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 3i89_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSYNYVVTAQ KPTAVNGcVT GHFTSAEDLN LLIAKNTRLE IYVVTAEGLR DATA SEQUENCE PVKEVGMYGK IAVMELFRPK GESKDLLFIL TAKYNACILE YKQSGESIDI DATA SEQUENCE ITRAHGNVQD RIGRPSETGI IGIIDPECRM IGLRLYDGLF KVIPLDRDNK DATA SEQUENCE ELKAFNIRLE ELHVIDVKFL YGCQAPTICF VYQDPQGRHV KTYEVSLREK DATA SEQUENCE EFNKGPWKQE NVEAEASMVI AVPEPFGGAI IIGQESITYH NGDKYLAIAP DATA SEQUENCE PIIKQSTIVC HNRVDPNGSR YLLGDMEGRL FMLLLEKEEQ MDGTVTLKDL DATA SEQUENCE RVELLGETSI AEcLTYLDNG VVFVGSRLGD SQLVKLNVDS NEQGSYVVAM DATA SEQUENCE ETFTNLGPIV DMCVVDLERQ GQGQLVTCSG AFKEGSLRII RNGIGIHEHA DATA SEQUENCE SIDLPGIKGL WPLRSDPNRE TYDTLVLSFV GQTRVLMLNG EEVEETELMG DATA SEQUENCE FVDDQQTFFC GNVAHQQLIQ ITSASVRLVS QEPKALVSEW KEPQAKNISV DATA SEQUENCE ASCNSSQVVV AVGRALYYLQ IHPQELRQIS HTEMEHEVAC LDITPLGDSN DATA SEQUENCE GLSPLCAIGL WTDISARILK LPSFELLHKE MLGGEIIPRS ILMTTFESSH DATA SEQUENCE YLLCALGDGA LFYFGLNIET GLLSDRKKVT LGTQPTVLRT FRSLSTTNVF DATA SEQUENCE ACSDRPTVIY SSNHKLVFSN VNLKEVNYMC PLNSDGYPDS LALANNSTLT DATA SEQUENCE IGTIDEIQKL HIRTVPLYES PRKICYQEVS QCFGVLSSRI EVQDTSGGTT DATA SEQUENCE ALRPSASTQA LSSSVSSSKL FSSXXXXXXX XXGEEVEVHN LLIIDQHTFE DATA SEQUENCE VLHAHQFLQN EYALSLVSCK LGKDPNTYFI VGTAMVYPEE AEPKQGRIVV DATA SEQUENCE FQYSDGKLQT VAEKEVKGAV YSMVEFNGKL LASINSTVRL YEWTTEKDVR DATA SEQUENCE TECNHYNNIM ALYLKTKGDF ILVGDLMRSV LLLAYKPMEG NFEEIARDFN DATA SEQUENCE PNWMSAVEIL DDDNFLGAEN AFNLFVCQKD SAATTDEERQ HLQEVGLFHL DATA SEQUENCE GEFVNVFCHG SLVMQXXXXX XXPTQGSVLF GTVNGMIGLV TSLSESWYNL DATA SEQUENCE LLDMQNRLNK VIKSVGKIEH SFWRSFHTER KTEPATGFID GDLIESFLDI DATA SEQUENCE SRPKMQEVVA NXXXXXXXXX XREATADDLI KVVEELTRIH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.648 176.300 -1.086 0.000 1.140 1 M CA 0.000 54.925 55.300 -0.625 0.000 0.988 1 M CB 0.000 32.485 32.600 -0.192 0.000 1.302 2 S N 1.255 116.339 115.700 -1.027 0.000 2.508 2 S HA 0.817 5.290 4.470 0.006 0.000 0.284 2 S C -1.408 172.531 174.600 -1.101 0.000 1.192 2 S CA -0.086 57.593 58.200 -0.868 0.000 1.070 2 S CB 0.673 63.570 63.200 -0.505 0.000 1.004 2 S HN 0.420 nan 8.310 nan 0.000 0.493 3 Y N 3.314 123.430 120.300 -0.308 0.000 2.307 3 Y HA 0.509 5.063 4.550 0.006 0.000 0.323 3 Y C 0.117 175.935 175.900 -0.136 0.000 1.100 3 Y CA -1.041 56.911 58.100 -0.246 0.000 1.140 3 Y CB 1.153 39.517 38.460 -0.160 0.000 1.159 3 Y HN 0.626 nan 8.280 nan 0.000 0.436 4 N N 1.293 119.947 118.700 -0.077 0.000 2.761 4 N HA 0.443 5.187 4.740 0.006 0.000 0.283 4 N C -1.959 173.635 175.510 0.140 0.000 1.377 4 N CA -0.968 52.044 53.050 -0.064 0.000 0.791 4 N CB 3.014 41.294 38.487 -0.344 0.000 1.540 4 N HN 0.627 nan 8.380 nan 0.000 0.539 5 Y N 0.520 120.842 120.300 0.036 0.000 2.433 5 Y HA 0.432 4.985 4.550 0.006 0.000 0.337 5 Y C -1.260 174.685 175.900 0.074 0.000 1.026 5 Y CA -0.770 57.375 58.100 0.074 0.000 1.037 5 Y CB 1.158 39.657 38.460 0.065 0.000 1.245 5 Y HN 0.289 nan 8.280 nan 0.000 0.443 6 V N 4.289 124.071 119.914 -0.220 0.000 2.540 6 V HA 0.934 5.057 4.120 0.006 0.000 0.302 6 V C -1.191 174.794 176.094 -0.183 0.000 1.035 6 V CA -0.929 61.313 62.300 -0.095 0.000 0.873 6 V CB 0.991 32.692 31.823 -0.204 0.000 0.992 6 V HN 0.608 nan 8.190 nan 0.000 0.428 7 V N 1.141 121.044 119.914 -0.018 0.000 2.925 7 V HA 0.553 4.677 4.120 0.006 0.000 0.311 7 V C 0.330 176.356 176.094 -0.113 0.000 1.104 7 V CA -0.581 61.684 62.300 -0.058 0.000 0.954 7 V CB 1.806 33.607 31.823 -0.036 0.000 1.022 7 V HN 0.920 nan 8.190 nan 0.000 0.427 8 T N 2.521 117.031 114.554 -0.074 0.000 2.916 8 T HA 0.432 4.786 4.350 0.006 0.000 0.303 8 T C 0.970 175.518 174.700 -0.254 0.000 1.025 8 T CA 0.734 62.768 62.100 -0.111 0.000 1.142 8 T CB 1.419 70.287 68.868 -0.001 0.000 0.947 8 T HN 1.074 nan 8.240 nan 0.000 0.544 9 A N 2.767 125.431 122.820 -0.261 0.000 2.026 9 A HA 0.339 4.663 4.320 0.006 0.000 0.201 9 A C 0.783 178.349 177.584 -0.030 0.000 1.318 9 A CA 0.156 52.071 52.037 -0.204 0.000 0.857 9 A CB 0.298 19.170 19.000 -0.213 0.000 0.939 9 A HN 0.594 nan 8.150 nan 0.000 0.476 10 Q N 0.917 120.674 119.800 -0.072 0.000 2.304 10 Q HA 0.462 4.806 4.340 0.006 0.000 0.270 10 Q C -1.154 174.828 176.000 -0.031 0.000 1.035 10 Q CA -0.396 55.386 55.803 -0.035 0.000 0.781 10 Q CB 1.102 29.809 28.738 -0.051 0.000 1.261 10 Q HN 0.309 nan 8.270 nan 0.000 0.444 11 K N 4.187 124.585 120.400 -0.003 0.000 2.397 11 K HA 0.195 4.519 4.320 0.006 0.000 0.265 11 K C -2.208 174.391 176.600 -0.002 0.000 0.982 11 K CA -1.317 54.973 56.287 0.006 0.000 0.931 11 K CB -0.085 32.422 32.500 0.012 0.000 0.943 11 K HN 0.511 nan 8.250 nan 0.000 0.501 12 P HA -0.060 nan 4.420 nan 0.000 0.265 12 P C 0.299 177.596 177.300 -0.005 0.000 1.193 12 P CA 0.217 63.317 63.100 -0.001 0.000 0.765 12 P CB 0.649 32.351 31.700 0.003 0.000 0.823 13 T N -0.992 113.558 114.554 -0.007 0.000 3.001 13 T HA 0.339 4.693 4.350 0.006 0.000 0.251 13 T C 0.815 175.517 174.700 0.004 0.000 1.040 13 T CA -0.050 62.050 62.100 0.000 0.000 0.985 13 T CB -0.150 68.718 68.868 0.001 0.000 1.011 13 T HN 0.394 nan 8.240 nan 0.000 0.509 14 A N 1.338 124.155 122.820 -0.005 0.000 2.483 14 A HA 0.548 4.871 4.320 0.006 0.000 0.238 14 A C 0.058 177.643 177.584 0.002 0.000 1.070 14 A CA -0.263 51.771 52.037 -0.005 0.000 0.770 14 A CB 0.189 19.180 19.000 -0.016 0.000 1.008 14 A HN 0.382 nan 8.150 nan 0.000 0.497 15 V N 4.013 123.935 119.914 0.014 0.000 2.293 15 V HA 0.135 4.258 4.120 0.006 0.000 0.275 15 V C 0.396 176.499 176.094 0.014 0.000 1.021 15 V CA -0.502 61.817 62.300 0.030 0.000 0.815 15 V CB 0.747 32.626 31.823 0.093 0.000 1.025 15 V HN 0.953 nan 8.190 nan 0.000 0.448 16 N N 3.498 122.193 118.700 -0.009 0.000 2.416 16 N HA 0.143 4.887 4.740 0.006 0.000 0.177 16 N C 0.686 176.185 175.510 -0.017 0.000 1.036 16 N CA 0.890 53.926 53.050 -0.023 0.000 0.901 16 N CB 0.826 39.284 38.487 -0.049 0.000 0.976 16 N HN 0.780 nan 8.380 nan 0.000 0.444 17 G N -0.847 107.948 108.800 -0.009 0.000 2.547 17 G HA2 0.483 4.447 3.960 0.006 0.000 0.291 17 G HA3 0.483 4.447 3.960 0.006 0.000 0.291 17 G C -1.693 173.205 174.900 -0.002 0.000 1.471 17 G CA -0.490 44.606 45.100 -0.007 0.000 0.798 17 G HN 0.250 nan 8.290 nan 0.000 0.504 18 c N -0.926 117.676 118.600 0.002 0.000 3.146 18 c HA 0.819 5.393 4.570 0.006 0.000 0.405 18 c C -1.023 173.054 174.090 -0.022 0.000 1.012 18 c CA -0.813 55.504 56.329 -0.019 0.000 1.217 18 c CB 0.752 43.287 42.510 0.043 0.000 1.599 18 c HN 1.436 nan 8.230 nan 0.000 0.567 19 V N 2.011 121.887 119.914 -0.064 0.000 3.040 19 V HA 0.888 5.012 4.120 0.006 0.000 0.312 19 V C -0.209 175.844 176.094 -0.068 0.000 1.115 19 V CA 0.324 62.599 62.300 -0.042 0.000 0.998 19 V CB 2.409 34.212 31.823 -0.033 0.000 1.042 19 V HN 1.244 nan 8.190 nan 0.000 0.433 20 T N 2.878 117.409 114.554 -0.038 0.000 2.885 20 T HA 0.910 5.264 4.350 0.006 0.000 0.285 20 T C -0.182 174.477 174.700 -0.068 0.000 1.019 20 T CA 0.478 62.539 62.100 -0.066 0.000 1.010 20 T CB 1.093 69.933 68.868 -0.047 0.000 1.022 20 T HN 1.692 nan 8.240 nan 0.000 0.466 21 G N 2.232 110.946 108.800 -0.144 0.000 2.333 21 G HA2 0.294 4.258 3.960 0.006 0.000 0.288 21 G HA3 0.294 4.258 3.960 0.006 0.000 0.288 21 G C -1.976 172.749 174.900 -0.291 0.000 1.286 21 G CA -0.835 44.152 45.100 -0.189 0.000 0.865 21 G HN 0.781 nan 8.290 nan 0.000 0.506 22 H N 0.054 119.170 119.070 0.077 0.000 2.690 22 H HA 0.537 5.097 4.556 0.006 0.000 0.280 22 H C -0.042 175.361 175.328 0.124 0.000 1.138 22 H CA -0.475 55.616 56.048 0.072 0.000 1.241 22 H CB 1.063 30.853 29.762 0.046 0.000 1.394 22 H HN 0.380 nan 8.280 nan 0.000 0.489 23 F N 1.093 121.042 119.950 -0.002 0.000 2.752 23 F HA 0.127 4.658 4.527 0.006 0.000 0.310 23 F C 1.419 177.191 175.800 -0.046 0.000 1.097 23 F CA 0.341 58.322 58.000 -0.032 0.000 1.238 23 F CB 0.725 39.674 39.000 -0.084 0.000 1.061 23 F HN 0.351 nan 8.300 nan 0.000 0.591 24 T N -0.303 114.164 114.554 -0.144 0.000 2.901 24 T HA 0.196 4.550 4.350 0.006 0.000 0.252 24 T C 0.270 174.988 174.700 0.030 0.000 1.035 24 T CA 1.153 63.133 62.100 -0.198 0.000 1.142 24 T CB -0.050 68.652 68.868 -0.276 0.000 0.869 24 T HN 0.141 nan 8.240 nan 0.000 0.442 25 S N -0.750 114.973 115.700 0.039 0.000 2.596 25 S HA 0.680 5.154 4.470 0.006 0.000 0.270 25 S C 0.936 175.576 174.600 0.068 0.000 1.155 25 S CA -0.427 57.801 58.200 0.046 0.000 0.827 25 S CB 1.547 64.771 63.200 0.040 0.000 1.130 25 S HN 0.186 nan 8.310 nan 0.000 0.467 26 A N 0.212 123.043 122.820 0.018 0.000 1.972 26 A HA 0.043 4.367 4.320 0.006 0.000 0.219 26 A C 0.388 177.914 177.584 -0.096 0.000 1.169 26 A CA 1.293 53.306 52.037 -0.041 0.000 0.635 26 A CB -0.598 18.367 19.000 -0.059 0.000 0.810 26 A HN 0.759 nan 8.150 nan 0.000 0.446 27 E N 0.709 120.902 120.200 -0.012 0.000 2.114 27 E HA 0.649 5.003 4.350 0.006 0.000 0.266 27 E C -1.452 175.204 176.600 0.094 0.000 0.896 27 E CA -0.680 55.740 56.400 0.034 0.000 0.750 27 E CB 0.898 30.603 29.700 0.009 0.000 1.121 27 E HN 0.121 nan 8.360 nan 0.000 0.413 28 D N 1.308 121.824 120.400 0.193 0.000 2.724 28 D HA 0.145 4.788 4.640 0.006 0.000 0.227 28 D C -2.078 174.317 176.300 0.159 0.000 1.004 28 D CA -0.515 53.560 54.000 0.126 0.000 0.838 28 D CB 0.859 41.698 40.800 0.065 0.000 3.251 28 D HN 0.373 nan 8.370 nan 0.000 0.464 29 L N 2.893 124.132 121.223 0.027 0.000 2.305 29 L HA 0.631 4.975 4.340 0.006 0.000 0.284 29 L C -1.004 175.804 176.870 -0.103 0.000 1.013 29 L CA -0.238 54.530 54.840 -0.121 0.000 0.819 29 L CB 1.156 43.154 42.059 -0.101 0.000 1.227 29 L HN 0.280 nan 8.230 nan 0.000 0.417 30 N N 4.596 123.213 118.700 -0.137 0.000 2.335 30 N HA 0.556 5.299 4.740 0.006 0.000 0.304 30 N C -1.526 173.921 175.510 -0.105 0.000 1.135 30 N CA -0.511 52.487 53.050 -0.086 0.000 0.817 30 N CB 2.721 41.182 38.487 -0.043 0.000 1.294 30 N HN 0.523 nan 8.380 nan 0.000 0.497 31 L N 1.698 122.867 121.223 -0.089 0.000 2.349 31 L HA 0.492 4.836 4.340 0.006 0.000 0.278 31 L C -1.692 175.113 176.870 -0.108 0.000 0.996 31 L CA -0.630 54.120 54.840 -0.150 0.000 0.825 31 L CB 1.099 42.992 42.059 -0.277 0.000 1.243 31 L HN 0.274 nan 8.230 nan 0.000 0.412 32 L N 6.461 127.597 121.223 -0.146 0.000 2.282 32 L HA 0.545 4.889 4.340 0.006 0.000 0.288 32 L C -0.472 176.305 176.870 -0.155 0.000 1.033 32 L CA -0.001 54.753 54.840 -0.143 0.000 0.807 32 L CB 1.328 43.271 42.059 -0.194 0.000 1.209 32 L HN 0.551 nan 8.230 nan 0.000 0.423 33 I N 3.019 123.514 120.570 -0.125 0.000 2.406 33 I HA 0.610 4.784 4.170 0.006 0.000 0.290 33 I C -0.095 175.970 176.117 -0.087 0.000 0.999 33 I CA -0.442 60.781 61.300 -0.128 0.000 1.124 33 I CB 1.898 39.805 38.000 -0.155 0.000 1.289 33 I HN 0.676 nan 8.210 nan 0.000 0.441 34 A N 7.073 129.849 122.820 -0.074 0.000 2.288 34 A HA 0.613 4.937 4.320 0.006 0.000 0.320 34 A C 0.243 177.793 177.584 -0.057 0.000 1.217 34 A CA -0.516 51.473 52.037 -0.079 0.000 0.840 34 A CB 0.846 19.795 19.000 -0.086 0.000 1.179 34 A HN 0.770 nan 8.150 nan 0.000 0.504 35 K N 1.257 121.620 120.400 -0.062 0.000 2.323 35 K HA 0.147 4.471 4.320 0.006 0.000 0.232 35 K C 0.740 177.307 176.600 -0.055 0.000 1.068 35 K CA 0.604 56.864 56.287 -0.044 0.000 0.892 35 K CB 0.084 32.565 32.500 -0.032 0.000 1.207 35 K HN 0.663 nan 8.250 nan 0.000 0.456 36 N N -0.415 118.249 118.700 -0.059 0.000 2.765 36 N HA -0.047 4.697 4.740 0.006 0.000 0.256 36 N C 0.082 175.536 175.510 -0.094 0.000 0.985 36 N CA 1.283 54.291 53.050 -0.071 0.000 0.980 36 N CB 0.744 39.207 38.487 -0.040 0.000 1.701 36 N HN 0.188 nan 8.380 nan 0.000 0.683 37 T N -1.431 113.078 114.554 -0.074 0.000 3.487 37 T HA 0.534 4.888 4.350 0.006 0.000 0.287 37 T C -0.383 174.255 174.700 -0.104 0.000 1.004 37 T CA -0.551 61.472 62.100 -0.127 0.000 0.977 37 T CB 0.183 69.000 68.868 -0.085 0.000 1.180 37 T HN -0.091 nan 8.240 nan 0.000 0.490 38 R N 0.951 121.397 120.500 -0.090 0.000 2.574 38 R HA 0.571 4.914 4.340 0.006 0.000 0.288 38 R C -1.884 174.360 176.300 -0.094 0.000 1.004 38 R CA -0.813 55.239 56.100 -0.079 0.000 0.895 38 R CB 2.399 32.670 30.300 -0.048 0.000 1.191 38 R HN 0.331 nan 8.270 nan 0.000 0.444 39 L N 2.167 123.328 121.223 -0.103 0.000 2.316 39 L HA 0.446 4.790 4.340 0.006 0.000 0.280 39 L C -0.510 176.289 176.870 -0.118 0.000 1.006 39 L CA -0.143 54.630 54.840 -0.112 0.000 0.836 39 L CB 1.489 43.475 42.059 -0.122 0.000 1.221 39 L HN 0.517 nan 8.230 nan 0.000 0.418 40 E N 4.989 125.117 120.200 -0.119 0.000 2.175 40 E HA 0.581 4.935 4.350 0.006 0.000 0.278 40 E C -1.101 175.374 176.600 -0.209 0.000 0.969 40 E CA -0.281 56.009 56.400 -0.183 0.000 0.796 40 E CB 1.650 31.317 29.700 -0.054 0.000 1.104 40 E HN 0.545 nan 8.360 nan 0.000 0.395 41 I N 4.109 124.441 120.570 -0.397 0.000 2.468 41 I HA 0.302 4.476 4.170 0.006 0.000 0.284 41 I C -1.247 174.621 176.117 -0.415 0.000 1.038 41 I CA -0.687 60.449 61.300 -0.273 0.000 1.083 41 I CB 0.666 38.554 38.000 -0.186 0.000 1.223 41 I HN 0.469 nan 8.210 nan 0.000 0.443 42 Y N 4.556 124.754 120.300 -0.171 0.000 2.562 42 Y HA 0.635 5.189 4.550 0.006 0.000 0.343 42 Y C -0.043 175.775 175.900 -0.138 0.000 1.025 42 Y CA -1.147 56.861 58.100 -0.152 0.000 1.082 42 Y CB 1.956 40.306 38.460 -0.182 0.000 1.264 42 Y HN 0.109 nan 8.280 nan 0.000 0.478 43 V N 2.882 122.830 119.914 0.058 0.000 2.370 43 V HA 0.342 4.466 4.120 0.006 0.000 0.283 43 V C -0.262 175.846 176.094 0.023 0.000 1.023 43 V CA -1.147 61.159 62.300 0.010 0.000 0.857 43 V CB 0.976 32.794 31.823 -0.007 0.000 0.985 43 V HN 0.555 nan 8.190 nan 0.000 0.443 44 V N 4.632 124.538 119.914 -0.013 0.000 2.740 44 V HA 0.465 4.589 4.120 0.006 0.000 0.303 44 V C 0.718 176.808 176.094 -0.007 0.000 1.054 44 V CA 0.304 62.588 62.300 -0.026 0.000 1.106 44 V CB 0.840 32.627 31.823 -0.059 0.000 0.957 44 V HN 1.132 nan 8.190 nan 0.000 0.486 45 T N 0.430 114.984 114.554 -0.000 0.000 2.864 45 T HA 0.672 5.026 4.350 0.006 0.000 0.299 45 T C 0.941 175.645 174.700 0.007 0.000 1.166 45 T CA -0.112 61.993 62.100 0.009 0.000 1.007 45 T CB 1.795 70.675 68.868 0.021 0.000 1.219 45 T HN 0.900 nan 8.240 nan 0.000 0.506 46 A N 0.862 123.688 122.820 0.011 0.000 1.935 46 A HA -0.279 4.044 4.320 0.006 0.000 0.224 46 A C 2.143 179.735 177.584 0.014 0.000 1.324 46 A CA 2.675 54.719 52.037 0.012 0.000 0.686 46 A CB -1.226 17.784 19.000 0.017 0.000 0.837 46 A HN 0.983 nan 8.150 nan 0.000 0.481 47 E N -0.800 119.413 120.200 0.021 0.000 2.046 47 E HA 0.184 4.538 4.350 0.006 0.000 0.190 47 E C 1.265 177.882 176.600 0.029 0.000 0.982 47 E CA 1.828 58.244 56.400 0.027 0.000 0.800 47 E CB -0.092 29.629 29.700 0.036 0.000 0.756 47 E HN 0.711 nan 8.360 nan 0.000 0.449 48 G N 0.182 109.000 108.800 0.030 0.000 2.341 48 G HA2 0.081 4.045 3.960 0.006 0.000 0.059 48 G HA3 0.081 4.045 3.960 0.006 0.000 0.059 48 G C -1.595 173.321 174.900 0.028 0.000 0.897 48 G CA -0.147 44.973 45.100 0.034 0.000 1.142 48 G HN 0.077 nan 8.290 nan 0.000 0.433 49 L N 1.893 123.143 121.223 0.045 0.000 2.301 49 L HA 0.565 4.909 4.340 0.006 0.000 0.278 49 L C 0.698 177.667 176.870 0.166 0.000 1.022 49 L CA -0.642 54.221 54.840 0.040 0.000 0.854 49 L CB 1.172 43.122 42.059 -0.183 0.000 1.226 49 L HN 0.570 nan 8.230 nan 0.000 0.429 50 R N 5.482 126.064 120.500 0.137 0.000 2.309 50 R HA 0.270 4.614 4.340 0.006 0.000 0.331 50 R C -2.319 174.054 176.300 0.121 0.000 1.116 50 R CA -1.290 54.878 56.100 0.113 0.000 0.970 50 R CB 0.457 30.789 30.300 0.053 0.000 1.024 50 R HN 0.281 nan 8.270 nan 0.000 0.472 51 P HA -0.012 nan 4.420 nan 0.000 0.271 51 P C -0.259 176.935 177.300 -0.176 0.000 1.216 51 P CA -0.167 62.809 63.100 -0.206 0.000 0.776 51 P CB 1.427 33.032 31.700 -0.158 0.000 0.881 52 V N 1.202 120.957 119.914 -0.266 0.000 3.245 52 V HA 0.234 4.358 4.120 0.006 0.000 0.246 52 V C -0.152 175.878 176.094 -0.106 0.000 1.487 52 V CA 0.811 63.027 62.300 -0.141 0.000 1.154 52 V CB 0.489 32.231 31.823 -0.134 0.000 0.971 52 V HN 0.441 nan 8.190 nan 0.000 0.443 53 K N 0.896 121.190 120.400 -0.176 0.000 2.561 53 K HA 0.392 4.715 4.320 0.006 0.000 0.254 53 K C -1.360 175.150 176.600 -0.150 0.000 0.942 53 K CA -0.129 56.101 56.287 -0.095 0.000 0.818 53 K CB 1.746 34.258 32.500 0.020 0.000 1.306 53 K HN -0.009 nan 8.250 nan 0.000 0.435 54 E N 4.025 124.159 120.200 -0.110 0.000 2.437 54 E HA 0.257 4.611 4.350 0.006 0.000 0.238 54 E C -0.910 175.646 176.600 -0.074 0.000 0.969 54 E CA -0.589 55.743 56.400 -0.113 0.000 0.759 54 E CB 1.003 30.636 29.700 -0.112 0.000 1.283 54 E HN 0.493 nan 8.360 nan 0.000 0.416 55 V N 0.831 120.701 119.914 -0.073 0.000 2.617 55 V HA 0.853 4.977 4.120 0.006 0.000 0.298 55 V C 0.678 176.715 176.094 -0.094 0.000 1.048 55 V CA -0.722 61.532 62.300 -0.076 0.000 0.964 55 V CB 1.554 33.334 31.823 -0.073 0.000 1.004 55 V HN 0.453 nan 8.190 nan 0.000 0.466 56 G N 3.011 111.751 108.800 -0.101 0.000 2.462 56 G HA2 0.713 4.677 3.960 0.006 0.000 0.319 56 G HA3 0.713 4.677 3.960 0.006 0.000 0.319 56 G C -0.789 173.988 174.900 -0.205 0.000 1.171 56 G CA -0.945 44.087 45.100 -0.115 0.000 0.920 56 G HN 0.718 nan 8.290 nan 0.000 0.499 57 M N -0.856 118.597 119.600 -0.246 0.000 2.719 57 M HA 0.306 4.790 4.480 0.006 0.000 0.291 57 M C -1.188 174.838 176.300 -0.457 0.000 1.264 57 M CA -0.752 54.322 55.300 -0.377 0.000 0.811 57 M CB 2.559 34.960 32.600 -0.331 0.000 1.756 57 M HN 0.435 nan 8.290 nan 0.000 0.464 58 Y N 0.638 120.558 120.300 -0.633 0.000 2.928 58 Y HA 0.594 5.148 4.550 0.006 0.000 0.390 58 Y C 0.540 175.480 175.900 -1.600 0.000 1.101 58 Y CA -0.838 56.531 58.100 -1.217 0.000 1.777 58 Y CB -0.152 38.018 38.460 -0.483 0.000 1.720 58 Y HN 0.679 nan 8.280 nan 0.000 0.484 59 G N -0.073 107.832 108.800 -1.490 0.000 2.519 59 G HA2 0.326 4.289 3.960 0.006 0.000 0.292 59 G HA3 0.326 4.289 3.960 0.006 0.000 0.292 59 G C -1.461 173.091 174.900 -0.579 0.000 1.507 59 G CA -1.203 43.302 45.100 -0.990 0.000 0.806 59 G HN 0.012 nan 8.290 nan 0.000 0.523 60 K N 1.155 121.414 120.400 -0.234 0.000 2.273 60 K HA 0.318 4.641 4.320 0.006 0.000 0.287 60 K C 0.311 176.805 176.600 -0.177 0.000 1.089 60 K CA -0.336 55.866 56.287 -0.141 0.000 0.909 60 K CB 1.084 33.537 32.500 -0.078 0.000 1.123 60 K HN 0.375 nan 8.250 nan 0.000 0.473 61 I N 3.206 123.665 120.570 -0.185 0.000 2.872 61 I HA -0.207 3.967 4.170 0.006 0.000 0.287 61 I C 1.209 177.234 176.117 -0.154 0.000 1.197 61 I CA 0.331 61.523 61.300 -0.180 0.000 1.390 61 I CB 0.562 38.461 38.000 -0.169 0.000 1.400 61 I HN 0.768 nan 8.210 nan 0.000 0.544 62 A N 6.299 129.022 122.820 -0.161 0.000 1.993 62 A HA 0.349 4.673 4.320 0.006 0.000 0.207 62 A C 0.652 178.176 177.584 -0.100 0.000 1.224 62 A CA 0.378 52.337 52.037 -0.131 0.000 0.749 62 A CB 0.500 19.410 19.000 -0.151 0.000 0.884 62 A HN 0.436 nan 8.150 nan 0.000 0.467 63 V N 0.062 119.905 119.914 -0.118 0.000 2.735 63 V HA 0.641 4.764 4.120 0.006 0.000 0.310 63 V C -0.578 175.444 176.094 -0.121 0.000 1.061 63 V CA -0.300 61.959 62.300 -0.068 0.000 0.913 63 V CB 1.632 33.460 31.823 0.009 0.000 1.005 63 V HN 0.517 nan 8.190 nan 0.000 0.428 64 M N 3.922 123.494 119.600 -0.046 0.000 2.221 64 M HA 0.526 5.009 4.480 0.006 0.000 0.259 64 M C -1.926 174.391 176.300 0.028 0.000 1.001 64 M CA -0.182 55.080 55.300 -0.063 0.000 1.009 64 M CB 1.534 34.072 32.600 -0.102 0.000 1.939 64 M HN 