0.070 nan 8.280 nan 0.000 0.529 232 C N 0.292 119.359 119.300 -0.389 0.000 2.429 232 C HA -0.162 4.297 4.460 -0.000 0.000 0.277 232 C C 2.761 177.570 174.990 -0.302 0.000 1.262 232 C CA 1.247 60.036 59.018 -0.382 0.000 1.733 232 C CB -1.276 26.310 27.740 -0.256 0.000 2.010 232 C HN 0.646 nan 8.230 nan 0.000 0.483 233 I N 0.511 120.957 120.570 -0.207 0.000 2.252 233 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 233 I C 2.655 178.687 176.117 -0.142 0.000 1.102 233 I CA 1.612 62.858 61.300 -0.091 0.000 1.385 233 I CB -0.663 37.415 38.000 0.130 0.000 1.064 233 I HN 0.480 nan 8.210 nan 0.000 0.414 234 E N 1.309 121.400 120.200 -0.180 0.000 2.047 234 E HA -0.272 4.077 4.350 -0.000 0.000 0.191 234 E C 2.396 178.826 176.600 -0.282 0.000 0.987 234 E CA 1.112 57.445 56.400 -0.111 0.000 0.799 234 E CB 0.009 29.652 29.700 -0.095 0.000 0.752 234 E HN 0.269 nan 8.360 nan 0.000 0.449 235 R N 0.116 120.349 120.500 -0.444 0.000 2.073 235 R HA -0.146 4.193 4.340 -0.000 0.000 0.234 235 R C 2.230 178.392 176.300 -0.230 0.000 1.134 235 R CA 1.433 57.302 56.100 -0.384 0.000 0.952 235 R CB -0.332 29.614 30.300 -0.590 0.000 0.850 235 R HN 0.198 nan 8.270 nan 0.000 0.433 236 A N 0.729 123.377 122.820 -0.286 0.000 1.902 236 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 236 A C 2.373 179.754 177.584 -0.339 0.000 1.181 236 A CA 1.689 53.573 52.037 -0.256 0.000 0.623 236 A CB -0.806 18.054 19.000 -0.233 0.000 0.818 236 A HN 0.567 nan 8.150 nan 0.000 0.443 237 A N -0.096 122.428 122.820 -0.493 0.000 1.883 237 A HA 0.121 4.441 4.320 -0.000 0.000 0.217 237 A C 2.508 179.566 177.584 -0.877 0.000 1.186 237 A CA 2.228 53.759 52.037 -0.843 0.000 0.624 237 A CB -1.037 17.146 19.000 -1.360 0.000 0.822 237 A HN 1.099 nan 8.150 nan 0.000 0.444 238 A N -1.595 120.769 122.820 -0.759 0.000 1.969 238 A HA -0.148 4.171 4.320 -0.000 0.000 0.218 238 A C 2.026 179.169 177.584 -0.735 0.000 1.169 238 A CA 1.459 53.006 52.037 -0.817 0.000 0.635 238 A CB -0.784 17.532 19.000 -1.141 0.000 0.810 238 A HN 0.702 nan 8.150 nan 0.000 0.445 239 H N -0.867 117.932 119.070 -0.452 0.000 2.448 239 H HA 0.066 4.622 4.556 -0.000 0.000 0.292 239 H C 2.058 177.244 175.328 -0.237 0.000 1.035 239 H CA 1.280 57.144 56.048 -0.308 0.000 1.349 239 H CB 0.186 29.791 29.762 -0.262 0.000 1.425 239 H HN 0.484 nan 8.280 nan 0.000 0.539 240 S N 0.633 116.236 115.700 -0.161 0.000 2.461 240 S HA 0.112 4.582 4.470 -0.000 0.000 0.228 240 S C 1.262 175.780 174.600 -0.136 0.000 1.005 240 S CA 0.154 58.259 58.200 -0.160 0.000 0.942 240 S CB 0.086 63.156 63.200 -0.216 0.000 0.776 240 S HN 0.369 nan 8.310 nan 0.000 0.514 241 A N 1.816 124.559 122.820 -0.128 0.000 2.425 241 A HA 0.221 4.541 4.320 -0.000 0.000 0.249 241 A C 0.871 178.443 177.584 -0.020 0.000 1.084 241 A CA -0.430 51.585 52.037 -0.037 0.000 0.781 241 A CB 0.176 19.222 19.000 0.077 0.000 1.019 241 A HN 0.125 nan 8.150 nan 0.000 0.490 242 D N 0.369 120.760 120.400 -0.015 0.000 2.117 242 D HA -0.057 4.583 4.640 -0.000 0.000 0.197 242 D C 0.240 176.531 176.300 -0.015 0.000 0.987 242 D CA 1.661 55.641 54.000 -0.034 0.000 0.829 242 D CB 0.059 40.828 40.800 -0.051 0.000 0.961 242 D HN 0.242 nan 8.370 nan 0.000 0.460 243 V N 1.056 120.974 119.914 0.008 0.000 2.531 243 V HA 0.270 4.390 4.120 -0.000 0.000 0.301 243 V C -0.786 175.373 176.094 0.109 0.000 1.034 243 V CA -0.937 61.372 62.300 0.015 0.000 0.865 243 V CB 2.249 34.038 31.823 -0.057 0.000 0.995 243 V HN -0.093 nan 8.190 nan 0.000 0.424 244 F N 4.591 124.510 119.950 -0.053 0.000 2.458 244 F HA 0.833 5.360 4.527 -0.000 0.000 0.336 244 F C 0.117 175.878 175.800 -0.065 0.000 1.114 244 F CA -0.453 57.537 58.000 -0.017 0.000 0.987 244 F CB 1.875 40.871 39.000 -0.007 0.000 1.130 244 F HN 0.617 nan 8.300 nan 0.000 0.458 245 T N 1.649 115.817 114.554 -0.642 0.000 2.900 245 T HA 0.760 5.110 4.350 -0.000 0.000 0.303 245 T C -0.405 173.865 174.700 -0.717 0.000 1.142 245 T CA -0.390 61.327 62.100 -0.638 0.000 1.007 245 T CB 1.594 70.231 68.868 -0.385 0.000 1.156 245 T HN 0.805 nan 8.240 nan 0.000 0.490 246 T N -1.558 112.685 114.554 -0.519 0.000 2.807 246 T HA 0.627 4.977 4.350 -0.000 0.000 0.277 246 T C 1.195 175.747 174.700 -0.247 0.000 1.006 246 T CA -0.097 61.795 62.100 -0.346 0.000 1.006 246 T CB 1.038 69.776 68.868 -0.217 0.000 1.274 246 T HN 1.258 nan 8.240 nan 0.000 0.569 247 V N -1.564 118.257 119.914 -0.155 0.000 3.660 247 V HA 0.455 4.575 4.120 -0.000 0.000 0.276 247 V C 0.489 176.565 176.094 -0.031 0.000 1.317 247 V CA 0.421 62.644 62.300 -0.130 0.000 1.097 247 V CB -1.070 30.706 31.823 -0.077 0.000 0.863 247 V HN 1.181 nan 8.190 nan 0.000 0.438 248 S N -2.077 113.648 115.700 0.043 0.000 2.565 248 S HA 0.417 4.887 4.470 -0.000 0.000 0.269 248 S C 0.141 174.805 174.600 0.105 0.000 1.153 248 S CA -0.554 57.723 58.200 0.129 0.000 0.835 248 S CB 1.943 65.284 63.200 0.235 0.000 1.122 248 S HN -0.021 nan 8.310 nan 0.000 0.462 249 Q N 0.542 120.415 119.800 0.121 0.000 2.167 249 Q HA 0.068 4.408 4.340 -0.000 0.000 0.202 249 Q C 1.809 177.899 176.000 0.151 0.000 0.970 249 Q CA 1.461 57.328 55.803 0.107 0.000 0.855 249 Q CB -0.452 28.332 28.738 0.077 0.000 0.911 249 Q HN 0.833 nan 8.270 nan 0.000 0.438 250 I N 0.207 120.868 120.570 0.152 0.000 2.226 250 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 250 I C 1.889 178.185 176.117 0.298 0.000 1.100 250 I CA 1.371 62.794 61.300 0.205 0.000 1.374 250 I CB -0.208 37.866 38.000 0.123 0.000 1.057 250 I HN 0.143 nan 8.210 nan 0.000 0.413 251 T N 0.486 115.173 114.554 0.221 0.000 2.985 251 T HA 0.016 4.366 4.350 -0.000 0.000 0.266 251 T C 2.030 176.842 174.700 0.187 0.000 1.076 251 T CA 0.961 63.193 62.100 0.220 0.000 1.135 251 T CB -0.172 68.788 68.868 0.153 0.000 0.890 251 T HN 0.423 nan 8.240 nan 0.000 0.480 252 A N 1.703 124.609 122.820 0.144 0.000 1.883 252 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 252 A C 1.971 179.672 177.584 0.194 0.000 1.186 252 A CA 1.443 53.543 52.037 0.106 0.000 0.624 252 A CB -1.071 17.971 19.000 0.070 0.000 0.822 252 A HN 0.464 nan 8.150 nan 0.000 0.444 253 F N 1.186 121.196 119.950 0.100 0.000 2.126 253 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 253 F C 2.228 178.113 175.800 0.141 0.000 1.096 253 F CA 2.211 60.276 58.000 0.108 0.000 1.255 253 F CB -0.294 38.761 39.000 0.091 0.000 0.997 253 F HN 0.512 nan 8.300 nan 0.000 0.479 254 E N 0.178 120.415 120.200 0.061 0.000 2.107 254 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 254 E C 2.191 178.858 176.600 0.111 0.000 0.982 254 E CA 0.946 57.357 56.400 0.019 0.000 0.809 254 E CB -0.375 29.506 29.700 0.303 0.000 0.756 254 E HN 0.409 nan 8.360 nan 0.000 0.459 255 A N 1.390 124.318 122.820 0.180 0.000 1.969 255 A HA -0.198 4.121 4.320 -0.000 0.000 0.218 255 A C 2.075 179.785 177.584 0.209 0.000 1.169 255 A CA 1.468 53.656 52.037 0.252 0.000 0.635 255 A CB -0.524 18.669 19.000 0.323 0.000 0.810 255 A HN 0.487 nan 8.150 nan 0.000 0.445 256 E N -1.114 119.170 120.200 0.140 0.000 2.077 256 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 256 E C 1.824 178.467 176.600 0.072 0.000 0.989 256 E CA 1.526 57.994 56.400 0.113 0.000 0.800 256 E CB -0.219 29.543 29.700 0.104 0.000 0.746 256 E HN 0.833 nan 8.360 nan 0.000 0.452 257 H N -0.607 118.410 119.070 -0.090 0.000 2.482 257 H HA 0.129 4.685 4.556 -0.000 0.000 0.286 257 H C 1.800 177.132 175.328 0.008 0.000 1.017 257 H CA 0.923 56.919 56.048 -0.087 0.000 1.322 257 H CB 0.256 29.877 29.762 -0.234 0.000 1.426 257 H HN 0.119 nan 8.280 nan 0.000 0.546 258 L N -0.498 120.778 121.223 0.089 0.000 2.354 258 L HA 0.099 4.439 4.340 -0.000 0.000 0.212 258 L C 1.245 178.237 176.870 0.203 0.000 1.091 258 L CA 0.419 55.353 54.840 0.156 0.000 0.828 258 L CB 0.281 42.494 42.059 0.258 0.000 0.973 258 L HN 0.258 nan 8.230 nan 0.000 0.461 259 L N -0.991 120.315 121.223 0.139 0.000 2.766 259 L HA 0.171 4.511 4.340 -0.000 0.000 0.242 259 L C 0.331 177.246 176.870 0.075 0.000 1.136 259 L CA -0.155 54.725 54.840 0.066 0.000 0.933 259 L CB 0.356 42.419 42.059 0.007 0.000 1.241 259 L HN 0.048 nan 8.230 nan 0.000 0.522 260 K N 0.945 121.386 120.400 0.068 0.000 3.129 260 K HA -0.195 4.124 4.320 -0.000 0.000 0.273 260 K C 0.064 176.688 176.600 0.041 0.000 1.123 260 K CA 0.802 57.139 56.287 0.085 0.000 0.800 260 K CB -1.582 31.001 32.500 0.139 0.000 1.238 260 K HN 0.438 nan 8.250 nan 0.000 0.492 261 R N 0.641 121.097 120.500 -0.073 0.000 2.522 261 R HA 0.254 4.593 4.340 -0.000 0.000 0.283 261 R C -0.900 175.489 176.300 0.149 0.000 1.074 261 R CA -0.734 55.306 56.100 -0.101 0.000 0.925 261 R CB 1.473 31.465 30.300 -0.514 0.000 1.205 261 R HN 0.071 nan 8.270 nan 0.000 0.436 262 K N 5.235 125.718 120.400 0.139 0.000 2.349 262 K HA 0.241 4.561 4.320 -0.000 0.000 0.288 262 K C -2.208 174.509 176.600 0.195 0.000 1.058 262 K CA -1.611 54.771 56.287 0.158 0.000 0.953 262 K CB 0.823 33.383 32.500 0.100 0.000 0.997 262 K HN 0.315 nan 8.250 nan 0.000 0.477 263 P HA -0.015 nan 4.420 nan 0.000 0.269 263 P C -0.458 176.805 177.300 -0.062 0.000 1.209 263 P CA -0.056 62.957 63.100 -0.145 0.000 0.776 263 P CB 0.560 32.009 31.700 -0.419 0.000 0.876 264 D N 0.709 121.068 120.400 -0.068 0.000 2.363 264 D HA 0.121 4.760 4.640 -0.000 0.000 0.220 264 D C 1.051 177.306 176.300 -0.074 0.000 0.994 264 D CA 0.945 54.918 54.000 -0.046 0.000 0.890 264 D CB 0.253 41.033 40.800 -0.033 0.000 0.906 264 D HN 0.556 nan 8.370 nan 0.000 0.530 265 G N -0.008 108.719 108.800 -0.122 0.000 2.338 265 G HA2 0.316 4.276 3.960 -0.000 0.000 0.295 265 G HA3 0.316 4.276 3.960 -0.000 0.000 0.295 265 G C -1.742 173.069 174.900 -0.148 0.000 1.461 265 G CA -0.794 44.242 45.100 -0.108 0.000 0.817 265 G HN -0.084 nan 8.290 nan 0.000 0.556 266 I N 0.719 121.227 120.570 -0.104 0.000 2.377 266 I HA 0.439 4.608 4.170 -0.000 0.000 0.293 266 I C -0.001 176.043 176.117 -0.122 0.000 0.987 266 I CA -0.945 60.290 61.300 -0.108 0.000 1.185 266 I CB 1.195 39.174 38.000 -0.035 0.000 1.341 266 I HN 0.357 nan 8.210 nan 0.000 0.455 267 L N 7.546 128.664 121.223 -0.175 0.000 2.426 267 L HA 0.346 4.686 4.340 -0.000 0.000 0.255 267 L C -2.305 174.460 176.870 -0.174 0.000 1.080 267 L CA -1.583 53.168 54.840 -0.148 0.000 0.960 267 L CB 0.808 42.690 42.059 -0.294 0.000 1.326 267 L HN 0.247 nan 8.230 nan 0.000 0.441 268 P HA 0.015 nan 4.420 nan 0.000 0.268 268 P C -0.495 176.300 177.300 -0.842 0.000 1.204 268 P CA -0.131 62.494 63.100 -0.792 0.000 0.768 268 P CB 0.401 31.575 31.700 -0.877 0.000 0.842 269 N N 1.323 119.257 118.700 -1.276 0.000 2.483 269 N HA 0.178 4.917 4.740 -0.000 0.000 0.264 269 N C 0.876 175.696 175.510 -1.150 0.000 1.197 269 N CA 0.522 53.035 53.050 -0.896 0.000 0.927 269 N CB 0.359 38.496 38.487 -0.583 0.000 1.065 269 N HN 0.456 nan 8.380 nan 0.000 0.461 270 G N 0.807 108.316 108.800 -2.152 0.000 2.557 270 G HA2 0.702 4.662 3.960 -0.000 0.000 0.302 270 G HA3 0.702 4.662 3.960 -0.000 0.000 0.302 270 G C -0.562 173.428 174.900 -1.517 0.000 1.311 270 G CA -0.477 43.313 45.100 -2.183 0.000 1.030 270 G HN 0.419 nan 8.290 nan 0.000 0.509 271 L N -0.449 120.219 121.223 -0.925 0.000 2.388 271 L HA 0.329 4.669 4.340 -0.000 0.000 0.264 271 L C -0.694 176.174 176.870 -0.002 0.000 0.998 271 L CA -1.063 53.610 54.840 -0.279 0.000 0.817 271 L CB 2.445 44.433 42.059 -0.118 0.000 1.338 271 L HN 0.410 nan 8.230 nan 0.000 0.414 272 N N 1.676 120.464 118.700 0.147 0.000 2.968 272 N HA 0.154 4.894 4.740 -0.000 0.000 0.271 272 N C -0.895 174.620 175.510 0.008 0.000 1.174 272 N CA -0.200 52.917 53.050 0.112 0.000 1.096 272 N CB 0.227 38.755 38.487 0.069 0.000 1.403 272 N HN 0.254 nan 8.380 nan 0.000 0.522 273 V N 5.115 125.020 119.914 -0.015 0.000 2.421 273 V HA 0.063 4.182 4.120 -0.000 0.000 0.271 273 V C 1.183 177.210 176.094 -0.111 0.000 1.031 273 V CA -0.645 61.620 62.300 -0.058 0.000 1.032 273 V CB -0.555 31.236 31.823 -0.053 0.000 1.009 273 V HN 0.436 nan 8.190 nan 0.000 0.477 274 I N 3.060 123.533 120.570 -0.162 0.000 2.533 274 I HA 0.372 4.542 4.170 -0.000 0.000 0.284 274 I C 0.233 176.066 176.117 -0.472 0.000 1.109 274 I CA 0.030 61.160 61.300 -0.284 0.000 1.412 274 I CB 0.274 38.096 38.000 -0.298 0.000 1.396 274 I HN 0.399 nan 8.210 nan 0.000 0.543 275 K N 5.661 125.790 120.400 -0.451 0.000 2.123 275 K HA 0.578 4.898 4.320 -0.000 0.000 0.248 275 K C -1.114 175.115 176.600 -0.618 0.000 0.969 275 K CA -0.569 55.460 56.287 -0.430 0.000 0.882 275 K CB 1.939 34.340 32.500 -0.165 0.000 1.080 275 K HN 0.511 nan 8.250 nan 0.000 0.441 276 F N 0.367 120.314 119.950 -0.005 0.000 2.546 276 F HA 0.241 4.768 4.527 -0.000 0.000 0.320 276 F C 1.877 177.677 175.800 -0.000 0.000 1.076 276 F CA -0.716 57.277 58.000 -0.011 0.000 0.928 276 F CB 1.459 40.443 39.000 -0.026 0.000 1.189 276 F HN 0.549 nan 8.300 nan 0.000 0.465 277 Q N 1.510 121.416 119.800 0.175 0.000 2.124 277 Q HA 0.040 4.379 4.340 -0.000 0.000 0.202 277 Q C 0.215 176.275 176.000 0.100 0.000 0.977 277 Q CA 1.211 57.077 55.803 0.103 0.000 0.850 277 Q CB 0.126 28.908 28.738 0.074 0.000 0.901 277 Q HN 0.712 nan 8.270 nan 0.000 0.429 278 A N -0.393 122.459 122.820 0.053 0.000 2.305 278 A HA 0.280 4.600 4.320 -0.000 0.000 0.322 278 A C 0.062 177.642 177.584 -0.008 0.000 1.187 278 A CA -0.606 51.405 52.037 -0.044 0.000 0.825 278 A CB 0.267 19.066 19.000 -0.334 0.000 1.164 278 A HN 0.514 nan 8.150 nan 0.000 0.498 279 F N 3.150 123.111 119.950 0.019 0.000 2.171 279 F HA -0.219 4.308 4.527 -0.000 0.000 0.300 279 F C 2.289 178.226 175.800 0.228 0.000 1.090 279 F CA 2.499 60.592 58.000 0.155 0.000 1.293 279 F CB -0.021 39.092 39.000 0.187 0.000 1.013 279 F HN 0.816 nan 8.300 nan 0.000 0.486 280 H N -1.208 117.926 119.070 0.107 0.000 2.556 280 H HA 0.012 4.568 4.556 -0.000 0.000 0.268 280 H C 1.699 176.875 175.328 -0.253 0.000 0.996 280 H CA 1.006 56.989 56.048 -0.109 0.000 1.157 280 H CB -0.587 29.176 29.762 0.001 0.000 1.355 280 H HN 0.372 nan 8.280 nan 0.000 0.597 281 E N 2.383 122.302 120.200 -0.470 0.000 2.118 281 E HA -0.189 4.160 4.350 -0.000 0.000 0.195 281 E C 1.934 178.226 176.600 -0.514 0.000 0.992 281 E CA 1.521 57.634 56.400 -0.477 0.000 0.804 281 E CB -0.757 28.632 29.700 -0.519 0.000 0.741 281 E HN 0.581 nan 8.360 nan 0.000 0.458 282 F N 0.292 119.904 119.950 -0.564 0.000 2.333 282 F HA -0.050 4.477 4.527 -0.000 0.000 0.300 282 F C 1.824 177.495 175.800 -0.215 0.000 1.083 282 F CA 0.946 58.694 58.000 -0.421 0.000 1.395 282 F CB -0.618 38.247 39.000 -0.225 0.000 1.056 282 F HN -0.032 nan 8.300 nan 0.000 0.529 283 Q N 1.292 120.460 119.800 -1.054 0.000 2.046 283 Q HA -0.148 4.191 4.340 -0.000 0.000 0.200 283 Q C 1.852 177.693 176.000 -0.265 0.000 0.975 283 Q CA 1.473 56.863 55.803 -0.689 0.000 0.836 283 Q CB -0.671 27.715 28.738 -0.587 0.000 0.896 283 Q HN 0.517 nan 8.270 nan 0.000 0.428 284 N N 0.883 119.446 