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 2r92_1_B DATA FIRST_RESID 19 DATA SEQUENCE EDESAPITAE DSWAVISAFF REKGLVSQQL DSFNQFVDYT LQDIICEDST DATA SEQUENCE LIXXXXXXXX XXXXXXXXXX XISFGKIYVT KPMVNESDGV THALYPQEAR DATA SEQUENCE LRNLTYSSGL FVDVKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXKVFIG DATA SEQUENCE RLPIMLRSKN CYLSEATESD LYKLKECPFD MGGYFIINGS EKVLIAQERS DATA SEQUENCE AGNIVQVFKK AAPSPISHVA EIRSALEKGS RFISTLQVKL YGREGSSART DATA SEQUENCE IKATLPYIKQ DIPIVIIFRA LGIIPDGEIL EHICYDVNDW QMLEMLKPCV DATA SEQUENCE EDGFVIQDRE TALDFIGRRG TALGIKKEKR IQYAKDILQK EFLPHITQLE DATA SEQUENCE GFESRKAFFL GYMINRLLLC ALDRKDQDDR DHFGKKRLDL AGPLLAQLFK DATA SEQUENCE TLFKKLTKDI FRYMQRTVEX XXXXXXXLAI NAKTITSGLK YALATGNWGE DATA SEQUENCE QKKAMSSRAG VSQVLNRYTY SSTLSHLRRT NTPIXXXXXX XKPRQLHNTH DATA SEQUENCE WGLVCPAETP EGQACGLVKN LSLMSCISVG TDPMPIITFL SEWGMEPLED DATA SEQUENCE YVPHQSPDAT RVFVNGVWHG VHRNPARLME TLRTLRRKGD INPEVSMIRD DATA SEQUENCE IREKELKIFT DAGRVYRPLF IVEDDESLGH KELKVRKGHI AKLMATEYQD DATA SEQUENCE XXXXXXXXXE YTWSSLLNEG LVEYIDAEEE ESILIAMQPE DLEPAEAXXX DATA SEQUENCE XXXDVDPAKR IRVSHHATTF THCEIHPSMI LGVAASIIPF PDHNQSPRNT DATA SEQUENCE YQSAMGKQAM GVFLTNYNVR MDTMANILYY PQKPLGTTRA MEYLKFRELP DATA SEQUENCE AGQNAIVAIA CYSGYNQEDS MIMNQSSIDR GLFRSLFFRS YMDQEKKYGM DATA SEQUENCE SITETFEKPQ RTNTLRMKHG TYDKLDDDGL IAPGVRVSGE DVIIGKTTPX DATA SEQUENCE XXXXXXXXXX XXXXSKRDAS TPLRSTENGI VDQVLVTTNQ DGLKFVKVRV DATA SEQUENCE RTTKIPQIGD KFASRHGQKG TIGITYRRED MPFTAEGIVP DLIINPHAIP DATA SEQUENCE SRMTVAHLIE CLLSKVAALS GNEGDASPFT DITVEGISKL LREHGYQSRG DATA SEQUENCE FEVMYNGHTG KKLMAQIFFG PTYYQRLRHM VDDKIHARAR GPMQVLTRQP DATA SEQUENCE VEGRSRDGGL RFGEMERDCM IAHGAASFLK ERLMEASDAF RVHICGICGL DATA SEQUENCE MTVIAKLNHN QFECKGCDNK IDIYQIHIPY AAKLLFQELM AMNITPRLYT DATA SEQUENCE DRSRDF 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 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.588 176.600 -0.020 0.000 1.382 19 E CA 0.000 56.391 56.400 -0.016 0.000 0.976 19 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 20 D N 2.332 122.719 120.400 -0.023 0.000 2.119 20 D HA -0.113 4.527 4.640 0.001 0.000 0.199 20 D C 0.243 176.519 176.300 -0.041 0.000 0.987 20 D CA 1.261 55.245 54.000 -0.026 0.000 0.858 20 D CB -0.302 40.480 40.800 -0.029 0.000 1.008 20 D HN 0.204 nan 8.370 nan 0.000 0.450 21 E N 1.475 121.640 120.200 -0.059 0.000 2.608 21 E HA 0.131 4.481 4.350 0.001 0.000 0.259 21 E C 0.138 176.696 176.600 -0.070 0.000 0.951 21 E CA 0.213 56.559 56.400 -0.090 0.000 0.945 21 E CB -0.029 29.615 29.700 -0.094 0.000 0.916 21 E HN 0.287 nan 8.360 nan 0.000 0.477 22 S N 0.705 116.359 115.700 -0.078 0.000 3.564 22 S HA -0.013 4.458 4.470 0.001 0.000 0.823 22 S C -0.286 174.298 174.600 -0.027 0.000 1.040 22 S CA 0.040 58.216 58.200 -0.039 0.000 1.205 22 S CB -1.144 62.034 63.200 -0.037 0.000 1.330 22 S HN 1.281 nan 8.310 nan 0.000 0.379 23 A N 3.332 126.140 122.820 -0.019 0.000 2.415 23 A HA 0.880 5.200 4.320 0.001 0.000 0.294 23 A C -3.007 174.565 177.584 -0.020 0.000 1.019 23 A CA -0.644 51.382 52.037 -0.017 0.000 0.603 23 A CB -0.058 18.935 19.000 -0.011 0.000 1.382 23 A HN 0.837 nan 8.150 nan 0.000 0.483 24 P HA 0.487 nan 4.420 nan 0.000 0.272 24 P C -0.740 176.549 177.300 -0.018 0.000 1.248 24 P CA 0.289 63.378 63.100 -0.020 0.000 0.799 24 P CB 0.350 32.047 31.700 -0.005 0.000 0.997 25 I N -0.190 120.366 120.570 -0.024 0.000 2.540 25 I HA 0.147 4.317 4.170 0.001 0.000 0.280 25 I C 1.066 177.187 176.117 0.008 0.000 1.083 25 I CA -0.599 60.692 61.300 -0.015 0.000 1.080 25 I CB 1.595 39.558 38.000 -0.062 0.000 1.205 25 I HN 0.306 nan 8.210 nan 0.000 0.459 26 T N 1.718 116.290 114.554 0.029 0.000 2.689 26 T HA 0.413 4.763 4.350 0.001 0.000 0.308 26 T C 1.459 176.197 174.700 0.064 0.000 1.021 26 T CA 0.188 62.314 62.100 0.044 0.000 0.973 26 T CB 1.070 69.971 68.868 0.054 0.000 1.113 26 T HN 0.523 nan 8.240 nan 0.000 0.522 27 A N 0.401 123.270 122.820 0.080 0.000 1.827 27 A HA -0.113 4.207 4.320 0.001 0.000 0.215 27 A C 2.213 179.851 177.584 0.090 0.000 1.212 27 A CA 2.110 54.204 52.037 0.095 0.000 0.624 27 A CB -1.716 17.365 19.000 0.136 0.000 0.853 27 A HN 1.024 nan 8.150 nan 0.000 0.450 28 E N 0.273 120.565 120.200 0.154 0.000 2.324 28 E HA -0.257 4.094 4.350 0.001 0.000 0.205 28 E C 1.407 178.137 176.600 0.218 0.000 1.031 28 E CA 1.795 58.338 56.400 0.238 0.000 0.836 28 E CB -0.339 29.487 29.700 0.210 0.000 0.742 28 E HN 0.616 nan 8.360 nan 0.000 0.491 29 D N -0.896 119.587 120.400 0.138 0.000 2.084 29 D HA -0.119 4.522 4.640 0.001 0.000 0.196 29 D C 1.906 178.292 176.300 0.144 0.000 0.985 29 D CA 1.522 55.604 54.000 0.137 0.000 0.826 29 D CB -0.315 40.541 40.800 0.093 0.000 0.978 29 D HN 0.186 nan 8.370 nan 0.000 0.456 30 S N 0.795 116.536 115.700 0.067 0.000 2.407 30 S HA -0.272 4.198 4.470 0.001 0.000 0.244 30 S C 1.801 176.415 174.600 0.022 0.000 1.077 30 S CA 1.676 59.886 58.200 0.018 0.000 1.159 30 S CB -1.179 61.881 63.200 -0.233 0.000 1.045 30 S HN 0.462 nan 8.310 nan 0.000 0.438 31 W N 1.681 123.071 121.300 0.149 0.000 2.290 31 W HA -0.254 4.406 4.660 0.001 0.000 0.318 31 W C 2.924 179.583 176.519 0.234 0.000 1.248 31 W CA 0.774 58.220 57.345 0.169 0.000 1.263 31 W CB -0.731 28.817 29.460 0.148 0.000 1.147 31 W HN 0.408 nan 8.180 nan 0.000 0.494 32 A N 0.130 123.211 122.820 0.435 0.000 1.927 32 A HA -0.261 4.060 4.320 0.001 0.000 0.220 32 A C 1.922 179.710 177.584 0.340 0.000 1.185 32 A CA 2.635 54.879 52.037 0.345 0.000 0.639 32 A CB -1.230 17.926 19.000 0.259 0.000 0.820 32 A HN 0.159 nan 8.150 nan 0.000 0.451 33 V N 0.190 120.298 119.914 0.323 0.000 2.261 33 V HA -0.286 3.834 4.120 0.001 0.000 0.246 33 V C 2.419 178.753 176.094 0.400 0.000 1.047 33 V CA 2.087 64.593 62.300 0.344 0.000 1.015 33 V CB -0.821 31.234 31.823 0.386 0.000 0.642 33 V HN 0.593 nan 8.190 nan 0.000 0.446 34 I N 0.266 121.045 120.570 0.348 0.000 2.226 34 I HA -0.229 3.942 4.170 0.001 0.000 0.245 34 I C 2.626 178.965 176.117 0.369 0.000 1.100 34 I CA 1.576 63.037 61.300 0.267 0.000 1.374 34 I CB -0.536 37.603 38.000 0.232 0.000 1.057 34 I HN 0.251 nan 8.210 nan 0.000 0.413 35 S N 0.803 116.860 115.700 0.596 0.000 2.387 35 S HA -0.231 4.240 4.470 0.001 0.000 0.230 35 S C 2.239 177.111 174.600 0.454 0.000 1.035 35 S CA 1.527 60.133 58.200 0.677 0.000 1.014 35 S CB -0.361 63.122 63.200 0.472 0.000 0.836 35 S HN 0.583 nan 8.310 nan 0.000 0.466 36 A N 1.193 124.247 122.820 0.390 0.000 1.930 36 A HA -0.026 4.295 4.320 0.001 0.000 0.217 36 A C 1.827 179.635 177.584 0.375 0.000 1.175 36 A CA 1.058 53.315 52.037 0.366 0.000 0.627 36 A CB -0.754 18.467 19.000 0.369 0.000 0.815 36 A HN 0.456 nan 8.150 nan 0.000 0.443 37 F N 0.560 120.524 119.950 0.022 0.000 2.011 37 F HA -0.213 4.314 4.527 0.001 0.000 0.296 37 F C 1.951 177.498 175.800 -0.422 0.000 1.144 37 F CA 1.428 59.066 58.000 -0.602 0.000 1.185 37 F CB -1.378 37.005 39.000 -1.029 0.000 0.961 37 F HN 0.294 nan 8.300 nan 0.000 0.485 38 F N 0.293 120.286 119.950 0.071 0.000 2.451 38 F HA -0.096 4.431 4.527 0.001 0.000 0.299 38 F C 2.468 178.323 175.800 0.091 0.000 1.101 38 F CA 0.632 58.614 58.000 -0.031 0.000 1.436 38 F CB -0.496 38.544 39.000 0.065 0.000 1.074 38 F HN -0.059 nan 8.300 nan 0.000 0.553 39 R N 0.273 120.951 120.500 0.296 0.000 2.105 39 R HA -0.198 4.143 4.340 0.001 0.000 0.239 39 R C 2.087 178.501 176.300 0.189 0.000 1.135 39 R CA 1.805 58.043 56.100 0.230 0.000 0.967 39 R CB -0.280 30.155 30.300 0.225 0.000 0.861 39 R HN 0.415 nan 8.270 nan 0.000 0.442 40 E N 0.023 120.338 120.200 0.191 0.000 2.132 40 E HA -0.046 4.305 4.350 0.001 0.000 0.193 40 E C 1.557 178.240 176.600 0.137 0.000 0.951 40 E CA 0.160 56.661 56.400 0.168 0.000 0.843 40 E CB 0.405 30.231 29.700 0.210 0.000 0.807 40 E HN 0.002 nan 8.360 nan 0.000 0.467 41 K N 0.364 120.837 120.400 0.121 0.000 2.005 41 K HA 0.086 4.407 4.320 0.001 0.000 0.206 41 K C 0.824 177.472 176.600 0.080 0.000 1.044 41 K CA 1.104 57.446 56.287 0.090 0.000 0.942 41 K CB -0.408 32.129 32.500 0.061 0.000 0.727 41 K HN 0.282 nan 8.250 nan 0.000 0.439 42 G N 0.788 109.662 108.800 0.122 0.000 2.777 42 G HA2 -0.202 3.759 3.960 0.001 0.000 0.686 42 G HA3 -0.202 3.759 3.960 0.001 0.000 0.686 42 G C 0.466 175.383 174.900 0.030 0.000 1.177 42 G CA -0.263 44.893 45.100 0.093 0.000 0.775 42 G HN 0.156 nan 8.290 nan 0.000 0.613 43 L N 0.882 122.068 121.223 -0.062 0.000 2.261 43 L HA -0.091 4.249 4.340 0.001 0.000 0.216 43 L C 2.685 179.510 176.870 -0.075 0.000 1.114 43 L CA 1.691 56.453 54.840 -0.131 0.000 0.777 43 L CB -0.551 41.383 42.059 -0.208 0.000 0.910 43 L HN 0.831 nan 8.230 nan 0.000 0.440 44 V N -4.646 115.246 119.914 -0.038 0.000 3.647 44 V HA 0.072 4.192 4.120 0.001 0.000 0.279 44 V C 2.179 178.263 176.094 -0.016 0.000 1.314 44 V CA 0.340 62.623 62.300 -0.029 0.000 1.125 44 V CB -0.309 31.507 31.823 -0.012 0.000 0.907 44 V HN 0.449 nan 8.190 nan 0.000 0.434 45 S N 3.118 118.813 115.700 -0.008 0.000 2.433 45 S HA -0.524 3.946 4.470 0.001 0.000 0.270 45 S C 1.948 176.549 174.600 0.002 0.000 1.068 45 S CA 2.864 61.069 58.200 0.008 0.000 1.375 45 S CB -1.440 61.764 63.200 0.007 0.000 1.255 45 S HN 0.876 nan 8.310 nan 0.000 0.442 46 Q N 0.710 120.496 119.800 -0.023 0.000 2.096 46 Q HA -0.371 3.969 4.340 0.001 0.000 0.218 46 Q C 2.219 178.220 176.000 0.003 0.000 1.069 46 Q CA 2.087 57.872 55.803 -0.029 0.000 0.927 46 Q CB -1.017 27.687 28.738 -0.056 0.000 1.064 46 Q HN 0.624 nan 8.270 nan 0.000 0.445 47 Q N 0.558 120.356 119.800 -0.004 0.000 2.133 47 Q HA -0.124 4.217 4.340 0.001 0.000 0.208 47 Q C 2.276 178.295 176.000 0.033 0.000 0.991 47 Q CA 1.711 57.519 55.803 0.009 0.000 0.867 47 Q CB -0.342 28.386 28.738 -0.016 0.000 0.911 47 Q HN 0.526 nan 8.270 nan 0.000 0.417 48 L N 0.622 121.861 121.223 0.027 0.000 1.925 48 L HA -0.208 4.132 4.340 0.001 0.000 0.214 48 L C 2.061 178.992 176.870 0.102 0.000 1.091 48 L CA 1.190 56.063 54.840 0.055 0.000 0.768 48 L CB -0.899 41.181 42.059 0.036 0.000 0.887 48 L HN 0.128 nan 8.230 nan 0.000 0.433 49 D N -0.135 120.306 120.400 0.069 0.000 2.347 49 D HA -0.309 4.331 4.640 0.001 0.000 0.189 49 D C 2.207 178.551 176.300 0.073 0.000 1.020 49 D CA 2.189 56.225 54.000 0.061 0.000 0.875 49 D CB -0.435 40.397 40.800 0.055 0.000 0.928 49 D HN 0.271 nan 8.370 nan 0.000 0.454 50 S N -1.024 114.735 115.700 0.097 0.000 2.419 50 S HA -0.165 4.306 4.470 0.001 0.000 0.233 50 S C 1.665 176.403 174.600 0.229 0.000 1.016 50 S CA 0.593 58.870 58.200 0.128 0.000 0.974 50 S CB -0.291 62.977 63.200 0.113 0.000 0.786 50 S HN 0.227 nan 8.310 nan 0.000 0.492 51 F N 2.984 122.975 119.950 0.068 0.000 2.149 51 F HA 0.077 4.604 4.527 0.001 0.000 0.294 51 F C 1.996 177.871 175.800 0.125 0.000 1.095 51 F CA 1.227 59.296 58.000 0.116 0.000 1.276 51 F CB -0.885 38.134 39.000 0.031 0.000 1.023 51 F HN 0.211 nan 8.300 nan 0.000 0.480 52 N N 0.619 119.324 118.700 0.008 0.000 2.000 52 N HA -0.288 4.452 4.740 0.001 0.000 0.198 52 N C 1.868 177.278 175.510 -0.166 0.000 1.057 52 N CA 1.798 54.767 53.050 -0.135 0.000 0.858 52 N CB -1.171 37.279 38.487 -0.063 0.000 1.057 52 N HN 0.304 nan 8.380 nan 0.000 0.423 53 Q N 0.356 120.074 119.800 -0.137 0.000 2.290 53 Q HA -0.165 4.176 4.340 0.001 0.000 0.211 53 Q C 1.779 177.711 176.000 -0.113 0.000 0.991 53 Q CA 1.324 56.989 55.803 -0.231 0.000 0.893 53 Q CB -0.512 28.132 28.738 -0.156 0.000 0.913 53 Q HN 0.470 nan 8.270 nan 0.000 0.428 54 F N -1.309 118.561 119.950 -0.134 0.000 2.187 54 F HA -0.033 4.494 4.527 0.001 0.000 0.295 54 F C 1.574 177.281 175.800 -0.155 0.000 1.091 54 F CA 1.189 59.136 58.000 -0.089 0.000 1.308 54 F CB -0.274 38.714 39.000 -0.021 0.000 1.030 54 F HN -0.022 nan 8.300 nan 0.000 0.487 55 V N 0.686 120.300 119.914 -0.500 0.000 2.273 55 V HA -0.206 3.915 4.120 0.001 0.000 0.242 55 V C 2.171 178.054 176.094 -0.352 0.000 1.035 55 V CA 1.946 63.898 62.300 -0.579 0.000 1.013 55 V CB -0.792 30.715 31.823 -0.526 0.000 0.652 55 V HN 0.204 nan 8.190 nan 0.000 0.452 56 D N -0.561 119.721 120.400 -0.196 0.000 2.156 56 D HA -0.201 4.439 4.640 0.001 0.000 0.190 56 D C 1.978 178.385 176.300 0.178 0.000 0.998 56 D CA 2.215 56.227 54.000 0.019 0.000 0.842 56 D CB -0.290 40.595 40.800 0.142 0.000 0.974 56 D HN 0.465 nan 8.370 nan 0.000 0.447 57 Y N 0.638 120.840 120.300 -0.165 0.000 2.304 57 Y HA 0.053 4.603 4.550 0.001 0.000 0.265 57 Y C 2.788 178.585 175.900 -0.170 0.000 1.074 57 Y CA 0.491 58.514 58.100 -0.129 0.000 1.102 57 Y CB -1.289 37.130 38.460 -0.067 0.000 1.037 57 Y HN -0.106 nan 8.280 nan 0.000 0.484 58 T N 1.778 116.359 114.554 0.044 0.000 2.824 58 T HA -0.291 4.060 4.350 0.001 0.000 0.259 58 T C 1.937 176.517 174.700 -0.200 0.000 1.024 58 T CA 2.092 64.158 62.100 -0.056 0.000 1.164 58 T CB -0.800 68.059 68.868 -0.015 0.000 0.836 58 T HN 0.122 nan 8.240 nan 0.000 0.485 59 L N 0.588 121.542 121.223 -0.448 0.000 2.046 59 L HA -0.044 4.296 4.340 0.001 0.000 0.208 59 L C 2.575 179.369 176.870 -0.127 0.000 1.077 59 L CA 1.847 56.436 54.840 -0.417 0.000 0.747 59 L CB -0.845 40.864 42.059 -0.583 0.000 0.896 59 L HN 0.196 nan 8.230 nan 0.000 0.432 60 Q N -0.287 119.439 119.800 -0.123 0.000 1.990 60 Q HA -0.211 4.130 4.340 0.001 0.000 0.200 60 Q C 1.792 177.772 176.000 -0.034 0.000 0.980 60 Q CA 2.215 57.973 55.803 -0.075 0.000 0.832 60 Q CB -0.280 28.406 28.738 -0.087 0.000 0.897 60 Q HN 0.525 nan 8.270 nan 0.000 0.427 61 D N -0.214 120.175 120.400 -0.018 0.000 2.172 61 D HA -0.195 4.445 4.640 0.001 0.000 0.196 61 D C 1.648 177.961 176.300 0.022 0.000 0.999 61 D CA 1.603 55.609 54.000 0.010 0.000 0.856 61 D CB -0.125 40.694 40.800 0.031 0.000 0.934 61 D HN 0.376 nan 8.370 nan 0.000 0.453 62 I N -0.233 120.351 120.570 0.024 0.000 2.233 62 I HA -0.155 4.016 4.170 0.001 0.000 0.243 62 I C 2.087 178.213 176.117 0.015 0.000 1.093 62 I CA 0.360 61.678 61.300 0.030 0.000 1.380 62 I CB -0.108 37.932 38.000 0.066 0.000 1.067 62 I HN -0.030 nan 8.210 nan 0.000 0.413 63 I N 0.454 120.986 120.570 -0.062 0.000 2.530 63 I HA -0.202 3.968 4.170 0.001 0.000 0.257 63 I C 0.638 176.829 176.117 0.123 0.000 1.179 63 I CA 0.946 62.176 61.300 -0.116 0.000 1.440 63 I CB -0.232 37.636 38.000 -0.220 0.000 1.087 63 I HN 0.229 nan 8.210 nan 0.000 0.440 64 C N 1.525 120.872 119.300 0.079 0.000 2.291 64 C HA 0.500 4.960 4.460 0.001 0.000 0.322 64 C C 0.911 175.933 174.990 0.053 0.000 1.205 64 C CA 0.014 59.084 59.018 0.087 0.000 1.495 64 C CB -0.578 27.201 27.740 0.064 0.000 2.127 64 C HN 0.689 nan 8.230 nan 0.000 0.452 65 E N 1.592 121.818 120.200 0.042 0.000 2.384 65 E HA -0.044 4.307 4.350 0.001 0.000 0.274 65 E C 0.007 176.595 176.600 -0.021 0.000 1.095 65 E CA 0.112 56.514 56.400 0.003 0.000 1.979 65 E CB -0.405 29.287 29.700 -0.013 0.000 2.946 65 E HN 0.476 nan 8.360 nan 0.000 1.059 66 D N 2.151 122.515 120.400 -0.059 0.000 2.535 66 D HA 0.112 4.752 4.640 0.001 0.000 0.229 66 D C 1.222 177.458 176.300 -0.108 0.000 1.238 66 D CA 0.654 54.599 54.000 -0.092 0.000 0.824 66 D CB 0.788 41.501 40.800 -0.145 0.000 1.045 66 D HN 0.217 nan 8.370 nan 0.000 0.500 67 S N 1.035 116.710 115.700 -0.041 0.000 2.398 67 S HA -0.153 4.317 4.470 0.001 0.000 0.220 67 S C 1.171 175.892 174.600 0.202 0.000 1.038 67 S CA 0.897 59.110 58.200 0.023 0.000 1.080 67 S CB -1.646 61.693 63.200 0.232 0.000 1.039 67 S HN 0.256 nan 8.310 nan 0.000 0.419 68 T N 3.272 117.966 114.554 0.233 0.000 2.897 68 T HA 0.258 4.609 4.350 0.001 0.000 0.304 68 T C -0.096 174.686 174.700 0.136 0.000 1.051 68 T CA 0.555 62.764 62.100 0.182 0.000 1.132 68 T CB -0.233 68.698 68.868 0.104 0.000 1.066 68 T HN 0.308 nan 8.240 nan 0.000 0.518 69 L N 1.897 123.213 121.223 0.154 0.000 2.283 69 L HA 0.623 4.963 4.340 0.001 0.000 0.259 69 L C 0.292 177.280 176.870 0.198 0.000 1.027 69 L CA -1.278 53.681 54.840 0.199 0.000 0.828 69 L CB 1.658 43.899 42.059 0.303 0.000 1.380 69 L HN 0.532 nan 8.230 nan 0.000 0.425 91 S N 3.756 119.290 115.700 -0.277 0.000 2.786 91 S HA 0.890 5.361 4.470 0.001 0.000 0.307 91 S C -0.999 173.299 174.600 -0.504 0.000 1.121 91 S CA -0.743 57.345 58.200 -0.187 0.000 0.975 91 S CB 2.006 65.189 63.200 -0.028 0.000 1.220 91 S HN 0.346 nan 8.310 nan 0.000 0.550 92 F N -0.144 119.854 119.950 0.080 0.000 2.562 92 F HA 0.685 5.212 4.527 0.001 0.000 0.319 92 F C 0.776 176.617 175.800 0.067 0.000 1.154 92 F CA -0.578 57.477 58.000 0.092 0.000 0.931 92 F CB 1.872 40.960 39.000 0.147 0.000 1.198 92 F HN 0.965 nan 8.300 nan 0.000 0.444 93 G N 1.604 110.523 108.800 0.197 0.000 2.695 93 G HA2 0.286 4.246 3.960 0.001 0.000 0.213 93 G HA3 0.286 4.246 3.960 0.001 0.000 0.213 93 G C -0.504 174.465 174.900 0.115 0.000 1.406 93 G CA -0.833 44.343 45.100 0.127 0.000 1.049 93 G HN 0.565 nan 8.290 nan 0.000 0.573 94 K N -0.688 119.749 120.400 0.061 0.000 2.552 94 K HA 0.051 4.371 4.320 0.001 0.000 0.276 94 K C -0.613 175.997 176.600 0.018 0.000 0.960 94 K CA 0.325 56.597 56.287 -0.025 0.000 0.961 94 K CB 0.163 32.595 32.500 -0.114 0.000 0.902 94 K HN 0.338 nan 8.250 nan 0.000 0.515 95 I N 2.188 122.691 120.570 -0.112 0.000 2.730 95 I HA 0.302 4.473 4.170 0.001 0.000 0.298 95 I C -1.613 174.411 176.117 -0.155 0.000 1.089 95 I CA -1.062 60.243 61.300 0.008 0.000 1.041 95 I CB 1.201 39.194 38.000 -0.011 0.000 1.235 95 I HN 0.542 nan 8.210 nan 0.000 0.423 96 Y N 5.359 125.698 120.300 0.065 0.000 2.352 96 Y HA 0.486 5.037 4.550 0.001 0.000 0.339 96 Y C -0.192 175.665 175.900 -0.073 0.000 0.992 96 Y CA -0.883 57.238 58.100 0.035 0.000 1.100 96 Y CB 1.928 40.479 38.460 0.150 0.000 1.192 96 Y HN 0.151 nan 8.280 nan 0.000 0.458 97 V N 3.879 123.790 119.914 -0.004 0.000 2.259 97 V HA 0.194 4.315 4.120 0.001 0.000 0.267 97 V C 0.171 176.199 176.094 -0.111 0.000 1.051 97 V CA -0.829 61.408 62.300 -0.105 0.000 0.830 97 V CB 0.105 31.837 31.823 -0.150 0.000 1.080 97 V HN 0.933 nan 8.190 nan 0.000 0.467 98 T N 2.154 116.609 114.554 -0.165 0.000 2.860 98 T HA 0.398 4.748 4.350 0.001 0.000 0.299 98 T C -0.022 174.577 174.700 -0.169 0.000 1.045 98 T CA -0.606 61.400 62.100 -0.158 0.000 1.071 98 T CB 1.007 69.739 68.868 -0.227 0.000 0.985 98 T HN 0.503 nan 8.240 nan 0.000 0.537 99 K N 1.946 122.242 120.400 -0.174 0.000 2.118 99 K HA 0.365 4.685 4.320 0.001 0.000 0.264 99 K C -2.524 174.009 176.600 -0.112 0.000 1.000 99 K CA -2.004 54.135 56.287 -0.247 0.000 0.929 99 K CB 0.344 32.554 32.500 -0.483 0.000 1.021 99 K HN 0.407 nan 8.250 nan 0.000 0.463 100 P HA -0.212 nan 4.420 nan 0.000 0.265 100 P C -0.806 176.539 177.300 0.076 0.000 1.132 100 P CA 1.334 64.420 63.100 -0.023 0.000 0.752 100 P CB 0.349 32.060 31.700 0.018 0.000 0.728 101 M N 1.291 120.909 119.600 0.030 0.000 3.053 101 M HA 0.587 5.068 4.480 0.001 0.000 0.281 101 M C -1.060 175.261 176.300 0.035 0.000 1.304 101 M CA -1.051 54.275 55.300 0.044 0.000 0.767 101 M CB 2.125 34.725 32.600 0.001 0.000 1.730 101 M HN -0.182 nan 8.290 nan 0.000 0.437 102 V N 1.496 121.416 119.914 0.010 0.000 2.610 102 V HA 0.229 4.349 4.120 0.001 0.000 0.288 102 V C -1.464 174.575 176.094 -0.091 0.000 1.055 102 V CA -0.661 61.614 62.300 -0.042 0.000 0.902 102 V CB 1.606 33.383 31.823 -0.077 0.000 1.030 102 V HN 0.834 nan 8.190 nan 0.000 0.448 103 N N 4.178 122.830 118.700 -0.079 0.000 2.645 103 N HA 0.367 5.108 4.740 0.001 0.000 0.233 103 N C -0.248 175.213 175.510 -0.082 0.000 1.058 103 N CA -0.384 52.616 53.050 -0.084 0.000 0.942 103 N CB 0.679 39.115 38.487 -0.085 0.000 1.210 103 N HN 0.827 nan 8.380 nan 0.000 0.512 104 E N 0.860 120.997 120.200 -0.106 0.000 2.212 104 E HA 0.426 4.777 4.350 0.001 0.000 0.268 104 E C -0.576 175.988 176.600 -0.060 0.000 0.902 104 E CA -1.085 55.260 56.400 -0.092 0.000 0.779 104 E CB 1.055 30.670 29.700 -0.142 0.000 1.172 104 E HN 0.427 nan 8.360 nan 0.000 0.409 105 S N 2.000 117.678 115.700 -0.036 0.000 2.584 105 S HA 0.018 4.488 4.470 0.001 0.000 0.270 105 S C 0.535 175.128 174.600 -0.012 0.000 1.346 105 S CA -0.147 58.042 58.200 -0.018 0.000 1.018 105 S CB 0.460 63.656 63.200 -0.008 0.000 0.899 105 S HN 0.823 nan 8.310 nan 0.000 0.542 106 D N -0.224 120.175 120.400 -0.002 0.000 3.070 106 D HA -0.130 4.510 4.640 0.001 0.000 0.220 106 D C 0.306 176.612 176.300 0.009 0.000 1.176 106 D CA 1.835 55.839 54.000 0.007 0.000 0.924 106 D CB -1.250 39.559 40.800 0.014 0.000 1.124 106 D HN 0.971 nan 8.370 nan 0.000 0.411 107 G N -2.010 106.788 108.800 -0.004 0.000 2.708 107 G HA2 0.573 4.533 3.960 0.001 0.000 0.289 107 G HA3 0.573 4.533 3.960 0.001 0.000 0.289 107 G C 0.533 175.427 174.900 -0.009 0.000 1.416 107 G CA -0.024 45.076 45.100 -0.001 0.000 0.829 107 G HN 0.033 nan 8.290 nan 0.000 0.480 108 V N -0.448 119.473 119.914 0.012 0.000 3.541 108 V HA 0.506 4.626 4.120 0.001 0.000 0.147 108 V C 0.778 176.868 176.094 -0.008 0.000 1.193 108 V CA 0.386 62.696 62.300 0.016 0.000 1.426 108 V CB 0.058 31.911 31.823 0.051 0.000 1.157 108 V HN 0.710 nan 8.190 nan 0.000 0.420 109 T N 0.119 114.693 114.554 0.033 0.000 3.187 109 T HA 0.367 4.717 4.350 0.001 0.000 0.328 109 T C -0.695 174.082 174.700 0.129 0.000 0.951 109 T CA -0.368 61.746 62.100 0.024 0.000 1.049 109 T CB 0.079 68.956 68.868 0.015 0.000 1.015 109 T HN 0.516 nan 8.240 nan 0.000 0.461 110 H N 1.331 120.421 119.070 0.034 0.000 2.871 110 H HA 0.383 4.939 4.556 0.001 0.000 0.355 110 H C 0.764 176.132 175.328 0.067 0.000 1.092 110 H CA -0.666 55.411 56.048 0.049 0.000 1.420 110 H CB 0.662 30.454 29.762 0.050 0.000 1.400 110 H HN 0.705 nan 8.280 nan 0.000 0.604 111 A N 3.913 126.862 122.820 0.215 0.000 2.343 111 A HA 0.194 4.514 4.320 0.001 0.000 0.305 111 A C -0.384 177.306 177.584 0.177 0.000 1.308 111 A CA -0.486 51.660 52.037 0.182 0.000 0.949 111 A CB -0.233 18.890 19.000 0.205 0.000 1.148 111 A HN 0.397 nan 8.150 nan 0.000 0.545 112 L N 3.387 124.681 121.223 0.119 0.000 2.349 112 L HA 0.578 4.918 4.340 0.001 0.000 0.275 112 L C -0.913 175.914 176.870 -0.071 0.000 1.115 112 L CA 0.132 55.050 54.840 0.130 0.000 0.820 112 L CB 0.112 42.275 42.059 0.172 0.000 1.135 112 L HN 0.607 nan 8.230 nan 0.000 0.445 113 Y N 5.013 125.264 120.300 -0.082 0.000 2.630 113 Y HA 0.505 5.055 4.550 0.000 0.000 0.337 113 Y C -1.668 174.173 175.900 -0.098 0.000 1.051 113 Y CA -1.638 56.386 58.100 -0.127 0.000 1.121 113 Y CB 0.919 39.241 38.460 -0.231 0.000 1.299 113 Y HN 0.506 nan 8.280 nan 0.000 0.498 114 P HA -0.243 nan 4.420 nan 0.000 0.208 114 P C 1.201 178.425 177.300 -0.126 0.000 1.195 114 P CA 1.839 64.679 63.100 -0.434 0.000 0.927 114 P CB 0.317 31.728 31.700 -0.482 0.000 0.778 115 Q N 0.572 120.337 119.800 -0.059 0.000 2.294 115 Q HA -0.249 4.091 4.340 0.001 0.000 0.215 115 Q C 2.180 178.187 176.000 0.012 0.000 1.000 115 Q CA 2.326 58.120 55.803 -0.015 0.000 0.916 115 Q CB -1.017 27.707 28.738 -0.024 0.000 0.932 115 Q HN 0.469 nan 8.270 nan 0.000 0.420 116 E N -1.635 118.582 120.200 0.027 0.000 2.033 116 E HA -0.054 4.296 4.350 0.001 0.000 0.189 116 E C 1.796 178.438 176.600 0.070 0.000 0.979 116 E CA 0.777 57.209 56.400 0.054 0.000 0.802 116 E CB -0.312 29.433 29.700 0.074 0.000 0.763 116 E HN 0.417 nan 8.360 nan 0.000 0.449 117 A N 1.470 124.337 122.820 0.077 0.000 2.032 117 A HA -0.218 4.103 4.320 0.001 0.000 0.221 117 A C 2.104 179.730 177.584 0.070 0.000 1.165 117 A CA 1.394 53.480 52.037 0.082 0.000 0.645 117 A CB -0.524 18.553 19.000 0.129 0.000 0.807 117 A HN 0.186 nan 8.150 nan 0.000 0.453 118 R N -0.694 119.844 120.500 0.064 0.000 2.066 118 R HA -0.019 4.322 4.340 0.001 0.000 0.232 118 R C 2.063 178.428 176.300 0.109 0.000 1.131 118 R CA 1.457 57.605 56.100 0.080 0.000 0.955 118 R CB -0.521 29.821 30.300 0.069 0.000 0.851 118 R HN 0.527 nan 8.270 nan 0.000 0.432 119 L N 0.260 121.551 121.223 0.113 0.000 2.044 119 L HA -0.086 4.255 4.340 0.001 0.000 0.205 119 L C 2.143 179.167 176.870 0.257 0.000 1.075 119 L CA 1.216 56.154 54.840 0.164 0.000 0.747 119 L CB -0.330 41.807 42.059 0.131 0.000 0.903 119 L HN 0.119 nan 8.230 nan 0.000 0.435 120 R N 0.559 121.149 120.500 0.150 0.000 2.328 120 R HA 0.036 4.376 4.340 0.001 0.000 0.200 120 R C -0.159 176.005 176.300 -0.226 0.000 0.983 120 R CA -0.005 56.105 56.100 0.017 0.000 1.062 120 R CB -0.516 29.780 30.300 -0.006 0.000 0.956 120 R HN 0.448 nan 8.270 nan 0.000 0.479 121 N N 1.066 119.751 118.700 -0.024 0.000 2.705 121 N HA -0.198 4.542 4.740 0.001 0.000 0.255 121 N C -0.804 174.648 175.510 -0.097 0.000 1.008 121 N CA -0.045 52.979 53.050 -0.043 0.000 0.742 121 N CB -0.714 37.744 38.487 -0.048 0.000 0.906 121 N HN 0.206 nan 8.380 nan 0.000 0.541 122 L N -0.736 120.471 121.223 -0.027 0.000 2.391 122 L HA 0.581 4.922 4.340 0.001 0.000 0.266 122 L C 0.640 177.547 176.870 0.062 0.000 1.035 122 L CA -0.758 54.081 54.840 -0.003 0.000 0.877 122 L CB 1.342 43.410 42.059 0.015 0.000 1.504 122 L HN -0.079 nan 8.230 nan 0.000 0.503 123 T N -0.574 114.030 114.554 0.083 0.000 2.791 123 T HA 0.198 4.549 4.350 0.001 0.000 0.288 123 T C -0.715 174.095 174.700 0.184 0.000 0.999 123 T CA -0.173 62.002 62.100 0.125 0.000 0.952 123 T CB 0.345 69.266 68.868 0.090 0.000 0.938 123 T HN 0.254 nan 8.240 nan 0.000 0.444 124 Y N 4.862 125.208 120.300 0.076 0.000 2.604 124 Y HA 0.293 4.843 4.550 0.001 0.000 0.341 124 Y C 1.006 176.960 175.900 0.091 0.000 1.249 124 Y CA -0.739 57.406 58.100 0.074 0.000 1.926 124 Y CB -0.934 37.560 38.460 0.058 0.000 1.941 124 Y HN 0.710 nan 8.280 nan 0.000 0.426 125 S N 1.008 116.697 115.700 -0.020 0.000 2.589 125 S HA 0.930 5.401 4.470 0.001 0.000 0.272 125 S C -0.095 174.432 174.600 -0.122 0.000 1.096 125 S CA -0.012 58.163 58.200 -0.042 0.000 0.985 125 S CB 1.222 64.444 63.200 0.036 0.000 1.278 125 S HN 0.570 nan 8.310 nan 0.000 0.528 126 S N -1.717 113.946 115.700 -0.062 0.000 2.643 126 S HA 0.626 5.097 4.470 0.001 0.000 0.266 126 S C -0.292 174.272 174.600 -0.059 0.000 1.130 126 S CA -0.716 57.431 58.200 -0.089 0.000 0.817 126 S CB 0.325 63.439 63.200 -0.143 0.000 1.107 126 S HN 1.440 nan 8.310 nan 0.000 0.471 127 G N -0.187 108.532 108.800 -0.135 0.000 2.415 127 G HA2 0.570 4.530 3.960 0.001 0.000 0.269 127 G HA3 0.570 4.530 3.960 0.001 0.000 0.269 127 G C -1.366 173.367 174.900 -0.277 0.000 1.209 127 G CA -0.500 44.495 45.100 -0.176 0.000 0.835 127 G HN 0.527 nan 8.290 nan 0.000 0.534 128 L N 1.840 122.977 121.223 -0.144 0.000 2.316 128 L HA 0.486 4.826 4.340 0.001 0.000 0.280 128 L C -0.577 176.387 176.870 0.157 0.000 1.006 128 L CA -0.322 54.457 54.840 -0.103 0.000 0.836 128 L CB 0.873 42.853 42.059 -0.132 0.000 1.221 128 L HN 0.447 nan 8.230 nan 0.000 0.418 129 F N 3.360 123.404 119.950 0.157 0.000 2.493 129 F HA 0.693 5.221 4.527 0.001 0.000 0.329 129 F C -0.272 175.669 175.800 0.235 0.000 1.126 129 F CA -1.224 56.888 58.000 0.186 0.000 0.937 129 F CB 2.137 41.227 39.000 0.150 0.000 1.146 129 F HN 0.012 nan 8.300 nan 0.000 0.442 130 V N 2.328 122.466 119.914 0.374 0.000 2.638 130 V HA 0.196 4.317 4.120 0.001 0.000 0.306 130 V C -0.679 175.575 176.094 0.267 0.000 1.052 130 V CA -1.087 61.404 62.300 0.319 0.000 0.885 130 V CB 2.143 34.120 31.823 0.256 0.000 0.999 130 V HN 0.567 nan 8.190 nan 0.000 0.424 131 D N 3.833 124.388 120.400 0.258 0.000 2.348 131 D HA 0.217 4.857 4.640 0.001 0.000 0.259 131 D C 0.007 176.362 176.300 0.092 0.000 1.296 131 D CA 0.249 54.342 54.000 0.155 0.000 0.931 131 D CB 1.545 42.448 40.800 0.172 0.000 1.067 131 D HN 0.240 nan 8.370 nan 0.000 0.503 132 V N 2.833 122.762 119.914 0.024 0.000 2.785 132 V HA 0.308 4.428 4.120 0.001 0.000 0.300 132 V C 0.713 176.733 176.094 -0.123 0.000 1.062 132 V CA -0.456 61.765 62.300 -0.132 0.000 1.029 132 V CB 1.539 33.274 31.823 -0.147 0.000 1.024 132 V HN 0.327 nan 8.190 nan 0.000 0.477 165 V N 2.742 122.596 119.914 -0.099 0.000 2.638 165 V HA 0.432 4.552 4.120 0.001 0.000 0.306 165 V C -0.703 175.486 176.094 0.158 0.000 1.052 165 V CA -0.865 61.429 62.300 -0.009 0.000 0.885 165 V CB 1.399 33.272 31.823 0.082 0.000 0.999 165 V HN 0.219 nan 8.190 nan 0.000 0.424 166 F N 5.897 125.881 119.950 0.055 0.000 2.443 166 F HA 0.635 5.163 4.527 0.001 0.000 0.353 166 F C 0.094 176.045 175.800 0.253 0.000 1.101 166 F CA -0.731 57.499 58.000 0.382 0.000 1.226 166 F CB 0.655 39.870 39.000 0.359 0.000 1.140 166 F HN 0.384 nan 8.300 nan 0.000 0.557 167 I N 6.360 126.613 120.570 -0.528 0.000 2.917 167 I HA 0.427 4.598 4.170 0.001 0.000 0.292 167 I C 0.171 175.900 176.117 -0.647 0.000 1.510 167 I CA -0.185 60.831 61.300 -0.473 0.000 0.858 167 I CB 0.452 38.384 38.000 -0.113 0.000 1.862 167 I HN 0.954 nan 8.210 nan 0.000 0.615 168 G N 2.825 110.908 108.800 -1.194 0.000 2.782 168 G HA2 -0.170 3.790 3.960 0.001 0.000 0.228 168 G HA3 -0.170 3.790 3.960 0.001 0.000 0.228 168 G C -0.641 174.100 174.900 -0.266 0.000 1.372 168 G CA -0.827 43.933 45.100 -0.567 0.000 0.862 168 G HN 0.484 nan 8.290 nan 0.000 0.547 169 R N -1.162 119.339 120.500 0.002 0.000 2.599 169 R HA 0.605 4.945 4.340 0.001 0.000 0.295 169 R C -0.606 175.692 176.300 -0.003 0.000 0.963 169 R CA -0.925 55.214 56.100 0.065 0.000 0.883 169 R CB 1.995 32.377 30.300 0.137 0.000 1.171 169 R HN 0.609 nan 8.270 nan 0.000 0.450 170 L N 4.879 126.087 121.223 -0.024 0.000 2.272 170 L HA 0.396 4.736 4.340 0.001 0.000 0.284 170 L C -2.312 174.614 176.870 0.093 0.000 1.045 170 L CA -2.069 52.771 54.840 0.000 0.000 0.842 170 L CB 0.918 42.955 42.059 -0.037 0.000 1.224 170 L HN 0.445 nan 8.230 nan 0.000 0.430 171 P HA -0.005 nan 4.420 nan 0.000 0.256 171 P C -0.228 177.286 177.300 0.356 0.000 1.189 171 P CA 0.596 63.820 63.100 0.206 0.000 0.808 171 P CB -0.060 31.750 31.700 0.182 0.000 0.793 172 I N 3.946 124.615 120.570 0.164 0.000 2.575 172 I HA 0.183 4.353 4.170 0.001 0.000 0.285 172 I C 1.432 177.358 176.117 -0.318 0.000 1.085 172 I CA -0.599 60.762 61.300 0.102 0.000 1.403 172 I CB 0.641 38.610 38.000 -0.052 0.000 1.409 172 I HN 0.269 nan 8.210 nan 0.000 0.557 173 M N 5.541 124.515 119.600 -1.044 0.000 2.242 173 M HA 0.257 4.737 4.480 0.001 0.000 0.344 173 M C -0.869 175.114 176.300 -0.528 0.000 1.140 173 M CA -0.473 53.945 55.300 -1.471 0.000 1.160 173 M CB 0.846 32.321 32.600 -1.875 0.000 1.491 173 M HN 0.334 nan 8.290 nan 0.000 0.459 174 L N 4.358 125.253 121.223 -0.547 0.000 2.439 174 L HA 0.219 4.559 4.340 0.001 0.000 0.269 174 L C 0.969 177.676 176.870 -0.272 0.000 1.179 174 L CA 0.781 55.397 54.840 -0.374 0.000 0.828 174 L CB 0.467 42.093 42.059 -0.723 0.000 1.106 174 L HN 0.942 nan 8.230 nan 0.000 0.467 175 R N -0.256 120.174 120.500 -0.117 0.000 3.953 175 R HA -0.184 4.156 4.340 0.001 0.000 0.340 175 R C 0.128 176.417 176.300 -0.018 0.000 1.195 175 R CA 0.981 57.048 56.100 -0.054 0.000 0.929 175 R CB -1.848 28.409 30.300 -0.071 0.000 1.402 175 R HN 0.898 nan 8.270 nan 0.000 0.540 176 S N -1.573 114.130 115.700 0.005 0.000 2.646 176 S HA 0.337 4.808 4.470 0.001 0.000 0.273 176 S C 1.155 175.785 174.600 0.050 0.000 1.168 176 S CA -0.357 57.891 58.200 0.080 0.000 1.013 176 S CB 1.045 64.406 63.200 0.268 0.000 1.098 176 S HN 0.258 nan 8.310 nan 0.000 0.544 177 K N 0.213 120.633 120.400 0.034 0.000 2.148 177 K HA 0.013 4.334 4.320 0.001 0.000 0.204 177 K C 1.308 177.873 176.600 -0.058 0.000 1.050 177 K CA 1.262 57.538 56.287 -0.019 0.000 0.942 177 K CB -0.401 32.073 32.500 -0.043 0.000 0.724 177 K HN 0.494 nan 8.250 nan 0.000 0.446 178 N N -0.217 118.450 118.700 -0.057 0.000 2.461 178 N HA -0.029 4.712 4.740 0.001 0.000 0.188 178 N C -0.576 174.842 175.510 -0.155 0.000 1.134 178 N CA 0.131 53.105 53.050 -0.126 0.000 0.878 178 N CB 0.237 38.657 38.487 -0.113 0.000 0.972 178 N HN 0.089 nan 8.380 nan 0.000 0.456 179 C N 0.517 119.795 119.300 -0.037 0.000 2.307 179 C HA 0.231 4.691 4.460 0.001 0.000 0.340 179 C C 1.444 176.468 174.990 0.058 0.000 1.275 179 C CA -0.790 58.286 59.018 0.096 0.000 1.811 179 C CB -1.110 26.743 27.740 0.189 0.000 2.372 179 C HN 0.497 nan 8.230 nan 0.000 0.531 180 Y N 3.472 123.773 120.300 0.003 0.000 2.283 180 Y HA -0.171 4.379 4.550 0.000 0.000 0.285 180 Y C 2.029 177.949 175.900 0.034 0.000 1.176 180 Y CA 1.600 59.676 58.100 -0.040 0.000 1.229 180 Y CB -0.627 37.700 38.460 -0.222 0.000 0.975 180 Y HN 0.663 nan 8.280 nan 0.000 0.537 181 L N -0.410 120.941 121.223 0.214 0.000 2.201 181 L HA -0.207 4.134 4.340 0.001 0.000 0.212 181 L C 2.557 179.477 176.870 0.084 0.000 1.105 181 L CA 1.277 56.197 54.840 0.132 0.000 0.775 181 L CB -0.824 41.283 42.059 0.080 0.000 0.913 181 L HN 0.329 nan 8.230 nan 0.000 0.440 182 S N -0.073 115.665 115.700 0.063 0.000 2.365 182 S HA -0.261 4.210 4.470 0.001 0.000 0.225 182 S C 1.747 176.373 174.600 0.044 0.000 1.039 182 S CA 1.601 59.825 58.200 0.040 0.000 1.033 182 S CB -0.345 62.867 63.200 0.021 0.000 0.887 182 S HN 0.525 nan 8.310 nan 0.000 0.447 183 E N 1.925 122.154 120.200 0.048 0.000 2.060 183 E HA 0.331 4.682 4.350 0.001 0.000 0.189 183 E C 1.289 177.928 176.600 0.064 0.000 0.974 183 E CA 0.368 56.798 56.400 0.050 0.000 0.808 183 E CB -0.348 29.378 29.700 0.044 0.000 0.768 183 E HN 0.680 nan 8.360 nan 0.000 0.453 184 A N 1.389 124.263 122.820 0.090 0.000 2.609 184 A HA 0.079 4.400 4.320 0.001 0.000 0.235 184 A C 0.615 178.238 177.584 0.065 0.000 1.092 184 A CA 1.011 53.104 52.037 0.093 0.000 0.780 184 A CB -0.115 18.961 19.000 0.126 0.000 1.031 184 A HN 0.283 nan 8.150 nan 0.000 0.515 185 T N -2.159 112.429 114.554 0.057 0.000 2.838 185 T HA 0.548 4.898 4.350 0.001 0.000 0.292 185 T C 0.688 175.413 174.700 0.041 0.000 1.113 185 T CA 0.171 62.293 62.100 0.036 0.000 1.008 185 T CB 1.108 69.988 68.868 0.020 0.000 1.259 185 T HN 0.703 nan 8.240 nan 0.000 0.520 186 E N 1.329 121.540 120.200 0.019 0.000 2.223 186 E HA -0.341 4.010 4.350 0.001 0.000 0.249 186 E C 2.175 178.806 176.600 0.052 0.000 1.008 186 E CA 3.474 59.888 56.400 0.024 0.000 0.975 186 E CB -0.937 28.724 29.700 -0.065 0.000 0.901 186 E HN 0.820 nan 8.360 nan 0.000 0.537 187 S N 0.095 115.760 115.700 -0.058 0.000 2.392 187 S HA -0.277 4.194 4.470 0.001 0.000 0.232 187 S C 1.804 176.422 174.600 0.030 0.000 1.041 187 S CA 1.655 59.809 58.200 -0.076 0.000 1.026 187 S CB -0.614 62.533 63.200 -0.088 0.000 0.845 187 S HN 0.355 nan 8.310 nan 0.000 0.465 188 D N 1.782 122.210 120.400 0.047 0.000 2.092 188 D HA -0.065 4.575 4.640 0.001 0.000 0.193 188 D C 2.089 178.442 176.300 0.090 0.000 0.994 188 D CA 1.532 55.570 54.000 0.063 0.000 0.828 188 D CB -0.284 40.559 40.800 0.072 0.000 0.963 188 D HN 0.378 nan 8.370 nan 0.000 0.450 189 L N 0.100 121.396 121.223 0.120 0.000 1.956 189 L HA -0.260 4.080 4.340 0.001 0.000 0.216 189 L C 2.701 179.634 176.870 0.105 0.000 1.073 189 L CA 1.423 56.325 54.840 0.103 0.000 0.762 189 L CB -0.953 41.157 42.059 0.085 0.000 0.889 189 L HN 0.101 nan 8.230 nan 0.000 0.433 190 Y N 0.391 120.665 120.300 -0.044 0.000 2.173 190 Y HA -0.305 4.246 4.550 0.001 0.000 0.282 190 Y C 2.398 178.263 175.900 -0.058 0.000 1.192 190 Y CA 1.492 59.560 58.100 -0.053 0.000 1.176 190 Y CB -0.570 37.856 38.460 -0.057 0.000 0.969 190 Y HN 0.158 nan 8.280 nan 0.000 0.519 191 K N -0.306 120.156 120.400 0.103 0.000 2.505 191 K HA 0.086 4.406 4.320 0.001 0.000 0.192 191 K C 0.987 177.557 176.600 -0.050 0.000 1.025 191 K CA 0.286 56.580 56.287 0.012 0.000 1.086 191 K CB -0.016 32.481 32.500 -0.005 0.000 0.840 191 K HN 0.350 nan 8.250 nan 0.000 0.514 192 L N -0.559 120.639 121.223 -0.043 0.000 2.817 192 L HA 0.126 4.467 4.340 0.001 0.000 0.248 192 L C 0.365 177.188 176.870 -0.078 0.000 1.133 192 L CA 0.114 54.897 54.840 -0.094 0.000 0.935 192 L CB 0.337 42.370 42.059 -0.044 0.000 1.266 192 L HN 0.054 nan 8.230 nan 0.000 0.535 193 K N -1.057 119.300 120.400 -0.071 0.000 3.587 193 K HA -0.155 4.165 4.320 0.001 0.000 0.294 193 K C 0.152 176.683 176.600 -0.115 0.000 1.279 193 K CA 0.835 57.066 56.287 -0.092 0.000 1.004 193 K CB -0.785 31.673 32.500 -0.070 0.000 1.276 193 K HN 0.161 nan 8.250 nan 0.000 0.459 194 E N 1.505 121.649 120.200 -0.093 0.000 2.290 194 E HA 0.039 4.389 4.350 0.001 0.000 0.277 194 E C -0.076 176.430 176.600 -0.156 0.000 1.035 194 E CA 0.002 56.353 56.400 -0.080 0.000 0.873 194 E CB 1.041 30.723 29.700 -0.030 0.000 1.029 194 E HN 0.252 nan 8.360 nan 0.000 0.419 195 C N 7.499 126.715 119.300 -0.141 0.000 2.648 195 C HA 0.099 4.560 4.460 0.001 0.000 0.419 195 C C -0.577 174.349 174.990 -0.107 0.000 1.352 195 C CA -1.529 57.374 59.018 -0.191 0.000 1.816 195 C CB -0.004 27.683 27.740 -0.088 0.000 2.598 195 C HN 0.620 nan 8.230 nan 0.000 0.598 196 P HA -0.145 nan 4.420 nan 0.000 0.216 196 P C 1.447 178.695 177.300 -0.087 0.000 1.153 196 P CA 1.821 64.853 63.100 -0.114 0.000 0.848 196 P CB -0.131 31.495 31.700 -0.125 0.000 0.787 197 F N 0.501 120.425 119.950 -0.043 0.000 2.250 197 F HA -0.120 4.408 4.527 0.001 0.000 0.301 197 F C 1.307 177.183 175.800 0.127 0.000 1.077 197 F CA 0.538 58.523 58.000 -0.025 0.000 1.348 197 F CB -0.880 38.005 39.000 -0.192 0.000 1.040 197 F HN -0.041 nan 8.300 nan 0.000 0.509 198 D N 0.914 121.490 120.400 0.292 0.000 2.525 198 D HA -0.083 4.558 4.640 0.001 0.000 0.235 198 D C 0.842 177.274 176.300 0.221 0.000 1.137 198 D CA 0.254 54.424 54.000 0.283 0.000 0.868 198 D CB 0.604 41.524 40.800 0.199 0.000 1.180 198 D HN 0.056 nan 8.370 nan 0.000 0.465 199 M N 2.198 121.930 119.600 0.220 0.000 2.484 199 M HA 0.323 4.804 4.480 0.001 0.000 0.307 199 M C 0.822 177.173 176.300 0.086 0.000 1.149 199 M CA -0.014 55.368 55.300 0.137 0.000 0.972 199 M CB -0.671 32.003 32.600 0.123 0.000 1.400 199 M HN 0.359 nan 8.290 nan 0.000 0.508 200 G N 1.972 110.835 108.800 0.105 0.000 2.564 200 G HA2 -0.035 3.925 3.960 0.001 0.000 0.309 200 G HA3 -0.035 3.925 3.960 0.001 0.000 0.309 200 G C 0.720 175.594 174.900 -0.043 0.000 1.320 200 G CA 1.139 46.155 45.100 -0.139 0.000 0.941 200 G HN 1.869 nan 8.290 nan 0.000 0.543 201 G N -3.413 105.237 108.800 -0.251 0.000 2.138 201 G HA2 0.303 4.263 3.960 0.001 0.000 0.193 201 G HA3 0.303 4.263 3.960 0.001 0.000 0.193 201 G C 0.101 174.959 174.900 -0.069 0.000 0.998 201 G CA 1.192 46.216 45.100 -0.127 0.000 0.668 201 G HN 2.403 nan 8.290 nan 0.000 0.516 202 Y N -1.970 118.212 120.300 -0.197 0.000 2.644 202 Y HA 0.853 5.403 4.550 0.001 0.000 0.338 202 Y C -0.239 175.566 175.900 -0.159 0.000 1.119 202 Y CA -2.597 55.452 58.100 -0.084 0.000 1.060 202 Y CB 0.635 39.077 38.460 -0.030 0.000 1.294 202 Y HN -0.019 nan 8.280 nan 0.000 0.472 203 F N 0.513 120.503 119.950 0.066 0.000 2.450 203 F HA 0.693 5.220 4.527 0.001 0.000 0.361 203 F C -0.119 175.769 175.800 0.147 0.000 1.092 203 F CA -1.690 56.324 58.000 0.023 0.000 1.105 203 F CB 0.853 39.843 39.000 -0.017 0.000 1.458 203 F HN 0.357 nan 8.300 nan 0.000 0.496 204 I N 2.107 122.891 120.570 0.357 0.000 2.714 204 I HA 0.212 4.383 4.170 0.001 0.000 0.274 204 I C -1.412 174.832 176.117 0.210 0.000 1.261 204 I CA -0.133 61.315 61.300 0.247 0.000 1.008 204 I CB 0.534 38.636 38.000 0.171 0.000 1.289 204 I HN 0.214 nan 8.210 nan 0.000 0.529 205 I N 3.870 124.537 120.570 0.161 