0.622 nan 8.290 nan 0.000 0.477 65 E N 4.174 124.441 120.200 0.112 0.000 2.317 65 E HA 0.586 4.940 4.350 0.006 0.000 0.270 65 E C -1.452 175.278 176.600 0.216 0.000 0.885 65 E CA -0.610 55.886 56.400 0.160 0.000 0.760 65 E CB 3.026 32.839 29.700 0.190 0.000 1.227 65 E HN 0.749 nan 8.360 nan 0.000 0.434 66 L N 2.562 123.898 121.223 0.189 0.000 2.344 66 L HA 0.654 4.998 4.340 0.006 0.000 0.272 66 L C -0.357 176.748 176.870 0.392 0.000 1.035 66 L CA -0.828 54.148 54.840 0.227 0.000 0.807 66 L CB 0.636 42.739 42.059 0.073 0.000 1.237 66 L HN 0.579 nan 8.230 nan 0.000 0.442 67 F N 0.636 120.641 119.950 0.092 0.000 2.799 67 F HA 0.623 5.154 4.527 0.006 0.000 0.316 67 F C -1.270 174.587 175.800 0.095 0.000 1.155 67 F CA -1.226 56.825 58.000 0.085 0.000 0.916 67 F CB 1.489 40.522 39.000 0.053 0.000 1.294 67 F HN 0.369 nan 8.300 nan 0.000 0.447 68 R N 2.789 123.241 120.500 -0.080 0.000 2.531 68 R HA 0.624 4.967 4.340 0.006 0.000 0.293 68 R C -3.256 173.053 176.300 0.014 0.000 1.124 68 R CA -1.406 54.611 56.100 -0.139 0.000 0.945 68 R CB 2.148 32.425 30.300 -0.039 0.000 1.195 68 R HN 0.531 nan 8.270 nan 0.000 0.433 69 P HA 0.248 nan 4.420 nan 0.000 0.282 69 P C -0.925 176.392 177.300 0.027 0.000 1.287 69 P CA -0.654 62.483 63.100 0.063 0.000 0.792 69 P CB 0.561 32.313 31.700 0.086 0.000 1.163 70 K N -0.535 119.884 120.400 0.032 0.000 2.276 70 K HA 0.276 4.600 4.320 0.006 0.000 0.259 70 K C 1.193 177.800 176.600 0.012 0.000 1.001 70 K CA 0.435 56.735 56.287 0.021 0.000 0.927 70 K CB -0.954 31.559 32.500 0.022 0.000 0.969 70 K HN 0.882 nan 8.250 nan 0.000 0.490 71 G N 1.189 109.992 108.800 0.006 0.000 2.305 71 G HA2 -0.239 3.724 3.960 0.006 0.000 0.287 71 G HA3 -0.239 3.724 3.960 0.006 0.000 0.287 71 G C -0.380 174.516 174.900 -0.006 0.000 1.036 71 G CA 0.245 45.345 45.100 0.000 0.000 0.887 71 G HN 0.457 nan 8.290 nan 0.000 0.505 72 E N -0.409 119.784 120.200 -0.012 0.000 2.210 72 E HA 0.477 4.831 4.350 0.006 0.000 0.266 72 E C 1.344 177.929 176.600 -0.025 0.000 0.883 72 E CA 0.084 56.469 56.400 -0.024 0.000 0.761 72 E CB 1.473 31.148 29.700 -0.042 0.000 1.156 72 E HN 0.297 nan 8.360 nan 0.000 0.412 73 S N 3.115 118.799 115.700 -0.027 0.000 2.371 73 S HA -0.072 4.402 4.470 0.006 0.000 0.224 73 S C 0.799 175.385 174.600 -0.024 0.000 1.029 73 S CA 0.819 59.004 58.200 -0.026 0.000 0.978 73 S CB -0.011 63.172 63.200 -0.028 0.000 0.833 73 S HN 0.514 nan 8.310 nan 0.000 0.466 74 K N -0.135 120.251 120.400 -0.023 0.000 2.499 74 K HA 0.510 4.833 4.320 0.006 0.000 0.277 74 K C -2.043 174.557 176.600 0.001 0.000 1.025 74 K CA -0.989 55.298 56.287 0.000 0.000 0.900 74 K CB 0.373 32.877 32.500 0.006 0.000 1.494 74 K HN -0.202 nan 8.250 nan 0.000 0.442 75 D N 0.758 121.197 120.400 0.066 0.000 2.399 75 D HA 0.239 4.883 4.640 0.006 0.000 0.241 75 D C -0.291 176.075 176.300 0.110 0.000 1.133 75 D CA 0.109 54.144 54.000 0.058 0.000 0.890 75 D CB 0.527 41.420 40.800 0.154 0.000 1.201 75 D HN 0.313 nan 8.370 nan 0.000 0.432 76 L N 1.239 122.375 121.223 -0.144 0.000 2.322 76 L HA 0.441 4.784 4.340 0.006 0.000 0.269 76 L C -0.680 176.208 176.870 0.030 0.000 1.012 76 L CA -1.207 53.595 54.840 -0.063 0.000 0.815 76 L CB 1.509 43.331 42.059 -0.394 0.000 1.295 76 L HN 0.127 nan 8.230 nan 0.000 0.438 77 L N 1.867 123.218 121.223 0.213 0.000 2.305 77 L HA 0.447 4.790 4.340 0.006 0.000 0.284 77 L C -0.955 176.098 176.870 0.303 0.000 1.013 77 L CA -0.064 54.830 54.840 0.091 0.000 0.819 77 L CB 1.070 42.936 42.059 -0.323 0.000 1.227 77 L HN 0.301 nan 8.230 nan 0.000 0.417 78 F N 6.617 126.714 119.950 0.245 0.000 2.410 78 F HA 0.666 5.197 4.527 0.006 0.000 0.349 78 F C -0.713 175.089 175.800 0.004 0.000 1.117 78 F CA -0.724 57.346 58.000 0.117 0.000 1.104 78 F CB 0.627 39.604 39.000 -0.040 0.000 1.122 78 F HN 0.328 nan 8.300 nan 0.000 0.483 79 I N 7.740 127.761 120.570 -0.916 0.000 2.499 79 I HA 0.293 4.467 4.170 0.006 0.000 0.288 79 I C -1.633 173.930 176.117 -0.922 0.000 1.048 79 I CA -1.074 59.761 61.300 -0.775 0.000 1.062 79 I CB 2.048 39.822 38.000 -0.378 0.000 1.238 79 I HN 0.472 nan 8.210 nan 0.000 0.426 80 L N 6.196 126.991 121.223 -0.713 0.000 2.325 80 L HA 0.528 4.872 4.340 0.006 0.000 0.281 80 L C 0.047 176.763 176.870 -0.257 0.000 1.004 80 L CA 0.250 54.844 54.840 -0.410 0.000 0.823 80 L CB 1.743 43.665 42.059 -0.229 0.000 1.236 80 L HN 0.510 nan 8.230 nan 0.000 0.415 81 T N 3.130 117.559 114.554 -0.209 0.000 2.788 81 T HA 0.384 4.738 4.350 0.006 0.000 0.287 81 T C 1.203 175.755 174.700 -0.247 0.000 1.007 81 T CA 0.388 62.370 62.100 -0.196 0.000 1.005 81 T CB 1.346 70.127 68.868 -0.146 0.000 1.012 81 T HN 0.782 nan 8.240 nan 0.000 0.530 82 A N 0.915 123.592 122.820 -0.238 0.000 2.208 82 A HA 0.128 4.452 4.320 0.006 0.000 0.209 82 A C 1.524 178.822 177.584 -0.478 0.000 1.161 82 A CA 0.867 52.702 52.037 -0.336 0.000 0.782 82 A CB -0.143 18.752 19.000 -0.175 0.000 0.816 82 A HN 0.720 nan 8.150 nan 0.000 0.477 83 K N -1.337 118.896 120.400 -0.278 0.000 2.498 83 K HA 0.322 4.646 4.320 0.006 0.000 0.207 83 K C -0.981 175.720 176.600 0.168 0.000 1.033 83 K CA -0.364 55.852 56.287 -0.118 0.000 1.138 83 K CB 0.025 32.502 32.500 -0.039 0.000 0.860 83 K HN 0.415 nan 8.250 nan 0.000 0.490 84 Y N -1.907 118.437 120.300 0.073 0.000 4.569 84 Y HA -0.274 4.280 4.550 0.006 0.000 0.237 84 Y C -0.723 175.202 175.900 0.042 0.000 1.090 84 Y CA -0.190 57.943 58.100 0.055 0.000 2.052 84 Y CB -2.725 35.786 38.460 0.084 0.000 1.621 84 Y HN 0.215 nan 8.280 nan 0.000 0.682 85 N N 1.489 120.250 118.700 0.101 0.000 2.400 85 N HA 0.475 5.218 4.740 0.006 0.000 0.267 85 N C 0.223 175.727 175.510 -0.012 0.000 1.208 85 N CA 0.477 53.547 53.050 0.034 0.000 0.951 85 N CB 0.678 39.171 38.487 0.010 0.000 1.227 85 N HN 0.455 nan 8.380 nan 0.000 0.488 86 A N 1.689 124.531 122.820 0.036 0.000 2.304 86 A HA 0.698 5.021 4.320 0.006 0.000 0.271 86 A C 0.384 177.990 177.584 0.037 0.000 1.091 86 A CA -0.506 51.554 52.037 0.039 0.000 0.812 86 A CB 0.161 19.281 19.000 0.200 0.000 1.056 86 A HN 0.903 nan 8.150 nan 0.000 0.489 87 C N -0.419 118.879 119.300 -0.004 0.000 3.231 87 C HA 0.711 5.175 4.460 0.006 0.000 0.343 87 C C -1.345 173.714 174.990 0.114 0.000 1.349 87 C CA -0.868 58.200 59.018 0.082 0.000 1.209 87 C CB -0.131 27.626 27.740 0.029 0.000 1.475 87 C HN 0.809 nan 8.230 nan 0.000 0.460 88 I N 2.284 122.958 120.570 0.174 0.000 2.500 88 I HA 0.502 4.676 4.170 0.006 0.000 0.286 88 I C -0.604 175.622 176.117 0.181 0.000 1.063 88 I CA -0.361 61.085 61.300 0.244 0.000 1.062 88 I CB 1.535 39.729 38.000 0.323 0.000 1.223 88 I HN 0.605 nan 8.210 nan 0.000 0.435 89 L N 5.387 126.721 121.223 0.185 0.000 2.332 89 L HA 0.660 5.004 4.340 0.006 0.000 0.269 89 L C -0.179 176.876 176.870 0.309 0.000 1.016 89 L CA -0.661 54.297 54.840 0.197 0.000 0.809 89 L CB 1.854 44.019 42.059 0.176 0.000 1.280 89 L HN 0.548 nan 8.230 nan 0.000 0.447 90 E N 0.217 120.556 120.200 0.232 0.000 2.314 90 E HA 0.233 4.587 4.350 0.006 0.000 0.272 90 E C -1.955 174.606 176.600 -0.066 0.000 0.884 90 E CA -0.746 55.713 56.400 0.098 0.000 0.753 90 E CB 2.501 32.211 29.700 0.016 0.000 1.213 90 E HN 0.426 nan 8.360 nan 0.000 0.432 91 Y N 3.090 123.034 120.300 -0.593 0.000 2.393 91 Y HA 0.292 4.846 4.550 0.006 0.000 0.338 91 Y C -0.620 175.097 175.900 -0.304 0.000 1.029 91 Y CA -0.117 57.640 58.100 -0.572 0.000 1.239 91 Y CB 0.700 38.597 38.460 -0.939 0.000 1.170 91 Y HN 0.326 nan 8.280 nan 0.000 0.515 92 K N 5.357 125.315 120.400 -0.737 0.000 2.621 92 K HA 0.227 4.551 4.320 0.006 0.000 0.233 92 K C -1.357 174.888 176.600 -0.592 0.000 0.972 92 K CA -0.425 55.554 56.287 -0.512 0.000 0.988 92 K CB 0.655 32.987 32.500 -0.280 0.000 1.187 92 K HN 0.718 nan 8.250 nan 0.000 0.471 93 Q N 2.537 121.995 119.800 -0.570 0.000 2.430 93 Q HA 0.265 4.609 4.340 0.006 0.000 0.245 93 Q C -0.873 174.997 176.000 -0.217 0.000 1.021 93 Q CA -0.307 55.262 55.803 -0.391 0.000 0.867 93 Q CB 0.919 29.464 28.738 -0.322 0.000 1.210 93 Q HN 0.529 nan 8.270 nan 0.000 0.487 94 S N 3.603 119.199 115.700 -0.174 0.000 4.120 94 S HA 0.223 4.696 4.470 0.006 0.000 0.215 94 S C 0.995 175.541 174.600 -0.091 0.000 1.347 94 S CA 0.290 58.419 58.200 -0.117 0.000 0.889 94 S CB -0.012 63.128 63.200 -0.101 0.000 1.585 94 S HN 1.016 nan 8.310 nan 0.000 0.447 95 G N 3.232 111.982 108.800 -0.084 0.000 5.359 95 G HA2 -0.404 3.560 3.960 0.006 0.000 0.333 95 G HA3 -0.404 3.560 3.960 0.006 0.000 0.333 95 G C 1.054 175.921 174.900 -0.055 0.000 1.365 95 G CA 0.756 45.819 45.100 -0.061 0.000 1.008 95 G HN 0.626 nan 8.290 nan 0.000 0.816 96 E N 0.523 120.692 120.200 -0.051 0.000 2.332 96 E HA 0.301 4.654 4.350 0.006 0.000 0.202 96 E C 1.187 177.760 176.600 -0.045 0.000 0.877 96 E CA 0.925 57.302 56.400 -0.038 0.000 0.979 96 E CB -0.431 29.256 29.700 -0.023 0.000 0.969 96 E HN 0.446 nan 8.360 nan 0.000 0.495 97 S N 2.611 118.277 115.700 -0.058 0.000 2.533 97 S HA 0.275 4.749 4.470 0.006 0.000 0.282 97 S C 0.501 175.037 174.600 -0.106 0.000 1.304 97 S CA -0.428 57.730 58.200 -0.069 0.000 1.063 97 S CB 0.187 63.344 63.200 -0.071 0.000 0.881 97 S HN 0.334 nan 8.310 nan 0.000 0.493 98 I N 1.170 121.680 120.570 -0.100 0.000 2.562 98 I HA 0.729 4.903 4.170 0.006 0.000 0.301 98 I C -0.376 175.652 176.117 -0.148 0.000 1.003 98 I CA -1.208 59.997 61.300 -0.157 0.000 1.127 98 I CB 1.397 39.364 38.000 -0.055 0.000 1.304 98 I HN 0.317 nan 8.210 nan 0.000 0.446 99 D N 4.752 125.012 120.400 -0.233 0.000 2.837 99 D HA 0.494 5.137 4.640 0.006 0.000 0.220 99 D C -0.932 175.275 176.300 -0.154 0.000 1.236 99 D CA -0.080 53.826 54.000 -0.157 0.000 0.838 99 D CB 2.957 43.669 40.800 -0.147 0.000 1.647 99 D HN 0.458 nan 8.370 nan 0.000 0.486 100 I N 2.188 122.732 120.570 -0.044 0.000 2.321 100 I HA 0.363 4.537 4.170 0.006 0.000 0.291 100 I C 0.075 176.184 176.117 -0.014 0.000 0.998 100 I CA -0.407 60.907 61.300 0.023 0.000 1.227 100 I CB 1.327 39.385 38.000 0.097 0.000 1.368 100 I HN 0.186 nan 8.210 nan 0.000 0.466 101 I N 5.051 125.614 120.570 -0.012 0.000 2.525 101 I HA 0.304 4.477 4.170 0.006 0.000 0.301 101 I C -0.085 176.039 176.117 0.012 0.000 0.992 101 I CA -0.173 61.114 61.300 -0.021 0.000 1.162 101 I CB 1.737 39.711 38.000 -0.042 0.000 1.332 101 I HN 0.485 nan 8.210 nan 0.000 0.458 102 T N 6.218 120.768 114.554 -0.007 0.000 2.738 102 T HA 0.311 4.665 4.350 0.006 0.000 0.298 102 T C 1.110 175.842 174.700 0.054 0.000 0.962 102 T CA -0.602 61.505 62.100 0.012 0.000 0.972 102 T CB 0.862 69.693 68.868 -0.062 0.000 0.928 102 T HN 0.464 nan 8.240 nan 0.000 0.474 103 R N 1.451 122.005 120.500 0.090 0.000 2.161 103 R HA 0.366 4.710 4.340 0.006 0.000 0.213 103 R C 0.759 177.136 176.300 0.129 0.000 1.055 103 R CA 0.276 56.434 56.100 0.097 0.000 0.996 103 R CB 0.101 30.460 30.300 0.099 0.000 0.901 103 R HN 0.736 nan 8.270 nan 0.000 0.456 104 A N 0.509 123.433 122.820 0.173 0.000 2.586 104 A HA 0.583 4.907 4.320 0.006 0.000 0.290 104 A C -1.483 176.271 177.584 0.282 0.000 1.086 104 A CA -0.764 51.390 52.037 0.195 0.000 0.665 104 A CB 1.422 20.505 19.000 0.138 0.000 1.279 104 A HN 0.438 nan 8.150 nan 0.000 0.423 105 H N -0.994 118.101 119.070 0.042 0.000 3.057 105 H HA 0.634 5.193 4.556 0.006 0.000 0.308 105 H C -0.752 174.583 175.328 0.012 0.000 1.276 105 H CA -0.313 55.750 56.048 0.025 0.000 1.325 105 H CB 0.764 30.526 29.762 -0.001 0.000 1.963 105 H HN 2.125 nan 8.280 nan 0.000 0.524 106 G N 1.312 110.091 108.800 -0.036 0.000 2.579 106 G HA2 0.143 4.107 3.960 0.006 0.000 0.292 106 G HA3 0.143 4.107 3.960 0.006 0.000 0.292 106 G C -1.703 173.187 174.900 -0.016 0.000 1.484 106 G CA -1.006 44.035 45.100 -0.100 0.000 0.813 106 G HN 0.666 nan 8.290 nan 0.000 0.515 107 N N 0.492 119.165 118.700 -0.044 0.000 2.430 107 N HA 0.199 4.943 4.740 0.006 0.000 0.265 107 N C 1.185 176.713 175.510 0.030 0.000 1.100 107 N CA 0.030 53.073 53.050 -0.013 0.000 0.961 107 N CB 1.746 40.174 38.487 -0.098 0.000 1.075 107 N HN 0.711 nan 8.380 nan 0.000 0.478 108 V N 1.391 121.357 119.914 0.088 0.000 3.444 108 V HA 0.124 4.247 4.120 0.006 0.000 0.308 108 V C 0.840 176.958 176.094 0.041 0.000 1.371 108 V CA -0.332 62.007 62.300 0.066 0.000 1.141 108 V CB -0.778 31.089 31.823 0.074 0.000 1.037 108 V HN 0.644 nan 8.190 nan 0.000 0.433 109 Q N 0.716 120.536 119.800 0.034 0.000 2.535 109 Q HA 0.450 4.794 4.340 0.006 0.000 0.228 109 Q C -1.100 174.852 176.000 -0.080 0.000 1.062 109 Q CA -0.096 55.602 55.803 -0.176 0.000 0.967 109 Q CB 0.367 29.036 28.738 -0.116 0.000 1.273 109 Q HN 0.466 nan 8.270 nan 0.000 0.554 110 D N -0.799 119.525 120.400 -0.126 0.000 2.527 110 D HA 0.237 4.881 4.640 0.006 0.000 0.233 110 D C 0.009 176.192 176.300 -0.195 0.000 1.063 110 D CA -0.802 53.098 54.000 -0.166 0.000 0.880 110 D CB 1.575 42.221 40.800 -0.258 0.000 1.457 110 D HN 0.547 nan 8.370 nan 0.000 0.475 111 R N 0.547 120.968 120.500 -0.132 0.000 2.096 111 R HA -0.004 4.340 4.340 0.006 0.000 0.235 111 R C 0.584 176.788 176.300 -0.159 0.000 1.127 111 R CA 1.265 57.305 56.100 -0.101 0.000 0.968 111 R CB -0.220 30.043 30.300 -0.061 0.000 0.861 111 R HN 0.422 nan 8.270 nan 0.000 0.440 112 I N -0.950 119.480 120.570 -0.235 0.000 3.503 112 I HA 0.315 4.489 4.170 0.006 0.000 0.240 112 I C 0.620 176.421 176.117 -0.527 0.000 1.315 112 I CA 0.267 61.402 61.300 -0.274 0.000 0.759 112 I CB -0.243 37.623 38.000 -0.223 0.000 1.733 112 I HN 0.317 nan 8.210 nan 0.000 0.854 113 G N 1.253 109.755 108.800 -0.497 0.000 3.391 113 G HA2 -0.198 3.765 3.960 0.006 0.000 0.675 113 G HA3 -0.198 3.765 3.960 0.006 0.000 0.675 113 G C -0.276 174.500 174.900 -0.206 0.000 0.899 113 G CA -0.630 44.071 45.100 -0.666 0.000 0.755 113 G HN 0.713 nan 8.290 nan 0.000 0.475 114 R N 3.960 124.497 120.500 0.061 0.000 2.254 114 R HA 0.498 4.841 4.340 0.006 0.000 0.318 114 R C -2.130 174.348 176.300 0.296 0.000 1.031 114 R CA -1.940 54.255 56.100 0.159 0.000 0.905 114 R CB 0.909 31.263 30.300 0.090 0.000 1.050 114 R HN 0.326 nan 8.270 nan 0.000 0.456 115 P HA -0.029 nan 4.420 nan 0.000 0.268 115 P C -0.335 177.032 177.300 0.111 0.000 1.204 115 P CA -0.002 63.222 63.100 0.206 0.000 0.768 115 P CB 1.173 32.983 31.700 0.184 0.000 0.842 116 S N 1.716 117.447 115.700 0.051 0.000 2.477 116 S HA 0.321 4.795 4.470 0.006 0.000 0.261 116 S C 0.073 174.675 174.600 0.003 0.000 1.197 116 S CA -0.212 58.009 58.200 0.034 0.000 1.015 116 S CB 0.060 63.267 63.200 0.011 0.000 1.077 116 S HN 0.354 nan 8.310 nan 0.000 0.505 117 E N -0.171 119.995 120.200 -0.058 0.000 2.133 117 E HA 0.473 4.827 4.350 0.006 0.000 0.274 117 E C -0.626 175.920 176.600 -0.090 0.000 0.930 117 E CA -0.038 56.312 56.400 -0.084 0.000 0.770 117 E CB 0.321 29.913 29.700 -0.179 0.000 1.104 117 E HN 0.782 nan 8.360 nan 0.000 0.403 118 T N 2.216 116.751 114.554 -0.032 0.000 5.332 118 T HA -0.094 4.260 4.350 0.006 0.000 0.267 118 T C 0.732 175.426 174.700 -0.010 0.000 2.214 118 T CA 0.597 62.689 62.100 -0.014 0.000 3.791 118 T CB -1.978 66.881 68.868 -0.015 0.000 0.361 118 T HN 1.234 nan 8.240 nan 0.000 1.115 119 G N 1.051 109.845 108.800 -0.010 0.000 2.591 119 G HA2 -0.242 3.722 3.960 0.006 0.000 0.278 119 G HA3 -0.242 3.722 3.960 0.006 0.000 0.278 119 G C 0.066 174.952 174.900 -0.024 0.000 1.293 119 G CA -0.037 45.057 45.100 -0.009 0.000 0.930 119 G HN 0.931 nan 8.290 nan 0.000 0.562 120 I N 0.616 121.166 120.570 -0.034 0.000 2.692 120 I HA 0.325 4.499 4.170 0.006 0.000 0.284 120 I C 0.614 176.718 176.117 -0.021 0.000 1.159 120 I CA 0.594 61.870 61.300 -0.041 0.000 1.423 120 I CB 0.367 38.330 38.000 -0.062 0.000 1.380 120 I HN 0.374 nan 8.210 nan 0.000 0.580 121 I N 4.933 125.495 120.570 -0.013 0.000 2.512 121 I HA 0.441 4.615 4.170 0.006 0.000 0.287 121 I C 0.145 176.271 176.117 0.016 0.000 1.069 121 I CA -0.434 60.873 61.300 0.012 0.000 1.056 121 I CB 1.873 39.888 38.000 0.026 0.000 1.229 121 I HN 0.577 nan 8.210 nan 0.000 0.429 122 G N 6.862 115.691 108.800 0.048 0.000 2.388 122 G HA2 0.858 4.822 3.960 0.006 0.000 0.330 122 G HA3 0.858 4.822 3.960 0.006 0.000 0.330 122 G C -0.750 174.192 174.900 0.069 0.000 1.142 122 G CA -0.554 44.586 45.100 0.065 0.000 0.908 122 G HN 0.692 nan 8.290 nan 0.000 0.473 123 I N -1.418 119.184 120.570 0.054 0.000 3.095 123 I HA 0.705 4.878 4.170 0.006 0.000 0.310 123 I C -1.259 174.946 176.117 0.147 0.000 1.196 123 I CA -1.511 59.868 61.300 0.132 0.000 0.985 123 I CB 2.670 40.770 38.000 0.166 0.000 1.250 123 I HN 0.262 nan 8.210 nan 0.000 0.446 124 I N 2.498 123.157 120.570 0.149 0.000 2.533 124 I HA 0.240 4.414 4.170 0.006 0.000 0.290 124 I C -0.659 175.331 176.117 -0.211 0.000 1.056 124 I CA -0.517 60.736 61.300 -0.079 0.000 1.057 124 I CB 1.985 39.855 38.000 -0.216 0.000 1.240 124 I HN 0.718 nan 8.210 nan 0.000 0.423 125 D N 8.827 128.743 120.400 -0.806 0.000 2.458 125 D HA 0.037 4.681 4.640 0.006 0.000 0.243 125 D C -1.635 174.437 176.300 -0.380 0.000 1.146 125 D CA -1.056 52.375 54.000 -0.948 0.000 0.877 125 D CB 1.864 41.997 40.800 -1.112 0.000 1.176 125 D HN 0.255 nan 8.370 nan 0.000 0.461 126 P HA -0.192 nan 4.420 nan 0.000 0.216 126 P C 0.679 177.959 177.300 -0.033 0.000 1.153 126 P CA 1.359 64.383 63.100 -0.126 0.000 0.858 126 P CB 0.151 31.728 31.700 -0.204 0.000 0.789 127 E N -1.850 118.308 120.200 -0.070 0.000 2.516 127 E HA -0.013 4.340 4.350 0.006 0.000 0.199 127 E C 0.447 177.037 176.600 -0.016 0.000 1.069 127 E CA 0.123 56.511 56.400 -0.020 0.000 0.876 127 E CB -0.629 29.056 29.700 -0.024 0.000 0.843 127 E HN 0.125 nan 8.360 nan 0.000 0.530 128 C N 0.498 119.767 119.300 -0.052 0.000 4.456 128 C HA -0.166 4.297 4.460 0.006 0.000 0.288 128 C C 1.712 176.683 174.990 -0.031 0.000 1.374 128 C CA 0.074 59.092 59.018 -0.001 0.000 1.956 128 C CB -1.710 26.123 27.740 0.156 0.000 1.255 128 C HN 0.487 nan 8.230 nan 0.000 0.788 129 R N -0.436 120.008 120.500 -0.094 0.000 2.189 129 R HA 0.064 4.407 4.340 0.006 0.000 0.218 129 R C 0.681 176.926 176.300 -0.091 0.000 1.074 129 R CA 1.754 57.812 56.100 -0.069 0.000 0.991 129 R CB -0.032 30.228 30.300 -0.067 0.000 0.883 129 R HN 0.856 nan 8.270 nan 0.000 0.457 130 M N -2.612 116.881 119.600 -0.177 0.000 3.069 130 M HA 0.429 4.912 4.480 0.006 0.000 0.274 130 M C -1.532 174.598 176.300 -0.284 0.000 1.146 130 M CA -0.689 54.498 55.300 -0.188 0.000 0.807 130 M CB 1.744 34.283 32.600 -0.100 0.000 1.621 130 M HN -0.268 nan 8.290 nan 0.000 0.521 131 I N 0.805 121.214 120.570 -0.269 0.000 2.466 131 I HA 0.753 4.926 4.170 0.006 0.000 0.289 131 I C -0.226 175.771 176.117 -0.200 0.000 1.026 131 I CA -0.748 60.353 61.300 -0.331 0.000 1.078 131 I CB 2.201 39.806 38.000 -0.658 0.000 1.249 131 I HN 0.921 nan 8.210 nan 0.000 0.429 132 G N 6.133 114.933 108.800 0.000 0.000 2.388 132 G HA2 0.773 4.736 3.960 0.006 0.000 0.330 132 G HA3 0.773 4.736 3.960 0.006 0.000 0.330 132 G C -1.405 173.287 174.900 -0.348 0.000 1.142 132 G CA -0.304 44.729 45.100 -0.112 0.000 0.908 132 G HN 0.300 nan 8.290 nan 0.000 0.473 133 L N 0.812 121.518 121.223 -0.861 0.000 2.434 133 L HA 0.640 4.984 4.340 0.006 0.000 0.260 133 L C -0.481 176.107 176.870 -0.470 0.000 0.983 133 L CA -0.837 53.716 54.840 -0.478 0.000 0.820 133 L CB 2.545 44.394 42.059 -0.351 0.000 1.361 133 L HN 0.452 nan 8.230 nan 0.000 0.410 134 