118.700 -0.228 0.000 2.166 284 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 284 N C 2.023 177.448 175.510 -0.141 0.000 1.019 284 N CA 0.786 53.752 53.050 -0.140 0.000 0.856 284 N CB -0.340 38.078 38.487 -0.115 0.000 0.993 284 N HN 0.216 nan 8.380 nan 0.000 0.426 285 L N 0.173 121.286 121.223 -0.182 0.000 2.046 285 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 285 L C 2.454 179.274 176.870 -0.083 0.000 1.077 285 L CA 1.274 56.031 54.840 -0.138 0.000 0.747 285 L CB -0.553 41.409 42.059 -0.161 0.000 0.896 285 L HN 0.263 nan 8.230 nan 0.000 0.432 286 H N 0.182 119.167 119.070 -0.143 0.000 2.353 286 H HA -0.199 4.357 4.556 -0.000 0.000 0.298 286 H C 2.041 177.311 175.328 -0.098 0.000 1.103 286 H CA 1.840 57.818 56.048 -0.117 0.000 1.293 286 H CB 0.028 29.720 29.762 -0.117 0.000 1.372 286 H HN 0.291 nan 8.280 nan 0.000 0.501 287 A N 0.543 123.188 122.820 -0.292 0.000 1.929 287 A HA -0.014 4.305 4.320 -0.000 0.000 0.216 287 A C 2.608 180.074 177.584 -0.198 0.000 1.176 287 A CA 1.284 53.148 52.037 -0.288 0.000 0.628 287 A CB -0.746 18.183 19.000 -0.119 0.000 0.816 287 A HN 0.473 nan 8.150 nan 0.000 0.444 288 L N -1.113 120.023 121.223 -0.144 0.000 2.027 288 L HA -0.166 4.173 4.340 -0.000 0.000 0.206 288 L C 2.555 179.360 176.870 -0.108 0.000 1.074 288 L CA 1.544 56.323 54.840 -0.102 0.000 0.745 288 L CB -0.355 41.655 42.059 -0.082 0.000 0.898 288 L HN 0.175 nan 8.230 nan 0.000 0.433 289 K N 0.306 120.624 120.400 -0.136 0.000 2.097 289 K HA -0.168 4.152 4.320 -0.000 0.000 0.205 289 K C 2.029 178.533 176.600 -0.161 0.000 1.050 289 K CA 1.159 57.364 56.287 -0.137 0.000 0.938 289 K CB -0.176 32.237 32.500 -0.144 0.000 0.718 289 K HN 0.081 nan 8.250 nan 0.000 0.442 290 K N 0.576 120.842 120.400 -0.224 0.000 2.097 290 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 290 K C 1.864 178.458 176.600 -0.010 0.000 1.049 290 K CA 1.620 57.815 56.287 -0.153 0.000 0.933 290 K CB 0.011 32.341 32.500 -0.283 0.000 0.717 290 K HN -0.005 nan 8.250 nan 0.000 0.442 291 E N 1.235 121.414 120.200 -0.035 0.000 2.150 291 E HA -0.144 4.205 4.350 -0.000 0.000 0.193 291 E C 1.475 178.091 176.600 0.026 0.000 0.985 291 E CA 1.477 57.886 56.400 0.015 0.000 0.814 291 E CB 0.103 29.798 29.700 -0.009 0.000 0.752 291 E HN 0.200 nan 8.360 nan 0.000 0.466 292 K N 0.006 120.403 120.400 -0.006 0.000 2.097 292 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 292 K C 2.186 178.813 176.600 0.044 0.000 1.050 292 K CA 1.329 57.620 56.287 0.008 0.000 0.938 292 K CB -0.159 32.327 32.500 -0.023 0.000 0.718 292 K HN 0.301 nan 8.250 nan 0.000 0.442 293 I N 1.507 122.079 120.570 0.004 0.000 2.252 293 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 293 I C 1.766 177.990 176.117 0.178 0.000 1.102 293 I CA 0.821 62.121 61.300 0.001 0.000 1.385 293 I CB -0.418 37.391 38.000 -0.317 0.000 1.064 293 I HN 0.116 nan 8.210 nan 0.000 0.414 294 N N 1.107 119.933 118.700 0.210 0.000 2.061 294 N HA -0.262 4.478 4.740 -0.000 0.000 0.193 294 N C 1.542 177.143 175.510 0.152 0.000 1.030 294 N CA 1.909 55.109 53.050 0.251 0.000 0.856 294 N CB -0.609 37.991 38.487 0.188 0.000 1.023 294 N HN 0.386 nan 8.380 nan 0.000 0.424 295 D N -0.176 120.293 120.400 0.115 0.000 2.104 295 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 295 D C 1.860 178.229 176.300 0.115 0.000 0.994 295 D CA 0.802 54.846 54.000 0.074 0.000 0.830 295 D CB -0.348 40.489 40.800 0.062 0.000 0.959 295 D HN 0.263 nan 8.370 nan 0.000 0.452 296 F N 0.502 120.494 119.950 0.071 0.000 2.134 296 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 296 F C 2.057 177.994 175.800 0.228 0.000 1.097 296 F CA 1.212 59.286 58.000 0.123 0.000 1.264 296 F CB -0.505 38.565 39.000 0.117 0.000 1.001 296 F HN -0.086 nan 8.300 nan 0.000 0.479 297 V N 1.372 121.350 119.914 0.107 0.000 2.332 297 V HA -0.312 3.807 4.120 -0.000 0.000 0.248 297 V C 2.567 178.727 176.094 0.110 0.000 1.055 297 V CA 2.332 64.745 62.300 0.189 0.000 1.038 297 V CB -0.814 31.281 31.823 0.453 0.000 0.651 297 V HN 0.311 nan 8.190 nan 0.000 0.450 298 R N 0.161 120.586 120.500 -0.126 0.000 2.083 298 R HA -0.137 4.202 4.340 -0.000 0.000 0.237 298 R C 2.499 178.701 176.300 -0.163 0.000 1.137 298 R CA 1.647 57.507 56.100 -0.401 0.000 0.951 298 R CB -0.922 29.117 30.300 -0.434 0.000 0.851 298 R HN 0.597 nan 8.270 nan 0.000 0.434 299 G N -0.453 108.288 108.800 -0.098 0.000 2.432 299 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.219 299 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.219 299 G C 1.185 176.101 174.900 0.026 0.000 1.135 299 G CA 1.064 46.142 45.100 -0.037 0.000 0.767 299 G HN 0.410 nan 8.290 nan 0.000 0.550 300 H N -0.603 118.334 119.070 -0.221 0.000 2.428 300 H HA 0.131 4.687 4.556 -0.000 0.000 0.296 300 H C 1.093 176.256 175.328 -0.276 0.000 1.062 300 H CA 0.887 56.753 56.048 -0.303 0.000 1.350 300 H CB -0.090 29.298 29.762 -0.624 0.000 1.403 300 H HN 0.353 nan 8.280 nan 0.000 0.533 301 F N 0.589 120.534 119.950 -0.009 0.000 2.639 301 F HA 0.135 4.662 4.527 -0.000 0.000 0.300 301 F C 0.249 176.028 175.800 -0.035 0.000 1.109 301 F CA -0.489 57.529 58.000 0.030 0.000 1.335 301 F CB -0.433 38.744 39.000 0.295 0.000 1.014 301 F HN 0.284 nan 8.300 nan 0.000 0.537 302 H N -1.176 117.919 119.070 0.042 0.000 3.064 302 H HA 0.356 4.912 4.556 -0.000 0.000 0.329 302 H C 1.343 176.705 175.328 0.055 0.000 1.020 302 H CA -0.004 56.055 56.048 0.017 0.000 1.402 302 H CB 0.360 30.097 29.762 -0.041 0.000 1.379 302 H HN 0.338 nan 8.280 nan 0.000 0.594 303 G N 1.537 110.413 108.800 0.127 0.000 2.212 303 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.266 303 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.266 303 G C 0.564 175.506 174.900 0.070 0.000 0.978 303 G CA 0.382 45.529 45.100 0.079 0.000 0.632 303 G HN 0.864 nan 8.290 nan 0.000 0.537 304 C N -0.162 119.212 119.300 0.123 0.000 3.144 304 C HA 0.474 4.934 4.460 -0.000 0.000 0.253 304 C C 0.086 175.273 174.990 0.328 0.000 2.010 304 C CA -1.001 58.131 59.018 0.191 0.000 1.698 304 C CB -1.084 26.761 27.740 0.175 0.000 3.346 304 C HN 0.450 nan 8.230 nan 0.000 0.449 305 F N 4.138 124.133 119.950 0.075 0.000 2.406 305 F HA 0.374 4.900 4.527 -0.000 0.000 0.358 305 F C 0.709 176.449 175.800 -0.099 0.000 1.161 305 F CA -0.702 57.261 58.000 -0.062 0.000 1.185 305 F CB 0.309 39.244 39.000 -0.108 0.000 1.421 305 F HN 0.396 nan 8.300 nan 0.000 0.576 306 D N 3.941 124.154 120.400 -0.311 0.000 2.513 306 D HA 0.097 4.737 4.640 -0.000 0.000 0.222 306 D C -0.293 175.866 176.300 -0.234 0.000 1.210 306 D CA -0.063 53.803 54.000 -0.224 0.000 0.825 306 D CB -0.930 39.864 40.800 -0.011 0.000 1.037 306 D HN 0.243 nan 8.370 nan 0.000 0.506 307 F N -0.634 118.958 119.950 -0.598 0.000 2.618 307 F HA 0.685 5.212 4.527 -0.000 0.000 0.332 307 F C -0.491 174.988 175.800 -0.535 0.000 1.061 307 F CA -1.572 56.157 58.000 -0.451 0.000 0.974 307 F CB 1.058 39.866 39.000 -0.319 0.000 1.310 307 F HN -0.319 nan 8.300 nan 0.000 0.491 308 D N 1.432 121.743 120.400 -0.148 0.000 2.329 308 D HA 0.279 4.918 4.640 -0.000 0.000 0.232 308 D C 0.622 176.928 176.300 0.010 0.000 1.088 308 D CA -0.362 53.559 54.000 -0.133 0.000 0.835 308 D CB 1.295 42.052 40.800 -0.071 0.000 1.078 308 D HN 0.705 nan 8.370 nan 0.000 0.495 309 L N 2.527 123.779 121.223 0.048 0.000 2.353 309 L HA -0.062 4.278 4.340 -0.000 0.000 0.220 309 L C 1.366 178.284 176.870 0.081 0.000 1.133 309 L CA 0.669 55.594 54.840 0.141 0.000 0.798 309 L CB -0.035 42.157 42.059 0.221 0.000 0.922 309 L HN 0.487 nan 8.230 nan 0.000 0.445 310 D N -0.033 120.395 120.400 0.047 0.000 2.363 310 D HA -0.088 4.551 4.640 -0.000 0.000 0.226 310 D C 0.771 177.068 176.300 -0.005 0.000 1.020 310 D CA 0.670 54.686 54.000 0.026 0.000 0.892 310 D CB 0.168 40.978 40.800 0.017 0.000 0.900 310 D HN 0.219 nan 8.370 nan 0.000 0.531 311 N N -0.291 118.401 118.700 -0.013 0.000 2.387 311 N HA -0.003 4.737 4.740 -0.000 0.000 0.259 311 N C -1.173 174.296 175.510 -0.069 0.000 1.369 311 N CA -0.107 52.915 53.050 -0.047 0.000 0.867 311 N CB 0.834 39.298 38.487 -0.039 0.000 1.341 311 N HN -0.107 nan 8.380 nan 0.000 0.495 312 T N -1.567 112.940 114.554 -0.078 0.000 2.856 312 T HA 0.665 5.015 4.350 -0.000 0.000 0.283 312 T C -0.283 174.229 174.700 -0.313 0.000 1.008 312 T CA -0.710 61.302 62.100 -0.147 0.000 0.997 312 T CB 1.565 70.426 68.868 -0.011 0.000 0.992 312 T HN -0.046 nan 8.240 nan 0.000 0.454 313 L N 2.129 123.166 121.223 -0.310 0.000 2.334 313 L HA 0.558 4.898 4.340 -0.000 0.000 0.273 313 L C -1.090 175.796 176.870 0.027 0.000 1.013 313 L CA -1.368 53.332 54.840 -0.234 0.000 0.816 313 L CB 1.538 43.571 42.059 -0.043 0.000 1.278 313 L HN 0.656 nan 8.230 nan 0.000 0.431 314 Y N 1.630 122.393 120.300 0.772 0.000 2.334 314 Y HA 0.489 5.039 4.550 -0.000 0.000 0.336 314 Y C -0.327 176.080 175.900 0.844 0.000 0.960 314 Y CA -0.859 57.637 58.100 0.660 0.000 1.164 314 Y CB 0.802 39.585 38.460 0.538 0.000 1.155 314 Y HN 0.184 nan 8.280 nan 0.000 0.478 315 F N 4.540 124.837 119.950 0.577 0.000 2.432 315 F HA 0.610 5.137 4.527 -0.000 0.000 0.329 315 F C -0.219 175.975 175.800 0.656 0.000 1.076 315 F CA -2.124 56.144 58.000 0.447 0.000 1.018 315 F CB 1.182 40.380 39.000 0.330 0.000 1.201 315 F HN 0.332 nan 8.300 nan 0.000 0.489 316 F N 1.552 121.733 119.950 0.386 0.000 2.631 316 F HA 0.761 5.288 4.527 -0.000 0.000 0.308 316 F C -1.868 173.832 175.800 -0.167 0.000 1.097 316 F CA -1.484 56.710 58.000 0.324 0.000 0.952 316 F CB 1.269 40.568 39.000 0.499 0.000 1.307 316 F HN 0.395 nan 8.300 nan 0.000 0.450 317 I N 2.388 122.786 120.570 -0.287 0.000 2.646 317 I HA 0.913 5.082 4.170 -0.000 0.000 0.299 317 I C -1.266 174.974 176.117 0.205 0.000 1.036 317 I CA -0.818 60.213 61.300 -0.448 0.000 1.074 317 I CB 1.754 39.252 38.000 -0.836 0.000 1.258 317 I HN 1.136 nan 8.210 nan 0.000 0.430 318 A N 4.390 127.435 122.820 0.375 0.000 2.587 318 A HA 0.988 5.308 4.320 -0.000 0.000 0.293 318 A C -0.517 177.213 177.584 0.242 0.000 1.087 318 A CA 0.046 52.326 52.037 0.406 0.000 0.692 318 A CB 1.580 20.989 19.000 0.682 0.000 1.291 318 A HN 1.319 nan 8.150 nan 0.000 0.407 319 G N -0.056 108.870 108.800 0.211 0.000 2.369 319 G HA2 0.372 4.332 3.960 -0.000 0.000 0.293 319 G HA3 0.372 4.332 3.960 -0.000 0.000 0.293 319 G C -0.920 174.109 174.900 0.215 0.000 1.301 319 G CA -0.906 44.312 45.100 0.197 0.000 0.913 319 G HN 0.805 nan 8.290 nan 0.000 0.540 320 R N -1.017 119.624 120.500 0.234 0.000 2.734 320 R HA 0.201 4.541 4.340 -0.000 0.000 0.266 320 R C -0.282 176.152 176.300 0.223 0.000 1.044 320 R CA -0.410 55.820 56.100 0.218 0.000 1.128 320 R CB 0.155 30.588 30.300 0.223 0.000 1.010 320 R HN 0.482 nan 8.270 nan 0.000 0.461 321 Y N 3.256 123.597 120.300 0.068 0.000 2.601 321 Y HA -0.036 4.514 4.550 -0.000 0.000 0.350 321 Y C -0.556 175.404 175.900 0.101 0.000 1.230 321 Y CA 0.135 58.289 58.100 0.089 0.000 1.733 321 Y CB -0.239 38.264 38.460 0.072 0.000 1.497 321 Y HN 0.447 nan 8.280 nan 0.000 0.472 322 E N 5.534 125.983 120.200 0.415 0.000 2.731 322 E HA -0.042 4.308 4.350 -0.000 0.000 0.248 322 E C 0.091 176.863 176.600 0.287 0.000 1.084 322 E CA -0.356 56.210 56.400 0.276 0.000 0.776 322 E CB 0.490 30.299 29.700 0.181 0.000 1.404 322 E HN 0.755 nan 8.360 nan 0.000 0.395 323 Y N 3.423 123.854 120.300 0.218 0.000 2.114 323 Y HA -0.323 4.227 4.550 -0.000 0.000 0.282 323 Y C 1.842 177.808 175.900 0.110 0.000 1.165 323 Y CA 1.835 60.044 58.100 0.183 0.000 1.148 323 Y CB 0.391 38.950 38.460 0.165 0.000 0.972 323 Y HN 0.165 nan 8.280 nan 0.000 0.504 324 K N -0.350 120.114 120.400 0.108 0.000 2.099 324 K HA -0.013 4.307 4.320 -0.000 0.000 0.203 324 K C 1.654 178.289 176.600 0.059 0.000 1.047 324 K CA 0.915 57.205 56.287 0.005 0.000 0.963 324 K CB -0.604 31.935 32.500 0.065 0.000 0.759 324 K HN 0.298 nan 8.250 nan 0.000 0.451 325 N N 1.132 119.903 118.700 0.120 0.000 2.309 325 N HA -0.085 4.654 4.740 -0.000 0.000 0.182 325 N C 1.229 176.837 175.510 0.164 0.000 1.018 325 N CA 0.927 54.090 53.050 0.188 0.000 0.876 325 N CB 0.134 38.728 38.487 0.178 0.000 0.972 325 N HN 0.021 nan 8.380 nan 0.000 0.434 326 K N -0.566 119.900 120.400 0.110 0.000 2.358 326 K HA 0.240 4.559 4.320 -0.000 0.000 0.197 326 K C 0.679 177.299 176.600 0.034 0.000 1.025 326 K CA 0.138 56.469 56.287 0.073 0.000 1.104 326 K CB 0.337 32.885 32.500 0.081 0.000 0.855 326 K HN 0.201 nan 8.250 nan 0.000 0.531 327 G N 1.089 109.891 108.800 0.004 0.000 2.136 327 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.242 327 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.242 327 G C 1.086 175.946 174.900 -0.067 0.000 0.989 327 G CA 0.679 45.759 45.100 -0.033 0.000 0.682 327 G HN 0.341 nan 8.290 nan 0.000 0.522 328 A N 1.228 123.979 122.820 -0.115 0.000 1.892 328 A HA -0.098 4.221 4.320 -0.000 0.000 0.218 328 A C 2.309 179.793 177.584 -0.167 0.000 1.188 328 A CA 2.510 54.499 52.037 -0.081 0.000 0.631 328 A CB -0.498 18.471 19.000 -0.051 0.000 0.822 328 A HN 1.007 nan 8.150 nan 0.000 0.447 329 D N -0.569 119.478 120.400 -0.588 0.000 2.149 329 D HA -0.241 4.399 4.640 -0.000 0.000 0.198 329 D C 1.881 178.085 176.300 -0.159 0.000 0.990 329 D CA 1.763 55.462 54.000 -0.502 0.000 0.839 329 D CB -0.627 39.718 40.800 -0.758 0.000 0.948 329 D HN 0.528 nan 8.370 nan 0.000 0.460 330 M N -1.274 118.260 119.600 -0.111 0.000 2.349 330 M HA -0.007 4.473 4.480 -0.000 0.000 0.266 330 M C 1.838 178.165 176.300 0.044 0.000 1.076 330 M CA 0.625 55.908 55.300 -0.027 0.000 1.126 330 M CB -0.080 32.513 32.600 -0.012 0.000 1.392 330 M HN -0.048 nan 8.290 nan 0.000 0.440 331 F N 1.302 121.197 119.950 -0.091 0.000 2.075 331 F HA -0.169 4.358 4.527 -0.000 0.000 0.297 331 F C 1.755 177.530 175.800 -0.041 0.000 1.113 331 F CA 1.727 59.688 58.000 -0.064 0.000 1.218 331 F CB -0.464 38.494 39.000 -0.071 0.000 0.984 331 F HN 0.050 nan 8.300 nan 0.000 0.472 332 I N 0.043 120.544 120.570 -0.114 0.000 2.286 332 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 332 I C 2.344 178.364 176.117 -0.162 0.000 1.115 332 I CA 1.623 62.804 61.300 -0.199 0.000 1.392 332 I CB -0.545 37.414 38.000 -0.067 0.000 1.065 332 I HN 0.177 nan 8.210 nan 0.000 0.418 333 E N 1.692 121.835 120.200 -0.095 0.000 2.028 333 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 333 E C 2.163 178.712 176.600 -0.084 0.000 0.988 333 E CA 1.802 58.158 56.400 -0.073 0.000 0.799 333 E CB -0.240 29.434 29.700 -0.044 0.000 0.755 333 E HN 0.375 nan 8.360 nan 0.000 0.447 334 A N 0.590 123.360 122.820 -0.084 0.000 1.940 334 A HA -0.141 4.178 4.320 -0.000 0.000 0.219 334 A C 2.373 179.899 177.584 -0.096 0.000 1.176 334 A CA 1.537 53.534 52.037 -0.067 0.000 0.631 334 A CB -0.809 18.171 19.000 -0.032 0.000 0.814 334 A HN 0.361 nan 8.150 nan 0.000 0.446 335 L N -0.901 120.204 121.223 -0.196 0.000 2.046 335 