0.000 2.499 205 I HA 0.245 4.415 4.170 0.001 0.000 0.296 205 I C 1.300 177.461 176.117 0.074 0.000 0.992 205 I CA -0.272 61.090 61.300 0.105 0.000 1.297 205 I CB 0.366 38.400 38.000 0.057 0.000 1.410 205 I HN 0.340 nan 8.210 nan 0.000 0.507 206 N N 4.559 123.291 118.700 0.055 0.000 2.726 206 N HA -0.265 4.476 4.740 0.001 0.000 0.263 206 N C 0.928 176.465 175.510 0.044 0.000 0.947 206 N CA 1.227 54.298 53.050 0.034 0.000 0.838 206 N CB -0.512 37.989 38.487 0.022 0.000 0.923 206 N HN 1.084 nan 8.380 nan 0.000 0.559 207 G N -1.669 107.166 108.800 0.059 0.000 4.024 207 G HA2 -0.312 3.648 3.960 0.001 0.000 0.206 207 G HA3 -0.312 3.648 3.960 0.001 0.000 0.206 207 G C 0.049 174.999 174.900 0.082 0.000 1.608 207 G CA 0.365 45.510 45.100 0.076 0.000 1.221 207 G HN 1.022 nan 8.290 nan 0.000 0.623 208 S N 1.487 117.227 115.700 0.067 0.000 2.585 208 S HA 0.522 4.992 4.470 0.001 0.000 0.273 208 S C -0.013 174.632 174.600 0.074 0.000 1.339 208 S CA 0.240 58.471 58.200 0.052 0.000 1.028 208 S CB 1.447 64.660 63.200 0.022 0.000 0.906 208 S HN 0.612 nan 8.310 nan 0.000 0.528 209 E N 1.648 121.875 120.200 0.045 0.000 2.104 209 E HA 0.157 4.507 4.350 0.001 0.000 0.278 209 E C -0.345 176.277 176.600 0.036 0.000 1.127 209 E CA -0.224 56.216 56.400 0.068 0.000 0.897 209 E CB 0.432 30.038 29.700 -0.157 0.000 1.043 209 E HN 0.311 nan 8.360 nan 0.000 0.410 210 K N 2.329 122.814 120.400 0.143 0.000 2.185 210 K HA 0.370 4.690 4.320 0.001 0.000 0.269 210 K C -0.740 175.937 176.600 0.129 0.000 0.987 210 K CA -0.776 55.559 56.287 0.081 0.000 0.865 210 K CB 1.961 34.489 32.500 0.047 0.000 1.090 210 K HN 0.209 nan 8.250 nan 0.000 0.450 211 V N 5.162 125.068 119.914 -0.012 0.000 2.350 211 V HA 0.292 4.412 4.120 0.001 0.000 0.285 211 V C 0.209 176.227 176.094 -0.126 0.000 1.014 211 V CA -0.879 61.384 62.300 -0.062 0.000 0.831 211 V CB 1.151 32.779 31.823 -0.326 0.000 1.000 211 V HN 0.575 nan 8.190 nan 0.000 0.433 212 L N 5.679 126.857 121.223 -0.075 0.000 2.410 212 L HA 0.311 4.651 4.340 0.001 0.000 0.273 212 L C -0.103 176.666 176.870 -0.168 0.000 1.144 212 L CA 0.027 54.767 54.840 -0.167 0.000 0.863 212 L CB 0.435 42.415 42.059 -0.132 0.000 1.140 212 L HN 0.403 nan 8.230 nan 0.000 0.463 213 I N 2.708 123.152 120.570 -0.210 0.000 2.428 213 I HA 0.266 4.437 4.170 0.001 0.000 0.296 213 I C 0.775 176.804 176.117 -0.148 0.000 0.985 213 I CA -0.499 60.701 61.300 -0.167 0.000 1.260 213 I CB 1.631 39.548 38.000 -0.139 0.000 1.389 213 I HN 0.633 nan 8.210 nan 0.000 0.484 214 A N 6.899 129.658 122.820 -0.102 0.000 2.567 214 A HA 0.054 4.374 4.320 0.001 0.000 0.240 214 A C 0.170 177.705 177.584 -0.081 0.000 1.053 214 A CA 0.104 52.095 52.037 -0.077 0.000 0.755 214 A CB -0.114 18.858 19.000 -0.047 0.000 0.978 214 A HN 0.645 nan 8.150 nan 0.000 0.507 215 Q N 1.918 121.670 119.800 -0.080 0.000 2.571 215 Q HA 0.178 4.519 4.340 0.001 0.000 0.243 215 Q C -0.134 175.841 176.000 -0.042 0.000 1.055 215 Q CA -0.158 55.599 55.803 -0.076 0.000 0.815 215 Q CB 1.054 29.725 28.738 -0.112 0.000 1.151 215 Q HN 0.949 nan 8.270 nan 0.000 0.519 216 E N 2.616 122.807 120.200 -0.015 0.000 2.436 216 E HA 0.115 4.465 4.350 0.001 0.000 0.262 216 E C -0.354 176.246 176.600 0.000 0.000 1.063 216 E CA 0.285 56.691 56.400 0.009 0.000 0.944 216 E CB 0.571 30.314 29.700 0.071 0.000 0.950 216 E HN 0.462 nan 8.360 nan 0.000 0.444 217 R N 0.599 121.096 120.500 -0.005 0.000 2.753 217 R HA 0.238 4.578 4.340 0.001 0.000 0.272 217 R C -1.519 174.771 176.300 -0.017 0.000 1.034 217 R CA -0.705 55.390 56.100 -0.007 0.000 0.869 217 R CB 0.661 30.953 30.300 -0.014 0.000 1.264 217 R HN 0.254 nan 8.270 nan 0.000 0.481 218 S N 0.815 116.509 115.700 -0.009 0.000 2.510 218 S HA 0.552 5.022 4.470 0.001 0.000 0.279 218 S C 0.336 174.909 174.600 -0.046 0.000 1.284 218 S CA 0.138 58.328 58.200 -0.016 0.000 1.059 218 S CB -0.017 63.188 63.200 0.007 0.000 0.901 218 S HN 0.822 nan 8.310 nan 0.000 0.491 219 A N 4.268 127.039 122.820 -0.081 0.000 2.536 219 A HA 0.523 4.844 4.320 0.001 0.000 0.234 219 A C 0.897 178.418 177.584 -0.104 0.000 1.076 219 A CA 0.276 52.238 52.037 -0.124 0.000 0.769 219 A CB -0.348 18.533 19.000 -0.200 0.000 1.020 219 A HN 0.992 nan 8.150 nan 0.000 0.508 220 G N -0.752 107.978 108.800 -0.116 0.000 2.601 220 G HA2 0.459 4.419 3.960 0.001 0.000 0.317 220 G HA3 0.459 4.419 3.960 0.001 0.000 0.317 220 G C -0.253 174.568 174.900 -0.132 0.000 1.246 220 G CA -0.445 44.596 45.100 -0.098 0.000 1.012 220 G HN 1.023 nan 8.290 nan 0.000 0.494 221 N N -0.940 117.668 118.700 -0.153 0.000 2.669 221 N HA -0.167 4.574 4.740 0.001 0.000 0.266 221 N C -0.596 174.835 175.510 -0.130 0.000 1.024 221 N CA 1.149 54.047 53.050 -0.253 0.000 0.766 221 N CB -1.044 37.233 38.487 -0.350 0.000 0.898 221 N HN 0.524 nan 8.380 nan 0.000 0.548 222 I N -0.991 119.523 120.570 -0.093 0.000 2.841 222 I HA 0.301 4.471 4.170 0.001 0.000 0.298 222 I C 0.103 176.152 176.117 -0.114 0.000 1.304 222 I CA -1.326 59.931 61.300 -0.072 0.000 1.019 222 I CB 2.428 40.376 38.000 -0.087 0.000 1.282 222 I HN -0.093 nan 8.210 nan 0.000 0.432 223 V N 1.954 121.768 119.914 -0.167 0.000 2.509 223 V HA 0.642 4.763 4.120 0.001 0.000 0.284 223 V C -0.589 175.323 176.094 -0.303 0.000 1.047 223 V CA -0.253 61.887 62.300 -0.267 0.000 0.952 223 V CB 1.221 32.801 31.823 -0.405 0.000 0.988 223 V HN 0.836 nan 8.190 nan 0.000 0.469 224 Q N 2.649 122.212 119.800 -0.394 0.000 2.320 224 Q HA 0.668 5.008 4.340 0.001 0.000 0.272 224 Q C -1.305 174.228 176.000 -0.778 0.000 1.023 224 Q CA -0.890 54.588 55.803 -0.540 0.000 0.855 224 Q CB 2.994 31.395 28.738 -0.562 0.000 1.367 224 Q HN 0.929 nan 8.270 nan 0.000 0.406 225 V N -0.930 118.582 119.914 -0.671 0.000 2.483 225 V HA 0.732 4.852 4.120 0.001 0.000 0.295 225 V C -0.809 174.989 176.094 -0.493 0.000 1.035 225 V CA -0.573 61.406 62.300 -0.535 0.000 0.896 225 V CB 0.775 32.434 31.823 -0.274 0.000 0.986 225 V HN 0.658 nan 8.190 nan 0.000 0.447 226 F N 1.560 121.436 119.950 -0.122 0.000 2.547 226 F HA 0.548 5.075 4.527 0.001 0.000 0.316 226 F C 0.432 176.123 175.800 -0.182 0.000 1.121 226 F CA -1.060 56.860 58.000 -0.134 0.000 0.911 226 F CB 2.368 41.317 39.000 -0.086 0.000 1.179 226 F HN 0.418 nan 8.300 nan 0.000 0.443 227 K N 3.098 123.475 120.400 -0.038 0.000 2.237 227 K HA 0.292 4.613 4.320 0.001 0.000 0.270 227 K C -0.228 176.369 176.600 -0.005 0.000 1.015 227 K CA -0.689 55.506 56.287 -0.154 0.000 0.949 227 K CB 0.900 33.287 32.500 -0.189 0.000 0.976 227 K HN 0.376 nan 8.250 nan 0.000 0.472 228 K N 0.946 121.371 120.400 0.042 0.000 2.123 228 K HA 0.352 4.672 4.320 0.001 0.000 0.248 228 K C -0.286 176.323 176.600 0.015 0.000 0.969 228 K CA -0.623 55.679 56.287 0.025 0.000 0.882 228 K CB 1.771 34.286 32.500 0.025 0.000 1.080 228 K HN 0.743 nan 8.250 nan 0.000 0.441 229 A N 1.022 123.839 122.820 -0.004 0.000 2.492 229 A HA 0.252 4.572 4.320 0.001 0.000 0.236 229 A C 1.415 178.999 177.584 0.001 0.000 1.078 229 A CA 0.859 52.892 52.037 -0.006 0.000 0.773 229 A CB -0.101 18.890 19.000 -0.015 0.000 1.023 229 A HN 0.800 nan 8.150 nan 0.000 0.504 230 A N 1.643 124.464 122.820 0.001 0.000 1.927 230 A HA -0.039 4.282 4.320 0.001 0.000 0.220 230 A C -0.656 176.928 177.584 -0.001 0.000 1.185 230 A CA 1.884 53.923 52.037 0.004 0.000 0.639 230 A CB -1.501 17.500 19.000 0.002 0.000 0.820 230 A HN 0.750 nan 8.150 nan 0.000 0.451 231 P HA 0.425 nan 4.420 nan 0.000 0.273 231 P C -0.744 176.548 177.300 -0.013 0.000 1.531 231 P CA 0.266 63.361 63.100 -0.007 0.000 1.027 231 P CB 0.789 32.485 31.700 -0.007 0.000 1.387 232 S N 4.174 119.864 115.700 -0.017 0.000 2.712 232 S HA 0.309 4.779 4.470 0.001 0.000 0.279 232 S C -2.446 172.126 174.600 -0.046 0.000 1.025 232 S CA -0.722 57.458 58.200 -0.033 0.000 0.861 232 S CB 0.773 63.950 63.200 -0.038 0.000 1.091 232 S HN 0.168 nan 8.310 nan 0.000 0.457 233 P HA 0.277 nan 4.420 nan 0.000 0.220 233 P C 0.204 177.393 177.300 -0.185 0.000 1.154 233 P CA 0.463 63.501 63.100 -0.104 0.000 0.830 233 P CB -0.163 31.473 31.700 -0.107 0.000 0.803 234 I N 1.195 121.605 120.570 -0.266 0.000 2.452 234 I HA 0.039 4.209 4.170 0.001 0.000 0.287 234 I C 2.031 178.098 176.117 -0.083 0.000 1.079 234 I CA 0.300 61.445 61.300 -0.259 0.000 1.387 234 I CB 0.470 38.301 38.000 -0.282 0.000 1.404 234 I HN -0.071 nan 8.210 nan 0.000 0.522 235 S N 6.195 121.869 115.700 -0.043 0.000 2.326 235 S HA 0.042 4.512 4.470 0.001 0.000 0.211 235 S C 0.631 175.398 174.600 0.280 0.000 1.031 235 S CA 0.968 59.191 58.200 0.039 0.000 0.985 235 S CB -0.033 63.086 63.200 -0.135 0.000 0.961 235 S HN 0.667 nan 8.310 nan 0.000 0.436 236 H N -1.302 117.752 119.070 -0.026 0.000 2.797 236 H HA 0.741 5.297 4.556 0.001 0.000 0.372 236 H C -1.462 173.848 175.328 -0.031 0.000 1.168 236 H CA -1.272 54.764 56.048 -0.020 0.000 1.163 236 H CB 2.050 31.794 29.762 -0.028 0.000 1.778 236 H HN 0.173 nan 8.280 nan 0.000 0.551 237 V N 0.648 120.609 119.914 0.078 0.000 3.012 237 V HA 0.512 4.633 4.120 0.001 0.000 0.307 237 V C -0.906 175.119 176.094 -0.115 0.000 1.166 237 V CA -0.853 61.446 62.300 -0.002 0.000 0.974 237 V CB 1.965 33.797 31.823 0.015 0.000 1.040 237 V HN 0.907 nan 8.190 nan 0.000 0.428 238 A N 2.831 125.570 122.820 -0.135 0.000 2.273 238 A HA 0.797 5.117 4.320 0.001 0.000 0.315 238 A C -0.414 177.048 177.584 -0.204 0.000 1.256 238 A CA -0.455 51.445 52.037 -0.228 0.000 0.851 238 A CB 0.560 19.436 19.000 -0.206 0.000 1.172 238 A HN 0.820 nan 8.150 nan 0.000 0.508 239 E N 1.113 121.148 120.200 -0.275 0.000 2.207 239 E HA 0.671 5.022 4.350 0.001 0.000 0.270 239 E C -1.372 175.128 176.600 -0.166 0.000 0.927 239 E CA -0.567 55.728 56.400 -0.175 0.000 0.799 239 E CB 2.536 32.169 29.700 -0.113 0.000 1.172 239 E HN 0.636 nan 8.360 nan 0.000 0.404 240 I N 1.733 122.242 120.570 -0.101 0.000 2.627 240 I HA 0.236 4.406 4.170 0.001 0.000 0.288 240 I C -1.311 174.771 176.117 -0.059 0.000 1.202 240 I CA -0.504 60.749 61.300 -0.078 0.000 1.050 240 I CB 1.059 39.039 38.000 -0.033 0.000 1.264 240 I HN 0.414 nan 8.210 nan 0.000 0.429 241 R N 5.241 125.704 120.500 -0.062 0.000 2.235 241 R HA 0.318 4.658 4.340 0.001 0.000 0.338 241 R C -0.155 176.103 176.300 -0.070 0.000 1.087 241 R CA -0.342 55.728 56.100 -0.049 0.000 0.948 241 R CB 0.751 31.030 30.300 -0.036 0.000 1.099 241 R HN 0.638 nan 8.270 nan 0.000 0.483 242 S N 1.302 116.975 115.700 -0.046 0.000 2.499 242 S HA 0.714 5.184 4.470 0.001 0.000 0.279 242 S C -0.148 174.475 174.600 0.038 0.000 1.219 242 S CA -0.829 57.353 58.200 -0.029 0.000 1.062 242 S CB 1.943 65.175 63.200 0.054 0.000 0.978 242 S HN 0.641 nan 8.310 nan 0.000 0.489 243 A N 3.440 126.287 122.820 0.045 0.000 2.491 243 A HA 0.530 4.850 4.320 0.001 0.000 0.293 243 A C -0.672 176.964 177.584 0.086 0.000 1.047 243 A CA -0.845 51.246 52.037 0.090 0.000 0.735 243 A CB 0.748 19.785 19.000 0.062 0.000 1.281 243 A HN 0.854 nan 8.150 nan 0.000 0.398 244 L N 2.774 124.057 121.223 0.100 0.000 2.534 244 L HA 0.069 4.410 4.340 0.001 0.000 0.271 244 L C 1.674 178.579 176.870 0.058 0.000 1.178 244 L CA -0.008 54.875 54.840 0.073 0.000 0.907 244 L CB 0.505 42.587 42.059 0.038 0.000 1.164 244 L HN 0.974 nan 8.230 nan 0.000 0.482 245 E N 2.762 122.999 120.200 0.062 0.000 2.187 245 E HA -0.193 4.158 4.350 0.001 0.000 0.199 245 E C -0.207 176.428 176.600 0.060 0.000 1.004 245 E CA 1.456 57.891 56.400 0.059 0.000 0.813 245 E CB 0.134 29.874 29.700 0.067 0.000 0.736 245 E HN 0.503 nan 8.360 nan 0.000 0.468 246 K N -1.428 119.002 120.400 0.051 0.000 2.561 246 K HA 0.446 4.766 4.320 0.001 0.000 0.254 246 K C -0.939 175.672 176.600 0.018 0.000 0.942 246 K CA -0.021 56.293 56.287 0.046 0.000 0.818 246 K CB 2.404 34.937 32.500 0.056 0.000 1.306 246 K HN 0.100 nan 8.250 nan 0.000 0.435 247 G N 1.229 110.029 108.800 -0.001 0.000 2.768 247 G HA2 -0.024 3.937 3.960 0.001 0.000 0.666 247 G HA3 -0.024 3.937 3.960 0.001 0.000 0.666 247 G C 0.155 174.997 174.900 -0.098 0.000 1.162 247 G CA 0.004 45.077 45.100 -0.044 0.000 1.226 247 G HN 0.768 nan 8.290 nan 0.000 0.535 248 S N 0.606 116.239 115.700 -0.112 0.000 2.868 248 S HA -0.323 4.147 4.470 0.001 0.000 0.270 248 S C 1.444 175.971 174.600 -0.121 0.000 1.300 248 S CA 2.468 60.562 58.200 -0.177 0.000 1.362 248 S CB -0.956 62.029 63.200 -0.358 0.000 1.685 248 S HN 2.169 nan 8.310 nan 0.000 0.682 249 R N 0.039 120.513 120.500 -0.044 0.000 2.470 249 R HA -0.158 4.183 4.340 0.001 0.000 0.230 249 R C 0.061 176.452 176.300 0.152 0.000 0.785 249 R CA 1.054 57.182 56.100 0.047 0.000 0.566 249 R CB -2.114 28.222 30.300 0.060 0.000 1.388 249 R HN 0.559 nan 8.270 nan 0.000 0.534 250 F N 1.393 121.364 119.950 0.034 0.000 2.572 250 F HA 0.032 4.559 4.527 0.001 0.000 0.370 250 F C 1.555 177.377 175.800 0.037 0.000 1.103 250 F CA -0.280 57.745 58.000 0.041 0.000 1.286 250 F CB 0.560 39.584 39.000 0.042 0.000 1.105 250 F HN 0.262 nan 8.300 nan 0.000 0.583 251 I N 4.050 124.755 120.570 0.224 0.000 2.934 251 I HA 0.071 4.241 4.170 0.001 0.000 0.312 251 I C -0.518 175.608 176.117 0.015 0.000 1.342 251 I CA -0.219 61.138 61.300 0.095 0.000 0.946 251 I CB 0.282 38.332 38.000 0.084 0.000 2.034 251 I HN 0.331 nan 8.210 nan 0.000 0.604 252 S N 0.769 116.450 115.700 -0.031 0.000 2.442 252 S HA 0.513 4.983 4.470 0.001 0.000 0.297 252 S C 0.095 174.665 174.600 -0.050 0.000 1.131 252 S CA -0.530 57.623 58.200 -0.079 0.000 1.092 252 S CB 1.358 64.459 63.200 -0.166 0.000 0.998 252 S HN 0.243 nan 8.310 nan 0.000 0.478 253 T N 3.747 118.275 114.554 -0.043 0.000 2.909 253 T HA 0.457 4.808 4.350 0.001 0.000 0.289 253 T C -0.501 174.162 174.700 -0.062 0.000 1.005 253 T CA -0.403 61.672 62.100 -0.041 0.000 1.084 253 T CB 0.681 69.535 68.868 -0.023 0.000 0.975 253 T HN 0.615 nan 8.240 nan 0.000 0.509 254 L N 3.331 124.509 121.223 -0.075 0.000 2.325 254 L HA 0.422 4.763 4.340 0.001 0.000 0.281 254 L C -0.594 176.231 176.870 -0.076 0.000 1.004 254 L CA -0.148 54.629 54.840 -0.105 0.000 0.823 254 L CB 1.399 43.357 42.059 -0.168 0.000 1.236 254 L HN 0.580 nan 8.230 nan 0.000 0.415 255 Q N 4.084 123.852 119.800 -0.053 0.000 2.316 255 Q HA 0.610 4.950 4.340 0.001 0.000 0.264 255 Q C -1.322 174.669 176.000 -0.015 0.000 0.987 255 Q CA -0.836 54.949 55.803 -0.031 0.000 0.852 255 Q CB 2.870 31.606 28.738 -0.004 0.000 1.287 255 Q HN 0.483 nan 8.270 nan 0.000 0.448 256 V N 3.652 123.554 119.914 -0.020 0.000 2.289 256 V HA 0.200 4.321 4.120 0.001 0.000 0.272 256 V C 0.093 176.199 176.094 0.020 0.000 1.026 256 V CA -0.548 61.755 62.300 0.004 0.000 0.807 256 V CB 0.780 32.589 31.823 -0.022 0.000 1.044 256 V HN 0.680 nan 8.190 nan 0.000 0.443 257 K N 2.720 123.159 120.400 0.066 0.000 3.018 257 K HA 0.592 4.912 4.320 0.001 0.000 0.341 257 K C -0.382 176.275 176.600 0.096 0.000 1.018 257 K CA -0.392 55.939 56.287 0.074 0.000 1.146 257 K CB 0.251 32.813 32.500 0.104 0.000 1.160 257 K HN 0.359 nan 8.250 nan 0.000 0.471 258 L N 0.247 121.548 121.223 0.130 0.000 3.436 258 L HA 0.176 4.516 4.340 0.001 0.000 0.214 258 L C -1.613 175.331 176.870 0.124 0.000 1.065 258 L CA -0.130 54.784 54.840 0.124 0.000 1.280 258 L CB -0.861 41.216 42.059 0.030 0.000 1.519 258 L HN 0.393 nan 8.230 nan 0.000 0.702 259 Y N 1.965 122.262 120.300 -0.006 0.000 2.648 259 Y HA 0.406 4.957 4.550 0.001 0.000 0.353 259 Y C 1.644 177.533 175.900 -0.019 0.000 1.271 259 Y CA 1.408 59.506 58.100 -0.004 0.000 1.483 259 Y CB 0.176 38.638 38.460 0.004 0.000 1.359 259 Y HN 0.932 nan 8.280 nan 0.000 0.669 260 G N 1.849 110.724 108.800 0.125 0.000 3.413 260 G HA2 -0.185 3.776 3.960 0.001 0.000 0.556 260 G HA3 -0.185 3.776 3.960 0.001 0.000 0.556 260 G C 0.096 174.995 174.900 -0.002 0.000 0.870 260 G CA -0.810 44.323 45.100 0.056 0.000 0.729 260 G HN 0.489 nan 8.290 nan 0.000 0.428 261 R N 0.982 121.477 120.500 -0.009 0.000 3.271 261 R HA 0.150 4.490 4.340 0.001 0.000 0.245 261 R C 1.102 177.379 176.300 -0.038 0.000 1.112 261 R CA -0.032 56.054 56.100 -0.024 0.000 1.102 261 R CB -0.032 30.263 30.300 -0.008 0.000 0.928 261 R HN 0.789 nan 8.270 nan 0.000 0.497 262 E N 0.037 120.217 120.200 -0.032 0.000 2.003 262 E HA 0.227 4.578 4.350 0.001 0.000 0.279 262 E C 0.214 176.803 176.600 -0.018 0.000 1.132 262 E CA 0.481 56.860 56.400 -0.035 0.000 0.888 262 E CB -0.187 29.501 29.700 -0.021 0.000 1.056 262 E HN 0.652 nan 8.360 nan 0.000 0.399 263 G N 3.272 112.060 108.800 -0.019 0.000 2.906 263 G HA2 -0.281 3.679 3.960 0.001 0.000 0.196 263 G HA3 -0.281 3.679 3.960 0.001 0.000 0.196 263 G C 0.070 174.968 174.900 -0.003 0.000 2.215 263 G CA -0.238 44.857 45.100 -0.008 0.000 1.518 263 G HN 0.894 nan 8.290 nan 0.000 0.495 264 S N 1.373 117.074 115.700 0.002 0.000 2.806 264 S HA 0.305 4.775 4.470 0.001 0.000 0.334 264 S C 0.677 175.283 174.600 0.010 0.000 1.226 264 S CA 0.918 59.123 58.200 0.009 0.000 1.017 264 S CB 0.335 63.544 63.200 0.016 0.000 0.712 264 S HN 2.191 nan 8.310 nan 0.000 0.491 265 S N 2.369 118.077 115.700 0.013 0.000 2.531 265 S HA 0.532 5.003 4.470 0.001 0.000 0.279 265 S C 0.673 175.283 174.600 0.016 0.000 1.305 265 S CA -0.401 57.806 58.200 0.012 0.000 1.058 265 S CB 0.352 63.559 63.200 0.011 0.000 0.899 265 S HN 2.465 nan 8.310 nan 0.000 0.493 266 A N 2.314 125.141 122.820 0.012 0.000 3.630 266 A HA -0.111 4.209 4.320 0.001 0.000 0.242 266 A C 0.334 177.932 177.584 0.023 0.000 1.288 266 A CA -0.142 51.903 52.037 0.013 0.000 0.791 266 A CB -2.127 16.881 19.000 0.014 0.000 0.997 266 A HN 0.832 nan 8.150 nan 0.000 0.505 267 R N 1.127 121.637 120.500 0.017 0.000 3.206 267 R HA 0.156 4.496 4.340 0.001 0.000 0.209 267 R C 0.875 177.194 176.300 0.030 0.000 1.632 267 R CA 0.826 56.940 56.100 0.025 0.000 1.234 267 R CB -0.173 30.122 30.300 -0.008 0.000 1.270 267 R HN 0.698 nan 8.270 nan 0.000 0.665 268 T N 1.311 115.891 114.554 0.043 0.000 2.828 268 T HA 0.334 4.684 4.350 0.001 0.000 0.290 268 T C 0.408 175.143 174.700 0.059 0.000 1.019 268 T CA -0.312 61.799 62.100 0.018 0.000 1.031 268 T CB 0.586 69.423 68.868 -0.050 0.000 1.001 268 T HN 0.316 nan 8.240 nan 0.000 0.531 269 I N 3.267 123.860 120.570 0.040 0.000 2.406 269 I HA 0.478 4.648 4.170 0.001 0.000 0.290 269 I C 0.013 176.163 176.117 0.056 0.000 0.999 269 I CA -0.825 60.520 61.300 0.076 0.000 1.124 269 I CB 1.784 39.824 38.000 0.067 0.000 1.289 269 I HN 0.609 nan 8.210 nan 0.000 0.441 270 K N 4.597 125.061 120.400 0.107 0.000 2.482 270 K HA 0.900 5.221 4.320 0.001 0.000 0.257 270 K C -1.287 175.384 176.600 0.119 0.000 0.969 270 K CA -0.849 55.485 56.287 0.079 0.000 0.842 270 K CB 2.968 35.477 32.500 0.015 0.000 1.359 270 K HN 0.634 nan 8.250 nan 0.000 0.441 271 A N 0.923 123.795 122.820 0.087 0.000 2.449 271 A HA 0.620 4.940 4.320 0.001 0.000 0.302 271 A C -0.945 176.682 177.584 0.072 0.000 1.048 271 A CA -0.683 51.398 52.037 0.073 0.000 0.708 271 A CB 1.530 20.561 19.000 0.051 0.000 1.274 271 A HN 0.536 nan 8.150 nan 0.000 0.410 272 T N 2.228 116.815 114.554 0.054 0.000 2.837 272 T HA 0.604 4.954 4.350 0.001 0.000 0.285 272 T C -0.294 174.419 174.700 0.021 0.000 0.984 272 T CA -0.077 62.052 62.100 0.048 0.000 1.049 272 T CB 0.451 69.344 68.868 0.042 0.000 0.947 272 T HN 0.439 nan 8.240 nan 0.000 0.472 273 L N 4.496 125.742 121.223 0.038 0.000 2.365 273 L HA 0.461 4.801 4.340 0.001 0.000 0.273 273 L C -2.118 174.777 176.870 0.042 0.000 1.000 273 L CA -2.724 52.135 54.840 0.031 0.000 0.819 273 L CB 2.015 44.125 42.059 0.085 0.000 1.284 273 L HN 0.384 nan 8.230 nan 0.000 0.418 274 P HA -0.094 nan 4.420 nan 0.000 0.262 274 P C -0.704 176.780 177.300 0.307 0.000 1.182 274 P CA 0.475 63.660 63.100 0.142 0.000 0.761 274 P CB 0.220 31.980 31.700 0.101 0.000 0.795 275 Y N -0.490 119.779 120.300 -0.053 0.000 4.929 275 Y HA -0.198 4.353 4.550 0.001 0.000 0.252 275 Y C 0.696 176.582 175.900 -0.023 0.000 0.950 275 Y CA 0.299 58.390 58.100 -0.016 0.000 1.935 275 Y CB -2.420 36.043 38.460 0.005 0.000 1.440 275 Y HN 0.362 nan 8.280 nan 0.000 0.567 276 I N 0.743 121.364 120.570 0.086 0.000 2.359 276 I HA 0.141 4.312 4.170 0.001 0.000 0.284 276 I C 1.253 177.396 176.117 0.043 0.000 1.018 276 I CA -0.688 60.639 61.300 0.045 0.000 1.173 276 I CB 1.383 39.401 38.000 0.031 0.000 1.326 276 I HN 0.021 nan 8.210 nan 0.000 0.462 277 K N 3.463 123.888 120.400 0.042 0.000 2.286 277 K HA -0.172 4.148 4.320 0.001 0.000 0.203 277 K C 0.795 177.418 176.600 0.039 0.000 1.045 277 K CA 1.323 57.628 56.287 0.031 0.000 0.935 277 K CB 0.082 32.599 32.500 0.029 0.000 0.737 277 K HN 0.582 nan 8.250 nan 0.000 0.460 278 Q N -0.165 119.666 119.800 0.052 0.000 2.633 278 Q HA 0.128 4.469 4.340 0.001 0.000 0.292 278 Q C -1.214 174.842 176.000 0.093 0.000 1.089 278 Q CA -0.916 54.930 55.803 0.073 0.000 0.811 278 Q CB 1.824 30.608 28.738 0.076 0.000 1.472 278 Q HN -0.055 nan 8.270 nan 0.000 0.464 279 D N 0.408 120.874 120.400 0.110 0.000 2.423 279 D HA 0.477 5.118 4.640 0.001 0.000 0.255 279 D C -0.438 175.929 176.300 0.111 0.000 1.174 279 D CA 0.014 54.080 54.000 0.111 0.000 1.008 279 D CB 0.907 41.790 40.800 0.137 0.000 1.101 279 D HN 0.387 nan 8.370 nan 0.000 0.516 280 I N 0.873 121.492 120.570 0.082 0.000 2.619 280 I HA 0.187 4.357 4.170 0.001 0.000 0.292 280 I C -2.550 173.568 176.117 0.000 0.000 1.100 280 I CA -2.163 59.169 61.300 0.053 0.000 1.043 280 I CB 3.023 41.071 38.000 0.080 0.000 1.239 280 I HN -0.032 nan 8.210 nan 0.000 0.420 281 P HA 0.166 nan 4.420 nan 0.000 0.276 281 P C 1.193 178.492 177.300 -0.001 0.000 1.253 281 P CA -0.168 62.903 63.100 -0.047 0.000 0.766 281 P CB 0.645 32.288 31.700 -0.096 0.000 0.845 282 I N 1.706 122.301 120.570 0.041 0.000 2.285 282 I HA -0.351 3.819 4.170 0.001 0.000 0.254 282 I C 1.508 177.703 176.117 0.130 0.000 1.093 282 I CA 1.685 63.024 61.300 0.066 0.000 1.368 282 I CB -1.557 36.533 38.000 0.150 0.000 1.054 282 I HN 0.020 nan 8.210 nan 0.000 0.435 283 V N 2.206 122.211 119.914 0.152 0.000 2.214 283 V HA -0.314 3.807 4.120 0.001 0.000 0.247 283 V C 2.597 178.762 176.094 0.118 0.000 1.051 283 V CA 2.589 64.998 62.300 0.182 0.000 1.003 283 V CB -0.968 30.908 31.823 0.089 0.000 0.635 283 V HN 0.445 nan 8.190 nan 0.000 0.447 284 I N 0.023 120.596 120.570 0.006 0.000 2.229 284 I HA -0.324 3.846 4.170 0.001 0.000 0.250 284 I C 2.404 178.523 176.117 0.004 0.000 1.096 284 I CA 2.035 63.319 61.300 -0.028 0.000 1.358 284 I CB -0.546 37.376 38.000 -0.131 0.000 1.047 284 I HN 0.294 nan 8.210 nan 0.000 0.422 285 I N -0.340 120.218 120.570 -0.021 0.000 2.493 285 I HA -0.267 3.903 4.170 0.001 0.000 0.254 285 I C 2.328 178.349 176.117 -0.159 0.000 1.160 285 I CA 1.534 62.773 61.300 -0.101 0.000 1.445 285 I CB -0.300 37.619 38.000 -0.136 0.000 1.086 285 I HN 0.119 nan 8.210 nan 0.000 0.433 286 F N 0.777 120.712 119.950 -0.024 0.000 2.234 286 F HA -0.064 4.463 4.527 0.001 0.000 0.296 286 F C 2.681 178.462 175.800 -0.033 0.000 1.089 286 F CA 0.896 58.874 58.000 -0.037 0.000 1.343 286 F CB -0.050 38.950 39.000 -0.000 0.000 1.040 286 F HN -0.156 nan 8.300 nan 0.000 0.498 287 R N -0.206 120.398 120.500 0.175 0.000 2.119 287 R HA -0.012 4.329 4.340 0.001 0.000 0.222 287 R C 2.311 178.643 176.300 0.053 0.000 1.088 287 R CA 0.870 57.030 56.100 0.100 0.000 0.984 287 R CB -0.493 29.851 30.300 0.073 0.000 0.884 287 R HN 0.194 nan 8.270 nan 0.000 0.447 288 A N 0.933 123.769 122.820 0.026 0.000 2.070 288 A HA -0.083 4.237 4.320 0.001 0.000 0.220 288 A C 1.848 179.414 177.584 -0.029 0.000 1.159 288 A CA 1.009 53.044 52.037 -0.004 0.000 0.656 288 A CB -0.281 18.705 19.000 -0.023 0.000 0.800 288 A HN 0.205 nan 8.150 nan 0.000 0.453 289 L N -1.131 120.072 121.223 -0.033 0.000 2.612 289 L HA 0.194 4.535 4.340 0.001 0.000 0.230 289 L C 1.455 178.333 176.870 0.014 0.000 1.140 289 L CA 0.485 55.296 54.840 -0.048 0.000 0.896 289 L CB -0.116 41.890 42.059 -0.088 0.000 1.065 289 L HN 0.578 nan 8.230 nan 0.000 0.447 290 G N 1.056 109.877 108.800 0.035 0.000 2.149 290 G HA2 -0.269 3.691 3.960 0.001 0.000 0.235 290 G HA3 -0.269 3.691 3.960 0.001 0.000 0.235 290 G C 0.155 175.096 174.900 0.069 0.000 1.018 290 G CA -0.156 44.971 45.100 0.045 0.000 0.728 290 G HN 0.354 nan 8.290 nan 0.000 0.508 291 I N 0.923 121.550 120.570 0.095 0.000 2.859 291 I HA 0.306 4.476 4.170 0.001 0.000 0.296 291 I C 1.715 177.883 176.117 0.085 0.000 1.300 291 I CA -0.729 60.636 61.300 0.108 0.000 1.020 291 I CB 0.206 38.301 38.000 0.159 0.000 1.823 291 I HN 0.083 nan 8.210 nan 0.000 0.599 292 I N 3.234 123.840 120.570 0.061 0.000 2.226 292 I HA -0.065 4.106 4.170 0.001 0.000 0.245 292 I C -1.057 175.084 176.117 0.041 0.000 1.100 292 I CA 0.746 62.076 61.300 0.050 0.000 1.374 292 I CB -1.065 36.959 38.000 0.039 0.000 1.057 292 I HN 0.319 nan 8.210 nan 0.000 0.413 293 P HA 0.140 nan 4.420 nan 0.000 0.285 293 P C -0.946 176.352 177.300 -0.002 0.000 1.259 293 P CA -0.139 62.971 63.100 0.016 0.000 0.794 293 P CB 0.904 32.608 31.700 0.007 0.000 0.940 294 D N 1.296 121.698 120.400 0.004 0.000 2.312 294 D HA 0.161 4.801 4.640 0.001 0.000 0.244 294 D C 1.834 178.112 176.300 -0.037 0.000 1.328 294 D CA 0.941 54.933 54.000 -0.013 0.000 0.965 294 D CB -0.552 40.248 40.800 0.000 0.000 1.140 294 D HN 0.660 nan 8.370 nan 0.000 0.523 295 G N -0.220 108.552 108.800 -0.047 0.000 2.826 295 G HA2 -0.481 3.479 3.960 0.001 0.000 0.235 295 G HA3 -0.481 3.479 3.960 0.001 0.000 0.235 295 G C 1.103 175.952 174.900 -0.086 0.000 1.159 295 G CA 1.126 46.192 45.100 -0.056 0.000 0.756 295 G HN 0.599 nan 8.290 nan 0.000 0.525 296 E N 0.150 120.294 120.200 -0.093 0.000 2.158 296 E HA 0.187 4.538 4.350 0.001 0.000 0.191 296 E C 2.630 179.096 176.600 -0.224 0.000 0.982 296 E CA 0.611 56.925 56.400 -0.143 0.000 0.823 296 E CB -0.106 29.545 29.700 -0.083 0.000 0.766 296 E HN 0.667 nan 8.360 nan 0.000 0.468 297 I N 0.902 121.358 120.570 -0.189 0.000 2.286 297 I HA -0.228 3.942 4.170 0.001 0.000 0.245 297 I C 1.945 177.874 176.117 -0.314 0.000 1.104 297 I CA 0.513 61.600 61.300 -0.355 0.000 1.397 297 I CB -0.010 37.824 38.000 -0.278 0.000 1.072 297 I HN 0.248 nan 8.210 nan 0.000 0.417 298 L N 0.250 121.378 121.223 -0.158 0.000 2.275 298 L HA -0.145 4.195 4.340 0.001 0.000 0.215 298 L C 2.464 179.320 176.870 -0.024 0.000 1.119 298 L CA 1.471 56.270 54.840 -0.068 0.000 0.790 298 L CB -1.195 40.843 42.059 -0.035 0.000 0.919 298 L HN 0.338 nan 8.230 nan 0.000 0.443 299 E N -0.470 119.670 120.200 -0.101 0.000 2.051 299 E HA -0.206 4.145 4.350 0.001 0.000 0.192 299 E C 2.077 178.693 176.600 0.027 0.000 0.991 299 E CA 1.003 57.363 56.400 -0.067 0.000 0.799 299 E CB -0.157 29.409 29.700 -0.223 0.000 0.748 299 E HN 0.569 nan 8.360 nan 0.000 0.449 300 H N 0.188 119.219 119.070 -0.064 0.000 2.387 300 H HA -0.035 4.522 4.556 0.001 0.000 0.299 300 H C 2.279 177.839 175.328 0.387 0.000 1.090 300 H CA 0.917 56.935 56.048 -0.049 0.000 1.332 300 H CB 0.027 29.554 29.762 -0.391 0.000 1.386 300 H HN 0.187 nan 8.280 nan 0.000 0.516 301 I N -0.450 120.320 120.570 0.335 0.000 2.364 301 I HA -0.097 4.074 4.170 0.001 0.000 0.241 301 I C 1.174 177.387 176.117 0.160 0.000 1.082 301 I CA 0.275 61.737 61.300 0.270 0.000 1.401 301 I CB 0.279 38.367 38.000 0.146 0.000 1.126 301 I HN 0.094 nan 8.210 nan 0.000 0.429 302 C N 0.940 120.350 119.300 0.184 0.000 2.330 302 C HA 0.256 4.716 4.460 0.001 0.000 0.344 302 C C 0.983 176.243 174.990 0.450 0.000 1.273 302 C CA -0.344 58.760 59.018 0.143 0.000 1.879 302 C CB -0.434 27.360 27.740 0.089 0.000 2.376 302 C HN 0.431 nan 8.230 nan 0.000 0.534 303 Y N 2.224 122.635 120.300 0.185 0.000 2.507 303 Y HA 0.283 4.833 4.550 0.001 0.000 0.254 303 Y C 0.793 176.791 175.900 0.163 0.000 1.171 303 Y CA -0.447 57.786 58.100 0.222 0.000 1.238 303 Y CB 0.371 39.010 38.460 0.298 0.000 1.148 303 Y HN 0.631 nan 8.280 nan 0.000 0.525 304 D N 0.473 121.024 120.400 0.251 0.000 2.763 304 D HA 0.141 4.782 4.640 0.001 0.000 0.235 304 D C 0.059 176.429 176.300 0.116 0.000 1.334 304 D CA -0.182 53.919 54.000 0.167 0.000 0.950 304 D CB 2.508 43.394 40.800 0.144 0.000 1.433 304 D HN -0.101 nan 8.370 nan 0.000 0.580 305 V N 3.493 123.456 119.914 0.082 0.000 3.623 305 V HA 0.006 4.126 4.120 0.001 0.000 0.274 305 V C 1.051 177.195 176.094 0.083 0.000 1.244 305 V CA 0.575 62.906 62.300 0.052 0.000 1.182 305 V CB -0.780 31.033 31.823 -0.016 0.000 0.925 305 V HN 0.466 nan 8.190 nan 0.000 0.462 306 N N 0.377 119.143 118.700 0.110 0.000 2.328 306 N HA 0.091 4.832 4.740 0.001 0.000 0.247 306 N C 0.371 176.013 175.510 0.220 0.000 1.165 306 N CA 0.087 53.228 53.050 0.153 0.000 0.873 306 N CB 0.605 39.162 38.487 0.118 0.000 1.125 306 N HN 0.346 nan 8.380 nan 0.000 0.513 307 D N 0.709 121.212 120.400 0.172 0.000 2.892 307 D HA 0.019 4.659 4.640 0.001 0.000 0.291 307 D C 1.543 177.855 176.300 0.020 0.000 1.341 307 D CA -0.609 53.432 54.000 0.070 0.000 0.844 307 D CB 0.013 40.825 40.800 0.019 0.000 1.093 307 D HN 0.204 nan 8.370 nan 0.000 0.480 308 W N 0.811 122.113 121.300 0.003 0.000 2.256 308 W HA -0.320 4.341 4.660 0.001 0.000 0.311 308 W C 1.219 177.736 176.519 -0.003 0.000 1.258 308 W CA 0.670 58.013 57.345 -0.003 0.000 1.269 308 W CB -1.125 28.332 29.460 -0.005 0.000 1.134 308 W HN 0.165 nan 8.180 nan 0.000 0.518 309 Q N 0.645 119.939 119.800 -0.843 0.000 1.956 309 Q HA -0.281 4.059 4.340 0.001 0.000 0.208 309 Q C 2.492 178.304 176.000 -0.314 0.000 0.998 309 Q CA 2.667 58.011 55.803 -0.764 0.000 0.855 309 Q CB -0.898 27.344 28.738 -0.827 0.000 0.928 309 Q HN 0.496 nan 8.270 nan 0.000 0.418 310 M N 0.579 120.040 119.600 -0.232 0.000 2.144 310 M HA -0.207 4.273 4.480 0.001 0.000 0.260 310 M C 1.948 178.209 176.300 -0.066 0.000 1.067 310 M CA 1.339 56.565 55.300 -0.123 0.000 1.095 310 M CB -0.039 32.506 32.600 -0.093 0.000 1.365 310 M HN 0.155 nan 8.290 nan 0.000 0.406 311 L N -0.009 121.191 121.223 -0.037 0.000 1.948 311 L HA -0.247 4.094 4.340 0.001 0.000 0.212 311 L C 2.486 179.361 176.870 0.008 0.000 1.074 311 L CA 1.852 56.699 54.840 0.011 0.000 0.753 311 L CB -1.118 40.977 42.059 0.060 0.000 0.888 311 L HN 0.317 nan 8.230 nan 0.000 0.432 312 E N 0.342 120.556 120.200 0.023 0.000 2.170 312 E HA -0.332 4.019 4.350 0.001 0.000 0.229 312 E C 2.134 178.731 176.600 -0.005 0.000 1.074 312 E CA 2.274 58.690 56.400 0.027 0.000 0.930 312 E CB -0.370 29.347 29.700 0.028 0.000 0.806 312 E HN 0.195 nan 8.360 nan 0.000 0.478 313 M N -0.618 118.960 119.600 -0.036 0.000 2.124 313 M HA -0.257 4.224 4.480 0.001 0.000 0.253 313 M C 2.478 178.771 176.300 -0.012 0.000 1.077 313 M CA 1.675 56.955 55.300 -0.035 0.000 1.085 313 M CB -1.034 31.534 32.600 -0.054 0.000 1.320 313 M HN 0.258 nan 8.290 nan 0.000 0.404 314 L N -1.098 120.123 121.223 -0.003 0.000 2.291 314 L HA -0.149 4.191 4.340 0.001 0.000 0.214 314 L C 2.456 179.331 176.870 0.009 0.000 1.120 314 L CA 0.605 55.451 54.840 0.011 0.000 0.799 314 L CB -0.537 41.531 42.059 0.016 0.000 0.925 314 L HN 0.292 nan 8.230 nan 0.000 0.446 315 K N 0.578 120.980 120.400 0.004 0.000 2.000 315 K HA -0.194 4.127 4.320 0.001 0.000 0.218 315 K C -0.319 176.278 176.600 -0.006 0.000 1.053 315 K CA 2.134 58.419 56.287 -0.003 0.000 0.946 315 K CB -1.199 31.301 32.500 -0.001 0.000 0.723 315 K HN 0.236 nan 8.250 nan 0.000 0.446 316 P HA -0.235 nan 4.420 nan 0.000 0.216 316 P C 1.718 179.018 177.300 0.000 0.000 1.150 316 P CA 1.385 64.483 63.100 -0.004 0.000 0.843 316 P CB -0.201 31.499 31.700 -0.001 0.000 0.787 317 C N -0.145 119.159 119.300 0.007 0.000 2.436 317 C HA -0.107 4.353 4.460 0.001 0.000 0.277 317 C C 2.854 177.857 174.990 0.021 0.000 1.241 317 C CA 0.964 59.991 59.018 0.014 0.000 1.721 317 C CB -1.484 26.274 27.740 0.031 0.000 2.043 317 C HN 0.072 nan 8.230 nan 0.000 0.472 318 V N 1.122 121.050 119.914 0.023 0.000 2.282 318 V HA -0.269 3.851 4.120 0.001 0.000 0.249 318 V C 2.471 178.591 176.094 0.043 0.000 1.057 318 V CA 2.535 64.854 62.300 0.031 0.000 1.032 318 V CB -0.968 30.862 31.823 0.011 0.000 0.645 318 V HN 0.611 nan 8.190 nan 0.000 0.447 319 E N -0.383 119.826 120.200 0.015 0.000 2.209 319 E HA -0.294 4.056 4.350 0.001 0.000 0.196 319 E C 1.931 178.584 176.600 0.088 0.000 0.993 319 E CA 1.474 57.889 56.400 0.026 0.000 0.819 319 E CB -0.214 29.474 29.700 -0.019 0.000 0.745 319 E HN 0.682 nan 8.360 nan 0.000 0.477 320 D N -0.073 120.351 120.400 0.041 0.000 2.078 320 D HA -0.111 4.530 4.640 0.001 0.000 0.193 320 D C 1.909 178.214 176.300 0.008 0.000 0.990 320 D CA 1.571 55.578 54.000 0.011 0.000 0.827 320 D CB -0.360 40.421 40.800 -0.031 0.000 0.975 320 D HN 0.180 nan 8.370 nan 0.000 0.451 321 G N -1.134 107.674 108.800 0.013 0.000 2.848 321 G HA2 -0.172 3.788 3.960 0.001 0.000 0.208 321 G HA3 -0.172 3.788 3.960 0.001 0.000 0.208 321 G C 1.088 176.019 174.900 0.051 0.000 1.152 321 G CA -0.095 44.996 45.100 -0.016 0.000 0.789 321 G HN 0.294 nan 8.290 nan 0.000 0.531 322 F N 1.681 121.606 119.950 -0.042 0.000 2.380 322 F HA -0.113 4.414 4.527 0.001 0.000 0.299 322 F C 1.808 177.595 175.800 -0.022 0.000 1.064 322 F CA 0.702 58.687 58.000 -0.025 0.000 1.432 322 F CB 0.201 39.190 39.000 -0.018 0.000 1.089 322 F HN 0.033 nan 8.300 nan 0.000 0.562 323 V N 0.879 120.671 119.914 -0.202 0.000 3.577 323 V HA 0.117 4.237 4.120 0.001 0.000 0.294 323 V C 0.793 176.778 176.094 -0.181 0.000 1.317 323 V CA 0.282 62.416 62.300 -0.276 0.000 1.169 323 V CB -0.909 30.824 31.823 -0.150 0.000 1.011 323 V HN 0.106 nan 8.190 nan 0.000 0.426 324 I N -0.202 120.285 120.570 -0.138 0.000 2.828 324 I HA 0.465 4.636 4.170 0.001 0.000 0.302 324 I C 0.195 176.282 176.117 -0.050 0.000 1.101 324 I CA -0.344 60.912 61.300 -0.074 0.000 1.031 324 I CB 2.701 40.669 38.000 -0.054 0.000 1.231 324 I HN -0.045 nan 8.210 nan 0.000 0.427 325 Q N 2.268 122.054 119.800 -0.024 0.000 1.859 325 Q HA 0.151 4.491 4.340 0.001 0.000 0.180 325 Q C -1.724 174.284 176.000 0.013 0.000 0.765 325 Q CA -0.148 55.654 55.803 -0.001 0.000 0.888 325 Q CB 0.676 29.405 28.738 -0.016 0.000 1.230 325 Q HN 0.729 nan 8.270 nan 0.000 0.402 326 D N -2.487 117.923 120.400 0.016 0.000 2.654 326 D HA 0.166 4.807 4.640 0.001 0.000 0.231 326 D C 0.140 176.456 176.300 0.027 0.000 1.239 326 D CA -0.656 53.358 54.000 0.022 0.000 0.790 326 D CB 0.713 41.523 40.800 0.017 0.000 1.480 326 D HN -0.019 nan 8.370 nan 0.000 0.442 327 R N 0.533 121.050 120.500 0.028 0.000 2.154 327 R HA -0.195 4.145 4.340 0.001 0.000 0.248 327 R C 1.460 177.778 176.300 0.030 0.000 1.155 327 R CA 2.022 58.139 56.100 0.029 0.000 0.979 327 R CB 0.071 30.386 30.300 0.025 0.000 0.869 327 R HN 0.575 nan 8.270 nan 0.000 0.452 328 E N -1.140 119.076 120.200 0.028 0.000 2.023 328 E HA -0.170 4.180 4.350 0.001 0.000 0.196 328 E C 1.792 178.415 176.600 0.039 0.000 1.003 328 E CA 2.027 58.445 56.400 0.030 0.000 0.809 328 E CB -0.032 29.682 29.700 0.024 0.000 0.755 328 E HN 0.387 nan 8.360 nan 0.000 0.449 329 T N 0.776 115.354 114.554 0.040 0.000 2.985 329 T HA 0.003 4.353 4.350 0.001 0.000 0.266 329 T C 1.833 176.581 174.700 0.080 0.000 1.076 329 T CA 0.718 62.851 62.100 0.056 0.000 1.135 329 T CB -0.072 68.821 68.868 0.041 0.000 0.890 329 T HN 0.215 nan 8.240 nan 0.000 0.480 330 A N 2.024 124.879 122.820 0.058 0.000 1.834 330 A HA -0.053 4.267 4.320 0.001 0.000 0.216 330 A C 2.078 179.711 177.584 0.083 0.000 1.203 330 A CA 1.444 53.517 52.037 0.060 0.000 0.621 330 A CB -1.018 18.005 19.000 0.039 0.000 0.841 330 A HN 0.378 nan 8.150 nan 0.000 0.446 331 L N 0.372 121.630 121.223 0.058 0.000 2.265 331 L HA -0.145 4.195 4.340 0.001 0.000 0.215 331 L C 2.009 178.923 176.870 0.075 0.000 1.117 331 L CA 1.962 56.834 54.840 0.053 0.000 0.782 331 L CB -0.831 41.248 42.059 0.033 0.000 0.914 331 L HN 0.662 nan 8.230 nan 0.000 0.441 332 D N -0.381 120.071 120.400 0.088 0.000 2.095 332 D HA -0.307 4.334 4.640 0.001 0.000 0.192 332 D C 2.163 178.522 176.300 0.098 0.000 0.990 332 D CA 1.423 55.473 54.000 0.083 0.000 0.836 332 D CB -0.310 40.539 40.800 0.082 0.000 0.979 332 D HN 0.166 nan 8.370 nan 0.000 0.447 333 F N 0.748 120.705 119.950 0.011 0.000 2.045 333 F HA -0.276 4.251 4.527 0.001 0.000 0.297 333 F C 2.282 178.088 175.800 0.011 0.000 1.114 333 F CA 2.057 60.063 58.000 0.010 0.000 1.207 333 F CB -0.404 38.598 39.000 0.005 0.000 0.964 333 F HN 0.097 nan 8.300 nan 0.000 0.486 334 I N -0.123 120.603 120.570 0.261 0.000 2.151 334 I HA -0.345 3.826 4.170 0.001 0.000 0.243 334 I C 2.766 178.889 176.117 0.010 0.000 1.080 334 I CA 1.543 62.924 61.300 0.135 0.000 1.339 334 I CB -1.536 36.515 38.000 0.085 0.000 1.039 334 I HN 0.363 nan 8.210 nan 0.000 0.409 335 G N 0.975 109.786 108.800 0.018 0.000 2.514 335 G HA2 -0.256 3.704 3.960 0.001 0.000 0.217 335 G HA3 -0.256 3.704 3.960 0.001 0.000 0.217 335 G C 1.765 176.700 174.900 0.058 0.000 1.198 335 G CA 0.807 45.933 45.100 0.044 0.000 0.780 335 G HN 0.324 nan 8.290 nan 0.000 0.565 336 R N -0.413 120.073 120.500 -0.024 0.000 2.070 336 R HA -0.009 4.332 4.340 0.001 0.000 0.232 336 R C 2.616 178.856 176.300 -0.100 0.000 1.138 336 R CA 1.162 57.223 56.100 -0.065 0.000 0.936 336 R CB -0.432 29.783 30.300 -0.143 0.000 0.839 336 R HN 0.103 nan 8.270 nan 0.000 0.429 337 R N 0.686 121.043 120.500 -0.239 0.000 2.332 337 R HA -0.111 4.229 4.340 0.001 0.000 0.239 337 R C 1.802 178.071 176.300 -0.052 0.000 1.160 337 R CA 1.338 57.310 56.100 -0.212 0.000 1.020 337 R CB -0.756 29.361 30.300 -0.305 0.000 0.859 337 R HN 0.451 nan 8.270 nan 0.000 0.478 338 G N -2.656 106.193 108.800 0.081 0.000 2.557 338 G HA2 -0.068 3.893 3.960 0.001 0.000 0.213 338 G HA3 -0.068 3.893 3.960 0.001 0.000 0.213 338 G C 0.289 175.314 174.900 0.209 0.000 1.221 338 G CA 0.802 45.979 45.100 0.128 0.000 0.832 338 G HN 0.352 nan 8.290 nan 0.000 0.556 339 T N 0.795 115.565 114.554 0.360 0.000 3.633 339 T HA 0.667 5.017 4.350 0.001 0.000 0.278 339 T C 0.023 174.776 174.700 0.088 0.000 0.991 339 T CA 0.046 62.255 62.100 0.183 0.000 1.036 339 T CB 0.813 69.782 68.868 0.168 0.000 1.148 339 T HN 0.501 nan 8.240 nan 0.000 0.501 340 A N 0.658 123.534 122.820 0.093 0.000 2.282 340 A HA 0.961 5.282 4.320 0.001 0.000 0.319 340 A C 0.400 177.990 177.584 0.010 0.000 1.121 340 A CA -0.460 51.596 52.037 0.033 0.000 0.836 340 A CB 0.887 19.922 19.000 0.060 0.000 1.146 340 A HN 0.506 nan 8.150 nan 0.000 0.494 341 L N -0.013 121.207 121.223 -0.005 0.000 1.978 341 L HA 0.194 4.534 4.340 0.001 0.000 0.210 341 L C 1.860 178.725 176.870 -0.009 0.000 1.184 341 L CA 0.725 55.561 54.840 -0.007 0.000 1.208 341 L CB 0.096 42.151 42.059 -0.007 0.000 2.497 341 L HN 0.816 nan 8.230 nan 0.000 0.519 342 G N 0.271 109.064 108.800 -0.012 0.000 2.921 342 G HA2 0.253 4.213 3.960 0.001 0.000 0.213 342 G HA3 0.253 4.213 3.960 0.001 0.000 0.213 342 G C 0.668 175.561 174.900 -0.011 0.000 1.143 342 G CA -0.194 44.899 45.100 -0.011 0.000 0.764 342 G HN 0.056 nan 8.290 nan 0.000 0.542 343 I N 1.051 121.614 120.570 -0.013 0.000 2.919 343 I HA -0.064 4.107 4.170 0.001 0.000 0.303 343 I C 0.338 176.454 176.117 -0.001 0.000 1.221 343 I CA 0.779 62.073 61.300 -0.010 0.000 1.444 343 I CB 0.681 38.677 38.000 -0.007 0.000 1.331 343 I HN -0.016 nan 8.210 nan 0.000 0.572 344 K N 7.376 127.776 120.400 0.001 0.000 2.559 344 K HA 0.215 4.536 4.320 0.001 0.000 0.236 344 K C 0.391 176.997 176.600 0.010 0.000 1.185 344 K CA -0.371 55.919 56.287 0.004 0.000 1.157 344 K CB 0.381 32.883 32.500 0.003 0.000 1.782 344 K HN 0.522 nan 8.250 nan 0.000 0.419 345 K N 0.355 120.763 120.400 0.014 0.000 10.951 345 K HA -0.409 3.911 4.320 0.001 0.000 0.527 345 K C 1.179 177.796 176.600 0.029 0.000 0.394 345 K CA 2.458 58.757 56.287 0.022 0.000 1.929 345 K CB -0.846 31.665 32.500 0.018 0.000 0.787 345 K HN 0.466 nan 8.250 nan 0.000 1.223 346 E N 0.958 121.173 120.200 0.024 0.000 2.208 346 E HA -0.251 4.099 4.350 0.001 0.000 0.202 346 E C 1.875 178.495 176.600 0.034 0.000 1.014 346 E CA 1.853 58.269 56.400 0.027 0.000 0.819 346 E CB -0.109 29.603 29.700 0.020 0.000 0.735 346 E HN 0.375 nan 8.360 nan 0.000 0.469 347 K N 0.049 120.467 120.400 0.029 0.000 2.116 347 K HA -0.019 4.301 4.320 0.001 0.000 0.203 347 K C 2.193 178.835 176.600 0.070 0.000 1.052 347 K CA 0.448 56.753 56.287 0.031 0.000 0.952 347 K CB -0.010 32.490 32.500 0.000 0.000 0.729 347 K HN 0.001 nan 8.250 nan 0.000 0.446 348 R N 0.920 121.463 120.500 0.071 0.000 2.083 348 R HA -0.109 4.231 4.340 0.001 0.000 0.237 348 R C 2.327 178.704 176.300 0.129 0.000 1.137 348 R CA 1.530 57.699 56.100 0.114 0.000 0.951 348 R CB -0.462 29.879 30.300 0.069 0.000 0.851 348 R HN 0.173 nan 8.270 nan 0.000 0.434 349 I N 0.338 120.959 120.570 0.085 0.000 2.226 349 I HA -0.270 3.900 4.170 0.001 0.000 0.245 349 I C 2.523 178.690 176.117 0.084 0.000 1.100 349 I CA 1.148 62.491 61.300 0.072 0.000 1.374 349 I CB -0.235 37.795 38.000 0.051 0.000 1.057 349 I HN 0.148 nan 8.210 nan 0.000 0.413 350 Q N 0.118 119.973 119.800 0.091 0.000 2.170 350 Q HA -0.244 4.097 4.340 0.001 0.000 0.203 350 Q C 2.019 178.116 176.000 0.161 0.000 0.976 350 Q CA 1.633 57.494 55.803 0.096 0.000 0.858 350 Q CB -0.420 28.362 28.738 0.073 0.000 0.907 350 Q HN 0.501 nan 8.270 nan 0.000 0.433 351 Y N -0.105 120.205 120.300 0.017 0.000 2.181 351 Y HA -0.112 4.438 4.550 0.001 0.000 0.288 351 Y C 1.932 177.844 175.900 0.020 0.000 1.146 351 Y CA 1.276 59.387 58.100 0.018 0.000 1.164 351 Y CB -0.889 37.585 38.460 0.024 0.000 0.982 351 Y HN 0.147 nan 8.280 nan 0.000 0.515 352 A N 0.430 123.275 122.820 0.042 0.000 1.858 352 A HA -0.190 4.130 4.320 0.001 0.000 0.216 352 A C 2.344 179.914 177.584 -0.024 0.000 1.190 352 A CA 1.819 53.820 52.037 -0.060 0.000 0.617 352 A CB -0.681 18.314 19.000 -0.009 0.000 0.827 352 A HN 0.442 nan 8.150 nan 0.000 0.443 353 K N -0.253 120.160 120.400 0.021 0.000 1.998 353 K HA -0.257 4.063 4.320 0.001 0.000 0.228 353 K C 1.755 178.368 176.600 0.023 0.000 1.053 353 K CA 1.999 58.299 56.287 0.022 0.000 0.988 353 K CB -0.607 31.917 32.500 0.040 0.000 0.735 353 K HN 0.506 nan 8.250 nan 0.000 0.448 354 D N 0.729 121.158 120.400 0.048 0.000 2.126 354 D HA -0.217 4.424 4.640 0.001 0.000 0.190 354 D C 1.971 178.281 176.300 0.016 0.000 1.001 354 D CA 1.509 55.538 54.000 0.049 0.000 0.841 354 D CB -0.518 40.335 40.800 0.088 0.000 0.949 354 D HN 0.286 nan 8.370 nan 0.000 0.446 355 I N 0.531 121.083 120.570 -0.031 0.000 2.315 355 I HA -0.248 3.922 4.170 0.001 0.000 0.251 355 I C 2.371 178.496 176.117 0.013 0.000 1.125 355 I CA 0.751 62.001 61.300 -0.083 0.000 1.392 355 I CB -0.159 37.713 38.000 -0.213 0.000 1.065 355 I HN 0.003 nan 8.210 nan 0.000 0.424 356 L N -0.609 120.624 121.223 0.017 0.000 2.307 356 L HA -0.070 4.270 4.340 0.001 0.000 0.211 356 L C 2.421 179.325 176.870 0.056 0.000 1.099 356 L CA 0.733 55.592 54.840 0.031 0.000 0.816 356 L CB -0.297 41.710 42.059 -0.087 0.000 0.952 356 L HN 0.247 nan 8.230 nan 0.000 0.455 357 Q N -0.221 119.605 119.800 0.044 0.000 2.204 357 Q HA -0.065 4.275 4.340 0.001 0.000 0.198 357 Q C 1.737 177.779 176.000 0.069 0.000 0.946 357 Q CA 0.898 56.734 55.803 0.055 0.000 0.859 357 Q CB 0.381 29.147 28.738 0.047 0.000 0.946 357 Q HN 0.378 nan 8.270 nan 0.000 0.474 358 K N -0.512 119.929 120.400 0.070 0.000 2.365 358 K HA 0.061 4.382 4.320 0.001 0.000 0.195 358 K C 1.362 178.036 176.600 0.123 0.000 1.079 358 K CA 0.335 56.677 56.287 0.092 0.000 0.979 358 K CB 0.726 33.275 32.500 0.082 0.000 0.929 358 K HN 0.012 nan 8.250 nan 0.000 0.523 359 E N -0.010 120.229 120.200 0.066 0.000 2.330 359 E HA 0.054 4.404 4.350 0.001 0.000 0.200 359 E C -0.067 176.569 176.600 0.061 0.000 0.922 359 E CA -0.086 56.316 56.400 0.004 0.000 0.935 359 E CB 0.251 29.865 29.700 -0.143 0.000 0.917 359 E HN 0.065 nan 8.360 nan 0.000 0.491 360 F N 2.361 122.302 119.950 -0.014 0.000 2.472 360 F HA 0.110 4.637 4.527 0.001 0.000 0.364 360 F C 0.916 176.742 175.800 0.044 0.000 1.090 360 F CA -0.605 57.400 58.000 0.009 0.000 1.188 360 F CB 0.500 39.498 39.000 -0.004 0.000 1.105 360 F HN -0.118 nan 8.300 nan 0.000 0.536 361 L N 8.897 129.922 121.223 -0.330 0.000 3.936 361 L HA -0.246 4.095 4.340 0.001 0.000 0.453 361 L C -1.480 175.473 176.870 0.138 0.000 1.158 361 L CA 0.398 55.212 54.840 -0.043 0.000 0.831 361 L CB -1.171 40.923 42.059 0.058 0.000 1.746 361 L HN 0.615 nan 8.230 nan 0.000 0.912 362 P HA -0.275 nan 4.420 nan 0.000 0.221 362 P C 0.891 178.267 177.300 0.127 0.000 1.153 362 P CA 2.275 65.464 63.100 0.149 0.000 0.858 362 P CB -0.594 31.227 31.700 0.202 0.000 0.783 363 H N -1.139 117.939 119.070 0.013 0.000 2.307 363 H HA 0.177 4.733 4.556 0.001 0.000 0.349 363 H C 1.712 176.997 175.328 -0.071 0.000 1.754 363 H CA -0.022 56.016 56.048 -0.016 0.000 1.431 363 H CB 0.058 29.814 29.762 -0.011 0.000 1.666 363 H HN -0.011 nan 8.280 nan 0.000 0.582 364 I N -1.974 118.344 120.570 -0.420 0.000 4.639 364 I HA -0.385 3.785 4.170 0.001 0.000 0.047 364 I C 0.005 175.911 176.117 -0.351 0.000 0.623 364 I CA 2.101 63.113 61.300 -0.479 0.000 0.827 364 I CB -1.242 36.343 38.000 -0.693 0.000 0.758 364 I HN 0.848 nan 8.210 nan 0.000 0.158 365 T N -0.649 113.715 114.554 -0.318 0.000 3.247 365 T HA 0.230 4.580 4.350 0.001 0.000 0.395 365 T C -0.629 173.965 174.700 -0.177 0.000 1.772 365 T CA -0.389 61.511 62.100 -0.333 0.000 1.117 365 T CB 1.519 69.924 68.868 -0.772 0.000 1.626 365 T HN 0.358 nan 8.240 nan 0.000 0.481 366 Q N 2.114 121.852 119.800 -0.103 0.000 2.217 366 Q HA 0.343 4.683 4.340 0.001 0.000 0.217 366 Q C 1.655 177.652 176.000 -0.005 0.000 0.844 366 Q CA -0.150 55.644 55.803 -0.015 0.000 0.957 366 Q CB 0.546 29.295 28.738 0.019 0.000 1.127 366 Q HN 0.580 nan 8.270 nan 0.000 0.503 367 L N 0.658 121.856 121.223 -0.041 0.000 1.981 367 L HA -0.247 4.093 4.340 0.001 0.000 0.243 367 L C 1.793 178.716 176.870 0.087 0.000 1.088 367 L CA 1.958 56.813 54.840 0.025 0.000 0.849 367 L CB -0.365 41.715 42.059 0.035 0.000 0.914 367 L HN 0.276 nan 8.230 nan 0.000 0.429 368 E N -2.162 118.145 120.200 0.180 0.000 3.541 368 E HA 0.073 4.424 4.350 0.001 0.000 0.275 368 E C 1.040 177.770 176.600 0.217 0.000 1.217 368 E CA 0.411 56.907 56.400 0.160 0.000 1.883 368 E CB -0.138 29.628 29.700 0.110 0.000 1.954 368 E HN 0.348 nan 8.360 nan 0.000 0.889 369 G N 0.769 109.689 108.800 0.200 0.000 3.084 369 G HA2 0.154 4.114 3.960 0.001 0.000 0.254 369 G HA3 0.154 4.114 3.960 0.001 0.000 0.254 369 G C -0.462 174.379 174.900 -0.098 0.000 0.834 369 G CA 0.277 45.405 45.100 0.047 0.000 1.999 369 G HN 0.133 nan 8.290 nan 0.000 0.611 370 F N -0.815 119.139 119.950 0.007 0.000 2.837 370 F HA 0.264 4.792 4.527 0.001 0.000 0.328 370 F C 1.401 177.208 175.800 0.011 0.000 1.173 370 F CA -0.576 57.430 58.000 0.010 0.000 1.160 370 F CB 0.831 39.833 39.000 0.003 0.000 1.115 370 F HN 0.136 nan 8.300 nan 0.000 0.512 371 E N 0.410 120.679 120.200 0.115 0.000 2.187 371 E HA -0.221 4.129 4.350 0.001 0.000 0.199 371 E C 2.309 178.950 176.600 0.069 0.000 1.004 371 E CA 1.981 58.412 56.400 0.050 0.000 0.813 371 E CB -0.306 29.405 29.700 0.019 0.000 0.736 371 E HN 0.368 nan 8.360 nan 0.000 0.468 372 S N -0.597 115.167 115.700 0.107 0.000 2.436 372 S HA -0.008 4.463 4.470 0.001 0.000 0.228 372 S C 1.976 176.763 174.600 0.312 0.000 1.014 372 S CA 0.563 58.879 58.200 0.192 0.000 0.950 372 S CB 0.060 63.382 63.200 0.203 0.000 0.784 372 S HN 0.085 nan 8.310 nan 0.000 0.504 373 R N 1.263 121.908 120.500 0.241 0.000 2.075 373 R HA 0.179 4.519 4.340 0.001 0.000 0.226 373 R C 2.349 178.826 176.300 0.294 0.000 1.114 373 R CA 1.063 57.309 56.100 0.244 0.000 0.972 373 R CB -0.080 30.393 30.300 0.288 0.000 0.869 373 R HN 0.361 nan 8.270 nan 0.000 0.437 374 K N -0.119 120.422 120.400 0.235 0.000 2.057 374 K HA -0.080 4.240 4.320 0.001 0.000 0.207 374 K C 2.059 178.855 176.600 0.326 0.000 1.049 374 K CA 1.294 57.739 56.287 0.264 0.000 0.931 374 K CB -0.120 32.463 32.500 0.138 0.000 0.714 374 K HN 0.152 nan 8.250 nan 0.000 0.440 375 A N 1.053 123.973 122.820 0.167 0.000 1.883 375 A HA -0.179 4.142 4.320 0.001 0.000 0.217 375 A C 1.931 179.671 177.584 0.261 0.000 1.186 375 A CA 1.446 53.538 52.037 0.093 0.000 0.624 375 A CB -0.907 18.030 19.000 -0.105 0.000 0.822 375 A HN 0.246 nan 8.150 nan 0.000 0.444 376 F N -2.067 118.043 119.950 0.268 0.000 2.408 376 F HA -0.088 4.440 4.527 0.001 0.000 0.300 376 F C 1.873 178.197 175.800 0.873 0.000 1.090 376 F CA 1.057 59.350 58.000 0.489 0.000 1.427 376 F CB -0.243 38.835 39.000 0.130 0.000 1.070 376 F HN 0.303 nan 8.300 nan 0.000 0.549 377 F N -0.422 119.964 119.950 0.726 0.000 2.147 377 F HA -0.080 4.448 4.527 0.001 0.000 0.291 377 F C 2.224 178.338 175.800 0.524 0.000 1.093 377 F CA 0.731 59.145 58.000 0.690 0.000 1.263 377 F CB -0.835 38.491 39.000 0.543 0.000 1.036 377 F HN -0.133 nan 8.300 nan 0.000 0.481 378 L N 0.638 122.195 121.223 0.558 0.000 2.089 378 L HA -0.127 4.213 4.340 0.001 0.000 0.213 378 L C 2.181 179.248 176.870 0.328 0.000 1.079 378 L CA 2.346 57.379 54.840 0.322 0.000 0.758 378 L CB -1.744 40.385 42.059 0.116 0.000 0.891 378 L HN 0.211 nan 8.230 nan 0.000 0.433 379 G N -1.770 107.353 108.800 0.539 0.000 2.404 379 G HA2 -0.359 3.602 3.960 0.001 0.000 0.215 379 G HA3 -0.359 3.602 3.960 0.001 0.000 0.215 379 G C 1.553 176.719 174.900 0.443 0.000 1.174 379 G CA 0.753 46.202 45.100 0.583 0.000 0.780 379 G HN 0.536 nan 8.290 nan 0.000 0.537 380 Y N 1.152 121.661 120.300 0.347 0.000 2.193 380 Y HA -0.110 4.440 4.550 0.001 0.000 0.285 380 Y C 2.739 178.583 175.900 -0.092 0.000 1.166 380 Y CA 1.571 59.722 58.100 0.086 0.000 1.181 380 Y CB -0.293 38.090 38.460 -0.129 0.000 0.976 380 Y HN 0.174 nan 8.280 nan 0.000 0.520 381 M N -0.620 118.823 119.600 -0.261 0.000 2.064 381 M HA -0.204 4.276 4.480 0.001 0.000 0.260 381 M C 2.208 178.373 176.300 -0.226 0.000 1.073 381 M CA 2.061 57.130 55.300 -0.385 0.000 1.124 381 M CB -0.491 31.976 32.600 -0.221 0.000 1.326 381 M HN 0.216 nan 8.290 nan 0.000 0.410 382 I N 0.300 120.841 120.570 -0.049 0.000 2.248 382 I HA -0.344 3.827 4.170 0.001 0.000 0.248 382 I C 2.094 178.180 176.117 -0.052 0.000 1.107 382 I CA 1.316 62.614 61.300 -0.003 0.000 1.373 382 I CB -0.829 37.239 38.000 0.113 0.000 1.055 382 I HN 0.426 nan 8.210 nan 0.000 0.418 383 N N 1.246 119.901 118.700 -0.074 0.000 2.006 383 N HA -0.204 4.537 4.740 0.001 0.000 0.196 383 N C 1.999 177.408 175.510 -0.168 0.000 1.070 383 N CA 1.524 54.499 53.050 -0.124 0.000 0.859 383 N CB -0.059 38.336 38.487 -0.153 0.000 1.060 383 N HN -0.012 nan 8.380 nan 0.000 0.424 384 R N 0.233 120.565 120.500 -0.281 0.000 2.190 384 R HA -0.225 4.116 4.340 0.001 0.000 0.255 384 R C 2.210 178.393 176.300 -0.196 0.000 1.143 384 R CA 1.466 57.389 56.100 -0.294 0.000 0.965 384 R CB -1.657 28.335 30.300 -0.514 0.000 0.889 384 R HN 0.458 nan 8.270 nan 0.000 0.448 385 L N 1.034 122.146 121.223 -0.184 0.000 1.951 385 L HA -0.229 4.111 4.340 0.001 0.000 0.222 385 L C 2.414 179.260 176.870 -0.040 0.000 1.078 385 L CA 1.894 56.674 54.840 -0.101 0.000 0.778 385 L CB -0.640 41.373 42.059 -0.076 0.000 0.893 385 L HN 0.143 nan 8.230 nan 0.000 0.436 386 L N -1.371 119.822 121.223 -0.051 0.000 2.042 386 L HA -0.245 4.095 4.340 0.001 0.000 0.210 386 L C 2.551 179.395 176.870 -0.044 0.000 1.076 386 L CA 0.794 55.608 54.840 -0.044 0.000 0.749 386 L CB -0.812 41.214 42.059 -0.056 0.000 0.893 386 L HN 0.310 nan 8.230 nan 0.000 0.432 387 L N -0.418 120.767 121.223 -0.063 0.000 2.151 387 L HA -0.321 4.020 4.340 0.001 0.000 0.215 387 L C 2.675 179.527 176.870 -0.030 0.000 1.084 387 L CA 1.688 56.494 54.840 -0.057 0.000 0.764 387 L CB -1.006 41.011 42.059 -0.070 0.000 0.891 387 L HN 0.458 nan 8.230 nan 0.000 0.435 388 C N -1.315 117.981 119.300 -0.006 0.000 2.576 388 C HA 0.100 4.560 4.460 0.001 0.000 0.281 388 C C 2.937 178.005 174.990 0.129 0.000 1.292 388 C CA 0.405 59.447 59.018 0.040 0.000 1.697 388 C CB -0.991 26.763 27.740 0.022 0.000 2.109 388 C HN 0.565 nan 8.230 nan 0.000 0.497 389 A N 0.176 123.103 122.820 0.179 0.000 2.245 389 A HA 0.011 4.331 4.320 0.001 0.000 0.217 389 A C 1.570 179.142 177.584 -0.021 0.000 1.171 389 A CA 1.350 53.408 52.037 0.035 0.000 0.688 389 A CB -0.608 18.275 19.000 -0.195 0.000 0.781 389 A HN 0.743 nan 8.150 nan 0.000 0.479 390 L N -1.166 120.047 121.223 -0.016 0.000 2.965 390 L HA 0.191 4.531 4.340 0.001 0.000 0.254 390 L C -0.775 176.078 176.870 -0.029 0.000 1.220 390 L CA -0.334 54.475 54.840 -0.051 0.000 1.023 390 L CB -0.457 41.549 42.059 -0.089 0.000 1.355 390 L HN 0.226 nan 8.230 nan 0.000 0.545 391 D N 1.233 121.637 120.400 0.007 0.000 2.890 391 D HA -0.204 4.437 4.640 0.001 0.000 0.226 391 D C 1.004 177.300 176.300 -0.007 0.000 1.207 391 D CA 0.563 54.568 54.000 0.008 0.000 0.764 391 D CB -0.316 40.489 40.800 0.007 0.000 0.948 391 D HN 0.400 nan 8.370 nan 0.000 0.404 392 R N -0.203 120.291 120.500 -0.010 0.000 2.444 392 R HA 0.169 4.509 4.340 0.001 0.000 0.201 392 R C 0.282 176.576 176.300 -0.010 0.000 0.861 392 R CA -0.028 56.064 56.100 -0.013 0.000 1.034 392 R CB 0.681 30.967 30.300 -0.023 0.000 1.347 392 R HN -0.074 nan 8.270 nan 0.000 0.659 393 K N 1.685 122.076 120.400 -0.015 0.000 2.397 393 K HA 0.239 4.560 4.320 0.001 0.000 0.253 393 K C -1.095 175.493 176.600 -0.020 0.000 0.932 393 K CA -0.498 55.778 56.287 -0.018 0.000 0.795 393 K CB 2.077 34.556 32.500 -0.034 0.000 1.159 393 K HN 0.000 nan 8.250 nan 0.000 0.424 394 D N 1.594 121.987 120.400 -0.011 0.000 2.335 394 D HA -0.094 4.547 4.640 0.001 0.000 0.236 394 D C 0.702 176.990 176.300 -0.021 0.000 1.297 394 D CA 0.405 54.400 54.000 -0.009 0.000 0.906 394 D CB 0.803 41.609 40.800 0.009 0.000 1.164 394 D HN 0.379 nan 8.370 nan 0.000 0.469 395 Q N -0.199 119.593 119.800 -0.013 0.000 2.526 395 Q HA 0.026 4.366 4.340 0.001 0.000 0.207 395 Q C -0.679 175.354 176.000 0.054 0.000 1.078 395 Q CA -0.283 55.521 55.803 0.001 0.000 1.041 395 Q CB 0.697 29.450 28.738 0.026 0.000 1.228 395 Q HN 0.280 nan 8.270 nan 0.000 0.603 396 D N 1.318 121.802 120.400 0.140 0.000 2.232 396 D HA 0.057 4.698 4.640 0.001 0.000 0.242 396 D C -1.109 175.352 176.300 0.268 0.000 1.093 396 D CA -0.085 54.017 54.000 0.171 0.000 0.845 396 D CB 0.939 41.784 40.800 0.075 0.000 1.124 396 D HN 0.460 nan 8.370 nan 0.000 0.467 397 D N 2.939 123.445 120.400 0.177 0.000 2.344 397 D HA -0.004 4.636 4.640 0.001 0.000 0.253 397 D C 0.935 177.334 176.300 0.166 0.000 1.255 397 D CA -0.104 53.998 54.000 0.170 0.000 0.894 397 D CB 0.532 41.458 40.800 0.210 0.000 1.067 397 D HN 0.293 nan 8.370 nan 0.000 0.492 398 R N 2.295 122.864 120.500 0.114 0.000 2.328 398 R HA -0.052 4.289 4.340 0.001 0.000 0.207 398 R C 0.025 176.372 176.300 0.078 0.000 1.056 398 R CA 0.651 56.801 56.100 0.083 0.000 1.016 398 R CB 0.365 30.646 30.300 -0.032 0.000 0.872 398 R HN 0.422 nan 8.270 nan 0.000 0.471 399 D N -0.477 119.978 120.400 0.093 0.000 2.559 399 D HA -0.014 4.627 4.640 0.001 0.000 0.234 399 D C -0.287 175.862 176.300 -0.251 0.000 1.226 399 D CA 0.023 54.054 54.000 0.052 0.000 0.830 399 D CB 0.147 41.062 40.800 0.192 0.000 1.028 399 D HN 0.119 nan 8.370 nan 0.000 0.492 400 H N 1.306 120.222 119.070 -0.257 0.000 3.008 400 H HA 0.010 4.566 4.556 0.001 0.000 0.268 400 H C 1.017 176.246 175.328 -0.165 0.000 1.323 400 H CA -0.651 55.172 56.048 -0.375 0.000 1.401 400 H CB -0.336 29.345 29.762 -0.135 0.000 1.556 400 H HN -0.084 nan 8.280 nan 0.000 0.502 401 F N 3.889 123.658 119.950 -0.301 0.000 2.094 401 F HA -0.301 4.226 4.527 0.001 0.000 0.296 401 F C 2.375 178.210 175.800 0.058 0.000 1.070 401 F CA 2.314 60.243 58.000 -0.117 0.000 1.255 401 F CB -0.832 38.060 39.000 -0.180 0.000 1.000 401 F HN 0.677 nan 8.300 nan 0.000 0.490 402 G N -0.964 108.033 108.800 0.327 0.000 2.501 402 G HA2 -0.261 3.700 3.960 0.001 0.000 0.220 402 G HA3 -0.261 3.700 3.960 0.001 0.000 0.220 402 G C 1.450 176.316 174.900 -0.056 0.000 1.114 402 G CA 0.767 45.939 45.100 0.120 0.000 0.757 402 G HN 0.407 nan 8.290 nan 0.000 0.559 403 K N 0.021 120.384 120.400 -0.062 0.000 2.514 403 K HA 0.192 4.512 4.320 0.001 0.000 0.207 403 K C -0.069 176.465 176.600 -0.109 0.000 1.035 403 K CA -0.055 56.159 56.287 -0.122 0.000 1.113 403 K CB 0.604 33.037 32.500 -0.112 0.000 0.846 403 K HN 0.135 nan 8.250 nan 0.000 0.491 404 K N 1.264 121.582 120.400 -0.137 0.000 2.316 404 K HA 0.426 4.747 4.320 0.001 0.000 0.251 404 K C -0.351 176.117 176.600 -0.219 0.000 0.934 404 K CA -1.013 55.192 56.287 -0.136 0.000 0.802 404 K CB 2.061 34.517 32.500 -0.074 0.000 1.171 404 K HN -0.170 nan 8.250 nan 0.000 0.426 405 R N 1.842 122.248 120.500 -0.157 0.000 2.670 405 R HA 0.472 4.812 4.340 0.001 0.000 0.289 405 R C -0.442 175.790 176.300 -0.113 0.000 0.965 405 R CA -0.809 55.200 56.100 -0.152 0.000 0.899 405 R CB 1.117 31.347 30.300 -0.116 0.000 1.173 405 R HN 0.559 nan 8.270 nan 0.000 0.456 406 L N 3.424 124.580 121.223 -0.112 0.000 2.321 406 L HA 0.260 4.600 4.340 0.001 0.000 0.272 406 L C -0.351 176.490 176.870 -0.048 0.000 1.050 406 L CA -0.718 54.078 54.840 -0.072 0.000 0.893 406 L CB 0.963 42.977 42.059 -0.074 0.000 1.272 406 L HN 0.302 nan 8.230 nan 0.000 0.435 407 D N 2.975 123.355 120.400 -0.035 0.000 2.451 407 D HA 0.118 4.758 4.640 0.001 0.000 0.254 407 D C 0.184 176.471 176.300 -0.021 0.000 1.204 407 D CA 0.264 54.257 54.000 -0.013 0.000 0.896 407 D CB 1.905 42.702 40.800 -0.004 0.000 1.136 407 D HN 0.143 nan 8.370 nan 0.000 0.499 408 L N 1.839 123.063 121.223 0.002 0.000 2.687 408 L HA 0.405 4.746 4.340 0.001 0.000 0.252 408 L C 1.790 178.676 176.870 0.026 0.000 1.115 408 L CA -0.252 54.589 54.840 0.001 0.000 0.893 408 L CB 0.129 42.195 42.059 0.012 0.000 1.670 408 L HN 0.398 nan 8.230 nan 0.000 0.531 409 A N -0.086 122.762 122.820 0.046 0.000 1.917 409 A HA -0.128 4.193 4.320 0.001 0.000 0.219 409 A C 1.885 179.536 177.584 0.111 0.000 1.182 409 A CA 2.159 54.251 52.037 0.093 0.000 0.633 409 A CB -1.592 17.502 19.000 0.156 0.000 0.819 409 A HN 0.862 nan 8.150 nan 0.000 0.448 410 G N -0.200 108.683 108.800 0.139 0.000 2.575 410 G HA2 -0.119 3.842 3.960 0.001 0.000 0.215 410 G HA3 -0.119 3.842 3.960 0.001 0.000 0.215 410 G C -0.241 174.661 174.900 0.005 0.000 1.262 410 G CA 1.192 46.353 45.100 0.103 0.000 0.807 410 G HN 0.447 nan 8.290 nan 0.000 0.567 411 P HA -0.150 nan 4.420 nan 0.000 0.219 411 P C 1.916 179.290 177.300 0.123 0.000 1.151 411 P CA 0.992 64.165 63.100 0.122 0.000 0.850 411 P CB -0.105 31.653 31.700 0.098 0.000 0.784 412 L N -1.917 119.388 121.223 0.137 0.000 2.007 412 L HA -0.134 4.207 4.340 0.001 0.000 0.205 412 L C 2.432 179.426 176.870 0.207 0.000 1.073 412 L CA 1.279 56.326 54.840 0.344 0.000 0.744 412 L CB -1.094 41.229 42.059 0.440 0.000 0.898 412 L HN -0.077 nan 8.230 nan 0.000 0.435 413 L N -0.237 120.958 121.223 -0.046 0.000 2.189 413 L HA -0.235 4.106 4.340 0.001 0.000 0.214 413 L C 2.803 179.520 176.870 -0.255 0.000 1.097 413 L CA 0.959 55.586 54.840 -0.356 0.000 0.764 413 L CB -0.934 40.646 42.059 -0.798 0.000 0.900 413 L HN 0.279 nan 8.230 nan 0.000 0.436 414 A N -0.107 122.648 122.820 -0.108 0.000 1.828 414 A HA -0.295 4.025 4.320 0.001 0.000 0.215 414 A C 2.300 180.008 177.584 0.207 0.000 1.203 414 A CA 1.877 54.087 52.037 0.289 0.000 0.614 414 A CB -0.779 18.401 19.000 0.300 0.000 0.844 414 A HN 0.455 nan 8.150 nan 0.000 0.445 415 Q N -0.645 119.236 119.800 0.135 0.000 2.197 415 Q HA -0.190 4.150 4.340 0.001 0.000 0.207 415 Q C 2.061 178.068 176.000 0.011 0.000 0.984 415 Q CA 1.580 57.439 55.803 0.093 0.000 0.869 415 Q CB -0.210 28.608 28.738 0.134 0.000 0.906 415 Q HN 0.698 nan 8.270 nan 0.000 0.426 416 L N -0.372 120.801 121.223 -0.084 0.000 1.973 416 L HA -0.176 4.164 4.340 0.001 0.000 0.208 416 L C 2.378 179.252 176.870 0.007 0.000 1.073 416 L CA 1.230 55.939 54.840 -0.219 0.000 0.746 416 L CB -0.524 41.244 42.059 -0.485 0.000 0.891 416 L HN 0.293 nan 8.230 nan 0.000 0.433 417 F N 1.089 121.001 119.950 -0.062 0.000 2.065 417 F HA -0.324 4.203 4.527 0.000 0.000 0.298 417 F C 2.616 178.460 175.800 0.073 0.000 1.112 417 F CA 2.009 60.032 58.000 0.037 0.000 1.212 417 F CB -0.506 38.604 39.000 0.184 0.000 0.975 417 F HN -0.016 nan 8.300 nan 0.000 0.476 418 K N -0.660 119.784 120.400 0.073 0.000 2.001 418 K HA -0.194 4.126 4.320 0.001 0.000 0.214 418 K C 1.890 178.456 176.600 -0.057 0.000 1.050 418 K CA 2.347 58.614 56.287 -0.033 0.000 0.934 418 K CB -0.528 31.992 32.500 0.032 0.000 0.718 418 K HN 0.279 nan 8.250 nan 0.000 0.443 419 T N 1.537 116.071 114.554 -0.033 0.000 2.929 419 T HA -0.086 4.264 4.350 0.001 0.000 0.271 419 T C 1.683 176.345 174.700 -0.064 0.000 1.085 419 T CA 0.940 63.008 62.100 -0.054 0.000 1.125 419 T CB 0.007 68.847 68.868 -0.046 0.000 0.874 419 T HN 0.171 nan 8.240 nan 0.000 0.494 420 L N -0.669 120.529 121.223 -0.041 0.000 2.168 420 L HA 0.194 4.534 4.340 0.001 0.000 0.203 420 L C 2.179 179.043 176.870 -0.011 0.000 1.078 420 L CA 0.575 55.404 54.840 -0.018 0.000 0.780 420 L CB -0.376 41.708 42.059 0.041 0.000 0.939 420 L HN 0.167 nan 8.230 nan 0.000 0.451 421 F N 1.539 121.312 119.950 -0.296 0.000 2.269 421 F HA -0.151 4.377 4.527 0.001 0.000 0.301 421 F C 2.205 177.829 175.800 -0.292 0.000 1.082 421 F CA 1.317 59.080 58.000 -0.395 0.000 1.360 421 F CB -0.259 38.298 39.000 -0.738 0.000 1.041 421 F HN -0.094 nan 8.300 nan 0.000 0.512 422 K N 0.073 120.277 120.400 -0.326 0.000 2.103 422 K HA -0.151 4.170 4.320 0.001 0.000 0.204 422 K C 2.112 178.551 176.600 -0.267 0.000 1.052 422 K CA 1.128 57.187 56.287 -0.380 0.000 0.945 422 K CB -0.207 32.142 32.500 -0.252 0.000 0.722 422 K HN 0.164 nan 8.250 nan 0.000 0.443 423 K N 0.897 121.197 120.400 -0.166 0.000 2.365 423 K HA -0.085 4.236 4.320 0.001 0.000 0.199 423 K C 1.852 178.396 176.600 -0.093 0.000 1.045 423 K CA 0.470 56.691 56.287 -0.110 0.000 0.962 423 K CB 0.159 32.616 32.500 -0.072 0.000 0.759 423 K HN 0.009 nan 8.250 nan 0.000 0.469 424 L N 0.141 121.296 121.223 -0.113 0.000 2.202 424 L HA 0.010 4.350 4.340 0.001 0.000 0.205 424 L C 1.873 178.671 176.870 -0.120 0.000 1.083 424 L CA 1.539 56.341 54.840 -0.064 0.000 0.790 424 L CB -0.379 41.694 42.059 0.023 0.000 0.942 424 L HN -0.023 nan 8.230 nan 0.000 0.452 425 T N 0.693 115.059 114.554 -0.314 0.000 2.684 425 T HA -0.218 4.133 4.350 0.001 0.000 0.267 425 T C 1.329 175.927 174.700 -0.169 0.000 1.036 425 T CA 1.950 63.837 62.100 -0.355 0.000 1.148 425 T CB -0.270 68.223 68.868 -0.625 0.000 0.863 425 T HN 0.483 nan 8.240 nan 0.000 0.436 426 K N 0.656 120.947 120.400 -0.182 0.000 2.627 426 K HA 0.164 4.484 4.320 0.001 0.000 0.212 426 K C 0.710 177.316 176.600 0.009 0.000 1.041 426 K CA 0.273 56.487 56.287 -0.122 0.000 1.205 426 K CB 0.345 32.736 32.500 -0.182 0.000 0.936 426 K HN 0.102 nan 8.250 nan 0.000 0.489 427 D N 0.539 120.961 120.400 0.036 0.000 2.482 427 D HA 0.165 4.805 4.640 0.001 0.000 0.251 427 D C 1.623 178.003 176.300 0.134 0.000 1.073 427 D CA 0.212 54.255 54.000 0.071 0.000 0.892 427 D CB 0.378 41.195 40.800 0.029 0.000 1.202 427 D HN 0.252 nan 8.370 nan 0.000 0.496 428 I N 0.571 121.226 120.570 0.142 0.000 2.361 428 I HA -0.223 3.948 4.170 0.001 0.000 0.251 428 I C 2.149 178.443 176.117 0.295 0.000 1.133 428 I CA 0.687 62.105 61.300 0.196 0.000 1.413 428 I CB -0.164 37.961 38.000 0.208 0.000 1.073 428 I HN -0.074 nan 8.210 nan 0.000 0.424 429 F N 1.654 121.648 119.950 0.074 0.000 2.113 429 F HA -0.119 4.409 4.527 0.001 0.000 0.297 429 F C 2.590 178.434 175.800 0.072 0.000 1.103 429 F CA 1.497 59.533 58.000 0.061 0.000 1.248 429 F CB -0.361 38.653 39.000 0.024 0.000 0.999 429 F HN -0.121 nan 8.300 nan 0.000 0.475 430 R N -1.704 118.948 120.500 0.254 0.000 2.293 430 R HA -0.209 4.132 4.340 0.001 0.000 0.219 430 R C 1.676 178.064 176.300 0.148 0.000 1.091 430 R CA 1.071 57.265 56.100 0.156 0.000 1.004 430 R CB -0.482 29.901 30.300 0.138 0.000 0.865 430 R HN 0.385 nan 8.270 nan 0.000 0.469 431 Y N 0.397 120.718 120.300 0.035 0.000 2.266 431 Y HA 0.020 4.570 4.550 0.000 0.000 0.294 431 Y C 2.147 178.035 175.900 -0.020 0.000 1.127 431 Y CA 0.959 59.069 58.100 0.016 0.000 1.140 431 Y CB -0.034 38.448 38.460 0.036 0.000 1.071 431 Y HN -0.182 nan 8.280 nan 0.000 0.525 432 M N 0.027 119.658 119.600 0.051 0.000 2.108 432 M HA -0.295 4.185 4.480 0.001 0.000 0.261 432 M C 2.035 178.230 176.300 -0.174 0.000 1.066 432 M CA 1.910 57.158 55.300 -0.086 0.000 1.107 432 M CB -0.504 32.049 32.600 -0.077 0.000 1.356 432 M HN 0.312 nan 8.290 nan 0.000 0.406 433 Q N -0.150 119.542 119.800 -0.181 0.000 2.226 433 Q HA -0.111 4.229 4.340 0.001 0.000 0.204 433 Q C 2.019 177.938 176.000 -0.135 0.000 0.975 433 Q CA 1.105 56.807 55.803 -0.169 0.000 0.866 433 Q CB 0.052 28.701 28.738 -0.147 0.000 0.915 433 Q HN 0.532 nan 8.270 nan 0.000 0.440 434 R N -1.268 119.139 120.500 -0.155 0.000 2.175 434 R HA 0.076 4.416 4.340 0.001 0.000 0.202 434 R C 2.079 178.252 176.300 -0.212 0.000 1.018 434 R CA 0.944 56.950 56.100 -0.157 0.000 1.029 434 R CB 0.188 30.409 30.300 -0.132 0.000 0.959 434 R HN 0.090 nan 8.270 nan 0.000 0.480 435 T N 1.000 115.358 114.554 -0.326 0.000 2.770 435 T HA -0.054 4.296 4.350 0.001 0.000 0.263 435 T C 1.856 176.448 174.700 -0.180 0.000 1.039 435 T CA 1.088 62.997 62.100 -0.318 0.000 1.142 435 T CB -0.019 68.569 68.868 -0.467 0.000 0.868 435 T HN -0.048 nan 8.240 nan 0.000 0.435 436 V N 1.444 121.265 119.914 -0.155 0.000 3.026 436 V HA -0.038 4.083 4.120 0.001 0.000 0.265 436 V C 1.373 177.414 176.094 -0.089 0.000 1.121 436 V CA 0.930 63.167 62.300 -0.104 0.000 1.142 436 V CB -0.780 30.986 31.823 -0.096 0.000 0.730 436 V HN 0.500 nan 8.190 nan 0.000 0.503 447 A N 0.108 122.677 122.820 -0.419 0.000 3.553 447 A HA -0.209 4.111 4.320 0.001 0.000 0.261 447 A C 0.306 177.691 177.584 -0.332 0.000 1.096 447 A CA 1.528 53.103 52.037 -0.770 0.000 1.308 447 A CB -2.260 15.704 19.000 -1.728 0.000 1.084 447 A HN 0.580 nan 8.150 nan 0.000 0.914 448 I N 1.401 121.878 120.570 -0.155 0.000 2.317 448 I HA 0.176 4.346 4.170 0.001 0.000 0.286 448 I C 0.448 176.561 176.117 -0.006 0.000 1.119 448 I CA -0.324 60.950 61.300 -0.043 0.000 1.228 448 I CB 0.462 38.472 38.000 0.016 0.000 1.476 448 I HN 0.374 nan 8.210 nan 0.000 0.514 449 N N 4.447 123.142 118.700 -0.009 0.000 2.814 449 N HA 0.084 4.825 4.740 0.001 0.000 0.304 449 N C 1.441 176.963 175.510 0.020 0.000 1.211 449 N CA 0.116 53.177 53.050 0.018 0.000 1.158 449 N CB 0.596 39.092 38.487 0.016 0.000 1.458 449 N HN 0.654 nan 8.380 nan 0.000 0.519 450 A N 2.449 125.281 122.820 0.021 0.000 2.245 450 A HA -0.208 4.112 4.320 0.001 0.000 0.217 450 A C 2.103 179.677 177.584 -0.016 0.000 1.171 450 A CA 1.108 53.102 52.037 -0.072 0.000 0.688 450 A CB -0.470 18.398 19.000 -0.220 0.000 0.781 450 A HN 0.701 nan 8.150 nan 0.000 0.479 451 K N -0.564 119.866 120.400 0.051 0.000 2.211 451 K HA -0.104 4.216 4.320 0.001 0.000 0.203 451 K C 1.711 178.332 176.600 0.034 0.000 1.050 451 K CA 1.540 57.864 56.287 0.062 0.000 0.945 451 K CB -0.253 32.286 32.500 0.065 0.000 0.732 451 K HN 0.455 nan 8.250 nan 0.000 0.451 452 T N 1.649 116.215 114.554 0.019 0.000 2.652 452 T HA -0.141 4.209 4.350 0.001 0.000 0.267 452 T C 1.814 176.525 174.700 0.018 0.000 1.039 452 T CA 1.661 63.769 62.100 0.014 0.000 1.153 452 T CB -0.122 68.752 68.868 0.010 0.000 0.863 452 T HN 0.207 nan 8.240 nan 0.000 0.428 453 I N 0.967 121.551 120.570 0.023 0.000 2.286 453 I HA -0.121 4.049 4.170 0.001 0.000 0.245 453 I C 2.727 178.860 176.117 0.027 0.000 1.104 453 I CA 1.000 62.329 61.300 0.048 0.000 1.397 453 I CB -0.790 37.259 38.000 0.081 0.000 1.072 453 I HN 0.243 nan 8.210 nan 0.000 0.417 454 T N 0.680 115.244 114.554 0.015 0.000 2.652 454 T HA -0.189 4.161 4.350 0.001 0.000 0.267 454 T C 2.123 176.848 174.700 0.043 0.000 1.039 454 T CA 2.103 64.226 62.100 0.038 0.000 1.153 454 T CB -0.364 68.553 68.868 0.083 0.000 0.863 454 T HN 0.531 nan 8.240 nan 0.000 0.428 455 S N 1.329 117.057 115.700 0.046 0.000 2.357 455 S HA 0.054 4.524 4.470 0.001 0.000 0.221 455 S C 2.428 177.062 174.600 0.057 0.000 1.031 455 S CA 1.077 59.310 58.200 0.054 0.000 0.982 455 S CB -1.327 61.905 63.200 0.054 0.000 0.853 455 S HN 0.510 nan 8.310 nan 0.000 0.458 456 G N 2.942 111.760 108.800 0.030 0.000 2.631 456 G HA2 -0.245 3.715 3.960 0.001 0.000 0.219 456 G HA3 -0.245 3.715 3.960 0.001 0.000 0.219 456 G C 1.447 176.350 174.900 0.005 0.000 1.214 456 G CA 1.420 46.525 45.100 0.009 0.000 0.785 456 G HN 0.497 nan 8.290 nan 0.000 0.596 457 L N 0.054 121.259 121.223 -0.031 0.000 2.021 457 L HA -0.210 4.131 4.340 0.001 0.000 0.215 457 L C 3.046 179.884 176.870 -0.055 0.000 1.074 457 L CA 1.968 56.754 54.840 -0.091 0.000 0.760 457 L CB -0.464 41.553 42.059 -0.071 0.000 0.889 457 L HN 0.256 nan 8.230 nan 0.000 0.433 458 K N -0.825 119.578 120.400 0.006 0.000 1.987 458 K HA -0.279 4.041 4.320 0.001 0.000 0.216 458 K C 2.124 178.741 176.600 0.028 0.000 1.051 458 K CA 2.178 58.476 56.287 0.018 0.000 0.942 458 K CB -0.598 31.927 32.500 0.042 0.000 0.722 458 K HN 0.143 nan 8.250 nan 0.000 0.444 459 Y N 1.331 121.616 120.300 -0.024 0.000 2.096 459 Y HA -0.407 4.143 4.550 0.001 0.000 0.276 459 Y C 2.099 178.004 175.900 0.008 0.000 1.209 459 Y CA 1.921 60.016 58.100 -0.008 0.000 1.137 459 Y CB -0.439 38.012 38.460 -0.016 0.000 0.956 459 Y HN 0.179 nan 8.280 nan 0.000 0.506 460 A N -0.049 122.867 122.820 0.160 0.000 1.824 460 A HA -0.197 4.123 4.320 0.001 0.000 0.215 460 A C 2.006 179.709 177.584 0.197 0.000 1.209 460 A CA 1.957 54.085 52.037 0.152 0.000 0.614 460 A CB -1.341 17.497 19.000 -0.271 0.000 0.852 460 A HN 0.426 nan 8.150 nan 0.000 0.447 461 L N -0.321 120.969 121.223 0.112 0.000 2.263 461 L HA -0.162 4.179 4.340 0.001 0.000 0.216 461 L C 2.692 179.552 176.870 -0.017 0.000 1.111 461 L CA 1.706 56.576 54.840 0.050 0.000 0.773 461 L CB -0.608 41.365 42.059 -0.144 0.000 0.906 461 L HN 0.463 nan 8.230 nan 0.000 0.439 462 A N -2.463 120.327 122.820 -0.050 0.000 2.132 462 A HA 0.055 4.375 4.320 0.001 0.000 0.213 462 A C 1.997 179.504 177.584 -0.128 0.000 1.154 462 A CA 1.382 53.369 52.037 -0.083 0.000 0.753 462 A CB -0.281 18.663 19.000 -0.094 0.000 0.826 462 A HN 0.408 nan 8.150 nan 0.000 0.469 463 T N -2.434 112.023 114.554 -0.162 0.000 3.499 463 T HA 0.478 4.829 4.350 0.001 0.000 0.227 463 T C 1.419 176.079 174.700 -0.067 0.000 0.946 463 T CA 0.859 62.855 62.100 -0.173 0.000 1.368 463 T CB 0.150 68.814 68.868 -0.341 0.000 1.227 463 T HN 1.087 nan 8.240 nan 0.000 0.398 464 G N 1.282 110.086 108.800 0.008 0.000 2.870 464 G HA2 -0.092 3.868 3.960 0.001 0.000 0.216 464 G HA3 -0.092 3.868 3.960 0.001 0.000 0.216 464 G C -0.294 174.666 174.900 0.099 0.000 0.973 464 G CA -0.673 44.433 45.100 0.010 0.000 0.807 464 G HN 0.464 nan 8.290 nan 0.000 0.573 465 N N 1.151 119.960 118.700 0.182 0.000 2.663 465 N HA 0.202 4.942 4.740 0.001 0.000 0.250 465 N C 0.987 176.758 175.510 0.435 0.000 1.129 465 N CA -0.716 52.495 53.050 0.269 0.000 0.995 465 N CB 0.606 39.284 38.487 0.319 0.000 1.324 465 N HN 0.456 nan 8.380 nan 0.000 0.512 466 W N 2.225 123.556 121.300 0.052 0.000 2.304 466 W HA -0.140 4.520 4.660 0.001 0.000 0.328 466 W C 1.700 178.253 176.519 0.055 0.000 1.242 466 W CA 0.381 57.750 57.345 0.041 0.000 1.243 466 W CB -0.053 29.413 29.460 0.009 0.000 1.170 466 W HN 0.473 nan 8.180 nan 0.000 0.460 467 G N 1.862 110.815 108.800 0.256 0.000 2.707 467 G HA2 0.007 3.967 3.960 0.001 0.000 0.271 467 G HA3 0.007 3.967 3.960 0.001 0.000 0.271 467 G C -0.067 174.852 174.900 0.031 0.000 0.681 467 G CA 0.797 45.956 45.100 0.098 0.000 2.072 467 G HN 0.506 nan 8.290 nan 0.000 0.569 468 E N -0.751 119.436 120.200 -0.022 0.000 3.401 468 E HA -0.344 4.006 4.350 0.001 0.000 0.352 468 E C 1.248 177.689 176.600 -0.264 0.000 1.523 468 E CA 2.054 58.368 56.400 -0.144 0.000 1.794 468 E CB -0.544 29.064 29.700 -0.152 0.000 1.792 468 E HN 0.600 nan 8.360 nan 0.000 0.471 469 Q N 0.219 119.805 119.800 -0.357 0.000 1.981 469 Q HA 0.355 4.696 4.340 0.001 0.000 0.157 469 Q C -0.187 175.728 176.000 -0.143 0.000 0.503 469 Q CA -0.409 55.183 55.803 -0.353 0.000 0.695 469 Q CB 0.374 28.779 28.738 -0.555 0.000 1.038 469 Q HN 0.330 nan 8.270 nan 0.000 0.388 470 K N 0.662 120.980 120.400 -0.137 0.000 2.104 470 K HA -0.232 4.088 4.320 0.001 0.000 0.393 470 K C -0.552 176.027 176.600 -0.035 0.000 1.666 470 K CA 1.371 57.615 56.287 -0.072 0.000 0.850 470 K CB -0.404 32.061 32.500 -0.059 0.000 1.151 470 K HN 0.202 nan 8.250 nan 0.000 0.823 471 K N 1.383 121.771 120.400 -0.020 0.000 3.233 471 K HA 0.333 4.653 4.320 0.001 0.000 0.283 471 K C -0.218 176.384 176.600 0.003 0.000 1.209 471 K CA 0.278 56.562 56.287 -0.005 0.000 1.197 471 K CB 0.127 32.625 32.500 -0.003 0.000 1.431 471 K HN 0.483 nan 8.250 nan 0.000 0.326 472 A N 0.378 123.203 122.820 0.007 0.000 2.489 472 A HA 0.324 4.645 4.320 0.001 0.000 0.293 472 A C -0.627 176.975 177.584 0.031 0.000 1.004 472 A CA -0.862 51.186 52.037 0.017 0.000 0.626 472 A CB 0.494 19.503 19.000 0.014 0.000 1.345 472 A HN 0.326 nan 8.150 nan 0.000 0.447 473 M N 1.834 121.455 119.600 0.035 0.000 2.637 473 M HA 0.114 4.594 4.480 0.001 0.000 0.286 473 M C 1.567 177.896 176.300 0.048 0.000 1.246 473 M CA 0.558 55.886 55.300 0.047 0.000 0.978 473 M CB -0.103 32.520 32.600 0.038 0.000 1.417 473 M HN 0.903 nan 8.290 nan 0.000 0.487 474 S N -0.060 115.666 115.700 0.043 0.000 2.434 474 S HA -0.169 4.302 4.470 0.001 0.000 0.243 474 S C 1.175 175.813 174.600 0.063 0.000 1.045 474 S CA 1.476 59.703 58.200 0.044 0.000 1.019 474 S CB -0.837 62.384 63.200 0.035 0.000 0.811 474 S HN 0.648 nan 8.310 nan 0.000 0.485 475 S N 1.657 117.409 115.700 0.086 0.000 2.719 475 S HA 0.579 5.049 4.470 0.001 0.000 0.285 475 S C -0.107 174.543 174.600 0.082 0.000 1.137 475 S CA -1.285 56.985 58.200 0.116 0.000 1.012 475 S CB 0.617 63.932 63.200 0.191 0.000 1.134 475 S HN 0.641 nan 8.310 nan 0.000 0.544 476 R N 0.223 120.766 120.500 0.071 0.000 2.332 476 R HA 0.671 5.011 4.340 0.001 0.000 0.306 476 R C -0.294 176.002 176.300 -0.006 0.000 1.117 476 R CA -0.582 55.528 56.100 0.016 0.000 1.108 476 R CB 0.322 30.611 30.300 -0.017 0.000 1.126 476 R HN 0.659 nan 8.270 nan 0.000 0.548 477 A N 1.837 124.663 122.820 0.011 0.000 2.520 477 A HA 0.469 4.789 4.320 0.001 0.000 0.245 477 A C 1.294 178.850 177.584 -0.047 0.000 1.072 477 A CA 0.738 52.773 52.037 -0.004 0.000 0.761 477 A CB 0.061 19.067 19.000 0.010 0.000 1.004 477 A HN 1.052 nan 8.150 nan 0.000 0.499 478 G N 1.105 109.858 108.800 -0.080 0.000 3.302 478 G HA2 0.010 3.970 3.960 0.001 0.000 0.216 478 G HA3 0.010 3.970 3.960 0.001 0.000 0.216 478 G C 0.029 174.839 174.900 -0.150 0.000 1.008 478 G CA 0.050 45.093 45.100 -0.095 0.000 0.852 478 G HN 1.165 nan 8.290 nan 0.000 0.485 479 V N 1.819 121.585 119.914 -0.247 0.000 2.649 479 V HA 0.600 4.720 4.120 0.001 0.000 0.292 479 V C 1.090 176.984 176.094 -0.332 0.000 1.055 479 V CA 0.662 62.726 62.300 -0.393 0.000 1.023 479 V CB 1.065 32.419 31.823 -0.782 0.000 0.992 479 V HN 1.798 nan 8.190 nan 0.000 0.480 480 S N 2.946 118.477 115.700 -0.282 0.000 3.644 480 S HA -0.137 4.333 4.470 0.001 0.000 0.584 480 S C -0.377 174.160 174.600 -0.105 0.000 0.658 480 S CA 0.672 58.762 58.200 -0.184 0.000 1.414 480 S CB -0.707 62.400 63.200 -0.155 0.000 0.901 480 S HN 0.889 nan 8.310 nan 0.000 0.867 481 Q N 1.780 121.537 119.800 -0.073 0.000 2.633 481 Q HA 0.754 5.094 4.340 0.001 0.000 0.208 481 Q C -0.220 175.779 176.000 -0.002 0.000 1.010 481 Q CA -0.887 54.908 55.803 -0.013 0.000 0.982 481 Q CB 0.942 29.722 28.738 0.070 0.000 1.334 481 Q HN 0.537 nan 8.270 nan 0.000 0.508 482 V N 2.049 121.972 119.914 0.015 0.000 2.304 482 V HA 0.161 4.281 4.120 0.001 0.000 0.269 482 V C -0.290 175.792 176.094 -0.019 0.000 1.036 482 V CA -0.712 61.574 62.300 -0.023 0.000 0.840 482 V CB 0.291 32.085 31.823 -0.049 0.000 1.036 482 V HN 0.534 nan 8.190 nan 0.000 0.466 483 L N 4.746 125.939 121.223 -0.050 0.000 2.811 483 L HA -0.104 4.236 4.340 0.001 0.000 0.304 483 L C 0.380 177.132 176.870 -0.197 0.000 1.227 483 L CA 1.007 55.806 54.840 -0.069 0.000 0.880 483 L CB -0.216 41.630 42.059 -0.355 0.000 1.169 483 L HN 0.711 nan 8.230 nan 0.000 0.498 484 N N 3.941 122.512 118.700 -0.216 0.000 2.405 484 N HA 0.228 4.969 4.740 0.001 0.000 0.260 484 N C -0.035 175.113 175.510 -0.604 0.000 1.152 484 N CA 0.011 52.638 53.050 -0.705 0.000 0.948 484 N CB 0.478 38.493 38.487 -0.787 0.000 1.111 484 N HN 0.389 nan 8.380 nan 0.000 0.485 485 R N 1.947 122.043 120.500 -0.674 0.000 2.791 485 R HA 0.263 4.604 4.340 0.001 0.000 0.357 485 R C 0.238 176.279 176.300 -0.432 0.000 1.173 485 R CA -0.180 55.614 56.100 -0.510 0.000 1.060 485 R CB -0.406 29.508 30.300 -0.643 0.000 1.406 485 R HN 0.698 nan 8.270 nan 0.000 0.580 486 Y N -1.918 118.258 120.300 -0.205 0.000 2.114 486 Y HA 0.056 4.607 4.550 0.001 0.000 0.284 486 Y C 0.907 176.798 175.900 -0.013 0.000 1.119 486 Y CA 0.361 58.373 58.100 -0.147 0.000 1.108 486 Y CB 0.413 38.790 38.460 -0.138 0.000 0.995 486 Y HN -0.102 nan 8.280 nan 0.000 0.491 487 T N -1.937 112.737 114.554 0.200 0.000 2.901 487 T HA 0.133 4.484 4.350 0.001 0.000 0.293 487 T C -0.205 174.624 174.700 0.215 0.000 1.084 487 T CA -0.688 61.546 62.100 0.224 0.000 1.008 487 T CB 1.631 70.616 68.868 0.195 0.000 1.170 487 T HN 0.060 nan 8.240 nan 0.000 0.509 488 Y N 2.351 122.731 120.300 0.133 0.000 2.070 488 Y HA -0.211 4.340 4.550 0.001 0.000 0.280 488 Y C 2.813 178.759 175.900 0.077 0.000 1.148 488 Y CA 2.720 60.875 58.100 0.092 0.000 1.125 488 Y CB -0.649 37.834 38.460 0.039 0.000 0.975 488 Y HN 0.718 nan 8.280 nan 0.000 0.492 489 S N -1.331 114.459 115.700 0.150 0.000 2.402 489 S HA -0.285 4.185 4.470 0.001 0.000 0.233 489 S C 2.295 176.857 174.600 -0.064 0.000 1.030 489 S CA 1.511 59.721 58.200 0.016 0.000 1.003 489 S CB -1.230 62.005 63.200 0.058 0.000 0.813 489 S HN 0.537 nan 8.310 nan 0.000 0.477 490 S N 1.839 117.527 115.700 -0.020 0.000 2.343 490 S HA -0.145 4.326 4.470 0.001 0.000 0.219 490 S C 2.001 176.528 174.600 -0.122 0.000 1.033 490 S CA 1.977 60.148 58.200 -0.048 0.000 