R N 3.388 123.795 120.500 -0.154 0.000 2.451 134 R HA 0.531 4.875 4.340 0.006 0.000 0.307 134 R C -0.888 175.344 176.300 -0.113 0.000 0.965 134 R CA -0.376 55.688 56.100 -0.060 0.000 0.865 134 R CB 1.200 31.523 30.300 0.039 0.000 1.174 134 R HN 0.636 nan 8.270 nan 0.000 0.455 135 L N 3.306 124.403 121.223 -0.210 0.000 2.730 135 L HA 0.321 4.665 4.340 0.006 0.000 0.236 135 L C -0.177 176.314 176.870 -0.632 0.000 1.061 135 L CA 0.437 55.005 54.840 -0.453 0.000 0.898 135 L CB -0.199 41.418 42.059 -0.737 0.000 1.270 135 L HN 0.446 nan 8.230 nan 0.000 0.500 136 Y N -0.509 119.802 120.300 0.019 0.000 2.576 136 Y HA 0.413 4.967 4.550 0.006 0.000 0.346 136 Y C -0.004 175.909 175.900 0.022 0.000 1.018 136 Y CA -1.362 56.747 58.100 0.016 0.000 1.050 136 Y CB 1.078 39.530 38.460 -0.014 0.000 1.280 136 Y HN -0.137 nan 8.280 nan 0.000 0.474 137 D N 0.858 121.380 120.400 0.204 0.000 2.383 137 D HA 0.310 4.954 4.640 0.006 0.000 0.252 137 D C 1.016 177.387 176.300 0.118 0.000 1.166 137 D CA 1.806 55.884 54.000 0.129 0.000 0.879 137 D CB 1.258 42.128 40.800 0.116 0.000 1.164 137 D HN 0.906 nan 8.370 nan 0.000 0.462 138 G N 1.992 110.849 108.800 0.096 0.000 2.268 138 G HA2 -0.239 3.725 3.960 0.006 0.000 0.240 138 G HA3 -0.239 3.725 3.960 0.006 0.000 0.240 138 G C 0.278 175.233 174.900 0.092 0.000 1.010 138 G CA 0.155 45.303 45.100 0.079 0.000 0.618 138 G HN 0.469 nan 8.290 nan 0.000 0.516 139 L N -1.064 120.232 121.223 0.122 0.000 2.313 139 L HA 0.895 5.238 4.340 0.006 0.000 0.268 139 L C -0.424 176.560 176.870 0.190 0.000 1.010 139 L CA -1.353 53.565 54.840 0.130 0.000 0.814 139 L CB 1.798 43.919 42.059 0.102 0.000 1.304 139 L HN 0.099 nan 8.230 nan 0.000 0.441 140 F N 1.715 121.648 119.950 -0.029 0.000 2.902 140 F HA 0.421 4.951 4.527 0.006 0.000 0.368 140 F C -0.149 175.565 175.800 -0.144 0.000 1.202 140 F CA -0.912 57.050 58.000 -0.063 0.000 1.109 140 F CB 0.974 39.966 39.000 -0.013 0.000 1.418 140 F HN 0.339 nan 8.300 nan 0.000 0.527 141 K N 3.537 123.656 120.400 -0.469 0.000 2.436 141 K HA 0.524 4.847 4.320 0.006 0.000 0.275 141 K C -1.479 174.658 176.600 -0.772 0.000 0.999 141 K CA 0.140 56.131 56.287 -0.492 0.000 0.980 141 K CB 0.799 33.111 32.500 -0.313 0.000 0.919 141 K HN 0.420 nan 8.250 nan 0.000 0.484 142 V N 6.144 125.600 119.914 -0.763 0.000 2.569 142 V HA 0.370 4.494 4.120 0.006 0.000 0.301 142 V C -0.480 175.324 176.094 -0.483 0.000 1.044 142 V CA -0.710 61.183 62.300 -0.679 0.000 0.874 142 V CB 1.601 32.976 31.823 -0.747 0.000 1.002 142 V HN 0.655 nan 8.190 nan 0.000 0.424 143 I N 7.090 127.480 120.570 -0.301 0.000 2.307 143 I HA 0.334 4.508 4.170 0.006 0.000 0.287 143 I C -2.401 173.644 176.117 -0.120 0.000 1.054 143 I CA -1.831 59.362 61.300 -0.178 0.000 1.218 143 I CB 1.722 39.608 38.000 -0.189 0.000 1.398 143 I HN 0.393 nan 8.210 nan 0.000 0.475 144 P HA 0.200 nan 4.420 nan 0.000 0.271 144 P C -0.808 176.489 177.300 -0.006 0.000 1.216 144 P CA -0.130 62.986 63.100 0.025 0.000 0.776 144 P CB 0.673 32.442 31.700 0.115 0.000 0.881 145 L N 3.744 124.958 121.223 -0.015 0.000 2.296 145 L HA 0.496 4.839 4.340 0.006 0.000 0.286 145 L C 0.270 177.156 176.870 0.026 0.000 1.023 145 L CA -0.005 54.837 54.840 0.004 0.000 0.812 145 L CB 1.000 43.060 42.059 0.001 0.000 1.223 145 L HN 0.296 nan 8.230 nan 0.000 0.421 146 D N 1.329 121.750 120.400 0.036 0.000 2.596 146 D HA 0.222 4.865 4.640 0.006 0.000 0.262 146 D C 0.344 176.668 176.300 0.040 0.000 1.210 146 D CA -0.745 53.275 54.000 0.033 0.000 0.873 146 D CB 2.012 42.826 40.800 0.024 0.000 1.408 146 D HN 0.260 nan 8.370 nan 0.000 0.441 147 R N 0.524 121.043 120.500 0.033 0.000 2.105 147 R HA -0.116 4.227 4.340 0.006 0.000 0.239 147 R C 0.552 176.872 176.300 0.034 0.000 1.135 147 R CA 1.889 58.009 56.100 0.033 0.000 0.967 147 R CB -0.244 30.070 30.300 0.023 0.000 0.861 147 R HN 0.593 nan 8.270 nan 0.000 0.442 148 D N -1.097 119.320 120.400 0.027 0.000 2.306 148 D HA -0.069 4.574 4.640 0.006 0.000 0.282 148 D C 0.568 176.885 176.300 0.027 0.000 1.195 148 D CA -0.452 53.562 54.000 0.024 0.000 0.955 148 D CB -0.770 40.038 40.800 0.014 0.000 0.921 148 D HN -0.136 nan 8.370 nan 0.000 0.269 149 N N -0.289 118.422 118.700 0.017 0.000 2.677 149 N HA -0.233 4.511 4.740 0.006 0.000 0.249 149 N C -0.011 175.505 175.510 0.011 0.000 1.073 149 N CA 0.359 53.417 53.050 0.013 0.000 0.737 149 N CB -0.599 37.899 38.487 0.019 0.000 0.999 149 N HN 0.385 nan 8.380 nan 0.000 0.543 150 K N -0.075 120.330 120.400 0.008 0.000 2.589 150 K HA -0.090 4.233 4.320 0.006 0.000 0.195 150 K C 0.446 177.012 176.600 -0.056 0.000 1.040 150 K CA 0.891 57.184 56.287 0.011 0.000 0.950 150 K CB 0.088 32.601 32.500 0.022 0.000 0.781 150 K HN 0.470 nan 8.250 nan 0.000 0.486 151 E N 0.293 120.445 120.200 -0.080 0.000 2.734 151 E HA 0.135 4.489 4.350 0.006 0.000 0.211 151 E C -0.758 175.790 176.600 -0.086 0.000 0.991 151 E CA -0.159 56.148 56.400 -0.155 0.000 1.065 151 E CB 0.303 29.918 29.700 -0.143 0.000 1.047 151 E HN 0.104 nan 8.360 nan 0.000 0.470 152 L N 1.884 123.087 121.223 -0.033 0.000 3.965 152 L HA -0.277 4.067 4.340 0.006 0.000 0.476 152 L C -0.262 176.601 176.870 -0.011 0.000 1.201 152 L CA 0.742 55.580 54.840 -0.004 0.000 0.710 152 L CB -1.094 40.986 42.059 0.034 0.000 1.509 152 L HN 0.102 nan 8.230 nan 0.000 0.815 153 K N 1.258 121.654 120.400 -0.005 0.000 2.322 153 K HA 0.694 5.018 4.320 0.006 0.000 0.283 153 K C 0.411 177.031 176.600 0.033 0.000 1.042 153 K CA 0.463 56.755 56.287 0.010 0.000 0.958 153 K CB 1.538 34.047 32.500 0.015 0.000 0.984 153 K HN 0.385 nan 8.250 nan 0.000 0.473 154 A N 2.927 125.766 122.820 0.032 0.000 2.527 154 A HA 0.825 5.148 4.320 0.006 0.000 0.293 154 A C -1.126 176.512 177.584 0.090 0.000 1.117 154 A CA -0.918 51.120 52.037 0.003 0.000 0.723 154 A CB 0.951 19.879 19.000 -0.119 0.000 1.313 154 A HN 0.610 nan 8.150 nan 0.000 0.411 155 F N 0.030 119.940 119.950 -0.066 0.000 2.563 155 F HA 0.643 5.174 4.527 0.006 0.000 0.316 155 F C -0.302 175.454 175.800 -0.073 0.000 1.076 155 F CA -1.201 56.760 58.000 -0.065 0.000 0.921 155 F CB 1.416 40.377 39.000 -0.064 0.000 1.209 155 F HN 0.420 nan 8.300 nan 0.000 0.462 156 N N 2.734 121.431 118.700 -0.004 0.000 2.518 156 N HA 0.460 5.203 4.740 0.006 0.000 0.283 156 N C -0.526 175.003 175.510 0.032 0.000 1.119 156 N CA -0.268 52.743 53.050 -0.064 0.000 0.983 156 N CB 2.099 40.577 38.487 -0.015 0.000 1.139 156 N HN 0.562 nan 8.380 nan 0.000 0.465 157 I N 0.745 121.292 120.570 -0.039 0.000 2.924 157 I HA 0.317 4.491 4.170 0.006 0.000 0.316 157 I C 1.016 177.102 176.117 -0.052 0.000 1.014 157 I CA -0.817 60.417 61.300 -0.110 0.000 1.106 157 I CB 1.261 38.976 38.000 -0.474 0.000 1.311 157 I HN 0.188 nan 8.210 nan 0.000 0.502 158 R N 2.644 123.106 120.500 -0.063 0.000 2.457 158 R HA 0.560 4.903 4.340 0.006 0.000 0.284 158 R C -1.272 175.091 176.300 0.104 0.000 1.024 158 R CA -0.670 55.442 56.100 0.019 0.000 1.025 158 R CB 1.217 31.519 30.300 0.004 0.000 1.063 158 R HN 0.503 nan 8.270 nan 0.000 0.493 159 L N 3.901 125.189 121.223 0.107 0.000 2.345 159 L HA 0.179 4.523 4.340 0.006 0.000 0.274 159 L C 1.206 178.107 176.870 0.051 0.000 0.999 159 L CA -0.378 54.528 54.840 0.110 0.000 0.849 159 L CB 1.518 43.621 42.059 0.074 0.000 1.220 159 L HN 0.692 nan 8.230 nan 0.000 0.422 160 E N 1.818 122.042 120.200 0.040 0.000 2.108 160 E HA -0.216 4.138 4.350 0.006 0.000 0.203 160 E C -0.032 176.562 176.600 -0.010 0.000 1.022 160 E CA 1.519 57.926 56.400 0.013 0.000 0.823 160 E CB 0.167 29.872 29.700 0.009 0.000 0.744 160 E HN 0.582 nan 8.360 nan 0.000 0.456 161 E N 0.703 120.874 120.200 -0.049 0.000 2.104 161 E HA 0.065 4.418 4.350 0.006 0.000 0.278 161 E C 0.747 177.372 176.600 0.042 0.000 1.127 161 E CA 0.006 56.354 56.400 -0.087 0.000 0.897 161 E CB 0.489 30.001 29.700 -0.313 0.000 1.043 161 E HN 0.083 nan 8.360 nan 0.000 0.410 162 L N 2.448 123.729 121.223 0.098 0.000 2.610 162 L HA -0.021 4.323 4.340 0.006 0.000 0.232 162 L C 0.414 177.407 176.870 0.205 0.000 1.149 162 L CA 0.790 55.709 54.840 0.131 0.000 0.872 162 L CB 0.034 42.167 42.059 0.124 0.000 0.992 162 L HN 0.618 nan 8.230 nan 0.000 0.447 163 H N -0.156 118.995 119.070 0.134 0.000 2.699 163 H HA 0.258 4.818 4.556 0.006 0.000 0.256 163 H C -1.408 174.056 175.328 0.227 0.000 1.376 163 H CA -0.211 55.933 56.048 0.160 0.000 1.549 163 H CB 0.789 30.643 29.762 0.153 0.000 1.686 163 H HN -0.249 nan 8.280 nan 0.000 0.550 164 V N 5.493 125.456 119.914 0.080 0.000 2.539 164 V HA 0.133 4.257 4.120 0.006 0.000 0.292 164 V C 1.197 177.312 176.094 0.035 0.000 1.045 164 V CA -0.493 61.912 62.300 0.175 0.000 0.945 164 V CB 1.597 33.510 31.823 0.150 0.000 0.993 164 V HN 0.572 nan 8.190 nan 0.000 0.464 165 I N 1.620 122.259 120.570 0.115 0.000 2.499 165 I HA 0.242 4.415 4.170 0.006 0.000 0.243 165 I C 0.639 176.790 176.117 0.056 0.000 1.085 165 I CA 1.211 62.545 61.300 0.058 0.000 1.422 165 I CB -0.247 37.801 38.000 0.079 0.000 1.165 165 I HN 0.768 nan 8.210 nan 0.000 0.440 166 D N -1.054 119.397 120.400 0.086 0.000 2.615 166 D HA 0.607 5.251 4.640 0.006 0.000 0.267 166 D C -1.423 174.938 176.300 0.101 0.000 1.236 166 D CA -0.253 53.794 54.000 0.078 0.000 0.839 166 D CB 2.514 43.354 40.800 0.066 0.000 1.380 166 D HN -0.177 nan 8.370 nan 0.000 0.433 167 V N 0.754 120.711 119.914 0.072 0.000 3.023 167 V HA 0.599 4.722 4.120 0.006 0.000 0.294 167 V C -0.908 175.192 176.094 0.010 0.000 1.324 167 V CA -0.984 61.339 62.300 0.040 0.000 0.979 167 V CB 2.021 33.836 31.823 -0.013 0.000 1.093 167 V HN 0.519 nan 8.190 nan 0.000 0.434 168 K N 1.750 122.132 120.400 -0.031 0.000 2.509 168 K HA 0.656 4.980 4.320 0.006 0.000 0.266 168 K C -1.383 175.147 176.600 -0.117 0.000 0.987 168 K CA -0.599 55.685 56.287 -0.005 0.000 0.868 168 K CB 2.677 35.229 32.500 0.086 0.000 1.421 168 K HN 0.507 nan 8.250 nan 0.000 0.444 169 F N 1.229 121.175 119.950 -0.006 0.000 2.399 169 F HA 0.266 4.796 4.527 0.006 0.000 0.342 169 F C 1.033 176.786 175.800 -0.077 0.000 1.106 169 F CA -0.492 57.476 58.000 -0.054 0.000 1.196 169 F CB 0.512 39.459 39.000 -0.089 0.000 1.163 169 F HN 0.124 nan 8.300 nan 0.000 0.547 170 L N 2.681 123.992 121.223 0.146 0.000 2.456 170 L HA 0.262 4.605 4.340 0.006 0.000 0.257 170 L C -0.658 176.272 176.870 0.100 0.000 1.162 170 L CA -0.498 54.435 54.840 0.155 0.000 0.808 170 L CB 0.436 42.592 42.059 0.163 0.000 1.136 170 L HN 0.477 nan 8.230 nan 0.000 0.466 171 Y N -0.920 119.499 120.300 0.198 0.000 2.488 171 Y HA 0.479 5.032 4.550 0.006 0.000 0.325 171 Y C 1.093 177.094 175.900 0.168 0.000 1.204 171 Y CA 0.177 58.382 58.100 0.174 0.000 1.229 171 Y CB 1.705 40.275 38.460 0.182 0.000 1.274 171 Y HN 0.690 nan 8.280 nan 0.000 0.493 172 G N 0.007 109.004 108.800 0.328 0.000 2.153 172 G HA2 -0.279 3.684 3.960 0.006 0.000 0.252 172 G HA3 -0.279 3.684 3.960 0.006 0.000 0.252 172 G C -0.458 174.549 174.900 0.178 0.000 0.994 172 G CA -0.099 45.137 45.100 0.226 0.000 0.698 172 G HN 0.634 nan 8.290 nan 0.000 0.521 173 C N 1.415 120.809 119.300 0.158 0.000 2.388 173 C HA 0.500 4.963 4.460 0.006 0.000 0.362 173 C C 1.918 176.962 174.990 0.092 0.000 1.266 173 C CA -0.495 58.597 59.018 0.123 0.000 2.028 173 C CB 1.364 29.170 27.740 0.110 0.000 2.440 173 C HN 0.601 nan 8.230 nan 0.000 0.547 174 Q N 2.561 122.411 119.800 0.083 0.000 1.889 174 Q HA -0.074 4.269 4.340 0.006 0.000 0.211 174 Q C 1.041 177.076 176.000 0.057 0.000 0.988 174 Q CA 1.224 57.067 55.803 0.066 0.000 0.861 174 Q CB -0.862 27.914 28.738 0.063 0.000 0.922 174 Q HN 0.847 nan 8.270 nan 0.000 0.425 175 A N 2.826 125.683 122.820 0.062 0.000 2.409 175 A HA 0.326 4.650 4.320 0.006 0.000 0.267 175 A C -2.122 175.511 177.584 0.081 0.000 1.127 175 A CA -1.353 50.723 52.037 0.066 0.000 0.795 175 A CB -0.276 18.768 19.000 0.073 0.000 1.061 175 A HN 0.051 nan 8.150 nan 0.000 0.502 176 P HA -0.093 nan 4.420 nan 0.000 0.240 176 P C -0.259 177.189 177.300 0.247 0.000 1.079 176 P CA 1.282 64.449 63.100 0.111 0.000 0.839 176 P CB -0.181 31.570 31.700 0.084 0.000 0.750 177 T N 4.723 119.440 114.554 0.272 0.000 2.786 177 T HA 0.537 4.891 4.350 0.006 0.000 0.283 177 T C 0.658 175.427 174.700 0.115 0.000 0.992 177 T CA -0.579 61.612 62.100 0.152 0.000 0.954 177 T CB 0.306 69.183 68.868 0.015 0.000 0.934 177 T HN 0.169 nan 8.240 nan 0.000 0.440 178 I N 0.466 120.965 120.570 -0.118 0.000 2.970 178 I HA 0.844 5.018 4.170 0.006 0.000 0.310 178 I C -0.039 175.921 176.117 -0.262 0.000 1.010 178 I CA -0.715 60.358 61.300 -0.380 0.000 1.228 178 I CB 1.094 38.712 38.000 -0.636 0.000 1.433 178 I HN 0.624 nan 8.210 nan 0.000 0.573 179 C N 5.040 124.226 119.300 -0.191 0.000 2.811 179 C HA 0.829 5.292 4.460 0.006 0.000 0.352 179 C C -0.912 174.102 174.990 0.040 0.000 1.098 179 C CA -0.667 58.278 59.018 -0.121 0.000 1.295 179 C CB 0.574 28.234 27.740 -0.132 0.000 1.758 179 C HN 0.889 nan 8.230 nan 0.000 0.488 180 F N 3.585 123.389 119.950 -0.244 0.000 2.668 180 F HA 0.845 5.376 4.527 0.006 0.000 0.309 180 F C -1.537 174.230 175.800 -0.055 0.000 1.117 180 F CA -1.039 56.873 58.000 -0.146 0.000 0.951 180 F CB 1.188 40.087 39.000 -0.169 0.000 1.323 180 F HN 0.359 nan 8.300 nan 0.000 0.451 181 V N 2.681 122.616 119.914 0.034 0.000 2.459 181 V HA 0.566 4.689 4.120 0.006 0.000 0.295 181 V C -1.122 175.062 176.094 0.151 0.000 1.029 181 V CA -0.722 61.545 62.300 -0.054 0.000 0.874 181 V CB 1.471 33.260 31.823 -0.057 0.000 0.985 181 V HN 0.862 nan 8.190 nan 0.000 0.438 182 Y N 1.779 122.084 120.300 0.008 0.000 2.562 182 Y HA 0.727 5.280 4.550 0.006 0.000 0.345 182 Y C -0.690 175.320 175.900 0.183 0.000 1.045 182 Y CA -1.170 57.024 58.100 0.158 0.000 1.028 182 Y CB 1.721 40.318 38.460 0.227 0.000 1.297 182 Y HN 0.552 nan 8.280 nan 0.000 0.463 183 Q N 2.633 122.639 119.800 0.342 0.000 2.293 183 Q HA 0.457 4.801 4.340 0.006 0.000 0.261 183 Q C -1.840 174.308 176.000 0.247 0.000 0.960 183 Q CA -0.709 55.197 55.803 0.171 0.000 0.882 183 Q CB 1.487 30.282 28.738 0.094 0.000 1.275 183 Q HN 0.928 nan 8.270 nan 0.000 0.445 184 D N 2.966 123.491 120.400 0.209 0.000 2.523 184 D HA 0.498 5.142 4.640 0.006 0.000 0.236 184 D C -2.313 174.050 176.300 0.105 0.000 1.094 184 D CA -1.557 52.546 54.000 0.173 0.000 0.942 184 D CB 1.368 42.308 40.800 0.235 0.000 1.447 184 D HN 0.214 nan 8.370 nan 0.000 0.479 185 P HA -0.391 nan 4.420 nan 0.000 0.257 185 P C 0.793 178.118 177.300 0.043 0.000 0.790 185 P CA 2.164 65.287 63.100 0.038 0.000 1.099 185 P CB -0.174 31.552 31.700 0.044 0.000 0.810 186 Q N -0.901 118.938 119.800 0.065 0.000 1.503 186 Q HA -0.129 4.215 4.340 0.006 0.000 0.571 186 Q C 1.569 177.568 176.000 -0.000 0.000 1.004 186 Q CA 2.318 58.152 55.803 0.052 0.000 0.843 186 Q CB -1.661 27.144 28.738 0.112 0.000 0.932 186 Q HN 0.609 nan 8.270 nan 0.000 0.361 187 G N -1.942 106.827 108.800 -0.051 0.000 3.291 187 G HA2 0.641 4.605 3.960 0.006 0.000 0.173 187 G HA3 0.641 4.605 3.960 0.006 0.000 0.173 187 G C -1.063 173.634 174.900 -0.338 0.000 1.099 187 G CA -0.733 44.251 45.100 -0.194 0.000 0.794 187 G HN 0.133 nan 8.290 nan 0.000 0.651 188 R N -0.544 119.640 120.500 -0.527 0.000 2.664 188 R HA 0.656 4.999 4.340 0.006 0.000 0.286 188 R C -1.286 174.461 176.300 -0.922 0.000 0.967 188 R CA -0.559 55.211 56.100 -0.549 0.000 0.933 188 R CB 1.740 31.869 30.300 -0.285 0.000 1.146 188 R HN 0.650 nan 8.270 nan 0.000 0.468 189 H N -0.861 117.810 119.070 -0.666 0.000 2.928 189 H HA 0.416 4.976 4.556 0.006 0.000 0.371 189 H C -1.381 173.584 175.328 -0.605 0.000 1.186 189 H CA -0.867 54.801 56.048 -0.635 0.000 1.134 189 H CB 2.029 31.361 29.762 -0.716 0.000 1.824 189 H HN 0.218 nan 8.280 nan 0.000 0.554 190 V N 1.575 121.311 119.914 -0.296 0.000 2.409 190 V HA 0.517 4.641 4.120 0.006 0.000 0.291 190 V C -0.716 175.155 176.094 -0.371 0.000 1.020 190 V CA -0.321 61.769 62.300 -0.349 0.000 0.848 190 V CB 0.841 32.451 31.823 -0.356 0.000 0.990 190 V HN 0.749 nan 8.190 nan 0.000 0.430 191 K N 3.793 123.781 120.400 -0.687 0.000 2.350 191 K HA 0.868 5.192 4.320 0.006 0.000 0.241 191 K C -0.785 175.307 176.600 -0.846 0.000 0.994 191 K CA -0.471 55.339 56.287 -0.796 0.000 0.839 191 K CB 2.340 34.254 32.500 -0.978 0.000 1.244 191 K HN 0.835 nan 8.250 nan 0.000 0.443 192 T N -0.968 113.137 114.554 -0.748 0.000 2.893 192 T HA 0.515 4.868 4.350 0.006 0.000 0.293 192 T C -1.056 173.250 174.700 -0.656 0.000 1.027 192 T CA -0.755 60.941 62.100 -0.672 0.000 0.988 192 T CB 0.592 68.978 68.868 -0.805 0.000 1.043 192 T HN 0.445 nan 8.240 nan 0.000 0.461 193 Y N -0.304 119.819 120.300 -0.295 0.000 2.570 193 Y HA 0.577 5.131 4.550 0.006 0.000 0.345 193 Y C 0.682 176.483 175.900 -0.166 0.000 1.014 193 Y CA -1.461 56.456 58.100 -0.306 0.000 1.063 193 Y CB 1.905 39.969 38.460 -0.661 0.000 1.272 193 Y HN 0.631 nan 8.280 nan 0.000 0.477 194 E N 0.419 120.702 120.200 0.140 0.000 2.312 194 E HA 0.529 4.883 4.350 0.006 0.000 0.259 194 E C -1.386 175.376 176.600 0.269 0.000 1.122 194 E CA -0.669 55.823 56.400 0.153 0.000 0.922 194 E CB 1.672 31.443 29.700 0.118 0.000 1.109 194 E HN 0.247 nan 8.360 nan 0.000 0.442 195 V N 1.728 121.794 119.914 0.254 0.000 2.462 195 V HA 0.137 4.261 4.120 0.006 0.000 0.288 195 V C -0.444 175.762 176.094 0.187 0.000 1.020 195 V CA -0.659 61.810 62.300 0.283 0.000 0.857 195 V CB 1.417 33.457 31.823 0.361 0.000 1.013 195 V HN 0.527 nan 8.190 nan 0.000 0.431 196 S N 4.744 120.527 115.700 0.138 0.000 2.499 196 S HA 0.557 5.030 4.470 0.006 0.000 0.279 196 S C 0.930 175.586 174.600 0.092 0.000 1.219 196 S CA -0.684 57.570 58.200 0.090 0.000 1.062 196 S CB 0.941 64.171 63.200 0.051 0.000 0.978 196 S HN 0.655 nan 8.310 nan 0.000 0.489 197 L N 4.001 125.278 121.223 0.090 0.000 2.470 197 L HA 0.356 4.700 4.340 0.006 0.000 0.219 197 L C 2.419 179.245 176.870 -0.074 0.000 1.071 197 L CA -0.132 54.766 54.840 0.097 0.000 0.850 197 L CB -0.675 41.497 42.059 0.188 0.000 1.040 197 L HN 0.658 nan 8.230 nan 0.000 0.475 198 R N 1.988 122.462 120.500 -0.044 0.000 2.133 198 R HA -0.208 4.135 4.340 0.006 0.000 0.245 198 R C 1.867 178.095 176.300 -0.119 0.000 1.137 198 R CA 2.691 58.748 56.100 -0.072 0.000 0.947 198 R CB -0.157 30.121 30.300 -0.036 0.000 0.865 198 R HN 0.636 nan 8.270 nan 0.000 0.437 199 E N 0.604 120.741 120.200 -0.104 0.000 2.498 199 E HA 0.029 4.383 4.350 0.006 0.000 0.203 199 E C -0.543 175.959 176.600 -0.164 0.000 1.013 199 E CA -0.100 56.229 56.400 -0.118 0.000 0.927 199 E CB 0.271 29.929 29.700 -0.070 0.000 1.012 199 E HN 0.301 nan 8.360 nan 0.000 0.482 200 K N 2.012 122.294 120.400 -0.196 0.000 5.230 200 K HA -0.266 4.057 4.320 0.006 0.000 0.331 200 K C 0.120 176.665 176.600 -0.092 0.000 0.863 200 K CA 1.160 57.336 56.287 -0.185 0.000 1.030 200 K CB -1.166 30.969 32.500 -0.608 0.000 1.845 200 K HN 0.645 nan 8.250 nan 0.000 0.404 201 E N -0.094 120.038 120.200 -0.113 0.000 3.423 201 E HA 0.512 4.865 4.350 0.006 0.000 0.222 201 E C -0.036 176.289 176.600 -0.459 0.000 1.236 201 E CA -0.746 55.516 56.400 -0.231 0.000 1.137 201 E CB 0.450 30.082 29.700 -0.113 0.000 3.049 201 E HN 0.104 nan 8.360 nan 0.000 0.608 202 F N -0.939 118.964 119.950 -0.078 0.000 4.691 202 F HA 0.435 4.966 4.527 0.006 0.000 0.326 202 F C -0.565 175.191 175.800 -0.074 0.000 0.930 