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 335 L C 3.101 179.890 176.870 -0.135 0.000 1.077 335 L CA 1.060 55.771 54.840 -0.216 0.000 0.747 335 L CB -0.513 41.303 42.059 -0.405 0.000 0.896 335 L HN 0.442 nan 8.230 nan 0.000 0.432 336 A N -0.041 122.705 122.820 -0.123 0.000 1.933 336 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 336 A C 2.354 179.924 177.584 -0.023 0.000 1.175 336 A CA 1.618 53.611 52.037 -0.074 0.000 0.628 336 A CB -0.425 18.530 19.000 -0.076 0.000 0.814 336 A HN 0.298 nan 8.150 nan 0.000 0.444 337 R N -1.315 119.168 120.500 -0.028 0.000 2.090 337 R HA 0.005 4.345 4.340 -0.000 0.000 0.228 337 R C 2.062 178.396 176.300 0.056 0.000 1.110 337 R CA 1.115 57.221 56.100 0.010 0.000 0.973 337 R CB -0.437 29.853 30.300 -0.017 0.000 0.869 337 R HN 0.485 nan 8.270 nan 0.000 0.440 338 L N 1.350 122.582 121.223 0.014 0.000 2.012 338 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 338 L C 1.780 178.655 176.870 0.008 0.000 1.073 338 L CA 1.886 56.736 54.840 0.016 0.000 0.748 338 L CB -0.777 41.282 42.059 -0.001 0.000 0.891 338 L HN 0.129 nan 8.230 nan 0.000 0.431 339 N N -1.201 117.492 118.700 -0.010 0.000 2.037 339 N HA -0.353 4.387 4.740 -0.000 0.000 0.196 339 N C 1.990 177.514 175.510 0.023 0.000 1.034 339 N CA 2.244 55.285 53.050 -0.016 0.000 0.861 339 N CB -0.654 37.823 38.487 -0.017 0.000 1.039 339 N HN 0.577 nan 8.380 nan 0.000 0.427 340 Y N 1.135 121.409 120.300 -0.043 0.000 2.128 340 Y HA -0.139 4.411 4.550 -0.000 0.000 0.284 340 Y C 2.356 178.240 175.900 -0.028 0.000 1.154 340 Y CA 1.829 59.911 58.100 -0.030 0.000 1.149 340 Y CB -0.211 38.234 38.460 -0.025 0.000 0.976 340 Y HN 0.073 nan 8.280 nan 0.000 0.505 341 R N -0.193 120.343 120.500 0.062 0.000 2.081 341 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 341 R C 2.261 178.507 176.300 -0.090 0.000 1.131 341 R CA 1.800 57.891 56.100 -0.015 0.000 0.960 341 R CB -0.563 29.766 30.300 0.049 0.000 0.856 341 R HN 0.408 nan 8.270 nan 0.000 0.436 342 L N 0.724 121.903 121.223 -0.075 0.000 2.093 342 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 342 L C 2.401 179.202 176.870 -0.116 0.000 1.085 342 L CA 1.299 56.088 54.840 -0.085 0.000 0.755 342 L CB -0.400 41.611 42.059 -0.081 0.000 0.904 342 L HN 0.132 nan 8.230 nan 0.000 0.435 343 K N -0.084 120.226 120.400 -0.150 0.000 2.026 343 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 343 K C 2.090 178.571 176.600 -0.198 0.000 1.048 343 K CA 1.300 57.486 56.287 -0.167 0.000 0.929 343 K CB -0.371 32.018 32.500 -0.185 0.000 0.713 343 K HN 0.134 nan 8.250 nan 0.000 0.439 344 V N 1.895 121.634 119.914 -0.293 0.000 2.261 344 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 344 V C 2.511 178.518 176.094 -0.144 0.000 1.047 344 V CA 2.273 64.416 62.300 -0.262 0.000 1.015 344 V CB -0.655 30.960 31.823 -0.347 0.000 0.642 344 V HN 0.451 nan 8.190 nan 0.000 0.446 345 S N 0.400 116.031 115.700 -0.116 0.000 2.507 345 S HA 0.065 4.535 4.470 -0.000 0.000 0.235 345 S C 1.614 176.174 174.600 -0.067 0.000 0.988 345 S CA 0.869 59.025 58.200 -0.072 0.000 0.944 345 S CB -0.260 62.908 63.200 -0.053 0.000 0.762 345 S HN 1.453 nan 8.310 nan 0.000 0.526 346 G N 0.973 109.725 108.800 -0.081 0.000 2.225 346 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.264 346 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.264 346 G C -0.029 174.834 174.900 -0.062 0.000 1.060 346 G CA 0.349 45.407 45.100 -0.069 0.000 0.833 346 G HN 1.013 nan 8.290 nan 0.000 0.498 347 S N -1.124 114.536 115.700 -0.067 0.000 2.549 347 S HA 0.422 4.892 4.470 -0.000 0.000 0.283 347 S C 1.510 176.069 174.600 -0.068 0.000 1.320 347 S CA 0.387 58.549 58.200 -0.063 0.000 1.058 347 S CB 0.747 63.909 63.200 -0.064 0.000 0.882 347 S HN 0.372 nan 8.310 nan 0.000 0.498 348 K N 2.215 122.578 120.400 -0.062 0.000 2.426 348 K HA 0.195 4.515 4.320 -0.000 0.000 0.193 348 K C 0.371 176.927 176.600 -0.073 0.000 1.028 348 K CA 0.202 56.452 56.287 -0.062 0.000 1.047 348 K CB 0.096 32.565 32.500 -0.051 0.000 0.821 348 K HN 0.376 nan 8.250 nan 0.000 0.513 349 K N 0.538 120.888 120.400 -0.084 0.000 2.258 349 K HA 0.137 4.456 4.320 -0.000 0.000 0.264 349 K C -0.605 175.910 176.600 -0.141 0.000 1.007 349 K CA 0.403 56.628 56.287 -0.103 0.000 0.941 349 K CB 0.937 33.377 32.500 -0.100 0.000 0.966 349 K HN -0.160 nan 8.250 nan 0.000 0.480 350 T N 1.297 115.746 114.554 -0.176 0.000 2.886 350 T HA 0.439 4.789 4.350 -0.000 0.000 0.292 350 T C -1.275 173.242 174.700 -0.305 0.000 1.012 350 T CA -0.738 61.195 62.100 -0.277 0.000 0.982 350 T CB 1.427 70.060 68.868 -0.392 0.000 1.018 350 T HN 0.167 nan 8.240 nan 0.000 0.451 351 V N 3.452 123.157 119.914 -0.348 0.000 2.384 351 V HA 0.436 4.555 4.120 -0.000 0.000 0.287 351 V C -0.297 175.637 176.094 -0.268 0.000 1.020 351 V CA -0.708 61.361 62.300 -0.386 0.000 0.850 351 V CB 1.767 33.237 31.823 -0.587 0.000 0.987 351 V HN 0.739 nan 8.190 nan 0.000 0.436 352 V N 4.878 124.750 119.914 -0.070 0.000 2.333 352 V HA 0.661 4.781 4.120 -0.000 0.000 0.274 352 V C 0.515 176.682 176.094 0.122 0.000 1.028 352 V CA -0.452 61.891 62.300 0.072 0.000 0.851 352 V CB 1.335 33.365 31.823 0.345 0.000 1.000 352 V HN 0.935 nan 8.190 nan 0.000 0.456 353 A N 5.795 128.619 122.820 0.006 0.000 2.276 353 A HA 0.845 5.165 4.320 -0.000 0.000 0.316 353 A C -0.836 176.844 177.584 0.161 0.000 1.229 353 A CA -0.299 51.869 52.037 0.219 0.000 0.851 353 A CB 0.278 19.373 19.000 0.158 0.000 1.165 353 A HN 0.621 nan 8.150 nan 0.000 0.513 354 F N 1.745 122.025 119.950 0.551 0.000 2.421 354 F HA 0.539 5.065 4.527 -0.000 0.000 0.337 354 F C 0.281 176.373 175.800 0.487 0.000 1.105 354 F CA -0.374 57.922 58.000 0.494 0.000 1.049 354 F CB 1.744 41.071 39.000 0.545 0.000 1.139 354 F HN 0.334 nan 8.300 nan 0.000 0.479 355 I N 4.149 125.068 120.570 0.582 0.000 2.390 355 I HA 0.283 4.453 4.170 -0.000 0.000 0.283 355 I C -1.039 175.360 176.117 0.471 0.000 1.016 355 I CA -0.692 60.884 61.300 0.460 0.000 1.151 355 I CB 1.417 39.617 38.000 0.333 0.000 1.293 355 I HN 0.217 nan 8.210 nan 0.000 0.458 356 V N 7.711 127.841 119.914 0.359 0.000 2.259 356 V HA 0.436 4.555 4.120 -0.000 0.000 0.267 356 V C 0.035 176.223 176.094 0.156 0.000 1.051 356 V CA -0.128 62.323 62.300 0.253 0.000 0.830 356 V CB 0.446 32.395 31.823 0.211 0.000 1.080 356 V HN 0.673 nan 8.190 nan 0.000 0.467 357 M N 6.006 125.662 119.600 0.095 0.000 2.165 357 M HA 0.429 4.909 4.480 -0.000 0.000 0.283 357 M C -2.971 173.209 176.300 -0.200 0.000 0.978 357 M CA -1.612 53.653 55.300 -0.059 0.000 0.948 357 M CB 3.281 35.820 32.600 -0.102 0.000 1.599 357 M HN 0.198 nan 8.290 nan 0.000 0.450 358 P HA 0.256 nan 4.420 nan 0.000 0.267 358 P C -1.124 176.129 177.300 -0.079 0.000 1.205 358 P CA 0.069 62.914 63.100 -0.426 0.000 0.765 358 P CB 0.701 31.987 31.700 -0.690 0.000 0.828 359 A N 3.093 125.856 122.820 -0.094 0.000 2.532 359 A HA 0.590 4.909 4.320 -0.000 0.000 0.290 359 A C -0.804 176.757 177.584 -0.038 0.000 1.143 359 A CA -0.785 51.317 52.037 0.109 0.000 0.728 359 A CB 1.062 20.251 19.000 0.315 0.000 1.317 359 A HN 0.228 nan 8.150 nan 0.000 0.414 360 K N 1.976 122.381 120.400 0.008 0.000 2.419 360 K HA 0.164 4.483 4.320 -0.000 0.000 0.282 360 K C -0.445 176.127 176.600 -0.047 0.000 1.056 360 K CA 0.425 56.697 56.287 -0.024 0.000 1.035 360 K CB -0.526 31.973 32.500 -0.002 0.000 0.921 360 K HN 0.808 nan 8.250 nan 0.000 0.472 361 N N 0.312 118.962 118.700 -0.084 0.000 2.357 361 N HA 0.239 4.979 4.740 -0.000 0.000 0.284 361 N C -0.565 174.912 175.510 -0.054 0.000 1.236 361 N CA -0.825 52.174 53.050 -0.085 0.000 0.774 361 N CB 0.848 39.227 38.487 -0.181 0.000 1.534 361 N HN 0.100 nan 8.380 nan 0.000 0.478 362 N N 0.544 119.226 118.700 -0.029 0.000 2.451 362 N HA 0.170 4.910 4.740 -0.000 0.000 0.264 362 N C -0.735 174.758 175.510 -0.028 0.000 1.167 362 N CA 0.159 53.197 53.050 -0.019 0.000 0.898 362 N CB -0.220 38.266 38.487 -0.003 0.000 1.176 362 N HN 0.696 nan 8.380 nan 0.000 0.507 363 S N -0.359 115.307 115.700 -0.056 0.000 3.845 363 S HA -0.217 4.253 4.470 -0.000 0.000 0.641 363 S C -0.345 174.072 174.600 -0.304 0.000 1.900 363 S CA -0.400 57.701 58.200 -0.165 0.000 2.062 363 S CB -0.957 62.208 63.200 -0.058 0.000 0.327 363 S HN 0.248 nan 8.310 nan 0.000 1.788 364 F N 2.302 122.068 119.950 -0.307 0.000 2.545 364 F HA 0.340 4.866 4.527 -0.000 0.000 0.348 364 F C 1.661 177.360 175.800 -0.168 0.000 1.163 364 F CA 0.508 58.246 58.000 -0.437 0.000 1.331 364 F CB 0.085 38.888 39.000 -0.329 0.000 1.138 364 F HN 0.631 nan 8.300 nan 0.000 0.602 365 T N -1.070 113.524 114.554 0.066 0.000 2.898 365 T HA 0.159 4.509 4.350 -0.000 0.000 0.301 365 T C 1.093 175.837 174.700 0.074 0.000 1.049 365 T CA -0.942 61.198 62.100 0.067 0.000 1.095 365 T CB 1.142 70.052 68.868 0.071 0.000 0.976 365 T HN 0.390 nan 8.240 nan 0.000 0.539 366 V N 1.558 121.502 119.914 0.051 0.000 2.332 366 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 366 V C 2.862 178.974 176.094 0.031 0.000 1.055 366 V CA 2.417 64.738 62.300 0.036 0.000 1.038 366 V CB -1.090 30.748 31.823 0.025 0.000 0.651 366 V HN 1.040 nan 8.190 nan 0.000 0.450 367 E N 0.771 120.995 120.200 0.040 0.000 2.070 367 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 367 E C 2.144 178.774 176.600 0.051 0.000 1.004 367 E CA 1.970 58.397 56.400 0.046 0.000 0.805 367 E CB -0.588 29.138 29.700 0.044 0.000 0.744 367 E HN 0.532 nan 8.360 nan 0.000 0.451 368 A N 0.125 122.989 122.820 0.073 0.000 1.877 368 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 368 A C 2.376 179.985 177.584 0.041 0.000 1.186 368 A CA 1.668 53.769 52.037 0.106 0.000 0.620 368 A CB -0.792 18.323 19.000 0.193 0.000 0.822 368 A HN 0.330 nan 8.150 nan 0.000 0.443 369 L N -1.025 120.195 121.223 -0.005 0.000 2.056 369 L HA -0.128 4.211 4.340 -0.000 0.000 0.207 369 L C 2.575 179.415 176.870 -0.050 0.000 1.078 369 L CA 1.775 56.580 54.840 -0.058 0.000 0.749 369 L CB -0.343 41.678 42.059 -0.064 0.000 0.901 369 L HN 0.350 nan 8.230 nan 0.000 0.433 370 K N 0.044 120.420 120.400 -0.040 0.000 2.057 370 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 370 K C 2.096 178.619 176.600 -0.129 0.000 1.049 370 K CA 1.299 57.546 56.287 -0.066 0.000 0.931 370 K CB -0.342 32.130 32.500 -0.046 0.000 0.714 370 K HN 0.333 nan 8.250 nan 0.000 0.440 371 G N 0.573 109.290 108.800 -0.138 0.000 2.422 371 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 371 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 371 G C 1.381 176.178 174.900 -0.171 0.000 1.146 371 G CA 0.348 45.280 45.100 -0.280 0.000 0.769 371 G HN 0.283 nan 8.290 nan 0.000 0.547 372 Q N 0.520 120.273 119.800 -0.078 0.000 2.050 372 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 372 Q C 2.845 178.804 176.000 -0.068 0.000 0.980 372 Q CA 1.722 57.495 55.803 -0.049 0.000 0.840 372 Q CB -0.395 28.333 28.738 -0.017 0.000 0.898 372 Q HN 0.390 nan 8.270 nan 0.000 0.424 373 A N 0.649 123.422 122.820 -0.077 0.000 1.930 373 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 373 A C 1.860 179.394 177.584 -0.082 0.000 1.175 373 A CA 1.541 53.536 52.037 -0.071 0.000 0.627 373 A CB -0.419 18.543 19.000 -0.064 0.000 0.815 373 A HN 0.504 nan 8.150 nan 0.000 0.443 374 E N -0.447 119.681 120.200 -0.121 0.000 2.077 374 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 374 E C 1.944 178.481 176.600 -0.106 0.000 0.989 374 E CA 1.285 57.606 56.400 -0.131 0.000 0.800 374 E CB -0.250 29.317 29.700 -0.221 0.000 0.746 374 E HN 0.363 nan 8.360 nan 0.000 0.452 375 V N 0.915 120.762 119.914 -0.111 0.000 2.407 375 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 375 V C 2.334 178.395 176.094 -0.056 0.000 1.055 375 V CA 1.869 64.121 62.300 -0.079 0.000 1.049 375 V CB -0.373 31.403 31.823 -0.079 0.000 0.662 375 V HN 0.120 nan 8.190 nan 0.000 0.455 376 R N 0.203 120.671 120.500 -0.052 0.000 2.115 376 R HA -0.068 4.272 4.340 -0.000 0.000 0.230 376 R C 2.213 178.493 176.300 -0.034 0.000 1.111 376 R CA 1.499 57.575 56.100 -0.040 0.000 0.976 376 R CB -0.560 29.716 30.300 -0.040 0.000 0.870 376 R HN 0.501 nan 8.270 nan 0.000 0.445 377 A N 0.457 123.254 122.820 -0.038 0.000 1.898 377 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 377 A C 1.957 179.530 177.584 -0.019 0.000 1.181 377 A CA 1.264 53.284 52.037 -0.029 0.000 0.620 377 A CB -0.658 18.322 19.000 -0.034 0.000 0.819 377 A HN 0.357 nan 8.150 nan 0.000 0.442 378 L N 0.413 121.621 121.223 -0.024 0.000 2.012 378 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 378 L C 2.137 179.006 176.870 -0.001 0.000 1.073 378 L CA 2.575 57.407 54.840 -0.013 0.000 0.748 378 L CB -0.812 41.235 42.059 -0.020 0.000 0.891 378 L HN 0.547 nan 8.230 nan 0.000 0.431 379 E N -0.588 119.607 120.200 -0.007 0.000 2.077 379 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 379 E C 1.897 178.513 176.600 0.027 0.000 0.989 379 E CA 1.312 57.715 56.400 0.005 0.000 0.800 379 E CB -0.245 29.448 29.700 -0.012 0.000 0.746 379 E HN 0.559 nan 8.360 nan 0.000 0.452 380 N N 0.196 118.905 118.700 0.014 0.000 2.120 380 N HA -0.101 4.638 4.740 -0.000 0.000 0.188 380 N C 1.842 177.389 175.510 0.062 0.000 1.024 380 N CA 1.348 54.418 53.050 0.033 0.000 0.852 380 N CB -0.596 37.895 38.487 0.007 0.000 1.003 380 N HN 0.080 nan 8.380 nan 0.000 0.424 381 T N 0.755 115.330 114.554 0.035 0.000 2.777 381 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 381 T C 2.121 176.842 174.700 0.035 0.000 1.040 381 T CA 0.661 62.778 62.100 0.029 0.000 1.141 381 T CB -0.238 68.638 68.868 0.013 0.000 0.868 381 T HN -0.029 nan 8.240 nan 0.000 0.444 382 V N 0.922 120.861 119.914 0.041 0.000 2.407 382 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 382 V C 2.251 178.377 176.094 0.055 0.000 1.055 382 V CA 1.984 64.308 62.300 0.039 0.000 1.049 382 V CB -0.631 31.215 31.823 0.038 0.000 0.662 382 V HN 0.568 nan 8.190 nan 0.000 0.455 383 H N 0.432 119.497 119.070 -0.008 0.000 2.357 383 H HA -0.138 4.418 4.556 -0.000 0.000 0.301 383 H C 2.292 177.615 175.328 -0.008 0.000 1.082 383 H CA 2.146 58.189 56.048 -0.008 0.000 1.342 383 H CB 0.050 29.805 29.762 -0.010 0.000 1.389 383 H HN 0.507 nan 8.280 nan 0.000 0.511 384 E N -0.530 119.682 120.200 0.019 0.000 2.077 384 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 384 E C 2.366 178.925 176.600 -0.068 0.000 0.989 384 E CA 1.365 57.745 56.400 -0.033 0.000 0.800 384 E CB 0.022 29.731 29.700 0.017 0.000 0.746 384 E HN 0.285 nan 8.360 nan 0.000 0.452 385 V N 1.397 121.286 119.914 -0.041 0.000 2.343 385 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 385 V C 2.708 178.766 176.094 -0.060 0.000 1.051 385 V CA 2.194 64.472 62.300 -0.037 0.000 1.036 385 V CB -0.965 30.849 31.823 -0.016 0.000 0.654 385 V HN 0.527 nan 8.190 nan 0.000 0.451 386 T N -2.959 111.543 114.554 -0.088 0.000 2.788 386 