1.014 490 S CB -1.410 61.795 63.200 0.008 0.000 0.915 490 S HN 0.708 nan 8.310 nan 0.000 0.435 491 T N 3.094 117.549 114.554 -0.166 0.000 2.759 491 T HA -0.043 4.307 4.350 0.001 0.000 0.269 491 T C 1.756 176.334 174.700 -0.203 0.000 1.042 491 T CA 1.520 63.502 62.100 -0.197 0.000 1.140 491 T CB -0.454 68.283 68.868 -0.218 0.000 0.864 491 T HN 0.307 nan 8.240 nan 0.000 0.455 492 L N 0.544 121.599 121.223 -0.280 0.000 1.973 492 L HA -0.086 4.254 4.340 0.001 0.000 0.208 492 L C 2.913 179.702 176.870 -0.135 0.000 1.073 492 L CA 1.243 55.937 54.840 -0.243 0.000 0.746 492 L CB -0.796 41.096 42.059 -0.279 0.000 0.891 492 L HN 0.235 nan 8.230 nan 0.000 0.433 493 S N -1.486 114.149 115.700 -0.108 0.000 2.420 493 S HA -0.289 4.181 4.470 0.001 0.000 0.237 493 S C 1.950 176.546 174.600 -0.008 0.000 1.023 493 S CA 1.384 59.544 58.200 -0.066 0.000 0.991 493 S CB -0.481 62.680 63.200 -0.064 0.000 0.792 493 S HN 0.472 nan 8.310 nan 0.000 0.488 494 H N -0.182 118.805 119.070 -0.139 0.000 2.363 494 H HA 0.079 4.636 4.556 0.001 0.000 0.301 494 H C 1.874 177.134 175.328 -0.113 0.000 1.074 494 H CA 1.249 57.216 56.048 -0.134 0.000 1.354 494 H CB -0.042 29.613 29.762 -0.178 0.000 1.397 494 H HN 0.347 nan 8.280 nan 0.000 0.516 495 L N 0.515 121.678 121.223 -0.099 0.000 2.456 495 L HA -0.060 4.280 4.340 0.001 0.000 0.224 495 L C 0.923 177.735 176.870 -0.098 0.000 1.148 495 L CA 0.813 55.570 54.840 -0.139 0.000 0.825 495 L CB 0.075 42.075 42.059 -0.097 0.000 0.937 495 L HN 0.192 nan 8.230 nan 0.000 0.450 496 R N 0.135 120.591 120.500 -0.074 0.000 3.135 496 R HA 0.280 4.620 4.340 0.001 0.000 0.343 496 R C -0.168 176.104 176.300 -0.046 0.000 1.227 496 R CA -0.213 55.850 56.100 -0.063 0.000 1.227 496 R CB 0.475 30.734 30.300 -0.068 0.000 1.436 496 R HN 0.092 nan 8.270 nan 0.000 0.595 497 R N 0.173 120.647 120.500 -0.043 0.000 2.711 497 R HA 0.376 4.717 4.340 0.001 0.000 0.284 497 R C -0.921 175.360 176.300 -0.032 0.000 0.968 497 R CA -0.266 55.820 56.100 -0.023 0.000 0.924 497 R CB 2.063 32.378 30.300 0.026 0.000 1.162 497 R HN -0.082 nan 8.270 nan 0.000 0.465 498 T N 2.020 116.560 114.554 -0.023 0.000 2.856 498 T HA 0.347 4.697 4.350 0.001 0.000 0.283 498 T C -1.154 173.531 174.700 -0.024 0.000 1.008 498 T CA -0.594 61.496 62.100 -0.017 0.000 0.997 498 T CB 1.134 70.011 68.868 0.015 0.000 0.992 498 T HN 0.635 nan 8.240 nan 0.000 0.454 499 N N 0.651 119.332 118.700 -0.032 0.000 2.319 499 N HA 0.626 5.366 4.740 0.001 0.000 0.305 499 N C -1.483 174.013 175.510 -0.023 0.000 1.103 499 N CA -0.469 52.558 53.050 -0.038 0.000 0.815 499 N CB 1.623 40.072 38.487 -0.065 0.000 1.288 499 N HN 0.422 nan 8.380 nan 0.000 0.493 500 T N 3.264 117.807 114.554 -0.019 0.000 3.089 500 T HA 0.331 4.681 4.350 0.001 0.000 0.340 500 T C -2.696 171.997 174.700 -0.010 0.000 1.008 500 T CA -0.766 61.331 62.100 -0.004 0.000 1.096 500 T CB 1.209 70.088 68.868 0.018 0.000 1.024 500 T HN 0.467 nan 8.240 nan 0.000 0.477 501 P HA 0.221 nan 4.420 nan 0.000 0.269 501 P C -0.698 176.597 177.300 -0.009 0.000 1.211 501 P CA -0.278 62.812 63.100 -0.016 0.000 0.781 501 P CB 0.601 32.290 31.700 -0.018 0.000 0.877 511 P HA 0.050 nan 4.420 nan 0.000 0.219 511 P C 0.979 178.310 177.300 0.052 0.000 1.150 511 P CA 1.023 64.161 63.100 0.062 0.000 0.814 511 P CB -0.018 31.706 31.700 0.040 0.000 0.787 512 R N -1.064 119.449 120.500 0.022 0.000 2.115 512 R HA -0.040 4.301 4.340 0.001 0.000 0.230 512 R C 1.147 177.449 176.300 0.004 0.000 1.111 512 R CA 0.551 56.653 56.100 0.003 0.000 0.976 512 R CB -0.587 29.710 30.300 -0.005 0.000 0.870 512 R HN 0.266 nan 8.270 nan 0.000 0.445 513 Q N 0.535 120.350 119.800 0.025 0.000 2.726 513 Q HA 0.003 4.343 4.340 0.001 0.000 0.242 513 Q C -0.669 175.364 176.000 0.055 0.000 1.130 513 Q CA 0.381 56.202 55.803 0.029 0.000 1.031 513 Q CB 0.293 29.048 28.738 0.028 0.000 1.326 513 Q HN 0.014 nan 8.270 nan 0.000 0.572 514 L N 1.511 122.767 121.223 0.055 0.000 2.283 514 L HA 0.307 4.648 4.340 0.001 0.000 0.281 514 L C -0.969 176.007 176.870 0.177 0.000 1.033 514 L CA -0.114 54.785 54.840 0.097 0.000 0.848 514 L CB 0.298 42.377 42.059 0.032 0.000 1.226 514 L HN 0.661 nan 8.230 nan 0.000 0.429 515 H N 2.668 121.923 119.070 0.309 0.000 2.597 515 H HA 0.261 4.818 4.556 0.001 0.000 0.370 515 H C 0.960 176.288 175.328 -0.000 0.000 1.281 515 H CA 0.824 56.890 56.048 0.030 0.000 1.422 515 H CB 1.007 30.587 29.762 -0.303 0.000 1.524 515 H HN 0.772 nan 8.280 nan 0.000 0.607 516 N N -0.383 118.412 118.700 0.158 0.000 2.135 516 N HA -0.160 4.581 4.740 0.001 0.000 0.186 516 N C 1.621 177.249 175.510 0.197 0.000 1.027 516 N CA 1.306 54.453 53.050 0.163 0.000 0.849 516 N CB -0.072 38.447 38.487 0.054 0.000 1.002 516 N HN 0.703 nan 8.380 nan 0.000 0.425 517 T N -0.629 114.016 114.554 0.152 0.000 2.918 517 T HA -0.181 4.169 4.350 0.001 0.000 0.271 517 T C 1.403 176.089 174.700 -0.023 0.000 1.104 517 T CA 1.130 63.168 62.100 -0.105 0.000 1.114 517 T CB -0.474 68.099 68.868 -0.492 0.000 0.855 517 T HN 0.276 nan 8.240 nan 0.000 0.518 518 H N -0.765 118.294 119.070 -0.019 0.000 2.546 518 H HA 0.106 4.662 4.556 0.001 0.000 0.277 518 H C 0.964 176.279 175.328 -0.021 0.000 1.004 518 H CA 0.083 56.000 56.048 -0.218 0.000 1.231 518 H CB -0.468 29.133 29.762 -0.268 0.000 1.382 518 H HN 0.584 nan 8.280 nan 0.000 0.580 519 W N 1.998 123.333 121.300 0.058 0.000 2.231 519 W HA 0.147 4.808 4.660 0.001 0.000 0.341 519 W C 1.129 177.688 176.519 0.065 0.000 1.298 519 W CA 1.493 58.869 57.345 0.051 0.000 1.266 519 W CB 0.210 29.691 29.460 0.036 0.000 1.172 519 W HN 0.488 nan 8.180 nan 0.000 0.568 520 G N 3.785 112.133 108.800 -0.754 0.000 2.382 520 G HA2 -0.387 3.573 3.960 0.001 0.000 0.259 520 G HA3 -0.387 3.573 3.960 0.001 0.000 0.259 520 G C 0.928 175.774 174.900 -0.090 0.000 1.009 520 G CA 0.972 45.812 45.100 -0.433 0.000 0.625 520 G HN 0.572 nan 8.290 nan 0.000 0.541 521 L N -0.536 120.704 121.223 0.029 0.000 2.189 521 L HA 0.322 4.663 4.340 0.001 0.000 0.199 521 L C 1.295 178.197 176.870 0.053 0.000 1.074 521 L CA 0.699 55.611 54.840 0.120 0.000 0.783 521 L CB -0.203 42.064 42.059 0.346 0.000 0.955 521 L HN 0.165 nan 8.230 nan 0.000 0.460 522 V N -0.841 119.057 119.914 -0.026 0.000 2.769 522 V HA 0.193 4.313 4.120 0.001 0.000 0.312 522 V C -0.193 175.817 176.094 -0.140 0.000 1.058 522 V CA -1.177 61.060 62.300 -0.106 0.000 0.952 522 V CB 2.510 34.178 31.823 -0.259 0.000 1.019 522 V HN 0.272 nan 8.190 nan 0.000 0.445 523 C N 5.940 125.163 119.300 -0.128 0.000 2.644 523 C HA 0.349 4.809 4.460 0.001 0.000 0.417 523 C C -0.344 174.571 174.990 -0.124 0.000 1.304 523 C CA -0.728 58.218 59.018 -0.120 0.000 2.035 523 C CB 0.613 28.296 27.740 -0.095 0.000 2.673 523 C HN 0.867 nan 8.230 nan 0.000 0.602 524 P HA 0.094 nan 4.420 nan 0.000 0.220 524 P C 0.754 178.023 177.300 -0.051 0.000 1.154 524 P CA 1.502 64.561 63.100 -0.069 0.000 0.837 524 P CB 0.166 31.844 31.700 -0.038 0.000 0.815 525 A N -0.021 122.772 122.820 -0.045 0.000 2.220 525 A HA 0.063 4.383 4.320 0.001 0.000 0.211 525 A C 1.240 178.808 177.584 -0.026 0.000 1.176 525 A CA 0.004 52.025 52.037 -0.027 0.000 0.834 525 A CB -0.570 18.419 19.000 -0.019 0.000 0.868 525 A HN 0.197 nan 8.150 nan 0.000 0.488 526 E N 1.065 121.238 120.200 -0.045 0.000 1.963 526 E HA 0.383 4.733 4.350 0.001 0.000 0.274 526 E C -0.822 175.748 176.600 -0.050 0.000 1.061 526 E CA -0.045 56.329 56.400 -0.043 0.000 0.847 526 E CB 0.201 29.868 29.700 -0.055 0.000 1.083 526 E HN 0.154 nan 8.360 nan 0.000 0.402 527 T N 4.138 118.672 114.554 -0.034 0.000 2.932 527 T HA 0.393 4.744 4.350 0.001 0.000 0.318 527 T C -2.811 171.872 174.700 -0.029 0.000 1.265 527 T CA -1.677 60.398 62.100 -0.041 0.000 1.036 527 T CB 1.571 70.410 68.868 -0.047 0.000 1.209 527 T HN 0.292 nan 8.240 nan 0.000 0.484 528 P HA 0.216 nan 4.420 nan 0.000 0.268 528 P C -0.439 176.836 177.300 -0.042 0.000 1.204 528 P CA -0.121 62.951 63.100 -0.048 0.000 0.768 528 P CB 0.502 32.171 31.700 -0.052 0.000 0.842 529 E N 1.588 121.752 120.200 -0.061 0.000 2.392 529 E HA 0.285 4.636 4.350 0.001 0.000 0.264 529 E C 1.198 177.769 176.600 -0.048 0.000 1.024 529 E CA 0.219 56.586 56.400 -0.055 0.000 0.903 529 E CB 0.146 29.769 29.700 -0.128 0.000 0.963 529 E HN 0.736 nan 8.360 nan 0.000 0.432 530 G N 2.613 111.397 108.800 -0.027 0.000 2.578 530 G HA2 -0.445 3.516 3.960 0.001 0.000 0.284 530 G HA3 -0.445 3.516 3.960 0.001 0.000 0.284 530 G C 0.496 175.378 174.900 -0.031 0.000 1.283 530 G CA 0.684 45.767 45.100 -0.027 0.000 0.944 530 G HN 0.917 nan 8.290 nan 0.000 0.558 531 Q N -2.436 117.345 119.800 -0.032 0.000 2.469 531 Q HA -0.277 4.063 4.340 0.001 0.000 0.454 531 Q C 1.577 177.560 176.000 -0.029 0.000 0.582 531 Q CA 2.587 58.371 55.803 -0.032 0.000 0.966 531 Q CB -1.685 27.030 28.738 -0.037 0.000 2.473 531 Q HN 2.496 nan 8.270 nan 0.000 1.015 532 A N 0.805 123.606 122.820 -0.031 0.000 3.118 532 A HA 0.394 4.715 4.320 0.001 0.000 0.256 532 A C 0.098 177.663 177.584 -0.032 0.000 1.667 532 A CA 0.132 52.151 52.037 -0.030 0.000 1.338 532 A CB -0.572 18.409 19.000 -0.032 0.000 1.127 532 A HN 0.547 nan 8.150 nan 0.000 0.634 533 C N 1.134 120.417 119.300 -0.028 0.000 2.322 533 C HA 0.591 5.051 4.460 0.001 0.000 0.343 533 C C 1.506 176.478 174.990 -0.030 0.000 1.190 533 C CA 0.904 59.905 59.018 -0.028 0.000 1.704 533 C CB -1.407 26.322 27.740 -0.018 0.000 2.293 533 C HN 1.674 nan 8.230 nan 0.000 0.523 534 G N 4.732 113.506 108.800 -0.043 0.000 2.201 534 G HA2 -0.213 3.748 3.960 0.001 0.000 0.212 534 G HA3 -0.213 3.748 3.960 0.001 0.000 0.212 534 G C 0.474 175.342 174.900 -0.053 0.000 0.994 534 G CA 0.411 45.477 45.100 -0.056 0.000 0.644 534 G HN 0.677 nan 8.290 nan 0.000 0.508 535 L N 0.088 121.288 121.223 -0.039 0.000 2.202 535 L HA 0.324 4.664 4.340 0.001 0.000 0.205 535 L C 1.083 177.933 176.870 -0.033 0.000 1.083 535 L CA 0.644 55.468 54.840 -0.027 0.000 0.790 535 L CB 0.274 42.320 42.059 -0.023 0.000 0.942 535 L HN 0.121 nan 8.230 nan 0.000 0.452 536 V N 1.571 121.459 119.914 -0.043 0.000 2.350 536 V HA 0.231 4.352 4.120 0.001 0.000 0.276 536 V C -0.258 175.800 176.094 -0.061 0.000 1.028 536 V CA -0.581 61.693 62.300 -0.043 0.000 0.860 536 V CB 1.145 32.944 31.823 -0.039 0.000 0.990 536 V HN 0.187 nan 8.190 nan 0.000 0.453 537 K N 3.911 124.272 120.400 -0.064 0.000 2.281 537 K HA 0.596 4.916 4.320 0.001 0.000 0.242 537 K C -0.945 175.615 176.600 -0.066 0.000 0.971 537 K CA -1.036 55.194 56.287 -0.096 0.000 0.834 537 K CB 1.799 34.204 32.500 -0.158 0.000 1.181 537 K HN 0.393 nan 8.250 nan 0.000 0.435 538 N N 1.896 120.548 118.700 -0.079 0.000 2.407 538 N HA 0.285 5.026 4.740 0.001 0.000 0.277 538 N C -0.520 174.954 175.510 -0.060 0.000 0.995 538 N CA -0.504 52.510 53.050 -0.060 0.000 0.903 538 N CB 1.217 39.667 38.487 -0.062 0.000 1.218 538 N HN 0.408 nan 8.380 nan 0.000 0.487 539 L N 1.227 122.428 121.223 -0.036 0.000 2.506 539 L HA 0.031 4.372 4.340 0.001 0.000 0.281 539 L C 1.381 178.225 176.870 -0.042 0.000 1.228 539 L CA 0.301 55.128 54.840 -0.022 0.000 0.850 539 L CB 0.109 42.155 42.059 -0.022 0.000 1.110 539 L HN 0.386 nan 8.230 nan 0.000 0.496 540 S N 1.530 117.208 115.700 -0.036 0.000 2.634 540 S HA 0.181 4.651 4.470 0.001 0.000 0.254 540 S C 1.297 175.884 174.600 -0.022 0.000 1.299 540 S CA -0.624 57.550 58.200 -0.043 0.000 0.974 540 S CB 0.529 63.698 63.200 -0.052 0.000 1.001 540 S HN 0.452 nan 8.310 nan 0.000 0.584 541 L N 0.354 121.581 121.223 0.007 0.000 2.049 541 L HA -0.083 4.257 4.340 0.001 0.000 0.203 541 L C 2.544 179.467 176.870 0.088 0.000 1.074 541 L CA 0.916 55.789 54.840 0.054 0.000 0.749 541 L CB -0.412 41.721 42.059 0.123 0.000 0.907 541 L HN 0.555 nan 8.230 nan 0.000 0.439 542 M N 0.216 119.884 119.600 0.113 0.000 2.067 542 M HA -0.069 4.411 4.480 0.001 0.000 0.260 542 M C 1.523 177.943 176.300 0.201 0.000 1.069 542 M CA 0.900 56.342 55.300 0.237 0.000 1.117 542 M CB -1.364 31.396 32.600 0.266 0.000 1.334 542 M HN 0.355 nan 8.290 nan 0.000 0.407 543 S N 0.317 116.060 115.700 0.072 0.000 2.536 543 S HA 0.018 4.488 4.470 0.001 0.000 0.290 543 S C 0.131 174.635 174.600 -0.160 0.000 1.302 543 S CA -0.447 57.730 58.200 -0.038 0.000 1.037 543 S CB -0.047 63.137 63.200 -0.026 0.000 0.804 543 S HN 0.495 nan 8.310 nan 0.000 0.506 544 C N 1.470 120.495 119.300 -0.458 0.000 3.323 544 C HA 0.650 5.110 4.460 0.001 0.000 0.324 544 C C -0.381 174.076 174.990 -0.888 0.000 1.428 544 C CA -0.965 57.676 59.018 -0.628 0.000 1.368 544 C CB 1.103 28.420 27.740 -0.706 0.000 1.731 544 C HN 0.932 nan 8.230 nan 0.000 0.455 545 I N 1.998 122.231 120.570 -0.562 0.000 2.433 545 I HA 0.340 4.511 4.170 0.001 0.000 0.292 545 I C 0.487 176.578 176.117 -0.044 0.000 1.001 545 I CA 0.068 61.174 61.300 -0.322 0.000 1.119 545 I CB 1.900 39.814 38.000 -0.144 0.000 1.289 545 I HN 0.817 nan 8.210 nan 0.000 0.438 546 S N 4.372 120.196 115.700 0.207 0.000 2.558 546 S HA 0.022 4.493 4.470 0.001 0.000 0.293 546 S C 0.631 175.321 174.600 0.150 0.000 1.292 546 S CA -0.508 57.892 58.200 0.334 0.000 1.063 546 S CB 1.499 64.830 63.200 0.219 0.000 0.831 546 S HN 0.559 nan 8.310 nan 0.000 0.499 547 V N 3.219 123.216 119.914 0.139 0.000 2.685 547 V HA 0.476 4.596 4.120 0.001 0.000 0.244 547 V C 1.067 177.199 176.094 0.062 0.000 1.054 547 V CA 1.523 63.870 62.300 0.078 0.000 1.076 547 V CB -0.501 31.356 31.823 0.056 0.000 0.725 547 V HN 1.735 nan 8.190 nan 0.000 0.467 548 G N 0.196 109.039 108.800 0.071 0.000 3.400 548 G HA2 0.042 4.002 3.960 0.001 0.000 0.679 548 G HA3 0.042 4.002 3.960 0.001 0.000 0.679 548 G C -0.459 174.484 174.900 0.072 0.000 1.239 548 G CA -0.218 44.924 45.100 0.069 0.000 1.049 548 G HN 0.473 nan 8.290 nan 0.000 0.539 549 T N 1.296 115.899 114.554 0.082 0.000 2.819 549 T HA 0.730 5.080 4.350 0.001 0.000 0.271 549 T C -0.427 174.330 174.700 0.096 0.000 0.986 549 T CA -0.561 61.593 62.100 0.090 0.000 0.989 549 T CB 1.692 70.604 68.868 0.074 0.000 1.396 549 T HN 0.596 nan 8.240 nan 0.000 0.597 550 D N 0.638 121.091 120.400 0.089 0.000 2.252 550 D HA 0.330 4.970 4.640 0.001 0.000 0.245 550 D C -1.492 174.845 176.300 0.063 0.000 1.009 550 D CA -2.252 51.795 54.000 0.079 0.000 0.870 550 D CB 2.239 43.084 40.800 0.075 0.000 1.251 550 D HN 0.087 nan 8.370 nan 0.000 0.460 551 P HA -0.078 nan 4.420 nan 0.000 0.212 551 P C 1.815 179.123 177.300 0.014 0.000 1.179 551 P CA 0.884 64.014 63.100 0.049 0.000 0.898 551 P CB 0.480 32.224 31.700 0.073 0.000 0.775 552 M N 0.472 120.079 119.600 0.013 0.000 2.124 552 M HA -0.160 4.321 4.480 0.001 0.000 0.253 552 M C -0.413 175.902 176.300 0.025 0.000 1.077 552 M CA 3.367 58.670 55.300 0.006 0.000 1.085 552 M CB -2.462 30.149 32.600 0.017 0.000 1.320 552 M HN 0.080 nan 8.290 nan 0.000 0.404 553 P HA -0.102 nan 4.420 nan 0.000 0.228 553 P C 1.043 178.392 177.300 0.081 0.000 1.151 553 P CA 1.476 64.615 63.100 0.065 0.000 0.770 553 P CB -0.204 31.530 31.700 0.057 0.000 0.786 554 I N -2.361 118.220 120.570 0.019 0.000 4.139 554 I HA 0.063 4.234 4.170 0.001 0.000 0.320 554 I C 2.395 178.492 176.117 -0.034 0.000 1.290 554 I CA -0.020 61.246 61.300 -0.056 0.000 1.253 554 I CB 0.086 38.019 38.000 -0.112 0.000 1.122 554 I HN -0.199 nan 8.210 nan 0.000 0.421 555 I N 0.946 121.493 120.570 -0.037 0.000 2.141 555 I HA -0.226 3.944 4.170 0.001 0.000 0.236 555 I C 2.526 178.647 176.117 0.007 0.000 1.071 555 I CA 1.565 62.805 61.300 -0.101 0.000 1.345 555 I CB -0.287 37.584 38.000 -0.216 0.000 1.066 555 I HN 0.145 nan 8.210 nan 0.000 0.406 556 T N 1.308 115.884 114.554 0.036 0.000 2.620 556 T HA -0.330 4.020 4.350 0.001 0.000 0.267 556 T C 1.704 176.504 174.700 0.166 0.000 1.044 556 T CA 2.200 64.346 62.100 0.078 0.000 1.161 556 T CB -0.753 68.158 68.868 0.071 0.000 0.862 556 T HN 0.357 nan 8.240 nan 0.000 0.438 557 F N 1.071 121.026 119.950 0.008 0.000 2.154 557 F HA -0.148 4.380 4.527 0.001 0.000 0.301 557 F C 2.033 177.873 175.800 0.067 0.000 1.087 557 F CA 1.007 59.026 58.000 0.031 0.000 1.274 557 F CB -0.186 38.781 39.000 -0.055 0.000 1.009 557 F HN 0.098 nan 8.300 nan 0.000 0.485 558 L N 0.185 121.648 121.223 0.400 0.000 1.948 558 L HA -0.272 4.068 4.340 0.001 0.000 0.212 558 L C 2.771 179.776 176.870 0.225 0.000 1.074 558 L CA 1.739 56.736 54.840 0.262 0.000 0.753 558 L CB -1.039 41.063 42.059 0.072 0.000 0.888 558 L HN 0.259 nan 8.230 nan 0.000 0.432 559 S N -0.992 114.791 115.700 0.138 0.000 2.559 559 S HA -0.195 4.276 4.470 0.001 0.000 0.250 559 S C 1.153 175.816 174.600 0.106 0.000 0.977 559 S CA 1.134 59.394 58.200 0.100 0.000 0.958 559 S CB -0.497 62.737 63.200 0.058 0.000 0.751 559 S HN 0.501 nan 8.310 nan 0.000 0.534 560 E N -1.221 119.080 120.200 0.169 0.000 2.569 560 E HA 0.182 4.533 4.350 0.001 0.000 0.205 560 E C -0.641 176.020 176.600 0.101 0.000 1.006 560 E CA -0.235 56.227 56.400 0.103 0.000 0.985 560 E CB 0.264 30.012 29.700 0.080 0.000 1.060 560 E HN 0.734 nan 8.360 nan 0.000 0.460 561 W N -0.620 120.686 121.300 0.010 0.000 1.780 561 W HA 0.263 4.923 4.660 0.001 0.000 0.256 561 W C 1.021 177.561 176.519 0.034 0.000 0.844 561 W CA 0.040 57.398 57.345 0.022 0.000 1.227 561 W CB 1.524 31.038 29.460 0.090 0.000 1.006 561 W HN 0.152 nan 8.180 nan 0.000 0.493 562 G N 0.302 109.224 108.800 0.204 0.000 2.559 562 G HA2 -0.168 3.793 3.960 0.001 0.000 0.202 562 G HA3 -0.168 3.793 3.960 0.001 0.000 0.202 562 G C 0.056 175.211 174.900 0.426 0.000 0.992 562 G CA -0.328 44.977 45.100 0.341 0.000 0.764 562 G HN 0.035 nan 8.290 nan 0.000 0.525 563 M N 2.678 122.392 119.600 0.190 0.000 2.264 563 M HA 0.406 4.886 4.480 0.001 0.000 0.340 563 M C 0.004 176.362 176.300 0.096 0.000 1.420 563 M CA -0.029 55.361 55.300 0.150 0.000 1.254 563 M CB -0.038 32.611 32.600 0.081 0.000 1.575 563 M HN 0.167 nan 8.290 nan 0.000 0.452 564 E N 7.605 127.857 120.200 0.087 0.000 2.238 564 E HA 0.117 4.467 4.350 0.001 0.000 0.264 564 E C -2.096 174.484 176.600 -0.034 0.000 1.136 564 E CA -1.536 54.877 56.400 0.022 0.000 0.929 564 E CB -0.042 29.669 29.700 0.018 0.000 1.010 564 E HN 0.483 nan 8.360 nan 0.000 0.440 565 P HA -0.166 nan 4.420 nan 0.000 0.261 565 P C 0.719 177.910 177.300 -0.182 0.000 1.173 565 P CA 0.028 63.082 63.100 -0.077 0.000 0.760 565 P CB 0.781 32.454 31.700 -0.044 0.000 0.783 566 L N 4.311 125.354 121.223 -0.300 0.000 2.051 566 L HA -0.260 4.081 4.340 0.001 0.000 0.214 566 L C 2.293 178.891 176.870 -0.454 0.000 1.076 566 L CA 2.006 56.497 54.840 -0.582 0.000 0.758 566 L CB -1.049 40.579 42.059 -0.718 0.000 0.890 566 L HN 0.323 nan 8.230 nan 0.000 0.433 567 E N 0.100 120.156 120.200 -0.240 0.000 2.149 567 E HA -0.245 4.105 4.350 0.001 0.000 0.215 567 E C 0.367 176.905 176.600 -0.103 0.000 1.055 567 E CA 1.854 58.168 56.400 -0.144 0.000 0.870 567 E CB -0.721 28.904 29.700 -0.124 0.000 0.764 567 E HN 0.654 nan 8.360 nan 0.000 0.463 568 D N -0.121 120.210 120.400 -0.115 0.000 2.505 568 D HA 0.136 4.776 4.640 0.001 0.000 0.242 568 D C -0.695 175.561 176.300 -0.073 0.000 1.136 568 D CA -0.215 53.744 54.000 -0.068 0.000 0.954 568 D CB -0.016 40.747 40.800 -0.062 0.000 1.002 568 D HN 0.029 nan 8.370 nan 0.000 0.512 569 Y N 1.258 121.399 120.300 -0.265 0.000 2.446 569 Y HA 0.417 4.967 4.550 0.001 0.000 0.338 569 Y C -0.477 175.351 175.900 -0.120 0.000 1.055 569 Y CA -1.200 56.708 58.100 -0.321 0.000 1.101 569 Y CB 1.634 39.632 38.460 -0.769 0.000 1.221 569 Y HN 0.065 nan 8.280 nan 0.000 0.460 570 V N 5.634 125.042 119.914 -0.844 0.000 2.443 570 V HA 0.368 4.488 4.120 0.001 0.000 0.272 570 V C -2.178 173.367 176.094 -0.914 0.000 1.002 570 V CA -1.652 60.241 62.300 -0.679 0.000 0.840 570 V CB 0.905 32.443 31.823 -0.474 0.000 1.042 570 V HN 0.705 nan 8.190 nan 0.000 0.446 571 P HA -0.299 nan 4.420 nan 0.000 0.219 571 P C 1.288 178.495 177.300 -0.156 0.000 1.159 571 P CA 2.717 65.591 63.100 -0.377 0.000 0.944 571 P CB -0.177 31.543 31.700 0.034 0.000 0.792 572 H N -1.073 117.919 119.070 -0.130 0.000 2.547 572 H HA 0.090 4.646 4.556 0.001 0.000 0.272 572 H C 1.977 177.255 175.328 -0.083 0.000 0.989 572 H CA 0.725 56.734 56.048 -0.064 0.000 1.214 572 H CB -0.857 28.886 29.762 -0.033 0.000 1.389 572 H HN 0.306 nan 8.280 nan 0.000 0.577 573 Q N 1.419 120.979 119.800 -0.399 0.000 2.269 573 Q HA 0.045 4.386 4.340 0.001 0.000 0.201 573 Q C -0.075 175.819 176.000 -0.176 0.000 0.946 573 Q CA 0.456 56.095 55.803 -0.274 0.000 0.877 573 Q CB 0.567 29.105 28.738 -0.334 0.000 0.963 573 Q HN 0.222 nan 8.270 nan 0.000 0.472 574 S N 1.813 117.391 115.700 -0.204 0.000 2.399 574 S HA 0.228 4.699 4.470 0.001 0.000 0.215 574 S C -2.158 172.434 174.600 -0.013 0.000 1.456 574 S CA -1.125 57.013 58.200 -0.103 0.000 1.199 574 S CB 1.669 64.799 63.200 -0.117 0.000 1.063 574 S HN 0.269 nan 8.310 nan 0.000 0.476 575 P HA -0.058 nan 4.420 nan 0.000 0.210 575 P C 0.142 177.522 177.300 0.133 0.000 1.192 575 P CA 1.222 64.378 63.100 0.095 0.000 0.913 575 P CB 0.065 31.811 31.700 0.076 0.000 0.774 576 D N 0.313 120.773 120.400 0.101 0.000 2.400 576 D HA 0.221 4.861 4.640 0.001 0.000 0.243 576 D C 0.560 176.930 176.300 0.116 0.000 1.184 576 D CA 0.050 54.114 54.000 0.107 0.000 0.853 576 D CB -0.590 40.254 40.800 0.073 0.000 0.944 576 D HN 0.165 nan 8.370 nan 0.000 0.501 577 A N 0.668 123.577 122.820 0.150 0.000 2.567 577 A HA 0.115 4.435 4.320 0.001 0.000 0.240 577 A C 0.688 178.373 177.584 0.169 0.000 1.053 577 A CA 0.342 52.481 52.037 0.170 0.000 0.755 577 A CB 0.050 19.230 19.000 0.301 0.000 0.978 577 A HN 0.045 nan 8.150 nan 0.000 0.507 578 T N 4.616 119.249 114.554 0.131 0.000 3.145 578 T HA 0.320 4.670 4.350 0.001 0.000 0.348 578 T C 0.499 175.268 174.700 0.115 0.000 1.299 578 T CA -0.459 61.715 62.100 0.124 0.000 1.037 578 T CB -0.258 68.681 68.868 0.117 0.000 1.122 578 T HN 0.782 nan 8.240 nan 0.000 0.600 579 R N 1.451 122.013 120.500 0.104 0.000 2.585 579 R HA 0.314 4.655 4.340 0.001 0.000 0.275 579 R C -0.812 175.427 176.300 -0.102 0.000 1.018 579 R CA -0.351 55.814 56.100 0.109 0.000 1.072 579 R CB 0.061 30.407 30.300 0.078 0.000 0.953 579 R HN 0.209 nan 8.270 nan 0.000 0.419 580 V N 4.019 123.889 119.914 -0.073 0.000 2.581 580 V HA 0.453 4.573 4.120 0.001 0.000 0.303 580 V C -0.597 175.318 176.094 -0.298 0.000 1.041 580 V CA -0.608 61.616 62.300 -0.127 0.000 0.907 580 V CB 1.287 33.122 31.823 0.019 0.000 0.994 580 V HN 0.608 nan 8.190 nan 0.000 0.442 581 F N 2.985 122.932 119.950 -0.005 0.000 2.507 581 F HA 0.723 5.250 4.527 0.001 0.000 0.325 581 F C -0.142 175.650 175.800 -0.014 0.000 1.116 581 F CA -0.820 57.176 58.000 -0.005 0.000 0.930 581 F CB 2.162 41.103 39.000 -0.098 0.000 1.146 581 F HN 0.243 nan 8.300 nan 0.000 0.447 582 V N 3.831 123.936 119.914 0.318 0.000 2.686 582 V HA 0.346 4.466 4.120 0.001 0.000 0.306 582 V C -0.523 175.776 176.094 0.341 0.000 1.065 582 V CA -0.907 61.536 62.300 0.240 0.000 0.894 582 V CB 1.694 33.680 31.823 0.272 0.000 1.004 582 V HN 0.828 nan 8.190 nan 0.000 0.424 583 N N 4.311 123.255 118.700 0.407 0.000 2.701 583 N HA -0.199 4.541 4.740 0.001 0.000 0.250 583 N C 0.800 176.574 175.510 0.440 0.000 1.046 583 N CA 1.907 55.255 53.050 0.497 0.000 0.733 583 N CB -0.992 37.680 38.487 0.309 0.000 0.973 583 N HN 1.716 nan 8.380 nan 0.000 0.541 584 G N -2.542 106.589 108.800 0.551 0.000 2.256 584 G HA2 -0.146 3.814 3.960 0.001 0.000 0.272 584 G HA3 -0.146 3.814 3.960 0.001 0.000 0.272 584 G C -0.268 174.905 174.900 0.455 0.000 1.076 584 G CA 0.212 45.564 45.100 0.419 0.000 0.882 584 G HN 0.616 nan 8.290 nan 0.000 0.497 585 V N -0.988 119.207 119.914 0.469 0.000 3.049 585 V HA 0.718 4.838 4.120 0.001 0.000 0.309 585 V C -0.642 175.619 176.094 0.278 0.000 1.148 585 V CA -1.336 61.104 62.300 0.233 0.000 0.990 585 V CB 2.112 33.852 31.823 -0.138 0.000 1.039 585 V HN 0.347 nan 8.190 nan 0.000 0.430 586 W N 3.708 124.949 121.300 -0.098 0.000 2.317 586 W HA 0.499 5.159 4.660 0.001 0.000 0.327 586 W C 0.545 176.847 176.519 -0.363 0.000 1.036 586 W CA -0.663 56.503 57.345 -0.298 0.000 1.419 586 W CB 0.205 29.616 29.460 -0.082 0.000 1.253 586 W HN 0.664 nan 8.180 nan 0.000 0.392 587 H N 3.793 122.944 119.070 0.134 0.000 2.507 587 H HA 0.332 4.889 4.556 0.001 0.000 0.294 587 H C 1.205 176.471 175.328 -0.104 0.000 1.064 587 H CA 0.908 56.962 56.048 0.010 0.000 1.138 587 H CB 0.073 29.861 29.762 0.043 0.000 1.515 587 H HN 0.588 nan 8.280 nan 0.000 0.547 588 G N -0.169 108.497 108.800 -0.222 0.000 2.352 588 G HA2 -0.100 3.860 3.960 0.001 0.000 0.324 588 G HA3 -0.100 3.860 3.960 0.001 0.000 0.324 588 G C -0.984 173.785 174.900 -0.218 0.000 1.249 588 G CA -0.288 44.601 45.100 -0.351 0.000 1.053 588 G HN 0.163 nan 8.290 nan 0.000 0.492 589 V N -0.893 118.948 119.914 -0.123 0.000 3.119 589 V HA 0.991 5.112 4.120 0.001 0.000 0.309 589 V C -0.201 175.983 176.094 0.149 0.000 1.304 589 V CA 0.112 62.425 62.300 0.021 0.000 1.057 589 V CB 1.914 33.740 31.823 0.005 0.000 1.150 589 V HN 1.740 nan 8.190 nan 0.000 0.474 590 H N -0.510 118.588 119.070 0.046 0.000 3.094 590 H HA 0.527 5.083 4.556 0.001 0.000 0.335 590 H C -0.421 174.946 175.328 0.065 0.000 1.254 590 H CA -0.658 55.424 56.048 0.057 0.000 1.240 590 H CB 1.315 31.117 29.762 0.067 0.000 1.936 590 H HN 0.554 nan 8.280 nan 0.000 0.536 591 R N 1.273 121.440 120.500 -0.554 0.000 2.615 591 R HA 0.153 4.494 4.340 0.001 0.000 0.178 591 R C 0.176 176.187 176.300 -0.482 0.000 0.958 591 R CA -0.661 55.217 56.100 -0.370 0.000 1.275 591 R CB -0.380 29.768 30.300 -0.254 0.000 1.207 591 R HN 0.682 nan 8.270 nan 0.000 0.535 592 N N 3.597 122.142 118.700 -0.259 0.000 2.106 592 N HA -0.087 4.654 4.740 0.001 0.000 0.284 592 N C -1.677 173.837 175.510 0.006 0.000 1.388 592 N CA -0.169 52.824 53.050 -0.095 0.000 0.944 592 N CB 0.483 38.952 38.487 -0.030 0.000 1.333 592 N HN 0.306 nan 8.380 nan 0.000 0.489 593 P HA 0.065 nan 4.420 nan 0.000 0.252 593 P C 1.023 178.445 177.300 0.202 0.000 1.211 593 P CA 0.205 63.525 63.100 0.367 0.000 0.824 593 P CB 0.133 32.046 31.700 0.354 0.000 1.077 594 A N 1.597 124.497 122.820 0.134 0.000 1.985 594 A HA -0.252 4.068 4.320 0.001 0.000 0.223 594 A C 2.362 180.007 177.584 0.101 0.000 1.189 594 A CA 1.752 53.847 52.037 0.096 0.000 0.658 594 A CB -1.074 17.971 19.000 0.075 0.000 0.820 594 A HN 0.174 nan 8.150 nan 0.000 0.464 595 R N -1.649 118.934 120.500 0.139 0.000 2.057 595 R HA 0.055 4.395 4.340 0.001 0.000 0.224 595 R C 2.178 178.566 176.300 0.146 0.000 1.136 595 R CA 0.961 57.148 56.100 0.146 0.000 0.968 595 R CB -0.737 29.670 30.300 0.179 0.000 0.863 595 R HN 0.498 nan 8.270 nan 0.000 0.433 596 L N 1.318 122.655 121.223 0.189 0.000 2.064 596 L HA -0.259 4.082 4.340 0.001 0.000 0.216 596 L C 2.234 179.102 176.870 -0.002 0.000 1.077 596 L CA 1.906 56.796 54.840 0.083 0.000 0.766 596 L CB -0.476 41.550 42.059 -0.055 0.000 0.890 596 L HN 0.131 nan 8.230 nan 0.000 0.435 597 M N 0.159 119.773 119.600 0.024 0.000 2.091 597 M HA -0.202 4.279 4.480 0.001 0.000 0.259 597 M C 2.305 178.590 176.300 -0.026 0.000 1.076 597 M CA 2.239 57.533 55.300 -0.011 0.000 1.111 597 M CB -0.803 31.808 32.600 0.019 0.000 1.291 597 M HN 0.456 nan 8.290 nan 0.000 0.417 598 E N -1.605 118.599 120.200 0.007 0.000 2.455 598 E HA -0.175 4.176 4.350 0.001 0.000 0.202 598 E C 1.030 177.616 176.600 -0.023 0.000 1.045 598 E CA 1.391 57.791 56.400 -0.001 0.000 0.872 598 E CB -0.002 29.711 29.700 0.023 0.000 0.792 598 E HN 0.562 nan 8.360 nan 0.000 0.542 599 T N -0.105 114.423 114.554 -0.043 0.000 3.035 599 T HA 0.083 4.433 4.350 0.001 0.000 0.259 599 T C 1.552 176.122 174.700 -0.216 0.000 1.078 599 T CA 0.240 62.270 62.100 -0.116 0.000 1.132 599 T CB 0.181 68.965 68.868 -0.140 0.000 0.900 599 T HN 0.156 nan 8.240 nan 0.000 0.480 600 L N 0.115 121.208 121.223 -0.217 0.000 2.202 600 L HA 0.177 4.517 4.340 0.001 0.000 0.205 600 L C 2.743 179.498 176.870 -0.192 0.000 1.083 600 L CA 0.693 55.357 54.840 -0.293 0.000 0.790 600 L CB -0.271 41.611 42.059 -0.296 0.000 0.942 600 L HN 0.063 nan 8.230 nan 0.000 0.452 601 R N -0.367 120.061 120.500 -0.120 0.000 2.096 601 R HA -0.095 4.245 4.340 0.001 0.000 0.235 601 R C 1.874 178.128 176.300 -0.077 0.000 1.127 601 R CA 1.736 57.789 56.100 -0.078 0.000 0.968 601 R CB -0.403 29.873 30.300 -0.039 0.000 0.861 601 R HN 0.286 nan 8.270 nan 0.000 0.440 602 T N 1.133 115.641 114.554 -0.076 0.000 3.100 602 T HA 0.077 4.428 4.350 0.001 0.000 0.253 602 T C 1.531 176.190 174.700 -0.070 0.000 1.118 602 T CA 0.121 62.185 62.100 -0.061 0.000 1.058 602 T CB 0.186 69.031 68.868 -0.038 0.000 0.953 602 T HN 0.033 nan 8.240 nan 0.000 0.515 603 L N 1.385 122.544 121.223 -0.107 0.000 2.095 603 L HA 0.140 4.480 4.340 0.001 0.000 0.204 603 L C 2.552 179.366 176.870 -0.094 0.000 1.080 603 L CA 1.545 56.321 54.840 -0.106 0.000 0.759 603 L CB -0.626 41.299 42.059 -0.223 0.000 0.914 603 L HN 0.208 nan 8.230 nan 0.000 0.439 604 R N 0.318 120.751 120.500 -0.111 0.000 2.055 604 R HA -0.112 4.229 4.340 0.001 0.000 0.228 604 R C 2.008 178.255 176.300 -0.088 0.000 1.143 604 R CA 0.771 56.813 56.100 -0.097 0.000 0.945 604 R CB -0.166 30.073 30.300 -0.101 0.000 0.841 604 R HN 0.239 nan 8.270 nan 0.000 0.429 605 R N 0.484 120.932 120.500 -0.087 0.000 2.417 605 R HA -0.143 4.197 4.340 0.001 0.000 0.220 605 R C 1.893 178.146 176.300 -0.078 0.000 1.128 605 R CA 1.048 57.093 56.100 -0.092 0.000 1.048 605 R CB -0.064 30.188 30.300 -0.080 0.000 0.835 605 R HN 0.288 nan 8.270 nan 0.000 0.483 606 K N -0.851 119.513 120.400 -0.060 0.000 2.367 606 K HA 0.029 4.349 4.320 0.001 0.000 0.198 606 K C 0.809 177.389 176.600 -0.033 0.000 1.132 606 K CA 0.981 57.245 56.287 -0.038 0.000 0.941 606 K CB 0.932 33.420 32.500 -0.019 0.000 1.052 606 K HN 0.203 nan 8.250 nan 0.000 0.507 607 G N 1.412 110.190 108.800 -0.037 0.000 2.151 607 G HA2 -0.125 3.836 3.960 0.001 0.000 0.140 607 G HA3 -0.125 3.836 3.960 0.001 0.000 0.140 607 G C 0.069 174.966 174.900 -0.005 0.000 1.020 607 G CA 0.212 45.297 45.100 -0.024 0.000 0.688 607 G HN 0.315 nan 8.290 nan 0.000 0.500 608 D N 0.109 120.504 120.400 -0.008 0.000 2.216 608 D HA 0.152 4.792 4.640 0.001 0.000 0.208 608 D C 1.292 177.589 176.300 -0.006 0.000 0.960 608 D CA 0.636 54.645 54.000 0.015 0.000 0.861 608 D CB 0.660 41.487 40.800 0.046 0.000 0.985 608 D HN 0.484 nan 8.370 nan 0.000 0.493 609 I N 2.151 122.688 120.570 -0.054 0.000 2.328 609 I HA 0.072 4.242 4.170 0.001 0.000 0.287 609 I C 0.372 176.458 176.117 -0.052 0.000 1.012 609 I CA -0.763 60.488 61.300 -0.082 0.000 1.195 609 I CB 1.001 38.904 38.000 -0.162 0.000 1.350 609 I HN -0.181 nan 8.210 nan 0.000 0.464 610 N N 8.512 127.201 118.700 -0.018 0.000 2.036 610 N HA -0.107 4.633 4.740 0.001 0.000 0.288 610 N C -1.711 173.788 175.510 -0.019 0.000 1.293 610 N CA -0.312 52.739 53.050 0.002 0.000 0.808 610 N CB 0.985 39.490 38.487 0.031 0.000 1.040 610 N HN 0.323 nan 8.380 nan 0.000 0.489 611 P HA -0.108 nan 4.420 nan 0.000 0.229 611 P C 0.775 178.072 177.300 -0.006 0.000 1.150 611 P CA 0.956 64.009 63.100 -0.079 0.000 0.765 611 P CB 0.278 31.878 31.700 -0.168 0.000 0.783 612 E N -0.445 119.762 120.200 0.011 0.000 2.038 612 E HA -0.021 4.330 4.350 0.001 0.000 0.190 612 E C 0.236 176.769 176.600 -0.113 0.000 0.967 612 E CA 0.202 56.534 56.400 -0.113 0.000 0.816 612 E CB -0.057 29.623 29.700 -0.033 0.000 0.784 612 E HN -0.207 nan 8.360 nan 0.000 0.456 613 V N 2.466 122.363 119.914 -0.028 0.000 2.902 613 V HA -0.145 3.976 4.120 0.001 0.000 0.297 613 V C 0.359 176.452 176.094 -0.001 0.000 1.230 613 V CA 0.943 63.248 62.300 0.008 0.000 1.344 613 V CB 0.620 32.446 31.823 0.004 0.000 0.889 613 V HN 0.422 nan 8.190 nan 0.000 0.515 614 S N 5.583 121.313 115.700 0.050 0.000 2.537 614 S HA 0.914 5.384 4.470 0.001 0.000 0.301 614 S C -0.886 173.710 174.600 -0.007 0.000 1.092 614 S CA -1.008 57.217 58.200 0.042 0.000 1.048 614 S CB 1.891 65.159 63.200 0.112 0.000 1.053 614 S HN 0.579 nan 8.310 nan 0.000 0.501 615 M N 2.137 121.714 119.600 -0.038 0.000 2.324 615 M HA 0.556 5.037 4.480 0.001 0.000 0.288 615 M C -1.868 174.396 176.300 -0.061 0.000 1.097 615 M CA -0.478 54.771 55.300 -0.085 0.000 0.928 615 M CB 1.907 34.453 32.600 -0.091 0.000 1.648 615 M HN 0.520 nan 8.290 nan 0.000 0.460 616 I N 1.854 122.375 120.570 -0.081 0.000 2.533 616 I HA 0.508 4.679 4.170 0.001 0.000 0.290 616 I C -0.537 175.565 176.117 -0.026 0.000 1.056 616 I CA -0.477 60.799 61.300 -0.039 0.000 1.057 616 I CB 2.226 40.206 38.000 -0.032 0.000 1.240 616 I HN 0.669 nan 8.210 nan 0.000 0.423 617 R N 4.210 124.710 120.500 0.001 0.000 2.239 617 R HA 0.259 4.599 4.340 0.001 0.000 0.332 617 R C -0.849 175.467 176.300 0.027 0.000 0.988 617 R CA -0.371 55.739 56.100 0.017 0.000 0.859 617 R CB 0.614 30.930 30.300 0.027 0.000 1.148 617 R HN 0.624 nan 8.270 nan 0.000 0.482 618 D N 6.672 127.090 120.400 0.030 0.000 2.563 618 D HA 0.063 4.703 4.640 0.001 0.000 0.222 618 D C 1.501 177.828 176.300 0.045 0.000 1.145 618 D CA -0.098 53.923 54.000 0.035 0.000 1.001 618 D CB 0.408 41.228 40.800 0.034 0.000 1.049 618 D HN 0.631 nan 8.370 nan 0.000 0.515 619 I N 2.026 122.622 120.570 0.043 0.000 2.053 619 I HA -0.399 3.771 4.170 0.001 0.000 0.236 619 I C 2.434 178.582 176.117 0.050 0.000 1.038 619 I CA 1.298 62.627 61.300 0.048 0.000 1.304 619 I CB -0.166 37.860 38.000 0.042 0.000 1.023 619 I HN 0.298 nan 8.210 nan 0.000 0.395 620 R N 0.239 120.764 120.500 0.043 0.000 2.174 620 R HA -0.262 4.078 4.340 0.001 0.000 0.253 620 R C 1.941 178.271 176.300 0.050 0.000 1.165 620 R CA 1.839 57.965 56.100 0.042 0.000 0.984 620 R CB -0.420 29.901 30.300 0.034 0.000 0.873 620 R HN 0.399 nan 8.270 nan 0.000 0.456 621 E N 0.735 120.967 120.200 0.054 0.000 2.460 621 E HA 0.031 4.381 4.350 0.001 0.000 0.200 621 E C -0.593 176.056 176.600 0.083 0.000 1.011 621 E CA 0.056 56.495 56.400 0.064 0.000 0.912 621 E CB 0.328 30.063 29.700 0.058 0.000 0.953 621 E HN 0.085 nan 8.360 nan 0.000 0.494 622 K N 1.255 121.702 120.400 0.078 0.000 3.619 622 K HA -0.193 4.128 4.320 0.001 0.000 0.275 622 K C -1.069 175.583 176.600 0.087 0.000 0.993 622 K CA 0.905 57.245 56.287 0.089 0.000 0.787 622 K CB -1.452 31.114 32.500 0.110 0.000 1.431 622 K HN 0.271 nan 8.250 nan 0.000 0.451 623 E N 0.414 120.659 120.200 0.074 0.000 2.343 623 E HA 0.423 4.773 4.350 0.001 0.000 0.278 623 E C -1.410 175.228 176.600 0.065 0.000 0.910 623 E CA -1.166 55.279 56.400 0.076 0.000 0.757 623 E CB 1.960 31.728 29.700 0.114 0.000 1.218 623 E HN 0.079 nan 8.360 nan 0.000 0.435 624 L N 2.573 123.832 121.223 0.060 0.000 2.319 624 L HA 0.369 4.709 4.340 0.001 0.000 0.281 624 L C -1.220 175.664 176.870 0.023 0.000 1.005 624 L CA -0.433 54.423 54.840 0.026 0.000 0.828 624 L CB 0.759 42.827 42.059 0.015 0.000 1.227 624 L HN 0.290 nan 8.230 nan 0.000 0.415 625 K N 7.092 127.451 120.400 -0.067 0.000 2.265 625 K HA 0.539 4.859 4.320 0.001 0.000 0.267 625 K C -1.087 175.292 176.600 -0.368 0.000 0.994 625 K CA -0.324 55.814 56.287 -0.248 0.000 0.860 625 K CB 1.903 34.197 32.500 -0.344 0.000 1.099 625 K HN 0.580 nan 8.250 nan 0.000 0.448 626 I N 4.229 124.556 120.570 -0.405 0.000 2.439 626 I HA 0.374 4.544 4.170 0.001 0.000 0.285 626 I C -0.691 175.271 176.117 -0.259 0.000 1.021 626 I CA -0.692 60.442 61.300 -0.277 0.000 1.091 626 I CB 1.038 38.971 38.000 -0.112 0.000 1.242 626 I HN 0.389 nan 8.210 nan 0.000 0.439 627 F N 3.540 123.511 119.950 0.034 0.000 2.508 627 F HA 0.357 4.884 4.527 0.001 0.000 0.325 627 F C 1.061 176.876 175.800 0.025 0.000 1.090 627 F CA -0.525 57.496 58.000 0.035 0.000 0.945 627 F CB 2.379 41.392 39.000 0.023 0.000 1.156 627 F HN 0.293 nan 8.300 nan 0.000 0.463 628 T N -0.099 114.615 114.554 0.265 0.000 3.058 628 T HA -0.000 4.350 4.350 0.001 0.000 0.278 628 T C -0.094 174.674 174.700 0.115 0.000 0.974 628 T CA -0.161 62.027 62.100 0.147 0.000 0.893 628 T CB -0.340 68.599 68.868 0.119 0.000 1.138 628 T HN 0.503 nan 8.240 nan 0.000 0.529 629 D N 2.498 122.957 120.400 0.100 0.000 2.583 629 D HA 0.059 4.699 4.640 0.001 0.000 0.232 629 D C 0.168 176.477 176.300 0.015 0.000 1.128 629 D CA 0.295 54.298 54.000 0.006 0.000 0.859 629 D CB 0.772 41.477 40.800 -0.158 0.000 1.169 629 D HN 0.368 nan 8.370 nan 0.000 0.481 630 A N 2.661 125.492 122.820 0.019 0.000 2.376 630 A HA 0.515 4.835 4.320 0.001 0.000 0.298 630 A C 1.020 178.604 177.584 0.001 0.000 1.271 630 A CA 0.396 52.452 52.037 0.031 0.000 0.926 630 A CB 0.209 19.238 19.000 0.048 0.000 1.141 630 A HN 0.714 nan 8.150 nan 0.000 0.539 631 G N 2.579 111.379 108.800 0.000 0.000 2.192 631 G HA2 -0.078 3.883 3.960 0.001 0.000 0.152 631 G HA3 -0.078 3.883 3.960 0.001 0.000 0.152 631 G C -0.185 174.664 174.900 -0.085 0.000 1.057 631 G CA -0.709 44.365 45.100 -0.043 0.000 0.748 631 G HN 0.792 nan 8.290 nan 0.000 0.488 632 R N 0.007 120.489 120.500 -0.030 0.000 2.393 632 R HA 0.592 4.932 4.340 0.001 0.000 0.310 632 R C 0.085 176.370 176.300 -0.025 0.000 0.968 632 R CA -0.764 55.308 56.100 -0.046 0.000 0.867 632 R CB 2.405 32.728 30.300 0.039 0.000 1.124 632 R HN 0.063 nan 8.270 nan 0.000 0.450 633 V N 5.133 124.963 119.914 -0.141 0.000 2.427 633 V HA 0.174 4.294 4.120 0.001 0.000 0.268 633 V C -0.578 175.535 176.094 0.032 0.000 1.046 633 V CA -0.219 62.007 62.300 -0.123 0.000 0.970 633 V CB -0.334 31.449 31.823 -0.068 0.000 1.001 633 V HN 0.635 nan 8.190 nan 0.000 0.476 634 Y N 4.328 124.624 120.300 -0.007 0.000 2.536 634 Y HA 0.899 5.449 4.550 0.001 0.000 0.347 634 Y C -0.205 175.695 175.900 0.000 0.000 1.000 634 Y CA -1.723 56.384 58.100 0.011 0.000 1.051 634 Y CB 1.395 39.849 38.460 -0.011 0.000 1.259 634 Y HN 0.646 nan 8.280 nan 0.000 0.468 635 R N 1.372 122.042 120.500 0.283 0.000 2.960 635 R HA 0.764 5.104 4.340 0.001 0.000 0.249 635 R C -3.184 173.307 176.300 0.318 0.000 1.192 635 R CA -2.022 54.211 56.100 0.222 0.000 1.035 635 R CB 2.077 32.479 30.300 0.170 0.000 1.234 635 R HN 0.520 nan 8.270 nan 0.000 0.493 636 P HA 0.461 nan 4.420 nan 0.000 0.299 636 P C -1.055 176.327 177.300 0.136 0.000 1.323 636 P CA -0.641 62.658 63.100 0.331 0.000 0.896 636 P CB 2.009 33.933 31.700 0.373 0.000 1.081 637 L N 2.562 123.854 121.223 0.115 0.000 2.376 637 L HA 0.516 4.856 4.340 0.001 0.000 0.258 637 L C 0.100 177.064 176.870 0.157 0.000 1.013 637 L CA -1.164 53.712 54.840 0.061 0.000 0.822 637 L CB 2.263 44.393 42.059 0.119 0.000 1.388 637 L HN 0.308 nan 8.230 nan 0.000 0.413 638 F N 1.965 121.977 119.950 0.103 0.000 2.399 638 F HA 0.378 4.906 4.527 0.001 0.000 0.342 638 F C 0.443 176.259 175.800 0.028 0.000 1.106 638 F CA -0.693 57.319 58.000 0.020 0.000 1.196 638 F CB 1.185 40.183 39.000 -0.004 0.000 1.163 638 F HN 0.143 nan 8.300 nan 0.000 0.547 639 I N 3.455 124.094 120.570 0.114 0.000 2.385 639 I HA 0.124 4.294 4.170 0.001 0.000 0.294 639 I C 0.376 176.428 176.117 -0.110 0.000 0.988 639 I CA -0.401 60.821 61.300 -0.130 0.000 1.265 639 I CB 1.804 39.701 38.000 -0.172 0.000 1.388 639 I HN 0.437 nan 8.210 nan 0.000 0.480 640 V N 2.808 