202 F CA -0.245 57.680 58.000 -0.126 0.000 0.817 202 F CB 0.179 38.931 39.000 -0.412 0.000 2.040 202 F HN 0.377 nan 8.300 nan 0.000 0.449 203 N N -0.657 118.135 118.700 0.154 0.000 3.140 203 N HA 0.042 4.786 4.740 0.006 0.000 0.336 203 N C -2.098 173.466 175.510 0.090 0.000 1.270 203 N CA -0.610 52.492 53.050 0.086 0.000 0.820 203 N CB 0.587 39.128 38.487 0.090 0.000 1.876 203 N HN 0.307 nan 8.380 nan 0.000 0.352 204 K N 1.072 121.521 120.400 0.082 0.000 2.221 204 K HA 0.586 4.909 4.320 0.006 0.000 0.258 204 K C -0.412 176.219 176.600 0.050 0.000 0.944 204 K CA -0.253 56.085 56.287 0.085 0.000 0.823 204 K CB 1.212 33.746 32.500 0.056 0.000 1.113 204 K HN 0.574 nan 8.250 nan 0.000 0.431 205 G N 3.829 112.631 108.800 0.004 0.000 2.356 205 G HA2 0.280 4.244 3.960 0.006 0.000 0.298 205 G HA3 0.280 4.244 3.960 0.006 0.000 0.298 205 G C -1.829 172.959 174.900 -0.187 0.000 1.145 205 G CA -1.529 43.484 45.100 -0.145 0.000 0.850 205 G HN 0.448 nan 8.290 nan 0.000 0.487 206 P HA -0.130 nan 4.420 nan 0.000 0.221 206 P C -0.220 177.171 177.300 0.151 0.000 1.153 206 P CA 1.646 64.738 63.100 -0.012 0.000 0.858 206 P CB 0.062 31.753 31.700 -0.015 0.000 0.783 207 W N -3.903 117.390 121.300 -0.012 0.000 3.107 207 W HA 0.624 5.288 4.660 0.006 0.000 0.331 207 W C -1.087 175.405 176.519 -0.045 0.000 1.204 207 W CA -1.708 55.625 57.345 -0.020 0.000 1.184 207 W CB 0.515 29.968 29.460 -0.011 0.000 1.421 207 W HN -0.549 nan 8.180 nan 0.000 0.544 208 K N 2.294 122.853 120.400 0.263 0.000 2.524 208 K HA -0.076 4.247 4.320 0.006 0.000 0.279 208 K C 0.494 177.162 176.600 0.113 0.000 0.993 208 K CA 0.183 56.547 56.287 0.128 0.000 1.030 208 K CB 0.478 33.043 32.500 0.108 0.000 0.891 208 K HN 0.535 nan 8.250 nan 0.000 0.488 209 Q N 3.765 123.570 119.800 0.008 0.000 2.239 209 Q HA -0.115 4.229 4.340 0.006 0.000 0.286 209 Q C -0.502 175.508 176.000 0.016 0.000 1.102 209 Q CA 0.663 56.451 55.803 -0.026 0.000 0.936 209 Q CB 0.405 29.120 28.738 -0.038 0.000 1.127 209 Q HN 0.418 nan 8.270 nan 0.000 0.380 210 E N 3.228 123.431 120.200 0.004 0.000 2.446 210 E HA 0.357 4.710 4.350 0.006 0.000 0.251 210 E C -0.404 176.174 176.600 -0.038 0.000 1.087 210 E CA -0.894 55.502 56.400 -0.007 0.000 0.937 210 E CB 0.558 30.267 29.700 0.014 0.000 1.254 210 E HN 0.569 nan 8.360 nan 0.000 0.479 211 N N 0.027 118.694 118.700 -0.054 0.000 2.495 211 N HA 0.423 5.167 4.740 0.006 0.000 0.280 211 N C -0.266 175.171 175.510 -0.122 0.000 1.168 211 N CA -0.321 52.651 53.050 -0.130 0.000 0.978 211 N CB 1.584 39.996 38.487 -0.125 0.000 1.191 211 N HN 0.305 nan 8.380 nan 0.000 0.497 212 V N -2.539 117.256 119.914 -0.198 0.000 3.182 212 V HA 0.567 4.691 4.120 0.006 0.000 0.308 212 V C -0.205 175.808 176.094 -0.136 0.000 1.240 212 V CA -1.120 61.115 62.300 -0.108 0.000 1.063 212 V CB 1.600 33.347 31.823 -0.126 0.000 1.076 212 V HN 0.746 nan 8.190 nan 0.000 0.446 213 E N 1.412 121.566 120.200 -0.076 0.000 2.373 213 E HA 0.562 4.916 4.350 0.006 0.000 0.263 213 E C 1.258 177.802 176.600 -0.094 0.000 1.073 213 E CA 0.027 56.382 56.400 -0.076 0.000 0.894 213 E CB 1.741 31.417 29.700 -0.040 0.000 1.008 213 E HN 1.262 nan 8.360 nan 0.000 0.420 214 A N 3.361 126.129 122.820 -0.087 0.000 1.969 214 A HA -0.267 4.056 4.320 0.006 0.000 0.223 214 A C 1.523 179.075 177.584 -0.054 0.000 1.218 214 A CA 2.073 54.065 52.037 -0.075 0.000 0.667 214 A CB -0.517 18.451 19.000 -0.053 0.000 0.826 214 A HN 0.739 nan 8.150 nan 0.000 0.472 215 E N -1.086 119.088 120.200 -0.043 0.000 2.651 215 E HA 0.411 4.765 4.350 0.006 0.000 0.208 215 E C 0.124 176.708 176.600 -0.026 0.000 0.997 215 E CA 0.372 56.757 56.400 -0.026 0.000 1.020 215 E CB 0.138 29.827 29.700 -0.018 0.000 1.052 215 E HN 0.565 nan 8.360 nan 0.000 0.465 216 A N 1.455 124.251 122.820 -0.040 0.000 2.567 216 A HA 0.138 4.462 4.320 0.006 0.000 0.240 216 A C 1.247 178.819 177.584 -0.020 0.000 1.053 216 A CA 1.060 53.074 52.037 -0.038 0.000 0.755 216 A CB 0.172 19.137 19.000 -0.058 0.000 0.978 216 A HN 0.228 nan 8.150 nan 0.000 0.507 217 S N 1.516 117.209 115.700 -0.010 0.000 2.546 217 S HA 0.282 4.756 4.470 0.006 0.000 0.282 217 S C 0.274 174.887 174.600 0.022 0.000 1.074 217 S CA -0.169 58.037 58.200 0.011 0.000 1.254 217 S CB -0.053 63.156 63.200 0.016 0.000 1.103 217 S HN 0.611 nan 8.310 nan 0.000 0.589 218 M N 2.056 121.661 119.600 0.008 0.000 2.528 218 M HA 0.639 5.122 4.480 0.006 0.000 0.321 218 M C -1.595 174.691 176.300 -0.023 0.000 1.153 218 M CA -0.719 54.594 55.300 0.021 0.000 0.951 218 M CB 2.366 34.988 32.600 0.036 0.000 1.705 218 M HN 0.005 nan 8.290 nan 0.000 0.451 219 V N 3.963 123.870 119.914 -0.013 0.000 2.525 219 V HA 0.534 4.658 4.120 0.006 0.000 0.299 219 V C -0.532 175.510 176.094 -0.087 0.000 1.034 219 V CA -0.541 61.735 62.300 -0.040 0.000 0.863 219 V CB 2.119 33.947 31.823 0.007 0.000 0.999 219 V HN 0.705 nan 8.190 nan 0.000 0.423 220 I N 3.650 124.107 120.570 -0.190 0.000 2.460 220 I HA 0.780 4.954 4.170 0.006 0.000 0.298 220 I C 0.262 176.354 176.117 -0.041 0.000 0.989 220 I CA -0.700 60.453 61.300 -0.245 0.000 1.173 220 I CB 2.019 39.666 38.000 -0.588 0.000 1.338 220 I HN 0.651 nan 8.210 nan 0.000 0.456 221 A N 6.249 129.136 122.820 0.112 0.000 2.293 221 A HA 0.616 4.939 4.320 0.006 0.000 0.312 221 A C -0.548 177.274 177.584 0.395 0.000 1.309 221 A CA -0.501 51.690 52.037 0.257 0.000 0.839 221 A CB 0.726 19.900 19.000 0.289 0.000 1.155 221 A HN 0.448 nan 8.150 nan 0.000 0.501 222 V N 5.441 125.541 119.914 0.310 0.000 2.508 222 V HA 0.215 4.339 4.120 0.006 0.000 0.281 222 V C -1.761 174.389 176.094 0.095 0.000 1.041 222 V CA -1.186 61.267 62.300 0.255 0.000 1.016 222 V CB 0.690 32.666 31.823 0.255 0.000 0.984 222 V HN 0.794 nan 8.190 nan 0.000 0.478 223 P HA 0.011 nan 4.420 nan 0.000 0.268 223 P C 1.034 178.184 177.300 -0.249 0.000 1.208 223 P CA 0.064 62.598 63.100 -0.942 0.000 0.777 223 P CB 0.754 32.115 31.700 -0.565 0.000 0.875 224 E N 2.246 122.311 120.200 -0.225 0.000 2.654 224 E HA -0.241 4.112 4.350 0.006 0.000 0.247 224 E C -0.821 175.807 176.600 0.046 0.000 0.985 224 E CA 2.785 59.212 56.400 0.045 0.000 1.260 224 E CB -2.312 27.421 29.700 0.056 0.000 1.214 224 E HN 0.514 nan 8.360 nan 0.000 0.499 225 P HA -0.099 nan 4.420 nan 0.000 0.234 225 P C 0.688 177.744 177.300 -0.407 0.000 1.162 225 P CA 1.238 64.217 63.100 -0.201 0.000 0.759 225 P CB -0.191 31.344 31.700 -0.275 0.000 0.813 226 F N -1.982 117.987 119.950 0.032 0.000 2.531 226 F HA 0.386 4.917 4.527 0.006 0.000 0.273 226 F C 1.686 177.573 175.800 0.145 0.000 0.960 226 F CA 0.769 58.814 58.000 0.075 0.000 1.207 226 F CB -0.627 38.419 39.000 0.077 0.000 1.012 226 F HN -0.120 nan 8.300 nan 0.000 0.738 227 G N 0.469 109.487 108.800 0.363 0.000 2.894 227 G HA2 0.304 4.268 3.960 0.006 0.000 0.247 227 G HA3 0.304 4.268 3.960 0.006 0.000 0.247 227 G C 0.308 175.406 174.900 0.331 0.000 1.442 227 G CA -0.222 45.078 45.100 0.333 0.000 0.897 227 G HN 1.457 nan 8.290 nan 0.000 0.550 228 G N -1.750 107.201 108.800 0.252 0.000 2.582 228 G HA2 0.538 4.501 3.960 0.006 0.000 0.222 228 G HA3 0.538 4.501 3.960 0.006 0.000 0.222 228 G C -0.030 174.879 174.900 0.014 0.000 1.311 228 G CA 0.879 45.970 45.100 -0.014 0.000 0.915 228 G HN 2.963 nan 8.290 nan 0.000 0.528 229 A N -0.839 121.833 122.820 -0.247 0.000 2.427 229 A HA 0.786 5.110 4.320 0.006 0.000 0.298 229 A C -0.470 177.055 177.584 -0.098 0.000 1.036 229 A CA -0.393 51.613 52.037 -0.051 0.000 0.701 229 A CB 1.186 20.247 19.000 0.101 0.000 1.250 229 A HN 1.277 nan 8.150 nan 0.000 0.412 230 I N 2.281 122.821 120.570 -0.051 0.000 2.359 230 I HA 0.405 4.579 4.170 0.006 0.000 0.294 230 I C -0.921 175.152 176.117 -0.073 0.000 0.987 230 I CA -0.464 60.800 61.300 -0.061 0.000 1.225 230 I CB 1.524 39.428 38.000 -0.160 0.000 1.366 230 I HN 0.482 nan 8.210 nan 0.000 0.466 231 I N 7.535 128.091 120.570 -0.023 0.000 2.465 231 I HA 0.428 4.601 4.170 0.006 0.000 0.291 231 I C -0.513 175.578 176.117 -0.043 0.000 1.014 231 I CA -0.080 61.213 61.300 -0.012 0.000 1.093 231 I CB 1.681 39.728 38.000 0.078 0.000 1.267 231 I HN 0.327 nan 8.210 nan 0.000 0.431 232 I N 5.419 125.956 120.570 -0.056 0.000 2.439 232 I HA 0.614 4.787 4.170 0.006 0.000 0.285 232 I C 0.518 176.607 176.117 -0.046 0.000 1.021 232 I CA -0.067 61.194 61.300 -0.064 0.000 1.091 232 I CB 1.672 39.625 38.000 -0.079 0.000 1.242 232 I HN 0.693 nan 8.210 nan 0.000 0.439 233 G N 4.623 113.394 108.800 -0.049 0.000 3.039 233 G HA2 0.439 4.403 3.960 0.006 0.000 0.159 233 G HA3 0.439 4.403 3.960 0.006 0.000 0.159 233 G C -0.715 174.156 174.900 -0.049 0.000 1.284 233 G CA -0.271 44.804 45.100 -0.042 0.000 0.996 233 G HN 0.382 nan 8.290 nan 0.000 0.592 234 Q N 0.066 119.839 119.800 -0.044 0.000 2.214 234 Q HA 0.293 4.636 4.340 0.006 0.000 0.251 234 Q C 0.478 176.445 176.000 -0.056 0.000 0.936 234 Q CA 0.196 55.970 55.803 -0.048 0.000 0.894 234 Q CB 1.710 30.427 28.738 -0.035 0.000 1.252 234 Q HN 0.820 nan 8.270 nan 0.000 0.448 235 E N -1.178 118.982 120.200 -0.067 0.000 3.603 235 E HA -0.265 4.089 4.350 0.006 0.000 0.295 235 E C -0.288 176.264 176.600 -0.080 0.000 0.720 235 E CA 1.877 58.235 56.400 -0.070 0.000 0.983 235 E CB -1.199 28.472 29.700 -0.048 0.000 1.514 235 E HN 0.323 nan 8.360 nan 0.000 0.455 236 S N -0.626 115.026 115.700 -0.079 0.000 2.549 236 S HA 0.786 5.260 4.470 0.006 0.000 0.280 236 S C -1.263 173.284 174.600 -0.087 0.000 1.109 236 S CA -0.741 57.413 58.200 -0.077 0.000 0.905 236 S CB 1.177 64.348 63.200 -0.049 0.000 1.081 236 S HN 0.321 nan 8.310 nan 0.000 0.477 237 I N 2.570 123.080 120.570 -0.099 0.000 2.656 237 I HA 0.512 4.686 4.170 0.006 0.000 0.292 237 I C -0.541 175.501 176.117 -0.126 0.000 1.144 237 I CA -0.206 61.029 61.300 -0.109 0.000 1.038 237 I CB 2.771 40.690 38.000 -0.135 0.000 1.244 237 I HN 0.871 nan 8.210 nan 0.000 0.420 238 T N 1.237 115.721 114.554 -0.115 0.000 2.883 238 T HA 0.618 4.972 4.350 0.006 0.000 0.296 238 T C -1.371 173.235 174.700 -0.156 0.000 1.117 238 T CA -0.899 61.075 62.100 -0.211 0.000 1.006 238 T CB 2.001 70.753 68.868 -0.192 0.000 1.191 238 T HN 0.412 nan 8.240 nan 0.000 0.508 239 Y N 0.652 120.650 120.300 -0.503 0.000 2.462 239 Y HA 0.633 5.186 4.550 0.006 0.000 0.346 239 Y C -0.747 174.803 175.900 -0.584 0.000 0.976 239 Y CA -0.705 57.174 58.100 -0.367 0.000 1.044 239 Y CB 1.709 39.986 38.460 -0.305 0.000 1.230 239 Y HN 0.846 nan 8.280 nan 0.000 0.455 240 H N 4.319 122.979 119.070 -0.683 0.000 2.930 240 H HA 0.412 4.971 4.556 0.006 0.000 0.371 240 H C -1.472 173.254 175.328 -1.003 0.000 1.169 240 H CA -1.079 54.625 56.048 -0.574 0.000 1.157 240 H CB 2.477 32.084 29.762 -0.258 0.000 1.789 240 H HN 0.646 nan 8.280 nan 0.000 0.547 241 N N 0.567 118.716 118.700 -0.919 0.000 3.126 241 N HA 0.099 4.843 4.740 0.006 0.000 0.233 241 N C 0.636 175.523 175.510 -1.039 0.000 1.069 241 N CA 0.613 52.881 53.050 -1.304 0.000 1.071 241 N CB 1.594 39.719 38.487 -0.604 0.000 1.683 241 N HN 0.925 nan 8.380 nan 0.000 0.586 242 G N 3.318 111.359 108.800 -1.264 0.000 2.685 242 G HA2 -0.386 3.578 3.960 0.006 0.000 0.357 242 G HA3 -0.386 3.578 3.960 0.006 0.000 0.357 242 G C 0.460 175.168 174.900 -0.320 0.000 1.272 242 G CA 1.298 46.151 45.100 -0.412 0.000 0.972 242 G HN 0.772 nan 8.290 nan 0.000 0.550 243 D N 0.945 121.262 120.400 -0.139 0.000 2.347 243 D HA 0.055 4.698 4.640 0.006 0.000 0.213 243 D C 1.243 177.513 176.300 -0.050 0.000 0.985 243 D CA 0.777 54.738 54.000 -0.065 0.000 0.879 243 D CB 0.209 40.998 40.800 -0.019 0.000 0.919 243 D HN 0.304 nan 8.370 nan 0.000 0.526 244 K N 0.651 121.002 120.400 -0.082 0.000 2.297 244 K HA 0.087 4.411 4.320 0.006 0.000 0.286 244 K C -1.355 175.261 176.600 0.027 0.000 1.053 244 K CA -0.362 55.925 56.287 -0.001 0.000 0.940 244 K CB 0.295 32.824 32.500 0.048 0.000 1.019 244 K HN -0.111 nan 8.250 nan 0.000 0.475 245 Y N 5.485 125.735 120.300 -0.083 0.000 2.373 245 Y HA 0.382 4.935 4.550 0.006 0.000 0.327 245 Y C -1.922 173.911 175.900 -0.112 0.000 1.036 245 Y CA -0.811 57.194 58.100 -0.157 0.000 1.265 245 Y CB 0.694 39.062 38.460 -0.153 0.000 1.108 245 Y HN 0.491 nan 8.280 nan 0.000 0.471 246 L N 5.748 126.652 121.223 -0.531 0.000 2.322 246 L HA 0.966 5.310 4.340 0.006 0.000 0.281 246 L C -0.577 175.931 176.870 -0.603 0.000 1.014 246 L CA -0.783 53.786 54.840 -0.450 0.000 0.815 246 L CB 1.689 43.586 42.059 -0.270 0.000 1.247 246 L HN 0.780 nan 8.230 nan 0.000 0.421 247 A N 4.640 127.178 122.820 -0.470 0.000 2.572 247 A HA 0.907 5.231 4.320 0.006 0.000 0.295 247 A C -1.195 176.275 177.584 -0.191 0.000 1.072 247 A CA -0.489 51.329 52.037 -0.364 0.000 0.691 247 A CB 1.900 20.650 19.000 -0.417 0.000 1.291 247 A HN 0.693 nan 8.150 nan 0.000 0.404 248 I N -2.511 117.969 120.570 -0.150 0.000 2.894 248 I HA 0.878 5.052 4.170 0.006 0.000 0.302 248 I C -0.293 175.770 176.117 -0.090 0.000 1.188 248 I CA -1.009 60.226 61.300 -0.108 0.000 1.014 248 I CB 2.577 40.510 38.000 -0.111 0.000 1.242 248 I HN 0.893 nan 8.210 nan 0.000 0.430 249 A N 4.127 126.904 122.820 -0.072 0.000 3.297 249 A HA 0.594 4.917 4.320 0.006 0.000 0.304 249 A C -2.676 174.871 177.584 -0.062 0.000 0.963 249 A CA -1.142 50.856 52.037 -0.064 0.000 0.935 249 A CB -0.278 18.695 19.000 -0.045 0.000 1.093 249 A HN 0.567 nan 8.150 nan 0.000 0.480 250 P HA 0.250 nan 4.420 nan 0.000 0.279 250 P C -2.297 174.965 177.300 -0.062 0.000 1.318 250 P CA -1.118 61.941 63.100 -0.069 0.000 0.819 250 P CB 1.151 32.796 31.700 -0.092 0.000 0.927 251 P HA -0.210 nan 4.420 nan 0.000 0.218 251 P C 1.673 178.962 177.300 -0.019 0.000 1.150 251 P CA 0.974 64.059 63.100 -0.025 0.000 0.841 251 P CB -0.134 31.559 31.700 -0.011 0.000 0.784 252 I N -0.163 120.401 120.570 -0.009 0.000 2.143 252 I HA -0.279 3.895 4.170 0.006 0.000 0.245 252 I C 1.948 178.072 176.117 0.012 0.000 1.068 252 I CA 1.847 63.166 61.300 0.032 0.000 1.326 252 I CB -0.205 37.840 38.000 0.074 0.000 1.028 252 I HN -0.087 nan 8.210 nan 0.000 0.412 253 I N -2.059 118.442 120.570 -0.114 0.000 2.876 253 I HA -0.139 4.034 4.170 0.006 0.000 0.264 253 I C 2.329 178.395 176.117 -0.085 0.000 1.204 253 I CA 0.807 61.997 61.300 -0.183 0.000 1.485 253 I CB -0.571 37.212 38.000 -0.363 0.000 1.103 253 I HN 0.115 nan 8.210 nan 0.000 0.446 254 K N 1.527 121.892 120.400 -0.060 0.000 2.113 254 K HA -0.257 4.067 4.320 0.006 0.000 0.208 254 K C 2.162 178.749 176.600 -0.021 0.000 1.047 254 K CA 2.036 58.299 56.287 -0.040 0.000 0.928 254 K CB -0.169 32.313 32.500 -0.030 0.000 0.716 254 K HN 0.497 nan 8.250 nan 0.000 0.446 255 Q N -0.456 119.342 119.800 -0.003 0.000 2.268 255 Q HA -0.129 4.215 4.340 0.006 0.000 0.210 255 Q C 0.569 176.572 176.000 0.005 0.000 0.988 255 Q CA 1.154 56.962 55.803 0.010 0.000 0.883 255 Q CB 0.040 28.797 28.738 0.032 0.000 0.911 255 Q HN 0.161 nan 8.270 nan 0.000 0.430 256 S N -1.594 114.111 115.700 0.008 0.000 2.596 256 S HA 0.306 4.780 4.470 0.006 0.000 0.270 256 S C -1.057 173.538 174.600 -0.007 0.000 1.155 256 S CA -0.946 57.256 58.200 0.002 0.000 0.827 256 S CB 1.955 65.171 63.200 0.026 0.000 1.130 256 S HN 0.020 nan 8.310 nan 0.000 0.467 257 T N 2.939 117.487 114.554 -0.010 0.000 2.869 257 T HA 0.442 4.796 4.350 0.006 0.000 0.295 257 T C 0.313 175.020 174.700 0.010 0.000 0.987 257 T CA -0.125 61.969 62.100 -0.010 0.000 1.109 257 T CB 0.094 68.956 68.868 -0.009 0.000 0.932 257 T HN 0.482 nan 8.240 nan 0.000 0.518 258 I N 2.420 122.990 120.570 -0.000 0.000 2.779 258 I HA 0.137 4.311 4.170 0.006 0.000 0.285 258 I C 1.039 177.183 176.117 0.045 0.000 1.134 258 I CA 0.365 61.684 61.300 0.030 0.000 1.398 258 I CB 0.848 38.848 38.000 -0.000 0.000 1.404 258 I HN 0.423 nan 8.210 nan 0.000 0.587 259 V N 2.520 122.476 119.914 0.070 0.000 3.188 259 V HA 0.096 4.220 4.120 0.006 0.000 0.258 259 V C -0.714 175.421 176.094 0.067 0.000 1.702 259 V CA 0.329 62.665 62.300 0.060 0.000 1.020 259 V CB 0.801 32.652 31.823 0.046 0.000 0.884 259 V HN 0.983 nan 8.190 nan 0.000 0.399 260 C N -0.073 119.280 119.300 0.089 0.000 3.284 260 C HA 0.869 5.332 4.460 0.006 0.000 0.338 260 C C -0.782 174.285 174.990 0.128 0.000 1.237 260 C CA -0.561 58.491 59.018 0.057 0.000 1.276 260 C CB 0.842 28.592 27.740 0.016 0.000 1.601 260 C HN 0.731 nan 8.230 nan 0.000 0.494 261 H N 0.156 119.278 119.070 0.087 0.000 2.990 261 H HA 0.894 5.454 4.556 0.006 0.000 0.343 261 H C -1.176 174.251 175.328 0.166 0.000 1.270 261 H CA -0.472 55.646 56.048 0.116 0.000 1.118 261 H CB 1.377 31.180 29.762 0.068 0.000 1.861 261 H HN 0.948 nan 8.280 nan 0.000 0.544 262 N N -0.233 118.715 118.700 0.412 0.000 2.635 262 N HA 0.182 4.925 4.740 0.006 0.000 0.260 262 N C -1.781 173.955 175.510 0.377 0.000 1.078 262 N CA -0.747 52.502 53.050 0.331 0.000 1.012 262 N CB 2.071 40.670 38.487 0.187 0.000 1.677 262 N HN 0.822 nan 8.380 nan 0.000 0.514 263 R N 2.588 123.249 120.500 0.268 0.000 2.491 263 R HA 0.341 4.685 4.340 0.006 0.000 0.283 263 R C 0.034 176.235 176.300 -0.164 0.000 1.072 263 R CA -0.225 55.727 56.100 -0.246 0.000 1.048 263 R CB 0.578 30.736 30.300 -0.238 0.000 0.983 263 R HN 0.447 nan 8.270 nan 0.000 0.450 264 V N 2.090 121.796 119.914 -0.348 0.000 2.490 264 V HA 0.022 4.146 4.120 0.006 0.000 0.238 264 V C 0.144 176.019 176.094 -0.365 0.000 1.056 264 V CA 0.979 63.024 62.300 -0.425 0.000 1.075 264 V CB -0.097 31.385 31.823 -0.568 0.000 0.746 264 V HN 0.743 nan 8.190 nan 0.000 0.479 265 D N 1.487 121.674 120.400 -0.355 0.000 2.359 265 D HA 0.244 4.888 4.640 0.006 0.000 0.230 265 D C -1.627 174.579 176.300 -0.156 0.000 1.118 265 D CA -1.802 52.063 54.000 -0.224 0.000 0.844 265 D CB 1.572 42.254 40.800 -0.197 0.000 1.059 265 D HN 0.092 nan 8.370 nan 0.000 0.493 266 P HA -0.277 nan 4.420 nan 0.000 0.222 266 P C 1.120 178.409 177.300 -0.018 0.000 1.155 266 P CA 1.411 64.501 63.100 -0.018 0.000 0.890 266 P CB 0.203 31.919 31.700 0.026 0.000 0.790 267 N N -0.740 117.970 118.700 0.016 0.000 2.244 267 N HA -0.100 4.644 4.740 0.006 0.000 0.183 267 N C 1.376 176.989 175.510 0.171 0.000 1.016 267 N CA 1.726 54.855 53.050 0.131 0.000 0.866 267 N CB -0.959 37.640 38.487 0.186 0.000 0.980 267 N HN 0.281 nan 8.380 nan 0.000 0.430 268 G N 0.178 108.939 108.800 -0.066 0.000 2.167 268 G HA2 -0.253 3.711 3.960 0.006 0.000 0.194 268 G HA3 -0.253 3.711 3.960 0.006 0.000 0.194 268 G C 0.702 175.361 174.900 -0.402 0.000 1.027 268 G CA 0.479 45.406 45.100 -0.289 0.000 0.717 268 G HN 0.578 nan 8.290 nan 0.000 0.501 269 S N -1.005 114.519 115.700 -0.292 0.000 2.428 269 S HA 0.212 4.686 4.470 0.006 0.000 0.230 269 S C 1.122 175.600 174.600 -0.203 0.000 1.014 269 S CA 0.774 58.812 58.200 -0.270 0.000 0.957 269 S CB 0.428 63.569 63.200 -0.098 0.000 0.784 269 S HN 0.681 nan 8.310 nan 0.000 0.499 270 R N -0.473 119.869 120.500 -0.263 0.000 2.750 270 R HA 0.704 5.047 4.340 0.006 0.000 0.281 270 R C -1.885 174.197 176.300 -0.362 0.000 0.972 270 R CA -0.607 55.365 56.100 -0.214 0.000 0.912 270 R CB 1.533 31.709 30.300 -0.207 0.000 1.187 270 R HN 0.253 nan 8.270 nan 0.000 0.464 271 Y N 0.793 121.051 120.300 -0.070 0.000 2.519 271 Y HA 0.314 4.868 4.550 0.006 0.000 0.336 271 Y C -0.529 175.388 175.900 0.028 0.000 1.089 271 Y CA -0.847 57.248 58.100 -0.008 0.000 1.025 271 Y CB 1.825 40.284 38.460 -0.002 