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 386 T C 1.789 176.408 174.700 -0.135 0.000 1.044 386 T CA 1.969 64.009 62.100 -0.099 0.000 1.139 386 T CB -0.742 68.068 68.868 -0.096 0.000 0.867 386 T HN 0.442 nan 8.240 nan 0.000 0.454 387 T N 2.088 116.513 114.554 -0.214 0.000 2.746 387 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 387 T C 2.398 177.041 174.700 -0.094 0.000 1.039 387 T CA 1.609 63.597 62.100 -0.187 0.000 1.142 387 T CB -0.569 68.165 68.868 -0.223 0.000 0.866 387 T HN 0.491 nan 8.240 nan 0.000 0.444 388 S N 1.079 116.737 115.700 -0.070 0.000 2.355 388 S HA 0.048 4.518 4.470 -0.000 0.000 0.222 388 S C 2.066 176.658 174.600 -0.014 0.000 1.031 388 S CA 0.778 58.959 58.200 -0.032 0.000 0.993 388 S CB -0.398 62.788 63.200 -0.022 0.000 0.859 388 S HN 0.415 nan 8.310 nan 0.000 0.453 389 I N 1.702 122.259 120.570 -0.021 0.000 2.264 389 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 389 I C 2.666 178.788 176.117 0.007 0.000 1.111 389 I CA 1.177 62.473 61.300 -0.006 0.000 1.382 389 I CB -0.906 37.085 38.000 -0.016 0.000 1.060 389 I HN 0.376 nan 8.210 nan 0.000 0.418 390 G N 1.002 109.797 108.800 -0.008 0.000 2.446 390 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 390 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 390 G C 1.700 176.637 174.900 0.060 0.000 1.168 390 G CA 0.536 45.642 45.100 0.011 0.000 0.771 390 G HN 0.174 nan 8.290 nan 0.000 0.551 391 K N 0.560 120.981 120.400 0.036 0.000 2.103 391 K HA -0.028 4.292 4.320 -0.000 0.000 0.207 391 K C 2.534 179.223 176.600 0.148 0.000 1.048 391 K CA 0.829 57.164 56.287 0.080 0.000 0.930 391 K CB -0.324 32.196 32.500 0.035 0.000 0.716 391 K HN 0.319 nan 8.250 nan 0.000 0.444 392 R N 0.121 120.681 120.500 0.100 0.000 2.093 392 R HA 0.133 4.473 4.340 -0.000 0.000 0.224 392 R C 2.473 178.848 176.300 0.125 0.000 1.101 392 R CA 0.644 56.806 56.100 0.104 0.000 0.979 392 R CB -0.204 30.136 30.300 0.066 0.000 0.877 392 R HN 0.124 nan 8.270 nan 0.000 0.441 393 I N 0.054 120.687 120.570 0.104 0.000 2.252 393 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 393 I C 2.106 178.309 176.117 0.143 0.000 1.102 393 I CA 1.163 62.513 61.300 0.082 0.000 1.385 393 I CB -0.193 37.834 38.000 0.045 0.000 1.064 393 I HN 0.080 nan 8.210 nan 0.000 0.414 394 F N 2.016 121.990 119.950 0.040 0.000 2.102 394 F HA -0.281 4.246 4.527 -0.000 0.000 0.298 394 F C 2.131 177.974 175.800 0.072 0.000 1.105 394 F CA 2.195 60.222 58.000 0.046 0.000 1.239 394 F CB -0.324 38.692 39.000 0.027 0.000 0.991 394 F HN 0.080 nan 8.300 nan 0.000 0.474 395 D N -0.944 119.554 120.400 0.163 0.000 2.104 395 D HA -0.292 4.348 4.640 -0.000 0.000 0.194 395 D C 2.439 178.741 176.300 0.003 0.000 0.994 395 D CA 1.760 55.794 54.000 0.056 0.000 0.830 395 D CB -0.464 40.409 40.800 0.121 0.000 0.959 395 D HN 0.383 nan 8.370 nan 0.000 0.452 396 H N -0.069 118.991 119.070 -0.017 0.000 2.319 396 H HA -0.145 4.411 4.556 -0.001 0.000 0.297 396 H C 1.873 177.184 175.328 -0.029 0.000 1.097 396 H CA 2.037 58.082 56.048 -0.005 0.000 1.285 396 H CB -0.412 29.352 29.762 0.004 0.000 1.368 396 H HN 0.269 nan 8.280 nan 0.000 0.495 397 A N 0.463 123.346 122.820 0.105 0.000 1.929 397 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 397 A C 2.542 180.082 177.584 -0.074 0.000 1.176 397 A CA 1.265 53.312 52.037 0.017 0.000 0.628 397 A CB -0.621 18.342 19.000 -0.061 0.000 0.816 397 A HN 0.423 nan 8.150 nan 0.000 0.444 398 I N -1.049 119.365 120.570 -0.259 0.000 2.761 398 I HA -0.030 4.139 4.170 -0.000 0.000 0.261 398 I C 2.214 178.287 176.117 -0.075 0.000 1.198 398 I CA 1.089 62.235 61.300 -0.255 0.000 1.482 398 I CB -0.121 37.572 38.000 -0.512 0.000 1.100 398 I HN 0.331 nan 8.210 nan 0.000 0.445 399 R N -0.890 119.587 120.500 -0.039 0.000 2.156 399 R HA -0.068 4.272 4.340 -0.000 0.000 0.207 399 R C 0.589 176.929 176.300 0.068 0.000 1.040 399 R CA -0.148 55.963 56.100 0.019 0.000 1.013 399 R CB -0.184 30.096 30.300 -0.034 0.000 0.931 399 R HN 0.289 nan 8.270 nan 0.000 0.465 400 Y N 3.302 123.542 120.300 -0.099 0.000 2.805 400 Y HA 0.001 4.550 4.550 -0.001 0.000 0.337 400 Y C -1.935 173.859 175.900 -0.177 0.000 1.252 400 Y CA -1.264 56.756 58.100 -0.133 0.000 1.515 400 Y CB 0.869 39.289 38.460 -0.066 0.000 1.305 400 Y HN 0.080 nan 8.280 nan 0.000 0.600 401 P HA 0.158 nan 4.420 nan 0.000 0.240 401 P C -1.018 175.865 177.300 -0.693 0.000 1.854 401 P CA 0.134 62.490 63.100 -1.240 0.000 1.081 401 P CB 0.059 30.844 31.700 -1.526 0.000 1.646 402 H N 0.458 119.379 119.070 -0.248 0.000 2.523 402 H HA 0.245 4.800 4.556 -0.001 0.000 0.345 402 H C 0.698 175.950 175.328 -0.125 0.000 1.261 402 H CA -0.346 55.606 56.048 -0.159 0.000 1.343 402 H CB 0.429 30.119 29.762 -0.120 0.000 1.650 402 H HN 0.050 nan 8.280 nan 0.000 0.591 403 N N -0.214 118.519 118.700 0.056 0.000 2.721 403 N HA -0.242 4.498 4.740 -0.000 0.000 0.249 403 N C 0.805 176.300 175.510 -0.024 0.000 1.072 403 N CA 0.474 53.526 53.050 0.003 0.000 0.710 403 N CB -1.018 37.467 38.487 -0.004 0.000 0.993 403 N HN 1.030 nan 8.380 nan 0.000 0.547 404 G N -1.821 106.959 108.800 -0.033 0.000 2.179 404 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 404 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 404 G C -0.004 174.874 174.900 -0.037 0.000 0.977 404 G CA 0.179 45.260 45.100 -0.032 0.000 0.641 404 G HN 0.281 nan 8.290 nan 0.000 0.533 405 L N 2.401 123.581 121.223 -0.072 0.000 2.485 405 L HA 0.422 4.761 4.340 -0.000 0.000 0.279 405 L C 1.970 178.855 176.870 0.025 0.000 1.124 405 L CA 1.449 56.252 54.840 -0.063 0.000 0.888 405 L CB 0.834 42.775 42.059 -0.197 0.000 1.217 405 L HN 0.409 nan 8.230 nan 0.000 0.464 406 T N -2.672 111.941 114.554 0.099 0.000 3.037 406 T HA 0.090 4.440 4.350 -0.000 0.000 0.252 406 T C 0.772 175.629 174.700 0.262 0.000 1.073 406 T CA 0.435 62.606 62.100 0.119 0.000 1.091 406 T CB -0.095 68.812 68.868 0.064 0.000 0.935 406 T HN 0.524 nan 8.240 nan 0.000 0.488 407 T N 0.584 115.304 114.554 0.276 0.000 2.888 407 T HA 0.427 4.777 4.350 -0.000 0.000 0.284 407 T C 0.995 175.759 174.700 0.107 0.000 1.017 407 T CA -0.861 61.351 62.100 0.187 0.000 1.022 407 T CB 2.200 71.118 68.868 0.083 0.000 1.013 407 T HN 0.330 nan 8.240 nan 0.000 0.465 408 E N 1.791 121.749 120.200 -0.403 0.000 2.204 408 E HA 0.022 4.371 4.350 -0.000 0.000 0.194 408 E C 0.351 176.795 176.600 -0.260 0.000 0.989 408 E CA 0.591 56.474 56.400 -0.861 0.000 0.824 408 E CB -0.128 28.988 29.700 -0.975 0.000 0.756 408 E HN 0.565 nan 8.360 nan 0.000 0.477 409 L N 1.004 122.082 121.223 -0.242 0.000 2.341 409 L HA 0.463 4.802 4.340 -0.000 0.000 0.267 409 L C -2.499 174.020 176.870 -0.584 0.000 1.009 409 L CA -2.933 51.658 54.840 -0.415 0.000 0.819 409 L CB 1.770 43.681 42.059 -0.247 0.000 1.323 409 L HN -0.267 nan 8.230 nan 0.000 0.425 410 P HA 0.032 nan 4.420 nan 0.000 0.267 410 P C 0.190 177.381 177.300 -0.182 0.000 1.200 410 P CA 0.046 62.900 63.100 -0.410 0.000 0.772 410 P CB 0.608 32.140 31.700 -0.281 0.000 0.855 411 T N -3.323 111.183 114.554 -0.081 0.000 2.986 411 T HA 0.165 4.515 4.350 -0.000 0.000 0.264 411 T C 0.008 174.692 174.700 -0.028 0.000 0.964 411 T CA -0.014 62.056 62.100 -0.049 0.000 0.895 411 T CB -0.146 68.706 68.868 -0.026 0.000 1.163 411 T HN 0.312 nan 8.240 nan 0.000 0.517 412 D N 0.811 121.200 120.400 -0.017 0.000 2.308 412 D HA 0.369 5.009 4.640 -0.000 0.000 0.242 412 D C 0.991 177.286 176.300 -0.009 0.000 1.059 412 D CA -0.949 53.047 54.000 -0.007 0.000 0.830 412 D CB 1.710 42.514 40.800 0.006 0.000 1.161 412 D HN -0.047 nan 8.370 nan 0.000 0.494 413 L N 4.074 125.291 121.223 -0.009 0.000 2.129 413 L HA 0.074 4.414 4.340 -0.000 0.000 0.212 413 L C 2.049 178.919 176.870 -0.001 0.000 1.087 413 L CA 2.347 57.182 54.840 -0.008 0.000 0.757 413 L CB -0.714 41.342 42.059 -0.006 0.000 0.896 413 L HN 0.690 nan 8.230 nan 0.000 0.434 414 G N -1.299 107.504 108.800 0.004 0.000 2.448 414 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.219 414 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.219 414 G C 1.482 176.391 174.900 0.016 0.000 1.127 414 G CA 0.747 45.852 45.100 0.009 0.000 0.766 414 G HN 0.593 nan 8.290 nan 0.000 0.552 415 E N -0.286 119.925 120.200 0.019 0.000 2.208 415 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 415 E C 2.199 178.816 176.600 0.029 0.000 0.988 415 E CA 0.395 56.815 56.400 0.033 0.000 0.828 415 E CB -0.083 29.647 29.700 0.050 0.000 0.763 415 E HN 0.497 nan 8.360 nan 0.000 0.478 416 L N 0.053 121.284 121.223 0.013 0.000 2.362 416 L HA 0.236 4.575 4.340 -0.000 0.000 0.204 416 L C 1.041 177.915 176.870 0.007 0.000 1.060 416 L CA -0.015 54.830 54.840 0.009 0.000 0.827 416 L CB 0.382 42.438 42.059 -0.005 0.000 1.027 416 L HN 0.089 nan 8.230 nan 0.000 0.474 417 L N 1.783 123.009 121.223 0.004 0.000 2.262 417 L HA 0.322 4.662 4.340 -0.000 0.000 0.288 417 L C -0.518 176.355 176.870 0.006 0.000 1.035 417 L CA -0.481 54.361 54.840 0.003 0.000 0.820 417 L CB 0.683 42.743 42.059 0.000 0.000 1.204 417 L HN -0.014 nan 8.230 nan 0.000 0.424 418 K N 1.464 121.867 120.400 0.006 0.000 2.090 418 K HA 0.262 4.581 4.320 -0.000 0.000 0.249 418 K C 1.141 177.745 176.600 0.006 0.000 0.995 418 K CA -0.107 56.185 56.287 0.007 0.000 0.914 418 K CB 1.654 34.160 32.500 0.009 0.000 1.057 418 K HN 0.636 nan 8.250 nan 0.000 0.462 419 S N -0.459 115.245 115.700 0.006 0.000 2.399 419 S HA -0.195 4.274 4.470 -0.000 0.000 0.231 419 S C 1.985 176.588 174.600 0.005 0.000 1.022 419 S CA 1.743 59.946 58.200 0.005 0.000 0.983 419 S CB -0.204 62.999 63.200 0.006 0.000 0.803 419 S HN 0.621 nan 8.310 nan 0.000 0.480 420 S N 2.371 118.073 115.700 0.005 0.000 2.359 420 S HA -0.213 4.257 4.470 -0.000 0.000 0.224 420 S C 1.601 176.203 174.600 0.003 0.000 1.035 420 S CA 1.621 59.823 58.200 0.004 0.000 1.018 420 S CB -0.860 62.343 63.200 0.004 0.000 0.876 420 S HN 0.614 nan 8.310 nan 0.000 0.448 421 D N 1.247 121.649 120.400 0.002 0.000 2.117 421 D HA -0.073 4.567 4.640 -0.000 0.000 0.197 421 D C 2.040 178.342 176.300 0.003 0.000 0.987 421 D CA 1.106 55.106 54.000 0.001 0.000 0.829 421 D CB -0.313 40.487 40.800 -0.001 0.000 0.961 421 D HN 0.551 nan 8.370 nan 0.000 0.460 422 K N 0.583 120.985 120.400 0.003 0.000 2.147 422 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 422 K C 2.236 178.839 176.600 0.005 0.000 1.049 422 K CA 0.506 56.796 56.287 0.004 0.000 0.936 422 K CB 0.044 32.547 32.500 0.005 0.000 0.722 422 K HN 0.002 nan 8.250 nan 0.000 0.446 423 V N 2.512 122.429 119.914 0.004 0.000 2.323 423 V HA -0.255 3.865 4.120 -0.000 0.000 0.244 423 V C 2.364 178.461 176.094 0.004 0.000 1.041 423 V CA 1.844 64.146 62.300 0.004 0.000 1.025 423 V CB -0.506 31.319 31.823 0.004 0.000 0.656 423 V HN 0.427 nan 8.190 nan 0.000 0.451 424 M N -0.944 118.657 119.600 0.003 0.000 2.175 424 M HA -0.104 4.375 4.480 -0.000 0.000 0.264 424 M C 2.224 178.526 176.300 0.003 0.000 1.063 424 M CA 2.007 57.309 55.300 0.003 0.000 1.119 424 M CB -0.830 31.772 32.600 0.003 0.000 1.377 424 M HN 0.197 nan 8.290 nan 0.000 0.415 425 L N 0.909 122.135 121.223 0.004 0.000 2.017 425 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 425 L C 2.691 179.565 176.870 0.007 0.000 1.073 425 L CA 1.660 56.503 54.840 0.006 0.000 0.745 425 L CB -0.581 41.482 42.059 0.007 0.000 0.894 425 L HN 0.346 nan 8.230 nan 0.000 0.432 426 K N -0.486 119.918 120.400 0.007 0.000 2.147 426 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 426 K C 2.222 178.826 176.600 0.007 0.000 1.049 426 K CA 1.085 57.377 56.287 0.008 0.000 0.936 426 K CB -0.096 32.409 32.500 0.008 0.000 0.722 426 K HN 0.247 nan 8.250 nan 0.000 0.446 427 R N 0.356 120.858 120.500 0.004 0.000 2.075 427 R HA -0.022 4.318 4.340 -0.000 0.000 0.232 427 R C 2.218 178.517 176.300 -0.001 0.000 1.126 427 R CA 0.997 57.098 56.100 0.002 0.000 0.963 427 R CB -0.057 30.243 30.300 0.000 0.000 0.858 427 R HN 0.066 nan 8.270 nan 0.000 0.435 428 R N 0.650 121.148 120.500 -0.002 0.000 2.115 428 R HA -0.038 4.301 4.340 -0.000 0.000 0.230 428 R C 2.154 178.451 176.300 -0.004 0.000 1.111 428 R CA 1.069 57.164 56.100 -0.008 0.000 0.976 428 R CB -0.485 29.811 30.300 -0.007 0.000 0.870 428 R HN 0.338 nan 8.270 nan 0.000 0.445 429 I N 0.571 121.145 120.570 0.007 0.000 2.353 429 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 429 I C 2.267 178.398 176.117 0.022 0.000 1.119 429 I CA 0.516 61.826 61.300 0.017 0.000 1.417 429 I CB -0.238 37.775 38.000 0.021 0.000 1.078 429 I HN 0.029 nan 8.210 nan 0.000 0.421 430 L N 1.479 122.712 121.223 0.016 0.000 2.046 430 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 430 L C 2.516 179.396 176.870 0.017 0.000 1.077 430 L CA 2.013 56.864 54.840 0.018 0.000 0.747 430 L CB -0.643 41.423 42.059 0.012 0.000 0.896 430 L HN 0.163 nan 8.230 nan 0.000 0.432 431 A N -0.810 122.011 122.820 0.001 0.000 2.070 431 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 431 A C 2.148 179.717 177.584 -0.024 0.000 1.159 431 A CA 1.659 53.686 52.037 -0.016 0.000 0.656 431 A CB -0.788 18.191 19.000 -0.035 0.000 0.800 431 A HN 0.537 nan 8.150 nan 0.000 0.453 432 L N -1.036 120.192 121.223 0.007 0.000 2.446 432 L HA 0.065 4.405 4.340 -0.000 0.000 0.219 432 L C 0.977 177.980 176.870 0.221 0.000 1.116 432 L CA -0.200 54.680 54.840 0.066 0.000 0.844 432 L CB -0.193 41.908 42.059 0.071 0.000 0.970 432 L HN 0.238 nan 8.230 nan 0.000 0.457 433 R N 1.976 122.548 120.500 0.120 0.000 2.640 433 R HA 0.056 4.396 4.340 -0.000 0.000 0.270 433 R C 0.062 176.434 176.300 0.120 0.000 1.024 433 R CA 0.283 56.445 56.100 0.103 0.000 1.085 433 R CB 0.303 30.638 30.300 0.058 0.000 0.963 433 R HN 0.254 nan 8.270 nan 0.000 0.426 434 R N 2.682 123.225 120.500 0.071 0.000 2.711 434 R HA 0.491 4.831 4.340 -0.000 0.000 0.284 434 R C -2.629 173.682 176.300 0.019 0.000 0.968 434 R CA -2.277 53.847 56.100 0.040 0.000 0.924 434 R CB 0.525 30.802 30.300 -0.038 0.000 1.162 434 R HN 0.288 nan 8.270 nan 0.000 0.465 435 P HA -0.098 nan 4.420 nan 0.000 0.266 435 P C -0.703 176.599 177.300 0.003 0.000 1.180 435 P CA 0.319 63.425 63.100 0.009 0.000 0.765 435 P CB 0.378 32.081 31.700 0.006 0.000 0.806 436 E N 1.061 121.263 120.200 0.004 0.000 2.502 436 E HA 0.150 4.500 4.350 -0.000 0.000 0.261 436 E C 1.390 177.988 176.600 -0.004 0.000 0.974 436 E CA 0.929 57.331 56.400 0.002 0.000 0.936 436 E CB -0.221 29.481 29.700 0.003 0.000 0.926 436 E HN 0.749 nan 8.360 nan 0.000 0.459 437 G N 2.623 111.420 108.800 -0.005 0.000 2.498 437 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.229 437 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.229 437 G C 0.402 175.291 174.900 -0.018 0.000 1.156 437 G CA 0.291 45.383 45.100 -0.013 0.000 0.680 437 G HN 0.598 nan 8.290 nan 0.000 0.512 438 Q N 1.416 121.205 119.800 -0.019 0.000 2.263 438 Q HA 0.424 4.764 4.340 -0.000 0.000 0.289 