122.642 119.914 -0.132 0.000 3.644 640 V HA 0.026 4.147 4.120 0.001 0.000 0.267 640 V C 0.420 176.469 176.094 -0.074 0.000 1.277 640 V CA -0.036 62.221 62.300 -0.070 0.000 1.096 640 V CB -0.769 31.061 31.823 0.011 0.000 0.828 640 V HN 0.713 nan 8.190 nan 0.000 0.446 641 E N 2.943 123.088 120.200 -0.093 0.000 1.701 641 E HA -0.227 4.123 4.350 0.001 0.000 0.353 641 E C 0.936 177.504 176.600 -0.054 0.000 0.620 641 E CA 0.989 57.350 56.400 -0.066 0.000 1.322 641 E CB -0.132 29.525 29.700 -0.073 0.000 0.440 641 E HN 0.773 nan 8.360 nan 0.000 0.397 642 D N 2.228 122.610 120.400 -0.029 0.000 2.420 642 D HA -0.185 4.455 4.640 0.001 0.000 0.233 642 D C -0.350 175.926 176.300 -0.041 0.000 1.017 642 D CA 0.107 54.086 54.000 -0.035 0.000 0.951 642 D CB -0.084 40.722 40.800 0.009 0.000 0.877 642 D HN 0.189 nan 8.370 nan 0.000 0.528 643 D N 1.701 122.077 120.400 -0.040 0.000 2.821 643 D HA -0.034 4.606 4.640 0.001 0.000 0.224 643 D C -0.094 176.181 176.300 -0.041 0.000 1.071 643 D CA 0.661 54.642 54.000 -0.032 0.000 1.182 643 D CB -0.222 40.559 40.800 -0.031 0.000 1.161 643 D HN 0.297 nan 8.370 nan 0.000 0.449 644 E N 0.163 120.335 120.200 -0.046 0.000 2.331 644 E HA 0.063 4.414 4.350 0.001 0.000 0.243 644 E C 0.524 177.108 176.600 -0.026 0.000 0.925 644 E CA -0.224 56.145 56.400 -0.052 0.000 0.760 644 E CB 1.076 30.715 29.700 -0.102 0.000 1.254 644 E HN 0.076 nan 8.360 nan 0.000 0.419 645 S N 2.417 118.108 115.700 -0.014 0.000 2.595 645 S HA 0.016 4.487 4.470 0.001 0.000 0.235 645 S C 1.046 175.648 174.600 0.003 0.000 0.974 645 S CA 0.171 58.370 58.200 -0.001 0.000 0.942 645 S CB -0.137 63.062 63.200 -0.000 0.000 0.766 645 S HN 0.449 nan 8.310 nan 0.000 0.536 646 L N 1.385 122.606 121.223 -0.002 0.000 3.096 646 L HA 0.593 4.933 4.340 0.001 0.000 0.272 646 L C 0.894 177.777 176.870 0.021 0.000 1.311 646 L CA -0.177 54.667 54.840 0.007 0.000 0.943 646 L CB 0.261 42.320 42.059 -0.001 0.000 1.348 646 L HN 0.538 nan 8.230 nan 0.000 0.562 647 G N -0.935 107.889 108.800 0.040 0.000 2.366 647 G HA2 -0.049 3.911 3.960 0.001 0.000 0.190 647 G HA3 -0.049 3.911 3.960 0.001 0.000 0.190 647 G C -0.594 174.383 174.900 0.128 0.000 1.299 647 G CA -0.143 45.023 45.100 0.109 0.000 1.056 647 G HN 0.191 nan 8.290 nan 0.000 0.468 648 H N 0.662 119.741 119.070 0.016 0.000 3.584 648 H HA 0.712 5.268 4.556 0.001 0.000 0.154 648 H C 0.165 175.506 175.328 0.022 0.000 1.584 648 H CA 0.177 56.240 56.048 0.025 0.000 1.585 648 H CB -0.265 29.518 29.762 0.036 0.000 0.705 648 H HN 0.532 nan 8.280 nan 0.000 0.748 649 K N 0.152 120.477 120.400 -0.125 0.000 2.118 649 K HA 0.296 4.616 4.320 0.001 0.000 0.267 649 K C -0.905 175.489 176.600 -0.344 0.000 0.991 649 K CA -0.170 56.043 56.287 -0.123 0.000 0.916 649 K CB 0.853 33.406 32.500 0.088 0.000 1.041 649 K HN 0.607 nan 8.250 nan 0.000 0.455 650 E N 2.865 122.932 120.200 -0.222 0.000 2.378 650 E HA 0.199 4.549 4.350 0.001 0.000 0.283 650 E C -1.563 174.951 176.600 -0.144 0.000 0.979 650 E CA -0.524 55.747 56.400 -0.216 0.000 0.795 650 E CB 0.732 30.265 29.700 -0.278 0.000 1.221 650 E HN 0.490 nan 8.360 nan 0.000 0.428 651 L N 4.839 125.981 121.223 -0.136 0.000 2.640 651 L HA -0.014 4.327 4.340 0.001 0.000 0.280 651 L C 1.569 178.336 176.870 -0.172 0.000 1.229 651 L CA 0.412 55.156 54.840 -0.159 0.000 0.919 651 L CB 0.343 42.273 42.059 -0.215 0.000 1.168 651 L HN 0.657 nan 8.230 nan 0.000 0.496 652 K N 2.214 122.508 120.400 -0.176 0.000 2.147 652 K HA -0.057 4.263 4.320 0.001 0.000 0.205 652 K C 0.404 176.888 176.600 -0.193 0.000 1.049 652 K CA 0.762 56.954 56.287 -0.158 0.000 0.936 652 K CB 0.018 32.426 32.500 -0.154 0.000 0.722 652 K HN 0.395 nan 8.250 nan 0.000 0.446 653 V N 2.536 122.250 119.914 -0.333 0.000 2.775 653 V HA 0.069 4.189 4.120 0.001 0.000 0.299 653 V C 0.466 176.492 176.094 -0.113 0.000 1.062 653 V CA -0.100 61.964 62.300 -0.394 0.000 1.063 653 V CB 1.053 32.520 31.823 -0.594 0.000 0.994 653 V HN 0.215 nan 8.190 nan 0.000 0.483 654 R N 2.094 122.731 120.500 0.230 0.000 2.837 654 R HA 0.353 4.694 4.340 0.001 0.000 0.271 654 R C 0.608 176.965 176.300 0.095 0.000 0.993 654 R CA -1.079 55.090 56.100 0.115 0.000 0.931 654 R CB 1.081 31.434 30.300 0.088 0.000 1.206 654 R HN 0.617 nan 8.270 nan 0.000 0.474 655 K N 0.559 120.977 120.400 0.029 0.000 2.588 655 K HA -0.136 4.184 4.320 0.001 0.000 0.196 655 K C 1.331 177.946 176.600 0.026 0.000 1.044 655 K CA 1.777 58.082 56.287 0.030 0.000 0.934 655 K CB -0.217 32.292 32.500 0.015 0.000 0.773 655 K HN 0.739 nan 8.250 nan 0.000 0.489 656 G N -0.981 107.815 108.800 -0.006 0.000 2.486 656 G HA2 -0.137 3.823 3.960 0.001 0.000 0.210 656 G HA3 -0.137 3.823 3.960 0.001 0.000 0.210 656 G C 1.000 175.878 174.900 -0.035 0.000 1.168 656 G CA 0.026 45.085 45.100 -0.068 0.000 0.820 656 G HN 0.323 nan 8.290 nan 0.000 0.544 657 H N 0.732 119.837 119.070 0.058 0.000 2.353 657 H HA -0.065 4.491 4.556 0.001 0.000 0.298 657 H C 2.616 178.080 175.328 0.227 0.000 1.103 657 H CA 1.393 57.553 56.048 0.187 0.000 1.293 657 H CB -0.071 29.765 29.762 0.123 0.000 1.372 657 H HN 0.291 nan 8.280 nan 0.000 0.501 658 I N 0.648 121.364 120.570 0.243 0.000 2.076 658 I HA -0.267 3.903 4.170 0.001 0.000 0.237 658 I C 2.827 179.045 176.117 0.169 0.000 1.059 658 I CA 1.173 62.583 61.300 0.183 0.000 1.317 658 I CB -0.447 37.629 38.000 0.126 0.000 1.037 658 I HN 0.158 nan 8.210 nan 0.000 0.398 659 A N 0.082 122.971 122.820 0.114 0.000 2.131 659 A HA -0.266 4.055 4.320 0.001 0.000 0.220 659 A C 2.267 179.912 177.584 0.102 0.000 1.158 659 A CA 1.780 53.869 52.037 0.087 0.000 0.665 659 A CB -0.578 18.447 19.000 0.041 0.000 0.795 659 A HN 0.410 nan 8.150 nan 0.000 0.460 660 K N -0.918 119.562 120.400 0.133 0.000 2.418 660 K HA 0.223 4.543 4.320 0.001 0.000 0.195 660 K C 1.489 178.291 176.600 0.336 0.000 1.035 660 K CA 0.303 56.668 56.287 0.131 0.000 1.003 660 K CB -0.092 32.384 32.500 -0.040 0.000 0.793 660 K HN 0.508 nan 8.250 nan 0.000 0.494 661 L N -0.150 121.284 121.223 0.351 0.000 2.189 661 L HA 0.071 4.412 4.340 0.001 0.000 0.199 661 L C 2.146 179.153 176.870 0.228 0.000 1.074 661 L CA 0.430 55.457 54.840 0.312 0.000 0.783 661 L CB -0.115 42.080 42.059 0.226 0.000 0.955 661 L HN 0.154 nan 8.230 nan 0.000 0.460 662 M N -0.313 119.404 119.600 0.196 0.000 2.435 662 M HA -0.178 4.303 4.480 0.001 0.000 0.262 662 M C 2.213 178.619 176.300 0.176 0.000 1.065 662 M CA 1.369 56.773 55.300 0.174 0.000 1.076 662 M CB -0.454 32.231 32.600 0.142 0.000 1.403 662 M HN 0.327 nan 8.290 nan 0.000 0.454 663 A N 0.061 122.984 122.820 0.171 0.000 1.897 663 A HA -0.087 4.233 4.320 0.001 0.000 0.215 663 A C 2.143 179.848 177.584 0.202 0.000 1.181 663 A CA 1.794 53.931 52.037 0.168 0.000 0.620 663 A CB -0.837 18.238 19.000 0.125 0.000 0.821 663 A HN 0.428 nan 8.150 nan 0.000 0.443 664 T N -0.159 114.512 114.554 0.195 0.000 3.055 664 T HA -0.027 4.323 4.350 0.001 0.000 0.265 664 T C 1.557 176.354 174.700 0.162 0.000 1.111 664 T CA 1.131 63.336 62.100 0.176 0.000 1.118 664 T CB -0.066 68.918 68.868 0.194 0.000 0.909 664 T HN 0.572 nan 8.240 nan 0.000 0.501 665 E N 0.131 120.441 120.200 0.184 0.000 2.152 665 E HA -0.075 4.275 4.350 0.001 0.000 0.192 665 E C 1.637 178.341 176.600 0.174 0.000 0.983 665 E CA 0.634 57.135 56.400 0.169 0.000 0.818 665 E CB -0.111 29.697 29.700 0.180 0.000 0.758 665 E HN 0.513 nan 8.360 nan 0.000 0.467 666 Y N 1.645 121.987 120.300 0.069 0.000 2.439 666 Y HA -0.059 4.492 4.550 0.001 0.000 0.292 666 Y C 1.179 177.105 175.900 0.043 0.000 1.130 666 Y CA 1.040 59.171 58.100 0.051 0.000 1.254 666 Y CB 0.239 38.728 38.460 0.048 0.000 1.000 666 Y HN -0.092 nan 8.280 nan 0.000 0.554 667 Q N 1.539 121.328 119.800 -0.018 0.000 2.639 667 Q HA 0.082 4.422 4.340 0.001 0.000 0.301 667 Q C -0.805 175.146 176.000 -0.082 0.000 1.029 667 Q CA 0.139 55.888 55.803 -0.089 0.000 0.936 667 Q CB -0.070 28.675 28.738 0.012 0.000 1.354 667 Q HN 0.415 nan 8.270 nan 0.000 0.417 679 Y N 3.691 124.040 120.300 0.081 0.000 2.919 679 Y HA 0.369 4.919 4.550 0.001 0.000 0.341 679 Y C 0.424 176.392 175.900 0.113 0.000 1.045 679 Y CA -0.538 57.613 58.100 0.085 0.000 1.218 679 Y CB 0.405 38.914 38.460 0.080 0.000 1.137 679 Y HN 0.219 nan 8.280 nan 0.000 0.577 680 T N 0.651 115.242 114.554 0.063 0.000 3.133 680 T HA -0.009 4.342 4.350 0.001 0.000 0.329 680 T C 1.174 175.877 174.700 0.005 0.000 1.248 680 T CA -0.078 62.065 62.100 0.072 0.000 0.933 680 T CB 0.164 69.120 68.868 0.148 0.000 1.943 680 T HN 0.691 nan 8.240 nan 0.000 0.572 681 W N 0.089 121.362 121.300 -0.045 0.000 2.488 681 W HA 0.030 4.690 4.660 0.001 0.000 0.304 681 W C 2.406 178.873 176.519 -0.087 0.000 1.175 681 W CA 1.010 58.314 57.345 -0.067 0.000 1.365 681 W CB -0.781 28.686 29.460 0.012 0.000 1.131 681 W HN 0.623 nan 8.180 nan 0.000 0.520 682 S N 0.986 116.797 115.700 0.185 0.000 2.434 682 S HA -0.277 4.193 4.470 0.001 0.000 0.243 682 S C 2.014 176.557 174.600 -0.095 0.000 1.045 682 S CA 2.475 60.715 58.200 0.065 0.000 1.019 682 S CB -0.404 62.874 63.200 0.131 0.000 0.811 682 S HN 0.497 nan 8.310 nan 0.000 0.485 683 S N 1.264 116.894 115.700 -0.117 0.000 2.345 683 S HA 0.007 4.477 4.470 0.001 0.000 0.219 683 S C 1.738 176.196 174.600 -0.237 0.000 1.031 683 S CA 0.973 59.107 58.200 -0.110 0.000 0.984 683 S CB -0.728 62.456 63.200 -0.026 0.000 0.874 683 S HN 0.385 nan 8.310 nan 0.000 0.451 684 L N 1.164 122.119 121.223 -0.448 0.000 2.129 684 L HA -0.039 4.302 4.340 0.001 0.000 0.212 684 L C 2.475 179.052 176.870 -0.490 0.000 1.087 684 L CA 1.063 55.604 54.840 -0.498 0.000 0.757 684 L CB -0.957 40.708 42.059 -0.656 0.000 0.896 684 L HN 0.317 nan 8.230 nan 0.000 0.434 685 L N -0.416 120.467 121.223 -0.566 0.000 2.034 685 L HA -0.057 4.284 4.340 0.001 0.000 0.203 685 L C 2.055 178.758 176.870 -0.277 0.000 1.074 685 L CA 1.708 56.259 54.840 -0.483 0.000 0.748 685 L CB -0.798 40.943 42.059 -0.529 0.000 0.905 685 L HN 0.236 nan 8.230 nan 0.000 0.439 686 N N 0.385 118.969 118.700 -0.193 0.000 2.609 686 N HA -0.125 4.615 4.740 0.001 0.000 0.190 686 N C 0.525 175.988 175.510 -0.078 0.000 1.157 686 N CA 0.607 53.594 53.050 -0.105 0.000 0.918 686 N CB -0.071 38.386 38.487 -0.050 0.000 0.978 686 N HN 0.589 nan 8.380 nan 0.000 0.448 687 E N -0.051 120.087 120.200 -0.104 0.000 2.609 687 E HA 0.174 4.525 4.350 0.001 0.000 0.208 687 E C -0.122 176.416 176.600 -0.102 0.000 1.013 687 E CA -0.497 55.867 56.400 -0.059 0.000 1.093 687 E CB 0.023 29.724 29.700 0.000 0.000 1.129 687 E HN 0.175 nan 8.360 nan 0.000 0.450 688 G N 1.667 110.394 108.800 -0.122 0.000 2.266 688 G HA2 -0.247 3.713 3.960 0.001 0.000 0.269 688 G HA3 -0.247 3.713 3.960 0.001 0.000 0.269 688 G C 0.424 175.230 174.900 -0.156 0.000 0.863 688 G CA 0.649 45.673 45.100 -0.126 0.000 1.268 688 G HN 0.429 nan 8.290 nan 0.000 0.426 689 L N -0.953 120.144 121.223 -0.209 0.000 2.885 689 L HA 0.287 4.627 4.340 0.001 0.000 0.251 689 L C 0.412 177.186 176.870 -0.160 0.000 1.071 689 L CA 0.129 54.823 54.840 -0.243 0.000 0.956 689 L CB 0.626 42.458 42.059 -0.379 0.000 1.483 689 L HN 0.209 nan 8.230 nan 0.000 0.525 690 V N 0.267 120.059 119.914 -0.204 0.000 2.760 690 V HA 0.385 4.505 4.120 0.001 0.000 0.309 690 V C -0.954 175.022 176.094 -0.197 0.000 1.077 690 V CA -0.637 61.582 62.300 -0.136 0.000 0.910 690 V CB 2.751 34.413 31.823 -0.268 0.000 1.008 690 V HN 0.075 nan 8.190 nan 0.000 0.424 691 E N 1.846 122.020 120.200 -0.044 0.000 2.277 691 E HA 0.489 4.839 4.350 0.001 0.000 0.266 691 E C -1.547 175.094 176.600 0.069 0.000 0.901 691 E CA -0.808 55.559 56.400 -0.054 0.000 0.782 691 E CB 2.304 32.050 29.700 0.076 0.000 1.228 691 E HN 0.705 nan 8.360 nan 0.000 0.424 692 Y N 2.782 123.072 120.300 -0.018 0.000 2.650 692 Y HA 0.266 4.817 4.550 0.001 0.000 0.343 692 Y C 0.034 175.902 175.900 -0.053 0.000 1.078 692 Y CA -0.657 57.418 58.100 -0.043 0.000 1.356 692 Y CB 0.285 38.562 38.460 -0.305 0.000 1.204 692 Y HN 0.222 nan 8.280 nan 0.000 0.508 693 I N 5.002 125.680 120.570 0.180 0.000 2.291 693 I HA 0.034 4.204 4.170 0.001 0.000 0.292 693 I C 0.322 176.537 176.117 0.164 0.000 1.064 693 I CA -0.627 60.728 61.300 0.092 0.000 1.269 693 I CB 0.192 38.176 38.000 -0.025 0.000 1.418 693 I HN 0.608 nan 8.210 nan 0.000 0.485 694 D N 6.018 126.518 120.400 0.166 0.000 2.356 694 D HA 0.101 4.742 4.640 0.001 0.000 0.258 694 D C 1.072 177.477 176.300 0.175 0.000 1.279 694 D CA -0.334 53.791 54.000 0.209 0.000 1.016 694 D CB 0.931 41.850 40.800 0.198 0.000 1.107 694 D HN 0.432 nan 8.370 nan 0.000 0.544 695 A N -0.476 122.455 122.820 0.186 0.000 1.872 695 A HA -0.159 4.162 4.320 0.001 0.000 0.214 695 A C 2.079 179.802 177.584 0.232 0.000 1.187 695 A CA 1.904 54.072 52.037 0.217 0.000 0.614 695 A CB -0.929 18.227 19.000 0.261 0.000 0.826 695 A HN 0.661 nan 8.150 nan 0.000 0.442 696 E N 0.231 120.552 120.200 0.201 0.000 2.049 696 E HA -0.245 4.106 4.350 0.001 0.000 0.198 696 E C 1.936 178.612 176.600 0.127 0.000 1.007 696 E CA 1.999 58.493 56.400 0.157 0.000 0.809 696 E CB -0.284 29.515 29.700 0.165 0.000 0.749 696 E HN 0.699 nan 8.360 nan 0.000 0.450 697 E N -0.171 120.095 120.200 0.110 0.000 2.150 697 E HA -0.211 4.139 4.350 0.001 0.000 0.193 697 E C 1.928 178.560 176.600 0.053 0.000 0.985 697 E CA 0.944 57.383 56.400 0.066 0.000 0.814 697 E CB -0.113 29.616 29.700 0.049 0.000 0.752 697 E HN 0.382 nan 8.360 nan 0.000 0.466 698 E N 0.398 120.642 120.200 0.073 0.000 2.209 698 E HA -0.247 4.103 4.350 0.001 0.000 0.196 698 E C 1.778 178.411 176.600 0.055 0.000 0.993 698 E CA 0.858 57.289 56.400 0.052 0.000 0.819 698 E CB 0.127 29.885 29.700 0.096 0.000 0.745 698 E HN 0.198 nan 8.360 nan 0.000 0.477 699 E N 0.463 120.718 120.200 0.092 0.000 2.058 699 E HA -0.143 4.207 4.350 0.001 0.000 0.194 699 E C 1.237 177.869 176.600 0.053 0.000 0.997 699 E CA 1.434 57.891 56.400 0.094 0.000 0.801 699 E CB -0.144 29.636 29.700 0.133 0.000 0.746 699 E HN 0.236 nan 8.360 nan 0.000 0.450 700 S N 0.628 116.356 115.700 0.046 0.000 3.266 700 S HA 0.460 4.931 4.470 0.001 0.000 0.209 700 S C 0.568 175.192 174.600 0.040 0.000 1.409 700 S CA -0.609 57.613 58.200 0.036 0.000 1.179 700 S CB -0.982 62.239 63.200 0.036 0.000 1.218 700 S HN 0.293 nan 8.310 nan 0.000 0.514 701 I N -2.447 118.143 120.570 0.033 0.000 3.176 701 I HA 0.759 4.930 4.170 0.001 0.000 0.311 701 I C -2.169 173.970 176.117 0.036 0.000 1.373 701 I CA -1.573 59.764 61.300 0.061 0.000 0.938 701 I CB 1.438 39.470 38.000 0.054 0.000 1.322 701 I HN 0.219 nan 8.210 nan 0.000 0.499 702 L N 2.617 123.881 121.223 0.069 0.000 2.301 702 L HA 0.802 5.143 4.340 0.001 0.000 0.264 702 L C -1.462 175.483 176.870 0.124 0.000 1.016 702 L CA -0.717 54.130 54.840 0.011 0.000 0.821 702 L CB 1.976 43.963 42.059 -0.119 0.000 1.346 702 L HN 0.641 nan 8.230 nan 0.000 0.429 703 I N 2.315 122.961 120.570 0.127 0.000 2.644 703 I HA 0.624 4.795 4.170 0.001 0.000 0.291 703 I C -0.701 175.606 176.117 0.316 0.000 1.180 703 I CA -0.839 60.593 61.300 0.219 0.000 1.040 703 I CB 2.015 40.075 38.000 0.099 0.000 1.255 703 I HN 0.766 nan 8.210 nan 0.000 0.422 704 A N 4.985 128.020 122.820 0.359 0.000 2.301 704 A HA 0.581 4.902 4.320 0.001 0.000 0.312 704 A C 0.490 178.118 177.584 0.072 0.000 1.182 704 A CA -0.417 51.736 52.037 0.193 0.000 0.826 704 A CB 1.196 20.069 19.000 -0.213 0.000 1.134 704 A HN 0.801 nan 8.150 nan 0.000 0.501 705 M N 1.226 120.843 119.600 0.028 0.000 2.226 705 M HA -0.043 4.438 4.480 0.001 0.000 0.261 705 M C 1.025 177.312 176.300 -0.021 0.000 1.095 705 M CA 1.888 57.181 55.300 -0.012 0.000 1.100 705 M CB -0.586 31.983 32.600 -0.052 0.000 1.240 705 M HN 0.770 nan 8.290 nan 0.000 0.444 706 Q N 0.844 120.621 119.800 -0.039 0.000 2.293 706 Q HA 0.142 4.482 4.340 0.001 0.000 0.251 706 Q C -1.744 174.239 176.000 -0.027 0.000 0.930 706 Q CA -1.534 54.258 55.803 -0.019 0.000 0.893 706 Q CB 0.657 29.382 28.738 -0.021 0.000 1.215 706 Q HN 0.278 nan 8.270 nan 0.000 0.425 707 P HA -0.257 nan 4.420 nan 0.000 0.215 707 P C 0.056 177.324 177.300 -0.053 0.000 1.157 707 P CA 1.526 64.635 63.100 0.015 0.000 0.863 707 P CB 0.299 32.045 31.700 0.076 0.000 0.787 708 E N -0.338 119.838 120.200 -0.041 0.000 3.994 708 E HA -0.052 4.299 4.350 0.001 0.000 0.569 708 E C 1.032 177.557 176.600 -0.126 0.000 0.320 708 E CA -0.459 55.901 56.400 -0.066 0.000 3.540 708 E CB -0.903 28.778 29.700 -0.032 0.000 2.366 708 E HN -0.122 nan 8.360 nan 0.000 0.353 709 D N 0.324 120.644 120.400 -0.132 0.000 4.253 709 D HA -0.283 4.357 4.640 0.001 0.000 0.384 709 D C 1.546 177.620 176.300 -0.376 0.000 1.474 709 D CA 2.504 56.381 54.000 -0.206 0.000 1.346 709 D CB -0.911 39.818 40.800 -0.118 0.000 0.619 709 D HN 0.385 nan 8.370 nan 0.000 0.901 710 L N 0.918 121.971 121.223 -0.284 0.000 2.798 710 L HA -0.020 4.320 4.340 0.001 0.000 0.254 710 L C 1.668 178.299 176.870 -0.398 0.000 1.176 710 L CA 0.408 55.064 54.840 -0.307 0.000 0.991 710 L CB -0.179 41.726 42.059 -0.257 0.000 1.225 710 L HN 0.106 nan 8.230 nan 0.000 0.420 711 E N -0.659 119.332 120.200 -0.348 0.000 3.441 711 E HA 0.198 4.548 4.350 0.001 0.000 0.195 711 E C -1.538 174.997 176.600 -0.109 0.000 1.172 711 E CA -0.140 56.158 56.400 -0.170 0.000 1.457 711 E CB -0.905 28.748 29.700 -0.078 0.000 1.388 711 E HN 0.219 nan 8.360 nan 0.000 0.551 712 P HA -0.005 nan 4.420 nan 0.000 0.272 712 P C 0.054 177.287 177.300 -0.112 0.000 1.239 712 P CA 0.355 63.357 63.100 -0.163 0.000 0.807 712 P CB 0.563 32.195 31.700 -0.114 0.000 0.951 713 A N 0.105 122.874 122.820 -0.085 0.000 2.645 713 A HA 0.218 4.538 4.320 0.001 0.000 0.245 713 A C 0.245 177.902 177.584 0.122 0.000 1.758 713 A CA 0.066 52.112 52.037 0.016 0.000 0.850 713 A CB -0.278 18.701 19.000 -0.036 0.000 1.656 713 A HN 0.673 nan 8.150 nan 0.000 0.641 714 E N -1.610 118.640 120.200 0.084 0.000 2.361 714 E HA 0.508 4.859 4.350 0.001 0.000 0.270 714 E C -0.697 175.930 176.600 0.045 0.000 0.911 714 E CA -0.439 56.013 56.400 0.086 0.000 0.818 714 E CB 1.209 30.965 29.700 0.094 0.000 1.332 714 E HN 0.879 nan 8.360 nan 0.000 0.402 723 V N 3.267 123.199 119.914 0.029 0.000 2.509 723 V HA 0.212 4.333 4.120 0.001 0.000 0.284 723 V C 0.258 176.371 176.094 0.032 0.000 1.047 723 V CA -0.461 61.858 62.300 0.032 0.000 0.952 723 V CB 1.502 33.345 31.823 0.034 0.000 0.988 723 V HN 0.194 nan 8.190 nan 0.000 0.469 724 D N 6.694 127.115 120.400 0.035 0.000 2.531 724 D HA 0.027 4.668 4.640 0.001 0.000 0.239 724 D C -1.233 175.088 176.300 0.035 0.000 1.144 724 D CA -0.570 53.451 54.000 0.036 0.000 0.869 724 D CB 1.672 42.498 40.800 0.042 0.000 1.160 724 D HN 0.414 nan 8.370 nan 0.000 0.484 725 P HA 0.075 nan 4.420 nan 0.000 0.249 725 P C 0.359 177.678 177.300 0.032 0.000 1.229 725 P CA 0.154 63.271 63.100 0.029 0.000 0.788 725 P CB 0.624 32.339 31.700 0.025 0.000 1.072 726 A N -0.183 122.658 122.820 0.036 0.000 2.108 726 A HA 0.143 4.464 4.320 0.001 0.000 0.206 726 A C 1.376 178.989 177.584 0.047 0.000 1.212 726 A CA 0.227 52.287 52.037 0.038 0.000 0.843 726 A CB -0.171 18.851 19.000 0.037 0.000 0.902 726 A HN 0.059 nan 8.150 nan 0.000 0.477 727 K N 0.557 120.988 120.400 0.052 0.000 2.181 727 K HA 0.154 4.474 4.320 0.001 0.000 0.239 727 K C 0.982 177.617 176.600 0.059 0.000 1.073 727 K CA -0.001 56.324 56.287 0.062 0.000 0.839 727 K CB 0.233 32.771 32.500 0.063 0.000 1.116 727 K HN 0.557 nan 8.250 nan 0.000 0.518 728 R N 0.090 120.628 120.500 0.064 0.000 2.221 728 R HA 0.375 4.716 4.340 0.001 0.000 0.157 728 R C 0.109 176.437 176.300 0.046 0.000 0.876 728 R CA -0.325 55.807 56.100 0.054 0.000 1.500 728 R CB -0.003 30.331 30.300 0.056 0.000 1.353 728 R HN 0.425 nan 8.270 nan 0.000 0.598 729 I N 1.102 121.697 120.570 0.042 0.000 2.605 729 I HA 0.289 4.459 4.170 0.001 0.000 0.276 729 I C -0.785 175.353 176.117 0.035 0.000 1.161 729 I CA -0.456 60.867 61.300 0.038 0.000 1.064 729 I CB 1.748 39.769 38.000 0.034 0.000 1.238 729 I HN 0.484 nan 8.210 nan 0.000 0.487 730 R N 2.883 123.403 120.500 0.034 0.000 2.441 730 R HA 0.456 4.797 4.340 0.001 0.000 0.284 730 R C 0.699 177.015 176.300 0.026 0.000 1.070 730 R CA -0.441 55.675 56.100 0.026 0.000 1.047 730 R CB 1.759 32.071 30.300 0.021 0.000 1.016 730 R HN 0.287 nan 8.270 nan 0.000 0.477 731 V N 1.077 121.004 119.914 0.022 0.000 2.175 731 V HA -0.108 4.012 4.120 0.001 0.000 0.125 731 V C 0.767 176.861 176.094 -0.000 0.000 0.740 731 V CA 0.829 63.144 62.300 0.025 0.000 1.325 731 V CB -0.066 31.775 31.823 0.029 0.000 0.794 731 V HN 0.775 nan 8.190 nan 0.000 0.417 732 S N -1.308 114.353 115.700 -0.065 0.000 2.840 732 S HA 0.463 4.934 4.470 0.001 0.000 0.307 732 S C -0.623 173.911 174.600 -0.110 0.000 1.180 732 S CA -0.367 57.718 58.200 -0.191 0.000 0.846 732 S CB 1.292 64.019 63.200 -0.789 0.000 1.233 732 S HN 0.845 nan 8.310 nan 0.000 0.548 733 H N 0.639 119.520 119.070 -0.315 0.000 2.505 733 H HA 0.351 4.908 4.556 0.001 0.000 0.260 733 H C -0.706 174.641 175.328 0.031 0.000 1.232 733 H CA -0.451 55.569 56.048 -0.045 0.000 0.991 733 H CB -1.030 28.701 29.762 -0.051 0.000 1.729 733 H HN 0.456 nan 8.280 nan 0.000 0.561 734 H N 1.668 120.769 119.070 0.052 0.000 3.319 734 H HA 0.562 5.118 4.556 0.001 0.000 0.213 734 H C 0.246 175.588 175.328 0.024 0.000 1.782 734 H CA 0.512 56.553 56.048 -0.012 0.000 1.339 734 H CB -0.637 29.104 29.762 -0.036 0.000 1.651 734 H HN 0.758 nan 8.280 nan 0.000 0.622 735 A N -0.466 122.470 122.820 0.194 0.000 2.549 735 A HA 0.454 4.774 4.320 0.001 0.000 0.291 735 A C -0.061 177.671 177.584 0.246 0.000 1.034 735 A CA -0.685 51.393 52.037 0.068 0.000 0.655 735 A CB 0.730 19.598 19.000 -0.219 0.000 1.299 735 A HN 0.178 nan 8.150 nan 0.000 0.427 736 T N 1.093 115.728 114.554 0.135 0.000 3.672 736 T HA 0.247 4.597 4.350 0.001 0.000 0.296 736 T C 0.454 175.255 174.700 0.168 0.000 0.979 736 T CA 0.669 62.937 62.100 0.280 0.000 1.013 736 T CB -0.158 68.836 68.868 0.209 0.000 1.184 736 T HN 0.814 nan 8.240 nan 0.000 0.477 737 T N -0.316 114.231 114.554 -0.011 0.000 3.023 737 T HA 0.287 4.638 4.350 0.001 0.000 0.253 737 T C 0.577 175.275 174.700 -0.003 0.000 1.038 737 T CA -0.428 61.651 62.100 -0.034 0.000 0.962 737 T CB -0.342 68.462 68.868 -0.105 0.000 1.018 737 T HN 0.331 nan 8.240 nan 0.000 0.521 738 F N 4.210 124.190 119.950 0.049 0.000 2.374 738 F HA -0.046 4.482 4.527 0.001 0.000 0.405 738 F C 2.109 177.930 175.800 0.034 0.000 0.976 738 F CA 0.198 58.230 58.000 0.053 0.000 1.037 738 F CB -0.462 38.572 39.000 0.056 0.000 0.888 738 F HN 0.197 nan 8.300 nan 0.000 0.519 739 T N -0.391 114.281 114.554 0.198 0.000 2.851 739 T HA 0.010 4.360 4.350 0.001 0.000 0.262 739 T C 0.395 175.024 174.700 -0.120 0.000 1.043 739 T CA 0.939 63.083 62.100 0.072 0.000 1.140 739 T CB -0.178 68.825 68.868 0.225 0.000 0.872 739 T HN 0.523 nan 8.240 nan 0.000 0.446 740 H N -1.138 118.021 119.070 0.148 0.000 2.906 740 H HA 0.785 5.342 4.556 0.001 0.000 0.337 740 H C -1.059 174.373 175.328 0.173 0.000 1.257 740 H CA -1.249 54.887 56.048 0.146 0.000 1.192 740 H CB 1.452 31.284 29.762 0.116 0.000 1.912 740 H HN 0.381 nan 8.280 nan 0.000 0.573 741 C N 0.523 120.009 119.300 0.311 0.000 2.985 741 C HA 0.431 4.891 4.460 0.001 0.000 0.314 741 C C -0.701 174.362 174.990 0.123 0.000 1.215 741 C CA -0.491 58.658 59.018 0.219 0.000 1.414 741 C CB 1.057 28.927 27.740 0.217 0.000 1.842 741 C HN 0.918 nan 8.230 nan 0.000 0.477 742 E N 3.110 123.349 120.200 0.064 0.000 2.324 742 E HA 0.203 4.553 4.350 0.001 0.000 0.271 742 E C 1.339 177.840 176.600 -0.166 0.000 1.028 742 E CA -0.158 56.229 56.400 -0.022 0.000 0.890 742 E CB 0.449 30.184 29.700 0.059 0.000 1.004 742 E HN 0.486 nan 8.360 nan 0.000 0.431 743 I N 2.520 122.856 120.570 -0.389 0.000 2.113 743 I HA -0.220 3.950 4.170 0.001 0.000 0.242 743 I C 0.869 176.889 176.117 -0.161 0.000 1.064 743 I CA 1.750 62.742 61.300 -0.514 0.000 1.320 743 I CB -1.316 36.452 38.000 -0.387 0.000 1.028 743 I HN 0.613 nan 8.210 nan 0.000 0.406 744 H N -0.299 118.634 119.070 -0.228 0.000 3.121 744 H HA 0.243 4.799 4.556 0.001 0.000 0.337 744 H C -2.182 173.118 175.328 -0.046 0.000 1.198 744 H CA -0.965 54.964 56.048 -0.198 0.000 1.274 744 H CB 1.936 31.415 29.762 -0.472 0.000 1.954 744 H HN -0.299 nan 8.280 nan 0.000 0.531 745 P HA -0.136 nan 4.420 nan 0.000 0.217 745 P C 1.077 178.437 177.300 0.100 0.000 1.151 745 P CA 1.715 64.701 63.100 -0.190 0.000 0.828 745 P CB 0.079 31.466 31.700 -0.522 0.000 0.788 746 S N -1.274 114.616 115.700 0.318 0.000 2.559 746 S HA -0.093 4.377 4.470 0.001 0.000 0.250 746 S C 1.545 176.298 174.600 0.254 0.000 0.977 746 S CA 0.774 59.246 58.200 0.453 0.000 0.958 746 S CB -1.068 62.489 63.200 0.595 0.000 0.751 746 S HN -0.054 nan 8.310 nan 0.000 0.534 747 M N 1.216 120.906 119.600 0.151 0.000 2.495 747 M HA 0.340 4.820 4.480 0.001 0.000 0.237 747 M C 1.613 177.884 176.300 -0.049 0.000 1.131 747 M CA -0.090 55.258 55.300 0.080 0.000 1.032 747 M CB -0.996 31.654 32.600 0.083 0.000 1.513 747 M HN 0.568 nan 8.290 nan 0.000 0.488 748 I N -1.914 118.555 120.570 -0.169 0.000 2.546 748 I HA -0.076 4.094 4.170 0.001 0.000 0.255 748 I C 0.990 176.980 176.117 -0.212 0.000 1.163 748 I CA 0.332 61.404 61.300 -0.381 0.000 1.457 748 I CB -0.549 36.998 38.000 -0.754 0.000 1.092 748 I HN 0.007 nan 8.210 nan 0.000 0.434 749 L N 1.429 122.590 121.223 -0.103 0.000 2.475 749 L HA 0.480 4.820 4.340 0.001 0.000 0.250 749 L C 0.721 177.554 176.870 -0.063 0.000 1.224 749 L CA -0.113 54.682 54.840 -0.074 0.000 0.821 749 L CB 0.036 42.069 42.059 -0.045 0.000 1.141 749 L HN 0.180 nan 8.230 nan 0.000 0.494 750 G N -1.084 107.675 108.800 -0.069 0.000 2.630 750 G HA2 0.465 4.425 3.960 0.001 0.000 0.296 750 G HA3 0.465 4.425 3.960 0.001 0.000 0.296 750 G C 0.675 175.527 174.900 -0.081 0.000 1.285 750 G CA -0.570 44.489 45.100 -0.070 0.000 0.958 750 G HN 0.394 nan 8.290 nan 0.000 0.479 751 V N 1.273 121.132 119.914 -0.092 0.000 2.241 751 V HA -0.387 3.734 4.120 0.001 0.000 0.256 751 V C 3.344 179.368 176.094 -0.117 0.000 1.060 751 V CA 3.400 65.635 62.300 -0.109 0.000 1.065 751 V CB -1.578 30.178 31.823 -0.111 0.000 0.685 751 V HN 1.000 nan 8.190 nan 0.000 0.467 752 A N 0.153 122.911 122.820 -0.103 0.000 1.852 752 A HA -0.272 4.048 4.320 0.001 0.000 0.217 752 A C 2.482 179.995 177.584 -0.119 0.000 1.215 752 A CA 3.750 55.724 52.037 -0.105 0.000 0.641 752 A CB -1.433 17.520 19.000 -0.078 0.000 0.838 752 A HN 0.967 nan 8.150 nan 0.000 0.450 753 A N -0.860 121.902 122.820 -0.097 0.000 1.915 753 A HA -0.225 4.096 4.320 0.001 0.000 0.220 753 A C 2.377 179.891 177.584 -0.116 0.000 1.198 753 A CA 2.646 54.626 52.037 -0.095 0.000 0.647 753 A CB -1.321 17.633 19.000 -0.077 0.000 0.825 753 A HN 0.618 nan 8.150 nan 0.000 0.456 754 S N -0.410 115.223 115.700 -0.112 0.000 2.461 754 S HA -0.167 4.303 4.470 0.001 0.000 0.246 754 S C 1.505 176.001 174.600 -0.173 0.000 1.007 754 S CA 1.623 59.755 58.200 -0.113 0.000 0.976 754 S CB -0.617 62.528 63.200 -0.091 0.000 0.763 754 S HN 0.619 nan 8.310 nan 0.000 0.508 755 I N 0.341 120.771 120.570 -0.233 0.000 3.030 755 I HA 0.130 4.301 4.170 0.001 0.000 0.270 755 I C 0.361 176.327 176.117 -0.250 0.000 1.211 755 I CA 0.194 61.296 61.300 -0.331 0.000 1.479 755 I CB -0.191 37.527 38.000 -0.471 0.000 1.105 755 I HN 0.116 nan 8.210 nan 0.000 0.447 756 I N 4.936 125.383 120.570 -0.206 0.000 2.587 756 I HA 0.069 4.239 4.170 0.001 0.000 0.284 756 I C -1.974 174.031 176.117 -0.187 0.000 1.134 756 I CA -1.454 59.722 61.300 -0.206 0.000 1.410 756 I CB 0.064 37.970 38.000 -0.156 0.000 1.392 756 I HN -0.130 nan 8.210 nan 0.000 0.545 757 P HA 0.125 nan 4.420 nan 0.000 0.284 757 P C -0.118 177.142 177.300 -0.067 0.000 1.253 757 P CA -0.248 62.691 63.100 -0.268 0.000 0.800 757 P CB 0.527 32.069 31.700 -0.263 0.000 0.961 758 F N 0.637 120.638 119.950 0.085 0.000 3.019 758 F HA -0.184 4.343 4.527 0.001 0.000 0.259 758 F C -0.711 175.187 175.800 0.163 0.000 0.976 758 F CA -0.349 57.750 58.000 0.165 0.000 0.876 758 F CB -1.747 37.351 39.000 0.163 0.000 0.784 758 F HN 0.367 nan 8.300 nan 0.000 0.786 759 P HA -0.202 nan 4.420 nan 0.000 0.224 759 P C 0.646 177.978 177.300 0.054 0.000 1.142 759 P CA 1.928 65.069 63.100 0.068 0.000 0.778 759 P CB -0.084 31.584 31.700 -0.053 0.000 0.764 760 D N -1.497 118.927 120.400 0.039 0.000 2.538 760 D HA -0.033 4.607 4.640 0.001 0.000 0.234 760 D C 0.486 176.675 176.300 -0.185 0.000 1.191 760 D CA -0.125 53.840 54.000 -0.057 0.000 0.828 760 D CB -0.629 40.104 40.800 -0.112 0.000 0.981 760 D HN 0.366 nan 8.370 nan 0.000 0.490 761 H N -0.273 118.855 119.070 0.097 0.000 3.233 761 H HA 0.204 4.760 4.556 0.001 0.000 0.252 761 H C -0.339 175.028 175.328 0.064 0.000 1.175 761 H CA -0.420 55.672 56.048 0.074 0.000 1.018 761 H CB 0.685 30.491 29.762 0.074 0.000 2.006 761 H HN 0.070 nan 8.280 nan 0.000 0.714 762 N N 1.094 119.882 118.700 0.146 0.000 2.312 762 N HA 0.083 4.824 4.740 0.001 0.000 0.296 762 N C -0.217 175.321 175.510 0.046 0.000 1.193 762 N CA -0.555 52.556 53.050 0.101 0.000 0.773 762 N CB 2.358 40.924 38.487 0.132 0.000 1.435 762 N HN 0.196 nan 8.380 nan 0.000 0.484 763 Q N 0.804 120.613 119.800 0.015 0.000 2.271 763 Q HA 0.026 4.366 4.340 0.001 0.000 0.273 763 Q C 1.084 177.069 176.000 -0.025 0.000 1.051 763 Q CA 0.228 56.024 55.803 -0.012 0.000 0.901 763 Q CB 0.556 29.272 28.738 -0.037 0.000 1.174 763 Q HN 0.718 nan 8.270 nan 0.000 0.385 764 S N 5.171 120.863 115.700 -0.014 0.000 2.513 764 S HA -0.224 4.246 4.470 0.001 0.000 0.311 764 S C -0.761 173.815 174.600 -0.041 0.000 1.227 764 S CA 2.280 60.471 58.200 -0.015 0.000 1.234 764 S CB -0.952 62.242 63.200 -0.010 0.000 1.244 764 S HN 0.883 nan 8.310 nan 0.000 0.445 765 P HA -0.082 nan 4.420 nan 0.000 0.218 765 P C 1.247 178.409 177.300 -0.231 0.000 1.149 765 P CA 1.026 64.039 63.100 -0.145 0.000 0.817 765 P CB -0.273 31.306 31.700 -0.200 0.000 0.785 766 R N 0.151 120.524 120.500 -0.211 0.000 2.139 766 R HA -0.095 4.245 4.340 0.001 0.000 0.243 766 R C 1.907 178.185 176.300 -0.037 0.000 1.145 766 R CA 0.931 56.930 56.100 -0.168 0.000 0.976 766 R CB -1.302 28.964 30.300 -0.057 0.000 0.866 766 R HN 0.354 nan 8.270 nan 0.000 0.449 767 N N -0.401 118.291 118.700 -0.014 0.000 2.300 767 N HA -0.058 4.682 4.740 0.001 0.000 0.179 767 N C 1.351 176.878 175.510 0.029 0.000 1.016 767 N CA 1.243 54.298 53.050 0.008 0.000 0.876 767 N CB -0.121 38.366 38.487 0.000 0.000 0.979 767 N HN 0.188 nan 8.380 nan 0.000 0.432 768 T N 0.209 114.790 114.554 0.044 0.000 2.962 768 T HA -0.024 4.327 4.350 0.001 0.000 0.270 768 T C 1.649 176.490 174.700 0.234 0.000 1.088 768 T CA 0.771 62.933 62.100 0.103 0.000 1.127 768 T CB -0.146 68.787 68.868 0.108 0.000 0.883 768 T HN 0.369 nan 8.240 nan 0.000 0.493 769 Y N 0.954 121.240 120.300 -0.024 0.000 2.177 769 Y HA -0.076 4.474 4.550 0.001 0.000 0.291 769 Y C 2.910 178.790 175.900 -0.033 0.000 1.117 769 Y CA 0.333 58.419 58.100 -0.024 0.000 1.114 769 Y CB -0.130 38.323 38.460 -0.011 0.000 1.017 769 Y HN 0.062 nan 8.280 nan 0.000 0.505 770 Q N 0.841 120.730 119.800 0.149 0.000 2.458 770 Q HA -0.143 4.197 4.340 0.001 0.000 0.215 770 Q C 1.031 177.028 176.000 -0.005 0.000 0.989 770 Q CA 1.440 57.264 55.803 0.035 0.000 0.895 770 Q CB -0.396 28.325 28.738 -0.028 0.000 0.934 770 Q HN 0.118 nan 8.270 nan 0.000 0.475 771 S N -1.073 114.634 115.700 0.013 0.000 2.685 771 S HA 0.522 4.992 4.470 0.001 0.000 0.240 771 S C 0.495 175.080 174.600 -0.024 0.000 0.967 771 S CA 0.197 58.387 58.200 -0.017 0.000 1.009 771 S CB 0.537 63.729 63.200 -0.014 0.000 0.776 771 S HN 0.501 nan 8.310 nan 0.000 0.467 772 A N 0.333 123.136 122.820 -0.028 0.000 1.827 772 A HA 0.374 4.694 4.320 0.001 0.000 0.196 772 A C 1.442 178.990 177.584 -0.061 0.000 1.833 772 A CA -0.097 51.906 52.037 -0.056 0.000 1.363 772 A CB -0.165 18.778 19.000 -0.094 0.000 1.439 772 A HN 0.401 nan 8.150 nan 0.000 0.391 773 M N 0.284 119.854 119.600 -0.050 0.000 2.388 773 M HA 0.066 4.547 4.480 0.001 0.000 0.265 773 M C 2.106 178.379 176.300 -0.045 0.000 1.088 773 M CA 1.213 56.482 55.300 -0.052 0.000 1.134 773 M CB -0.201 32.381 32.600 -0.030 0.000 1.384 773 M HN 0.474 nan 8.290 nan 0.000 0.447 774 G N 1.397 110.178 108.800 -0.033 0.000 2.462 774 G HA2 -0.197 3.763 3.960 0.001 0.000 0.220 774 G HA3 -0.197 3.763 3.960 0.001 0.000 0.220 774 G C 1.456 176.354 174.900 -0.002 0.000 1.121 774 G CA 0.691 45.780 45.100 -0.019 0.000 0.758 774 G HN 0.446 nan 8.290 nan 0.000 0.559 775 K N -0.116 120.276 120.400 -0.013 0.000 2.458 775 K HA 0.137 4.457 4.320 0.001 0.000 0.194 775 K C 1.265 177.853 176.600 -0.020 0.000 1.024 775 K CA 0.234 56.538 56.287 0.027 0.000 1.108 775 K CB 0.358 32.869 32.500 0.017 0.000 0.846 775 K HN 0.354 nan 8.250 nan 0.000 0.518 776 Q N -0.265 119.471 119.800 -0.106 0.000 2.093 776 Q HA 0.249 4.589 4.340 0.001 0.000 0.217 776 Q C -0.241 175.633 176.000 -0.210 0.000 0.785 776 Q CA -0.388 55.264 55.803 -0.253 0.000 1.038 776 Q CB 1.489 30.078 28.738 -0.248 0.000 1.190 776 Q HN 0.173 nan 8.270 nan 0.000 0.468 777 A N 0.884 123.647 122.820 -0.095 0.000 2.246 777 A HA 0.702 5.022 4.320 0.001 0.000 0.291 777 A C -0.224 177.344 177.584 -0.027 0.000 1.103 777 A CA -0.271 51.732 52.037 -0.056 0.000 0.844 777 A CB 0.635 19.641 19.000 0.009 0.000 1.136 777 A HN 0.208 nan 8.150 nan 0.000 0.500 778 M N -0.483 119.121 119.600 0.007 0.000 2.578 778 M HA 0.582 5.062 4.480 0.001 0.000 0.321 778 M C 0.581 176.936 176.300 0.092 0.000 1.182 778 M CA 0.147 55.471 55.300 0.040 0.000 0.965 778 M CB 2.275 34.889 32.600 0.023 0.000 1.694 778 M HN 1.015 nan 8.290 nan 0.000 0.461 779 G N 0.783 109.645 108.800 0.102 0.000 2.825 779 G HA2 0.434 4.394 3.960 0.001 0.000 0.100 779 G HA3 0.434 4.394 3.960 0.001 0.000 0.100 779 G C -1.731 173.208 174.900 0.065 0.000 1.195 779 G CA -0.380 44.773 45.100 0.088 0.000 1.317 779 G HN 0.507 nan 8.290 nan 0.000 0.632 780 V N 2.224 122.165 119.914 0.045 0.000 2.443 780 V HA 0.310 4.431 4.120 0.001 0.000 0.272 780 V C 0.690 176.776 176.094 -0.014 0.000 1.002 780 V CA -0.305 61.974 62.300 -0.035 0.000 0.840 780 V CB 0.381 32.148 31.823 -0.093 0.000 1.042 780 V HN 0.848 nan 8.190 nan 0.000 0.446 781 F N 3.197 123.174 119.950 0.044 0.000 2.216 781 F HA 0.325 4.852 4.527 0.001 0.000 0.300 781 F C 0.387 176.283 175.800 0.159 0.000 1.085 781 F CA 0.984 59.052 58.000 0.112 0.000 1.326 781 F CB -0.041 38.994 39.000 0.058 0.000 1.027 781 F HN 0.254 nan 8.300 nan 0.000 0.497 782 L N -0.876 119.893 121.223 -0.757 0.000 2.630 782 L HA 0.253 4.593 4.340 0.001 0.000 0.258 782 L C 0.771 177.390 176.870 -0.418 0.000 1.072 782 L CA -0.137 54.425 54.840 -0.462 0.000 0.885 782 L CB 2.065 43.899 42.059 -0.376 0.000 1.502 782 L HN 0.005 nan 8.230 nan 0.000 0.406 783 T N -4.228 110.170 114.554 -0.260 0.000 3.022 783 T HA 0.009 4.360 4.350 0.001 0.000 0.250 783 T C 0.820 175.310 174.700 -0.351 0.000 1.060 783 T CA 0.193 62.150 62.100 -0.239 0.000 1.013 783 T CB -0.255 68.523 68.868 -0.150 0.000 0.982 783 T HN 0.621 nan 8.240 nan 0.000 0.508 784 N N 1.352 119.869 118.700 -0.305 0.000 2.313 784 N HA -0.018 4.723 4.740 0.001 0.000 0.207 784 N C 1.336 176.707 175.510 -0.231 0.000 1.141 784 N CA -0.259 52.626 53.050 -0.275 0.000 0.830 784 N CB -0.660 37.717 38.487 -0.184 0.000 1.008 784 N HN 0.656 nan 8.380 nan 0.000 0.481 785 Y N 0.642 120.771 120.300 -0.285 0.000 2.224 785 Y HA -0.018 4.532 4.550 0.001 0.000 0.289 785 Y C 1.759 177.552 175.900 -0.178 0.000 1.146 785 Y CA 1.069 59.026 58.100 -0.239 0.000 1.182 785 Y CB -1.213 37.010 38.460 -0.396 0.000 0.983 785 Y HN -0.006 nan 8.280 nan 0.000 0.524 786 N N 0.382 118.712 118.700 -0.617 0.000 2.430 786 N HA -0.101 4.640 4.740 0.001 0.000 0.186 786 N C 0.639 176.101 175.510 -0.079 0.000 1.032 786 N CA 1.357 54.225 53.050 -0.304 0.000 0.893 786 N CB -0.069 38.141 38.487 -0.462 0.000 0.957 786 N HN 0.364 nan 8.380 nan 0.000 0.442 787 V N -0.671 119.191 119.914 -0.088 0.000 3.276 787 V HA 0.302 4.422 4.120 0.001 0.000 0.319 787 V C 0.236 176.346 176.094 0.028 0.000 1.427 787 V CA -0.180 62.105 62.300 -0.025 0.000 1.102 787 V CB -0.113 31.674 31.823 -0.059 0.000 1.020 787 V HN 0.080 nan 8.190 nan 0.000 0.456 788 R N 0.846 121.390 120.500 0.072 0.000 2.393 788 R HA 0.578 4.918 4.340 0.001 0.000 0.310 788 R C -0.292 176.084 176.300 0.126 0.000 0.968 788 R CA -0.559 55.611 56.100 0.116 0.000 0.867 788 R CB 1.616 32.032 30.300 0.193 0.000 1.124 788 R HN 0.100 nan 8.270 nan 0.000 0.450 789 M N 3.376 123.040 119.600 0.107 0.000 3.123 789 M HA 0.120 4.600 4.480 0.001 0.000 0.283 789 M C -0.880 175.465 176.300 0.075 0.000 1.191 789 M CA -0.603 54.755 55.300 0.097 0.000 1.012 789 M CB -0.419 32.233 32.600 0.086 0.000 1.247 789 M HN 0.528 nan 8.290 nan 0.000 0.542 790 D N 0.482 120.922 120.400 0.066 0.000 2.329 790 D HA 0.267 4.908 4.640 0.001 0.000 0.246 790 D C 0.145 176.444 176.300 -0.001 0.000 1.111 790 D CA -0.273 53.737 54.000 0.018 0.000 0.941 790 D CB 0.348 41.129 40.800 -0.033 0.000 1.169 790 D HN 0.158 nan 8.370 nan 0.000 0.441 791 T N -1.080 113.458 114.554 -0.028 0.000 2.794 791 T HA 0.343 4.693 4.350 0.001 0.000 0.296 791 T C 0.797 175.480 174.700 -0.029 0.000 0.949 791 T CA -0.892 61.175 62.100 -0.055 0.000 1.101 791 T CB 0.173 68.998 68.868 -0.071 0.000 0.905 791 T HN 0.611 nan 8.240 nan 0.000 0.516 792 M N 1.626 121.217 119.600 -0.015 0.000 4.047 792 M HA -0.097 4.383 4.480 0.001 0.000 0.157 792 M C -0.731 175.646 176.300 0.127 0.000 1.532 792 M CA 0.706 56.083 55.300 0.127 0.000 1.097 792 M CB -0.905 31.803 32.600 0.179 0.000 1.346 792 M HN 1.341 nan 8.290 nan 0.000 0.190 793 A N 5.271 128.237 122.820 0.244 0.000 2.582 793 A HA 0.723 5.043 4.320 0.001 0.000 0.297 793 A C -1.507 176.245 177.584 0.279 0.000 1.059 793 A CA -0.898 51.210 52.037 0.118 0.000 0.705 793 A CB 1.407 20.367 19.000 -0.066 0.000 1.279 793 A HN 0.796 nan 8.150 nan 0.000 0.404 794 N N 1.063 119.864 118.700 0.168 0.000 2.354 794 N HA 0.564 5.304 4.740 0.001 0.000 0.287 794 N C -1.679 173.887 175.510 0.094 0.000 1.016 794 N CA -0.323 52.830 53.050 0.172 0.000 0.871 794 N CB 2.042 40.566 38.487 0.061 0.000 1.299 794 N HN 0.433 nan 8.380 nan 0.000 0.482 795 I N 2.311 122.909 120.570 0.047 0.000 2.362 795 I HA 0.208 4.378 4.170 0.001 0.000 0.289 795 I C -0.188 175.984 176.117 0.092 0.000 0.994 795 I CA -0.731 60.543 61.300 -0.042 0.000 1.158 795 I CB 1.409 39.170 38.000 -0.398 0.000 1.315 795 I HN 0.367 nan 8.210 nan 0.000 0.451 796 L N 7.438 128.725 121.223 0.107 0.000 2.455 796 L HA 0.072 4.412 4.340 0.001 0.000 0.272 796 L C 0.654 177.675 176.870 0.252 0.000 1.174 796 L CA 0.668 55.609 54.840 0.168 0.000 0.869 796 L CB -0.019 42.129 42.059 0.149 0.000 1.130 796 L HN 0.501 nan 8.230 nan 0.000 0.474 797 Y N 5.031 125.367 120.300 0.061 0.000 2.030 797 Y HA -0.205 4.346 4.550 0.001 0.000 0.274 797 Y C 0.537 176.636 175.900 0.331 0.000 1.153 797 Y CA 1.709 59.852 58.100 0.071 0.000 1.115 797 Y CB -0.454 37.889 