0.000 1.318 271 Y HN 0.234 nan 8.280 nan 0.000 0.452 272 L N 4.243 125.611 121.223 0.241 0.000 2.399 272 L HA 0.580 4.924 4.340 0.006 0.000 0.266 272 L C -0.796 176.217 176.870 0.239 0.000 1.114 272 L CA -0.762 54.197 54.840 0.198 0.000 0.804 272 L CB 0.931 43.086 42.059 0.160 0.000 1.146 272 L HN 0.428 nan 8.230 nan 0.000 0.451 273 L N 1.266 122.631 121.223 0.236 0.000 2.436 273 L HA 0.569 4.913 4.340 0.006 0.000 0.268 273 L C 0.022 177.049 176.870 0.263 0.000 0.974 273 L CA -0.479 54.514 54.840 0.256 0.000 0.826 273 L CB 1.964 44.175 42.059 0.253 0.000 1.291 273 L HN 0.665 nan 8.230 nan 0.000 0.406 274 G N 0.430 109.345 108.800 0.193 0.000 2.461 274 G HA2 0.554 4.518 3.960 0.006 0.000 0.329 274 G HA3 0.554 4.518 3.960 0.006 0.000 0.329 274 G C -1.736 173.259 174.900 0.158 0.000 1.170 274 G CA -0.047 45.140 45.100 0.145 0.000 0.935 274 G HN 0.529 nan 8.290 nan 0.000 0.492 275 D N 0.247 120.723 120.400 0.125 0.000 2.819 275 D HA 0.187 4.831 4.640 0.006 0.000 0.232 275 D C 1.263 177.596 176.300 0.054 0.000 1.160 275 D CA -0.781 53.294 54.000 0.125 0.000 0.858 275 D CB 1.939 42.859 40.800 0.200 0.000 1.610 275 D HN 0.169 nan 8.370 nan 0.000 0.481 276 M N 1.954 121.566 119.600 0.021 0.000 2.260 276 M HA -0.152 4.331 4.480 0.006 0.000 0.261 276 M C 0.679 176.950 176.300 -0.048 0.000 1.066 276 M CA 1.785 57.064 55.300 -0.034 0.000 1.082 276 M CB -0.041 32.504 32.600 -0.091 0.000 1.388 276 M HN 0.479 nan 8.290 nan 0.000 0.419 277 E N -1.058 119.133 120.200 -0.015 0.000 2.158 277 E HA 0.036 4.390 4.350 0.006 0.000 0.191 277 E C 1.515 178.119 176.600 0.006 0.000 0.982 277 E CA 1.141 57.534 56.400 -0.013 0.000 0.823 277 E CB 0.067 29.774 29.700 0.011 0.000 0.766 277 E HN 0.728 nan 8.360 nan 0.000 0.468 278 G N 1.383 110.190 108.800 0.011 0.000 2.205 278 G HA2 -0.194 3.770 3.960 0.006 0.000 0.180 278 G HA3 -0.194 3.770 3.960 0.006 0.000 0.180 278 G C 0.219 175.096 174.900 -0.038 0.000 1.004 278 G CA -0.327 44.771 45.100 -0.004 0.000 0.670 278 G HN 0.068 nan 8.290 nan 0.000 0.496 279 R N -0.380 120.089 120.500 -0.052 0.000 2.539 279 R HA 0.626 4.970 4.340 0.006 0.000 0.275 279 R C -0.615 175.518 176.300 -0.278 0.000 1.077 279 R CA -0.342 55.638 56.100 -0.201 0.000 1.097 279 R CB 1.173 31.326 30.300 -0.245 0.000 1.018 279 R HN 0.186 nan 8.270 nan 0.000 0.483 280 L N 3.039 123.988 121.223 -0.455 0.000 2.362 280 L HA 0.494 4.838 4.340 0.006 0.000 0.275 280 L C -1.478 175.101 176.870 -0.484 0.000 0.998 280 L CA -0.226 54.441 54.840 -0.289 0.000 0.820 280 L CB 1.235 43.216 42.059 -0.130 0.000 1.270 280 L HN 0.420 nan 8.230 nan 0.000 0.415 281 F N 4.114 124.082 119.950 0.029 0.000 2.556 281 F HA 0.670 5.201 4.527 0.006 0.000 0.327 281 F C -0.031 175.777 175.800 0.014 0.000 1.059 281 F CA -0.747 57.262 58.000 0.015 0.000 0.953 281 F CB 1.920 40.926 39.000 0.010 0.000 1.227 281 F HN 0.346 nan 8.300 nan 0.000 0.478 282 M N 3.244 122.957 119.600 0.190 0.000 2.227 282 M HA 0.449 4.933 4.480 0.006 0.000 0.335 282 M C -1.762 174.595 176.300 0.094 0.000 1.053 282 M CA -0.476 54.880 55.300 0.094 0.000 0.973 282 M CB 1.213 33.812 32.600 -0.002 0.000 1.623 282 M HN 0.516 nan 8.290 nan 0.000 0.434 283 L N 6.417 127.692 121.223 0.087 0.000 2.298 283 L HA 0.567 4.910 4.340 0.006 0.000 0.284 283 L C -1.890 174.993 176.870 0.021 0.000 1.013 283 L CA -0.724 54.142 54.840 0.043 0.000 0.824 283 L CB 0.857 42.940 42.059 0.040 0.000 1.221 283 L HN 0.725 nan 8.230 nan 0.000 0.418 284 L N 5.682 126.886 121.223 -0.032 0.000 2.317 284 L HA 0.488 4.832 4.340 0.006 0.000 0.281 284 L C -0.501 176.307 176.870 -0.103 0.000 1.024 284 L CA -0.152 54.650 54.840 -0.064 0.000 0.810 284 L CB 1.856 43.875 42.059 -0.067 0.000 1.240 284 L HN 0.490 nan 8.230 nan 0.000 0.427 285 L N 3.165 124.303 121.223 -0.141 0.000 2.295 285 L HA 0.397 4.740 4.340 0.006 0.000 0.281 285 L C 0.103 176.885 176.870 -0.147 0.000 1.018 285 L CA -0.345 54.368 54.840 -0.211 0.000 0.841 285 L CB 1.314 43.148 42.059 -0.376 0.000 1.218 285 L HN 0.608 nan 8.230 nan 0.000 0.424 286 E N 4.755 124.888 120.200 -0.111 0.000 2.129 286 E HA 0.132 4.486 4.350 0.006 0.000 0.283 286 E C -0.258 176.338 176.600 -0.007 0.000 1.080 286 E CA -0.224 56.144 56.400 -0.054 0.000 0.867 286 E CB 0.828 30.492 29.700 -0.060 0.000 1.056 286 E HN 0.459 nan 8.360 nan 0.000 0.404 287 K N 2.913 123.358 120.400 0.074 0.000 2.545 287 K HA 0.233 4.556 4.320 0.006 0.000 0.269 287 K C 0.138 176.761 176.600 0.038 0.000 1.071 287 K CA -0.188 56.181 56.287 0.137 0.000 0.919 287 K CB 0.362 32.959 32.500 0.161 0.000 1.169 287 K HN 0.467 nan 8.250 nan 0.000 0.493 288 E N -0.450 119.758 120.200 0.013 0.000 2.790 288 E HA 0.019 4.373 4.350 0.006 0.000 0.298 288 E C -1.963 174.622 176.600 -0.025 0.000 1.166 288 E CA -0.146 56.248 56.400 -0.010 0.000 0.924 288 E CB 1.264 30.955 29.700 -0.014 0.000 1.144 288 E HN 0.573 nan 8.360 nan 0.000 0.455 289 E N 1.274 121.458 120.200 -0.026 0.000 2.339 289 E HA 0.479 4.833 4.350 0.006 0.000 0.262 289 E C -1.261 175.324 176.600 -0.025 0.000 0.934 289 E CA -0.454 55.927 56.400 -0.032 0.000 0.802 289 E CB 1.779 31.459 29.700 -0.033 0.000 1.275 289 E HN 0.446 nan 8.360 nan 0.000 0.427 290 Q N 0.976 120.761 119.800 -0.026 0.000 2.553 290 Q HA 0.371 4.715 4.340 0.006 0.000 0.293 290 Q C -0.127 175.861 176.000 -0.020 0.000 1.038 290 Q CA -0.736 55.055 55.803 -0.019 0.000 0.777 290 Q CB 1.627 30.356 28.738 -0.016 0.000 1.487 290 Q HN 0.479 nan 8.270 nan 0.000 0.426 291 M N 0.495 120.086 119.600 -0.015 0.000 2.938 291 M HA -0.053 4.431 4.480 0.006 0.000 0.282 291 M C -0.070 176.221 176.300 -0.015 0.000 1.122 291 M CA 1.418 56.709 55.300 -0.014 0.000 1.069 291 M CB -0.161 32.433 32.600 -0.011 0.000 1.140 291 M HN 0.677 nan 8.290 nan 0.000 0.549 292 D N 1.375 121.768 120.400 -0.011 0.000 2.671 292 D HA 0.352 4.996 4.640 0.006 0.000 0.228 292 D C -0.419 175.874 176.300 -0.011 0.000 1.102 292 D CA 0.440 54.433 54.000 -0.010 0.000 1.044 292 D CB -0.675 40.121 40.800 -0.006 0.000 1.113 292 D HN 0.515 nan 8.370 nan 0.000 0.480 293 G N -0.341 108.449 108.800 -0.016 0.000 2.691 293 G HA2 0.311 4.275 3.960 0.006 0.000 0.298 293 G HA3 0.311 4.275 3.960 0.006 0.000 0.298 293 G C 0.375 175.257 174.900 -0.029 0.000 1.471 293 G CA -0.640 44.450 45.100 -0.017 0.000 0.912 293 G HN 0.074 nan 8.290 nan 0.000 0.553 294 T N -0.414 114.118 114.554 -0.035 0.000 5.430 294 T HA 0.436 4.790 4.350 0.006 0.000 0.400 294 T C 0.716 175.370 174.700 -0.076 0.000 0.998 294 T CA 0.800 62.864 62.100 -0.061 0.000 0.892 294 T CB -0.102 68.726 68.868 -0.066 0.000 1.448 294 T HN 1.424 nan 8.240 nan 0.000 0.414 295 V N -0.421 119.425 119.914 -0.113 0.000 2.409 295 V HA 0.606 4.729 4.120 0.006 0.000 0.290 295 V C 0.301 176.342 176.094 -0.087 0.000 1.017 295 V CA -0.976 61.246 62.300 -0.129 0.000 0.841 295 V CB 0.606 32.288 31.823 -0.235 0.000 1.003 295 V HN 0.882 nan 8.190 nan 0.000 0.426 296 T N 4.527 119.060 114.554 -0.035 0.000 3.141 296 T HA 0.607 4.961 4.350 0.006 0.000 0.391 296 T C -0.421 174.292 174.700 0.022 0.000 1.170 296 T CA 0.369 62.467 62.100 -0.004 0.000 1.054 296 T CB 0.400 69.260 68.868 -0.013 0.000 1.487 296 T HN 0.619 nan 8.240 nan 0.000 0.530 297 L N 1.107 122.314 121.223 -0.027 0.000 2.505 297 L HA 0.485 4.829 4.340 0.006 0.000 0.266 297 L C 0.313 177.117 176.870 -0.109 0.000 0.954 297 L CA -0.632 54.161 54.840 -0.078 0.000 0.852 297 L CB 2.061 43.973 42.059 -0.244 0.000 1.282 297 L HN 0.545 nan 8.230 nan 0.000 0.403 298 K N 0.775 121.122 120.400 -0.089 0.000 2.141 298 K HA 0.257 4.581 4.320 0.006 0.000 0.202 298 K C 0.089 176.624 176.600 -0.108 0.000 1.045 298 K CA 1.178 57.416 56.287 -0.082 0.000 0.971 298 K CB 0.325 32.793 32.500 -0.054 0.000 0.795 298 K HN 0.641 nan 8.250 nan 0.000 0.459 299 D N -1.474 118.852 120.400 -0.123 0.000 2.759 299 D HA 0.394 5.038 4.640 0.006 0.000 0.321 299 D C -1.584 174.618 176.300 -0.163 0.000 1.267 299 D CA -0.436 53.482 54.000 -0.137 0.000 0.933 299 D CB 1.074 41.815 40.800 -0.098 0.000 1.431 299 D HN 0.027 nan 8.370 nan 0.000 0.504 300 L N -1.236 119.896 121.223 -0.152 0.000 2.506 300 L HA 0.825 5.169 4.340 0.006 0.000 0.257 300 L C -1.303 175.500 176.870 -0.112 0.000 0.964 300 L CA -0.913 53.839 54.840 -0.146 0.000 0.836 300 L CB 2.453 44.403 42.059 -0.182 0.000 1.384 300 L HN 0.609 nan 8.230 nan 0.000 0.410 301 R N 1.506 121.952 120.500 -0.091 0.000 2.752 301 R HA 0.805 5.148 4.340 0.006 0.000 0.271 301 R C -2.164 174.104 176.300 -0.052 0.000 1.026 301 R CA -0.804 55.253 56.100 -0.072 0.000 0.901 301 R CB 2.123 32.388 30.300 -0.057 0.000 1.243 301 R HN 0.477 nan 8.270 nan 0.000 0.463 302 V N 0.971 120.860 119.914 -0.041 0.000 2.459 302 V HA 0.389 4.513 4.120 0.006 0.000 0.295 302 V C -0.533 175.603 176.094 0.070 0.000 1.029 302 V CA -0.478 61.824 62.300 0.002 0.000 0.874 302 V CB 1.670 33.435 31.823 -0.096 0.000 0.985 302 V HN 0.716 nan 8.190 nan 0.000 0.438 303 E N 3.889 124.167 120.200 0.131 0.000 2.220 303 E HA 0.300 4.653 4.350 0.006 0.000 0.256 303 E C -1.081 175.618 176.600 0.166 0.000 0.881 303 E CA -0.906 55.554 56.400 0.100 0.000 0.766 303 E CB 2.094 31.774 29.700 -0.034 0.000 1.187 303 E HN 0.480 nan 8.360 nan 0.000 0.419 304 L N 4.098 125.438 121.223 0.195 0.000 2.543 304 L HA -0.056 4.288 4.340 0.006 0.000 0.285 304 L C 0.058 176.900 176.870 -0.046 0.000 1.236 304 L CA 1.087 55.902 54.840 -0.042 0.000 0.871 304 L CB 0.264 42.314 42.059 -0.015 0.000 1.121 304 L HN 0.775 nan 8.230 nan 0.000 0.501 305 L N 3.330 124.469 121.223 -0.140 0.000 2.653 305 L HA 0.449 4.793 4.340 0.006 0.000 0.230 305 L C 1.074 177.965 176.870 0.035 0.000 1.055 305 L CA 0.504 55.359 54.840 0.025 0.000 0.880 305 L CB 0.320 42.366 42.059 -0.022 0.000 1.195 305 L HN 0.917 nan 8.230 nan 0.000 0.492 306 G N 0.339 109.074 108.800 -0.108 0.000 2.480 306 G HA2 0.003 3.967 3.960 0.006 0.000 0.109 306 G HA3 0.003 3.967 3.960 0.006 0.000 0.109 306 G C -1.479 173.347 174.900 -0.124 0.000 1.172 306 G CA -0.388 44.661 45.100 -0.084 0.000 1.091 306 G HN 0.018 nan 8.290 nan 0.000 0.464 307 E N 0.194 120.347 120.200 -0.079 0.000 2.287 307 E HA 0.590 4.944 4.350 0.006 0.000 0.274 307 E C -0.136 176.434 176.600 -0.050 0.000 0.896 307 E CA -0.100 56.260 56.400 -0.067 0.000 0.788 307 E CB 1.649 31.322 29.700 -0.045 0.000 1.244 307 E HN 0.848 nan 8.360 nan 0.000 0.408 308 T N 0.389 114.913 114.554 -0.050 0.000 2.841 308 T HA 0.568 4.922 4.350 0.006 0.000 0.276 308 T C 0.336 175.012 174.700 -0.039 0.000 1.003 308 T CA -0.790 61.281 62.100 -0.049 0.000 0.995 308 T CB 1.254 70.088 68.868 -0.056 0.000 1.260 308 T HN 0.255 nan 8.240 nan 0.000 0.581 309 S N 0.439 116.109 115.700 -0.050 0.000 2.596 309 S HA 0.329 4.802 4.470 0.006 0.000 0.260 309 S C 0.642 175.228 174.600 -0.023 0.000 1.336 309 S CA -0.760 57.418 58.200 -0.037 0.000 0.993 309 S CB -0.143 63.025 63.200 -0.054 0.000 0.923 309 S HN 0.548 nan 8.310 nan 0.000 0.567 310 I N 1.857 122.428 120.570 0.002 0.000 2.662 310 I HA 0.088 4.262 4.170 0.006 0.000 0.285 310 I C 0.653 176.769 176.117 -0.000 0.000 1.161 310 I CA 0.045 61.357 61.300 0.019 0.000 1.415 310 I CB -1.092 36.946 38.000 0.064 0.000 1.385 310 I HN 0.534 nan 8.210 nan 0.000 0.552 311 A N 6.912 129.731 122.820 -0.001 0.000 2.274 311 A HA 0.350 4.673 4.320 0.006 0.000 0.309 311 A C 0.948 178.535 177.584 0.005 0.000 1.226 311 A CA -0.536 51.492 52.037 -0.014 0.000 0.853 311 A CB 1.170 20.162 19.000 -0.014 0.000 1.146 311 A HN 0.799 nan 8.150 nan 0.000 0.518 312 E N 0.905 121.105 120.200 -0.001 0.000 2.057 312 E HA 0.002 4.356 4.350 0.006 0.000 0.191 312 E C 0.139 176.742 176.600 0.004 0.000 0.959 312 E CA 0.810 57.214 56.400 0.007 0.000 0.828 312 E CB 0.277 29.981 29.700 0.006 0.000 0.800 312 E HN 0.676 nan 8.360 nan 0.000 0.460 313 c N 1.191 119.797 118.600 0.011 0.000 2.376 313 c HA 0.665 5.238 4.570 0.006 0.000 0.335 313 c C -0.996 173.115 174.090 0.035 0.000 1.229 313 c CA -0.607 55.741 56.329 0.033 0.000 1.867 313 c CB 0.190 42.748 42.510 0.080 0.000 2.319 313 c HN 0.286 nan 8.230 nan 0.000 0.515 314 L N 4.570 125.827 121.223 0.056 0.000 2.562 314 L HA 0.570 4.914 4.340 0.006 0.000 0.266 314 L C -0.625 176.312 176.870 0.112 0.000 0.949 314 L CA 0.349 55.227 54.840 0.064 0.000 0.879 314 L CB 2.158 44.248 42.059 0.051 0.000 1.278 314 L HN 0.811 nan 8.230 nan 0.000 0.404 315 T N 3.767 118.414 114.554 0.155 0.000 3.186 315 T HA 0.243 4.596 4.350 0.006 0.000 0.320 315 T C -0.983 173.815 174.700 0.164 0.000 0.955 315 T CA -0.367 61.832 62.100 0.164 0.000 1.030 315 T CB 0.410 69.369 68.868 0.152 0.000 1.013 315 T HN 0.336 nan 8.240 nan 0.000 0.454 316 Y N 4.514 124.852 120.300 0.062 0.000 2.702 316 Y HA 0.357 4.911 4.550 0.006 0.000 0.336 316 Y C -0.011 175.911 175.900 0.036 0.000 1.235 316 Y CA 0.268 58.395 58.100 0.044 0.000 1.492 316 Y CB 0.270 38.743 38.460 0.021 0.000 1.308 316 Y HN 0.611 nan 8.280 nan 0.000 0.589 317 L N 1.667 122.421 121.223 -0.782 0.000 2.879 317 L HA 0.390 4.734 4.340 0.006 0.000 0.223 317 L C 0.191 176.668 176.870 -0.655 0.000 1.917 317 L CA -1.065 53.475 54.840 -0.500 0.000 2.640 317 L CB -0.400 41.497 42.059 -0.270 0.000 2.523 317 L HN 0.353 nan 8.230 nan 0.000 0.644 318 D N 0.757 120.936 120.400 -0.369 0.000 2.312 318 D HA 0.024 4.668 4.640 0.006 0.000 0.244 318 D C -0.322 175.816 176.300 -0.271 0.000 1.328 318 D CA 0.026 53.892 54.000 -0.223 0.000 0.965 318 D CB 0.125 40.864 40.800 -0.103 0.000 1.140 318 D HN 0.266 nan 8.370 nan 0.000 0.523 319 N N 0.559 119.234 118.700 -0.041 0.000 2.332 319 N HA 0.042 4.786 4.740 0.006 0.000 0.274 319 N C 1.137 176.689 175.510 0.071 0.000 1.351 319 N CA 0.933 54.032 53.050 0.082 0.000 0.875 319 N CB 0.281 38.811 38.487 0.072 0.000 1.140 319 N HN 0.623 nan 8.380 nan 0.000 0.489 320 G N 0.820 109.766 108.800 0.243 0.000 2.205 320 G HA2 -0.323 3.641 3.960 0.006 0.000 0.269 320 G HA3 -0.323 3.641 3.960 0.006 0.000 0.269 320 G C 0.247 175.215 174.900 0.114 0.000 0.977 320 G CA 0.663 45.916 45.100 0.254 0.000 0.652 320 G HN 0.488 nan 8.290 nan 0.000 0.539 321 V N -0.072 119.796 119.914 -0.077 0.000 2.785 321 V HA 0.682 4.806 4.120 0.006 0.000 0.300 321 V C 0.515 176.515 176.094 -0.157 0.000 1.062 321 V CA -0.583 61.658 62.300 -0.098 0.000 1.029 321 V CB 1.900 33.663 31.823 -0.101 0.000 1.024 321 V HN 0.364 nan 8.190 nan 0.000 0.477 322 V N 3.666 123.565 119.914 -0.024 0.000 2.655 322 V HA 0.330 4.454 4.120 0.006 0.000 0.301 322 V C -0.813 175.326 176.094 0.076 0.000 1.082 322 V CA -0.474 61.848 62.300 0.037 0.000 0.899 322 V CB 1.724 33.600 31.823 0.088 0.000 1.014 322 V HN 0.715 nan 8.190 nan 0.000 0.429 323 F N 5.758 125.690 119.950 -0.030 0.000 2.412 323 F HA 0.674 5.204 4.527 0.006 0.000 0.348 323 F C -0.137 175.668 175.800 0.009 0.000 1.102 323 F CA -0.132 57.860 58.000 -0.013 0.000 1.196 323 F CB 1.290 40.250 39.000 -0.067 0.000 1.144 323 F HN 0.249 nan 8.300 nan 0.000 0.541 324 V N 6.124 125.473 119.914 -0.941 0.000 2.357 324 V HA 0.418 4.542 4.120 0.006 0.000 0.281 324 V C 0.327 175.913 176.094 -0.847 0.000 1.015 324 V CA -0.699 61.246 62.300 -0.592 0.000 0.827 324 V CB 0.992 32.635 31.823 -0.300 0.000 1.018 324 V HN 1.026 nan 8.190 nan 0.000 0.432 325 G N 2.461 110.955 108.800 -0.509 0.000 2.370 325 G HA2 0.483 4.447 3.960 0.006 0.000 0.272 325 G HA3 0.483 4.447 3.960 0.006 0.000 0.272 325 G C -0.220 174.618 174.900 -0.103 0.000 1.208 325 G CA -0.115 44.862 45.100 -0.205 0.000 0.856 325 G HN 0.657 nan 8.290 nan 0.000 0.500 326 S N 0.972 116.631 115.700 -0.068 0.000 2.557 326 S HA 0.433 4.907 4.470 0.006 0.000 0.291 326 S C 1.136 175.729 174.600 -0.012 0.000 1.116 326 S CA -0.889 57.289 58.200 -0.038 0.000 0.992 326 S CB 1.158 64.329 63.200 -0.049 0.000 1.028 326 S HN 0.706 nan 8.310 nan 0.000 0.484 327 R N 3.644 124.140 120.500 -0.006 0.000 2.175 327 R HA 0.324 4.667 4.340 0.006 0.000 0.202 327 R C 1.578 177.867 176.300 -0.018 0.000 1.018 327 R CA 0.288 56.382 56.100 -0.010 0.000 1.029 327 R CB -0.412 29.881 30.300 -0.012 0.000 0.959 327 R HN 0.516 nan 8.270 nan 0.000 0.480 328 L N 0.868 122.087 121.223 -0.007 0.000 2.362 328 L HA 0.095 4.439 4.340 0.006 0.000 0.219 328 L C 1.060 177.904 176.870 -0.044 0.000 1.134 328 L CA 0.868 55.697 54.840 -0.018 0.000 0.807 328 L CB -0.151 41.933 42.059 0.042 0.000 0.927 328 L HN 0.434 nan 8.230 nan 0.000 0.447 329 G N -2.073 106.706 108.800 -0.036 0.000 2.578 329 G HA2 0.163 4.127 3.960 0.006 0.000 0.302 329 G HA3 0.163 4.127 3.960 0.006 0.000 0.302 329 G C -1.777 173.100 174.900 -0.039 0.000 1.243 329 G CA -0.647 44.421 45.100 -0.053 0.000 0.843 329 G HN -0.201 nan 8.290 nan 0.000 0.486 330 D N 1.215 121.588 120.400 -0.045 0.000 2.417 330 D HA 0.466 5.110 4.640 0.006 0.000 0.250 330 D C 0.601 176.896 176.300 -0.008 0.000 1.166 330 D CA 0.487 54.475 54.000 -0.020 0.000 0.881 330 D CB 1.201 41.977 40.800 -0.041 0.000 1.164 330 D HN 0.223 nan 8.370 nan 0.000 0.467 331 S N 1.828 117.560 115.700 0.053 0.000 2.585 331 S HA 0.292 4.765 4.470 0.006 0.000 0.273 331 S C 0.185 174.886 174.600 0.168 0.000 1.339 331 S CA -0.546 57.676 58.200 0.038 0.000 1.028 331 S CB 0.692 63.940 63.200 0.080 0.000 0.906 331 S HN 0.490 nan 8.310 nan 0.000 0.528 332 Q N 0.953 120.741 119.800 -0.020 0.000 2.511 332 Q HA 0.654 4.997 4.340 0.006 0.000 0.289 332 Q C -2.003 173.979 176.000 -0.030 0.000 1.021 332 Q CA -1.061 54.707 55.803 -0.059 0.000 0.785 332 Q CB 0.942 29.596 28.738 -0.139 0.000 1.472 332 Q HN 0.413 nan 8.270 nan 0.000 0.411 333 L N 1.503 122.721 121.223 -0.008 0.000 2.307 333 L HA 0.714 5.057 4.340 0.006 0.000 0.284 333 L C -1.354 175.506 176.870 -0.017 0.000 1.023 333 L CA -0.707 54.182 54.840 0.082 0.000 0.810 333 L CB 1.861 44.013 42.059 0.154 0.000 1.231 333 L HN 0.665 nan 8.230 nan 0.000 0.423 334 V N 4.112 124.026 119.914 0.000 0.000 2.808 334 V HA 0.470 4.594 4.120 0.006 0.000 0.308 334 V C -0.755 175.346 176.094 0.010 0.000 1.099 334 V CA -0.951 61.343 62.300 -0.011 0.000 0.920 334 V CB 2.298 34.107 31.823 -0.024 0.000 1.014 334 V HN 0.730 nan 8.190 nan 0.000 0.425 335 K N 4.925 125.332 120.400 0.012 0.000 2.240 335 K HA 0.663 4.987 4.320 0.006 0.000 0.271 335 K C -1.120 175.511 176.600 0.052 0.000 1.018 335 K CA -0.237 56.068 56.287 0.030 0.000 0.874 335 K CB 0.941 33.453 32.500 0.021 0.000 1.098 335 K HN 0.591 nan 8.250 nan 0.000 0.458 336 L N 4.286 125.559 121.223 0.083 0.000 2.276 336 L HA 0.406 4.750 4.340 0.006 0.000 0.286 336 L C -0.135 176.797 176.870 0.103 0.000 1.061 336 L CA -0.598 54.303 54.840 0.102 0.000 0.807 336 L CB 1.149 43.278 42.059 0.117 0.000 1.177 336 L HN 0.718 nan 8.230 nan 0.000 0.429 337 N N 0.568 119.338 118.700 0.117 0.000 2.432 337 N HA 0.344 5.088 4.740 0.006 0.000 0.292 337 N C 0.771 176.377 175.510 0.161 0.000 1.193 337 N CA -0.899 52.218 53.050 0.111 0.000 0.878 337 N CB 2.235 40.772 38.487 0.082 0.000 1.252 337 N HN 0.273 nan 8.380 nan 0.000 0.520 338 V N -0.799 119.191 119.914 0.127 0.000 2.667 338 V HA -0.072 4.052 4.120 0.006 0.000 0.252 338 V C -0.107 176.134 176.094 0.245 0.000 1.065 338 V CA 1.446 63.827 62.300 0.135 0.000 1.083 338 V CB -0.686 31.184 31.823 0.079 0.000 0.692 338 V HN 0.625 nan 8.190 nan 0.000 0.468 339 D N -0.067 120.451 120.400 0.196 0.000 2.269 339 D HA 0.489 