438 Q C 0.200 176.180 176.000 -0.033 0.000 1.061 438 Q CA 0.221 56.007 55.803 -0.028 0.000 0.927 438 Q CB 0.098 28.819 28.738 -0.029 0.000 1.154 438 Q HN 0.573 nan 8.270 nan 0.000 0.378 439 L N 5.586 126.793 121.223 -0.027 0.000 2.358 439 L HA 0.533 4.873 4.340 -0.000 0.000 0.268 439 L C -2.083 174.743 176.870 -0.073 0.000 1.032 439 L CA -2.620 52.212 54.840 -0.014 0.000 0.805 439 L CB 1.233 43.317 42.059 0.042 0.000 1.253 439 L HN 0.604 nan 8.230 nan 0.000 0.452 440 P HA 0.164 nan 4.420 nan 0.000 0.271 440 P C -2.474 174.720 177.300 -0.178 0.000 1.226 440 P CA -0.947 61.960 63.100 -0.321 0.000 0.765 440 P CB 0.005 31.398 31.700 -0.510 0.000 0.835 441 P HA 0.039 nan 4.420 nan 0.000 0.269 441 P C 0.792 178.205 177.300 0.188 0.000 1.217 441 P CA 0.115 63.236 63.100 0.035 0.000 0.783 441 P CB 0.263 31.986 31.700 0.038 0.000 0.898 442 I N -1.374 119.318 120.570 0.203 0.000 3.883 442 I HA 0.334 4.504 4.170 -0.000 0.000 0.326 442 I C 0.132 176.411 176.117 0.269 0.000 1.283 442 I CA 0.121 61.545 61.300 0.207 0.000 1.161 442 I CB 0.315 38.399 38.000 0.141 0.000 1.012 442 I HN -0.010 nan 8.210 nan 0.000 0.421 443 V N 0.754 120.837 119.914 0.281 0.000 3.120 443 V HA 0.339 4.459 4.120 -0.000 0.000 0.303 443 V C 0.865 177.128 176.094 0.280 0.000 1.238 443 V CA 0.231 62.694 62.300 0.271 0.000 1.008 443 V CB 2.450 34.410 31.823 0.229 0.000 1.064 443 V HN 0.357 nan 8.190 nan 0.000 0.434 444 T N 0.703 115.429 114.554 0.287 0.000 3.022 444 T HA 0.376 4.726 4.350 -0.000 0.000 0.250 444 T C 0.334 175.125 174.700 0.153 0.000 1.060 444 T CA 0.526 62.833 62.100 0.345 0.000 1.013 444 T CB -0.236 68.947 68.868 0.525 0.000 0.982 444 T HN 0.710 nan 8.240 nan 0.000 0.508 445 H N 0.836 119.876 119.070 -0.050 0.000 2.731 445 H HA 0.554 5.110 4.556 -0.000 0.000 0.368 445 H C -0.470 174.816 175.328 -0.069 0.000 1.168 445 H CA -1.162 54.804 56.048 -0.136 0.000 1.181 445 H CB 0.808 30.360 29.762 -0.350 0.000 1.743 445 H HN -0.023 nan 8.280 nan 0.000 0.547 446 N N 2.281 121.011 118.700 0.049 0.000 2.401 446 N HA 0.060 4.800 4.740 -0.000 0.000 0.255 446 N C -0.419 175.107 175.510 0.026 0.000 1.110 446 N CA -0.125 52.949 53.050 0.038 0.000 0.949 446 N CB 0.467 38.969 38.487 0.025 0.000 1.110 446 N HN 0.383 nan 8.380 nan 0.000 0.490 447 M N 1.634 121.256 119.600 0.035 0.000 2.217 447 M HA 0.156 4.635 4.480 -0.000 0.000 0.354 447 M C 0.117 176.433 176.300 0.027 0.000 1.225 447 M CA -0.550 54.767 55.300 0.029 0.000 1.137 447 M CB 0.557 33.199 32.600 0.069 0.000 1.576 447 M HN 0.030 nan 8.290 nan 0.000 0.461 448 V N 3.665 123.589 119.914 0.016 0.000 2.427 448 V HA 0.060 4.180 4.120 -0.000 0.000 0.268 448 V C 0.518 176.630 176.094 0.029 0.000 1.046 448 V CA -0.079 62.232 62.300 0.017 0.000 0.970 448 V CB 0.218 32.045 31.823 0.007 0.000 1.001 448 V HN 0.967 nan 8.190 nan 0.000 0.476 449 D N 3.772 124.189 120.400 0.029 0.000 2.990 449 D HA -0.190 4.450 4.640 -0.000 0.000 0.245 449 D C 1.047 177.377 176.300 0.050 0.000 1.120 449 D CA 0.993 55.013 54.000 0.032 0.000 0.838 449 D CB -0.511 40.302 40.800 0.022 0.000 1.000 449 D HN 0.864 nan 8.370 nan 0.000 0.420 450 D N 0.202 120.636 120.400 0.057 0.000 2.183 450 D HA -0.071 4.568 4.640 -0.000 0.000 0.203 450 D C 1.748 178.092 176.300 0.074 0.000 0.969 450 D CA 1.136 55.184 54.000 0.079 0.000 0.842 450 D CB 0.047 40.894 40.800 0.078 0.000 0.957 450 D HN 0.471 nan 8.370 nan 0.000 0.484 451 A N 0.553 123.405 122.820 0.053 0.000 1.969 451 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 451 A C 1.757 179.361 177.584 0.032 0.000 1.169 451 A CA 1.092 53.156 52.037 0.045 0.000 0.635 451 A CB -0.474 18.547 19.000 0.035 0.000 0.810 451 A HN 0.307 nan 8.150 nan 0.000 0.445 452 N N -0.352 118.363 118.700 0.025 0.000 2.235 452 N HA 0.130 4.870 4.740 -0.000 0.000 0.209 452 N C -0.631 174.876 175.510 -0.005 0.000 1.122 452 N CA -0.158 52.893 53.050 0.002 0.000 0.845 452 N CB 0.248 38.731 38.487 -0.005 0.000 1.004 452 N HN 0.466 nan 8.380 nan 0.000 0.499 453 D N 0.501 120.921 120.400 0.034 0.000 2.383 453 D HA 0.055 4.695 4.640 -0.000 0.000 0.252 453 D C 1.161 177.465 176.300 0.006 0.000 1.166 453 D CA -0.072 53.971 54.000 0.072 0.000 0.879 453 D CB 0.822 41.728 40.800 0.176 0.000 1.164 453 D HN 0.024 nan 8.370 nan 0.000 0.462 454 L N 4.113 125.301 121.223 -0.059 0.000 2.017 454 L HA -0.182 4.157 4.340 -0.000 0.000 0.208 454 L C 2.058 178.786 176.870 -0.236 0.000 1.073 454 L CA 0.568 55.215 54.840 -0.321 0.000 0.745 454 L CB -0.423 41.255 42.059 -0.636 0.000 0.894 454 L HN 0.664 nan 8.230 nan 0.000 0.432 455 I N 0.019 120.576 120.570 -0.022 0.000 2.099 455 I HA -0.304 3.866 4.170 -0.000 0.000 0.239 455 I C 2.575 178.626 176.117 -0.109 0.000 1.066 455 I CA 1.803 63.034 61.300 -0.115 0.000 1.324 455 I CB -0.955 36.641 38.000 -0.673 0.000 1.037 455 I HN 0.270 nan 8.210 nan 0.000 0.401 456 L N 0.461 121.658 121.223 -0.043 0.000 2.083 456 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 456 L C 2.314 179.196 176.870 0.019 0.000 1.083 456 L CA 1.174 56.035 54.840 0.036 0.000 0.752 456 L CB -0.712 41.434 42.059 0.145 0.000 0.899 456 L HN 0.318 nan 8.230 nan 0.000 0.433 457 N N -0.148 118.556 118.700 0.007 0.000 2.166 457 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 457 N C 1.862 177.370 175.510 -0.003 0.000 1.019 457 N CA 0.930 53.982 53.050 0.004 0.000 0.856 457 N CB -0.151 38.324 38.487 -0.021 0.000 0.993 457 N HN 0.133 nan 8.380 nan 0.000 0.426 458 K N 1.839 122.236 120.400 -0.004 0.000 2.057 458 K HA -0.007 4.313 4.320 -0.000 0.000 0.206 458 K C 1.964 178.548 176.600 -0.025 0.000 1.050 458 K CA 0.635 56.944 56.287 0.037 0.000 0.935 458 K CB -0.333 32.267 32.500 0.166 0.000 0.715 458 K HN 0.316 nan 8.250 nan 0.000 0.439 459 I N -1.511 119.017 120.570 -0.070 0.000 2.315 459 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 459 I C 2.175 178.118 176.117 -0.290 0.000 1.117 459 I CA 0.887 62.086 61.300 -0.168 0.000 1.404 459 I CB -0.585 37.315 38.000 -0.166 0.000 1.071 459 I HN 0.002 nan 8.210 nan 0.000 0.419 460 R N 0.884 121.279 120.500 -0.174 0.000 2.091 460 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 460 R C 2.498 178.801 176.300 0.004 0.000 1.136 460 R CA 1.626 57.684 56.100 -0.069 0.000 0.959 460 R CB -0.476 29.905 30.300 0.135 0.000 0.856 460 R HN 0.491 nan 8.270 nan 0.000 0.437 461 Q N 1.131 120.930 119.800 -0.001 0.000 2.170 461 Q HA -0.116 4.224 4.340 -0.000 0.000 0.203 461 Q C 1.851 177.853 176.000 0.003 0.000 0.976 461 Q CA 1.934 57.751 55.803 0.022 0.000 0.858 461 Q CB 0.235 28.985 28.738 0.021 0.000 0.907 461 Q HN 0.388 nan 8.270 nan 0.000 0.433 462 V N -2.901 116.982 119.914 -0.051 0.000 3.506 462 V HA 0.125 4.245 4.120 -0.000 0.000 0.263 462 V C 0.427 176.481 176.094 -0.067 0.000 1.203 462 V CA 0.628 62.894 62.300 -0.056 0.000 1.133 462 V CB -0.250 31.527 31.823 -0.077 0.000 0.802 462 V HN 0.339 nan 8.190 nan 0.000 0.459 463 Q N -0.054 119.658 119.800 -0.145 0.000 2.481 463 Q HA -0.143 4.197 4.340 -0.000 0.000 0.283 463 Q C -0.296 175.584 176.000 -0.200 0.000 1.292 463 Q CA 0.538 56.275 55.803 -0.111 0.000 0.819 463 Q CB -1.791 27.090 28.738 0.238 0.000 1.202 463 Q HN 0.692 nan 8.270 nan 0.000 0.446 464 L N 0.866 121.838 121.223 -0.420 0.000 2.358 464 L HA 0.247 4.586 4.340 -0.000 0.000 0.274 464 L C 0.259 176.923 176.870 -0.342 0.000 1.136 464 L CA -0.061 54.625 54.840 -0.255 0.000 0.970 464 L CB -0.015 41.928 42.059 -0.194 0.000 1.314 464 L HN 0.212 nan 8.230 nan 0.000 0.427 465 F N 0.980 120.952 119.950 0.036 0.000 2.684 465 F HA 0.220 4.746 4.527 -0.000 0.000 0.298 465 F C 0.735 176.569 175.800 0.057 0.000 1.120 465 F CA -0.583 57.444 58.000 0.044 0.000 1.332 465 F CB -0.124 38.897 39.000 0.035 0.000 0.986 465 F HN 0.451 nan 8.300 nan 0.000 0.524 466 N N 0.272 119.081 118.700 0.182 0.000 2.738 466 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 466 N C -0.209 175.420 175.510 0.197 0.000 1.047 466 N CA 0.651 53.822 53.050 0.201 0.000 0.707 466 N CB -1.508 37.112 38.487 0.221 0.000 0.937 466 N HN 0.108 nan 8.380 nan 0.000 0.545 467 S N 0.324 116.119 115.700 0.157 0.000 2.617 467 S HA 0.331 4.801 4.470 -0.000 0.000 0.269 467 S C -1.010 173.649 174.600 0.099 0.000 1.292 467 S CA -1.111 57.164 58.200 0.124 0.000 1.010 467 S CB 1.392 64.655 63.200 0.106 0.000 0.944 467 S HN 0.057 nan 8.310 nan 0.000 0.536 468 P HA -0.104 nan 4.420 nan 0.000 0.218 468 P C 1.243 178.560 177.300 0.028 0.000 1.148 468 P CA 1.048 64.191 63.100 0.071 0.000 0.822 468 P CB -0.033 31.704 31.700 0.062 0.000 0.784 469 S N -2.448 113.267 115.700 0.024 0.000 2.461 469 S HA -0.016 4.453 4.470 -0.000 0.000 0.228 469 S C 0.723 175.314 174.600 -0.015 0.000 1.005 469 S CA 0.265 58.467 58.200 0.002 0.000 0.942 469 S CB -0.835 62.372 63.200 0.011 0.000 0.776 469 S HN 0.061 nan 8.310 nan 0.000 0.514 470 D N 2.023 122.421 120.400 -0.003 0.000 2.371 470 D HA 0.226 4.866 4.640 -0.000 0.000 0.256 470 D C 0.746 176.991 176.300 -0.091 0.000 1.193 470 D CA 0.083 54.066 54.000 -0.027 0.000 0.881 470 D CB 0.992 41.794 40.800 0.002 0.000 1.143 470 D HN 0.133 nan 8.370 nan 0.000 0.473 471 R N 1.381 121.815 120.500 -0.110 0.000 2.300 471 R HA 0.124 4.464 4.340 -0.000 0.000 0.199 471 R C -0.294 175.882 176.300 -0.207 0.000 0.920 471 R CA 0.245 56.245 56.100 -0.166 0.000 1.046 471 R CB 0.406 30.625 30.300 -0.136 0.000 0.984 471 R HN 0.196 nan 8.270 nan 0.000 0.493 472 V N 1.960 121.774 119.914 -0.167 0.000 2.448 472 V HA 0.382 4.502 4.120 -0.000 0.000 0.295 472 V C -0.516 175.496 176.094 -0.136 0.000 1.025 472 V CA -0.931 61.259 62.300 -0.183 0.000 0.859 472 V CB 1.795 33.522 31.823 -0.161 0.000 0.988 472 V HN 0.022 nan 8.190 nan 0.000 0.431 473 K N 4.039 124.360 120.400 -0.133 0.000 2.166 473 K HA 0.755 5.074 4.320 -0.000 0.000 0.245 473 K C -0.827 175.774 176.600 0.001 0.000 0.967 473 K CA -0.958 55.327 56.287 -0.003 0.000 0.863 473 K CB 2.370 34.926 32.500 0.093 0.000 1.107 473 K HN 0.580 nan 8.250 nan 0.000 0.436 474 M N 2.331 121.961 119.600 0.050 0.000 2.327 474 M HA 0.472 4.952 4.480 -0.000 0.000 0.298 474 M C -1.691 174.646 176.300 0.062 0.000 1.065 474 M CA -0.336 54.977 55.300 0.022 0.000 0.916 474 M CB 1.209 33.798 32.600 -0.019 0.000 1.630 474 M HN 0.542 nan 8.290 nan 0.000 0.442 475 I N 5.215 125.816 120.570 0.051 0.000 2.497 475 I HA 0.308 4.478 4.170 -0.000 0.000 0.284 475 I C -1.573 174.731 176.117 0.310 0.000 1.060 475 I CA -0.577 60.785 61.300 0.103 0.000 1.071 475 I CB 1.472 39.418 38.000 -0.089 0.000 1.216 475 I HN 0.556 nan 8.210 nan 0.000 0.442 476 F N 6.677 126.719 119.950 0.153 0.000 2.404 476 F HA 0.323 4.850 4.527 -0.000 0.000 0.358 476 F C -0.002 175.916 175.800 0.197 0.000 1.120 476 F CA -0.404 57.688 58.000 0.153 0.000 1.144 476 F CB 0.348 39.400 39.000 0.087 0.000 1.133 476 F HN 0.405 nan 8.300 nan 0.000 0.495 477 H N 8.608 127.679 119.070 0.001 0.000 2.572 477 H HA 0.320 4.875 4.556 -0.000 0.000 0.248 477 H C -2.312 172.688 175.328 -0.547 0.000 1.397 477 H CA -2.136 53.803 56.048 -0.181 0.000 1.319 477 H CB 1.122 30.880 29.762 -0.006 0.000 1.452 477 H HN 0.368 nan 8.280 nan 0.000 0.535 478 P HA 0.049 nan 4.420 nan 0.000 0.277 478 P C -0.206 176.559 177.300 -0.892 0.000 1.617 478 P CA 0.461 62.883 63.100 -1.130 0.000 0.829 478 P CB -0.046 30.956 31.700 -1.163 0.000 1.774 479 E N -0.579 119.152 120.200 -0.781 0.000 2.412 479 E HA 0.403 4.753 4.350 -0.000 0.000 0.279 479 E C -1.068 175.403 176.600 -0.214 0.000 0.984 479 E CA -0.840 55.214 56.400 -0.576 0.000 0.788 479 E CB 1.084 30.371 29.700 -0.689 0.000 1.277 479 E HN -0.235 nan 8.360 nan 0.000 0.455 480 F N 1.624 121.545 119.950 -0.048 0.000 2.471 480 F HA 0.225 4.752 4.527 -0.000 0.000 0.353 480 F C 0.424 176.263 175.800 0.064 0.000 1.113 480 F CA -0.204 57.796 58.000 -0.001 0.000 1.262 480 F CB 0.380 39.359 39.000 -0.035 0.000 1.146 480 F HN 0.289 nan 8.300 nan 0.000 0.578 481 L N 3.862 125.238 121.223 0.255 0.000 2.416 481 L HA 0.209 4.548 4.340 -0.000 0.000 0.272 481 L C 0.236 177.169 176.870 0.106 0.000 1.161 481 L CA -0.001 54.889 54.840 0.084 0.000 0.845 481 L CB 0.263 42.281 42.059 -0.068 0.000 1.119 481 L HN 0.604 nan 8.230 nan 0.000 0.464 482 N N 1.010 119.760 118.700 0.083 0.000 2.367 482 N HA 0.269 5.009 4.740 -0.000 0.000 0.278 482 N C 0.258 175.794 175.510 0.044 0.000 1.117 482 N CA -0.012 53.079 53.050 0.069 0.000 0.867 482 N CB 2.171 40.711 38.487 0.089 0.000 1.649 482 N HN 0.588 nan 8.380 nan 0.000 0.479 483 A N 2.654 125.491 122.820 0.028 0.000 1.948 483 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 483 A C 1.210 178.803 177.584 0.015 0.000 1.177 483 A CA 1.756 53.801 52.037 0.013 0.000 0.636 483 A CB -0.723 18.283 19.000 0.010 0.000 0.815 483 A HN 0.857 nan 8.150 nan 0.000 0.449 484 N N -0.286 118.432 118.700 0.030 0.000 2.322 484 N HA -0.032 4.708 4.740 -0.000 0.000 0.216 484 N C 0.079 175.617 175.510 0.047 0.000 1.144 484 N CA -0.226 52.841 53.050 0.029 0.000 0.830 484 N CB -0.187 38.317 38.487 0.027 0.000 1.034 484 N HN 0.409 nan 8.380 nan 0.000 0.484 485 N N 2.597 121.336 118.700 0.066 0.000 2.497 485 N HA 0.058 4.797 4.740 -0.000 0.000 0.268 485 N C -1.487 174.001 175.510 -0.036 0.000 1.171 485 N CA -1.683 51.426 53.050 0.099 0.000 0.948 485 N CB 1.256 39.864 38.487 0.203 0.000 1.069 485 N HN 0.039 nan 8.380 nan 0.000 0.460 486 P HA 0.047 nan 4.420 nan 0.000 0.237 486 P C 0.917 178.076 177.300 -0.235 0.000 1.178 486 P CA 0.796 63.772 63.100 -0.207 0.000 0.766 486 P CB 0.562 32.106 31.700 -0.260 0.000 0.876 487 I N -1.628 118.776 120.570 -0.277 0.000 3.570 487 I HA 0.085 4.255 4.170 -0.000 0.000 0.270 487 I C 0.556 176.686 176.117 0.023 0.000 1.162 487 I CA 0.170 61.399 61.300 -0.117 0.000 1.413 487 I CB 0.456 38.348 38.000 -0.181 0.000 1.437 487 I HN -0.215 nan 8.210 nan 0.000 0.457 488 L N 1.546 122.710 121.223 -0.098 0.000 2.679 488 L HA 0.478 4.818 4.340 -0.000 0.000 0.238 488 L C 0.510 177.295 176.870 -0.142 0.000 1.330 488 L CA -0.310 54.399 54.840 -0.218 0.000 0.935 488 L CB 0.310 42.004 42.059 -0.608 0.000 1.243 488 L HN 0.027 nan 8.230 nan 0.000 0.484 489 G N 3.648 112.409 108.800 -0.066 0.000 2.991 489 G HA2 0.304 4.264 3.960 -0.000 0.000 0.262 489 G HA3 0.304 4.264 3.960 -0.000 0.000 0.262 489 G C -0.215 174.662 174.900 -0.039 0.000 0.765 489 G CA -0.004 45.073 45.100 -0.039 0.000 2.051 489 G HN 0.410 nan 8.290 nan 0.000 0.602 490 L N 0.675 121.863 121.223 -0.058 0.000 2.386 490 L HA 0.362 4.701 4.340 -0.000 0.000 0.271 490 L C -0.610 176.247 176.870 -0.021 0.000 0.993 490 L CA -1.272 53.544 54.840 -0.040 0.000 0.819 490 L CB 2.196 44.230 42.059 -0.042 0.000 1.294 490 L HN 0.064 nan 8.230 nan 0.000 0.414 491 D N 0.198 120.601 120.400 0.006 0.000 2.361 491 D HA -0.050 4.589 4.640 -0.000 0.000 0.239 491 D C 0.571 176.911 176.300 0.066 0.000 1.200 491 D CA 0.071 54.094 54.000 0.039 0.000 