38.460 -0.195 0.000 0.969 797 Y HN 0.517 nan 8.280 nan 0.000 0.488 798 Y N 0.656 121.063 120.300 0.179 0.000 2.712 798 Y HA 0.297 4.847 4.550 0.001 0.000 0.328 798 Y C -2.206 173.699 175.900 0.009 0.000 0.995 798 Y CA -2.954 55.182 58.100 0.060 0.000 1.283 798 Y CB 0.679 39.162 38.460 0.038 0.000 1.092 798 Y HN -0.020 nan 8.280 nan 0.000 0.519 799 P HA 0.124 nan 4.420 nan 0.000 0.272 799 P C -0.989 176.330 177.300 0.031 0.000 1.240 799 P CA -0.150 62.989 63.100 0.065 0.000 0.791 799 P CB 0.705 32.409 31.700 0.008 0.000 0.978 800 Q N 0.182 120.004 119.800 0.036 0.000 2.406 800 Q HA 0.131 4.471 4.340 0.001 0.000 0.244 800 Q C -0.745 175.198 176.000 -0.094 0.000 0.884 800 Q CA -0.798 55.002 55.803 -0.006 0.000 0.813 800 Q CB 1.570 30.335 28.738 0.045 0.000 1.368 800 Q HN 0.404 nan 8.270 nan 0.000 0.439 801 K N 2.036 122.320 120.400 -0.194 0.000 2.530 801 K HA 0.106 4.426 4.320 0.001 0.000 0.280 801 K C -2.180 174.184 176.600 -0.394 0.000 1.004 801 K CA -0.787 55.314 56.287 -0.310 0.000 1.071 801 K CB -0.066 32.296 32.500 -0.229 0.000 0.876 801 K HN 0.127 nan 8.250 nan 0.000 0.487 802 P HA -0.115 nan 4.420 nan 0.000 0.267 802 P C 0.563 177.662 177.300 -0.335 0.000 1.201 802 P CA -0.019 62.600 63.100 -0.802 0.000 0.775 802 P CB 0.727 31.883 31.700 -0.907 0.000 0.854 803 L N 1.815 122.903 121.223 -0.225 0.000 1.950 803 L HA -0.008 4.333 4.340 0.001 0.000 0.210 803 L C 1.813 178.619 176.870 -0.108 0.000 1.079 803 L CA 1.648 56.419 54.840 -0.116 0.000 0.754 803 L CB -1.345 40.679 42.059 -0.058 0.000 0.889 803 L HN 0.508 nan 8.230 nan 0.000 0.433 804 G N -0.438 108.305 108.800 -0.094 0.000 2.432 804 G HA2 0.360 4.320 3.960 0.001 0.000 0.239 804 G HA3 0.360 4.320 3.960 0.001 0.000 0.239 804 G C -0.222 174.587 174.900 -0.152 0.000 1.291 804 G CA 0.383 45.416 45.100 -0.110 0.000 0.863 804 G HN 0.384 nan 8.290 nan 0.000 0.560 805 T N -1.988 112.467 114.554 -0.164 0.000 2.681 805 T HA 0.764 5.114 4.350 0.001 0.000 0.296 805 T C -0.563 174.033 174.700 -0.173 0.000 1.157 805 T CA -0.784 61.227 62.100 -0.149 0.000 1.025 805 T CB 2.133 70.940 68.868 -0.102 0.000 1.441 805 T HN 0.498 nan 8.240 nan 0.000 0.504 806 T N 0.849 115.316 114.554 -0.144 0.000 2.916 806 T HA 0.421 4.772 4.350 0.001 0.000 0.298 806 T C 1.077 175.681 174.700 -0.160 0.000 1.031 806 T CA -0.951 61.063 62.100 -0.142 0.000 0.993 806 T CB 1.990 70.781 68.868 -0.129 0.000 1.045 806 T HN 0.596 nan 8.240 nan 0.000 0.454 807 R N 1.725 122.062 120.500 -0.271 0.000 2.133 807 R HA -0.147 4.193 4.340 0.001 0.000 0.247 807 R C 2.388 178.548 176.300 -0.232 0.000 1.151 807 R CA 1.632 57.421 56.100 -0.518 0.000 0.971 807 R CB -1.245 28.210 30.300 -1.407 0.000 0.866 807 R HN 0.743 nan 8.270 nan 0.000 0.447 808 A N 1.835 124.570 122.820 -0.141 0.000 1.917 808 A HA -0.222 4.098 4.320 0.001 0.000 0.219 808 A C 2.390 180.054 177.584 0.133 0.000 1.182 808 A CA 2.115 54.169 52.037 0.028 0.000 0.633 808 A CB -0.555 18.455 19.000 0.018 0.000 0.819 808 A HN 0.293 nan 8.150 nan 0.000 0.448 809 M N -1.183 118.431 119.600 0.024 0.000 2.082 809 M HA -0.254 4.227 4.480 0.001 0.000 0.258 809 M C 2.092 178.445 176.300 0.087 0.000 1.069 809 M CA 2.149 57.469 55.300 0.034 0.000 1.102 809 M CB -0.785 31.830 32.600 0.024 0.000 1.336 809 M HN 0.599 nan 8.290 nan 0.000 0.404 810 E N 0.357 120.569 120.200 0.021 0.000 2.164 810 E HA -0.254 4.096 4.350 0.001 0.000 0.206 810 E C 1.565 177.998 176.600 -0.277 0.000 1.032 810 E CA 2.083 58.366 56.400 -0.196 0.000 0.832 810 E CB -0.090 29.337 29.700 -0.456 0.000 0.742 810 E HN 0.674 nan 8.360 nan 0.000 0.460 811 Y N -0.953 119.317 120.300 -0.050 0.000 2.517 811 Y HA 0.137 4.687 4.550 0.001 0.000 0.281 811 Y C 1.721 177.522 175.900 -0.164 0.000 1.125 811 Y CA 0.203 58.224 58.100 -0.132 0.000 1.283 811 Y CB 0.073 38.340 38.460 -0.322 0.000 1.042 811 Y HN -0.003 nan 8.280 nan 0.000 0.547 812 L N 0.248 121.517 121.223 0.075 0.000 2.592 812 L HA 0.079 4.420 4.340 0.001 0.000 0.227 812 L C 0.275 177.290 176.870 0.241 0.000 1.127 812 L CA 0.132 55.031 54.840 0.099 0.000 0.884 812 L CB -0.163 41.920 42.059 0.040 0.000 1.065 812 L HN -0.023 nan 8.230 nan 0.000 0.457 813 K N -0.662 119.826 120.400 0.147 0.000 3.148 813 K HA -0.269 4.051 4.320 0.001 0.000 0.267 813 K C 0.637 177.245 176.600 0.012 0.000 0.996 813 K CA 0.559 56.880 56.287 0.055 0.000 0.737 813 K CB -2.176 30.328 32.500 0.006 0.000 1.308 813 K HN 0.198 nan 8.250 nan 0.000 0.470 814 F N 1.158 121.063 119.950 -0.075 0.000 2.094 814 F HA -0.011 4.517 4.527 0.001 0.000 0.291 814 F C 2.253 177.980 175.800 -0.122 0.000 1.109 814 F CA 1.124 59.079 58.000 -0.075 0.000 1.221 814 F CB -0.015 38.963 39.000 -0.037 0.000 1.014 814 F HN 0.137 nan 8.300 nan 0.000 0.473 815 R N 0.084 120.522 120.500 -0.104 0.000 2.211 815 R HA -0.201 4.139 4.340 0.001 0.000 0.240 815 R C 1.628 177.778 176.300 -0.251 0.000 1.144 815 R CA 1.656 57.632 56.100 -0.207 0.000 0.992 815 R CB -0.443 29.791 30.300 -0.110 0.000 0.869 815 R HN 0.335 nan 8.270 nan 0.000 0.462 816 E N -0.028 120.010 120.200 -0.270 0.000 2.250 816 E HA 0.075 4.425 4.350 0.001 0.000 0.192 816 E C 0.148 176.466 176.600 -0.471 0.000 0.986 816 E CA 0.672 56.876 56.400 -0.328 0.000 0.849 816 E CB 0.453 29.932 29.700 -0.368 0.000 0.797 816 E HN 0.178 nan 8.360 nan 0.000 0.482 817 L N 1.721 122.627 121.223 -0.529 0.000 2.502 817 L HA 0.357 4.697 4.340 0.001 0.000 0.249 817 L C -2.434 174.148 176.870 -0.480 0.000 1.446 817 L CA -1.713 52.843 54.840 -0.474 0.000 0.887 817 L CB 1.193 42.903 42.059 -0.582 0.000 1.126 817 L HN -0.083 nan 8.230 nan 0.000 0.509 818 P HA 0.119 nan 4.420 nan 0.000 0.274 818 P C -0.074 177.102 177.300 -0.207 0.000 1.260 818 P CA -0.289 62.381 63.100 -0.717 0.000 0.793 818 P CB 1.570 33.039 31.700 -0.385 0.000 1.048 819 A N -0.318 122.544 122.820 0.069 0.000 2.795 819 A HA 0.647 4.968 4.320 0.001 0.000 0.282 819 A C 0.304 177.937 177.584 0.082 0.000 0.964 819 A CA 0.225 52.365 52.037 0.172 0.000 1.045 819 A CB -0.357 18.823 19.000 0.300 0.000 1.174 819 A HN 0.798 nan 8.150 nan 0.000 0.493 820 G N -0.728 108.112 108.800 0.066 0.000 2.323 820 G HA2 0.481 4.441 3.960 0.001 0.000 0.291 820 G HA3 0.481 4.441 3.960 0.001 0.000 0.291 820 G C -1.697 173.252 174.900 0.082 0.000 1.278 820 G CA -0.552 44.475 45.100 -0.121 0.000 0.860 820 G HN 0.302 nan 8.290 nan 0.000 0.504 821 Q N -0.615 119.192 119.800 0.012 0.000 2.495 821 Q HA 0.416 4.756 4.340 0.001 0.000 0.287 821 Q C -1.079 175.109 176.000 0.312 0.000 1.078 821 Q CA -1.043 54.818 55.803 0.097 0.000 0.793 821 Q CB 2.298 30.772 28.738 -0.441 0.000 1.459 821 Q HN 0.442 nan 8.270 nan 0.000 0.422 822 N N 1.001 119.852 118.700 0.251 0.000 2.521 822 N HA 0.347 5.087 4.740 0.001 0.000 0.236 822 N C -1.249 174.340 175.510 0.132 0.000 1.067 822 N CA 0.015 53.208 53.050 0.238 0.000 0.939 822 N CB 1.273 39.833 38.487 0.122 0.000 1.201 822 N HN 0.503 nan 8.380 nan 0.000 0.511 823 A N 2.603 125.535 122.820 0.186 0.000 2.306 823 A HA 0.389 4.709 4.320 0.001 0.000 0.314 823 A C 0.620 178.264 177.584 0.101 0.000 1.164 823 A CA -0.628 51.480 52.037 0.119 0.000 0.822 823 A CB 0.590 19.681 19.000 0.151 0.000 1.130 823 A HN 0.512 nan 8.150 nan 0.000 0.496 824 I N 3.786 124.392 120.570 0.059 0.000 2.501 824 I HA 0.010 4.180 4.170 0.001 0.000 0.305 824 I C 0.538 176.624 176.117 -0.052 0.000 1.197 824 I CA 0.473 61.817 61.300 0.073 0.000 1.793 824 I CB -1.425 36.657 38.000 0.136 0.000 1.521 824 I HN 0.266 nan 8.210 nan 0.000 0.843 825 V N 4.404 124.301 119.914 -0.028 0.000 3.139 825 V HA 0.337 4.457 4.120 0.001 0.000 0.307 825 V C 0.740 176.656 176.094 -0.296 0.000 1.095 825 V CA -0.184 62.059 62.300 -0.094 0.000 1.160 825 V CB 1.395 33.276 31.823 0.098 0.000 1.003 825 V HN 0.800 nan 8.190 nan 0.000 0.489 826 A N 5.098 127.739 122.820 -0.298 0.000 2.547 826 A HA 0.587 4.907 4.320 0.001 0.000 0.279 826 A C -0.721 176.753 177.584 -0.183 0.000 1.088 826 A CA -0.513 51.278 52.037 -0.409 0.000 0.796 826 A CB 0.600 19.179 19.000 -0.702 0.000 1.308 826 A HN 0.682 nan 8.150 nan 0.000 0.415 827 I N 2.749 123.288 120.570 -0.051 0.000 2.278 827 I HA 0.408 4.578 4.170 0.001 0.000 0.300 827 I C 0.661 176.738 176.117 -0.067 0.000 1.174 827 I CA 0.542 61.841 61.300 -0.002 0.000 1.347 827 I CB 0.063 38.123 38.000 0.100 0.000 1.473 827 I HN 0.724 nan 8.210 nan 0.000 0.595 828 A N 4.835 127.599 122.820 -0.093 0.000 2.602 828 A HA 0.676 4.996 4.320 0.001 0.000 0.290 828 A C -1.064 176.495 177.584 -0.042 0.000 1.114 828 A CA -0.500 51.479 52.037 -0.096 0.000 0.683 828 A CB 1.266 20.173 19.000 -0.156 0.000 1.281 828 A HN 0.509 nan 8.150 nan 0.000 0.416 829 C N 0.409 119.704 119.300 -0.009 0.000 2.401 829 C HA 0.845 5.306 4.460 0.001 0.000 0.365 829 C C -0.626 174.473 174.990 0.182 0.000 1.250 829 C CA -0.035 59.026 59.018 0.072 0.000 2.131 829 C CB -0.180 27.594 27.740 0.056 0.000 2.445 829 C HN 0.702 nan 8.230 nan 0.000 0.550 830 Y N 1.006 121.307 120.300 0.002 0.000 2.620 830 Y HA 0.423 4.974 4.550 0.001 0.000 0.331 830 Y C 0.897 176.832 175.900 0.059 0.000 1.173 830 Y CA 0.227 58.311 58.100 -0.028 0.000 1.076 830 Y CB 1.229 39.630 38.460 -0.100 0.000 1.336 830 Y HN 0.950 nan 8.280 nan 0.000 0.459 831 S N 1.393 116.999 115.700 -0.156 0.000 4.157 831 S HA -0.298 4.172 4.470 0.001 0.000 0.538 831 S C 1.254 175.993 174.600 0.232 0.000 1.644 831 S CA 2.391 60.611 58.200 0.033 0.000 4.016 831 S CB -1.908 61.364 63.200 0.121 0.000 1.288 831 S HN 2.509 nan 8.310 nan 0.000 0.454 832 G N -1.536 107.483 108.800 0.365 0.000 3.288 832 G HA2 0.164 4.125 3.960 0.001 0.000 0.219 832 G HA3 0.164 4.125 3.960 0.001 0.000 0.219 832 G C 0.185 175.215 174.900 0.217 0.000 0.944 832 G CA 0.414 45.661 45.100 0.245 0.000 0.854 832 G HN 0.664 nan 8.290 nan 0.000 0.632 833 Y N 2.110 122.464 120.300 0.090 0.000 2.529 833 Y HA 0.129 4.679 4.550 0.001 0.000 0.290 833 Y C 2.170 178.107 175.900 0.061 0.000 1.177 833 Y CA 0.548 58.688 58.100 0.068 0.000 1.305 833 Y CB 0.100 38.600 38.460 0.068 0.000 1.047 833 Y HN 0.481 nan 8.280 nan 0.000 0.522 834 N N -0.377 118.447 118.700 0.205 0.000 2.280 834 N HA -0.019 4.722 4.740 0.001 0.000 0.192 834 N C 0.328 175.890 175.510 0.087 0.000 1.109 834 N CA -0.015 53.112 53.050 0.128 0.000 0.855 834 N CB -0.064 38.495 38.487 0.120 0.000 0.974 834 N HN 0.321 nan 8.380 nan 0.000 0.482 835 Q N 1.000 120.845 119.800 0.076 0.000 2.540 835 Q HA -0.023 4.318 4.340 0.001 0.000 0.256 835 Q C -0.176 175.838 176.000 0.023 0.000 1.084 835 Q CA 0.206 56.040 55.803 0.052 0.000 0.956 835 Q CB 0.372 29.119 28.738 0.015 0.000 1.303 835 Q HN 0.193 nan 8.270 nan 0.000 0.509 836 E N 2.503 122.710 120.200 0.011 0.000 2.103 836 E HA -0.345 4.005 4.350 0.001 0.000 0.186 836 E C -1.114 175.490 176.600 0.006 0.000 1.392 836 E CA 1.074 57.470 56.400 -0.006 0.000 0.691 836 E CB -1.427 28.253 29.700 -0.032 0.000 1.068 836 E HN 0.692 nan 8.360 nan 0.000 0.328 837 D N -0.340 120.076 120.400 0.026 0.000 3.187 837 D HA -0.143 4.497 4.640 0.001 0.000 0.244 837 D C -0.840 175.479 176.300 0.032 0.000 1.114 837 D CA 1.519 55.538 54.000 0.032 0.000 0.920 837 D CB -1.140 39.676 40.800 0.027 0.000 0.970 837 D HN 0.480 nan 8.370 nan 0.000 0.418 838 S N -0.427 115.297 115.700 0.040 0.000 2.658 838 S HA 0.455 4.925 4.470 0.001 0.000 0.312 838 S C -0.216 174.409 174.600 0.042 0.000 1.006 838 S CA -1.192 57.032 58.200 0.040 0.000 0.855 838 S CB 2.089 65.304 63.200 0.026 0.000 1.053 838 S HN 0.308 nan 8.310 nan 0.000 0.455 839 M N 1.864 121.478 119.600 0.024 0.000 2.649 839 M HA 0.694 5.174 4.480 0.001 0.000 0.294 839 M C -0.994 175.319 176.300 0.021 0.000 1.206 839 M CA -0.768 54.533 55.300 0.003 0.000 0.928 839 M CB 0.169 32.716 32.600 -0.088 0.000 1.571 839 M HN 0.744 nan 8.290 nan 0.000 0.501 840 I N 1.546 122.137 120.570 0.034 0.000 2.392 840 I HA 0.450 4.620 4.170 0.001 0.000 0.295 840 I C -0.416 175.697 176.117 -0.007 0.000 0.985 840 I CA -0.441 60.906 61.300 0.078 0.000 1.221 840 I CB 1.777 39.902 38.000 0.208 0.000 1.366 840 I HN 0.719 nan 8.210 nan 0.000 0.467 841 M N 5.787 125.369 119.600 -0.030 0.000 2.321 841 M HA 0.362 4.842 4.480 0.001 0.000 0.315 841 M C -0.627 175.661 176.300 -0.019 0.000 1.052 841 M CA -0.663 54.587 55.300 -0.084 0.000 0.936 841 M CB 1.699 34.196 32.600 -0.172 0.000 1.639 841 M HN 0.503 nan 8.290 nan 0.000 0.433 842 N N 2.994 121.687 118.700 -0.011 0.000 2.411 842 N HA -0.085 4.655 4.740 0.001 0.000 0.261 842 N C 0.332 175.853 175.510 0.018 0.000 1.248 842 N CA 0.595 53.663 53.050 0.029 0.000 0.885 842 N CB 1.017 39.514 38.487 0.017 0.000 1.062 842 N HN 0.720 nan 8.380 nan 0.000 0.471 843 Q N 2.503 122.323 119.800 0.034 0.000 2.061 843 Q HA 0.040 4.381 4.340 0.001 0.000 0.195 843 Q C 1.482 177.494 176.000 0.021 0.000 0.967 843 Q CA 1.493 57.305 55.803 0.016 0.000 0.829 843 Q CB -0.465 28.280 28.738 0.012 0.000 0.900 843 Q HN 0.714 nan 8.270 nan 0.000 0.450 844 S N 0.651 116.372 115.700 0.035 0.000 2.401 844 S HA -0.285 4.186 4.470 0.001 0.000 0.236 844 S C 1.961 176.576 174.600 0.024 0.000 1.058 844 S CA 2.227 60.446 58.200 0.032 0.000 1.151 844 S CB -0.948 62.277 63.200 0.042 0.000 1.049 844 S HN 0.717 nan 8.310 nan 0.000 0.432 845 S N 1.477 117.192 115.700 0.024 0.000 2.419 845 S HA -0.011 4.460 4.470 0.001 0.000 0.235 845 S C 1.726 176.331 174.600 0.009 0.000 1.019 845 S CA 1.051 59.262 58.200 0.018 0.000 0.982 845 S CB -0.743 62.466 63.200 0.015 0.000 0.789 845 S HN 0.496 nan 8.310 nan 0.000 0.490 846 I N 2.141 122.717 120.570 0.009 0.000 2.454 846 I HA -0.172 3.998 4.170 0.001 0.000 0.254 846 I C 1.896 178.007 176.117 -0.009 0.000 1.156 846 I CA 1.360 62.664 61.300 0.007 0.000 1.433 846 I CB -0.452 37.551 38.000 0.005 0.000 1.082 846 I HN 0.261 nan 8.210 nan 0.000 0.432 847 D N 0.982 121.382 120.400 -0.001 0.000 2.085 847 D HA -0.104 4.536 4.640 0.001 0.000 0.199 847 D C 2.020 178.323 176.300 0.005 0.000 0.981 847 D CA 0.974 54.974 54.000 0.001 0.000 0.834 847 D CB -0.387 40.420 40.800 0.011 0.000 0.992 847 D HN 0.239 nan 8.370 nan 0.000 0.457 848 R N 0.212 120.722 120.500 0.016 0.000 2.417 848 R HA -0.006 4.335 4.340 0.001 0.000 0.220 848 R C 1.106 177.421 176.300 0.025 0.000 1.128 848 R CA 0.840 56.960 56.100 0.034 0.000 1.048 848 R CB -0.308 30.017 30.300 0.042 0.000 0.835 848 R HN 0.305 nan 8.270 nan 0.000 0.483 849 G N 0.564 109.346 108.800 -0.029 0.000 2.163 849 G HA2 -0.224 3.736 3.960 0.001 0.000 0.213 849 G HA3 -0.224 3.736 3.960 0.001 0.000 0.213 849 G C -0.110 174.697 174.900 -0.155 0.000 0.991 849 G CA -0.342 44.682 45.100 -0.127 0.000 0.653 849 G HN 0.229 nan 8.290 nan 0.000 0.518 850 L N 0.735 121.914 121.223 -0.072 0.000 2.490 850 L HA 0.621 4.961 4.340 0.001 0.000 0.274 850 L C 1.270 178.141 176.870 0.002 0.000 1.201 850 L CA 0.467 55.258 54.840 -0.082 0.000 0.869 850 L CB -0.785 41.256 42.059 -0.031 0.000 1.123 850 L HN 0.608 nan 8.230 nan 0.000 0.484 851 F N 2.667 122.590 119.950 -0.044 0.000 3.105 851 F HA -0.322 4.205 4.527 0.001 0.000 0.280 851 F C 1.190 176.940 175.800 -0.084 0.000 0.894 851 F CA 0.732 58.727 58.000 -0.007 0.000 0.992 851 F CB -0.809 38.228 39.000 0.063 0.000 1.047 851 F HN 0.618 nan 8.300 nan 0.000 0.607 852 R N 0.319 120.747 120.500 -0.121 0.000 2.649 852 R HA 0.625 4.965 4.340 0.001 0.000 0.270 852 R C 0.525 176.611 176.300 -0.357 0.000 1.105 852 R CA 0.465 56.319 56.100 -0.409 0.000 1.193 852 R CB 1.345 31.052 30.300 -0.988 0.000 1.120 852 R HN 0.255 nan 8.270 nan 0.000 0.561 853 S N 0.002 115.471 115.700 -0.386 0.000 2.656 853 S HA 0.511 4.982 4.470 0.001 0.000 0.273 853 S C -0.896 173.778 174.600 0.123 0.000 1.168 853 S CA -1.057 57.132 58.200 -0.019 0.000 0.817 853 S CB 1.221 64.442 63.200 0.035 0.000 1.146 853 S HN 0.333 nan 8.310 nan 0.000 0.475 854 L N 1.052 122.460 121.223 0.307 0.000 2.332 854 L HA 0.745 5.086 4.340 0.001 0.000 0.269 854 L C -1.378 175.761 176.870 0.448 0.000 1.016 854 L CA -0.802 54.283 54.840 0.409 0.000 0.809 854 L CB 1.732 44.118 42.059 0.546 0.000 1.280 854 L HN 0.795 nan 8.230 nan 0.000 0.447 855 F N 1.828 121.920 119.950 0.236 0.000 2.585 855 F HA 0.541 5.068 4.527 0.001 0.000 0.319 855 F C -1.560 174.337 175.800 0.161 0.000 1.165 855 F CA -1.303 56.816 58.000 0.197 0.000 0.949 855 F CB 1.301 40.329 39.000 0.046 0.000 1.218 855 F HN 0.030 nan 8.300 nan 0.000 0.453 856 F N 5.804 125.570 119.950 -0.307 0.000 2.477 856 F HA 0.610 5.138 4.527 0.001 0.000 0.335 856 F C -0.012 175.435 175.800 -0.588 0.000 1.130 856 F CA -0.694 57.064 58.000 -0.402 0.000 0.948 856 F CB 1.805 40.750 39.000 -0.093 0.000 1.154 856 F HN 0.469 nan 8.300 nan 0.000 0.439 857 R N 0.989 121.193 120.500 -0.493 0.000 2.803 857 R HA 0.794 5.135 4.340 0.001 0.000 0.276 857 R C -1.259 174.923 176.300 -0.195 0.000 0.978 857 R CA -0.550 55.322 56.100 -0.380 0.000 0.939 857 R CB 1.818 31.823 30.300 -0.492 0.000 1.179 857 R HN 0.639 nan 8.270 nan 0.000 0.472 858 S N 2.621 118.196 115.700 -0.210 0.000 2.774 858 S HA 0.335 4.805 4.470 0.001 0.000 0.297 858 S C -1.488 173.023 174.600 -0.148 0.000 1.143 858 S CA -0.562 57.582 58.200 -0.093 0.000 1.090 858 S CB 0.449 63.638 63.200 -0.018 0.000 1.019 858 S HN 0.384 nan 8.310 nan 0.000 0.482 859 Y N 2.735 122.993 120.300 -0.070 0.000 2.304 859 Y HA 0.624 5.174 4.550 0.001 0.000 0.327 859 Y C 0.521 176.368 175.900 -0.089 0.000 1.209 859 Y CA -0.695 57.365 58.100 -0.066 0.000 1.299 859 Y CB 0.625 39.042 38.460 -0.072 0.000 1.249 859 Y HN 0.454 nan 8.280 nan 0.000 0.519 860 M N 2.460 122.093 119.600 0.054 0.000 2.618 860 M HA 0.501 4.982 4.480 0.001 0.000 0.281 860 M C -2.333 173.953 176.300 -0.023 0.000 1.267 860 M CA -0.367 54.895 55.300 -0.062 0.000 0.845 860 M CB 2.958 35.484 32.600 -0.123 0.000 1.732 860 M HN 0.850 nan 8.290 nan 0.000 0.461 861 D N 0.947 121.302 120.400 -0.074 0.000 2.683 861 D HA 0.393 5.034 4.640 0.001 0.000 0.246 861 D C -1.803 174.601 176.300 0.173 0.000 1.238 861 D CA -0.015 54.039 54.000 0.091 0.000 0.759 861 D CB 2.144 43.057 40.800 0.189 0.000 1.349 861 D HN 0.766 nan 8.370 nan 0.000 0.426 862 Q N 0.124 120.070 119.800 0.243 0.000 3.017 862 Q HA 0.475 4.815 4.340 0.001 0.000 0.299 862 Q C -0.806 175.228 176.000 0.057 0.000 1.046 862 Q CA -0.787 55.179 55.803 0.272 0.000 0.821 862 Q CB 2.018 30.931 28.738 0.293 0.000 1.481 862 Q HN 0.216 nan 8.270 nan 0.000 0.494 863 E N 1.293 121.484 120.200 -0.015 0.000 2.376 863 E HA 0.200 4.550 4.350 0.001 0.000 0.236 863 E C -1.238 175.334 176.600 -0.045 0.000 0.962 863 E CA -0.232 56.069 56.400 -0.164 0.000 0.768 863 E CB 0.981 30.535 29.700 -0.242 0.000 1.236 863 E HN 0.194 nan 8.360 nan 0.000 0.431 864 K N 1.896 122.283 120.400 -0.020 0.000 2.518 864 K HA 0.047 4.367 4.320 0.001 0.000 0.276 864 K C 0.260 176.862 176.600 0.003 0.000 0.974 864 K CA 0.454 56.724 56.287 -0.028 0.000 0.986 864 K CB 0.585 33.068 32.500 -0.028 0.000 0.901 864 K HN 0.056 nan 8.250 nan 0.000 0.497 865 K N 1.774 122.119 120.400 -0.093 0.000 2.350 865 K HA 0.412 4.732 4.320 0.001 0.000 0.241 865 K C -1.427 175.072 176.600 -0.168 0.000 0.994 865 K CA -0.859 55.434 56.287 0.010 0.000 0.839 865 K CB 1.348 33.852 32.500 0.006 0.000 1.244 865 K HN 0.386 nan 8.250 nan 0.000 0.443 866 Y N -0.576 119.724 120.300 -0.001 0.000 2.331 866 Y HA 0.192 4.742 4.550 0.001 0.000 0.326 866 Y C 1.264 177.167 175.900 0.005 0.000 1.020 866 Y CA -0.502 57.600 58.100 0.003 0.000 1.136 866 Y CB 1.685 40.145 38.460 0.001 0.000 1.157 866 Y HN 0.876 nan 8.280 nan 0.000 0.444 867 G N 2.679 111.540 108.800 0.102 0.000 2.869 867 G HA2 -0.381 3.579 3.960 0.001 0.000 0.240 867 G HA3 -0.381 3.579 3.960 0.001 0.000 0.240 867 G C 1.144 176.089 174.900 0.076 0.000 1.143 867 G CA 1.144 46.286 45.100 0.070 0.000 0.749 867 G HN 0.669 nan 8.290 nan 0.000 0.646 868 M N 1.875 121.528 119.600 0.089 0.000 3.543 868 M HA 0.165 4.646 4.480 0.001 0.000 0.181 868 M C 0.693 177.028 176.300 0.058 0.000 1.448 868 M CA 0.043 55.380 55.300 0.062 0.000 1.587 868 M CB -0.433 32.197 32.600 0.050 0.000 1.380 868 M HN 0.183 nan 8.290 nan 0.000 0.447 869 S N 1.123 116.863 115.700 0.066 0.000 3.280 869 S HA -0.163 4.307 4.470 0.001 0.000 0.349 869 S C -0.125 174.504 174.600 0.049 0.000 0.936 869 S CA 0.512 58.747 58.200 0.058 0.000 1.301 869 S CB -1.469 61.752 63.200 0.035 0.000 0.907 869 S HN 0.567 nan 8.310 nan 0.000 0.516 870 I N 1.796 122.417 120.570 0.085 0.000 2.382 870 I HA 0.268 4.438 4.170 0.001 0.000 0.285 870 I C 0.404 176.585 176.117 0.106 0.000 1.007 870 I CA -0.258 61.051 61.300 0.014 0.000 1.142 870 I CB 1.791 39.692 38.000 -0.165 0.000 1.289 870 I HN 0.150 nan 8.210 nan 0.000 0.453 871 T N 4.610 119.194 114.554 0.049 0.000 2.940 871 T HA 0.415 4.765 4.350 0.001 0.000 0.288 871 T C -0.133 174.574 174.700 0.011 0.000 1.033 871 T CA -0.733 61.404 62.100 0.062 0.000 1.033 871 T CB 2.049 70.933 68.868 0.027 0.000 1.079 871 T HN 0.438 nan 8.240 nan 0.000 0.496 872 E N 0.425 120.623 120.200 -0.005 0.000 2.292 872 E HA 0.649 4.999 4.350 0.001 0.000 0.258 872 E C -0.566 175.953 176.600 -0.136 0.000 1.115 872 E CA -0.715 55.646 56.400 -0.064 0.000 0.929 872 E CB 1.097 30.751 29.700 -0.077 0.000 1.161 872 E HN 0.437 nan 8.360 nan 0.000 0.453 873 T N 0.435 114.895 114.554 -0.158 0.000 2.894 873 T HA 0.305 4.655 4.350 0.001 0.000 0.309 873 T C -1.102 173.546 174.700 -0.087 0.000 1.208 873 T CA -0.654 61.361 62.100 -0.142 0.000 1.016 873 T CB 0.545 69.395 68.868 -0.030 0.000 1.192 873 T HN 0.289 nan 8.240 nan 0.000 0.491 874 F N 3.086 123.057 119.950 0.035 0.000 2.467 874 F HA 0.305 4.832 4.527 0.001 0.000 0.349 874 F C 1.184 177.002 175.800 0.029 0.000 1.182 874 F CA -0.677 57.342 58.000 0.031 0.000 1.279 874 F CB 0.285 39.302 39.000 0.027 0.000 1.626 874 F HN 0.549 nan 8.300 nan 0.000 0.596 875 E N 1.012 121.339 120.200 0.211 0.000 2.447 875 E HA 0.403 4.753 4.350 0.001 0.000 0.251 875 E C -1.131 175.539 176.600 0.117 0.000 0.910 875 E CA -1.308 55.169 56.400 0.128 0.000 0.841 875 E CB 1.693 31.441 29.700 0.079 0.000 1.403 875 E HN 0.124 nan 8.360 nan 0.000 0.400 876 K N 1.736 122.182 120.400 0.078 0.000 2.478 876 K HA 0.343 4.664 4.320 0.001 0.000 0.236 876 K C -2.346 174.256 176.600 0.003 0.000 1.021 876 K CA -1.809 54.524 56.287 0.076 0.000 1.010 876 K CB 1.021 33.564 32.500 0.071 0.000 1.331 876 K HN 0.397 nan 8.250 nan 0.000 0.470 877 P HA 0.337 nan 4.420 nan 0.000 0.287 877 P C -1.619 175.545 177.300 -0.226 0.000 1.296 877 P CA -0.546 62.487 63.100 -0.111 0.000 0.811 877 P CB 1.224 32.871 31.700 -0.088 0.000 1.211 878 Q N -1.685 118.004 119.800 -0.186 0.000 2.541 878 Q HA 0.383 4.724 4.340 0.001 0.000 0.259 878 Q C -0.126 175.795 176.000 -0.130 0.000 0.974 878 Q CA -0.907 54.775 55.803 -0.203 0.000 0.955 878 Q CB 0.783 29.424 28.738 -0.162 0.000 1.517 878 Q HN 0.228 nan 8.270 nan 0.000 0.412 879 R N 0.541 120.967 120.500 -0.125 0.000 3.309 879 R HA -0.225 4.115 4.340 0.001 0.000 0.649 879 R C -0.318 175.941 176.300 -0.068 0.000 0.241 879 R CA 1.767 57.818 56.100 -0.083 0.000 1.994 879 R CB -2.113 28.149 30.300 -0.062 0.000 0.780 879 R HN 1.465 nan 8.270 nan 0.000 0.651 880 T N 0.791 115.314 114.554 -0.050 0.000 4.081 880 T HA -0.148 4.203 4.350 0.001 0.000 0.364 880 T C 0.433 175.111 174.700 -0.037 0.000 0.757 880 T CA 1.014 63.089 62.100 -0.041 0.000 2.003 880 T CB -0.993 67.850 68.868 -0.043 0.000 1.820 880 T HN 0.636 nan 8.240 nan 0.000 0.875 881 N N -1.080 117.600 118.700 -0.033 0.000 3.563 881 N HA -0.218 4.522 4.740 0.001 0.000 0.244 881 N C 1.398 176.890 175.510 -0.030 0.000 0.365 881 N CA 1.613 54.646 53.050 -0.029 0.000 2.629 881 N CB -1.784 36.687 38.487 -0.027 0.000 1.625 881 N HN 0.432 nan 8.380 nan 0.000 0.299 882 T N 2.883 117.418 114.554 -0.033 0.000 2.602 882 T HA -0.173 4.178 4.350 0.001 0.000 0.264 882 T C 1.588 176.268 174.700 -0.034 0.000 1.085 882 T CA 3.108 65.189 62.100 -0.032 0.000 1.164 882 T CB -0.298 68.550 68.868 -0.034 0.000 0.860 882 T HN 0.518 nan 8.240 nan 0.000 0.442 883 L N -2.696 118.500 121.223 -0.046 0.000 4.342 883 L HA -0.177 4.163 4.340 0.001 0.000 0.395 883 L C 0.501 177.336 176.870 -0.058 0.000 0.764 883 L CA 0.609 55.419 54.840 -0.051 0.000 2.417 883 L CB -1.246 40.791 42.059 -0.036 0.000 1.210 883 L HN 0.208 nan 8.230 nan 0.000 0.626 884 R N 1.598 122.071 120.500 -0.046 0.000 2.605 884 R HA 0.340 4.681 4.340 0.001 0.000 0.271 884 R C 0.389 176.665 176.300 -0.040 0.000 1.418 884 R CA 0.459 56.535 56.100 -0.040 0.000 1.102 884 R CB 0.141 30.427 30.300 -0.022 0.000 1.131 884 R HN 0.462 nan 8.270 nan 0.000 0.554 885 M N 0.680 120.245 119.600 -0.058 0.000 2.319 885 M HA 0.402 4.883 4.480 0.001 0.000 0.215 885 M C -0.036 176.276 176.300 0.020 0.000 1.410 885 M CA -0.317 54.971 55.300 -0.020 0.000 1.874 885 M CB 0.451 32.988 32.600 -0.105 0.000 1.141 885 M HN -0.021 nan 8.290 nan 0.000 0.907 886 K N -0.264 120.177 120.400 0.069 0.000 2.533 886 K HA 0.360 4.681 4.320 0.001 0.000 0.284 886 K C 0.359 176.917 176.600 -0.070 0.000 1.025 886 K CA -0.570 55.721 56.287 0.005 0.000 0.900 886 K CB 0.982 33.547 32.500 0.108 0.000 1.519 886 K HN 0.447 nan 8.250 nan 0.000 0.432 887 H N 0.015 119.141 119.070 0.093 0.000 2.399 887 H HA 0.069 4.625 4.556 0.001 0.000 0.300 887 H C 0.913 176.278 175.328 0.062 0.000 1.048 887 H CA 0.884 56.974 56.048 0.071 0.000 1.370 887 H CB 0.227 30.009 29.762 0.034 0.000 1.428 887 H HN 0.739 nan 8.280 nan 0.000 0.534 888 G N 1.206 110.075 108.800 0.116 0.000 2.670 888 G HA2 -0.041 3.919 3.960 0.001 0.000 0.233 888 G HA3 -0.041 3.919 3.960 0.001 0.000 0.233 888 G C -0.108 174.792 174.900 0.001 0.000 1.251 888 G CA -0.059 45.042 45.100 0.003 0.000 0.849 888 G HN 0.148 nan 8.290 nan 0.000 0.588 889 T N 1.216 115.761 114.554 -0.014 0.000 2.870 889 T HA 0.132 4.483 4.350 0.001 0.000 0.300 889 T C 0.558 175.242 174.700 -0.028 0.000 0.989 889 T CA 0.259 62.382 62.100 0.039 0.000 1.139 889 T CB 0.782 69.661 68.868 0.019 0.000 0.920 889 T HN 0.434 nan 8.240 nan 0.000 0.537 890 Y N 0.925 121.214 120.300 -0.018 0.000 2.448 890 Y HA 0.005 4.555 4.550 0.001 0.000 0.289 890 Y C 2.265 178.151 175.900 -0.024 0.000 1.114 890 Y CA 0.169 58.255 58.100 -0.023 0.000 1.235 890 Y CB -0.064 38.385 38.460 -0.018 0.000 1.045 890 Y HN 0.651 nan 8.280 nan 0.000 0.554 891 D N 0.797 121.272 120.400 0.125 0.000 2.360 891 D HA -0.270 4.371 4.640 0.001 0.000 0.192 891 D C 1.193 177.508 176.300 0.025 0.000 1.025 891 D CA 1.695 55.731 54.000 0.061 0.000 0.903 891 D CB -0.275 40.547 40.800 0.037 0.000 0.900 891 D HN 0.383 nan 8.370 nan 0.000 0.452 892 K N -0.043 120.353 120.400 -0.006 0.000 2.611 892 K HA 0.088 4.408 4.320 0.001 0.000 0.193 892 K C 0.461 177.039 176.600 -0.037 0.000 1.026 892 K CA 0.012 56.279 56.287 -0.033 0.000 1.063 892 K CB 0.136 32.599 32.500 -0.063 0.000 0.839 892 K HN 0.166 nan 8.250 nan 0.000 0.505 893 L N 0.864 122.083 121.223 -0.007 0.000 2.317 893 L HA 0.203 4.543 4.340 0.001 0.000 0.281 893 L C -0.012 176.864 176.870 0.009 0.000 1.024 893 L CA -0.770 54.068 54.840 -0.003 0.000 0.810 893 L CB 1.490 43.574 42.059 0.040 0.000 1.240 893 L HN -0.011 nan 8.230 nan 0.000 0.427 894 D N 0.325 120.722 120.400 -0.006 0.000 2.469 894 D HA 0.069 4.709 4.640 0.001 0.000 0.278 894 D C 0.415 176.723 176.300 0.014 0.000 1.231 894 D CA -0.205 53.795 54.000 -0.000 0.000 1.075 894 D CB 0.651 41.444 40.800 -0.012 0.000 1.121 894 D HN 0.470 nan 8.370 nan 0.000 0.571 895 D N -1.082 119.326 120.400 0.015 0.000 2.224 895 D HA -0.070 4.571 4.640 0.001 0.000 0.205 895 D C 0.894 177.215 176.300 0.035 0.000 0.965 895 D CA 0.731 54.746 54.000 0.026 0.000 0.852 895 D CB -0.044 40.769 40.800 0.022 0.000 0.947 895 D HN 0.412 nan 8.370 nan 0.000 0.494 896 D N -0.758 119.654 120.400 0.020 0.000 2.348 896 D HA 0.045 4.685 4.640 0.001 0.000 0.216 896 D C 1.423 177.732 176.300 0.015 0.000 0.970 896 D CA 0.748 54.763 54.000 0.023 0.000 0.889 896 D CB -0.314 40.481 40.800 -0.008 0.000 0.912 896 D HN 0.144 nan 8.370 nan 0.000 0.524 897 G N -0.356 108.451 108.800 0.010 0.000 2.142 897 G HA2 -0.194 3.767 3.960 0.001 0.000 0.225 897 G HA3 -0.194 3.767 3.960 0.001 0.000 0.225 897 G C -0.203 174.646 174.900 -0.084 0.000 1.015 897 G CA 0.269 45.376 45.100 0.011 0.000 0.716 897 G HN 0.397 nan 8.290 nan 0.000 0.508 898 L N -0.920 120.246 121.223 -0.095 0.000 2.303 898 L HA 0.724 5.065 4.340 0.001 0.000 0.256 898 L C 0.443 177.255 176.870 -0.096 0.000 1.034 898 L CA -1.552 53.209 54.840 -0.132 0.000 0.832 898 L CB 1.859 43.822 42.059 -0.161 0.000 1.403 898 L HN -0.008 nan 8.230 nan 0.000 0.419 899 I N 1.131 121.635 120.570 -0.109 0.000 2.359 899 I HA 0.455 4.626 4.170 0.001 0.000 0.294 899 I C 0.391 176.462 176.117 -0.076 0.000 0.987 899 I CA -0.516 60.730 61.300 -0.091 0.000 1.225 899 I CB 1.767 39.701 38.000 -0.110 0.000 1.366 899 I HN 0.620 nan 8.210 nan 0.000 0.466 900 A N 7.569 130.355 122.820 -0.057 0.000 2.401 900 A HA 0.361 4.681 4.320 0.001 0.000 0.259 900 A C -1.554 176.003 177.584 -0.046 0.000 1.103 900 A CA -1.201 50.809 52.037 -0.046 0.000 0.789 900 A CB -0.027 18.953 19.000 -0.033 0.000 1.035 900 A HN 0.587 nan 8.150 nan 0.000 0.491 901 P HA -0.247 nan 4.420 nan 0.000 0.219 901 P C 1.555 178.833 177.300 -0.036 0.000 1.153 901 P CA 2.281 65.359 63.100 -0.036 0.000 0.865 901 P CB 0.164 31.851 31.700 -0.021 0.000 0.788 902 G N -1.226 107.556 108.800 -0.030 0.000 2.484 902 G HA2 -0.068 3.893 3.960 0.001 0.000 0.218 902 G HA3 -0.068 3.893 3.960 0.001 0.000 0.218 902 G C 0.431 175.311 174.900 -0.033 0.000 1.130 902 G CA 0.002 45.086 45.100 -0.027 0.000 0.784 902 G HN 0.177 nan 8.290 nan 0.000 0.543 903 V N -0.000 119.889 119.914 -0.041 0.000 3.061 903 V HA 0.086 4.206 4.120 0.001 0.000 0.306 903 V C 0.770 176.834 176.094 -0.051 0.000 1.118 903 V CA 0.160 62.433 62.300 -0.045 0.000 1.231 903 V CB 0.839 32.628 31.823 -0.055 0.000 0.956 903 V HN 0.313 nan 8.190 nan 0.000 0.499 904 R N 2.530 123.003 120.500 -0.046 0.000 2.287 904 R HA 0.512 4.852 4.340 0.001 0.000 0.316 904 R C -0.593 175.675 176.300 -0.053 0.000 1.050 904 R CA -0.432 55.641 56.100 -0.046 0.000 0.983 904 R CB 1.069 31.350 30.300 -0.032 0.000 1.140 904 R HN 0.768 nan 8.270 nan 0.000 0.528 905 V N 0.941 120.814 119.914 -0.069 0.000 3.036 905 V HA 0.668 4.788 4.120 0.001 0.000 0.308 905 V C 0.391 176.447 176.094 -0.063 0.000 1.070 905 V CA 0.091 62.343 62.300 -0.080 0.000 1.056 905 V CB 1.676 33.429 31.823 -0.118 0.000 1.084 905 V HN 0.847 nan 8.190 nan 0.000 0.471 906 S N 1.479 117.143 115.700 -0.060 0.000 4.055 906 S HA 0.517 4.987 4.470 0.001 0.000 0.180 906 S C 1.514 176.092 174.600 -0.036 0.000 1.191 906 S CA 0.262 58.439 58.200 -0.039 0.000 1.195 906 S CB 0.057 63.241 63.200 -0.027 0.000 1.932 906 S HN 1.562 nan 8.310 nan 0.000 0.781 907 G N 1.511 110.294 108.800 -0.028 0.000 3.084 907 G HA2 -0.143 3.818 3.960 0.001 0.000 0.202 907 G HA3 -0.143 3.818 3.960 0.001 0.000 0.202 907 G C 0.350 175.232 174.900 -0.030 0.000 1.239 907 G CA 1.373 46.460 45.100 -0.022 0.000 0.779 907 G HN 0.768 nan 8.290 nan 0.000 0.908 908 E N 0.906 121.084 120.200 -0.037 0.000 2.887 908 E HA 0.178 4.528 4.350 0.001 0.000 0.206 908 E C -0.870 175.672 176.600 -0.096 0.000 0.983 908 E CA -0.271 56.099 56.400 -0.049 0.000 1.141 908 E CB 0.378 30.071 29.700 -0.012 0.000 1.061 908 E HN 0.552 nan 8.360 nan 0.000 0.468 909 D N 0.502 120.833 120.400 -0.115 0.000 2.406 909 D HA -0.041 4.599 4.640 0.001 0.000 0.234 909 D C 0.216 176.364 176.300 -0.252 0.000 1.196 909 D CA -0.016 53.884 54.000 -0.167 0.000 0.881 909 D CB 0.664 41.380 40.800 -0.140 0.000 1.205 909 D HN -0.208 nan 8.370 nan 0.000 0.453 910 V N 1.393 121.087 119.914 -0.366 0.000 2.530 910 V HA 0.104 4.224 4.120 0.001 0.000 0.282 910 V C 1.224 177.131 176.094 -0.312 0.000 1.048 910 V CA -0.194 61.854 62.300 -0.420 0.000 0.997 910 V CB 1.018 32.391 31.823 -0.749 0.000 0.987 910 V HN 0.524 nan 8.190 nan 0.000 0.477 911 I N 4.125 124.518 120.570 -0.295 0.000 3.526 911 I HA 0.286 4.457 4.170 0.001 0.000 0.294 911 I C 0.291 176.281 176.117 -0.212 0.000 1.229 911 I CA 0.817 61.951 61.300 -0.276 0.000 1.408 911 I CB 0.508 38.266 38.000 -0.403 0.000 1.127 911 I HN 0.412 nan 8.210 nan 0.000 0.439 912 I N 0.681 121.147 120.570 -0.174 0.000 2.512 912 I HA 0.330 4.500 4.170 0.001 0.000 0.287 912 I C -0.183 175.933 176.117 -0.001 0.000 1.069 912 I CA -0.517 60.712 61.300 -0.117 0.000 1.056 912 I CB 2.007 39.946 38.000 -0.102 0.000 1.229 912 I HN -0.085 nan 8.210 nan 0.000 0.429 913 G N 5.554 114.392 108.800 0.063 0.000 2.319 913 G HA2 0.536 4.497 3.960 0.001 0.000 0.308 913 G HA3 0.536 4.497 3.960 0.001 0.000 0.308 913 G C -0.905 174.184 174.900 0.315 0.000 1.117 913 G CA -0.308 44.908 45.100 0.193 0.000 0.903 913 G HN 0.570 nan 8.290 nan 0.000 0.436 914 K N 1.036 121.596 120.400 0.266 0.000 2.502 914 K HA 0.719 5.039 4.320 0.001 0.000 0.257 914 K C -0.823 175.838 176.600 0.103 0.000 0.938 914 K CA -0.662 55.754 56.287 0.215 0.000 0.819 914 K CB 2.153 34.776 32.500 0.206 0.000 1.333 914 K HN 0.598 nan 8.250 nan 0.000 0.434 915 T N -0.906 113.669 114.554 0.035 0.000 2.909 915 T HA 0.515 4.866 4.350 0.001 0.000 0.299 915 T C -0.805 173.887 174.700 -0.014 0.000 1.073 915 T CA -0.720 61.389 62.100 0.014 0.000 0.999 915 T CB 1.812 70.686 68.868 0.010 0.000 1.098 915 T HN 0.361 nan 8.240 nan 0.000 0.477 916 T N 3.775 118.320 114.554 -0.015 0.000 2.886 916 T HA 0.682 5.032 4.350 0.001 0.000 0.292 916 T C -2.572 172.096 174.700 -0.054 0.000 1.012 916 T CA -1.036 61.044 62.100 -0.034 0.000 0.982 916 T CB 1.991 70.848 68.868 -0.018 0.000 1.018 916 T HN 0.614 nan 8.240 nan 0.000 0.451 934 K N 2.644 123.023 120.400 -0.036 0.000 2.419 934 K HA 0.405 4.725 4.320 0.001 0.000 0.244 934 K C -0.696 175.885 176.600 -0.033 0.000 1.045 934 K CA -0.365 55.900 56.287 -0.037 0.000 1.004 934 K CB 0.998 33.469 32.500 -0.048 0.000 1.376 934 K HN 0.279 nan 8.250 nan 0.000 0.460 935 R N 2.050 122.535 120.500 -0.024 0.000 2.229 935 R HA 0.144 4.485 4.340 0.001 0.000 0.328 935 R C -0.258 176.043 176.300 0.003 0.000 1.009 935 R CA -0.724 55.368 56.100 -0.013 0.000 0.864 935 R CB 1.083 31.375 30.300 -0.012 0.000 1.085 935 R HN 0.503 nan 8.270 nan 0.000 0.453 936 D N 2.232 122.640 120.400 0.014 0.000 2.382 936 D HA 0.134 4.775 4.640 0.001 0.000 0.245 936 D C -0.157 176.179 176.300 0.060 0.000 1.120 936 D CA 0.087 54.116 54.000 0.049 0.000 0.890 936 D CB 1.357 42.201 40.800 0.075 0.000 1.201 936 D HN 0.646 nan 8.370 nan 0.000 0.433 937 A N 2.570 125.438 122.820 0.080 0.000 2.630 937 A HA 0.203 4.524 4.320 0.001 0.000 0.287 937 A C 0.367 178.014 177.584 0.106 0.000 1.040 937 A CA -0.391 51.694 52.037 0.080 0.000 0.971 937 A CB 0.255 19.294 19.000 0.065 0.000 1.241 937 A HN 0.380 nan 8.150 nan 0.000 0.558 938 S N 1.332 117.103 115.700 0.119 0.000 2.572 938 S HA 0.379 4.850 4.470 0.001 0.000 0.279 938 S C 0.322 174.947 174.600 0.042 0.000 1.341 938 S CA 0.275 58.537 58.200 0.103 0.000 1.043 938 S CB 0.660 63.938 63.200 0.129 0.000 0.887 938 S HN 0.467 nan 8.310 nan 0.000 0.516 939 T N 5.013 119.568 114.554 0.001 0.000 2.749 939 T HA 0.493 4.843 4.350 0.001 0.000 0.287 939 T C -2.578 172.043 174.700 -0.132 0.000 0.970 939 T CA -1.315 60.769 62.100 -0.026 0.000 0.980 939 T CB 1.262 70.132 68.868 0.003 0.000 0.924 939 T HN 0.380 nan 8.240 nan 0.000 0.456 940 P HA 0.405 nan 4.420 nan 0.000 0.299 940 P C -0.395 176.789 177.300 -0.192 0.000 1.323 940 P CA -0.946 62.053 63.100 -0.168 0.000 0.896 940 P CB 1.324 32.968 31.700 -0.094 0.000 1.081 941 L N 3.444 124.491 121.223 -0.295 0.000 2.529 941 L HA 0.040 4.380 4.340 0.001 0.000 0.287 941 L C 0.924 177.801 176.870 0.010 0.000 1.241 941 L CA 0.434 55.102 54.840 -0.287 0.000 0.857 941 L CB -0.178 41.743 42.059 -0.230 0.000 1.113 941 L HN 0.329 nan 8.230 nan 0.000 0.504 942 R N 2.867 123.497 120.500 0.216 0.000 2.473 942 R HA -0.045 4.295 4.340 0.001 0.000 0.315 942 R C 1.648 177.994 176.300 0.076 0.000 0.972 942 R CA 0.661 56.857 56.100 0.161 0.000 1.047 942 R CB 0.213 30.617 30.300 0.173 0.000 0.932 942 R HN 1.033 nan 8.270 nan 0.000 0.411 943 S N 2.092 117.820 115.700 0.046 0.000 2.429 943 S HA -0.331 4.139 4.470 0.001 0.000 0.251 943 S C 1.727 176.341 174.600 0.023 0.000 1.104 943 S CA 2.454 60.669 58.200 0.024 0.000 1.130 943 S CB -0.717 62.493 63.200 0.017 0.000 1.000 943 S HN 0.771 nan 8.310 nan 0.000 0.449 944 T N 0.403 114.974 114.554 0.028 0.000 2.770 944 T HA 0.141 4.492 4.350 0.001 0.000 0.258 944 T C 0.889 175.613 174.700 0.039 0.000 1.039 944 T CA 0.609 62.725 62.100 0.026 0.000 1.143 944 T CB -0.675 68.203 68.868 0.018 0.000 0.866 944 T HN 0.587 nan 8.240 nan 0.000 0.428 945 E N 2.754 122.994 120.200 0.066 0.000 2.458 945 E HA 0.207 4.557 4.350 0.001 0.000 0.264 945 E C 0.082 176.713 176.600 0.052 0.000 1.097 945 E CA 0.162 56.615 56.400 0.088 0.000 0.973 945 E CB 0.212 29.999 29.700 0.144 0.000 0.963 945 E HN 0.626 nan 8.360 nan 0.000 0.451 946 N N -0.033 118.694 118.700 0.045 0.000 2.710 946 N HA 0.581 5.322 4.740 0.001 0.000 0.257 946 N C -0.497 175.013 175.510 0.001 0.000 1.327 946 N CA -0.143 52.913 53.050 0.009 0.000 0.861 946 N CB 1.543 40.033 38.487 0.006 0.000 1.532 946 N HN 0.578 nan 8.380 nan 0.000 0.499 947 G N -0.172 108.612 108.800 -0.027 0.000 2.513 947 G HA2 0.319 4.280 3.960 0.001 0.000 0.182 947 G HA3 0.319 4.280 3.960 0.001 0.000 0.182 947 G C -1.907 172.955 174.900 -0.064 0.000 1.190 947 G CA -0.557 44.516 45.100 -0.045 0.000 0.987 947 G HN 0.623 nan 8.290 nan 0.000 0.479 948 I N 0.809 121.325 120.570 -0.090 0.000 2.533 948 I HA 0.441 4.611 4.170 0.001 0.000 0.290 948 I C 0.352 176.402 176.117 -0.112 0.000 1.056 948 I CA -1.131 60.116 61.300 -0.088 0.000 1.057 948 I CB 2.210 40.166 38.000 -0.074 0.000 1.240 948 I HN 0.338 nan 8.210 nan 0.000 0.423 949 V N 3.943 123.799 119.914 -0.096 0.000 3.032 949 V HA -0.082 4.038 4.120 0.001 0.000 0.307 949 V C 0.507 176.548 176.094 -0.088 0.000 1.097 949 V CA 0.808 63.051 62.300 -0.094 0.000 1.191 949 V CB 0.918 32.692 31.823 -0.082 0.000 0.964 949 V HN 0.955 nan 8.190 nan 0.000 0.494 950 D N 0.550 120.903 120.400 -0.078 0.000 2.415 950 D HA 0.161 4.801 4.640 0.001 0.000 0.269 950 D C 0.293 176.596 176.300 0.005 0.000 1.099 950 D CA 0.159 54.127 54.000 -0.052 0.000 0.865 950 D CB 0.653 41.384 40.800 -0.115 0.000 1.359 950 D HN 0.636 nan 8.370 nan 0.000 0.506 951 Q N 0.558 120.360 119.800 0.002 0.000 2.593 951 Q HA 0.301 4.642 4.340 0.001 0.000 0.242 951 Q C -2.047 173.951 176.000 -0.002 0.000 0.944 951 Q CA -0.486 55.326 55.803 0.015 0.000 1.041 951 Q CB 1.249 30.021 28.738 0.056 0.000 1.588 951 Q HN -0.036 nan 8.270 nan 0.000 0.464 952 V N 3.804 123.705 119.914 -0.021 0.000 3.267 952 V HA 0.783 4.903 4.120 0.001 0.000 0.317 952 V C -0.380 175.696 176.094 -0.030 0.000 1.131 952 V CA -0.698 61.575 62.300 -0.045 0.000 1.031 952 V CB 1.982 33.763 31.823 -0.071 0.000 1.159 952 V HN 0.777 nan 8.190 nan 0.000 0.454 953 L N -0.318 120.878 121.223 -0.045 0.000 