5.132 4.640 0.006 0.000 0.244 339 D C -0.024 176.233 176.300 -0.073 0.000 0.992 339 D CA -0.130 53.946 54.000 0.126 0.000 0.894 339 D CB 1.694 42.516 40.800 0.038 0.000 1.248 339 D HN 0.291 nan 8.370 nan 0.000 0.468 340 S N 0.718 116.154 115.700 -0.440 0.000 2.457 340 S HA 0.328 4.801 4.470 0.006 0.000 0.289 340 S C 0.716 175.124 174.600 -0.320 0.000 1.163 340 S CA -0.865 56.910 58.200 -0.710 0.000 1.078 340 S CB 0.934 63.369 63.200 -1.276 0.000 0.987 340 S HN 0.435 nan 8.310 nan 0.000 0.482 341 N N 2.986 121.554 118.700 -0.220 0.000 2.128 341 N HA -0.063 4.681 4.740 0.006 0.000 0.242 341 N C -0.396 175.040 175.510 -0.124 0.000 1.256 341 N CA 0.373 53.345 53.050 -0.130 0.000 0.933 341 N CB -0.689 37.744 38.487 -0.090 0.000 0.992 341 N HN 0.656 nan 8.380 nan 0.000 0.405 342 E N 0.171 120.317 120.200 -0.091 0.000 2.089 342 E HA 0.063 4.417 4.350 0.006 0.000 0.284 342 E C -0.142 176.410 176.600 -0.079 0.000 1.023 342 E CA 0.068 56.423 56.400 -0.075 0.000 0.819 342 E CB 0.695 30.363 29.700 -0.054 0.000 1.076 342 E HN 0.682 nan 8.360 nan 0.000 0.396 343 Q N 2.083 121.833 119.800 -0.083 0.000 2.474 343 Q HA -0.135 4.209 4.340 0.006 0.000 0.166 343 Q C 0.299 176.243 176.000 -0.093 0.000 0.582 343 Q CA 0.688 56.447 55.803 -0.073 0.000 1.333 343 Q CB -1.317 27.385 28.738 -0.060 0.000 0.943 343 Q HN 0.908 nan 8.270 nan 0.000 1.092 344 G N 0.627 109.335 108.800 -0.153 0.000 2.326 344 G HA2 -0.237 3.727 3.960 0.006 0.000 0.286 344 G HA3 -0.237 3.727 3.960 0.006 0.000 0.286 344 G C -0.357 174.406 174.900 -0.229 0.000 1.096 344 G CA 0.693 45.656 45.100 -0.227 0.000 1.003 344 G HN 0.730 nan 8.290 nan 0.000 0.503 345 S N -0.018 115.528 115.700 -0.257 0.000 2.406 345 S HA 0.527 5.000 4.470 0.006 0.000 0.224 345 S C 1.154 175.670 174.600 -0.140 0.000 1.426 345 S CA -0.615 57.503 58.200 -0.136 0.000 1.179 345 S CB 0.088 63.239 63.200 -0.081 0.000 1.042 345 S HN 0.381 nan 8.310 nan 0.000 0.479 346 Y N 2.203 122.486 120.300 -0.029 0.000 2.797 346 Y HA 0.057 4.611 4.550 0.006 0.000 0.307 346 Y C 0.711 176.601 175.900 -0.016 0.000 1.168 346 Y CA 0.135 58.225 58.100 -0.018 0.000 1.388 346 Y CB -0.297 38.154 38.460 -0.014 0.000 0.985 346 Y HN 0.328 nan 8.280 nan 0.000 0.545 347 V N 0.475 120.433 119.914 0.072 0.000 2.495 347 V HA 0.462 4.586 4.120 0.006 0.000 0.298 347 V C -0.363 175.733 176.094 0.005 0.000 1.031 347 V CA -1.065 61.258 62.300 0.039 0.000 0.871 347 V CB 2.002 33.834 31.823 0.015 0.000 0.988 347 V HN -0.187 nan 8.190 nan 0.000 0.432 348 V N 3.527 123.444 119.914 0.005 0.000 2.638 348 V HA 0.698 4.822 4.120 0.006 0.000 0.306 348 V C 0.268 176.350 176.094 -0.020 0.000 1.052 348 V CA -0.826 61.467 62.300 -0.012 0.000 0.885 348 V CB 2.001 33.818 31.823 -0.009 0.000 0.999 348 V HN 0.977 nan 8.190 nan 0.000 0.424 349 A N 4.994 127.793 122.820 -0.035 0.000 2.409 349 A HA 0.590 4.913 4.320 0.006 0.000 0.267 349 A C 0.661 178.210 177.584 -0.058 0.000 1.127 349 A CA -0.047 51.958 52.037 -0.054 0.000 0.795 349 A CB 0.359 19.318 19.000 -0.068 0.000 1.061 349 A HN 0.912 nan 8.150 nan 0.000 0.502 350 M N 1.087 120.648 119.600 -0.064 0.000 2.384 350 M HA 0.186 4.669 4.480 0.006 0.000 0.258 350 M C 1.134 177.365 176.300 -0.116 0.000 1.130 350 M CA 1.154 56.415 55.300 -0.064 0.000 1.187 350 M CB 0.080 32.658 32.600 -0.036 0.000 1.307 350 M HN 0.817 nan 8.290 nan 0.000 0.468 351 E N -0.867 119.220 120.200 -0.187 0.000 2.404 351 E HA 0.442 4.795 4.350 0.006 0.000 0.264 351 E C -1.218 175.051 176.600 -0.552 0.000 0.946 351 E CA -0.450 55.727 56.400 -0.371 0.000 0.806 351 E CB 2.488 31.917 29.700 -0.452 0.000 1.334 351 E HN -0.105 nan 8.360 nan 0.000 0.429 352 T N 1.370 115.439 114.554 -0.810 0.000 3.842 352 T HA 0.321 4.675 4.350 0.006 0.000 0.336 352 T C -1.650 172.724 174.700 -0.544 0.000 0.900 352 T CA -0.520 61.230 62.100 -0.584 0.000 1.022 352 T CB -0.084 68.619 68.868 -0.275 0.000 1.068 352 T HN 0.245 nan 8.240 nan 0.000 0.464 353 F N 2.582 122.516 119.950 -0.027 0.000 2.420 353 F HA 0.428 4.958 4.527 0.006 0.000 0.342 353 F C 1.385 177.168 175.800 -0.029 0.000 1.113 353 F CA -1.083 56.910 58.000 -0.011 0.000 1.059 353 F CB 1.085 40.101 39.000 0.026 0.000 1.128 353 F HN 0.354 nan 8.300 nan 0.000 0.475 354 T N 0.114 114.742 114.554 0.123 0.000 2.799 354 T HA 0.130 4.483 4.350 0.006 0.000 0.296 354 T C -0.316 174.404 174.700 0.034 0.000 0.947 354 T CA -0.655 61.463 62.100 0.030 0.000 1.141 354 T CB 0.360 69.222 68.868 -0.010 0.000 0.891 354 T HN 0.484 nan 8.240 nan 0.000 0.533 355 N N 3.274 121.976 118.700 0.002 0.000 2.524 355 N HA 0.216 4.959 4.740 0.006 0.000 0.261 355 N C 0.527 176.012 175.510 -0.042 0.000 0.998 355 N CA -1.049 51.996 53.050 -0.007 0.000 0.915 355 N CB 0.745 39.230 38.487 -0.002 0.000 1.187 355 N HN 0.633 nan 8.380 nan 0.000 0.507 356 L N 2.444 123.638 121.223 -0.048 0.000 2.700 356 L HA 0.173 4.516 4.340 0.006 0.000 0.240 356 L C 1.504 178.334 176.870 -0.067 0.000 1.162 356 L CA 0.380 55.179 54.840 -0.068 0.000 0.874 356 L CB -1.397 40.619 42.059 -0.073 0.000 1.001 356 L HN 0.796 nan 8.230 nan 0.000 0.447 357 G N 0.536 109.303 108.800 -0.055 0.000 2.641 357 G HA2 -0.261 3.702 3.960 0.006 0.000 0.254 357 G HA3 -0.261 3.702 3.960 0.006 0.000 0.254 357 G C -2.571 172.295 174.900 -0.057 0.000 1.315 357 G CA -0.812 44.252 45.100 -0.060 0.000 0.907 357 G HN 0.153 nan 8.290 nan 0.000 0.572 358 P HA 0.339 nan 4.420 nan 0.000 0.267 358 P C 0.140 177.400 177.300 -0.066 0.000 1.209 358 P CA 0.125 63.187 63.100 -0.063 0.000 0.763 358 P CB 0.263 31.910 31.700 -0.088 0.000 0.816 359 I N 4.153 124.696 120.570 -0.045 0.000 2.256 359 I HA 0.030 4.204 4.170 0.006 0.000 0.294 359 I C 1.529 177.626 176.117 -0.034 0.000 1.127 359 I CA -0.373 60.895 61.300 -0.052 0.000 1.247 359 I CB 0.693 38.664 38.000 -0.048 0.000 1.460 359 I HN 0.150 nan 8.210 nan 0.000 0.511 360 V N 4.151 124.037 119.914 -0.047 0.000 2.548 360 V HA -0.090 4.034 4.120 0.006 0.000 0.249 360 V C 0.560 176.649 176.094 -0.008 0.000 1.055 360 V CA 1.636 63.921 62.300 -0.025 0.000 1.065 360 V CB -0.436 31.357 31.823 -0.050 0.000 0.681 360 V HN 0.817 nan 8.190 nan 0.000 0.462 361 D N -1.803 118.578 120.400 -0.031 0.000 2.671 361 D HA 0.540 5.183 4.640 0.006 0.000 0.273 361 D C -0.772 175.496 176.300 -0.053 0.000 1.264 361 D CA -0.502 53.484 54.000 -0.024 0.000 0.788 361 D CB 1.682 42.475 40.800 -0.011 0.000 1.324 361 D HN 0.131 nan 8.370 nan 0.000 0.424 362 M N -0.304 119.269 119.600 -0.045 0.000 3.419 362 M HA 0.740 5.224 4.480 0.006 0.000 0.287 362 M C -1.480 174.790 176.300 -0.049 0.000 1.333 362 M CA -0.761 54.495 55.300 -0.073 0.000 0.843 362 M CB 2.025 34.582 32.600 -0.071 0.000 1.686 362 M HN 0.847 nan 8.290 nan 0.000 0.491 363 C N -0.667 118.595 119.300 -0.064 0.000 3.216 363 C HA 0.830 5.294 4.460 0.006 0.000 0.346 363 C C -1.170 173.813 174.990 -0.012 0.000 1.384 363 C CA -0.625 58.389 59.018 -0.007 0.000 1.208 363 C CB 0.976 28.735 27.740 0.032 0.000 1.483 363 C HN 0.949 nan 8.230 nan 0.000 0.453 364 V N 0.685 120.623 119.914 0.041 0.000 2.973 364 V HA 0.904 5.028 4.120 0.006 0.000 0.314 364 V C -0.266 175.855 176.094 0.045 0.000 1.066 364 V CA -0.292 62.031 62.300 0.038 0.000 1.021 364 V CB 1.639 33.499 31.823 0.061 0.000 1.076 364 V HN 1.050 nan 8.190 nan 0.000 0.462 365 V N 1.157 121.081 119.914 0.016 0.000 2.915 365 V HA 0.233 4.356 4.120 0.006 0.000 0.282 365 V C -1.035 175.044 176.094 -0.024 0.000 1.445 365 V CA -0.664 61.605 62.300 -0.051 0.000 0.953 365 V CB 2.037 33.751 31.823 -0.183 0.000 1.140 365 V HN 0.851 nan 8.190 nan 0.000 0.440 366 D N 3.784 124.182 120.400 -0.003 0.000 2.519 366 D HA 0.284 4.927 4.640 0.006 0.000 0.238 366 D C 1.731 178.038 176.300 0.012 0.000 1.192 366 D CA 0.102 54.116 54.000 0.023 0.000 0.835 366 D CB 0.205 41.035 40.800 0.050 0.000 0.975 366 D HN 0.504 nan 8.370 nan 0.000 0.490 367 L N 1.160 122.360 121.223 -0.038 0.000 2.854 367 L HA -0.353 3.991 4.340 0.006 0.000 0.240 367 L C 1.897 178.767 176.870 0.001 0.000 2.737 367 L CA 2.133 56.938 54.840 -0.059 0.000 0.824 367 L CB -1.088 40.970 42.059 -0.002 0.000 2.021 367 L HN 0.298 nan 8.230 nan 0.000 0.397 368 E N 2.343 122.568 120.200 0.042 0.000 2.401 368 E HA -0.144 4.210 4.350 0.006 0.000 0.203 368 E C 0.375 177.017 176.600 0.070 0.000 1.229 368 E CA 0.230 56.677 56.400 0.078 0.000 1.000 368 E CB -0.899 28.851 29.700 0.084 0.000 1.052 368 E HN 0.487 nan 8.360 nan 0.000 0.497 369 R N 0.892 121.431 120.500 0.065 0.000 2.291 369 R HA -0.281 4.063 4.340 0.006 0.000 0.225 369 R C -0.215 176.117 176.300 0.054 0.000 0.858 369 R CA 1.142 57.281 56.100 0.065 0.000 0.796 369 R CB -0.274 30.071 30.300 0.075 0.000 2.134 369 R HN 0.516 nan 8.270 nan 0.000 0.524 370 Q N 1.923 121.750 119.800 0.046 0.000 2.435 370 Q HA 0.304 4.648 4.340 0.006 0.000 0.180 370 Q C 1.295 177.314 176.000 0.031 0.000 0.699 370 Q CA 0.161 55.987 55.803 0.037 0.000 0.805 370 Q CB 0.653 29.412 28.738 0.034 0.000 1.157 370 Q HN 0.743 nan 8.270 nan 0.000 0.570 371 G N 0.388 109.205 108.800 0.029 0.000 4.142 371 G HA2 -0.064 3.900 3.960 0.006 0.000 0.200 371 G HA3 -0.064 3.900 3.960 0.006 0.000 0.200 371 G C -0.498 174.415 174.900 0.021 0.000 0.811 371 G CA -0.181 44.933 45.100 0.023 0.000 0.855 371 G HN 0.222 nan 8.290 nan 0.000 0.455 372 Q N 1.058 120.871 119.800 0.021 0.000 2.260 372 Q HA 0.663 5.007 4.340 0.006 0.000 0.238 372 Q C 0.386 176.403 176.000 0.028 0.000 0.948 372 Q CA -0.226 55.589 55.803 0.021 0.000 0.895 372 Q CB 1.125 29.873 28.738 0.017 0.000 1.218 372 Q HN 0.357 nan 8.270 nan 0.000 0.470 373 G N 1.195 110.012 108.800 0.029 0.000 2.367 373 G HA2 0.445 4.409 3.960 0.006 0.000 0.314 373 G HA3 0.445 4.409 3.960 0.006 0.000 0.314 373 G C -0.726 174.190 174.900 0.027 0.000 1.130 373 G CA -0.725 44.393 45.100 0.031 0.000 0.864 373 G HN 0.477 nan 8.290 nan 0.000 0.486 374 Q N -0.433 119.383 119.800 0.026 0.000 2.180 374 Q HA 0.534 4.878 4.340 0.006 0.000 0.241 374 Q C -1.130 174.871 176.000 0.002 0.000 0.970 374 Q CA -0.739 55.078 55.803 0.023 0.000 0.919 374 Q CB 2.551 31.314 28.738 0.041 0.000 1.222 374 Q HN 0.365 nan 8.270 nan 0.000 0.482 375 L N 0.357 121.566 121.223 -0.022 0.000 2.381 375 L HA 0.496 4.840 4.340 0.006 0.000 0.268 375 L C -1.491 175.318 176.870 -0.102 0.000 0.997 375 L CA -0.693 54.116 54.840 -0.053 0.000 0.818 375 L CB 2.261 44.287 42.059 -0.054 0.000 1.310 375 L HN 0.340 nan 8.230 nan 0.000 0.416 376 V N 1.720 121.545 119.914 -0.149 0.000 2.577 376 V HA 0.717 4.840 4.120 0.006 0.000 0.303 376 V C -0.385 175.569 176.094 -0.234 0.000 1.042 376 V CA -0.463 61.691 62.300 -0.242 0.000 0.872 376 V CB 1.674 33.244 31.823 -0.422 0.000 0.998 376 V HN 0.829 nan 8.190 nan 0.000 0.423 377 T N 0.249 114.675 114.554 -0.213 0.000 2.861 377 T HA 0.535 4.888 4.350 0.006 0.000 0.287 377 T C -0.316 174.284 174.700 -0.167 0.000 1.003 377 T CA -0.587 61.413 62.100 -0.166 0.000 0.977 377 T CB 1.245 70.030 68.868 -0.139 0.000 0.996 377 T HN 0.651 nan 8.240 nan 0.000 0.448 378 C N 3.255 122.471 119.300 -0.139 0.000 2.514 378 C HA 0.797 5.261 4.460 0.006 0.000 0.392 378 C C 0.607 175.523 174.990 -0.123 0.000 1.294 378 C CA -0.388 58.553 59.018 -0.130 0.000 1.957 378 C CB -0.674 27.001 27.740 -0.108 0.000 2.541 378 C HN 1.027 nan 8.230 nan 0.000 0.569 379 S N 0.944 116.562 115.700 -0.137 0.000 2.570 379 S HA 0.889 5.363 4.470 0.006 0.000 0.270 379 S C -0.003 174.505 174.600 -0.152 0.000 1.149 379 S CA 0.216 58.336 58.200 -0.134 0.000 0.837 379 S CB 1.488 64.611 63.200 -0.129 0.000 1.124 379 S HN 1.808 nan 8.310 nan 0.000 0.465 380 G N 0.420 109.133 108.800 -0.146 0.000 2.752 380 G HA2 0.382 4.345 3.960 0.006 0.000 0.234 380 G HA3 0.382 4.345 3.960 0.006 0.000 0.234 380 G C -0.339 174.413 174.900 -0.247 0.000 1.367 380 G CA -0.067 44.934 45.100 -0.164 0.000 0.879 380 G HN 1.845 nan 8.290 nan 0.000 0.563 381 A N -1.469 121.161 122.820 -0.317 0.000 2.606 381 A HA 1.043 5.367 4.320 0.006 0.000 0.293 381 A C 0.248 177.524 177.584 -0.513 0.000 1.082 381 A CA 0.437 52.067 52.037 -0.679 0.000 0.685 381 A CB 0.534 18.894 19.000 -1.067 0.000 1.284 381 A HN 2.355 nan 8.150 nan 0.000 0.408 382 F N 0.040 119.960 119.950 -0.050 0.000 2.142 382 F HA -0.417 4.114 4.527 0.006 0.000 0.309 382 F C 2.338 178.115 175.800 -0.038 0.000 0.130 382 F CA 1.458 59.436 58.000 -0.037 0.000 0.886 382 F CB -0.710 38.277 39.000 -0.022 0.000 4.010 382 F HN 0.818 nan 8.300 nan 0.000 0.212 383 K N 0.805 121.323 120.400 0.197 0.000 2.152 383 K HA -0.195 4.129 4.320 0.006 0.000 0.206 383 K C 1.165 177.746 176.600 -0.030 0.000 1.048 383 K CA 2.165 58.514 56.287 0.104 0.000 0.933 383 K CB -0.457 32.123 32.500 0.134 0.000 0.721 383 K HN 0.617 nan 8.250 nan 0.000 0.447 384 E N 1.374 121.567 120.200 -0.012 0.000 2.401 384 E HA -0.029 4.324 4.350 0.006 0.000 0.199 384 E C 1.152 177.656 176.600 -0.160 0.000 1.023 384 E CA 0.781 57.127 56.400 -0.090 0.000 0.859 384 E CB -0.612 29.059 29.700 -0.048 0.000 0.780 384 E HN 0.505 nan 8.360 nan 0.000 0.523 385 G N 1.121 109.824 108.800 -0.162 0.000 2.690 385 G HA2 0.220 4.184 3.960 0.006 0.000 0.239 385 G HA3 0.220 4.184 3.960 0.006 0.000 0.239 385 G C 0.124 174.894 174.900 -0.217 0.000 1.233 385 G CA 0.667 45.652 45.100 -0.191 0.000 0.847 385 G HN 0.277 nan 8.290 nan 0.000 0.588 386 S N -0.744 114.844 115.700 -0.187 0.000 2.707 386 S HA 0.392 4.865 4.470 0.006 0.000 0.268 386 S C -1.441 173.061 174.600 -0.163 0.000 1.004 386 S CA -0.965 57.122 58.200 -0.188 0.000 0.902 386 S CB 0.126 63.201 63.200 -0.209 0.000 1.157 386 S HN 0.874 nan 8.310 nan 0.000 0.468 387 L N 1.049 122.171 121.223 -0.168 0.000 2.354 387 L HA 0.774 5.118 4.340 0.006 0.000 0.269 387 L C -0.248 176.482 176.870 -0.234 0.000 1.005 387 L CA -1.040 53.684 54.840 -0.193 0.000 0.819 387 L CB 1.925 43.862 42.059 -0.202 0.000 1.311 387 L HN 0.631 nan 8.230 nan 0.000 0.423 388 R N 2.631 122.988 120.500 -0.238 0.000 2.561 388 R HA 0.610 4.954 4.340 0.006 0.000 0.297 388 R C -1.302 174.844 176.300 -0.257 0.000 0.969 388 R CA -0.841 55.116 56.100 -0.238 0.000 0.879 388 R CB 2.480 32.669 30.300 -0.186 0.000 1.178 388 R HN 0.410 nan 8.270 nan 0.000 0.445 389 I N 4.202 124.605 120.570 -0.280 0.000 2.359 389 I HA 0.404 4.577 4.170 0.006 0.000 0.294 389 I C 0.256 176.275 176.117 -0.164 0.000 0.987 389 I CA -0.371 60.793 61.300 -0.227 0.000 1.225 389 I CB 1.242 39.093 38.000 -0.249 0.000 1.366 389 I HN 0.349 nan 8.210 nan 0.000 0.466 390 I N 5.209 125.716 120.570 -0.105 0.000 2.466 390 I HA 0.578 4.752 4.170 0.006 0.000 0.289 390 I C -0.551 175.559 176.117 -0.013 0.000 1.026 390 I CA -0.713 60.540 61.300 -0.078 0.000 1.078 390 I CB 1.636 39.587 38.000 -0.082 0.000 1.249 390 I HN 0.591 nan 8.210 nan 0.000 0.429 391 R N 4.381 124.900 120.500 0.032 0.000 2.532 391 R HA 0.373 4.716 4.340 0.006 0.000 0.297 391 R C -1.187 175.151 176.300 0.064 0.000 0.984 391 R CA -0.629 55.513 56.100 0.069 0.000 0.884 391 R CB 2.146 32.527 30.300 0.135 0.000 1.182 391 R HN 0.797 nan 8.270 nan 0.000 0.442 392 N N 1.037 119.760 118.700 0.038 0.000 2.518 392 N HA 0.357 5.100 4.740 0.006 0.000 0.266 392 N C 0.040 175.562 175.510 0.021 0.000 1.196 392 N CA 1.907 54.972 53.050 0.025 0.000 0.947 392 N CB 0.724 39.217 38.487 0.008 0.000 1.098 392 N HN 0.840 nan 8.380 nan 0.000 0.450 393 G N 1.355 110.163 108.800 0.013 0.000 2.698 393 G HA2 -0.190 3.774 3.960 0.006 0.000 0.225 393 G HA3 -0.190 3.774 3.960 0.006 0.000 0.225 393 G C -0.863 174.041 174.900 0.007 0.000 1.345 393 G CA -0.511 44.587 45.100 -0.004 0.000 0.871 393 G HN 0.579 nan 8.290 nan 0.000 0.540 394 I N 1.358 121.917 120.570 -0.018 0.000 2.418 394 I HA 0.624 4.798 4.170 0.006 0.000 0.287 394 I C 0.949 177.031 176.117 -0.058 0.000 1.008 394 I CA -0.245 61.043 61.300 -0.020 0.000 1.104 394 I CB 1.705 39.711 38.000 0.010 0.000 1.264 394 I HN 0.899 nan 8.210 nan 0.000 0.438 395 G N 6.677 115.432 108.800 -0.074 0.000 2.509 395 G HA2 0.791 4.754 3.960 0.006 0.000 0.328 395 G HA3 0.791 4.754 3.960 0.006 0.000 0.328 395 G C -0.888 173.890 174.900 -0.202 0.000 1.194 395 G CA -0.433 44.611 45.100 -0.093 0.000 0.967 395 G HN 0.534 nan 8.290 nan 0.000 0.488 396 I N -1.347 119.078 120.570 -0.241 0.000 2.894 396 I HA 0.499 4.672 4.170 0.006 0.000 0.302 396 I C -1.554 174.341 176.117 -0.370 0.000 1.188 396 I CA -1.100 59.939 61.300 -0.435 0.000 1.014 396 I CB 2.084 39.922 38.000 -0.271 0.000 1.242 396 I HN 0.527 nan 8.210 nan 0.000 0.430 397 H N 4.637 123.674 119.070 -0.055 0.000 2.581 397 H HA 0.400 4.960 4.556 0.006 0.000 0.308 397 H C -0.611 174.642 175.328 -0.125 0.000 1.040 397 H CA -0.607 55.431 56.048 -0.017 0.000 1.231 397 H CB 0.659 30.473 29.762 0.085 0.000 1.396 397 H HN 0.612 nan 8.280 nan 0.000 0.467 398 E N 2.636 122.859 120.200 0.038 0.000 2.223 398 E HA 0.174 4.528 4.350 0.006 0.000 0.282 398 E C -0.316 176.373 176.600 0.148 0.000 1.046 398 E CA -0.375 56.004 56.400 -0.036 0.000 0.857 398 E CB 1.051 30.744 29.700 -0.012 0.000 1.055 398 E HN 0.699 nan 8.360 nan 0.000 0.409 399 H N 2.574 121.700 119.070 0.093 0.000 2.315 399 H HA 0.274 4.833 4.556 0.006 0.000 0.318 399 H C 0.545 175.967 175.328 0.158 0.000 1.068 399 H CA -0.022 56.139 56.048 0.188 0.000 1.465 399 H CB 0.301 30.323 29.762 0.433 0.000 1.475 399 H HN 0.621 nan 8.280 nan 0.000 0.597 400 A N 0.436 123.370 122.820 0.190 0.000 2.242 400 A HA 0.547 4.871 4.320 0.006 0.000 0.304 400 A C -0.182 177.414 177.584 0.020 0.000 1.100 400 A CA -0.263 51.830 52.037 0.094 0.000 0.860 400 A CB 0.971 19.975 19.000 0.006 0.000 1.168 400 A HN 0.263 nan 8.150 nan 0.000 0.503 401 S N -0.112 115.602 115.700 0.024 0.000 2.397 401 S HA 0.411 4.885 4.470 0.006 0.000 0.190 401 S C -1.489 173.121 174.600 0.016 0.000 1.100 401 S CA -0.377 57.829 58.200 0.010 0.000 1.150 401 S CB -0.476 62.737 63.200 0.022 0.000 1.302 401 S HN 0.468 nan 8.310 nan 0.000 0.417 402 I N 4.166 124.741 120.570 0.009 0.000 2.330 402 I HA 0.278 4.451 4.170 0.006 0.000 0.286 402 I C -0.546 175.591 176.117 0.033 0.000 1.025 402 I CA -0.627 60.688 61.300 0.025 0.000 1.197 402 I CB 1.223 39.240 38.000 0.028 0.000 1.358 402 I HN 0.408 nan 8.210 nan 0.000 0.467 403 D N 7.843 128.264 120.400 0.036 0.000 2.348 403 D HA 0.186 4.829 4.640 0.006 0.000 0.259 403 D C -0.410 175.928 176.300 0.063 0.000 1.296 403 D CA -0.033 53.989 54.000 0.037 0.000 0.931 403 D CB 0.409 41.226 40.800 0.029 0.000 1.067 403 D HN 0.331 nan 8.370 nan 0.000 0.503 404 L N 3.304 124.572 121.223 0.074 0.000 2.384 404 L HA 0.305 4.648 4.340 0.006 0.000 0.261 404 L C -2.264 174.622 176.870 0.026 0.000 1.024 404 L CA -2.031 52.889 54.840 0.134 0.000 0.899 404 L CB 1.809 44.044 42.059 0.294 0.000 1.243 404 L HN 0.041 nan 8.230 nan 0.000 0.449 405 P HA 0.065 nan 4.420 nan 0.000 0.245 405 P C 0.822 178.050 177.300 -0.120 0.000 1.670 405 P CA 0.500 63.580 63.100 -0.032 0.000 1.146 405 P CB 0.366 32.071 31.700 0.008 0.000 1.954 406 G N 0.863 109.499 108.800 -0.274 0.000 4.227 406 G HA2 -0.078 3.886 3.960 0.006 0.000 0.200 406 G HA3 -0.078 3.886 3.960 0.006 0.000 0.200 406 G C 0.025 174.557 174.900 -0.613 0.000 0.920 406 G CA -0.489 44.321 45.100 -0.483 0.000 0.953 406 G HN 0.283 nan 8.290 nan 0.000 0.323 407 I N 2.612 122.648 120.570 -0.890 0.000 3.467 407 I HA -0.167 4.007 