0.915 491 D CB 0.859 41.682 40.800 0.039 0.000 1.170 491 D HN 0.383 nan 8.370 nan 0.000 0.444 492 Y N 1.552 121.840 120.300 -0.020 0.000 2.114 492 Y HA -0.285 4.264 4.550 -0.000 0.000 0.282 492 Y C 1.980 177.899 175.900 0.031 0.000 1.165 492 Y CA 2.387 60.487 58.100 -0.000 0.000 1.148 492 Y CB -0.113 38.346 38.460 -0.001 0.000 0.972 492 Y HN 0.502 nan 8.280 nan 0.000 0.504 493 D N -0.565 119.814 120.400 -0.036 0.000 2.149 493 D HA -0.228 4.412 4.640 -0.000 0.000 0.198 493 D C 1.560 177.784 176.300 -0.125 0.000 0.990 493 D CA 1.854 55.791 54.000 -0.106 0.000 0.839 493 D CB -0.564 40.242 40.800 0.011 0.000 0.948 493 D HN 0.610 nan 8.370 nan 0.000 0.460 494 E N -0.229 119.927 120.200 -0.073 0.000 2.051 494 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 494 E C 2.029 178.547 176.600 -0.136 0.000 0.991 494 E CA 0.732 57.088 56.400 -0.074 0.000 0.799 494 E CB -0.401 29.276 29.700 -0.039 0.000 0.748 494 E HN 0.267 nan 8.360 nan 0.000 0.449 495 F N 1.725 121.480 119.950 -0.324 0.000 2.065 495 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 495 F C 2.181 177.657 175.800 -0.540 0.000 1.112 495 F CA 1.320 59.048 58.000 -0.453 0.000 1.212 495 F CB -0.404 38.287 39.000 -0.516 0.000 0.975 495 F HN -0.207 nan 8.300 nan 0.000 0.476 496 V N 1.321 120.867 119.914 -0.614 0.000 2.332 496 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 496 V C 2.504 178.390 176.094 -0.347 0.000 1.055 496 V CA 2.361 64.267 62.300 -0.656 0.000 1.038 496 V CB -0.794 30.746 31.823 -0.471 0.000 0.651 496 V HN 0.329 nan 8.190 nan 0.000 0.450 497 R N 0.310 120.680 120.500 -0.216 0.000 2.105 497 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 497 R C 2.391 178.690 176.300 -0.002 0.000 1.135 497 R CA 1.562 57.629 56.100 -0.055 0.000 0.967 497 R CB -0.799 29.490 30.300 -0.019 0.000 0.861 497 R HN 0.594 nan 8.270 nan 0.000 0.442 498 G N 0.456 109.140 108.800 -0.193 0.000 2.572 498 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.216 498 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.216 498 G C 0.610 175.390 174.900 -0.201 0.000 1.133 498 G CA -0.017 44.947 45.100 -0.227 0.000 0.791 498 G HN 0.212 nan 8.290 nan 0.000 0.538 499 C N -0.873 118.248 119.300 -0.298 0.000 2.480 499 C HA 0.490 4.950 4.460 -0.000 0.000 0.344 499 C C 1.588 176.564 174.990 -0.023 0.000 1.380 499 C CA -0.097 58.837 59.018 -0.140 0.000 2.386 499 C CB 0.701 28.309 27.740 -0.221 0.000 2.210 499 C HN 0.602 nan 8.230 nan 0.000 0.640 500 H N -1.080 118.217 119.070 0.378 0.000 2.695 500 H HA 0.449 5.005 4.556 -0.000 0.000 0.267 500 H C -0.359 175.050 175.328 0.135 0.000 0.973 500 H CA 0.105 56.363 56.048 0.350 0.000 1.223 500 H CB 0.337 30.417 29.762 0.530 0.000 1.442 500 H HN 0.287 nan 8.280 nan 0.000 0.478 501 L N 0.672 121.968 121.223 0.122 0.000 2.562 501 L HA 0.549 4.889 4.340 -0.000 0.000 0.266 501 L C -0.439 176.222 176.870 -0.350 0.000 0.949 501 L CA -0.662 53.943 54.840 -0.393 0.000 0.879 501 L CB 1.719 43.019 42.059 -1.265 0.000 1.278 501 L HN 0.126 nan 8.230 nan 0.000 0.404 502 G N 3.607 112.134 108.800 -0.455 0.000 2.372 502 G HA2 0.568 4.527 3.960 -0.000 0.000 0.283 502 G HA3 0.568 4.527 3.960 -0.000 0.000 0.283 502 G C -1.258 172.769 174.900 -1.455 0.000 1.177 502 G CA -0.389 44.020 45.100 -1.152 0.000 0.842 502 G HN 0.502 nan 8.290 nan 0.000 0.503 503 V N 2.564 121.323 119.914 -1.926 0.000 2.380 503 V HA 0.401 4.520 4.120 -0.000 0.000 0.286 503 V C -1.174 174.091 176.094 -1.382 0.000 1.015 503 V CA -0.603 60.933 62.300 -1.273 0.000 0.834 503 V CB 0.731 32.206 31.823 -0.581 0.000 1.009 503 V HN 0.636 nan 8.190 nan 0.000 0.428 504 F N 5.577 125.334 119.950 -0.321 0.000 2.660 504 F HA 0.444 4.970 4.527 -0.000 0.000 0.352 504 F C -2.374 173.331 175.800 -0.157 0.000 1.257 504 F CA -2.539 55.295 58.000 -0.276 0.000 1.200 504 F CB 1.393 40.210 39.000 -0.305 0.000 1.473 504 F HN 0.296 nan 8.300 nan 0.000 0.561 505 P HA 0.111 nan 4.420 nan 0.000 0.228 505 P C -0.091 177.245 177.300 0.060 0.000 1.748 505 P CA 0.121 63.244 63.100 0.039 0.000 0.909 505 P CB 0.051 31.779 31.700 0.046 0.000 1.882 506 S N 0.273 116.005 115.700 0.053 0.000 2.572 506 S HA 0.028 4.498 4.470 -0.000 0.000 0.279 506 S C 0.510 175.191 174.600 0.136 0.000 1.341 506 S CA -0.036 58.203 58.200 0.065 0.000 1.043 506 S CB 0.470 63.664 63.200 -0.011 0.000 0.887 506 S HN 0.304 nan 8.310 nan 0.000 0.516 507 Y N 1.567 121.904 120.300 0.062 0.000 2.500 507 Y HA 0.294 4.844 4.550 -0.000 0.000 0.284 507 Y C -0.008 176.052 175.900 0.268 0.000 1.118 507 Y CA 0.205 58.386 58.100 0.135 0.000 1.241 507 Y CB 0.277 38.809 38.460 0.120 0.000 1.171 507 Y HN 0.698 nan 8.280 nan 0.000 0.540 508 Y N 1.992 122.328 120.300 0.059 0.000 2.388 508 Y HA 0.465 5.015 4.550 -0.000 0.000 0.328 508 Y C -1.134 174.782 175.900 0.027 0.000 0.963 508 Y CA -1.080 57.020 58.100 -0.000 0.000 1.240 508 Y CB 0.661 39.083 38.460 -0.063 0.000 1.118 508 Y HN 0.123 nan 8.280 nan 0.000 0.484 509 E N 8.100 128.067 120.200 -0.388 0.000 2.649 509 E HA 0.274 4.623 4.350 -0.000 0.000 0.310 509 E C -2.477 173.964 176.600 -0.265 0.000 1.036 509 E CA -1.942 54.278 56.400 -0.300 0.000 0.772 509 E CB 1.407 30.981 29.700 -0.210 0.000 1.513 509 E HN 0.393 nan 8.360 nan 0.000 0.384 510 P HA -0.133 nan 4.420 nan 0.000 0.215 510 P C -0.486 176.930 177.300 0.193 0.000 1.157 510 P CA 1.048 64.131 63.100 -0.028 0.000 0.874 510 P CB 0.191 31.924 31.700 0.055 0.000 0.790 511 W N -0.304 121.000 121.300 0.007 0.000 2.968 511 W HA 0.456 5.116 4.660 -0.000 0.000 0.337 511 W C -0.623 175.869 176.519 -0.046 0.000 1.060 511 W CA -0.908 56.458 57.345 0.036 0.000 1.240 511 W CB 1.699 31.223 29.460 0.106 0.000 1.370 511 W HN -0.118 nan 8.180 nan 0.000 0.459 512 G N 5.564 113.789 108.800 -0.957 0.000 3.008 512 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.272 512 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.272 512 G C 0.409 174.591 174.900 -1.196 0.000 0.764 512 G CA -0.110 44.380 45.100 -1.018 0.000 2.029 512 G HN 0.710 nan 8.290 nan 0.000 0.587 513 Y N -0.139 119.810 120.300 -0.585 0.000 2.315 513 Y HA -0.150 4.400 4.550 -0.000 0.000 0.288 513 Y C 2.397 178.072 175.900 -0.375 0.000 1.154 513 Y CA 1.242 59.186 58.100 -0.261 0.000 1.229 513 Y CB -0.844 37.641 38.460 0.042 0.000 0.980 513 Y HN 0.232 nan 8.280 nan 0.000 0.540 514 T N 1.822 115.916 114.554 -0.766 0.000 2.668 514 T HA -0.061 4.289 4.350 -0.000 0.000 0.262 514 T C -0.404 173.720 174.700 -0.960 0.000 1.045 514 T CA 1.744 63.411 62.100 -0.722 0.000 1.152 514 T CB -1.142 67.164 68.868 -0.936 0.000 0.864 514 T HN 0.249 nan 8.240 nan 0.000 0.419 515 P HA 0.128 nan 4.420 nan 0.000 0.223 515 P C 1.178 177.864 177.300 -1.023 0.000 1.151 515 P CA 0.740 63.210 63.100 -1.050 0.000 0.787 515 P CB -0.145 30.925 31.700 -1.050 0.000 0.788 516 A N 1.130 123.300 122.820 -1.083 0.000 1.854 516 A HA -0.192 4.128 4.320 -0.000 0.000 0.214 516 A C 2.159 179.614 177.584 -0.214 0.000 1.192 516 A CA 1.461 53.129 52.037 -0.615 0.000 0.611 516 A CB -1.109 17.705 19.000 -0.309 0.000 0.832 516 A HN 0.282 nan 8.150 nan 0.000 0.442 517 E N -0.684 119.432 120.200 -0.141 0.000 2.204 517 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 517 E C 2.051 178.646 176.600 -0.008 0.000 0.990 517 E CA 1.170 57.561 56.400 -0.015 0.000 0.821 517 E CB -0.829 28.920 29.700 0.082 0.000 0.750 517 E HN 0.520 nan 8.360 nan 0.000 0.477 518 C N 1.568 120.843 119.300 -0.041 0.000 2.413 518 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 518 C C 2.918 177.927 174.990 0.032 0.000 1.228 518 C CA 1.803 60.850 59.018 0.049 0.000 1.731 518 C CB -1.137 26.655 27.740 0.087 0.000 2.042 518 C HN 0.543 nan 8.230 nan 0.000 0.468 519 T N -0.099 114.448 114.554 -0.011 0.000 2.788 519 T HA -0.135 4.214 4.350 -0.000 0.000 0.268 519 T C 1.663 176.376 174.700 0.021 0.000 1.044 519 T CA 1.621 63.747 62.100 0.045 0.000 1.139 519 T CB -0.238 68.700 68.868 0.117 0.000 0.867 519 T HN 0.415 nan 8.240 nan 0.000 0.454 520 V N 1.489 121.404 119.914 0.003 0.000 2.667 520 V HA -0.025 4.095 4.120 -0.000 0.000 0.252 520 V C 2.124 178.195 176.094 -0.037 0.000 1.065 520 V CA 1.033 63.322 62.300 -0.020 0.000 1.083 520 V CB -0.460 31.356 31.823 -0.012 0.000 0.692 520 V HN 0.475 nan 8.190 nan 0.000 0.468 521 M N -0.194 119.407 119.600 0.001 0.000 2.618 521 M HA 0.243 4.723 4.480 -0.000 0.000 0.240 521 M C 1.606 177.936 176.300 0.049 0.000 1.123 521 M CA 0.891 56.213 55.300 0.037 0.000 1.060 521 M CB -1.074 31.552 32.600 0.042 0.000 1.535 521 M HN 0.487 nan 8.290 nan 0.000 0.507 522 G N 1.413 110.192 108.800 -0.035 0.000 2.246 522 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.273 522 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.273 522 G C -0.205 174.783 174.900 0.146 0.000 1.055 522 G CA 0.024 45.119 45.100 -0.007 0.000 0.851 522 G HN 0.366 nan 8.290 nan 0.000 0.500 523 V N 0.889 120.869 119.914 0.111 0.000 2.444 523 V HA 0.476 4.596 4.120 -0.000 0.000 0.294 523 V C -1.754 174.411 176.094 0.118 0.000 1.022 523 V CA -1.850 60.523 62.300 0.122 0.000 0.850 523 V CB 2.171 34.075 31.823 0.135 0.000 0.992 523 V HN 0.140 nan 8.190 nan 0.000 0.426 524 P HA 0.218 nan 4.420 nan 0.000 0.268 524 P C -0.513 176.802 177.300 0.024 0.000 1.208 524 P CA 0.178 63.341 63.100 0.105 0.000 0.777 524 P CB 0.537 32.339 31.700 0.170 0.000 0.875 525 S N 0.835 116.571 115.700 0.060 0.000 2.618 525 S HA 0.696 5.166 4.470 -0.000 0.000 0.277 525 S C -0.807 173.812 174.600 0.031 0.000 1.138 525 S CA -0.925 57.275 58.200 0.001 0.000 0.844 525 S CB 1.014 64.329 63.200 0.192 0.000 1.127 525 S HN 0.223 nan 8.310 nan 0.000 0.474 526 I N 1.601 122.098 120.570 -0.123 0.000 2.362 526 I HA 0.520 4.689 4.170 -0.000 0.000 0.289 526 I C 0.277 176.422 176.117 0.046 0.000 0.994 526 I CA -0.259 61.013 61.300 -0.046 0.000 1.158 526 I CB 1.833 39.737 38.000 -0.160 0.000 1.315 526 I HN 0.782 nan 8.210 nan 0.000 0.451 527 T N 3.502 118.125 114.554 0.114 0.000 2.762 527 T HA 0.690 5.040 4.350 -0.000 0.000 0.272 527 T C -0.357 174.401 174.700 0.097 0.000 0.982 527 T CA -0.281 61.893 62.100 0.123 0.000 1.013 527 T CB 1.867 70.849 68.868 0.190 0.000 1.309 527 T HN 0.753 nan 8.240 nan 0.000 0.572 528 T N -0.159 114.429 114.554 0.056 0.000 2.901 528 T HA 0.415 4.765 4.350 -0.000 0.000 0.293 528 T C 0.561 175.247 174.700 -0.023 0.000 1.084 528 T CA -0.751 61.368 62.100 0.032 0.000 1.008 528 T CB 1.265 70.143 68.868 0.017 0.000 1.170 528 T HN 0.588 nan 8.240 nan 0.000 0.509 529 N N 0.572 119.246 118.700 -0.044 0.000 2.461 529 N HA -0.039 4.701 4.740 -0.000 0.000 0.188 529 N C 1.378 176.761 175.510 -0.211 0.000 1.134 529 N CA 0.777 53.775 53.050 -0.088 0.000 0.878 529 N CB -0.501 37.962 38.487 -0.040 0.000 0.972 529 N HN 0.645 nan 8.380 nan 0.000 0.456 530 V N -4.073 115.659 119.914 -0.303 0.000 3.660 530 V HA 0.273 4.393 4.120 -0.000 0.000 0.276 530 V C 0.831 176.685 176.094 -0.399 0.000 1.317 530 V CA -0.183 61.755 62.300 -0.604 0.000 1.097 530 V CB -0.637 30.561 31.823 -1.042 0.000 0.863 530 V HN 0.264 nan 8.190 nan 0.000 0.438 531 S N 1.043 116.615 115.700 -0.214 0.000 2.586 531 S HA 0.566 5.036 4.470 -0.000 0.000 0.274 531 S C 1.539 176.086 174.600 -0.088 0.000 1.281 531 S CA 0.247 58.356 58.200 -0.151 0.000 1.035 531 S CB 1.269 64.393 63.200 -0.127 0.000 0.962 531 S HN 0.565 nan 8.310 nan 0.000 0.512 532 G N 2.795 111.573 108.800 -0.038 0.000 2.422 532 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 532 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 532 G C 1.058 176.011 174.900 0.089 0.000 1.146 532 G CA 0.763 45.936 45.100 0.122 0.000 0.769 532 G HN 0.774 nan 8.290 nan 0.000 0.547 533 F N 2.180 121.858 119.950 -0.454 0.000 2.113 533 F HA 0.088 4.615 4.527 -0.000 0.000 0.297 533 F C 2.583 178.269 175.800 -0.190 0.000 1.103 533 F CA 1.717 59.334 58.000 -0.639 0.000 1.248 533 F CB -0.435 38.001 39.000 -0.940 0.000 0.999 533 F HN 0.106 nan 8.300 nan 0.000 0.475 534 G N -0.635 108.129 108.800 -0.059 0.000 2.418 534 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 534 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 534 G C 1.887 176.722 174.900 -0.108 0.000 1.158 534 G CA 1.071 46.123 45.100 -0.079 0.000 0.771 534 G HN 0.627 nan 8.290 nan 0.000 0.545 535 S N 0.004 115.668 115.700 -0.059 0.000 2.368 535 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 535 S C 2.068 176.650 174.600 -0.030 0.000 1.029 535 S CA 1.473 59.650 58.200 -0.038 0.000 0.988 535 S CB -0.561 62.632 63.200 -0.013 0.000 0.838 535 S HN 0.435 nan 8.310 nan 0.000 0.462 536 Y N 0.309 120.546 120.300 -0.105 0.000 2.224 536 Y HA -0.079 4.471 4.550 -0.000 0.000 0.289 536 Y C 2.255 178.037 175.900 -0.197 0.000 1.146 536 Y CA 1.924 59.973 58.100 -0.084 0.000 1.182 536 Y CB -0.086 38.415 38.460 0.069 0.000 0.983 536 Y HN 0.341 nan 8.280 nan 0.000 0.524 537 M N 0.026 119.505 119.600 -0.202 0.000 2.394 537 M HA -0.035 4.445 4.480 -0.000 0.000 0.266 537 M C 2.031 178.186 176.300 -0.241 0.000 1.098 537 M CA 1.242 56.359 55.300 -0.305 0.000 1.149 537 M CB -0.241 32.046 32.600 -0.521 0.000 1.369 537 M HN 0.273 nan 8.290 nan 0.000 0.450 538 E N -0.357 119.733 120.200 -0.184 0.000 2.265 538 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 538 E C 1.290 177.806 176.600 -0.140 0.000 0.996 538 E CA 1.299 57.622 56.400 -0.128 0.000 0.832 538 E CB -0.016 29.637 29.700 -0.077 0.000 0.756 538 E HN 0.556 nan 8.360 nan 0.000 0.491 539 D N -0.444 119.842 120.400 -0.190 0.000 2.367 539 D HA -0.075 4.565 4.640 -0.000 0.000 0.207 539 D C 1.682 177.837 176.300 -0.241 0.000 1.034 539 D CA 0.026 53.907 54.000 -0.198 0.000 0.861 539 D CB 0.347 41.023 40.800 -0.208 0.000 0.943 539 D HN 0.206 nan 8.370 nan 0.000 0.515 540 L N 0.566 121.616 121.223 -0.289 0.000 2.298 540 L HA 0.307 4.647 4.340 -0.000 0.000 0.209 540 L C 0.806 177.541 176.870 -0.225 0.000 1.084 540 L CA 0.715 55.389 54.840 -0.276 0.000 0.816 540 L CB 0.141 42.014 42.059 -0.309 0.000 0.967 540 L HN 0.009 nan 8.230 nan 0.000 0.460 541 I N -0.544 119.895 120.570 -0.217 0.000 2.545 541 I HA 0.205 4.375 4.170 -0.000 0.000 0.292 541 I C 0.324 176.357 176.117 -0.140 0.000 1.040 541 I CA -0.800 60.376 61.300 -0.208 0.000 1.068 541 I CB 2.371 40.206 38.000 -0.275 0.000 1.251 541 I HN -0.132 nan 8.210 nan 0.000 0.424 542 E N 3.341 123.478 120.200 -0.105 0.000 2.415 542 E HA -0.043 4.307 4.350 -0.000 0.000 0.263 542 E C 0.869 177.439 176.600 -0.049 0.000 0.995 542 E CA 0.485 56.846 56.400 -0.065 0.000 0.915 542 E CB 1.250 30.924 29.700 -0.042 0.000 0.951 542 E HN 0.742 nan 8.360 nan 0.000 0.449 543 T N 4.205 118.739 114.554 -0.033 0.000 2.897 543 T HA -0.128 4.221 4.350 -0.000 0.000 0.271 543 T C 1.021 175.724 174.700 0.005 0.000 1.084 543 T CA 1.585 63.676 62.100 -0.016 0.000 1.123 543 T CB 0.068 68.944 68.868 0.012 0.000 0.865 543 T HN 0.385 nan 8.240 nan 