2.982 953 L HA 0.610 4.951 4.340 0.001 0.000 0.262 953 L C -1.759 175.100 176.870 -0.019 0.000 0.932 953 L CA -0.608 54.223 54.840 -0.015 0.000 1.058 953 L CB 1.368 43.437 42.059 0.017 0.000 1.665 953 L HN 0.316 nan 8.230 nan 0.000 0.499 954 V N 2.718 122.634 119.914 0.003 0.000 2.407 954 V HA 0.765 4.885 4.120 0.001 0.000 0.278 954 V C 0.420 176.575 176.094 0.102 0.000 1.037 954 V CA 0.203 62.522 62.300 0.031 0.000 0.900 954 V CB 1.461 33.296 31.823 0.021 0.000 0.983 954 V HN 0.971 nan 8.190 nan 0.000 0.459 955 T N 2.554 117.217 114.554 0.182 0.000 2.804 955 T HA 0.521 4.872 4.350 0.001 0.000 0.290 955 T C -0.250 174.603 174.700 0.254 0.000 1.099 955 T CA -0.523 61.712 62.100 0.225 0.000 1.011 955 T CB 2.114 71.162 68.868 0.300 0.000 1.291 955 T HN 0.618 nan 8.240 nan 0.000 0.523 956 T N 2.212 116.877 114.554 0.185 0.000 2.945 956 T HA 0.605 4.955 4.350 0.001 0.000 0.286 956 T C -0.488 174.247 174.700 0.058 0.000 1.025 956 T CA -0.773 61.410 62.100 0.137 0.000 1.039 956 T CB 0.964 69.887 68.868 0.093 0.000 1.068 956 T HN 0.565 nan 8.240 nan 0.000 0.497 957 N N 0.848 119.560 118.700 0.020 0.000 2.483 957 N HA 0.210 4.950 4.740 0.001 0.000 0.267 957 N C 1.004 176.481 175.510 -0.056 0.000 0.998 957 N CA -0.393 52.599 53.050 -0.097 0.000 0.918 957 N CB 0.795 39.219 38.487 -0.105 0.000 1.215 957 N HN 0.682 nan 8.380 nan 0.000 0.500 958 Q N 1.385 121.140 119.800 -0.075 0.000 2.669 958 Q HA -0.399 3.942 4.340 0.001 0.000 0.241 958 Q C 0.250 176.230 176.000 -0.033 0.000 1.160 958 Q CA 2.831 58.599 55.803 -0.059 0.000 1.028 958 Q CB -0.710 27.995 28.738 -0.055 0.000 0.923 958 Q HN 0.751 nan 8.270 nan 0.000 0.585 959 D N -1.093 119.293 120.400 -0.022 0.000 2.280 959 D HA -0.135 4.506 4.640 0.001 0.000 0.206 959 D C 1.332 177.635 176.300 0.004 0.000 0.988 959 D CA 1.708 55.703 54.000 -0.007 0.000 0.886 959 D CB -0.174 40.624 40.800 -0.004 0.000 0.914 959 D HN 0.695 nan 8.370 nan 0.000 0.473 960 G N -0.208 108.599 108.800 0.011 0.000 2.154 960 G HA2 -0.214 3.746 3.960 0.001 0.000 0.186 960 G HA3 -0.214 3.746 3.960 0.001 0.000 0.186 960 G C 0.162 175.092 174.900 0.050 0.000 1.000 960 G CA -0.108 45.010 45.100 0.029 0.000 0.664 960 G HN 0.259 nan 8.290 nan 0.000 0.513 961 L N 0.357 121.614 121.223 0.057 0.000 2.395 961 L HA 0.453 4.793 4.340 0.001 0.000 0.269 961 L C 0.961 177.921 176.870 0.149 0.000 1.133 961 L CA -0.613 54.275 54.840 0.080 0.000 0.812 961 L CB 0.659 42.759 42.059 0.069 0.000 1.125 961 L HN -0.049 nan 8.230 nan 0.000 0.452 962 K N 2.287 122.789 120.400 0.170 0.000 2.336 962 K HA 0.170 4.490 4.320 0.001 0.000 0.290 962 K C -0.847 176.019 176.600 0.443 0.000 1.067 962 K CA -0.033 56.432 56.287 0.296 0.000 0.962 962 K CB 0.240 32.953 32.500 0.356 0.000 1.008 962 K HN 0.254 nan 8.250 nan 0.000 0.467 963 F N 3.903 123.976 119.950 0.205 0.000 2.408 963 F HA 0.364 4.891 4.527 0.001 0.000 0.344 963 F C -0.573 175.313 175.800 0.143 0.000 1.112 963 F CA -0.653 57.454 58.000 0.179 0.000 1.096 963 F CB 0.933 40.001 39.000 0.113 0.000 1.129 963 F HN 0.086 nan 8.300 nan 0.000 0.486 964 V N 5.859 125.548 119.914 -0.375 0.000 2.851 964 V HA 0.402 4.522 4.120 0.001 0.000 0.307 964 V C -1.026 174.804 176.094 -0.439 0.000 1.129 964 V CA -1.123 60.962 62.300 -0.358 0.000 0.932 964 V CB 2.368 33.973 31.823 -0.365 0.000 1.024 964 V HN 0.666 nan 8.190 nan 0.000 0.426 965 K N 2.856 123.073 120.400 -0.305 0.000 2.378 965 K HA 0.830 5.150 4.320 0.001 0.000 0.252 965 K C -1.410 175.129 176.600 -0.101 0.000 0.931 965 K CA -0.670 55.498 56.287 -0.198 0.000 0.794 965 K CB 2.678 35.089 32.500 -0.148 0.000 1.181 965 K HN 0.432 nan 8.250 nan 0.000 0.425 966 V N 2.303 122.188 119.914 -0.047 0.000 2.769 966 V HA 0.531 4.651 4.120 0.001 0.000 0.312 966 V C -0.442 175.681 176.094 0.047 0.000 1.058 966 V CA -0.950 61.337 62.300 -0.022 0.000 0.952 966 V CB 1.836 33.625 31.823 -0.056 0.000 1.019 966 V HN 0.709 nan 8.190 nan 0.000 0.445 967 R N 2.027 122.543 120.500 0.027 0.000 2.532 967 R HA 0.732 5.073 4.340 0.001 0.000 0.297 967 R C -2.043 174.231 176.300 -0.042 0.000 0.984 967 R CA -0.354 55.767 56.100 0.036 0.000 0.884 967 R CB 2.061 32.413 30.300 0.086 0.000 1.182 967 R HN 0.555 nan 8.270 nan 0.000 0.442 968 V N 4.744 124.608 119.914 -0.084 0.000 2.483 968 V HA 0.534 4.654 4.120 0.001 0.000 0.295 968 V C -0.071 175.782 176.094 -0.401 0.000 1.035 968 V CA -0.751 61.442 62.300 -0.179 0.000 0.896 968 V CB 1.605 33.369 31.823 -0.098 0.000 0.986 968 V HN 0.666 nan 8.190 nan 0.000 0.447 969 R N 2.719 122.942 120.500 -0.462 0.000 2.589 969 R HA 0.744 5.085 4.340 0.001 0.000 0.293 969 R C -1.303 174.794 176.300 -0.339 0.000 0.963 969 R CA -0.171 55.503 56.100 -0.710 0.000 0.905 969 R CB 2.046 31.818 30.300 -0.879 0.000 1.144 969 R HN 0.797 nan 8.270 nan 0.000 0.459 970 T N 1.879 116.297 114.554 -0.226 0.000 2.956 970 T HA 0.261 4.612 4.350 0.001 0.000 0.312 970 T C -0.901 173.848 174.700 0.082 0.000 1.151 970 T CA -0.524 61.561 62.100 -0.025 0.000 1.024 970 T CB 1.900 70.803 68.868 0.057 0.000 1.140 970 T HN 0.474 nan 8.240 nan 0.000 0.473 971 T N 3.238 117.843 114.554 0.085 0.000 2.806 971 T HA 0.409 4.760 4.350 0.001 0.000 0.290 971 T C -0.152 174.558 174.700 0.018 0.000 0.966 971 T CA -0.572 61.582 62.100 0.091 0.000 1.060 971 T CB 0.501 69.432 68.868 0.106 0.000 0.927 971 T HN 0.331 nan 8.240 nan 0.000 0.485 972 K N 3.611 123.993 120.400 -0.030 0.000 2.449 972 K HA 0.426 4.747 4.320 0.001 0.000 0.257 972 K C -0.335 176.201 176.600 -0.106 0.000 0.989 972 K CA -0.425 55.830 56.287 -0.053 0.000 0.916 972 K CB 1.248 33.717 32.500 -0.051 0.000 1.136 972 K HN 0.539 nan 8.250 nan 0.000 0.439 973 I N 4.879 125.394 120.570 -0.091 0.000 2.575 973 I HA 0.130 4.300 4.170 0.001 0.000 0.285 973 I C -1.684 174.411 176.117 -0.036 0.000 1.085 973 I CA -2.089 59.159 61.300 -0.086 0.000 1.403 973 I CB 0.641 38.601 38.000 -0.066 0.000 1.409 973 I HN 0.314 nan 8.210 nan 0.000 0.557 974 P HA 0.047 nan 4.420 nan 0.000 0.267 974 P C -0.943 176.382 177.300 0.040 0.000 1.209 974 P CA 0.082 63.229 63.100 0.079 0.000 0.763 974 P CB 1.150 32.968 31.700 0.197 0.000 0.816 975 Q N 2.447 122.262 119.800 0.025 0.000 2.823 975 Q HA 0.366 4.706 4.340 0.001 0.000 0.230 975 Q C 1.251 177.261 176.000 0.016 0.000 1.026 975 Q CA -0.900 54.905 55.803 0.003 0.000 0.940 975 Q CB 1.293 30.019 28.738 -0.020 0.000 1.382 975 Q HN 0.214 nan 8.270 nan 0.000 0.502 976 I N -0.170 120.399 120.570 -0.003 0.000 2.146 976 I HA -0.092 4.079 4.170 0.001 0.000 0.231 976 I C 1.963 178.082 176.117 0.003 0.000 1.063 976 I CA 1.212 62.514 61.300 0.003 0.000 1.340 976 I CB -0.834 37.162 38.000 -0.006 0.000 1.100 976 I HN 0.945 nan 8.210 nan 0.000 0.403 977 G N 0.421 109.211 108.800 -0.017 0.000 2.605 977 G HA2 -0.241 3.720 3.960 0.001 0.000 0.222 977 G HA3 -0.241 3.720 3.960 0.001 0.000 0.222 977 G C 0.258 175.128 174.900 -0.051 0.000 1.092 977 G CA 0.552 45.633 45.100 -0.032 0.000 0.730 977 G HN 0.370 nan 8.290 nan 0.000 0.588 978 D N -0.358 120.009 120.400 -0.055 0.000 2.478 978 D HA 0.289 4.930 4.640 0.001 0.000 0.234 978 D C 0.508 176.704 176.300 -0.174 0.000 1.154 978 D CA 0.646 54.564 54.000 -0.136 0.000 0.874 978 D CB 0.716 41.440 40.800 -0.127 0.000 1.198 978 D HN 0.198 nan 8.370 nan 0.000 0.455 979 K N 1.457 121.637 120.400 -0.367 0.000 2.164 979 K HA 0.550 4.870 4.320 0.001 0.000 0.258 979 K C -1.323 174.845 176.600 -0.720 0.000 0.951 979 K CA -0.513 55.572 56.287 -0.337 0.000 0.844 979 K CB 0.707 33.084 32.500 -0.205 0.000 1.099 979 K HN 0.293 nan 8.250 nan 0.000 0.435 980 F N 0.847 120.736 119.950 -0.103 0.000 2.692 980 F HA 0.750 5.278 4.527 0.001 0.000 0.320 980 F C -0.638 175.193 175.800 0.052 0.000 1.123 980 F CA -0.734 57.207 58.000 -0.097 0.000 0.961 980 F CB 2.488 41.362 39.000 -0.209 0.000 1.383 980 F HN 0.609 nan 8.300 nan 0.000 0.483 981 A N 0.428 123.491 122.820 0.405 0.000 2.583 981 A HA 0.579 4.900 4.320 0.001 0.000 0.298 981 A C -0.629 177.022 177.584 0.112 0.000 1.055 981 A CA -0.283 51.946 52.037 0.321 0.000 0.714 981 A CB 0.765 19.847 19.000 0.137 0.000 1.277 981 A HN 0.952 nan 8.150 nan 0.000 0.406 982 S N 1.148 116.719 115.700 -0.214 0.000 2.484 982 S HA 0.476 4.947 4.470 0.001 0.000 0.256 982 S C 0.494 174.996 174.600 -0.164 0.000 1.223 982 S CA -0.025 57.837 58.200 -0.563 0.000 1.002 982 S CB 0.163 63.105 63.200 -0.431 0.000 1.043 982 S HN 0.696 nan 8.310 nan 0.000 0.517 983 R N 0.222 120.633 120.500 -0.148 0.000 2.694 983 R HA 0.345 4.686 4.340 0.001 0.000 0.334 983 R C -0.241 175.752 176.300 -0.511 0.000 1.143 983 R CA -0.127 55.806 56.100 -0.279 0.000 1.073 983 R CB -0.090 30.032 30.300 -0.296 0.000 1.366 983 R HN 0.595 nan 8.270 nan 0.000 0.577 984 H N -0.768 118.333 119.070 0.051 0.000 2.767 984 H HA 0.184 4.740 4.556 0.001 0.000 0.235 984 H C 0.760 176.122 175.328 0.058 0.000 1.256 984 H CA 0.076 56.166 56.048 0.069 0.000 0.957 984 H CB 1.354 31.190 29.762 0.125 0.000 2.117 984 H HN 0.459 nan 8.280 nan 0.000 0.602 985 G N 2.002 110.888 108.800 0.143 0.000 2.203 985 G HA2 -0.353 3.607 3.960 0.001 0.000 0.263 985 G HA3 -0.353 3.607 3.960 0.001 0.000 0.263 985 G C 0.683 175.680 174.900 0.162 0.000 1.012 985 G CA 0.470 45.684 45.100 0.189 0.000 0.749 985 G HN 0.352 nan 8.290 nan 0.000 0.512 986 Q N 0.636 120.523 119.800 0.145 0.000 2.642 986 Q HA 0.297 4.637 4.340 0.001 0.000 0.319 986 Q C 1.136 177.231 176.000 0.158 0.000 1.030 986 Q CA 0.102 55.977 55.803 0.121 0.000 0.943 986 Q CB -0.321 28.482 28.738 0.108 0.000 1.323 986 Q HN 0.768 nan 8.270 nan 0.000 0.419 987 K N -1.324 119.156 120.400 0.134 0.000 2.350 987 K HA 0.602 4.923 4.320 0.001 0.000 0.279 987 K C 0.115 176.777 176.600 0.103 0.000 1.027 987 K CA -0.170 56.188 56.287 0.119 0.000 0.969 987 K CB 0.951 33.493 32.500 0.070 0.000 0.954 987 K HN 0.183 nan 8.250 nan 0.000 0.474 988 G N 1.059 109.925 108.800 0.110 0.000 2.632 988 G HA2 0.439 4.399 3.960 0.001 0.000 0.292 988 G HA3 0.439 4.399 3.960 0.001 0.000 0.292 988 G C -1.152 173.798 174.900 0.084 0.000 1.465 988 G CA -0.749 44.400 45.100 0.081 0.000 0.824 988 G HN 0.761 nan 8.290 nan 0.000 0.509 989 T N -1.607 112.980 114.554 0.054 0.000 2.938 989 T HA 0.756 5.106 4.350 0.001 0.000 0.285 989 T C 0.437 175.179 174.700 0.070 0.000 1.028 989 T CA -0.795 61.342 62.100 0.061 0.000 1.005 989 T CB 1.287 70.159 68.868 0.006 0.000 1.157 989 T HN 0.497 nan 8.240 nan 0.000 0.550 990 I N 0.708 121.331 120.570 0.088 0.000 2.779 990 I HA 0.433 4.604 4.170 0.001 0.000 0.285 990 I C 1.472 177.616 176.117 0.043 0.000 1.134 990 I CA -0.113 61.222 61.300 0.059 0.000 1.398 990 I CB 0.875 38.914 38.000 0.066 0.000 1.404 990 I HN 1.008 nan 8.210 nan 0.000 0.587 991 G N 5.100 113.935 108.800 0.058 0.000 2.759 991 G HA2 0.348 4.308 3.960 0.001 0.000 0.197 991 G HA3 0.348 4.308 3.960 0.001 0.000 0.197 991 G C 0.023 174.997 174.900 0.123 0.000 1.067 991 G CA 0.229 45.383 45.100 0.091 0.000 0.742 991 G HN 0.500 nan 8.290 nan 0.000 0.651 992 I N 0.963 121.565 120.570 0.054 0.000 2.947 992 I HA 0.472 4.642 4.170 0.001 0.000 0.301 992 I C -1.480 174.524 176.117 -0.188 0.000 1.453 992 I CA -0.804 60.430 61.300 -0.109 0.000 0.984 992 I CB 2.432 40.253 38.000 -0.299 0.000 1.333 992 I HN 0.115 nan 8.210 nan 0.000 0.475 993 T N 1.348 115.738 114.554 -0.274 0.000 2.841 993 T HA 0.644 4.995 4.350 0.001 0.000 0.283 993 T C -1.089 173.441 174.700 -0.283 0.000 1.000 993 T CA -0.499 61.491 62.100 -0.184 0.000 0.977 993 T CB 1.251 70.064 68.868 -0.092 0.000 0.979 993 T HN 0.429 nan 8.240 nan 0.000 0.446 994 Y N 0.376 120.667 120.300 -0.016 0.000 2.621 994 Y HA 0.715 5.265 4.550 0.001 0.000 0.334 994 Y C 0.900 176.809 175.900 0.016 0.000 1.074 994 Y CA -1.435 56.666 58.100 0.001 0.000 1.149 994 Y CB 2.004 40.480 38.460 0.027 0.000 1.302 994 Y HN 0.506 nan 8.280 nan 0.000 0.501 995 R N -0.134 120.508 120.500 0.238 0.000 2.828 995 R HA 0.418 4.759 4.340 0.001 0.000 0.264 995 R C 0.932 177.314 176.300 0.138 0.000 1.022 995 R CA -0.814 55.370 56.100 0.141 0.000 1.021 995 R CB 1.308 31.670 30.300 0.104 0.000 1.163 995 R HN 0.697 nan 8.270 nan 0.000 0.494 996 R N 0.952 121.512 120.500 0.101 0.000 2.140 996 R HA -0.273 4.067 4.340 0.001 0.000 0.250 996 R C 1.447 177.819 176.300 0.119 0.000 1.150 996 R CA 2.142 58.301 56.100 0.099 0.000 0.966 996 R CB -0.186 30.153 30.300 0.066 0.000 0.869 996 R HN 0.567 nan 8.270 nan 0.000 0.445 997 E N 0.394 120.660 120.200 0.110 0.000 2.097 997 E HA -0.189 4.161 4.350 0.001 0.000 0.196 997 E C 1.442 178.135 176.600 0.156 0.000 1.000 997 E CA 1.640 58.114 56.400 0.125 0.000 0.804 997 E CB -0.168 29.599 29.700 0.112 0.000 0.740 997 E HN 0.400 nan 8.360 nan 0.000 0.454 998 D N -0.551 119.936 120.400 0.146 0.000 2.305 998 D HA 0.021 4.661 4.640 0.001 0.000 0.206 998 D C 0.511 176.774 176.300 -0.062 0.000 0.974 998 D CA 0.097 54.131 54.000 0.056 0.000 0.871 998 D CB -0.037 40.861 40.800 0.162 0.000 0.947 998 D HN 0.156 nan 8.370 nan 0.000 0.516 999 M N 2.330 121.966 119.600 0.060 0.000 2.248 999 M HA 0.125 4.606 4.480 0.001 0.000 0.337 999 M C -2.361 173.955 176.300 0.026 0.000 1.121 999 M CA -1.533 53.798 55.300 0.053 0.000 1.155 999 M CB 0.702 33.343 32.600 0.069 0.000 1.514 999 M HN -0.233 nan 8.290 nan 0.000 0.452 1000 P HA 0.218 nan 4.420 nan 0.000 0.281 1000 P C -1.531 175.697 177.300 -0.120 0.000 1.252 1000 P CA -0.169 62.705 63.100 -0.377 0.000 0.778 1000 P CB 0.095 31.274 31.700 -0.869 0.000 0.895 1001 F N -0.229 119.751 119.950 0.051 0.000 2.561 1001 F HA 0.714 5.241 4.527 0.001 0.000 0.321 1001 F C -0.401 175.542 175.800 0.239 0.000 1.065 1001 F CA -1.443 56.646 58.000 0.148 0.000 0.934 1001 F CB 1.258 40.326 39.000 0.113 0.000 1.215 1001 F HN 0.220 nan 8.300 nan 0.000 0.471 1002 T N 1.879 116.735 114.554 0.504 0.000 2.756 1002 T HA 0.518 4.868 4.350 0.001 0.000 0.290 1002 T C 1.161 176.111 174.700 0.417 0.000 0.985 1002 T CA -0.018 62.303 62.100 0.369 0.000 0.955 1002 T CB 0.781 69.698 68.868 0.082 0.000 0.930 1002 T HN 1.278 nan 8.240 nan 0.000 0.451 1003 A N 4.535 127.674 122.820 0.532 0.000 2.039 1003 A HA -0.270 4.050 4.320 0.001 0.000 0.228 1003 A C 2.164 179.833 177.584 0.142 0.000 1.379 1003 A CA 2.501 54.722 52.037 0.306 0.000 0.704 1003 A CB -0.925 18.259 19.000 0.308 0.000 0.831 1003 A HN 0.905 nan 8.150 nan 0.000 0.514 1004 E N -2.211 118.072 120.200 0.139 0.000 2.171 1004 E HA -0.105 4.246 4.350 0.001 0.000 0.197 1004 E C 1.761 178.388 176.600 0.045 0.000 0.997 1004 E CA 1.658 58.109 56.400 0.085 0.000 0.810 1004 E CB -0.364 29.397 29.700 0.102 0.000 0.738 1004 E HN 1.042 nan 8.360 nan 0.000 0.467 1005 G N 0.444 109.278 108.800 0.058 0.000 2.699 1005 G HA2 -0.222 3.738 3.960 0.001 0.000 0.198 1005 G HA3 -0.222 3.738 3.960 0.001 0.000 0.198 1005 G C 0.576 175.511 174.900 0.058 0.000 1.033 1005 G CA -0.038 45.065 45.100 0.006 0.000 0.728 1005 G HN 0.255 nan 8.290 nan 0.000 0.484 1006 I N 0.598 121.203 120.570 0.059 0.000 2.993 1006 I HA 0.455 4.626 4.170 0.001 0.000 0.301 1006 I C 0.484 176.759 176.117 0.264 0.000 1.229 1006 I CA -0.277 61.076 61.300 0.089 0.000 1.435 1006 I CB 0.658 38.603 38.000 -0.092 0.000 1.328 1006 I HN 0.172 nan 8.210 nan 0.000 0.584 1007 V N 5.960 126.071 119.914 0.329 0.000 3.012 1007 V HA 0.539 4.659 4.120 0.001 0.000 0.307 1007 V C -2.199 174.024 176.094 0.214 0.000 1.166 1007 V CA -1.587 60.905 62.300 0.319 0.000 0.974 1007 V CB 2.633 34.575 31.823 0.199 0.000 1.040 1007 V HN 0.850 nan 8.190 nan 0.000 0.428 1008 P HA 0.289 nan 4.420 nan 0.000 0.273 1008 P C -0.663 176.578 177.300 -0.098 0.000 1.250 1008 P CA 0.155 63.108 63.100 -0.245 0.000 0.793 1008 P CB 1.154 32.532 31.700 -0.537 0.000 1.011 1009 D N -0.922 119.416 120.400 -0.103 0.000 2.455 1009 D HA 0.163 4.804 4.640 0.001 0.000 0.228 1009 D C 0.214 176.444 176.300 -0.116 0.000 1.070 1009 D CA 0.706 54.667 54.000 -0.064 0.000 0.881 1009 D CB 0.427 41.209 40.800 -0.030 0.000 1.087 1009 D HN 0.106 nan 8.370 nan 0.000 0.498 1010 L N 0.508 121.630 121.223 -0.169 0.000 2.350 1010 L HA 0.501 4.841 4.340 0.001 0.000 0.260 1010 L C -1.147 175.606 176.870 -0.194 0.000 1.015 1010 L CA -0.746 53.964 54.840 -0.217 0.000 0.821 1010 L CB 2.464 44.329 42.059 -0.323 0.000 1.370 1010 L HN -0.163 nan 8.230 nan 0.000 0.416 1011 I N 4.520 125.001 120.570 -0.147 0.000 2.787 1011 I HA 0.286 4.457 4.170 0.001 0.000 0.275 1011 I C -0.238 175.849 176.117 -0.050 0.000 1.371 1011 I CA -0.317 60.917 61.300 -0.109 0.000 0.949 1011 I CB 0.781 38.743 38.000 -0.063 0.000 1.407 1011 I HN 0.455 nan 8.210 nan 0.000 0.557 1012 I N -0.180 120.366 120.570 -0.040 0.000 2.638 1012 I HA 0.366 4.537 4.170 0.001 0.000 0.286 1012 I C 0.360 176.482 176.117 0.009 0.000 1.088 1012 I CA -0.115 61.189 61.300 0.007 0.000 1.397 1012 I CB 0.858 38.895 38.000 0.062 0.000 1.414 1012 I HN 0.393 nan 8.210 nan 0.000 0.566 1013 N N 7.073 125.788 118.700 0.026 0.000 2.497 1013 N HA 0.154 4.895 4.740 0.001 0.000 0.268 1013 N C -1.487 174.008 175.510 -0.025 0.000 1.171 1013 N CA -1.580 51.483 53.050 0.023 0.000 0.948 1013 N CB 1.297 39.836 38.487 0.087 0.000 1.069 1013 N HN 0.516 nan 8.380 nan 0.000 0.460 1014 P HA -0.175 nan 4.420 nan 0.000 0.218 1014 P C 0.773 177.975 177.300 -0.164 0.000 1.146 1014 P CA 1.397 64.393 63.100 -0.173 0.000 0.813 1014 P CB 0.068 31.618 31.700 -0.250 0.000 0.778 1015 H N 0.373 119.427 119.070 -0.027 0.000 2.456 1015 H HA 0.064 4.620 4.556 0.001 0.000 0.296 1015 H C 1.465 176.770 175.328 -0.038 0.000 1.079 1015 H CA 1.225 57.257 56.048 -0.028 0.000 1.322 1015 H CB -0.517 29.235 29.762 -0.017 0.000 1.388 1015 H HN 0.155 nan 8.280 nan 0.000 0.538 1016 A N 0.757 123.615 122.820 0.062 0.000 2.416 1016 A HA 0.140 4.461 4.320 0.001 0.000 0.252 1016 A C 1.347 178.898 177.584 -0.055 0.000 1.353 1016 A CA 0.147 52.188 52.037 0.007 0.000 0.996 1016 A CB -0.484 18.517 19.000 0.002 0.000 0.961 1016 A HN 0.147 nan 8.150 nan 0.000 0.523 1017 I N -1.217 119.321 120.570 -0.055 0.000 3.746 1017 I HA 0.108 4.278 4.170 0.001 0.000 0.262 1017 I C -1.005 175.074 176.117 -0.063 0.000 1.153 1017 I CA -0.151 61.093 61.300 -0.093 0.000 1.395 1017 I CB -1.530 36.392 38.000 -0.129 0.000 1.589 1017 I HN 0.039 nan 8.210 nan 0.000 0.441 1018 P HA -0.177 nan 4.420 nan 0.000 0.214 1018 P C 1.936 179.223 177.300 -0.022 0.000 1.172 1018 P CA 2.851 65.936 63.100 -0.024 0.000 0.925 1018 P CB -0.070 31.630 31.700 -0.000 0.000 0.793 1019 S N -1.158 114.533 115.700 -0.015 0.000 2.382 1019 S HA -0.135 4.336 4.470 0.001 0.000 0.228 1019 S C 1.940 176.520 174.600 -0.033 0.000 1.027 1019 S CA 0.871 59.059 58.200 -0.020 0.000 0.991 1019 S CB -0.902 62.289 63.200 -0.014 0.000 0.823 1019 S HN -0.016 nan 8.310 nan 0.000 0.469 1020 R N 1.006 121.482 120.500 -0.040 0.000 2.115 1020 R HA 0.208 4.549 4.340 0.001 0.000 0.226 1020 R C 0.887 177.156 176.300 -0.052 0.000 1.100 1020 R CA 0.569 56.636 56.100 -0.054 0.000 0.980 1020 R CB -1.023 29.242 30.300 -0.059 0.000 0.875 1020 R HN 0.542 nan 8.270 nan 0.000 0.445 1021 M N 1.216 120.788 119.600 -0.046 0.000 2.303 1021 M HA -0.175 4.306 4.480 0.001 0.000 0.189 1021 M C -0.183 176.102 176.300 -0.025 0.000 0.688 1021 M CA 0.959 56.238 55.300 -0.034 0.000 0.479 1021 M CB -1.696 30.890 32.600 -0.023 0.000 1.094 1021 M HN 0.048 nan 8.290 nan 0.000 0.907 1022 T N -0.470 114.057 114.554 -0.044 0.000 3.154 1022 T HA 0.513 4.863 4.350 0.001 0.000 0.381 1022 T C 0.766 175.423 174.700 -0.072 0.000 1.368 1022 T CA -0.623 61.458 62.100 -0.032 0.000 1.155 1022 T CB 0.428 69.272 68.868 -0.039 0.000 1.120 1022 T HN 0.239 nan 8.240 nan 0.000 0.570 1023 V N 3.813 123.714 119.914 -0.022 0.000 2.488 1023 V HA 0.050 4.171 4.120 0.001 0.000 0.246 1023 V C 2.990 179.051 176.094 -0.055 0.000 1.046 1023 V CA 1.672 63.947 62.300 -0.042 0.000 1.053 1023 V CB -1.059 30.764 31.823 0.000 0.000 0.679 1023 V HN 0.872 nan 8.190 nan 0.000 0.458 1024 A N -0.067 122.766 122.820 0.022 0.000 1.958 1024 A HA -0.350 3.970 4.320 0.001 0.000 0.221 1024 A C 2.236 179.783 177.584 -0.061 0.000 1.178 1024 A CA 2.308 54.420 52.037 0.125 0.000 0.642 1024 A CB -0.955 18.289 19.000 0.406 0.000 0.816 1024 A HN 0.716 nan 8.150 nan 0.000 0.453 1025 H N -0.039 118.567 119.070 -0.774 0.000 2.352 1025 H HA -0.072 4.484 4.556 0.001 0.000 0.299 1025 H C 1.903 177.135 175.328 -0.161 0.000 1.097 1025 H CA 1.917 57.457 56.048 -0.848 0.000 1.311 1025 H CB -0.284 29.009 29.762 -0.782 0.000 1.377 1025 H HN 0.453 nan 8.280 nan 0.000 0.504 1026 L N 0.168 121.423 121.223 0.054 0.000 2.017 1026 L HA -0.173 4.168 4.340 0.001 0.000 0.208 1026 L C 2.895 179.855 176.870 0.150 0.000 1.073 1026 L CA 1.071 55.944 54.840 0.055 0.000 0.745 1026 L CB -0.301 41.661 42.059 -0.162 0.000 0.894 1026 L HN 0.255 nan 8.230 nan 0.000 0.432 1027 I N -0.242 120.360 120.570 0.055 0.000 2.252 1027 I HA -0.311 3.860 4.170 0.001 0.000 0.245 1027 I C 2.556 178.817 176.117 0.239 0.000 1.102 1027 I CA 1.387 62.715 61.300 0.047 0.000 1.385 1027 I CB -0.366 37.462 38.000 -0.287 0.000 1.064 1027 I HN 0.377 nan 8.210 nan 0.000 0.414 1028 E N 0.543 120.925 120.200 0.303 0.000 2.171 1028 E HA -0.316 4.034 4.350 0.001 0.000 0.197 1028 E C 2.347 179.032 176.600 0.142 0.000 0.997 1028 E CA 1.737 58.282 56.400 0.242 0.000 0.810 1028 E CB -0.158 29.638 29.700 0.159 0.000 0.738 1028 E HN 0.578 nan 8.360 nan 0.000 0.467 1029 C N -0.178 119.208 119.300 0.142 0.000 2.462 1029 C HA -0.084 4.376 4.460 0.001 0.000 0.278 1029 C C 2.559 177.573 174.990 0.041 0.000 1.253 1029 C CA 0.739 59.809 59.018 0.085 0.000 1.713 1029 C CB -1.157 26.677 27.740 0.157 0.000 2.049 1029 C HN 0.598 nan 8.230 nan 0.000 0.477 1030 L N 0.909 122.211 121.223 0.132 0.000 1.971 1030 L HA -0.112 4.229 4.340 0.001 0.000 0.215 1030 L C 2.384 179.297 176.870 0.072 0.000 1.072 1030 L CA 2.229 57.122 54.840 0.089 0.000 0.758 1030 L CB -1.141 41.017 42.059 0.165 0.000 0.889 1030 L HN 0.455 nan 8.230 nan 0.000 0.433 1031 L N -1.400 119.898 121.223 0.125 0.000 2.129 1031 L HA -0.222 4.118 4.340 0.001 0.000 0.212 1031 L C 2.308 179.220 176.870 0.071 0.000 1.087 1031 L CA 2.120 57.040 54.840 0.133 0.000 0.757 1031 L CB -0.848 41.365 42.059 0.256 0.000 0.896 1031 L HN 0.274 nan 8.230 nan 0.000 0.434 1032 S N -1.231 114.497 115.700 0.047 0.000 2.470 1032 S HA -0.052 4.418 4.470 0.001 0.000 0.225 1032 S C 1.814 176.393 174.600 -0.034 0.000 1.006 1032 S CA 0.589 58.791 58.200 0.005 0.000 0.934 1032 S CB -0.136 63.069 63.200 0.010 0.000 0.778 1032 S HN 0.466 nan 8.310 nan 0.000 0.517 1033 K N 1.108 121.475 120.400 -0.055 0.000 2.432 1033 K HA 0.090 4.411 4.320 0.001 0.000 0.196 1033 K C 1.355 177.887 176.600 -0.114 0.000 1.038 1033 K CA 0.404 56.618 56.287 -0.121 0.000 0.986 1033 K CB 0.135 32.531 32.500 -0.173 0.000 0.782 1033 K HN 0.142 nan 8.250 nan 0.000 0.485 1034 V N 0.304 120.183 119.914 -0.057 0.000 2.423 1034 V HA -0.013 4.108 4.120 0.001 0.000 0.233 1034 V C 1.945 178.000 176.094 -0.065 0.000 1.067 1034 V CA 1.456 63.727 62.300 -0.049 0.000 1.073 1034 V CB -0.193 31.649 31.823 0.032 0.000 0.715 1034 V HN 0.352 nan 8.190 nan 0.000 0.485 1035 A N -0.077 122.731 122.820 -0.019 0.000 2.204 1035 A HA -0.158 4.162 4.320 0.001 0.000 0.220 1035 A C 2.138 179.696 177.584 -0.043 0.000 1.165 1035 A CA 2.179 54.205 52.037 -0.018 0.000 0.671 1035 A CB -0.617 18.378 19.000 -0.008 0.000 0.792 1035 A HN 0.646 nan 8.150 nan 0.000 0.473 1036 A N -0.716 122.064 122.820 -0.066 0.000 1.911 1036 A HA 0.233 4.553 4.320 0.001 0.000 0.212 1036 A C 2.072 179.602 177.584 -0.091 0.000 1.189 1036 A CA 1.016 53.010 52.037 -0.071 0.000 0.639 1036 A CB -0.318 18.636 19.000 -0.077 0.000 0.839 1036 A HN 0.435 nan 8.150 nan 0.000 0.449 1037 L N 0.173 121.301 121.223 -0.159 0.000 2.068 1037 L HA -0.110 4.230 4.340 0.001 0.000 0.204 1037 L C 3.005 179.760 176.870 -0.192 0.000 1.076 1037 L CA 1.627 56.315 54.840 -0.254 0.000 0.753 1037 L CB -0.406 41.309 42.059 -0.574 0.000 0.910 1037 L HN 0.580 nan 8.230 nan 0.000 0.439 1038 S N -0.353 115.264 115.700 -0.139 0.000 2.414 1038 S HA 0.007 4.477 4.470 0.001 0.000 0.227 1038 S C 1.576 176.194 174.600 0.030 0.000 1.022 1038 S CA 0.598 58.828 58.200 0.050 0.000 0.958 1038 S CB -0.077 63.194 63.200 0.118 0.000 0.797 1038 S HN 0.541 nan 8.310 nan 0.000 0.493 1039 G N 1.526 110.323 108.800 -0.005 0.000 2.198 1039 G HA2 -0.199 3.761 3.960 0.001 0.000 0.257 1039 G HA3 -0.199 3.761 3.960 0.001 0.000 0.257 1039 G C -0.295 174.607 174.900 0.003 0.000 1.042 1039 G CA 0.076 45.173 45.100 -0.005 0.000 0.791 1039 G HN 0.542 nan 8.290 nan 0.000 0.502 1040 N N 0.808 119.513 118.700 0.009 0.000 2.696 1040 N HA 0.199 4.940 4.740 0.001 0.000 0.246 1040 N C 0.247 175.759 175.510 0.004 0.000 1.057 1040 N CA -0.402 52.657 53.050 0.014 0.000 0.867 1040 N CB 1.046 39.554 38.487 0.035 0.000 1.141 1040 N HN 0.572 nan 8.380 nan 0.000 0.517 1041 E N 1.539 121.731 120.200 -0.014 0.000 3.095 1041 E HA -0.144 4.206 4.350 0.001 0.000 0.235 1041 E C 0.441 177.031 176.600 -0.017 0.000 0.938 1041 E CA -0.065 56.318 56.400 -0.029 0.000 0.913 1041 E CB -0.335 29.340 29.700 -0.042 0.000 0.897 1041 E HN 0.528 nan 8.360 nan 0.000 0.486 1042 G N 4.431 113.228 108.800 -0.004 0.000 2.150 1042 G HA2 -0.165 3.796 3.960 0.001 0.000 0.250 1042 G HA3 -0.165 3.796 3.960 0.001 0.000 0.250 1042 G C -0.151 174.753 174.900 0.006 0.000 1.179 1042 G CA -0.127 44.988 45.100 0.024 0.000 0.934 1042 G HN 0.634 nan 8.290 nan 0.000 0.453 1043 D N 1.369 121.791 120.400 0.037 0.000 2.351 1043 D HA 0.455 5.095 4.640 0.001 0.000 0.251 1043 D C 0.828 177.142 176.300 0.024 0.000 1.137 1043 D CA 0.410 54.420 54.000 0.017 0.000 0.879 1043 D CB 1.156 41.994 40.800 0.064 0.000 1.181 1043 D HN 0.313 nan 8.370 nan 0.000 0.448 1044 A N 2.661 125.366 122.820 -0.191 0.000 2.456 1044 A HA 0.223 4.544 4.320 0.001 0.000 0.237 1044 A C 0.864 178.148 177.584 -0.499 0.000 1.217 1044 A CA -0.290 51.300 52.037 -0.746 0.000 0.962 1044 A CB -0.026 18.282 19.000 -1.154 0.000 1.079 1044 A HN 0.489 nan 8.150 nan 0.000 0.536 1045 S N 2.332 117.947 115.700 -0.141 0.000 2.605 1045 S HA 0.042 4.512 4.470 0.001 0.000 0.309 1045 S C -1.421 173.246 174.600 0.111 0.000 1.257 1045 S CA 0.054 58.256 58.200 0.003 0.000 1.033 1045 S CB 0.157 63.422 63.200 0.109 0.000 0.742 1045 S HN 0.339 nan 8.310 nan 0.000 0.487 1046 P HA -0.173 nan 4.420 nan 0.000 0.224 1046 P C -0.120 177.143 177.300 -0.062 0.000 1.094 1046 P CA 1.165 64.149 63.100 -0.194 0.000 0.964 1046 P CB -0.024 31.493 31.700 -0.306 0.000 0.595 1047 F N -1.064 119.026 119.950 0.233 0.000 2.413 1047 F HA 0.506 5.033 4.527 0.001 0.000 0.359 1047 F C 1.009 176.957 175.800 0.248 0.000 1.122 1047 F CA -0.458 57.657 58.000 0.192 0.000 1.160 1047 F CB -0.871 38.184 39.000 0.092 0.000 1.146 1047 F HN 0.081 nan 8.300 nan 0.000 0.514 1048 T N -1.998 112.807 114.554 0.418 0.000 2.647 1048 T HA 0.343 4.693 4.350 0.001 0.000 0.295 1048 T C -0.402 174.460 174.700 0.270 0.000 1.126 1048 T CA -0.945 61.373 62.100 0.363 0.000 1.040 1048 T CB 1.667 70.757 68.868 0.371 0.000 1.472 1048 T HN 0.389 nan 8.240 nan 0.000 0.500 1049 D N 0.804 121.340 120.400 0.227 0.000 2.881 1049 D HA 0.358 4.999 4.640 0.001 0.000 0.240 1049 D C -0.075 176.317 176.300 0.153 0.000 1.249 1049 D CA 0.093 54.195 54.000 0.170 0.000 0.839 1049 D CB -0.043 40.842 40.800 0.142 0.000 1.042 1049 D HN 0.419 nan 8.370 nan 0.000 0.475 1050 I N 0.234 120.906 120.570 0.170 0.000 2.707 1050 I HA 0.303 4.473 4.170 0.001 0.000 0.309 1050 I C 0.689 176.853 176.117 0.078 0.000 1.001 1050 I CA -0.501 60.879 61.300 0.133 0.000 1.129 1050 I CB 2.169 40.275 38.000 0.176 0.000 1.308 1050 I HN -0.099 nan 8.210 nan 0.000 0.466 1051 T N -0.357 114.218 114.554 0.035 0.000 2.816 1051 T HA 0.344 4.694 4.350 0.001 0.000 0.299 1051 T C 0.500 175.177 174.700 -0.039 0.000 1.230 1051 T CA -0.730 61.367 62.100 -0.005 0.000 1.007 1051 T CB 1.542 70.428 68.868 0.030 0.000 1.289 1051 T HN 0.171 nan 8.240 nan 0.000 0.508 1052 V N 0.745 120.623 119.914 -0.060 0.000 2.427 1052 V HA -0.069 4.052 4.120 0.001 0.000 0.248 1052 V C 2.736 178.835 176.094 0.008 0.000 1.051 1052 V CA 1.504 63.776 62.300 -0.046 0.000 1.048 1052 V CB -0.882 30.911 31.823 -0.049 0.000 0.666 1052 V HN 0.852 nan 8.190 nan 0.000 0.456 1053 E N 1.049 121.259 120.200 0.017 0.000 2.110 1053 E HA -0.145 4.205 4.350 0.001 0.000 0.193 1053 E C 2.359 178.981 176.600 0.037 0.000 0.988 1053 E CA 1.502 57.920 56.400 0.030 0.000 0.804 1053 E CB -0.565 29.153 29.700 0.029 0.000 0.745 1053 E HN 0.628 nan 8.360 nan 0.000 0.458 1054 G N 0.953 109.776 108.800 0.037 0.000 2.402 1054 G HA2 -0.182 3.779 3.960 0.001 0.000 0.216 1054 G HA3 -0.182 3.779 3.960 0.001 0.000 0.216 1054 G C 1.723 176.657 174.900 0.057 0.000 1.162 1054 G CA 0.314 45.443 45.100 0.048 0.000 0.777 1054 G HN 0.185 nan 8.290 nan 0.000 0.539 1055 I N 0.859 121.461 120.570 0.053 0.000 2.500 1055 I HA -0.099 4.071 4.170 0.001 0.000 0.252 1055 I C 2.897 179.061 176.117 0.079 0.000 1.142 1055 I CA 0.587 61.929 61.300 0.069 0.000 1.451 1055 I CB -0.088 37.950 38.000 0.064 0.000 1.093 1055 I HN 0.097 nan 8.210 nan 0.000 0.430 1056 S N 1.029 116.772 115.700 0.071 0.000 2.359 1056 S HA -0.210 4.260 4.470 0.001 0.000 0.224 1056 S C 1.930 176.577 174.600 0.078 0.000 1.035 1056 S CA 1.424 59.672 58.200 0.080 0.000 1.018 1056 S CB -0.195 63.047 63.200 0.069 0.000 0.876 1056 S HN 0.385 nan 8.310 nan 0.000 0.448 1057 K N 0.860 121.298 120.400 0.064 0.000 2.032 1057 K HA -0.045 4.275 4.320 0.001 0.000 0.209 1057 K C 2.057 178.698 176.600 0.068 0.000 1.048 1057 K CA 1.121 57.442 56.287 0.056 0.000 0.927 1057 K CB -0.403 32.124 32.500 0.045 0.000 0.712 1057 K HN 0.274 nan 8.250 nan 0.000 0.441 1058 L N 0.539 121.813 121.223 0.085 0.000 2.083 1058 L HA -0.183 4.157 4.340 0.001 0.000 0.209 1058 L C 2.347 179.327 176.870 0.182 0.000 1.083 1058 L CA 0.587 55.496 54.840 0.115 0.000 0.752 1058 L CB -0.237 41.895 42.059 0.121 0.000 0.899 1058 L HN 0.165 nan 8.230 nan 0.000 0.433 1059 L N -0.457 120.865 121.223 0.164 0.000 2.291 1059 L HA -0.125 4.216 4.340 0.001 0.000 0.214 1059 L C 2.508 179.496 176.870 0.197 0.000 1.120 1059 L CA 1.244 56.202 54.840 0.198 0.000 0.799 1059 L CB -0.363 41.780 42.059 0.142 0.000 0.925 1059 L HN 0.057 nan 8.230 nan 0.000 0.446 1060 R N 0.213 120.790 120.500 0.129 0.000 2.119 1060 R HA -0.054 4.286 4.340 0.001 0.000 0.222 1060 R C 1.968 178.299 176.300 0.053 0.000 1.088 1060 R CA 1.280 57.432 56.100 0.087 0.000 0.984 1060 R CB -0.353 29.980 30.300 0.056 0.000 0.884 1060 R HN 0.454 nan 8.270 nan 0.000 0.447 1061 E N -0.815 119.406 120.200 0.035 0.000 2.401 1061 E HA -0.158 4.192 4.350 0.001 0.000 0.199 1061 E C 0.582 177.079 176.600 -0.173 0.000 1.023 1061 E CA 0.643 57.000 56.400 -0.071 0.000 0.859 1061 E CB 0.007 29.644 29.700 -0.105 0.000 0.780 1061 E HN 0.502 nan 8.360 nan 0.000 0.523 1062 H N -1.698 117.383 119.070 0.019 0.000 2.672 1062 H HA 0.161 4.717 4.556 0.001 0.000 0.277 1062 H C 1.359 176.613 175.328 -0.123 0.000 1.074 1062 H CA 0.713 56.758 56.048 -0.005 0.000 1.173 1062 H CB 1.473 31.287 29.762 0.087 0.000 1.558 1062 H HN 0.327 nan 8.280 nan 0.000 0.539 1063 G N 0.711 109.498 108.800 -0.022 0.000 2.299 1063 G HA2 -0.285 3.675 3.960 0.001 0.000 0.237 1063 G HA3 -0.285 3.675 3.960 0.001 0.000 0.237 1063 G C -0.030 174.790 174.900 -0.133 0.000 1.027 1063 G CA -0.068 44.949 45.100 -0.139 0.000 0.619 1063 G HN 0.370 nan 8.290 nan 0.000 0.513 1064 Y N 1.528 121.854 120.300 0.044 0.000 2.304 1064 Y HA 0.516 5.066 4.550 0.001 0.000 0.327 1064 Y C 1.032 176.952 175.900 0.034 0.000 1.209 1064 Y CA -0.174 57.938 58.100 0.020 0.000 1.299 1064 Y CB 0.646 39.101 38.460 -0.010 0.000 1.249 1064 Y HN 0.401 nan 8.280 nan 0.000 0.519 1065 Q N 1.394 121.319 119.800 0.209 0.000 2.437 1065 Q HA -0.155 4.185 4.340 0.001 0.000 0.363 1065 Q C 0.843 176.931 176.000 0.146 0.000 1.206 1065 Q CA 0.905 56.794 55.803 0.144 0.000 1.070 1065 Q CB 0.566 29.400 28.738 0.159 0.000 1.208 1065 Q HN 0.759 nan 8.270 nan 0.000 0.423 1066 S N 2.506 118.269 115.700 0.106 0.000 2.603 1066 S HA 0.124 4.595 4.470 0.001 0.000 0.220 1066 S C 0.610 175.291 174.600 0.134 0.000 0.967 1066 S CA 0.046 58.309 58.200 0.105 0.000 0.920 1066 S CB 0.236 63.476 63.200 0.067 0.000 0.773 1066 S HN 0.624 nan 8.310 nan 0.000 0.529 1067 R N 0.233 120.846 120.500 0.188 0.000 2.476 1067 R HA 0.419 4.759 4.340 0.001 0.000 0.276 1067 R C 1.588 178.206 176.300 0.529 0.000 0.941 1067 R CA 0.427 56.718 56.100 0.317 0.000 1.088 1067 R CB -0.155 30.289 30.300 0.241 0.000 1.216 1067 R HN 0.527 nan 8.270 nan 0.000 0.533 1068 G N 0.839 109.840 108.800 0.335 0.000 2.490 1068 G HA2 -0.300 3.660 3.960 0.001 0.000 0.214 1068 G HA3 -0.300 3.660 3.960 0.001 0.000 0.214 1068 G C 0.275 175.256 174.900 0.136 0.000 1.151 1068 G CA -0.193 44.977 45.100 0.117 0.000 0.684 1068 G HN 0.143 nan 8.290 nan 0.000 0.518 1069 F N 2.183 122.188 119.950 0.091 0.000 2.689 1069 F HA 0.411 4.938 4.527 0.001 0.000 0.312 1069 F C 1.286 177.103 175.800 0.028 0.000 1.119 1069 F CA 1.169 59.221 58.000 0.086 0.000 1.329 1069 F CB 0.142 39.204 39.000 0.104 0.000 1.024 1069 F HN 0.449 nan 8.300 nan 0.000 0.643 1070 E N -1.165 119.171 120.200 0.227 0.000 2.416 1070 E HA 0.453 4.803 4.350 0.001 0.000 0.280 1070 E C -1.592 175.061 176.600 0.089 0.000 1.055 1070 E CA -0.908 55.563 56.400 0.118 0.000 0.825 1070 E CB 2.212 31.918 29.700 0.009 0.000 1.312 1070 E HN 0.190 nan 8.360 nan 0.000 0.452 1071 V N 1.141 121.079 119.914 0.040 0.000 3.036 1071 V HA 0.539 4.659 4.120 0.001 0.000 0.308 1071 V C 0.155 176.190 176.094 -0.099 0.000 1.070 1071 V CA -0.079 62.184 62.300 -0.060 0.000 1.056 1071 V CB 0.911 32.681 31.823 -0.089 0.000 1.084 1071 V HN 0.612 nan 8.190 nan 0.000 0.471 1072 M N 1.375 120.796 119.600 -0.298 0.000 2.534 1072 M HA 0.468 4.949 4.480 0.001 0.000 0.280 1072 M C -2.170 173.745 176.300 -0.641 0.000 1.217 1072 M CA -0.437 54.681 55.300 -0.304 0.000 0.893 1072 M CB 2.866 35.375 32.600 -0.152 0.000 1.730 1072 M HN 0.570 nan 8.290 nan 0.000 0.483 1073 Y N 0.599 120.520 120.300 -0.633 0.000 2.352 1073 Y HA 0.328 4.878 4.550 0.001 0.000 0.339 1073 Y C 0.422 175.885 175.900 -0.727 0.000 0.992 1073 Y CA -1.108 56.558 58.100 -0.724 0.000 1.100 1073 Y CB 0.873 38.826 38.460 -0.845 0.000 1.192 1073 Y HN 0.530 nan 8.280 nan 0.000 0.458 1074 N N 2.372 120.948 118.700 -0.206 0.000 2.394 1074 N HA -0.068 4.673 4.740 0.001 0.000 0.288 1074 N C 1.304 176.782 175.510 -0.053 0.000 1.272 1074 N CA 0.799 53.802 53.050 -0.077 0.000 1.004 1074 N CB 0.670 39.161 38.487 0.007 0.000 1.393 1074 N HN 1.096 nan 8.380 nan 0.000 0.488 1075 G N 3.177 111.942 108.800 -0.059 0.000 2.785 1075 G HA2 -0.318 3.642 3.960 0.001 0.000 0.225 1075 G HA3 -0.318 3.642 3.960 0.001 0.000 0.225 1075 G C 1.143 176.104 174.900 0.102 0.000 1.093 1075 G CA 1.042 46.192 45.100 0.083 0.000 0.740 1075 G HN 0.714 nan 8.290 nan 0.000 0.629 1076 H N 0.256 119.372 119.070 0.077 0.000 2.333 1076 H HA -0.018 4.538 4.556 0.001 0.000 0.302 1076 H C 2.935 178.300 175.328 0.062 0.000 1.075 1076 H CA 1.959 58.030 56.048 0.039 0.000 1.348 1076 H CB -0.735 29.014 29.762 -0.021 0.000 1.393 1076 H HN 0.558 nan 8.280 nan 0.000 0.509 1077 T N -3.729 110.936 114.554 0.185 0.000 3.004 1077 T HA 0.317 4.667 4.350 0.001 0.000 0.243 1077 T C 1.849 176.640 174.700 0.152 0.000 1.020 1077 T CA 0.924 63.107 62.100 0.139 0.000 1.145 1077 T CB 0.090 69.023 68.868 0.108 0.000 0.876 1077 T HN 0.473 nan 8.240 nan 0.000 0.449 1078 G N 1.411 110.314 108.800 0.171 0.000 2.192 1078 G HA2 -0.186 3.774 3.960 0.001 0.000 0.193 1078 G HA3 -0.186 3.774 3.960 0.001 0.000 0.193 1078 G C 0.015 175.066 174.900 0.253 0.000 0.999 1078 G CA 0.080 45.330 45.100 0.249 0.000 0.659 1078 G HN 0.804 nan 8.290 nan 0.000 0.503 1079 K N 1.260 121.766 120.400 0.177 0.000 2.276 1079 K HA 0.445 4.765 4.320 0.001 0.000 0.259 1079 K C 0.836 177.517 176.600 0.136 0.000 1.001 1079 K CA -0.246 56.146 56.287 0.175 0.000 0.927 1079 K CB 0.326 32.882 32.500 0.093 0.000 0.969 1079 K HN 0.232 nan 8.250 nan 0.000 0.490 1080 K N 1.770 122.202 120.400 0.055 0.000 2.149 1080 K HA 0.177 4.497 4.320 0.001 0.000 0.245 1080 K C -0.351 176.136 176.600 -0.188 0.000 1.024 1080 K CA -0.270 55.847 56.287 -0.283 0.000 0.899 1080 K CB 0.394 32.727 32.500 -0.279 0.000 1.038 1080 K HN 0.413 nan 8.250 nan 0.000 0.496 1081 L N 2.829 123.903 121.223 -0.249 0.000 2.287 1081 L HA 0.164 4.504 4.340 0.001 0.000 0.287 1081 L C 1.232 178.040 176.870 -0.102 0.000 1.022 1081 L CA -0.635 54.122 54.840 -0.139 0.000 0.814 1081 L CB 1.309 43.279 42.059 -0.149 0.000 1.217 1081 L HN 0.738 nan 8.230 nan 0.000 0.420 1082 M N 3.367 122.934 119.600 -0.054 0.000 2.124 1082 M HA -0.205 4.275 4.480 0.001 0.000 0.253 1082 M C 0.875 177.159 176.300 -0.026 0.000 1.077 1082 M CA 1.944 57.224 55.300 -0.033 0.000 1.085 1082 M CB -0.122 32.470 32.600 -0.012 0.000 1.320 1082 M HN 0.697 nan 8.290 nan 0.000 0.404 1083 A N -0.799 122.011 122.820 -0.017 0.000 2.256 1083 A HA 0.616 4.936 4.320 0.001 0.000 0.318 1083 A C -0.450 177.142 177.584 0.013 0.000 1.103 1083 A CA -0.761 51.284 52.037 0.013 0.000 0.860 1083 A CB 0.535 19.552 19.000 0.029 0.000 1.182 1083 A HN 0.457 nan 8.150 nan 0.000 0.501 1084 Q N -0.479 119.375 119.800 0.090 0.000 2.215 1084 Q HA 0.671 5.012 4.340 0.001 0.000 0.256 1084 Q C -1.137 174.942 176.000 0.133 0.000 0.972 1084 Q CA -0.210 55.670 55.803 0.127 0.000 0.889 1084 Q CB 1.342 30.221 28.738 0.236 0.000 1.281 1084 Q HN 0.561 nan 8.270 nan 0.000 0.456 1085 I N 0.581 121.188 120.570 0.062 0.000 2.607 1085 I HA 0.269 4.439 4.170 0.001 0.000 0.305 1085 I C -0.504 175.558 176.117 -0.090 0.000 0.995 1085 I CA -0.641 60.641 61.300 -0.031 0.000 1.148 1085 I CB 0.786 38.750 38.000 -0.059 0.000 1.323 1085 I HN 0.524 nan 8.210 nan 0.000 0.461 1086 F N 5.881 125.604 119.950 -0.378 0.000 2.605 1086 F HA 0.352 4.880 4.527 0.001 0.000 0.352 1086 F C -0.311 175.424 175.800 -0.109 0.000 1.236 1086 F CA -0.489 57.258 58.000 -0.422 0.000 1.267 1086 F CB -0.429 38.269 39.000 -0.505 0.000 1.632 1086 F HN 0.224 nan 8.300 nan 0.000 0.639 1087 F N 2.966 122.667 119.950 -0.415 0.000 2.389 1087 F HA 0.638 5.165 4.527 0.001 0.000 0.337 1087 F C 0.623 176.137 175.800 -0.476 0.000 1.112 1087 F CA 0.315 58.108 58.000 -0.345 0.000 1.192 1087 F CB 0.799 39.663 39.000 -0.226 0.000 1.185 1087 F HN 0.509 nan 8.300 nan 0.000 0.552 1088 G N 4.306 113.286 108.800 0.301 0.000 2.350 1088 G HA2 0.152 4.113 3.960 0.001 0.000 0.304 1088 G HA3 0.152 4.113 3.960 0.001 0.000 0.304 1088 G C -3.432 171.481 174.900 0.022 0.000 1.421 1088 G CA -1.169 43.926 45.100 -0.009 0.000 0.934 1088 G HN 0.422 nan 8.290 nan 0.000 0.632 1089 P HA 0.593 nan 4.420 nan 0.000 0.276 1089 P C -0.619 176.719 177.300 0.063 0.000 1.244 1089 P CA 0.077 63.205 63.100 0.047 0.000 0.801 1089 P CB 1.711 33.427 31.700 0.028 0.000 1.006 1090 T N 0.518 115.151 114.554 0.132 0.000 