4.170 0.006 0.000 0.340 407 I C 0.788 176.736 176.117 -0.282 0.000 1.165 407 I CA 0.754 61.716 61.300 -0.564 0.000 1.746 407 I CB 0.199 38.113 38.000 -0.144 0.000 1.220 407 I HN 0.095 nan 8.210 nan 0.000 0.433 408 K N 5.242 125.443 120.400 -0.333 0.000 2.440 408 K HA 0.395 4.719 4.320 0.006 0.000 0.206 408 K C 0.503 176.543 176.600 -0.934 0.000 1.025 408 K CA 0.079 56.126 56.287 -0.401 0.000 1.135 408 K CB 1.122 33.566 32.500 -0.093 0.000 0.856 408 K HN 0.902 nan 8.250 nan 0.000 0.502 409 G N 0.993 109.221 108.800 -0.954 0.000 2.338 409 G HA2 0.427 4.391 3.960 0.006 0.000 0.295 409 G HA3 0.427 4.391 3.960 0.006 0.000 0.295 409 G C -2.220 172.270 174.900 -0.684 0.000 1.461 409 G CA -0.963 43.502 45.100 -1.059 0.000 0.817 409 G HN 0.063 nan 8.290 nan 0.000 0.556 410 L N -3.758 116.837 121.223 -1.047 0.000 2.703 410 L HA 0.807 5.151 4.340 0.006 0.000 0.257 410 L C -1.355 175.049 176.870 -0.776 0.000 0.923 410 L CA -1.213 53.267 54.840 -0.600 0.000 0.936 410 L CB 1.013 42.941 42.059 -0.217 0.000 1.482 410 L HN 0.758 nan 8.230 nan 0.000 0.432 411 W N 0.477 121.680 121.300 -0.162 0.000 2.962 411 W HA 0.612 5.276 4.660 0.006 0.000 0.341 411 W C -2.356 174.048 176.519 -0.192 0.000 1.155 411 W CA -1.679 55.533 57.345 -0.221 0.000 1.165 411 W CB 1.995 31.245 29.460 -0.351 0.000 1.435 411 W HN 0.297 nan 8.180 nan 0.000 0.546 412 P HA 0.120 nan 4.420 nan 0.000 0.278 412 P C -0.921 176.361 177.300 -0.029 0.000 1.268 412 P CA 0.179 63.155 63.100 -0.208 0.000 0.813 412 P CB 0.442 31.819 31.700 -0.539 0.000 1.180 413 L N -1.644 119.622 121.223 0.072 0.000 4.490 413 L HA 0.171 4.515 4.340 0.006 0.000 0.260 413 L C -0.787 176.306 176.870 0.371 0.000 1.063 413 L CA -0.144 54.851 54.840 0.258 0.000 1.242 413 L CB 0.371 42.487 42.059 0.095 0.000 1.990 413 L HN 0.368 nan 8.230 nan 0.000 0.614 414 R N 1.691 122.414 120.500 0.371 0.000 2.457 414 R HA 0.750 5.093 4.340 0.006 0.000 0.284 414 R C 0.148 176.462 176.300 0.023 0.000 1.024 414 R CA -0.435 55.700 56.100 0.059 0.000 1.025 414 R CB 1.452 31.612 30.300 -0.234 0.000 1.063 414 R HN 0.427 nan 8.270 nan 0.000 0.493 415 S N -0.096 115.598 115.700 -0.009 0.000 2.602 415 S HA 0.109 4.582 4.470 0.006 0.000 0.240 415 S C -0.984 173.600 174.600 -0.027 0.000 0.992 415 S CA -0.284 57.904 58.200 -0.021 0.000 0.971 415 S CB 0.003 63.188 63.200 -0.024 0.000 0.855 415 S HN 0.641 nan 8.310 nan 0.000 0.481 416 D N 0.742 121.118 120.400 -0.040 0.000 2.736 416 D HA 0.360 5.004 4.640 0.006 0.000 0.243 416 D C -2.273 173.996 176.300 -0.052 0.000 1.304 416 D CA -1.725 52.251 54.000 -0.040 0.000 0.934 416 D CB 2.107 42.882 40.800 -0.041 0.000 1.382 416 D HN -0.135 nan 8.370 nan 0.000 0.571 417 P HA -0.106 nan 4.420 nan 0.000 0.222 417 P C 0.792 178.068 177.300 -0.039 0.000 1.142 417 P CA 0.873 63.957 63.100 -0.027 0.000 0.788 417 P CB 0.487 32.181 31.700 -0.010 0.000 0.767 418 N N 0.199 118.873 118.700 -0.044 0.000 2.143 418 N HA -0.028 4.716 4.740 0.006 0.000 0.190 418 N C 0.726 176.198 175.510 -0.064 0.000 1.058 418 N CA 0.509 53.534 53.050 -0.043 0.000 0.860 418 N CB -0.814 37.654 38.487 -0.033 0.000 1.044 418 N HN 0.209 nan 8.380 nan 0.000 0.445 419 R N 2.021 122.474 120.500 -0.077 0.000 2.583 419 R HA 0.044 4.388 4.340 0.006 0.000 0.274 419 R C 0.274 176.475 176.300 -0.164 0.000 0.998 419 R CA 0.150 56.192 56.100 -0.096 0.000 1.081 419 R CB 0.347 30.596 30.300 -0.086 0.000 0.940 419 R HN 0.175 nan 8.270 nan 0.000 0.413 420 E N 1.069 121.189 120.200 -0.132 0.000 2.515 420 E HA -0.067 4.286 4.350 0.006 0.000 0.201 420 E C 0.501 176.923 176.600 -0.297 0.000 1.071 420 E CA 0.922 57.223 56.400 -0.164 0.000 0.880 420 E CB -0.148 29.528 29.700 -0.040 0.000 0.828 420 E HN 0.780 nan 8.360 nan 0.000 0.540 421 T N -1.810 112.581 114.554 -0.271 0.000 2.934 421 T HA 0.482 4.836 4.350 0.006 0.000 0.283 421 T C -0.152 174.319 174.700 -0.382 0.000 1.005 421 T CA -0.692 61.292 62.100 -0.193 0.000 1.041 421 T CB 1.002 69.858 68.868 -0.021 0.000 1.042 421 T HN -0.150 nan 8.240 nan 0.000 0.505 422 Y N 0.199 120.523 120.300 0.039 0.000 2.587 422 Y HA 0.533 5.087 4.550 0.006 0.000 0.337 422 Y C 0.936 176.858 175.900 0.036 0.000 1.065 422 Y CA -0.976 57.144 58.100 0.033 0.000 1.126 422 Y CB 1.679 40.160 38.460 0.034 0.000 1.279 422 Y HN 0.844 nan 8.280 nan 0.000 0.489 423 D N -2.249 118.256 120.400 0.175 0.000 2.497 423 D HA 0.094 4.738 4.640 0.006 0.000 0.256 423 D C -0.484 175.863 176.300 0.079 0.000 1.273 423 D CA 0.214 54.278 54.000 0.107 0.000 0.812 423 D CB 0.216 41.051 40.800 0.058 0.000 1.190 423 D HN 0.440 nan 8.370 nan 0.000 0.524 424 T N 0.849 115.450 114.554 0.080 0.000 2.908 424 T HA 0.602 4.956 4.350 0.006 0.000 0.290 424 T C -1.062 173.664 174.700 0.044 0.000 1.034 424 T CA -0.590 61.533 62.100 0.038 0.000 1.010 424 T CB 2.424 71.288 68.868 -0.006 0.000 1.068 424 T HN 0.018 nan 8.240 nan 0.000 0.481 425 L N 3.062 124.301 121.223 0.027 0.000 2.388 425 L HA 0.539 4.883 4.340 0.006 0.000 0.267 425 L C -0.867 176.037 176.870 0.057 0.000 0.995 425 L CA -0.504 54.355 54.840 0.033 0.000 0.864 425 L CB 1.102 43.164 42.059 0.005 0.000 1.216 425 L HN 0.478 nan 8.230 nan 0.000 0.430 426 V N 5.231 125.206 119.914 0.100 0.000 2.649 426 V HA 0.442 4.565 4.120 0.006 0.000 0.292 426 V C -0.372 175.882 176.094 0.265 0.000 1.055 426 V CA -0.526 61.862 62.300 0.147 0.000 1.023 426 V CB 1.250 33.165 31.823 0.152 0.000 0.992 426 V HN 0.576 nan 8.190 nan 0.000 0.480 427 L N 2.156 123.532 121.223 0.255 0.000 2.482 427 L HA 0.609 4.952 4.340 0.006 0.000 0.269 427 L C -0.123 176.980 176.870 0.388 0.000 0.967 427 L CA -0.447 54.579 54.840 0.310 0.000 0.851 427 L CB 1.215 43.428 42.059 0.256 0.000 1.242 427 L HN 0.429 nan 8.230 nan 0.000 0.404 428 S N 2.072 118.044 115.700 0.452 0.000 2.558 428 S HA 0.587 5.061 4.470 0.006 0.000 0.287 428 S C -0.520 174.296 174.600 0.359 0.000 1.321 428 S CA 0.519 58.944 58.200 0.374 0.000 1.048 428 S CB 0.058 63.488 63.200 0.383 0.000 0.844 428 S HN 0.505 nan 8.310 nan 0.000 0.512 429 F N 1.267 121.268 119.950 0.084 0.000 2.754 429 F HA 0.359 4.890 4.527 0.006 0.000 0.320 429 F C -0.124 175.718 175.800 0.070 0.000 1.156 429 F CA -1.158 56.876 58.000 0.057 0.000 0.950 429 F CB 1.237 40.266 39.000 0.049 0.000 1.388 429 F HN 0.260 nan 8.300 nan 0.000 0.485 430 V N 2.635 122.633 119.914 0.139 0.000 1.979 430 V HA 0.146 4.270 4.120 0.006 0.000 0.232 430 V C 0.874 177.057 176.094 0.149 0.000 1.697 430 V CA 1.057 63.420 62.300 0.106 0.000 1.642 430 V CB -1.655 30.216 31.823 0.079 0.000 1.572 430 V HN 1.105 nan 8.190 nan 0.000 0.492 431 G N 1.760 110.650 108.800 0.149 0.000 2.176 431 G HA2 -0.241 3.723 3.960 0.006 0.000 0.252 431 G HA3 -0.241 3.723 3.960 0.006 0.000 0.252 431 G C -0.047 174.917 174.900 0.108 0.000 1.024 431 G CA 0.668 45.839 45.100 0.117 0.000 0.755 431 G HN 0.652 nan 8.290 nan 0.000 0.507 432 Q N -1.791 118.103 119.800 0.157 0.000 3.093 432 Q HA 0.814 5.158 4.340 0.006 0.000 0.330 432 Q C -0.864 175.207 176.000 0.119 0.000 0.947 432 Q CA -0.768 55.103 55.803 0.113 0.000 0.801 432 Q CB 1.775 30.578 28.738 0.107 0.000 1.470 432 Q HN 0.190 nan 8.270 nan 0.000 0.498 433 T N 0.856 115.436 114.554 0.043 0.000 3.295 433 T HA 0.414 4.768 4.350 0.006 0.000 0.331 433 T C -1.230 173.424 174.700 -0.076 0.000 1.142 433 T CA -0.782 61.335 62.100 0.029 0.000 1.078 433 T CB 1.175 70.079 68.868 0.060 0.000 1.150 433 T HN 0.254 nan 8.240 nan 0.000 0.465 434 R N 1.366 121.754 120.500 -0.186 0.000 2.782 434 R HA 0.907 5.250 4.340 0.006 0.000 0.258 434 R C -0.611 175.634 176.300 -0.091 0.000 1.055 434 R CA -0.718 55.259 56.100 -0.206 0.000 1.065 434 R CB 1.622 31.677 30.300 -0.409 0.000 1.172 434 R HN 0.434 nan 8.270 nan 0.000 0.510 435 V N 0.729 120.597 119.914 -0.077 0.000 3.074 435 V HA 0.553 4.677 4.120 0.006 0.000 0.314 435 V C -0.351 175.716 176.094 -0.044 0.000 1.117 435 V CA -0.936 61.339 62.300 -0.042 0.000 1.014 435 V CB 2.439 34.232 31.823 -0.050 0.000 1.057 435 V HN 0.495 nan 8.190 nan 0.000 0.438 436 L N 2.709 123.917 121.223 -0.024 0.000 2.514 436 L HA 0.404 4.748 4.340 0.006 0.000 0.257 436 L C -0.331 176.539 176.870 -0.000 0.000 1.101 436 L CA -0.053 54.780 54.840 -0.012 0.000 0.911 436 L CB 1.271 43.329 42.059 -0.002 0.000 1.162 436 L HN 0.557 nan 8.230 nan 0.000 0.477 437 M N 2.880 122.476 119.600 -0.007 0.000 2.248 437 M HA 0.331 4.814 4.480 0.006 0.000 0.337 437 M C -0.533 175.781 176.300 0.023 0.000 1.121 437 M CA 0.336 55.637 55.300 0.002 0.000 1.155 437 M CB 0.880 33.473 32.600 -0.011 0.000 1.514 437 M HN 0.342 nan 8.290 nan 0.000 0.452 438 L N 1.823 123.068 121.223 0.036 0.000 2.408 438 L HA 0.343 4.687 4.340 0.006 0.000 0.268 438 L C 0.723 177.618 176.870 0.042 0.000 0.986 438 L CA -0.333 54.540 54.840 0.056 0.000 0.820 438 L CB 1.669 43.786 42.059 0.097 0.000 1.303 438 L HN 0.663 nan 8.230 nan 0.000 0.411 439 N N 1.134 119.855 118.700 0.036 0.000 2.627 439 N HA 0.043 4.787 4.740 0.006 0.000 0.196 439 N C 1.007 176.528 175.510 0.018 0.000 1.268 439 N CA 0.912 53.975 53.050 0.021 0.000 0.904 439 N CB 0.264 38.759 38.487 0.014 0.000 1.016 439 N HN 0.937 nan 8.380 nan 0.000 0.448 440 G N 1.145 109.968 108.800 0.039 0.000 3.178 440 G HA2 -0.279 3.684 3.960 0.006 0.000 0.200 440 G HA3 -0.279 3.684 3.960 0.006 0.000 0.200 440 G C 0.612 175.543 174.900 0.051 0.000 1.831 440 G CA 0.202 45.323 45.100 0.034 0.000 1.470 440 G HN 0.493 nan 8.290 nan 0.000 0.591 441 E N 1.192 121.379 120.200 -0.022 0.000 2.498 441 E HA 0.462 4.816 4.350 0.006 0.000 0.203 441 E C 0.699 177.368 176.600 0.115 0.000 1.013 441 E CA 0.489 56.819 56.400 -0.117 0.000 0.927 441 E CB 0.565 30.043 29.700 -0.371 0.000 1.012 441 E HN 0.534 nan 8.360 nan 0.000 0.482 442 E N 0.939 121.196 120.200 0.096 0.000 2.204 442 E HA 0.315 4.669 4.350 0.006 0.000 0.276 442 E C -0.886 175.777 176.600 0.104 0.000 0.974 442 E CA -0.886 55.571 56.400 0.096 0.000 0.815 442 E CB 1.735 31.462 29.700 0.045 0.000 1.119 442 E HN -0.018 nan 8.360 nan 0.000 0.393 443 V N 3.953 123.923 119.914 0.093 0.000 2.530 443 V HA 0.226 4.350 4.120 0.006 0.000 0.282 443 V C 0.116 176.233 176.094 0.039 0.000 1.048 443 V CA 0.341 62.680 62.300 0.066 0.000 0.997 443 V CB 1.075 32.933 31.823 0.058 0.000 0.987 443 V HN 0.664 nan 8.190 nan 0.000 0.477 444 E N 3.766 123.982 120.200 0.027 0.000 2.388 444 E HA 0.320 4.674 4.350 0.006 0.000 0.289 444 E C -1.371 175.227 176.600 -0.002 0.000 0.944 444 E CA -0.610 55.797 56.400 0.011 0.000 0.792 444 E CB 2.121 31.828 29.700 0.012 0.000 1.239 444 E HN 0.910 nan 8.360 nan 0.000 0.412 445 E N 2.546 122.738 120.200 -0.014 0.000 2.165 445 E HA 0.503 4.857 4.350 0.006 0.000 0.266 445 E C -0.148 176.433 176.600 -0.031 0.000 0.889 445 E CA -0.601 55.781 56.400 -0.030 0.000 0.756 445 E CB 1.925 31.596 29.700 -0.049 0.000 1.131 445 E HN 0.544 nan 8.360 nan 0.000 0.411 446 T N 0.757 115.291 114.554 -0.034 0.000 1.559 446 T HA 0.442 4.796 4.350 0.006 0.000 0.177 446 T C -0.382 174.296 174.700 -0.036 0.000 0.688 446 T CA -0.413 61.668 62.100 -0.031 0.000 1.094 446 T CB 0.185 69.037 68.868 -0.027 0.000 3.358 446 T HN 0.668 nan 8.240 nan 0.000 0.413 447 E N -0.125 120.052 120.200 -0.038 0.000 2.390 447 E HA 0.668 5.021 4.350 0.006 0.000 0.280 447 E C -2.164 174.403 176.600 -0.055 0.000 0.992 447 E CA -1.069 55.311 56.400 -0.033 0.000 0.790 447 E CB 1.739 31.430 29.700 -0.016 0.000 1.248 447 E HN 0.362 nan 8.360 nan 0.000 0.447 448 L N 1.823 123.010 121.223 -0.061 0.000 2.455 448 L HA 0.390 4.733 4.340 0.006 0.000 0.264 448 L C -0.514 176.359 176.870 0.006 0.000 0.968 448 L CA -0.867 53.908 54.840 -0.107 0.000 0.827 448 L CB 2.230 44.093 42.059 -0.327 0.000 1.317 448 L HN 0.643 nan 8.230 nan 0.000 0.407 449 M N 1.828 121.446 119.600 0.030 0.000 2.250 449 M HA 0.240 4.724 4.480 0.006 0.000 0.337 449 M C 1.297 177.734 176.300 0.228 0.000 1.161 449 M CA 0.676 56.033 55.300 0.095 0.000 1.088 449 M CB -0.991 31.647 32.600 0.063 0.000 1.639 449 M HN 0.844 nan 8.290 nan 0.000 0.447 450 G N 2.208 111.118 108.800 0.183 0.000 2.203 450 G HA2 -0.267 3.696 3.960 0.006 0.000 0.263 450 G HA3 -0.267 3.696 3.960 0.006 0.000 0.263 450 G C -0.513 174.493 174.900 0.177 0.000 1.012 450 G CA -0.072 45.127 45.100 0.164 0.000 0.749 450 G HN 0.627 nan 8.290 nan 0.000 0.512 451 F N 0.542 120.481 119.950 -0.018 0.000 2.532 451 F HA 0.470 5.001 4.527 0.006 0.000 0.365 451 F C 0.786 176.567 175.800 -0.031 0.000 1.112 451 F CA -1.095 56.889 58.000 -0.027 0.000 1.082 451 F CB 1.437 40.422 39.000 -0.026 0.000 1.319 451 F HN 0.190 nan 8.300 nan 0.000 0.457 452 V N 0.840 120.770 119.914 0.027 0.000 3.061 452 V HA 0.015 4.139 4.120 0.006 0.000 0.306 452 V C 0.535 176.645 176.094 0.027 0.000 1.118 452 V CA 0.231 62.537 62.300 0.009 0.000 1.231 452 V CB 0.529 32.328 31.823 -0.041 0.000 0.956 452 V HN 0.762 nan 8.190 nan 0.000 0.499 453 D N 0.466 120.873 120.400 0.012 0.000 2.514 453 D HA -0.012 4.631 4.640 0.006 0.000 0.249 453 D C 1.103 177.401 176.300 -0.003 0.000 1.036 453 D CA 0.634 54.636 54.000 0.004 0.000 0.911 453 D CB -0.240 40.560 40.800 -0.001 0.000 1.145 453 D HN 0.647 nan 8.370 nan 0.000 0.495 454 D N -0.431 119.966 120.400 -0.005 0.000 2.350 454 D HA -0.034 4.610 4.640 0.006 0.000 0.213 454 D C 0.289 176.584 176.300 -0.009 0.000 1.031 454 D CA 0.223 54.222 54.000 -0.002 0.000 0.861 454 D CB -0.227 40.571 40.800 -0.003 0.000 0.926 454 D HN 0.085 nan 8.370 nan 0.000 0.520 455 Q N 0.874 120.658 119.800 -0.026 0.000 2.257 455 Q HA 0.173 4.517 4.340 0.006 0.000 0.255 455 Q C -0.418 175.542 176.000 -0.067 0.000 0.920 455 Q CA -0.267 55.499 55.803 -0.060 0.000 0.927 455 Q CB 2.077 30.762 28.738 -0.088 0.000 1.229 455 Q HN 0.335 nan 8.270 nan 0.000 0.433 456 Q N 2.064 121.808 119.800 -0.094 0.000 2.324 456 Q HA 0.110 4.454 4.340 0.006 0.000 0.257 456 Q C -0.745 175.151 176.000 -0.173 0.000 1.080 456 Q CA 0.058 55.828 55.803 -0.056 0.000 0.907 456 Q CB 0.506 29.250 28.738 0.010 0.000 1.274 456 Q HN 0.463 nan 8.270 nan 0.000 0.434 457 T N 5.013 119.550 114.554 -0.028 0.000 2.902 457 T HA 0.032 4.386 4.350 0.006 0.000 0.301 457 T C 0.143 174.960 174.700 0.194 0.000 1.012 457 T CA 0.084 62.163 62.100 -0.034 0.000 1.151 457 T CB 0.198 69.064 68.868 -0.003 0.000 0.946 457 T HN 0.433 nan 8.240 nan 0.000 0.542 458 F N 1.983 121.926 119.950 -0.012 0.000 2.678 458 F HA 0.515 5.045 4.527 0.006 0.000 0.305 458 F C 0.090 175.912 175.800 0.037 0.000 1.090 458 F CA -1.005 57.065 58.000 0.117 0.000 1.272 458 F CB -0.312 38.761 39.000 0.121 0.000 1.060 458 F HN 0.512 nan 8.300 nan 0.000 0.576 459 F N -2.453 117.096 119.950 -0.669 0.000 2.890 459 F HA 0.344 4.875 4.527 0.006 0.000 0.326 459 F C -0.445 174.601 175.800 -1.257 0.000 1.143 459 F CA -1.114 56.103 58.000 -1.306 0.000 0.906 459 F CB 0.740 39.481 39.000 -0.431 0.000 1.303 459 F HN -0.314 nan 8.300 nan 0.000 0.447 460 C N 2.098 120.299 119.300 -1.832 0.000 4.183 460 C HA 0.406 4.870 4.460 0.006 0.000 0.332 460 C C 0.920 175.637 174.990 -0.454 0.000 2.007 460 C CA 0.006 58.560 59.018 -0.774 0.000 1.657 460 C CB -0.508 26.927 27.740 -0.508 0.000 3.022 460 C HN 1.214 nan 8.230 nan 0.000 0.579 461 G N 1.281 109.629 108.800 -0.754 0.000 2.818 461 G HA2 0.004 3.968 3.960 0.006 0.000 0.235 461 G HA3 0.004 3.968 3.960 0.006 0.000 0.235 461 G C -0.197 174.792 174.900 0.149 0.000 1.244 461 G CA 0.270 45.340 45.100 -0.050 0.000 0.853 461 G HN 0.694 nan 8.290 nan 0.000 0.596 462 N N 0.071 118.871 118.700 0.167 0.000 2.868 462 N HA 0.311 5.055 4.740 0.006 0.000 0.252 462 N C 0.245 175.845 175.510 0.151 0.000 1.130 462 N CA -0.475 52.674 53.050 0.165 0.000 1.026 462 N CB 1.050 39.652 38.487 0.192 0.000 1.335 462 N HN 0.535 nan 8.380 nan 0.000 0.516 463 V N 0.257 120.255 119.914 0.140 0.000 2.521 463 V HA 0.496 4.620 4.120 0.006 0.000 0.286 463 V C 1.028 177.195 176.094 0.121 0.000 1.034 463 V CA -1.238 61.126 62.300 0.107 0.000 1.045 463 V CB 0.049 31.912 31.823 0.067 0.000 0.974 463 V HN 0.438 nan 8.190 nan 0.000 0.480 464 A N 3.375 126.283 122.820 0.147 0.000 2.364 464 A HA 0.440 4.763 4.320 0.006 0.000 0.258 464 A C 0.871 178.665 177.584 0.349 0.000 1.131 464 A CA 0.592 52.767 52.037 0.229 0.000 0.800 464 A CB -0.672 18.496 19.000 0.280 0.000 1.086 464 A HN 1.774 nan 8.150 nan 0.000 0.508 465 H N -1.836 117.257 119.070 0.038 0.000 2.976 465 H HA -0.125 4.435 4.556 0.006 0.000 0.273 465 H C 0.258 175.611 175.328 0.042 0.000 1.259 465 H CA 0.994 57.066 56.048 0.041 0.000 1.122 465 H CB -2.528 27.260 29.762 0.043 0.000 1.298 465 H HN 0.769 nan 8.280 nan 0.000 0.379 466 Q N -1.408 118.463 119.800 0.119 0.000 2.468 466 Q HA -0.262 4.081 4.340 0.006 0.000 0.289 466 Q C -0.267 175.789 176.000 0.093 0.000 1.299 466 Q CA 1.440 57.292 55.803 0.083 0.000 0.838 466 Q CB -0.722 28.050 28.738 0.056 0.000 1.195 466 Q HN 0.852 nan 8.270 nan 0.000 0.456 467 Q N -0.547 119.319 119.800 0.109 0.000 2.456 467 Q HA 0.763 5.106 4.340 0.006 0.000 0.283 467 Q C -0.698 175.379 176.000 0.129 0.000 1.084 467 Q CA -1.041 54.828 55.803 0.110 0.000 0.801 467 Q CB 1.815 30.615 28.738 0.104 0.000 1.434 467 Q HN 0.177 nan 8.270 nan 0.000 0.419 468 L N 1.713 123.038 121.223 0.171 0.000 2.317 468 L HA 0.590 4.934 4.340 0.006 0.000 0.281 468 L C -0.408 176.657 176.870 0.325 0.000 1.024 468 L CA -1.020 53.981 54.840 0.270 0.000 0.810 468 L CB 1.605 43.830 42.059 0.276 0.000 1.240 468 L HN 0.558 nan 8.230 nan 0.000 0.427 469 I N 3.352 124.082 120.570 0.267 0.000 2.474 469 I HA 0.328 4.502 4.170 0.006 0.000 0.294 469 I C -1.007 175.008 176.117 -0.169 0.000 1.005 469 I CA -0.191 61.129 61.300 0.033 0.000 1.113 469 I CB 2.002 40.033 38.000 0.051 0.000 1.289 469 I HN 0.776 nan 8.210 nan 0.000 0.436 470 Q N 8.359 127.848 119.800 -0.519 0.000 2.337 470 Q HA 0.450 4.794 4.340 0.006 0.000 0.264 470 Q C -1.526 174.281 176.000 -0.322 0.000 1.007 470 Q CA -0.605 54.840 55.803 -0.596 0.000 0.727 470 Q CB 1.580 29.569 28.738 -1.248 0.000 1.256 470 Q HN 0.617 nan 8.270 nan 0.000 0.467 471 I N 2.504 122.972 120.570 -0.169 0.000 2.352 471 I HA 0.258 4.432 4.170 0.006 0.000 0.290 471 I C 0.540 176.576 176.117 -0.136 0.000 1.036 471 I CA -0.135 61.109 61.300 -0.095 0.000 1.336 471 I CB 1.424 39.427 38.000 0.004 0.000 1.407 471 I HN 0.453 nan 8.210 nan 0.000 0.497 472 T N 2.764 117.202 114.554 -0.193 0.000 2.870 472 T HA 0.246 4.600 4.350 0.006 0.000 0.277 472 T C 1.268 175.700 174.700 -0.446 0.000 1.000 472 T CA -0.356 61.544 62.100 -0.334 0.000 0.982 472 T CB 1.605 70.327 68.868 -0.242 0.000 1.249 472 T HN 0.660 nan 8.240 nan 0.000 0.589 473 S N 0.720 116.069 115.700 -0.585 0.000 2.353 473 S HA -0.093 4.380 4.470 0.006 0.000 0.222 473 S C 2.158 176.668 174.600 -0.151 0.000 1.035 473 S CA 1.386 59.333 58.200 -0.422 0.000 1.025 473 S CB -0.767 62.262 63.200 -0.285 0.000 0.902 473 S HN 0.753 nan 8.310 nan 0.000 0.440 474 A N 1.755 124.494 122.820 -0.135 0.000 1.823 474 A HA 0.176 4.500 4.320 0.006 0.000 0.214 474 A C 1.415 178.968 177.584 -0.052 0.000 1.225 474 A CA 1.114 53.103 52.037 -0.080 0.000 0.604 474 A CB -0.767 18.181 19.000 -0.087 0.000 0.878 474 A HN 0.590 nan 8.150 nan 0.000 0.450 475 S N -1.656 114.008 115.700 -0.060 0.000 2.578 475 S HA 0.529 5.002 4.470 0.006 0.000 0.301 475 S C -0.567 