0.000 0.496 544 N N 1.239 119.948 118.700 0.014 0.000 2.216 544 N HA -0.033 4.706 4.740 -0.000 0.000 0.183 544 N C 1.914 177.441 175.510 0.027 0.000 1.017 544 N CA 0.863 53.932 53.050 0.030 0.000 0.861 544 N CB -0.302 38.203 38.487 0.030 0.000 0.986 544 N HN 0.537 nan 8.380 nan 0.000 0.428 545 Q N 0.164 119.980 119.800 0.027 0.000 2.389 545 Q HA 0.244 4.584 4.340 -0.000 0.000 0.204 545 Q C 1.703 177.772 176.000 0.115 0.000 0.944 545 Q CA 0.508 56.358 55.803 0.078 0.000 0.908 545 Q CB -0.112 28.678 28.738 0.087 0.000 1.002 545 Q HN 0.363 nan 8.270 nan 0.000 0.493 546 A N 1.698 124.522 122.820 0.007 0.000 1.969 546 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 546 A C 2.084 179.595 177.584 -0.121 0.000 1.169 546 A CA 1.159 53.173 52.037 -0.039 0.000 0.635 546 A CB -0.221 18.716 19.000 -0.104 0.000 0.810 546 A HN 0.195 nan 8.150 nan 0.000 0.445 547 K N -0.010 120.268 120.400 -0.203 0.000 2.152 547 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 547 K C 1.043 177.486 176.600 -0.262 0.000 1.048 547 K CA 1.497 57.522 56.287 -0.437 0.000 0.933 547 K CB -0.108 32.258 32.500 -0.222 0.000 0.721 547 K HN 0.447 nan 8.250 nan 0.000 0.447 548 D N -0.660 119.700 120.400 -0.067 0.000 2.312 548 D HA -0.110 4.530 4.640 -0.000 0.000 0.211 548 D C 0.709 176.915 176.300 -0.155 0.000 0.964 548 D CA 1.065 55.019 54.000 -0.076 0.000 0.877 548 D CB 0.125 40.891 40.800 -0.057 0.000 0.924 548 D HN 0.324 nan 8.370 nan 0.000 0.515 549 Y N -0.082 120.160 120.300 -0.096 0.000 2.524 549 Y HA 0.293 4.843 4.550 -0.000 0.000 0.266 549 Y C 1.620 177.486 175.900 -0.058 0.000 1.180 549 Y CA -0.126 57.944 58.100 -0.051 0.000 1.244 549 Y CB 0.684 39.118 38.460 -0.044 0.000 1.125 549 Y HN -0.037 nan 8.280 nan 0.000 0.524 550 G N 1.230 110.009 108.800 -0.035 0.000 2.160 550 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.251 550 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.251 550 G C -0.091 174.745 174.900 -0.106 0.000 1.008 550 G CA 0.073 45.146 45.100 -0.045 0.000 0.724 550 G HN 0.371 nan 8.290 nan 0.000 0.514 551 I N 0.752 121.180 120.570 -0.237 0.000 2.428 551 I HA 0.323 4.493 4.170 -0.000 0.000 0.279 551 I C -0.378 175.537 176.117 -0.336 0.000 1.040 551 I CA -0.909 60.304 61.300 -0.145 0.000 1.171 551 I CB 0.693 38.678 38.000 -0.024 0.000 1.312 551 I HN 0.031 nan 8.210 nan 0.000 0.470 552 Y N 6.255 126.436 120.300 -0.198 0.000 2.327 552 Y HA 0.473 5.022 4.550 -0.000 0.000 0.336 552 Y C 0.454 176.212 175.900 -0.238 0.000 1.035 552 Y CA -0.536 57.283 58.100 -0.468 0.000 1.165 552 Y CB 1.133 39.104 38.460 -0.816 0.000 1.181 552 Y HN 0.329 nan 8.280 nan 0.000 0.494 553 I N 4.742 125.315 120.570 0.005 0.000 2.382 553 I HA 0.278 4.448 4.170 -0.000 0.000 0.285 553 I C -0.751 175.554 176.117 0.314 0.000 1.007 553 I CA -0.891 60.490 61.300 0.136 0.000 1.142 553 I CB 1.149 39.189 38.000 0.068 0.000 1.289 553 I HN 0.267 nan 8.210 nan 0.000 0.453 554 V N 4.811 124.900 119.914 0.292 0.000 2.546 554 V HA 0.090 4.210 4.120 -0.000 0.000 0.284 554 V C 0.291 176.465 176.094 0.134 0.000 1.050 554 V CA -0.250 62.203 62.300 0.255 0.000 0.981 554 V CB 1.596 33.534 31.823 0.192 0.000 0.990 554 V HN 0.630 nan 8.190 nan 0.000 0.474 555 D N 4.510 124.976 120.400 0.111 0.000 2.393 555 D HA 0.170 4.810 4.640 -0.000 0.000 0.232 555 D C 0.718 177.049 176.300 0.051 0.000 1.192 555 D CA -0.132 53.918 54.000 0.084 0.000 0.882 555 D CB 0.469 41.345 40.800 0.127 0.000 1.038 555 D HN 0.356 nan 8.370 nan 0.000 0.499 556 R N 3.065 123.575 120.500 0.017 0.000 2.552 556 R HA 0.131 4.471 4.340 -0.000 0.000 0.314 556 R C 1.270 177.581 176.300 0.019 0.000 1.041 556 R CA -0.007 56.126 56.100 0.056 0.000 1.076 556 R CB 0.700 31.074 30.300 0.122 0.000 1.290 556 R HN 0.419 nan 8.270 nan 0.000 0.563 557 R N -1.118 119.296 120.500 -0.143 0.000 2.350 557 R HA 0.142 4.482 4.340 -0.000 0.000 0.199 557 R C 0.131 176.136 176.300 -0.491 0.000 0.876 557 R CA 0.388 56.247 56.100 -0.403 0.000 1.062 557 R CB 0.479 30.303 30.300 -0.794 0.000 1.263 557 R HN -0.035 nan 8.270 nan 0.000 0.641 558 F N 1.196 121.180 119.950 0.058 0.000 2.698 558 F HA 0.497 5.023 4.527 -0.000 0.000 0.304 558 F C -0.400 175.425 175.800 0.042 0.000 1.108 558 F CA -0.317 57.711 58.000 0.046 0.000 1.263 558 F CB 0.788 39.804 39.000 0.027 0.000 1.013 558 F HN -0.271 nan 8.300 nan 0.000 0.532 559 K N 0.373 120.863 120.400 0.150 0.000 2.385 559 K HA 0.776 5.096 4.320 -0.000 0.000 0.248 559 K C -0.298 176.347 176.600 0.075 0.000 0.955 559 K CA -1.020 55.330 56.287 0.105 0.000 0.816 559 K CB 2.466 35.013 32.500 0.079 0.000 1.250 559 K HN -0.037 nan 8.250 nan 0.000 0.434 560 A N 2.432 125.288 122.820 0.061 0.000 2.425 560 A HA 0.197 4.517 4.320 -0.000 0.000 0.242 560 A C -1.725 175.877 177.584 0.030 0.000 1.077 560 A CA -0.964 51.100 52.037 0.045 0.000 0.781 560 A CB -0.239 18.783 19.000 0.038 0.000 1.020 560 A HN 0.477 nan 8.150 nan 0.000 0.494 561 P HA -0.225 nan 4.420 nan 0.000 0.218 561 P C 0.890 178.189 177.300 -0.001 0.000 1.154 561 P CA 2.050 65.150 63.100 0.000 0.000 0.872 561 P CB 0.143 31.832 31.700 -0.017 0.000 0.790 562 D N -0.873 119.527 120.400 -0.000 0.000 2.178 562 D HA -0.149 4.491 4.640 -0.000 0.000 0.202 562 D C 1.795 178.091 176.300 -0.007 0.000 0.974 562 D CA 0.929 54.925 54.000 -0.006 0.000 0.841 562 D CB -0.241 40.556 40.800 -0.005 0.000 0.953 562 D HN 0.185 nan 8.370 nan 0.000 0.478 563 E N -0.452 119.749 120.200 0.002 0.000 2.150 563 E HA -0.100 4.249 4.350 -0.000 0.000 0.193 563 E C 2.080 178.674 176.600 -0.011 0.000 0.985 563 E CA 0.814 57.213 56.400 -0.001 0.000 0.814 563 E CB 0.129 29.839 29.700 0.016 0.000 0.752 563 E HN 0.204 nan 8.360 nan 0.000 0.466 564 S N 0.420 116.120 115.700 0.000 0.000 2.345 564 S HA -0.127 4.343 4.470 -0.000 0.000 0.220 564 S C 2.249 176.839 174.600 -0.018 0.000 1.031 564 S CA 0.950 59.150 58.200 -0.000 0.000 0.996 564 S CB -0.236 62.978 63.200 0.022 0.000 0.882 564 S HN 0.061 nan 8.310 nan 0.000 0.445 565 V N 2.529 122.434 119.914 -0.014 0.000 2.324 565 V HA -0.196 3.923 4.120 -0.000 0.000 0.250 565 V C 2.554 178.627 176.094 -0.035 0.000 1.060 565 V CA 1.704 63.992 62.300 -0.020 0.000 1.042 565 V CB -0.678 31.131 31.823 -0.022 0.000 0.650 565 V HN 0.399 nan 8.190 nan 0.000 0.450 566 E N -0.307 119.869 120.200 -0.041 0.000 2.106 566 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 566 E C 2.210 178.751 176.600 -0.098 0.000 0.984 566 E CA 1.280 57.649 56.400 -0.051 0.000 0.806 566 E CB -0.224 29.453 29.700 -0.039 0.000 0.750 566 E HN 0.722 nan 8.360 nan 0.000 0.458 567 Q N 0.262 119.983 119.800 -0.132 0.000 2.046 567 Q HA -0.153 4.186 4.340 -0.000 0.000 0.200 567 Q C 2.302 178.066 176.000 -0.394 0.000 0.975 567 Q CA 0.819 56.451 55.803 -0.285 0.000 0.836 567 Q CB -0.073 28.515 28.738 -0.250 0.000 0.896 567 Q HN 0.145 nan 8.270 nan 0.000 0.428 568 L N 0.287 121.408 121.223 -0.169 0.000 2.013 568 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 568 L C 2.205 179.059 176.870 -0.026 0.000 1.073 568 L CA 1.644 56.462 54.840 -0.036 0.000 0.753 568 L CB -0.783 41.291 42.059 0.025 0.000 0.890 568 L HN 0.097 nan 8.230 nan 0.000 0.432 569 V N -0.243 119.648 119.914 -0.039 0.000 2.407 569 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 569 V C 2.283 178.375 176.094 -0.004 0.000 1.055 569 V CA 1.797 64.094 62.300 -0.005 0.000 1.049 569 V CB -0.891 30.927 31.823 -0.008 0.000 0.662 569 V HN 0.436 nan 8.190 nan 0.000 0.455 570 D N -0.755 119.603 120.400 -0.071 0.000 2.123 570 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 570 D C 2.066 178.387 176.300 0.035 0.000 0.992 570 D CA 1.631 55.597 54.000 -0.056 0.000 0.833 570 D CB -0.344 40.366 40.800 -0.150 0.000 0.954 570 D HN 0.577 nan 8.370 nan 0.000 0.455 571 Y N 0.334 120.623 120.300 -0.018 0.000 2.114 571 Y HA -0.201 4.349 4.550 -0.000 0.000 0.284 571 Y C 2.723 178.525 175.900 -0.163 0.000 1.143 571 Y CA 0.534 58.557 58.100 -0.128 0.000 1.135 571 Y CB -0.201 38.113 38.460 -0.243 0.000 0.980 571 Y HN -0.097 nan 8.280 nan 0.000 0.499 572 M N 0.008 119.653 119.600 0.075 0.000 2.073 572 M HA -0.302 4.177 4.480 -0.000 0.000 0.258 572 M C 2.220 178.655 176.300 0.226 0.000 1.070 572 M CA 2.002 57.385 55.300 0.139 0.000 1.103 572 M CB -0.442 32.298 32.600 0.233 0.000 1.321 572 M HN 0.266 nan 8.290 nan 0.000 0.405 573 E N 0.432 120.721 120.200 0.149 0.000 2.118 573 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 573 E C 1.894 178.569 176.600 0.125 0.000 0.992 573 E CA 1.548 58.019 56.400 0.119 0.000 0.804 573 E CB -0.056 29.687 29.700 0.072 0.000 0.741 573 E HN 0.530 nan 8.360 nan 0.000 0.458 574 E N -0.513 119.774 120.200 0.144 0.000 2.077 574 E HA -0.213 4.136 4.350 -0.000 0.000 0.193 574 E C 1.871 178.569 176.600 0.163 0.000 0.989 574 E CA 1.073 57.565 56.400 0.153 0.000 0.800 574 E CB -0.236 29.593 29.700 0.216 0.000 0.746 574 E HN 0.349 nan 8.360 nan 0.000 0.452 575 F N 0.893 120.865 119.950 0.037 0.000 2.102 575 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 575 F C 2.118 177.967 175.800 0.081 0.000 1.105 575 F CA 1.270 59.296 58.000 0.043 0.000 1.239 575 F CB -0.316 38.648 39.000 -0.060 0.000 0.991 575 F HN -0.131 nan 8.300 nan 0.000 0.474 576 V N 0.554 120.603 119.914 0.226 0.000 2.568 576 V HA -0.316 3.804 4.120 -0.000 0.000 0.253 576 V C 2.201 178.269 176.094 -0.042 0.000 1.072 576 V CA 2.022 64.378 62.300 0.093 0.000 1.084 576 V CB -0.746 31.148 31.823 0.118 0.000 0.676 576 V HN 0.310 nan 8.190 nan 0.000 0.469 577 K N -0.170 120.213 120.400 -0.028 0.000 2.288 577 K HA -0.022 4.298 4.320 -0.000 0.000 0.201 577 K C 0.805 177.353 176.600 -0.087 0.000 1.048 577 K CA 0.307 56.569 56.287 -0.043 0.000 0.956 577 K CB 0.001 32.497 32.500 -0.006 0.000 0.746 577 K HN 0.460 nan 8.250 nan 0.000 0.461 578 K N 1.825 122.131 120.400 -0.157 0.000 2.469 578 K HA -0.039 4.280 4.320 -0.000 0.000 0.274 578 K C 0.571 177.072 176.600 -0.165 0.000 0.983 578 K CA 0.249 56.425 56.287 -0.186 0.000 0.974 578 K CB 0.524 32.824 32.500 -0.333 0.000 0.913 578 K HN 0.152 nan 8.250 nan 0.000 0.493 579 T N -1.175 113.310 114.554 -0.114 0.000 2.788 579 T HA 0.111 4.460 4.350 -0.000 0.000 0.280 579 T C 1.251 175.893 174.700 -0.097 0.000 0.984 579 T CA -0.618 61.428 62.100 -0.091 0.000 0.972 579 T CB 1.225 70.058 68.868 -0.059 0.000 1.039 579 T HN 0.704 nan 8.240 nan 0.000 0.530 580 R N 0.059 120.518 120.500 -0.068 0.000 2.081 580 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 580 R C 2.625 178.908 176.300 -0.028 0.000 1.131 580 R CA 1.232 57.307 56.100 -0.042 0.000 0.960 580 R CB -0.261 30.029 30.300 -0.017 0.000 0.856 580 R HN 0.761 nan 8.270 nan 0.000 0.436 581 R N 0.233 120.716 120.500 -0.028 0.000 2.096 581 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 581 R C 2.244 178.532 176.300 -0.020 0.000 1.127 581 R CA 2.027 58.116 56.100 -0.019 0.000 0.968 581 R CB -0.024 30.265 30.300 -0.018 0.000 0.861 581 R HN 0.413 nan 8.270 nan 0.000 0.440 582 Q N -0.567 119.211 119.800 -0.037 0.000 2.079 582 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 582 Q C 2.187 178.167 176.000 -0.034 0.000 0.974 582 Q CA 1.342 57.122 55.803 -0.038 0.000 0.840 582 Q CB 0.045 28.749 28.738 -0.056 0.000 0.898 582 Q HN 0.295 nan 8.270 nan 0.000 0.430 583 R N 0.282 120.745 120.500 -0.062 0.000 2.081 583 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 583 R C 2.265 178.585 176.300 0.032 0.000 1.131 583 R CA 1.261 57.345 56.100 -0.028 0.000 0.960 583 R CB -0.389 29.883 30.300 -0.047 0.000 0.856 583 R HN 0.295 nan 8.270 nan 0.000 0.436 584 I N 1.058 121.637 120.570 0.014 0.000 2.163 584 I HA -0.314 3.855 4.170 -0.000 0.000 0.243 584 I C 2.188 178.332 176.117 0.045 0.000 1.085 584 I CA 1.312 62.621 61.300 0.014 0.000 1.347 584 I CB -0.475 37.527 38.000 0.003 0.000 1.044 584 I HN 0.278 nan 8.210 nan 0.000 0.408 585 N N 0.321 119.043 118.700 0.038 0.000 2.043 585 N HA -0.286 4.454 4.740 -0.000 0.000 0.193 585 N C 1.941 177.486 175.510 0.060 0.000 1.037 585 N CA 1.609 54.687 53.050 0.046 0.000 0.851 585 N CB -0.156 38.339 38.487 0.013 0.000 1.027 585 N HN 0.449 nan 8.380 nan 0.000 0.422 586 Q N 1.230 121.063 119.800 0.055 0.000 2.061 586 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 586 Q C 2.025 178.097 176.000 0.120 0.000 0.984 586 Q CA 1.331 57.176 55.803 0.069 0.000 0.846 586 Q CB 0.061 28.870 28.738 0.119 0.000 0.902 586 Q HN 0.284 nan 8.270 nan 0.000 0.421 587 R N 0.028 120.622 120.500 0.157 0.000 2.105 587 R HA -0.122 4.218 4.340 -0.000 0.000 0.239 587 R C 1.972 178.478 176.300 0.344 0.000 1.135 587 R CA 1.325 57.561 56.100 0.227 0.000 0.967 587 R CB -0.276 30.134 30.300 0.184 0.000 0.861 587 R HN 0.386 nan 8.270 nan 0.000 0.442 588 N N 0.739 119.645 118.700 0.344 0.000 2.120 588 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 588 N C 1.664 177.371 175.510 0.329 0.000 1.024 588 N CA 1.438 54.781 53.050 0.489 0.000 0.852 588 N CB -0.323 38.429 38.487 0.441 0.000 1.003 588 N HN 0.210 nan 8.380 nan 0.000 0.424 589 A N 0.493 123.401 122.820 0.146 0.000 1.858 589 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 589 A C 2.436 180.097 177.584 0.127 0.000 1.190 589 A CA 2.542 54.586 52.037 0.013 0.000 0.617 589 A CB -1.405 17.457 19.000 -0.230 0.000 0.827 589 A HN 0.467 nan 8.150 nan 0.000 0.443 590 T N -0.826 113.809 114.554 0.136 0.000 2.788 590 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 590 T C 1.755 176.521 174.700 0.110 0.000 1.044 590 T CA 2.095 64.290 62.100 0.158 0.000 1.139 590 T CB -0.369 68.580 68.868 0.135 0.000 0.867 590 T HN 0.562 nan 8.240 nan 0.000 0.454 591 E N 1.931 122.157 120.200 0.044 0.000 2.118 591 E HA 0.004 4.354 4.350 -0.000 0.000 0.195 591 E C 2.199 178.817 176.600 0.030 0.000 0.992 591 E CA 1.618 57.937 56.400 -0.136 0.000 0.804 591 E CB -1.033 28.293 29.700 -0.623 0.000 0.741 591 E HN 0.647 nan 8.360 nan 0.000 0.458 592 A N 0.505 123.428 122.820 0.173 0.000 2.121 592 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 592 A C 2.133 179.801 177.584 0.140 0.000 1.154 592 A CA 1.017 53.165 52.037 0.185 0.000 0.679 592 A CB -0.583 18.521 19.000 0.173 0.000 0.795 592 A HN 0.380 nan 8.150 nan 0.000 0.458 593 L N -0.339 120.972 121.223 0.146 0.000 2.551 593 L HA -0.076 4.264 4.340 -0.000 0.000 0.228 593 L C 2.401 179.320 176.870 0.082 0.000 1.153 593 L CA 0.555 55.463 54.840 0.114 0.000 0.851 593 L CB -0.311 41.826 42.059 0.131 0.000 0.959 593 L HN 0.305 nan 8.230 nan 0.000 0.451 594 S N 0.054 115.790 115.700 0.061 0.000 2.374 594 S HA -0.214 4.255 4.470 -0.000 0.000 0.227 594 S C 1.443 176.061 174.600 0.029 0.000 1.037 594 S CA 1.524 59.743 58.200 0.033 0.000 1.024 594 S CB -0.233 62.964 63.200 -0.005 0.000 0.861 594 S HN 0.476 nan 8.310 nan 0.000 0.456 595 D N 1.493 121.914 120.400 0.035 0.000 2.182 595 D HA -0.054 4.586 4.640 -0.000 0.000 0.201 595 D C 1.718 