3.012 1090 T HA 0.163 4.514 4.350 0.001 0.000 0.330 1090 T C -1.393 173.472 174.700 0.275 0.000 1.321 1090 T CA -0.236 61.951 62.100 0.146 0.000 1.067 1090 T CB 0.575 69.509 68.868 0.110 0.000 1.235 1090 T HN 0.212 nan 8.240 nan 0.000 0.479 1091 Y N 2.449 122.775 120.300 0.044 0.000 2.402 1091 Y HA 0.510 5.060 4.550 0.001 0.000 0.333 1091 Y C -1.139 174.799 175.900 0.063 0.000 1.076 1091 Y CA -0.905 57.247 58.100 0.087 0.000 1.299 1091 Y CB 0.202 38.695 38.460 0.054 0.000 1.197 1091 Y HN 0.611 nan 8.280 nan 0.000 0.517 1092 Y N 4.305 124.634 120.300 0.048 0.000 2.361 1092 Y HA 0.343 4.893 4.550 0.001 0.000 0.337 1092 Y C -0.318 175.610 175.900 0.048 0.000 0.965 1092 Y CA -0.829 57.321 58.100 0.083 0.000 1.091 1092 Y CB 1.523 40.101 38.460 0.197 0.000 1.182 1092 Y HN 0.510 nan 8.280 nan 0.000 0.450 1093 Q N 3.346 123.200 119.800 0.090 0.000 2.235 1093 Q HA 0.387 4.727 4.340 0.001 0.000 0.250 1093 Q C -0.494 175.600 176.000 0.155 0.000 0.909 1093 Q CA -0.873 54.974 55.803 0.073 0.000 0.910 1093 Q CB 1.648 30.370 28.738 -0.026 0.000 1.223 1093 Q HN 0.492 nan 8.270 nan 0.000 0.432 1094 R N 3.201 123.766 120.500 0.108 0.000 2.215 1094 R HA 0.253 4.593 4.340 0.001 0.000 0.337 1094 R C -1.307 174.858 176.300 -0.226 0.000 1.010 1094 R CA -0.582 55.412 56.100 -0.178 0.000 0.871 1094 R CB 0.088 30.332 30.300 -0.094 0.000 1.134 1094 R HN 0.386 nan 8.270 nan 0.000 0.477 1095 L N 3.156 124.200 121.223 -0.298 0.000 2.375 1095 L HA 0.486 4.826 4.340 0.001 0.000 0.271 1095 L C 0.891 177.553 176.870 -0.346 0.000 1.107 1095 L CA -0.646 54.039 54.840 -0.258 0.000 0.806 1095 L CB 0.296 42.242 42.059 -0.189 0.000 1.146 1095 L HN 0.555 nan 8.230 nan 0.000 0.447 1096 R N 0.775 121.043 120.500 -0.388 0.000 2.893 1096 R HA 0.078 4.418 4.340 0.001 0.000 0.279 1096 R C -0.775 175.266 176.300 -0.432 0.000 1.076 1096 R CA -0.081 55.747 56.100 -0.453 0.000 1.203 1096 R CB 0.092 30.061 30.300 -0.551 0.000 1.137 1096 R HN 0.787 nan 8.270 nan 0.000 0.541 1097 H N -0.810 118.084 119.070 -0.293 0.000 3.489 1097 H HA -0.060 4.496 4.556 0.001 0.000 0.358 1097 H C -1.121 174.056 175.328 -0.252 0.000 1.379 1097 H CA 0.444 56.342 56.048 -0.251 0.000 1.434 1097 H CB -1.732 27.893 29.762 -0.228 0.000 1.395 1097 H HN 0.557 nan 8.280 nan 0.000 0.472 1098 M N -0.046 119.466 119.600 -0.147 0.000 2.444 1098 M HA 0.307 4.787 4.480 0.001 0.000 0.319 1098 M C 1.839 178.069 176.300 -0.117 0.000 1.183 1098 M CA -0.421 54.779 55.300 -0.165 0.000 1.032 1098 M CB 1.422 33.907 32.600 -0.192 0.000 1.569 1098 M HN 0.119 nan 8.290 nan 0.000 0.468 1099 V N 1.099 120.953 119.914 -0.100 0.000 2.231 1099 V HA -0.278 3.842 4.120 0.001 0.000 0.248 1099 V C 1.133 177.190 176.094 -0.061 0.000 1.054 1099 V CA 2.278 64.534 62.300 -0.073 0.000 1.015 1099 V CB -0.253 31.536 31.823 -0.057 0.000 0.638 1099 V HN 0.884 nan 8.190 nan 0.000 0.444 1100 D N 0.081 120.445 120.400 -0.059 0.000 2.407 1100 D HA -0.081 4.560 4.640 0.001 0.000 0.234 1100 D C 1.027 177.298 176.300 -0.048 0.000 1.029 1100 D CA 0.726 54.700 54.000 -0.044 0.000 0.937 1100 D CB -0.225 40.553 40.800 -0.037 0.000 0.882 1100 D HN 0.557 nan 8.370 nan 0.000 0.531 1101 D N -0.884 119.475 120.400 -0.068 0.000 2.431 1101 D HA 0.108 4.749 4.640 0.001 0.000 0.213 1101 D C 1.326 177.589 176.300 -0.062 0.000 1.130 1101 D CA 0.090 54.046 54.000 -0.074 0.000 0.834 1101 D CB 0.700 41.430 40.800 -0.116 0.000 0.985 1101 D HN 0.215 nan 8.370 nan 0.000 0.504 1102 K N -0.383 119.988 120.400 -0.048 0.000 2.550 1102 K HA 0.147 4.467 4.320 0.001 0.000 0.205 1102 K C 0.379 176.986 176.600 0.011 0.000 1.429 1102 K CA -0.516 55.750 56.287 -0.036 0.000 0.997 1102 K CB 1.303 33.770 32.500 -0.056 0.000 1.328 1102 K HN -0.134 nan 8.250 nan 0.000 0.546 1103 I N 3.252 123.826 120.570 0.007 0.000 2.996 1103 I HA -0.185 3.985 4.170 0.001 0.000 0.310 1103 I C -0.332 175.847 176.117 0.103 0.000 1.225 1103 I CA 1.239 62.557 61.300 0.031 0.000 1.442 1103 I CB -0.404 37.601 38.000 0.009 0.000 1.334 1103 I HN 0.188 nan 8.210 nan 0.000 0.550 1104 H N 5.917 124.969 119.070 -0.029 0.000 3.042 1104 H HA 0.781 5.338 4.556 0.001 0.000 0.345 1104 H C -1.505 173.812 175.328 -0.019 0.000 1.052 1104 H CA -0.480 55.553 56.048 -0.024 0.000 1.311 1104 H CB 1.167 30.913 29.762 -0.027 0.000 1.810 1104 H HN 0.632 nan 8.280 nan 0.000 0.505 1105 A N 4.812 127.480 122.820 -0.254 0.000 2.475 1105 A HA 0.817 5.137 4.320 0.001 0.000 0.301 1105 A C -1.189 176.246 177.584 -0.248 0.000 1.059 1105 A CA -0.813 51.033 52.037 -0.319 0.000 0.710 1105 A CB 1.690 20.613 19.000 -0.127 0.000 1.288 1105 A HN 0.808 nan 8.150 nan 0.000 0.408 1106 R N 0.871 121.236 120.500 -0.224 0.000 2.535 1106 R HA 0.657 4.998 4.340 0.001 0.000 0.274 1106 R C -1.495 174.761 176.300 -0.074 0.000 1.090 1106 R CA -0.002 56.036 56.100 -0.104 0.000 0.930 1106 R CB 1.769 32.029 30.300 -0.066 0.000 1.223 1106 R HN 1.366 nan 8.270 nan 0.000 0.441 1107 A N 5.764 128.557 122.820 -0.045 0.000 2.842 1107 A HA 0.469 4.789 4.320 0.001 0.000 0.339 1107 A C -0.498 177.069 177.584 -0.029 0.000 1.177 1107 A CA -0.357 51.658 52.037 -0.036 0.000 0.797 1107 A CB 0.298 19.279 19.000 -0.032 0.000 1.094 1107 A HN 1.044 nan 8.150 nan 0.000 0.474 1108 R N 0.218 120.701 120.500 -0.029 0.000 1.430 1108 R HA 0.049 4.390 4.340 0.001 0.000 0.469 1108 R C 0.013 176.300 176.300 -0.022 0.000 1.339 1108 R CA 1.245 57.328 56.100 -0.027 0.000 1.404 1108 R CB -1.129 29.154 30.300 -0.029 0.000 3.597 1108 R HN 2.320 nan 8.270 nan 0.000 0.523 1109 G N 1.401 110.187 108.800 -0.022 0.000 2.564 1109 G HA2 0.249 4.209 3.960 0.001 0.000 0.139 1109 G HA3 0.249 4.209 3.960 0.001 0.000 0.139 1109 G C -2.885 172.002 174.900 -0.022 0.000 1.147 1109 G CA -0.404 44.684 45.100 -0.019 0.000 1.031 1109 G HN 0.697 nan 8.290 nan 0.000 0.482 1110 P HA 0.216 nan 4.420 nan 0.000 0.256 1110 P C -0.612 176.670 177.300 -0.030 0.000 1.173 1110 P CA 0.656 63.744 63.100 -0.019 0.000 0.768 1110 P CB 0.269 31.964 31.700 -0.008 0.000 0.758 1111 M N 2.126 121.697 119.600 -0.048 0.000 2.436 1111 M HA 0.297 4.778 4.480 0.001 0.000 0.331 1111 M C 0.744 176.997 176.300 -0.078 0.000 1.135 1111 M CA -0.986 54.272 55.300 -0.071 0.000 0.987 1111 M CB 1.513 34.054 32.600 -0.099 0.000 1.687 1111 M HN 0.407 nan 8.290 nan 0.000 0.445 1112 Q N 0.640 120.390 119.800 -0.083 0.000 2.793 1112 Q HA 0.107 4.447 4.340 0.001 0.000 0.220 1112 Q C 0.308 176.241 176.000 -0.113 0.000 1.123 1112 Q CA 0.295 56.050 55.803 -0.080 0.000 1.073 1112 Q CB 0.846 29.540 28.738 -0.074 0.000 1.315 1112 Q HN 0.588 nan 8.270 nan 0.000 0.619 1113 V N 0.762 120.618 119.914 -0.096 0.000 3.151 1113 V HA -0.055 4.065 4.120 0.001 0.000 0.241 1113 V C 1.424 177.444 176.094 -0.124 0.000 1.173 1113 V CA 0.623 62.854 62.300 -0.115 0.000 1.154 1113 V CB 0.089 31.871 31.823 -0.069 0.000 0.898 1113 V HN 0.760 nan 8.190 nan 0.000 0.473 1114 L N 0.350 121.528 121.223 -0.074 0.000 1.988 1114 L HA -0.090 4.250 4.340 0.001 0.000 0.207 1114 L C 2.301 179.141 176.870 -0.050 0.000 1.071 1114 L CA 2.734 57.553 54.840 -0.035 0.000 0.744 1114 L CB -0.881 41.174 42.059 -0.005 0.000 0.893 1114 L HN 0.321 nan 8.230 nan 0.000 0.433 1115 T N -0.806 113.703 114.554 -0.075 0.000 2.896 1115 T HA 0.017 4.367 4.350 0.001 0.000 0.263 1115 T C 0.769 175.322 174.700 -0.245 0.000 1.050 1115 T CA 0.672 62.730 62.100 -0.071 0.000 1.140 1115 T CB -0.074 68.770 68.868 -0.041 0.000 0.877 1115 T HN 0.359 nan 8.240 nan 0.000 0.457 1116 R N 0.634 120.948 120.500 -0.310 0.000 3.774 1116 R HA -0.111 4.229 4.340 0.001 0.000 0.320 1116 R C -0.376 175.793 176.300 -0.218 0.000 1.175 1116 R CA 0.311 56.178 56.100 -0.388 0.000 0.849 1116 R CB -1.890 27.927 30.300 -0.806 0.000 1.365 1116 R HN 0.508 nan 8.270 nan 0.000 0.502 1117 Q N -0.053 119.667 119.800 -0.133 0.000 2.240 1117 Q HA 0.448 4.788 4.340 0.001 0.000 0.260 1117 Q C -2.410 173.551 176.000 -0.064 0.000 1.018 1117 Q CA -2.179 53.577 55.803 -0.078 0.000 0.898 1117 Q CB 1.471 30.181 28.738 -0.046 0.000 1.301 1117 Q HN -0.145 nan 8.270 nan 0.000 0.469 1118 P HA -0.086 nan 4.420 nan 0.000 0.267 1118 P C -0.776 176.513 177.300 -0.018 0.000 1.200 1118 P CA 0.009 63.093 63.100 -0.027 0.000 0.772 1118 P CB 0.400 32.093 31.700 -0.012 0.000 0.855 1119 V N -0.168 119.739 119.914 -0.011 0.000 3.214 1119 V HA 0.337 4.458 4.120 0.001 0.000 0.306 1119 V C 0.216 176.313 176.094 0.006 0.000 1.078 1119 V CA -0.488 61.807 62.300 -0.008 0.000 1.077 1119 V CB 0.706 32.523 31.823 -0.011 0.000 1.121 1119 V HN 0.549 nan 8.190 nan 0.000 0.468 1120 E N 1.166 121.365 120.200 -0.002 0.000 2.242 1120 E HA 0.579 4.929 4.350 0.001 0.000 0.275 1120 E C -0.002 176.586 176.600 -0.020 0.000 1.002 1120 E CA 0.063 56.461 56.400 -0.002 0.000 0.841 1120 E CB 1.317 31.012 29.700 -0.009 0.000 1.109 1120 E HN 1.924 nan 8.360 nan 0.000 0.394 1121 G N 3.036 111.815 108.800 -0.036 0.000 3.039 1121 G HA2 -0.226 3.735 3.960 0.001 0.000 0.686 1121 G HA3 -0.226 3.735 3.960 0.001 0.000 0.686 1121 G C 0.270 175.049 174.900 -0.202 0.000 1.066 1121 G CA 0.004 45.044 45.100 -0.099 0.000 0.774 1121 G HN 0.801 nan 8.290 nan 0.000 0.591 1122 R N 0.696 120.949 120.500 -0.412 0.000 2.189 1122 R HA -0.010 4.330 4.340 0.001 0.000 0.218 1122 R C 2.463 178.579 176.300 -0.306 0.000 1.074 1122 R CA 2.177 57.816 56.100 -0.769 0.000 0.991 1122 R CB -0.375 29.358 30.300 -0.946 0.000 0.883 1122 R HN 0.657 nan 8.270 nan 0.000 0.457 1123 S N 1.679 117.269 115.700 -0.184 0.000 2.353 1123 S HA -0.153 4.318 4.470 0.001 0.000 0.222 1123 S C 1.790 176.357 174.600 -0.054 0.000 1.035 1123 S CA 1.442 59.588 58.200 -0.089 0.000 1.025 1123 S CB -0.339 62.822 63.200 -0.064 0.000 0.902 1123 S HN 0.419 nan 8.310 nan 0.000 0.440 1124 R N 0.957 121.426 120.500 -0.051 0.000 2.319 1124 R HA 0.104 4.445 4.340 0.001 0.000 0.204 1124 R C 0.143 176.440 176.300 -0.005 0.000 0.954 1124 R CA 0.625 56.713 56.100 -0.020 0.000 1.066 1124 R CB -0.167 30.123 30.300 -0.016 0.000 0.991 1124 R HN 0.416 nan 8.270 nan 0.000 0.486 1125 D N -1.475 118.921 120.400 -0.005 0.000 3.090 1125 D HA -0.120 4.520 4.640 0.001 0.000 0.215 1125 D C 0.384 176.750 176.300 0.110 0.000 1.140 1125 D CA 1.014 55.051 54.000 0.063 0.000 0.937 1125 D CB -1.198 39.625 40.800 0.038 0.000 1.108 1125 D HN 0.353 nan 8.370 nan 0.000 0.420 1126 G N -0.683 108.163 108.800 0.077 0.000 2.661 1126 G HA2 0.470 4.430 3.960 0.001 0.000 0.272 1126 G HA3 0.470 4.430 3.960 0.001 0.000 0.272 1126 G C 0.633 175.638 174.900 0.176 0.000 1.296 1126 G CA 0.115 45.270 45.100 0.091 0.000 0.998 1126 G HN 0.600 nan 8.290 nan 0.000 0.553 1127 G N -1.784 107.081 108.800 0.109 0.000 2.473 1127 G HA2 0.551 4.511 3.960 0.001 0.000 0.321 1127 G HA3 0.551 4.511 3.960 0.001 0.000 0.321 1127 G C -0.044 174.910 174.900 0.090 0.000 1.200 1127 G CA -0.886 44.259 45.100 0.075 0.000 0.963 1127 G HN 0.560 nan 8.290 nan 0.000 0.483 1128 L N -0.446 120.809 121.223 0.052 0.000 2.416 1128 L HA 0.458 4.798 4.340 0.001 0.000 0.212 1128 L C 0.982 177.886 176.870 0.057 0.000 1.200 1128 L CA -0.403 54.472 54.840 0.058 0.000 0.841 1128 L CB 0.369 42.444 42.059 0.026 0.000 1.299 1128 L HN 0.498 nan 8.230 nan 0.000 0.538 1129 R N -0.214 120.316 120.500 0.049 0.000 2.513 1129 R HA 0.281 4.621 4.340 0.001 0.000 0.301 1129 R C -1.400 174.938 176.300 0.063 0.000 0.968 1129 R CA -0.465 55.669 56.100 0.056 0.000 0.872 1129 R CB 0.893 31.206 30.300 0.023 0.000 1.177 1129 R HN 0.401 nan 8.270 nan 0.000 0.444 1130 F N 5.044 124.982 119.950 -0.020 0.000 2.395 1130 F HA 0.433 4.960 4.527 0.001 0.000 0.347 1130 F C 0.532 176.318 175.800 -0.022 0.000 1.157 1130 F CA -0.183 57.805 58.000 -0.021 0.000 1.272 1130 F CB 0.493 39.467 39.000 -0.043 0.000 1.607 1130 F HN 0.728 nan 8.300 nan 0.000 0.571 1131 G N 2.329 111.085 108.800 -0.073 0.000 2.489 1131 G HA2 0.026 3.987 3.960 0.001 0.000 0.271 1131 G HA3 0.026 3.987 3.960 0.001 0.000 0.271 1131 G C 0.789 175.665 174.900 -0.039 0.000 1.427 1131 G CA -0.221 44.862 45.100 -0.029 0.000 1.057 1131 G HN 0.544 nan 8.290 nan 0.000 0.532 1132 E N -0.805 119.382 120.200 -0.022 0.000 2.033 1132 E HA -0.198 4.152 4.350 0.001 0.000 0.199 1132 E C 2.727 179.304 176.600 -0.038 0.000 1.011 1132 E CA 1.560 57.953 56.400 -0.011 0.000 0.815 1132 E CB -0.202 29.492 29.700 -0.010 0.000 0.755 1132 E HN 0.431 nan 8.360 nan 0.000 0.451 1133 M N 0.472 120.031 119.600 -0.068 0.000 2.106 1133 M HA -0.215 4.265 4.480 0.001 0.000 0.259 1133 M C 2.121 178.350 176.300 -0.119 0.000 1.068 1133 M CA 1.502 56.756 55.300 -0.077 0.000 1.100 1133 M CB -0.597 31.956 32.600 -0.080 0.000 1.351 1133 M HN -0.016 nan 8.290 nan 0.000 0.404 1134 E N 0.202 120.248 120.200 -0.256 0.000 2.085 1134 E HA -0.165 4.185 4.350 0.001 0.000 0.194 1134 E C 1.946 178.396 176.600 -0.250 0.000 0.994 1134 E CA 1.157 57.264 56.400 -0.489 0.000 0.801 1134 E CB -0.436 28.542 29.700 -1.203 0.000 0.743 1134 E HN 0.378 nan 8.360 nan 0.000 0.453 1135 R N 0.896 121.375 120.500 -0.034 0.000 2.082 1135 R HA -0.203 4.137 4.340 0.001 0.000 0.234 1135 R C 1.266 177.657 176.300 0.151 0.000 1.136 1135 R CA 2.096 58.343 56.100 0.244 0.000 0.935 1135 R CB -0.364 30.044 30.300 0.181 0.000 0.842 1135 R HN 0.114 nan 8.270 nan 0.000 0.430 1136 D N 0.065 120.507 120.400 0.069 0.000 2.203 1136 D HA -0.190 4.450 4.640 0.001 0.000 0.199 1136 D C 1.928 178.269 176.300 0.067 0.000 0.997 1136 D CA 1.369 55.400 54.000 0.052 0.000 0.863 1136 D CB -0.446 40.364 40.800 0.016 0.000 0.928 1136 D HN 0.330 nan 8.370 nan 0.000 0.458 1137 C N 0.085 119.437 119.300 0.087 0.000 2.476 1137 C HA -0.018 4.442 4.460 0.001 0.000 0.278 1137 C C 2.610 177.766 174.990 0.277 0.000 1.274 1137 C CA 0.161 59.264 59.018 0.142 0.000 1.713 1137 C CB -0.569 27.264 27.740 0.155 0.000 2.039 1137 C HN 0.324 nan 8.230 nan 0.000 0.484 1138 M N 0.775 120.561 119.600 0.310 0.000 2.108 1138 M HA -0.092 4.388 4.480 0.001 0.000 0.261 1138 M C 1.973 178.424 176.300 0.252 0.000 1.066 1138 M CA 1.516 57.029 55.300 0.356 0.000 1.107 1138 M CB -1.379 31.473 32.600 0.421 0.000 1.356 1138 M HN 0.363 nan 8.290 nan 0.000 0.406 1139 I N -0.142 120.533 120.570 0.175 0.000 2.208 1139 I HA -0.292 3.878 4.170 0.001 0.000 0.245 1139 I C 2.508 178.675 176.117 0.084 0.000 1.097 1139 I CA 1.231 62.597 61.300 0.111 0.000 1.363 1139 I CB -0.622 37.424 38.000 0.077 0.000 1.051 1139 I HN 0.233 nan 8.210 nan 0.000 0.413 1140 A N 0.326 123.181 122.820 0.059 0.000 1.851 1140 A HA -0.272 4.049 4.320 0.001 0.000 0.216 1140 A C 2.159 179.719 177.584 -0.040 0.000 1.195 1140 A CA 1.663 53.686 52.037 -0.023 0.000 0.622 1140 A CB -1.169 17.776 19.000 -0.093 0.000 0.831 1140 A HN 0.436 nan 8.150 nan 0.000 0.444 1141 H N -0.832 118.265 119.070 0.046 0.000 2.518 1141 H HA -0.029 4.528 4.556 0.001 0.000 0.292 1141 H C 1.698 177.051 175.328 0.042 0.000 1.068 1141 H CA 1.174 57.246 56.048 0.041 0.000 1.275 1141 H CB -0.396 29.397 29.762 0.052 0.000 1.375 1141 H HN 0.738 nan 8.280 nan 0.000 0.563 1142 G N 0.206 109.096 108.800 0.150 0.000 2.198 1142 G HA2 -0.252 3.708 3.960 0.001 0.000 0.257 1142 G HA3 -0.252 3.708 3.960 0.001 0.000 0.257 1142 G C 0.633 175.606 174.900 0.121 0.000 1.042 1142 G CA 0.398 45.560 45.100 0.105 0.000 0.791 1142 G HN 0.657 nan 8.290 nan 0.000 0.502 1143 A N -0.268 122.653 122.820 0.168 0.000 3.135 1143 A HA 0.797 5.117 4.320 0.001 0.000 0.253 1143 A C 2.014 179.690 177.584 0.154 0.000 1.638 1143 A CA 1.037 53.175 52.037 0.169 0.000 1.295 1143 A CB -0.620 18.516 19.000 0.226 0.000 1.106 1143 A HN 1.996 nan 8.150 nan 0.000 0.648 1144 A N 0.822 123.703 122.820 0.101 0.000 1.879 1144 A HA -0.267 4.053 4.320 0.001 0.000 0.222 1144 A C 2.546 180.161 177.584 0.051 0.000 1.368 1144 A CA 2.727 54.803 52.037 0.066 0.000 0.707 1144 A CB -1.285 17.745 19.000 0.049 0.000 0.846 1144 A HN 0.625 nan 8.150 nan 0.000 0.468 1145 S N -1.246 114.490 115.700 0.059 0.000 2.351 1145 S HA -0.176 4.295 4.470 0.001 0.000 0.220 1145 S C 1.693 176.315 174.600 0.037 0.000 1.035 1145 S CA 1.656 59.881 58.200 0.042 0.000 1.031 1145 S CB -0.673 62.559 63.200 0.052 0.000 0.928 1145 S HN 0.621 nan 8.310 nan 0.000 0.433 1146 F N 2.389 122.312 119.950 -0.044 0.000 2.087 1146 F HA -0.177 4.350 4.527 0.001 0.000 0.299 1146 F C 2.021 177.747 175.800 -0.123 0.000 1.100 1146 F CA 1.415 59.370 58.000 -0.075 0.000 1.226 1146 F CB -0.684 38.281 39.000 -0.058 0.000 0.983 1146 F HN 0.176 nan 8.300 nan 0.000 0.479 1147 L N 0.598 121.684 121.223 -0.229 0.000 2.013 1147 L HA -0.275 4.065 4.340 0.001 0.000 0.212 1147 L C 2.731 179.379 176.870 -0.370 0.000 1.073 1147 L CA 2.188 56.819 54.840 -0.348 0.000 0.753 1147 L CB -0.759 41.262 42.059 -0.064 0.000 0.890 1147 L HN 0.217 nan 8.230 nan 0.000 0.432 1148 K N 0.009 120.285 120.400 -0.207 0.000 2.009 1148 K HA -0.306 4.014 4.320 0.001 0.000 0.210 1148 K C 2.033 178.494 176.600 -0.232 0.000 1.049 1148 K CA 2.215 58.401 56.287 -0.168 0.000 0.929 1148 K CB -0.331 32.118 32.500 -0.084 0.000 0.714 1148 K HN 0.494 nan 8.250 nan 0.000 0.440 1149 E N 0.119 120.169 120.200 -0.249 0.000 2.086 1149 E HA -0.239 4.112 4.350 0.001 0.000 0.200 1149 E C 2.165 178.551 176.600 -0.358 0.000 1.012 1149 E CA 1.165 57.417 56.400 -0.247 0.000 0.812 1149 E CB 0.094 29.686 29.700 -0.180 0.000 0.743 1149 E HN 0.192 nan 8.360 nan 0.000 0.453 1150 R N -0.064 120.056 120.500 -0.633 0.000 2.091 1150 R HA -0.166 4.174 4.340 0.001 0.000 0.238 1150 R C 2.357 178.388 176.300 -0.448 0.000 1.136 1150 R CA 0.923 56.597 56.100 -0.710 0.000 0.959 1150 R CB -0.664 28.840 30.300 -1.326 0.000 0.856 1150 R HN 0.227 nan 8.270 nan 0.000 0.437 1151 L N -0.338 120.659 121.223 -0.377 0.000 2.072 1151 L HA -0.066 4.275 4.340 0.001 0.000 0.205 1151 L C 2.269 179.055 176.870 -0.140 0.000 1.079 1151 L CA 1.522 56.233 54.840 -0.214 0.000 0.752 1151 L CB -0.580 41.380 42.059 -0.166 0.000 0.906 1151 L HN 0.079 nan 8.230 nan 0.000 0.436 1152 M N -1.013 118.504 119.600 -0.137 0.000 2.257 1152 M HA 0.004 4.484 4.480 0.001 0.000 0.229 1152 M C 2.190 178.435 176.300 -0.092 0.000 1.199 1152 M CA 0.923 56.169 55.300 -0.090 0.000 1.186 1152 M CB -1.139 31.415 32.600 -0.076 0.000 1.164 1152 M HN -0.031 nan 8.290 nan 0.000 0.456 1153 E N 1.166 121.304 120.200 -0.103 0.000 2.147 1153 E HA -0.124 4.227 4.350 0.001 0.000 0.199 1153 E C 1.482 178.030 176.600 -0.086 0.000 1.005 1153 E CA 1.686 58.031 56.400 -0.091 0.000 0.810 1153 E CB -0.428 29.220 29.700 -0.085 0.000 0.736 1153 E HN 0.543 nan 8.360 nan 0.000 0.460 1154 A N -1.038 121.715 122.820 -0.112 0.000 2.370 1154 A HA 0.375 4.695 4.320 0.001 0.000 0.238 1154 A C 1.264 178.795 177.584 -0.089 0.000 1.289 1154 A CA 0.674 52.649 52.037 -0.104 0.000 0.885 1154 A CB 0.164 19.079 19.000 -0.142 0.000 0.961 1154 A HN 0.123 nan 8.150 nan 0.000 0.499 1155 S N -1.904 113.750 115.700 -0.078 0.000 5.110 1155 S HA 0.079 4.550 4.470 0.001 0.000 0.164 1155 S C 0.133 174.705 174.600 -0.046 0.000 1.346 1155 S CA 0.375 58.538 58.200 -0.061 0.000 1.007 1155 S CB -0.526 62.635 63.200 -0.065 0.000 2.054 1155 S HN 0.267 nan 8.310 nan 0.000 0.659 1156 D N 1.526 121.909 120.400 -0.028 0.000 1.852 1156 D HA 0.312 4.952 4.640 0.001 0.000 0.277 1156 D C 0.713 177.039 176.300 0.043 0.000 1.056 1156 D CA 1.839 55.849 54.000 0.015 0.000 0.962 1156 D CB -0.925 39.906 40.800 0.052 0.000 1.390 1156 D HN 1.228 nan 8.370 nan 0.000 0.518 1157 A N -0.100 122.763 122.820 0.072 0.000 1.554 1157 A HA -0.119 4.202 4.320 0.001 0.000 0.210 1157 A C -0.558 177.157 177.584 0.217 0.000 1.250 1157 A CA 0.301 52.383 52.037 0.074 0.000 0.617 1157 A CB -1.797 17.191 19.000 -0.020 0.000 1.224 1157 A HN 0.298 nan 8.150 nan 0.000 0.190 1158 F N 3.262 123.245 119.950 0.056 0.000 2.599 1158 F HA 0.811 5.338 4.527 0.001 0.000 0.311 1158 F C -0.129 175.752 175.800 0.135 0.000 1.076 1158 F CA -1.398 56.665 58.000 0.105 0.000 0.937 1158 F CB 1.565 40.664 39.000 0.164 0.000 1.282 1158 F HN 0.680 nan 8.300 nan 0.000 0.460 1159 R N 4.876 125.151 120.500 -0.373 0.000 2.320 1159 R HA 0.586 4.926 4.340 0.001 0.000 0.319 1159 R C -1.634 174.198 176.300 -0.779 0.000 0.969 1159 R CA -0.302 55.587 56.100 -0.352 0.000 0.857 1159 R CB 0.621 30.912 30.300 -0.015 0.000 1.160 1159 R HN 0.614 nan 8.270 nan 0.000 0.491 1160 V N 0.758 120.282 119.914 -0.650 0.000 3.193 1160 V HA 0.639 4.759 4.120 0.001 0.000 0.320 1160 V C -0.150 175.656 176.094 -0.481 0.000 1.112 1160 V CA -0.863 61.125 62.300 -0.519 0.000 1.026 1160 V CB 2.098 33.739 31.823 -0.303 0.000 1.128 1160 V HN 0.624 nan 8.190 nan 0.000 0.452 1161 H N 0.575 119.617 119.070 -0.046 0.000 2.524 1161 H HA 0.724 5.281 4.556 0.001 0.000 0.353 1161 H C -0.780 174.573 175.328 0.041 0.000 1.136 1161 H CA -0.285 55.779 56.048 0.027 0.000 1.193 1161 H CB 2.158 31.986 29.762 0.111 0.000 1.558 1161 H HN 0.612 nan 8.280 nan 0.000 0.515 1162 I N 0.587 121.261 120.570 0.172 0.000 3.067 1162 I HA 0.236 4.406 4.170 0.001 0.000 0.312 1162 I C 0.128 176.319 176.117 0.123 0.000 1.073 1162 I CA -1.016 60.356 61.300 0.120 0.000 1.016 1162 I CB 2.263 40.308 38.000 0.075 0.000 1.227 1162 I HN 0.422 nan 8.210 nan 0.000 0.456 1163 C N 1.911 121.256 119.300 0.076 0.000 2.330 1163 C HA 0.553 5.013 4.460 0.001 0.000 0.344 1163 C C 1.638 176.628 174.990 -0.001 0.000 1.273 1163 C CA -0.128 58.919 59.018 0.048 0.000 1.879 1163 C CB 0.047 27.806 27.740 0.031 0.000 2.376 1163 C HN 1.019 nan 8.230 nan 0.000 0.534 1164 G N 4.207 113.027 108.800 0.034 0.000 2.598 1164 G HA2 -0.004 3.957 3.960 0.001 0.000 0.215 1164 G HA3 -0.004 3.957 3.960 0.001 0.000 0.215 1164 G C 1.085 175.841 174.900 -0.240 0.000 1.131 1164 G CA 0.666 45.738 45.100 -0.047 0.000 0.785 1164 G HN 0.825 nan 8.290 nan 0.000 0.539 1165 I N 0.372 120.858 120.570 -0.140 0.000 2.405 1165 I HA 0.055 4.225 4.170 0.001 0.000 0.236 1165 I C 1.083 177.151 176.117 -0.082 0.000 1.071 1165 I CA 0.363 61.591 61.300 -0.119 0.000 1.398 1165 I CB 0.033 38.011 38.000 -0.037 0.000 1.162 1165 I HN 0.235 nan 8.210 nan 0.000 0.432 1166 C N 1.219 120.522 119.300 0.005 0.000 2.273 1166 C HA 0.665 5.125 4.460 0.001 0.000 0.328 1166 C C 1.081 176.160 174.990 0.147 0.000 1.275 1166 C CA -1.205 57.880 59.018 0.111 0.000 1.704 1166 C CB -0.225 27.556 27.740 0.069 0.000 2.326 1166 C HN 0.583 nan 8.230 nan 0.000 0.517 1167 G N 4.011 113.048 108.800 0.395 0.000 2.894 1167 G HA2 0.401 4.361 3.960 0.001 0.000 0.265 1167 G HA3 0.401 4.361 3.960 0.001 0.000 0.265 1167 G C -0.251 174.701 174.900 0.085 0.000 0.735 1167 G CA 0.108 45.404 45.100 0.327 0.000 2.064 1167 G HN 0.803 nan 8.290 nan 0.000 0.590 1168 L N -0.456 120.804 121.223 0.061 0.000 2.309 1168 L HA 0.443 4.784 4.340 0.001 0.000 0.261 1168 L C 1.307 178.208 176.870 0.052 0.000 1.021 1168 L CA -1.116 53.744 54.840 0.033 0.000 0.823 1168 L CB 1.833 43.912 42.059 0.034 0.000 1.366 1168 L HN 0.100 nan 8.230 nan 0.000 0.423 1169 M N -0.541 119.093 119.600 0.057 0.000 2.628 1169 M HA 0.013 4.493 4.480 0.001 0.000 0.232 1169 M C 1.392 177.739 176.300 0.079 0.000 1.128 1169 M CA 0.226 55.571 55.300 0.075 0.000 1.040 1169 M CB -0.700 31.950 32.600 0.083 0.000 1.608 1169 M HN 0.823 nan 8.290 nan 0.000 0.507 1170 T N 1.239 115.833 114.554 0.067 0.000 2.594 1170 T HA -0.157 4.193 4.350 0.001 0.000 0.266 1170 T C 1.080 175.821 174.700 0.068 0.000 1.070 1170 T CA 0.901 63.037 62.100 0.060 0.000 1.166 1170 T CB -0.972 67.927 68.868 0.051 0.000 0.862 1170 T HN 0.301 nan 8.240 nan 0.000 0.436 1171 V N 2.125 122.090 119.914 0.084 0.000 3.023 1171 V HA -0.165 3.955 4.120 0.001 0.000 0.274 1171 V C 0.754 176.891 176.094 0.071 0.000 1.534 1171 V CA 0.812 63.170 62.300 0.098 0.000 1.504 1171 V CB -0.475 31.443 31.823 0.159 0.000 0.849 1171 V HN 0.455 nan 8.190 nan 0.000 0.493 1172 I N 4.505 125.095 120.570 0.034 0.000 2.802 1172 I HA 0.320 4.490 4.170 0.001 0.000 0.307 1172 I C 0.934 176.974 176.117 -0.128 0.000 1.232 1172 I CA -0.273 61.016 61.300 -0.019 0.000 1.060 1172 I CB 0.446 38.439 38.000 -0.012 0.000 1.866 1172 I HN 0.781 nan 8.210 nan 0.000 0.568 1173 A N 3.319 126.018 122.820 -0.202 0.000 2.515 1173 A HA 0.125 4.445 4.320 0.001 0.000 0.263 1173 A C 1.019 178.302 177.584 -0.502 0.000 1.096 1173 A CA 0.200 51.875 52.037 -0.604 0.000 0.769 1173 A CB -0.027 18.531 19.000 -0.736 0.000 1.040 1173 A HN 0.562 nan 8.150 nan 0.000 0.505 1174 K N 2.754 122.801 120.400 -0.588 0.000 2.437 1174 K HA 0.184 4.504 4.320 0.001 0.000 0.198 1174 K C 0.004 176.380 176.600 -0.373 0.000 1.024 1174 K CA -0.173 55.899 56.287 -0.359 0.000 1.148 1174 K CB -0.248 32.108 32.500 -0.241 0.000 0.860 1174 K HN 0.800 nan 8.250 nan 0.000 0.515 1175 L N 1.833 122.771 121.223 -0.476 0.000 4.689 1175 L HA -0.364 3.976 4.340 0.001 0.000 0.548 1175 L C 0.870 177.614 176.870 -0.211 0.000 0.919 1175 L CA 0.509 55.183 54.840 -0.277 0.000 0.757 1175 L CB -1.518 40.479 42.059 -0.104 0.000 1.817 1175 L HN 0.465 nan 8.230 nan 0.000 0.794 1176 N N -1.548 116.976 118.700 -0.293 0.000 3.192 1176 N HA 0.052 4.793 4.740 0.001 0.000 0.293 1176 N C 0.839 176.159 175.510 -0.318 0.000 1.008 1176 N CA -0.215 52.618 53.050 -0.362 0.000 1.375 1176 N CB 0.359 38.475 38.487 -0.619 0.000 1.032 1176 N HN 0.374 nan 8.380 nan 0.000 1.227 1177 H N 2.612 121.637 119.070 -0.075 0.000 2.669 1177 H HA 0.273 4.830 4.556 0.001 0.000 0.297 1177 H C 0.003 175.297 175.328 -0.057 0.000 1.071 1177 H CA 0.021 56.037 56.048 -0.052 0.000 1.182 1177 H CB -0.682 29.050 29.762 -0.051 0.000 1.343 1177 H HN 0.342 nan 8.280 nan 0.000 0.582 1178 N N 0.911 119.587 118.700 -0.040 0.000 2.653 1178 N HA -0.231 4.510 4.740 0.001 0.000 0.248 1178 N C -0.134 175.366 175.510 -0.017 0.000 1.154 1178 N CA 0.790 53.848 53.050 0.013 0.000 0.780 1178 N CB -0.849 37.723 38.487 0.142 0.000 1.155 1178 N HN 0.622 nan 8.380 nan 0.000 0.570 1179 Q N -1.207 118.504 119.800 -0.149 0.000 2.352 1179 Q HA 0.281 4.621 4.340 0.001 0.000 0.260 1179 Q C 0.639 176.406 176.000 -0.387 0.000 0.976 1179 Q CA 0.301 56.039 55.803 -0.108 0.000 0.881 1179 Q CB 0.351 29.051 28.738 -0.064 0.000 1.235 1179 Q HN 0.233 nan 8.270 nan 0.000 0.419 1180 F N -0.560 119.347 119.950 -0.072 0.000 2.658 1180 F HA 0.126 4.653 4.527 0.001 0.000 0.293 1180 F C 0.568 176.326 175.800 -0.070 0.000 0.986 1180 F CA -0.217 57.720 58.000 -0.105 0.000 1.182 1180 F CB 0.534 39.453 39.000 -0.134 0.000 0.965 1180 F HN 0.566 nan 8.300 nan 0.000 0.659 1181 E N -0.406 119.865 120.200 0.119 0.000 9.034 1181 E HA -0.381 3.969 4.350 0.001 0.000 0.296 1181 E C -0.294 176.342 176.600 0.059 0.000 1.431 1181 E CA 1.485 57.923 56.400 0.063 0.000 2.492 1181 E CB -0.148 29.569 29.700 0.028 0.000 1.149 1181 E HN 0.476 nan 8.360 nan 0.000 0.396 1182 C N 1.793 121.117 119.300 0.040 0.000 2.619 1182 C HA 0.115 4.575 4.460 0.001 0.000 0.338 1182 C C -1.044 173.962 174.990 0.028 0.000 1.452 1182 C CA -0.365 58.676 59.018 0.038 0.000 0.842 1182 C CB -1.018 26.749 27.740 0.044 0.000 1.842 1182 C HN 0.618 nan 8.230 nan 0.000 0.733 1183 K N 1.146 121.560 120.400 0.022 0.000 2.611 1183 K HA 0.416 4.736 4.320 0.001 0.000 0.280 1183 K C 1.399 178.011 176.600 0.019 0.000 0.964 1183 K CA 1.503 57.800 56.287 0.018 0.000 1.029 1183 K CB -0.132 32.377 32.500 0.015 0.000 0.862 1183 K HN 1.531 nan 8.250 nan 0.000 0.501 1184 G N 0.159 108.968 108.800 0.016 0.000 3.642 1184 G HA2 -0.311 3.649 3.960 0.001 0.000 0.205 1184 G HA3 -0.311 3.649 3.960 0.001 0.000 0.205 1184 G C 1.132 176.042 174.900 0.016 0.000 1.526 1184 G CA -0.095 45.015 45.100 0.017 0.000 1.097 1184 G HN 0.654 nan 8.290 nan 0.000 0.596 1185 C N 2.025 121.336 119.300 0.018 0.000 2.799 1185 C HA 0.478 4.938 4.460 0.001 0.000 0.267 1185 C C 0.775 175.772 174.990 0.013 0.000 1.257 1185 C CA 0.018 59.045 59.018 0.016 0.000 1.702 1185 C CB -0.610 27.141 27.740 0.018 0.000 1.934 1185 C HN 0.835 nan 8.230 nan 0.000 0.594 1186 D N 2.027 122.436 120.400 0.015 0.000 3.666 1186 D HA -0.166 4.474 4.640 0.001 0.000 0.220 1186 D C -0.219 176.087 176.300 0.011 0.000 1.105 1186 D CA 0.800 54.808 54.000 0.013 0.000 1.111 1186 D CB -0.401 40.405 40.800 0.010 0.000 0.790 1186 D HN 0.511 nan 8.370 nan 0.000 0.389 1187 N N 2.325 121.035 118.700 0.016 0.000 3.384 1187 N HA 0.459 5.199 4.740 0.001 0.000 0.352 1187 N C 0.636 176.156 175.510 0.017 0.000 1.466 1187 N CA 0.035 53.092 53.050 0.011 0.000 0.629 1187 N CB 0.916 39.410 38.487 0.011 0.000 1.810 1187 N HN 0.522 nan 8.380 nan 0.000 0.575 1188 K N -1.156 119.255 120.400 0.018 0.000 3.421 1188 K HA 0.064 4.384 4.320 0.001 0.000 0.219 1188 K C 0.789 177.383 176.600 -0.009 0.000 0.946 1188 K CA 0.192 56.500 56.287 0.036 0.000 0.994 1188 K CB -0.729 31.790 32.500 0.031 0.000 1.580 1188 K HN 0.317 nan 8.250 nan 0.000 0.706 1189 I N 0.246 120.790 120.570 -0.043 0.000 3.366 1189 I HA 0.039 4.210 4.170 0.001 0.000 0.267 1189 I C 0.152 176.187 176.117 -0.137 0.000 1.149 1189 I CA 0.055 61.304 61.300 -0.083 0.000 1.436 1189 I CB 0.533 38.498 38.000 -0.057 0.000 1.379 1189 I HN 0.023 nan 8.210 nan 0.000 0.460 1190 D N 2.213 122.553 120.400 -0.100 0.000 2.468 1190 D HA 0.437 5.077 4.640 0.001 0.000 0.218 1190 D C -0.669 175.566 176.300 -0.107 0.000 1.155 1190 D CA 0.311 54.245 54.000 -0.111 0.000 0.924 1190 D CB 0.163 40.947 40.800 -0.027 0.000 1.029 1190 D HN 0.040 nan 8.370 nan 0.000 0.515 1191 I N 2.856 123.258 120.570 -0.280 0.000 2.769 1191 I HA 0.339 4.509 4.170 0.001 0.000 0.298 1191 I C -0.934 174.908 176.117 -0.458 0.000 1.128 1191 I CA -0.902 60.267 61.300 -0.219 0.000 1.031 1191 I CB 1.626 39.477 38.000 -0.248 0.000 1.235 1191 I HN 0.211 nan 8.210 nan 0.000 0.423 1192 Y N 2.257 122.503 120.300 -0.091 0.000 2.773 1192 Y HA 0.564 5.114 4.550 0.001 0.000 0.323 1192 Y C -0.330 175.562 175.900 -0.013 0.000 1.183 1192 Y CA -0.677 57.374 58.100 -0.082 0.000 1.144 1192 Y CB 1.282 39.690 38.460 -0.088 0.000 1.340 1192 Y HN 0.363 nan 8.280 nan 0.000 0.531 1193 Q N 2.109 121.960 119.800 0.085 0.000 2.289 1193 Q HA 0.687 5.027 4.340 0.001 0.000 0.270 1193 Q C -1.850 174.030 176.000 -0.201 0.000 1.038 1193 Q CA -0.643 55.081 55.803 -0.132 0.000 0.812 1193 Q CB 2.301 30.949 28.738 -0.151 0.000 1.300 1193 Q HN 0.742 nan 8.270 nan 0.000 0.427 1194 I N -0.654 119.752 120.570 -0.272 0.000 2.865 1194 I HA 0.565 4.735 4.170 0.001 0.000 0.302 1194 I C -1.290 174.676 176.117 -0.251 0.000 1.140 1194 I CA -1.089 60.062 61.300 -0.249 0.000 1.021 1194 I CB 2.395 40.338 38.000 -0.096 0.000 1.233 1194 I HN 0.563 nan 8.210 nan 0.000 0.427 1195 H N 5.356 124.389 119.070 -0.062 0.000 2.504 1195 H HA 0.735 5.291 4.556 0.001 0.000 0.322 1195 H C -0.470 174.849 175.328 -0.015 0.000 1.055 1195 H CA -0.408 55.610 56.048 -0.048 0.000 1.231 1195 H CB 1.530 31.277 29.762 -0.025 0.000 1.417 1195 H HN 0.737 nan 8.280 nan 0.000 0.472 1196 I N 0.329 120.975 120.570 0.127 0.000 3.191 1196 I HA 0.550 4.720 4.170 0.001 0.000 0.313 1196 I C -2.886 173.288 176.117 0.095 0.000 1.193 1196 I CA -2.845 58.504 61.300 0.082 0.000 0.968 1196 I CB 2.988 41.021 38.000 0.056 0.000 1.262 1196 I HN 0.157 nan 8.210 nan 0.000 0.456 1197 P HA -0.013 nan 4.420 nan 0.000 0.271 1197 P C 0.011 177.366 177.300 0.092 0.000 1.226 1197 P CA 0.324 63.458 63.100 0.057 0.000 0.765 1197 P CB 0.479 32.175 31.700 -0.006 0.000 0.835 1198 Y N 4.262 124.595 120.300 0.057 0.000 2.365 1198 Y HA -0.270 4.280 4.550 0.001 0.000 0.287 1198 Y C 2.310 178.184 175.900 -0.042 0.000 1.162 1198 Y CA 1.852 59.972 58.100 0.034 0.000 1.260 1198 Y CB -0.309 38.071 38.460 -0.133 0.000 0.976 1198 Y HN 0.481 nan 8.280 nan 0.000 0.548 1199 A N -0.025 122.873 122.820 0.130 0.000 1.933 1199 A HA -0.109 4.211 4.320 0.001 0.000 0.218 1199 A C 2.336 179.852 177.584 -0.115 0.000 1.175 1199 A CA 1.624 53.684 52.037 0.038 0.000 0.628 1199 A CB -1.181 17.820 19.000 0.001 0.000 0.814 1199 A HN 0.549 nan 8.150 nan 0.000 0.444 1200 A N -0.202 122.485 122.820 -0.222 0.000 1.975 1200 A HA -0.021 4.299 4.320 0.001 0.000 0.215 1200 A C 2.095 179.277 177.584 -0.670 0.000 1.170 1200 A CA 1.544 53.245 52.037 -0.560 0.000 0.656 1200 A CB -0.371 18.283 19.000 -0.577 0.000 0.821 1200 A HN 0.530 nan 8.150 nan 0.000 0.449 1201 K N 0.040 120.243 120.400 -0.328 0.000 2.032 1201 K HA -0.144 4.177 4.320 0.001 0.000 0.209 1201 K C 1.914 178.411 176.600 -0.172 0.000 1.048 1201 K CA 1.708 57.882 56.287 -0.187 0.000 0.927 1201 K CB -0.382 31.972 32.500 -0.244 0.000 0.712 1201 K HN 0.446 nan 8.250 nan 0.000 0.441 1202 L N 1.064 122.149 121.223 -0.230 0.000 2.017 1202 L HA -0.201 4.139 4.340 0.001 0.000 0.208 1202 L C 2.668 179.508 176.870 -0.049 0.000 1.073 1202 L CA 0.886 55.672 54.840 -0.091 0.000 0.745 1202 L CB -0.352 41.711 42.059 0.007 0.000 0.894 1202 L HN 0.301 nan 8.230 nan 0.000 0.432 1203 L N -0.515 120.624 121.223 -0.139 0.000 2.013 1203 L HA -0.288 4.053 4.340 0.001 0.000 0.212 1203 L C 2.185 179.113 176.870 0.097 0.000 1.073 1203 L CA 1.997 56.784 54.840 -0.088 0.000 0.753 1203 L CB -0.702 41.215 42.059 -0.236 0.000 0.890 1203 L HN 0.134 nan 8.230 nan 0.000 0.432 1204 F N -0.664 119.283 119.950 -0.005 0.000 2.075 1204 F HA -0.265 4.262 4.527 0.001 0.000 0.297 1204 F C 2.651 178.450 175.800 -0.002 0.000 1.113 1204 F CA 1.134 59.131 58.000 -0.005 0.000 1.218 1204 F CB -0.462 38.533 39.000 -0.008 0.000 0.984 1204 F HN 0.162 nan 8.300 nan 0.000 0.472 1205 Q N 0.489 120.411 119.800 0.203 0.000 2.096 1205 Q HA -0.241 4.099 4.340 0.001 0.000 0.204 1205 Q C 1.943 177.997 176.000 0.091 0.000 0.982 1205 Q CA 1.839 57.711 55.803 0.114 0.000 0.850 1205 Q CB -0.345 28.437 28.738 0.074 0.000 0.901 1205 Q HN 0.541 nan 8.270 nan 0.000 0.422 1206 E N 0.552 120.803 120.200 0.085 0.000 2.085 1206 E HA -0.194 4.156 4.350 0.001 0.000 0.194 1206 E C 2.053 178.694 176.600 0.069 0.000 0.994 1206 E CA 0.948 57.388 56.400 0.067 0.000 0.801 1206 E CB -0.148 29.584 29.700 0.054 0.000 0.743 1206 E HN 0.350 nan 8.360 nan 0.000 0.453 1207 L N 0.136 121.416 121.223 0.096 0.000 2.141 1207 L HA -0.154 4.187 4.340 0.001 0.000 0.209 1207 L C 2.526 179.427 176.870 0.052 0.000 1.094 1207 L CA 0.828 55.715 54.840 0.078 0.000 0.763 1207 L CB -0.233 41.891 42.059 0.108 0.000 0.908 1207 L HN 0.213 nan 8.230 nan 0.000 0.437 1208 M N -0.707 118.927 119.600 0.057 0.000 2.132 1208 M HA -0.140 4.340 4.480 0.001 0.000 0.263 1208 M C 2.430 178.750 176.300 0.033 0.000 1.065 1208 M CA 1.732 57.054 55.300 0.036 0.000 1.122 1208 M CB -0.452 32.173 32.600 0.042 0.000 1.365 1208 M HN 0.265 nan 8.290 nan 0.000 0.411 1209 A N -0.267 122.577 122.820 0.040 0.000 2.125 1209 A HA -0.083 4.237 4.320 0.001 0.000 0.219 1209 A C 1.912 179.513 177.584 0.028 0.000 1.156 1209 A CA 1.227 53.285 52.037 0.034 0.000 0.671 1209 A CB -0.629 18.394 19.000 0.037 0.000 0.794 1209 A HN 0.506 nan 8.150 nan 0.000 0.459 1210 M N -0.922 118.694 119.600 0.028 0.000 2.475 1210 M HA 0.126 4.606 4.480 0.001 0.000 0.261 1210 M C 0.537 176.846 176.300 0.016 0.000 1.177 1210 M CA -0.062 55.251 55.300 0.022 0.000 0.979 1210 M CB 0.005 32.619 32.600 0.024 0.000 1.482 1210 M HN 0.563 nan 8.290 nan 0.000 0.484 1211 N N 1.197 119.906 118.700 0.015 0.000 2.850 1211 N HA -0.171 4.569 4.740 0.001 0.000 0.249 1211 N C -0.697 174.814 175.510 0.003 0.000 1.060 1211 N CA 0.537 53.593 53.050 0.009 0.000 0.825 1211 N CB -0.625 37.867 38.487 0.008 0.000 1.132 1211 N HN 0.401 nan 8.380 nan 0.000 0.564 1212 I N 1.303 121.875 120.570 0.003 0.000 2.460 1212 I HA 0.186 4.356 4.170 0.001 0.000 0.298 1212 I C 0.631 176.735 176.117 -0.022 0.000 0.989 1212 I CA -0.352 60.943 61.300 -0.009 0.000 1.173 1212 I CB 1.632 39.630 38.000 -0.003 0.000 1.338 1212 I HN 0.120 nan 8.210 nan 0.000 0.456 1213 T N 4.037 118.565 114.554 -0.043 0.000 2.853 1213 T HA 0.486 4.836 4.350 0.001 0.000 0.317 1213 T C -2.339 172.285 174.700 -0.126 0.000 1.059 1213 T CA -1.653 60.406 62.100 -0.069 0.000 0.954 1213 T CB 0.757 69.593 68.868 -0.054 0.000 0.994 1213 T HN 0.326 nan 8.240 nan 0.000 0.479 1214 P HA 0.331 nan 4.420 nan 0.000 0.274 1214 P C -0.355 176.724 177.300 -0.368 0.000 1.504 1214 P CA -0.670 62.233 63.100 -0.329 0.000 1.011 1214 P CB 0.587 31.982 31.700 -0.509 0.000 1.366 1215 R N 3.122 123.449 120.500 -0.289 0.000 2.442 1215 R HA 0.340 4.680 4.340 0.001 0.000 0.291 1215 R C 0.089 176.260 176.300 -0.215 0.000 1.069 1215 R CA -0.527 55.429 56.100 -0.239 0.000 1.022 1215 R CB 0.652 30.703 30.300 -0.414 0.000 0.976 1215 R HN 0.515 nan 8.270 nan 0.000 0.443 1216 L N 5.208 126.425 121.223 -0.009 0.000 2.295 1216 L HA 0.336 4.676 4.340 0.001 0.000 0.281 1216 L C -0.896 176.164 176.870 0.317 0.000 1.018 1216 L CA -0.559 54.308 54.840 0.045 0.000 0.841 1216 L CB 0.408 42.462 42.059 -0.009 0.000 1.218 1216 L HN 0.419 nan 8.230 nan 0.000 0.424 1217 Y N 0.951 121.172 120.300 -0.133 0.000 2.364 1217 Y HA 0.227 4.777 4.550 0.001 0.000 0.340 1217 Y C 1.522 177.308 175.900 -0.189 0.000 0.975 1217 Y CA -1.429 56.576 58.100 -0.159 0.000 1.089 1217 Y CB 1.950 40.337 38.460 -0.122 0.000 1.192 1217 Y HN 0.535 nan 8.280 nan 0.000 0.454 1218 T N -2.326 112.097 114.554 -0.219 0.000 3.169 1218 T HA 0.152 4.503 4.350 0.001 0.000 0.250 1218 T C -0.439 174.153 174.700 -0.180 0.000 1.111 1218 T CA 0.057 61.993 62.100 -0.273 0.000 1.010 1218 T CB -0.658 67.857 68.868 -0.589 0.000 0.984 1218 T HN 0.551 nan 8.240 nan 0.000 0.537 1219 D N 0.030 120.370 120.400 -0.101 0.000 2.859 1219 D HA 0.322 4.963 4.640 0.001 0.000 0.223 1219 D C -0.478 175.828 176.300 0.010 0.000 1.218 1219 D CA -1.074 52.897 54.000 -0.048 0.000 0.850 1219 D CB 1.193 41.956 40.800 -0.061 0.000 1.656 1219 D HN 0.320 nan 8.370 nan 0.000 0.484 1220 R N 0.426 120.934 120.500 0.013 0.000 2.490 1220 R HA 0.630 4.970 4.340 0.001 0.000 0.278 1220 R C -0.053 176.268 176.300 0.036 0.000 1.069 1220 R CA -0.600 55.517 56.100 0.028 0.000 1.080 1220 R CB 0.887 31.203 30.300 0.026 0.000 1.030 1220 R HN 0.601 nan 8.270 nan 0.000 0.491 1221 S N 0.882 116.609 115.700 0.046 0.000 2.691 1221 S HA 0.017 4.488 4.470 0.001 0.000 0.258 1221 S C 1.496 176.129 174.600 0.055 0.000 1.078 1221 S CA -0.601 57.627 58.200 0.047 0.000 1.000 1221 S CB -0.006 63.228 63.200 0.056 0.000 0.942 1221 S HN 0.700 nan 8.310 nan 0.000 0.521 1222 R N 1.906 122.443 120.500 0.063 0.000 2.328 1222 R HA 0.042 4.382 4.340 0.001 0.000 0.206 1222 R C -0.189 176.215 176.300 0.172 0.000 0.990 1222 R CA 0.568 56.727 56.100 0.099 0.000 1.085 1222 R CB -0.634 29.709 30.300 0.070 0.000 0.998 1222 R HN 0.402 nan 8.270 nan 0.000 0.484 1223 D N -0.437 120.036 120.400 0.122 0.000 3.424 1223 D HA -0.338 4.302 4.640 0.001 0.000 0.162 1223 D C 0.193 176.644 176.300 0.251 0.000 1.055 1223 D CA 2.181 56.255 54.000 0.124 0.000 1.016 1223 D CB -0.453 40.378 40.800 0.052 0.000 0.500 1223 D HN 0.135 nan 8.370 nan 0.000 0.501 1224 F N 0.000 119.947 119.950 -0.004 0.000 2.286 1224 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1224 F CA 0.000 57.997 58.000 -0.004 0.000 1.383 1224 F CB 0.000 38.996 39.000 -0.006 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574