178.034 176.300 0.027 0.000 0.986 595 D CA 0.662 54.677 54.000 0.026 0.000 0.847 595 D CB -0.359 40.459 40.800 0.030 0.000 0.942 595 D HN 0.344 nan 8.370 nan 0.000 0.467 596 L N -0.251 120.999 121.223 0.044 0.000 2.265 596 L HA -0.091 4.249 4.340 -0.000 0.000 0.215 596 L C 1.809 178.709 176.870 0.049 0.000 1.117 596 L CA 0.670 55.548 54.840 0.064 0.000 0.782 596 L CB -0.178 41.935 42.059 0.090 0.000 0.914 596 L HN 0.075 nan 8.230 nan 0.000 0.441 597 L N -1.773 119.466 121.223 0.026 0.000 2.693 597 L HA 0.187 4.526 4.340 -0.000 0.000 0.235 597 L C 0.554 177.340 176.870 -0.140 0.000 1.127 597 L CA -0.271 54.559 54.840 -0.018 0.000 0.914 597 L CB 0.119 42.228 42.059 0.083 0.000 1.193 597 L HN 0.065 nan 8.230 nan 0.000 0.502 598 D N -0.484 119.859 120.400 -0.094 0.000 2.341 598 D HA -0.042 4.598 4.640 -0.000 0.000 0.245 598 D C 0.506 176.745 176.300 -0.102 0.000 1.106 598 D CA -0.153 53.792 54.000 -0.092 0.000 0.905 598 D CB 1.171 41.961 40.800 -0.017 0.000 1.202 598 D HN 0.051 nan 8.370 nan 0.000 0.426 599 W N 2.113 123.377 121.300 -0.059 0.000 2.364 599 W HA -0.108 4.552 4.660 -0.000 0.000 0.281 599 W C 2.264 178.739 176.519 -0.073 0.000 1.219 599 W CA 0.161 57.452 57.345 -0.090 0.000 1.220 599 W CB 0.177 29.559 29.460 -0.130 0.000 1.127 599 W HN 0.408 nan 8.180 nan 0.000 0.556 600 K N -0.093 120.406 120.400 0.164 0.000 2.281 600 K HA -0.195 4.125 4.320 -0.000 0.000 0.203 600 K C 1.992 178.638 176.600 0.076 0.000 1.046 600 K CA 1.191 57.531 56.287 0.088 0.000 0.938 600 K CB -0.132 32.394 32.500 0.045 0.000 0.737 600 K HN 0.184 nan 8.250 nan 0.000 0.458 601 R N -0.301 120.242 120.500 0.071 0.000 2.164 601 R HA 0.102 4.441 4.340 -0.000 0.000 0.198 601 R C 1.915 178.260 176.300 0.075 0.000 1.028 601 R CA 0.198 56.333 56.100 0.057 0.000 1.083 601 R CB 0.262 30.582 30.300 0.033 0.000 1.026 601 R HN 0.007 nan 8.270 nan 0.000 0.514 602 M N 0.230 119.866 119.600 0.060 0.000 2.319 602 M HA 0.082 4.562 4.480 -0.000 0.000 0.265 602 M C 2.069 178.550 176.300 0.301 0.000 1.068 602 M CA 1.275 56.615 55.300 0.066 0.000 1.118 602 M CB -0.772 31.687 32.600 -0.235 0.000 1.395 602 M HN 0.330 nan 8.290 nan 0.000 0.435 603 G N 0.502 109.523 108.800 0.367 0.000 2.471 603 G HA2 -0.083 3.876 3.960 -0.000 0.000 0.219 603 G HA3 -0.083 3.876 3.960 -0.000 0.000 0.219 603 G C 1.674 176.713 174.900 0.231 0.000 1.125 603 G CA 0.239 45.517 45.100 0.296 0.000 0.775 603 G HN 0.400 nan 8.290 nan 0.000 0.548 604 L N 0.238 121.567 121.223 0.177 0.000 2.083 604 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 604 L C 2.773 179.735 176.870 0.154 0.000 1.083 604 L CA 0.846 55.766 54.840 0.134 0.000 0.752 604 L CB -0.271 41.843 42.059 0.092 0.000 0.899 604 L HN 0.094 nan 8.230 nan 0.000 0.433 605 E N -0.326 119.983 120.200 0.181 0.000 2.110 605 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 605 E C 2.096 178.785 176.600 0.148 0.000 0.988 605 E CA 1.385 57.866 56.400 0.136 0.000 0.804 605 E CB -0.476 29.288 29.700 0.106 0.000 0.745 605 E HN 0.523 nan 8.360 nan 0.000 0.458 606 Y N 0.633 121.000 120.300 0.111 0.000 2.224 606 Y HA -0.200 4.350 4.550 -0.000 0.000 0.289 606 Y C 2.463 178.439 175.900 0.126 0.000 1.146 606 Y CA 0.875 59.052 58.100 0.128 0.000 1.182 606 Y CB -0.139 38.386 38.460 0.108 0.000 0.983 606 Y HN -0.132 nan 8.280 nan 0.000 0.524 607 V N 0.138 120.204 119.914 0.254 0.000 2.295 607 V HA -0.328 3.792 4.120 -0.000 0.000 0.246 607 V C 2.081 178.261 176.094 0.144 0.000 1.049 607 V CA 1.951 64.368 62.300 0.195 0.000 1.024 607 V CB -0.526 31.383 31.823 0.144 0.000 0.648 607 V HN 0.358 nan 8.190 nan 0.000 0.447 608 K N 0.279 120.743 120.400 0.105 0.000 2.063 608 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 608 K C 2.293 178.913 176.600 0.032 0.000 1.048 608 K CA 1.563 57.888 56.287 0.065 0.000 0.928 608 K CB -0.446 32.078 32.500 0.042 0.000 0.713 608 K HN 0.492 nan 8.250 nan 0.000 0.442 609 A N 1.552 124.377 122.820 0.008 0.000 1.933 609 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 609 A C 2.023 179.599 177.584 -0.014 0.000 1.175 609 A CA 1.295 53.303 52.037 -0.048 0.000 0.628 609 A CB -0.326 18.593 19.000 -0.135 0.000 0.814 609 A HN 0.221 nan 8.150 nan 0.000 0.444 610 R N -0.981 119.557 120.500 0.064 0.000 2.115 610 R HA -0.058 4.282 4.340 -0.000 0.000 0.226 610 R C 2.289 178.633 176.300 0.073 0.000 1.100 610 R CA 1.081 57.236 56.100 0.092 0.000 0.980 610 R CB -0.218 30.210 30.300 0.213 0.000 0.875 610 R HN 0.498 nan 8.270 nan 0.000 0.445 611 Q N 0.730 120.591 119.800 0.102 0.000 2.079 611 Q HA -0.130 4.209 4.340 -0.000 0.000 0.200 611 Q C 2.179 178.194 176.000 0.025 0.000 0.974 611 Q CA 1.048 56.936 55.803 0.141 0.000 0.840 611 Q CB -0.331 28.516 28.738 0.182 0.000 0.898 611 Q HN 0.201 nan 8.270 nan 0.000 0.430 612 L N 0.798 122.003 121.223 -0.029 0.000 2.046 612 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 612 L C 2.112 178.914 176.870 -0.112 0.000 1.077 612 L CA 2.080 56.857 54.840 -0.105 0.000 0.747 612 L CB -0.907 41.105 42.059 -0.078 0.000 0.896 612 L HN 0.134 nan 8.230 nan 0.000 0.432 613 A N -1.008 121.775 122.820 -0.062 0.000 1.933 613 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 613 A C 2.107 179.665 177.584 -0.043 0.000 1.175 613 A CA 1.697 53.701 52.037 -0.055 0.000 0.628 613 A CB -0.737 18.246 19.000 -0.029 0.000 0.814 613 A HN 0.404 nan 8.150 nan 0.000 0.444 614 L N -0.301 120.931 121.223 0.014 0.000 2.056 614 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 614 L C 2.516 179.432 176.870 0.076 0.000 1.078 614 L CA 2.178 57.102 54.840 0.141 0.000 0.749 614 L CB -1.116 41.085 42.059 0.236 0.000 0.901 614 L HN 0.546 nan 8.230 nan 0.000 0.433 615 R N -0.028 120.309 120.500 -0.272 0.000 2.096 615 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 615 R C 2.288 178.394 176.300 -0.323 0.000 1.127 615 R CA 1.435 57.102 56.100 -0.722 0.000 0.968 615 R CB -0.222 29.384 30.300 -1.157 0.000 0.861 615 R HN 0.262 nan 8.270 nan 0.000 0.440 616 R N -0.996 119.367 120.500 -0.227 0.000 2.093 616 R HA 0.117 4.457 4.340 -0.000 0.000 0.224 616 R C 2.282 178.464 176.300 -0.197 0.000 1.101 616 R CA 1.121 57.117 56.100 -0.174 0.000 0.979 616 R CB -0.371 29.845 30.300 -0.141 0.000 0.877 616 R HN 0.442 nan 8.270 nan 0.000 0.441 617 G N -0.232 108.406 108.800 -0.270 0.000 2.421 617 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.217 617 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.217 617 G C 0.242 174.677 174.900 -0.776 0.000 1.143 617 G CA 0.491 45.247 45.100 -0.573 0.000 0.784 617 G HN 0.294 nan 8.290 nan 0.000 0.541 618 Y N -0.067 120.253 120.300 0.033 0.000 2.490 618 Y HA 0.322 4.872 4.550 -0.000 0.000 0.346 618 Y C -1.847 174.113 175.900 0.100 0.000 1.023 618 Y CA -1.901 56.242 58.100 0.071 0.000 1.142 618 Y CB 1.805 40.326 38.460 0.102 0.000 1.126 618 Y HN 0.028 nan 8.280 nan 0.000 0.647 619 P HA -0.150 nan 4.420 nan 0.000 0.215 619 P C 0.971 178.365 177.300 0.157 0.000 1.157 619 P CA 1.690 64.851 63.100 0.101 0.000 0.868 619 P CB 0.532 32.251 31.700 0.032 0.000 0.788 620 D N -0.386 120.098 120.400 0.139 0.000 2.087 620 D HA -0.180 4.460 4.640 -0.000 0.000 0.192 620 D C 2.113 178.494 176.300 0.135 0.000 0.993 620 D CA 1.269 55.339 54.000 0.118 0.000 0.828 620 D CB -0.777 40.079 40.800 0.094 0.000 0.968 620 D HN 0.323 nan 8.370 nan 0.000 0.448 621 Q N -0.402 119.492 119.800 0.157 0.000 2.096 621 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 621 Q C 2.231 178.310 176.000 0.131 0.000 0.982 621 Q CA 0.899 56.772 55.803 0.115 0.000 0.850 621 Q CB -0.325 28.466 28.738 0.088 0.000 0.901 621 Q HN 0.235 nan 8.270 nan 0.000 0.422 622 F N 1.680 121.675 119.950 0.076 0.000 2.102 622 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 622 F C 2.648 178.473 175.800 0.042 0.000 1.105 622 F CA 1.752 59.789 58.000 0.062 0.000 1.239 622 F CB -0.099 38.944 39.000 0.072 0.000 0.991 622 F HN -0.095 nan 8.300 nan 0.000 0.474 623 R N 0.504 121.180 120.500 0.293 0.000 2.096 623 R HA -0.204 4.136 4.340 -0.000 0.000 0.240 623 R C 2.150 178.500 176.300 0.084 0.000 1.139 623 R CA 2.153 58.361 56.100 0.179 0.000 0.952 623 R CB -0.524 29.853 30.300 0.129 0.000 0.854 623 R HN 0.352 nan 8.270 nan 0.000 0.436 624 E N 0.008 120.242 120.200 0.058 0.000 2.204 624 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 624 E C 1.828 178.416 176.600 -0.020 0.000 0.989 624 E CA 0.741 57.152 56.400 0.018 0.000 0.824 624 E CB 0.025 29.735 29.700 0.017 0.000 0.756 624 E HN 0.243 nan 8.360 nan 0.000 0.477 625 L N -0.062 121.123 121.223 -0.063 0.000 2.156 625 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 625 L C 1.903 178.692 176.870 -0.136 0.000 1.095 625 L CA 1.207 55.965 54.840 -0.137 0.000 0.770 625 L CB 0.278 42.174 42.059 -0.271 0.000 0.914 625 L HN -0.086 nan 8.230 nan 0.000 0.439 626 V N -1.739 118.114 119.914 -0.103 0.000 3.570 626 V HA 0.426 4.546 4.120 -0.000 0.000 0.257 626 V C 1.617 177.712 176.094 0.002 0.000 1.272 626 V CA 0.701 62.969 62.300 -0.054 0.000 1.079 626 V CB 0.397 32.213 31.823 -0.012 0.000 0.829 626 V HN 0.512 nan 8.190 nan 0.000 0.454 627 G N 0.831 109.641 108.800 0.017 0.000 2.194 627 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.236 627 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.236 627 G C -0.015 174.908 174.900 0.039 0.000 0.987 627 G CA 0.296 45.410 45.100 0.023 0.000 0.635 627 G HN 0.546 nan 8.290 nan 0.000 0.520 628 E N -0.702 119.535 120.200 0.061 0.000 2.446 628 E HA 0.562 4.911 4.350 -0.000 0.000 0.276 628 E C -1.128 175.525 176.600 0.088 0.000 0.969 628 E CA -1.060 55.379 56.400 0.064 0.000 0.800 628 E CB 1.367 31.101 29.700 0.056 0.000 1.341 628 E HN 0.051 nan 8.360 nan 0.000 0.460 629 E N 1.612 121.852 120.200 0.066 0.000 1.993 629 E HA 0.222 4.572 4.350 -0.000 0.000 0.271 629 E C -1.217 175.411 176.600 0.047 0.000 1.008 629 E CA -0.156 56.281 56.400 0.060 0.000 0.814 629 E CB 0.093 29.815 29.700 0.037 0.000 1.098 629 E HN 0.326 nan 8.360 nan 0.000 0.407 630 L N 3.179 124.438 121.223 0.059 0.000 2.418 630 L HA 0.296 4.636 4.340 -0.000 0.000 0.265 630 L C 0.784 177.647 176.870 -0.013 0.000 1.143 630 L CA -0.879 53.983 54.840 0.038 0.000 0.809 630 L CB 0.520 42.628 42.059 0.082 0.000 1.124 630 L HN 0.485 nan 8.230 nan 0.000 0.456 631 N N 2.287 120.982 118.700 -0.009 0.000 2.429 631 N HA -0.078 4.662 4.740 -0.000 0.000 0.271 631 N C 0.012 175.492 175.510 -0.050 0.000 1.272 631 N CA 0.078 53.114 53.050 -0.023 0.000 0.921 631 N CB 0.424 38.905 38.487 -0.009 0.000 1.128 631 N HN 0.581 nan 8.380 nan 0.000 0.481 632 D N 0.828 121.188 120.400 -0.066 0.000 2.424 632 D HA -0.014 4.625 4.640 -0.000 0.000 0.220 632 D C 0.623 176.884 176.300 -0.064 0.000 1.150 632 D CA -0.090 53.853 54.000 -0.094 0.000 0.831 632 D CB -0.308 40.416 40.800 -0.127 0.000 0.981 632 D HN 0.382 nan 8.370 nan 0.000 0.500 633 S N 0.156 115.832 115.700 -0.041 0.000 2.453 633 S HA -0.067 4.403 4.470 -0.000 0.000 0.231 633 S C 0.931 175.517 174.600 -0.023 0.000 1.005 633 S CA 0.235 58.419 58.200 -0.026 0.000 0.949 633 S CB -0.594 62.597 63.200 -0.014 0.000 0.774 633 S HN 0.644 nan 8.310 nan 0.000 0.510 634 N N -1.540 117.143 118.700 -0.028 0.000 3.227 634 N HA 0.240 4.980 4.740 -0.000 0.000 0.241 634 N C 0.210 175.700 175.510 -0.033 0.000 1.480 634 N CA -0.785 52.248 53.050 -0.028 0.000 0.886 634 N CB 0.426 38.903 38.487 -0.017 0.000 1.406 634 N HN -0.067 nan 8.380 nan 0.000 0.514 635 M N 0.446 120.025 119.600 -0.035 0.000 2.080 635 M HA -0.145 4.335 4.480 -0.000 0.000 0.260 635 M C 0.774 177.067 176.300 -0.012 0.000 1.068 635 M CA 2.071 57.353 55.300 -0.029 0.000 1.109 635 M CB -0.425 32.153 32.600 -0.036 0.000 1.342 635 M HN 0.524 nan 8.290 nan 0.000 0.405 636 D N 0.168 120.562 120.400 -0.009 0.000 2.117 636 D HA -0.068 4.572 4.640 -0.000 0.000 0.198 636 D C 1.987 178.288 176.300 0.001 0.000 0.982 636 D CA 1.574 55.574 54.000 -0.001 0.000 0.828 636 D CB -0.266 40.533 40.800 -0.002 0.000 0.967 636 D HN 0.338 nan 8.370 nan 0.000 0.464 637 A N 0.676 123.493 122.820 -0.005 0.000 1.940 637 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 637 A C 2.146 179.730 177.584 -0.001 0.000 1.176 637 A CA 1.126 53.161 52.037 -0.004 0.000 0.631 637 A CB -0.636 18.358 19.000 -0.010 0.000 0.814 637 A HN 0.271 nan 8.150 nan 0.000 0.446 638 L N -1.248 119.971 121.223 -0.007 0.000 2.109 638 L HA 0.128 4.468 4.340 -0.000 0.000 0.207 638 L C 2.408 179.300 176.870 0.036 0.000 1.086 638 L CA 2.132 56.972 54.840 -0.001 0.000 0.760 638 L CB -0.427 41.612 42.059 -0.033 0.000 0.910 638 L HN 0.304 nan 8.230 nan 0.000 0.437 639 A N -1.425 121.415 122.820 0.033 0.000 1.944 639 A HA 0.625 4.945 4.320 -0.000 0.000 0.207 639 A C 1.146 178.752 177.584 0.035 0.000 1.265 639 A CA 0.627 52.692 52.037 0.047 0.000 0.712 639 A CB -0.438 18.589 19.000 0.046 0.000 0.915 639 A HN 0.699 nan 8.150 nan 0.000 0.470 640 G N -2.740 106.075 108.800 0.024 0.000 2.459 640 G HA2 0.486 4.446 3.960 -0.000 0.000 0.685 640 G HA3 0.486 4.446 3.960 -0.000 0.000 0.685 640 G C 0.044 174.953 174.900 0.015 0.000 1.303 640 G CA -0.307 44.804 45.100 0.018 0.000 0.907 640 G HN 1.216 nan 8.290 nan 0.000 0.632 641 G N -1.083 107.722 108.800 0.009 0.000 2.795 641 G HA2 0.727 4.687 3.960 -0.000 0.000 0.267 641 G HA3 0.727 4.687 3.960 -0.000 0.000 0.267 641 G C -0.180 174.723 174.900 0.005 0.000 1.362 641 G CA -0.199 44.904 45.100 0.006 0.000 1.048 641 G HN 0.781 nan 8.290 nan 0.000 0.547 642 K N 0.271 120.672 120.400 0.000 0.000 3.513 642 K HA 0.103 4.423 4.320 -0.000 0.000 0.164 642 K C -0.447 176.144 176.600 -0.015 0.000 1.041 642 K CA -0.434 55.852 56.287 -0.002 0.000 0.761 642 K CB 0.691 33.197 32.500 0.010 0.000 0.811 642 K HN 0.257 nan 8.250 nan 0.000 0.510 643 K N 1.649 122.033 120.400 -0.025 0.000 2.160 643 K HA 0.018 4.338 4.320 -0.000 0.000 0.263 643 K C 0.237 176.805 176.600 -0.053 0.000 1.120 643 K CA 0.151 56.411 56.287 -0.045 0.000 1.115 643 K CB -0.285 32.189 32.500 -0.044 0.000 0.971 643 K HN 0.373 nan 8.250 nan 0.000 0.400 644 L N 2.559 123.743 121.223 -0.065 0.000 2.357 644 L HA 0.322 4.661 4.340 -0.000 0.000 0.273 644 L C 0.189 176.997 176.870 -0.104 0.000 1.080 644 L CA -0.005 54.794 54.840 -0.068 0.000 0.803 644 L CB 0.835 42.864 42.059 -0.049 0.000 1.174 644 L HN 0.398 nan 8.230 nan 0.000 0.443 645 K N 2.342 122.685 120.400 -0.095 0.000 2.571 645 K HA 0.666 4.986 4.320 -0.000 0.000 0.289 645 K C -1.928 174.605 176.600 -0.111 0.000 1.028 645 K CA -0.538 55.680 56.287 -0.116 0.000 0.895 645 K CB 2.345 34.785 32.500 -0.100 0.000 1.534 645 K HN 0.429 nan 8.250 nan 0.000 0.421 646 V N 0.000 119.832 119.914 -0.136 0.000 2.409 646 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 646 V CA 0.000 62.214 62.300 -0.143 0.000 1.235 646 V CB 0.000 31.675 31.823 -0.247 0.000 1.184 646 V HN 0.000 nan 8.190 nan 0.000 0.556