174.039 174.600 0.009 0.000 1.091 475 S CA -0.217 57.977 58.200 -0.010 0.000 1.032 475 S CB 1.580 64.752 63.200 -0.046 0.000 1.064 475 S HN 1.077 nan 8.310 nan 0.000 0.508 476 V N 3.418 123.398 119.914 0.110 0.000 2.284 476 V HA 0.386 4.509 4.120 0.006 0.000 0.260 476 V C 0.246 176.341 176.094 0.002 0.000 1.084 476 V CA -0.601 61.720 62.300 0.035 0.000 0.894 476 V CB -0.844 30.996 31.823 0.028 0.000 1.119 476 V HN 0.875 nan 8.190 nan 0.000 0.484 477 R N 4.181 124.620 120.500 -0.102 0.000 2.738 477 R HA 0.595 4.939 4.340 0.006 0.000 0.275 477 R C -0.898 175.332 176.300 -0.116 0.000 1.121 477 R CA -0.506 55.519 56.100 -0.126 0.000 1.207 477 R CB 0.729 30.890 30.300 -0.231 0.000 1.141 477 R HN 0.623 nan 8.270 nan 0.000 0.571 478 L N 0.192 121.375 121.223 -0.066 0.000 2.482 478 L HA 0.463 4.807 4.340 0.006 0.000 0.263 478 L C -1.475 175.431 176.870 0.059 0.000 0.957 478 L CA -0.563 54.275 54.840 -0.002 0.000 0.836 478 L CB 2.396 44.471 42.059 0.026 0.000 1.324 478 L HN 0.332 nan 8.230 nan 0.000 0.406 479 V N 1.963 121.959 119.914 0.137 0.000 3.130 479 V HA 0.752 4.876 4.120 0.006 0.000 0.310 479 V C -0.428 175.753 176.094 0.145 0.000 1.158 479 V CA -0.561 61.852 62.300 0.188 0.000 1.029 479 V CB 2.368 34.420 31.823 0.381 0.000 1.057 479 V HN 0.803 nan 8.190 nan 0.000 0.436 480 S N -0.112 115.652 115.700 0.108 0.000 2.715 480 S HA 0.433 4.906 4.470 0.006 0.000 0.307 480 S C 0.269 174.905 174.600 0.058 0.000 1.119 480 S CA -0.703 57.546 58.200 0.081 0.000 0.937 480 S CB 2.016 65.256 63.200 0.066 0.000 1.150 480 S HN 0.758 nan 8.310 nan 0.000 0.521 481 Q N 0.778 120.607 119.800 0.048 0.000 2.226 481 Q HA 0.070 4.414 4.340 0.006 0.000 0.199 481 Q C 1.156 177.171 176.000 0.025 0.000 0.945 481 Q CA 0.776 56.596 55.803 0.029 0.000 0.861 481 Q CB -0.162 28.592 28.738 0.026 0.000 0.953 481 Q HN 0.630 nan 8.270 nan 0.000 0.490 482 E N 1.599 121.818 120.200 0.031 0.000 2.004 482 E HA -0.082 4.272 4.350 0.006 0.000 0.194 482 E C -0.475 176.141 176.600 0.027 0.000 0.981 482 E CA 0.691 57.108 56.400 0.027 0.000 0.842 482 E CB -1.577 28.141 29.700 0.030 0.000 0.796 482 E HN 0.190 nan 8.360 nan 0.000 0.477 483 P HA -0.160 nan 4.420 nan 0.000 0.214 483 P C 0.197 177.517 177.300 0.035 0.000 1.163 483 P CA 1.607 64.727 63.100 0.034 0.000 0.883 483 P CB -0.004 31.720 31.700 0.040 0.000 0.788 484 K N -2.216 118.211 120.400 0.044 0.000 3.239 484 K HA -0.100 4.224 4.320 0.006 0.000 0.270 484 K C -0.319 176.311 176.600 0.052 0.000 1.049 484 K CA 0.657 56.972 56.287 0.046 0.000 0.769 484 K CB -1.629 30.886 32.500 0.024 0.000 1.305 484 K HN 0.287 nan 8.250 nan 0.000 0.469 485 A N -0.079 122.780 122.820 0.064 0.000 4.729 485 A HA 0.647 4.970 4.320 0.006 0.000 0.170 485 A C -1.075 176.549 177.584 0.066 0.000 0.741 485 A CA -0.210 51.862 52.037 0.060 0.000 0.936 485 A CB 0.166 19.190 19.000 0.040 0.000 1.982 485 A HN 0.499 nan 8.150 nan 0.000 0.938 486 L N 1.972 123.222 121.223 0.046 0.000 2.727 486 L HA 0.318 4.662 4.340 0.006 0.000 0.237 486 L C 1.023 177.914 176.870 0.035 0.000 1.370 486 L CA 0.385 55.246 54.840 0.035 0.000 1.248 486 L CB -0.499 41.572 42.059 0.020 0.000 1.556 486 L HN 0.410 nan 8.230 nan 0.000 0.420 487 V N -0.377 119.566 119.914 0.047 0.000 2.324 487 V HA -0.165 3.959 4.120 0.006 0.000 0.250 487 V C 1.369 177.490 176.094 0.045 0.000 1.060 487 V CA 1.720 64.049 62.300 0.049 0.000 1.042 487 V CB -0.573 31.287 31.823 0.061 0.000 0.650 487 V HN 0.720 nan 8.190 nan 0.000 0.450 488 S N -2.537 113.188 115.700 0.042 0.000 2.757 488 S HA 0.586 5.060 4.470 0.006 0.000 0.285 488 S C -1.599 173.021 174.600 0.034 0.000 1.196 488 S CA -0.607 57.618 58.200 0.043 0.000 0.856 488 S CB 2.043 65.277 63.200 0.058 0.000 1.212 488 S HN 0.502 nan 8.310 nan 0.000 0.516 489 E N 0.118 120.349 120.200 0.050 0.000 3.287 489 E HA 0.158 4.512 4.350 0.006 0.000 0.355 489 E C -2.384 174.273 176.600 0.094 0.000 1.027 489 E CA -0.206 56.221 56.400 0.046 0.000 0.840 489 E CB 0.556 30.254 29.700 -0.003 0.000 1.273 489 E HN 0.568 nan 8.360 nan 0.000 0.458 490 W N 5.356 126.616 121.300 -0.066 0.000 2.391 490 W HA 0.547 5.211 4.660 0.006 0.000 0.311 490 W C -0.838 175.624 176.519 -0.094 0.000 1.087 490 W CA -0.444 56.859 57.345 -0.070 0.000 1.209 490 W CB 1.090 30.512 29.460 -0.065 0.000 1.273 490 W HN 0.341 nan 8.180 nan 0.000 0.482 491 K N 4.105 124.092 120.400 -0.689 0.000 2.324 491 K HA 0.183 4.507 4.320 0.006 0.000 0.253 491 K C -0.390 175.473 176.600 -1.227 0.000 0.932 491 K CA -0.544 55.338 56.287 -0.674 0.000 0.799 491 K CB 1.456 33.727 32.500 -0.382 0.000 1.154 491 K HN 0.398 nan 8.250 nan 0.000 0.425 492 E N 5.375 125.000 120.200 -0.958 0.000 2.351 492 E HA 0.071 4.425 4.350 0.006 0.000 0.266 492 E C -1.982 174.333 176.600 -0.474 0.000 1.031 492 E CA -1.597 54.288 56.400 -0.858 0.000 0.911 492 E CB 0.671 30.155 29.700 -0.359 0.000 0.986 492 E HN 0.387 nan 8.360 nan 0.000 0.446 493 P HA 0.024 nan 4.420 nan 0.000 0.259 493 P C -0.140 177.107 177.300 -0.087 0.000 1.635 493 P CA 0.489 63.477 63.100 -0.186 0.000 1.199 493 P CB 0.519 32.165 31.700 -0.090 0.000 1.850 494 Q N 1.098 120.838 119.800 -0.099 0.000 3.744 494 Q HA 0.011 4.355 4.340 0.006 0.000 0.196 494 Q C 0.262 176.229 176.000 -0.055 0.000 0.895 494 Q CA 0.681 56.454 55.803 -0.051 0.000 0.574 494 Q CB -0.986 27.749 28.738 -0.005 0.000 0.889 494 Q HN 0.496 nan 8.270 nan 0.000 0.502 495 A N 1.381 124.149 122.820 -0.087 0.000 2.815 495 A HA -0.207 4.117 4.320 0.006 0.000 0.292 495 A C -0.320 177.239 177.584 -0.042 0.000 1.457 495 A CA 1.607 53.599 52.037 -0.075 0.000 0.735 495 A CB -1.545 17.419 19.000 -0.060 0.000 1.056 495 A HN 0.109 nan 8.150 nan 0.000 0.474 496 K N 0.218 120.599 120.400 -0.033 0.000 2.324 496 K HA 0.407 4.731 4.320 0.006 0.000 0.253 496 K C -0.302 176.316 176.600 0.031 0.000 0.932 496 K CA -1.029 55.267 56.287 0.015 0.000 0.799 496 K CB 0.961 33.495 32.500 0.056 0.000 1.154 496 K HN 0.478 nan 8.250 nan 0.000 0.425 497 N N 2.026 120.756 118.700 0.050 0.000 2.508 497 N HA 0.142 4.886 4.740 0.006 0.000 0.264 497 N C -0.114 175.476 175.510 0.134 0.000 1.216 497 N CA 0.044 53.137 53.050 0.072 0.000 0.943 497 N CB 0.498 39.028 38.487 0.072 0.000 1.113 497 N HN 0.392 nan 8.380 nan 0.000 0.447 498 I N 1.031 121.697 120.570 0.160 0.000 2.556 498 I HA -0.057 4.116 4.170 0.006 0.000 0.284 498 I C 1.613 177.931 176.117 0.335 0.000 1.114 498 I CA 0.029 61.468 61.300 0.232 0.000 1.418 498 I CB 0.666 38.803 38.000 0.229 0.000 1.394 498 I HN 0.569 nan 8.210 nan 0.000 0.552 499 S N 4.538 120.398 115.700 0.267 0.000 2.438 499 S HA 0.182 4.656 4.470 0.006 0.000 0.220 499 S C 0.539 175.215 174.600 0.127 0.000 1.045 499 S CA -0.111 58.221 58.200 0.221 0.000 0.940 499 S CB 0.138 63.437 63.200 0.165 0.000 0.863 499 S HN 0.351 nan 8.310 nan 0.000 0.539 500 V N 1.832 121.821 119.914 0.126 0.000 2.581 500 V HA 0.840 4.964 4.120 0.006 0.000 0.303 500 V C 0.141 176.289 176.094 0.091 0.000 1.041 500 V CA -0.467 61.873 62.300 0.067 0.000 0.907 500 V CB 1.319 33.196 31.823 0.090 0.000 0.994 500 V HN 0.732 nan 8.190 nan 0.000 0.442 501 A N 2.872 125.731 122.820 0.065 0.000 2.312 501 A HA 0.964 5.288 4.320 0.006 0.000 0.310 501 A C -0.205 177.324 177.584 -0.091 0.000 1.139 501 A CA -0.625 51.427 52.037 0.025 0.000 0.886 501 A CB 1.938 21.019 19.000 0.134 0.000 1.350 501 A HN 0.888 nan 8.150 nan 0.000 0.479 502 S N -1.232 114.280 115.700 -0.314 0.000 2.269 502 S HA 0.227 4.701 4.470 0.006 0.000 0.310 502 S C -1.289 172.947 174.600 -0.607 0.000 0.761 502 S CA -0.318 57.643 58.200 -0.398 0.000 0.849 502 S CB -0.087 62.998 63.200 -0.192 0.000 1.204 502 S HN 1.583 nan 8.310 nan 0.000 0.443 503 C N 4.913 123.522 119.300 -1.151 0.000 2.456 503 C HA 0.832 5.296 4.460 0.006 0.000 0.325 503 C C -0.138 174.603 174.990 -0.415 0.000 1.217 503 C CA -0.324 58.182 59.018 -0.852 0.000 1.687 503 C CB 0.943 28.099 27.740 -0.974 0.000 2.270 503 C HN 0.904 nan 8.230 nan 0.000 0.499 504 N N 1.796 120.396 118.700 -0.167 0.000 2.381 504 N HA 0.234 4.978 4.740 0.006 0.000 0.294 504 N C 0.242 175.770 175.510 0.030 0.000 1.216 504 N CA -0.222 52.810 53.050 -0.030 0.000 0.803 504 N CB 2.245 40.684 38.487 -0.080 0.000 1.372 504 N HN 0.697 nan 8.380 nan 0.000 0.500 505 S N 0.232 115.972 115.700 0.067 0.000 2.803 505 S HA 0.114 4.588 4.470 0.006 0.000 0.226 505 S C 0.182 174.805 174.600 0.039 0.000 0.962 505 S CA 0.554 58.801 58.200 0.079 0.000 0.968 505 S CB -0.265 62.993 63.200 0.098 0.000 0.786 505 S HN 0.540 nan 8.310 nan 0.000 0.527 506 S N -0.821 114.870 115.700 -0.015 0.000 3.352 506 S HA 0.187 4.661 4.470 0.006 0.000 0.242 506 S C -0.010 174.520 174.600 -0.118 0.000 1.075 506 S CA -0.467 57.692 58.200 -0.069 0.000 1.026 506 S CB 0.228 63.413 63.200 -0.026 0.000 1.009 506 S HN 0.460 nan 8.310 nan 0.000 0.429 507 Q N 0.832 120.571 119.800 -0.101 0.000 2.180 507 Q HA 0.735 5.078 4.340 0.006 0.000 0.241 507 Q C -1.236 174.649 176.000 -0.192 0.000 0.970 507 Q CA -0.496 55.227 55.803 -0.133 0.000 0.919 507 Q CB 1.828 30.454 28.738 -0.188 0.000 1.222 507 Q HN 0.109 nan 8.270 nan 0.000 0.482 508 V N 1.124 120.891 119.914 -0.245 0.000 2.612 508 V HA 0.347 4.471 4.120 0.006 0.000 0.301 508 V C -1.256 174.623 176.094 -0.358 0.000 1.059 508 V CA -0.708 61.425 62.300 -0.279 0.000 0.886 508 V CB 2.054 33.749 31.823 -0.213 0.000 1.007 508 V HN 0.466 nan 8.190 nan 0.000 0.426 509 V N 5.802 125.519 119.914 -0.329 0.000 2.380 509 V HA 0.515 4.639 4.120 0.006 0.000 0.286 509 V C 0.062 176.072 176.094 -0.139 0.000 1.015 509 V CA -0.522 61.636 62.300 -0.237 0.000 0.834 509 V CB 1.796 33.477 31.823 -0.238 0.000 1.009 509 V HN 0.747 nan 8.190 nan 0.000 0.428 510 V N 2.266 122.130 119.914 -0.082 0.000 3.463 510 V HA 1.061 5.185 4.120 0.006 0.000 0.302 510 V C 0.204 176.354 176.094 0.094 0.000 1.097 510 V CA -0.574 61.720 62.300 -0.010 0.000 1.003 510 V CB 1.728 33.528 31.823 -0.038 0.000 1.229 510 V HN 1.095 nan 8.190 nan 0.000 0.444 511 A N -0.353 122.550 122.820 0.139 0.000 2.520 511 A HA 0.734 5.058 4.320 0.006 0.000 0.298 511 A C -0.425 177.286 177.584 0.211 0.000 1.051 511 A CA -0.114 52.029 52.037 0.177 0.000 0.690 511 A CB 1.977 21.062 19.000 0.143 0.000 1.281 511 A HN 1.113 nan 8.150 nan 0.000 0.402 512 V N 1.308 121.369 119.914 0.245 0.000 3.578 512 V HA 0.496 4.620 4.120 0.006 0.000 0.290 512 V C 1.367 177.560 176.094 0.165 0.000 1.376 512 V CA 1.379 63.822 62.300 0.238 0.000 1.083 512 V CB -0.184 31.847 31.823 0.347 0.000 0.911 512 V HN 1.799 nan 8.190 nan 0.000 0.433 513 G N 1.405 110.291 108.800 0.143 0.000 1.838 513 G HA2 -0.087 3.876 3.960 0.006 0.000 0.067 513 G HA3 -0.087 3.876 3.960 0.006 0.000 0.067 513 G C 0.637 175.603 174.900 0.109 0.000 1.666 513 G CA 0.053 45.214 45.100 0.100 0.000 1.135 513 G HN 0.237 nan 8.290 nan 0.000 0.333 514 R N 1.020 121.563 120.500 0.073 0.000 2.404 514 R HA 0.653 4.997 4.340 0.006 0.000 0.237 514 R C 0.963 177.247 176.300 -0.026 0.000 0.907 514 R CA 0.523 56.648 56.100 0.040 0.000 1.063 514 R CB 1.172 31.483 30.300 0.019 0.000 1.134 514 R HN 0.592 nan 8.270 nan 0.000 0.529 515 A N 2.093 124.917 122.820 0.007 0.000 2.409 515 A HA 0.477 4.801 4.320 0.006 0.000 0.262 515 A C -0.333 177.197 177.584 -0.090 0.000 1.113 515 A CA -0.073 51.921 52.037 -0.072 0.000 0.790 515 A CB 0.259 19.361 19.000 0.169 0.000 1.046 515 A HN 0.196 nan 8.150 nan 0.000 0.496 516 L N 3.010 123.997 121.223 -0.393 0.000 2.406 516 L HA 0.399 4.742 4.340 0.006 0.000 0.270 516 L C -0.782 175.887 176.870 -0.336 0.000 0.982 516 L CA -0.423 54.283 54.840 -0.223 0.000 0.843 516 L CB 1.076 43.016 42.059 -0.197 0.000 1.225 516 L HN 0.831 nan 8.230 nan 0.000 0.412 517 Y N 1.899 122.201 120.300 0.004 0.000 2.803 517 Y HA 0.456 5.010 4.550 0.006 0.000 0.427 517 Y C -0.303 175.709 175.900 0.187 0.000 1.339 517 Y CA -0.284 57.865 58.100 0.082 0.000 1.702 517 Y CB 0.535 39.008 38.460 0.023 0.000 1.659 517 Y HN 0.405 nan 8.280 nan 0.000 0.721 518 Y N 0.171 120.531 120.300 0.100 0.000 2.189 518 Y HA 0.348 4.902 4.550 0.006 0.000 0.318 518 Y C -2.343 173.491 175.900 -0.111 0.000 1.382 518 Y CA -1.093 57.016 58.100 0.014 0.000 1.442 518 Y CB -0.078 38.476 38.460 0.156 0.000 1.276 518 Y HN 0.412 nan 8.280 nan 0.000 0.413 519 L N 4.477 125.890 121.223 0.317 0.000 2.303 519 L HA 0.746 5.090 4.340 0.006 0.000 0.256 519 L C -1.380 175.577 176.870 0.144 0.000 1.034 519 L CA -1.305 53.561 54.840 0.043 0.000 0.832 519 L CB 2.374 44.252 42.059 -0.302 0.000 1.403 519 L HN 0.584 nan 8.230 nan 0.000 0.419 520 Q N 0.761 120.577 119.800 0.026 0.000 2.347 520 Q HA 0.505 4.848 4.340 0.006 0.000 0.271 520 Q C -0.702 175.209 176.000 -0.148 0.000 1.064 520 Q CA -0.559 55.208 55.803 -0.061 0.000 0.800 520 Q CB 3.042 31.749 28.738 -0.051 0.000 1.304 520 Q HN 0.451 nan 8.270 nan 0.000 0.438 521 I N 2.174 122.583 120.570 -0.267 0.000 3.525 521 I HA 0.088 4.261 4.170 0.006 0.000 0.311 521 I C -0.020 175.906 176.117 -0.318 0.000 1.329 521 I CA -0.014 61.151 61.300 -0.224 0.000 1.382 521 I CB -1.200 36.689 38.000 -0.184 0.000 1.328 521 I HN 0.549 nan 8.210 nan 0.000 0.493 522 H N 3.153 122.155 119.070 -0.114 0.000 2.790 522 H HA 0.129 4.688 4.556 0.006 0.000 0.358 522 H C -1.847 173.475 175.328 -0.009 0.000 1.103 522 H CA -1.729 54.261 56.048 -0.096 0.000 1.426 522 H CB 0.319 30.062 29.762 -0.030 0.000 1.424 522 H HN -0.027 nan 8.280 nan 0.000 0.599 523 P HA -0.194 nan 4.420 nan 0.000 0.207 523 P C -0.087 177.291 177.300 0.129 0.000 0.945 523 P CA 1.063 64.288 63.100 0.208 0.000 1.033 523 P CB -0.383 31.434 31.700 0.195 0.000 1.023 524 Q N -1.047 118.817 119.800 0.107 0.000 2.504 524 Q HA -0.241 4.103 4.340 0.006 0.000 0.274 524 Q C 0.026 176.068 176.000 0.071 0.000 1.103 524 Q CA 1.198 57.050 55.803 0.082 0.000 0.962 524 Q CB -1.549 27.235 28.738 0.076 0.000 1.322 524 Q HN 0.692 nan 8.270 nan 0.000 0.500 525 E N -1.023 119.220 120.200 0.070 0.000 2.396 525 E HA 0.602 4.956 4.350 0.006 0.000 0.280 525 E C -1.165 175.478 176.600 0.071 0.000 1.065 525 E CA -0.925 55.518 56.400 0.072 0.000 0.831 525 E CB 0.674 30.420 29.700 0.076 0.000 1.272 525 E HN 0.105 nan 8.360 nan 0.000 0.443 526 L N 1.439 122.715 121.223 0.088 0.000 2.321 526 L HA 0.530 4.873 4.340 0.006 0.000 0.272 526 L C 0.240 177.189 176.870 0.132 0.000 1.050 526 L CA -0.650 54.246 54.840 0.093 0.000 0.893 526 L CB 0.622 42.755 42.059 0.123 0.000 1.272 526 L HN 0.392 nan 8.230 nan 0.000 0.435 527 R N 2.002 122.568 120.500 0.109 0.000 2.490 527 R HA 0.303 4.647 4.340 0.006 0.000 0.278 527 R C -0.360 175.986 176.300 0.077 0.000 1.069 527 R CA -0.263 55.904 56.100 0.113 0.000 1.080 527 R CB 1.185 31.554 30.300 0.115 0.000 1.030 527 R HN 0.517 nan 8.270 nan 0.000 0.491 528 Q N 2.953 122.811 119.800 0.095 0.000 2.257 528 Q HA 0.323 4.666 4.340 0.006 0.000 0.262 528 Q C 0.017 176.011 176.000 -0.010 0.000 0.997 528 Q CA -0.626 55.223 55.803 0.077 0.000 0.873 528 Q CB 1.476 30.365 28.738 0.252 0.000 1.312 528 Q HN 0.644 nan 8.270 nan 0.000 0.450 529 I N -0.657 119.862 120.570 -0.086 0.000 4.518 529 I HA 0.168 4.342 4.170 0.006 0.000 0.247 529 I C 0.239 176.354 176.117 -0.003 0.000 0.994 529 I CA -0.161 61.041 61.300 -0.163 0.000 2.009 529 I CB 0.052 37.712 38.000 -0.567 0.000 1.547 529 I HN 0.451 nan 8.210 nan 0.000 0.463 530 S N -0.342 115.410 115.700 0.087 0.000 2.722 530 S HA 0.500 4.974 4.470 0.006 0.000 0.292 530 S C -0.990 173.639 174.600 0.047 0.000 1.135 530 S CA -0.282 58.010 58.200 0.153 0.000 1.003 530 S CB 1.860 65.319 63.200 0.431 0.000 1.067 530 S HN 0.386 nan 8.310 nan 0.000 0.546 531 H N -0.443 118.487 119.070 -0.234 0.000 2.759 531 H HA 0.617 5.176 4.556 0.006 0.000 0.354 531 H C -1.428 173.574 175.328 -0.543 0.000 1.074 531 H CA -0.098 55.682 56.048 -0.445 0.000 1.226 531 H CB 1.480 31.017 29.762 -0.375 0.000 1.648 531 H HN 0.598 nan 8.280 nan 0.000 0.529 532 T N 3.748 117.568 114.554 -1.223 0.000 3.097 532 T HA 0.204 4.558 4.350 0.006 0.000 0.332 532 T C -1.074 173.186 174.700 -0.732 0.000 1.269 532 T CA -0.865 60.721 62.100 -0.856 0.000 1.076 532 T CB 1.974 70.316 68.868 -0.876 0.000 1.209 532 T HN 0.647 nan 8.240 nan 0.000 0.474 533 E N 2.269 122.225 120.200 -0.407 0.000 2.222 533 E HA 0.681 5.035 4.350 0.006 0.000 0.267 533 E C -0.787 175.727 176.600 -0.143 0.000 0.963 533 E CA -0.879 55.377 56.400 -0.240 0.000 0.837 533 E CB 0.912 30.533 29.700 -0.132 0.000 1.183 533 E HN 0.442 nan 8.360 nan 0.000 0.403 534 M N 1.905 121.452 119.600 -0.088 0.000 2.662 534 M HA 0.256 4.740 4.480 0.006 0.000 0.310 534 M C 0.885 177.119 176.300 -0.111 0.000 1.204 534 M CA -0.769 54.493 55.300 -0.064 0.000 0.891 534 M CB 1.414 34.012 32.600 -0.003 0.000 1.732 534 M HN 0.564 nan 8.290 nan 0.000 0.467 535 E N 1.114 121.197 120.200 -0.194 0.000 2.170 535 E HA -0.232 4.122 4.350 0.006 0.000 0.229 535 E C 0.332 176.584 176.600 -0.581 0.000 1.074 535 E CA 1.997 58.106 56.400 -0.486 0.000 0.930 535 E CB -0.158 29.110 29.700 -0.720 0.000 0.806 535 E HN 0.617 nan 8.360 nan 0.000 0.478 536 H N -0.893 118.213 119.070 0.059 0.000 3.196 536 H HA 0.403 4.963 4.556 0.006 0.000 0.303 536 H C -0.168 175.242 175.328 0.137 0.000 1.605 536 H CA -0.832 55.272 56.048 0.095 0.000 1.351 536 H CB 0.340 30.178 29.762 0.127 0.000 1.860 536 H HN -0.079 nan 8.280 nan 0.000 0.697 537 E N 1.219 121.636 120.200 0.362 0.000 2.344 537 E HA 0.155 4.509 4.350 0.006 0.000 0.270 537 E C -0.467 176.531 176.600 0.662 0.000 1.021 537 E CA -0.361 56.244 56.400 0.341 0.000 0.887 537 E CB 1.159 30.831 29.700 -0.045 0.000 0.997 537 E HN 0.139 nan 8.360 nan 0.000 0.429 538 V N 4.065 124.224 119.914 0.407 0.000 2.434 538 V HA -0.066 4.058 4.120 0.006 0.000 0.281 538 V C 1.086 177.485 176.094 0.509 0.000 1.005 538 V CA 0.686 63.189 62.300 0.339 0.000 1.089 538 V CB 0.442 32.391 31.823 0.210 0.000 0.978 538 V HN 0.859 nan 8.190 nan 0.000 0.474 539 A N 4.840 127.752 122.820 0.153 0.000 1.898 539 A HA 0.137 4.461 4.320 0.006 0.000 0.214 539 A C 1.013 178.593 177.584 -0.006 0.000 1.183 539 A CA 1.239 53.161 52.037 -0.192 0.000 0.622 539 A CB -0.085 18.370 19.000 -0.908 0.000 0.824 539 A HN 1.147 nan 8.150 nan 0.000 0.444 540 C N -3.444 115.857 119.300 0.002 0.000 3.302 540 C HA 0.734 5.198 4.460 0.006 0.000 0.347 540 C C -1.183 173.823 174.990 0.028 0.000 1.218 540 C CA -1.372 57.658 59.018 0.019 0.000 1.234 540 C CB 0.184 27.914 27.740 -0.016 0.000 1.551 540 C HN 0.348 nan 8.230 nan 0.000 0.501 541 L N 1.374 122.618 121.223 0.035 0.000 2.424 541 L HA 0.822 5.166 4.340 0.006 0.000 0.258 541 L C -1.388 175.495 176.870 0.022 0.000 0.995 541 L CA -0.075 54.779 54.840 0.023 0.000 0.821 541 L CB 2.219 44.287 42.059 0.015 0.000 1.383 541 L HN 0.968 nan 8.230 nan 0.000 0.410 542 D N 1.856 122.261 120.400 0.008 0.000 2.947 542 D HA 0.671 5.314 4.640 0.006 0.000 0.224 542 D C -1.590 174.697 176.300 -0.022 0.000 1.230 542 D CA -0.292 53.715 54.000 0.011 0.000 0.871 542 D CB 1.966 42.790 40.800 0.040 0.000 1.671 542 D HN 0.345 nan 8.370 nan 0.000 0.507 543 I N 0.319 120.865 120.570 -0.039 0.000 2.571 543 I HA 0.674 4.848 4.170 0.006 0.000 0.289 543 I C -1.085 175.012 176.117 -0.033 0.000 1.115 543 I CA -0.559 60.705 61.300 -0.061 0.000 1.045 543 I CB 2.324 40.246 38.000 -0.130 0.000 1.238 543 I HN 0.263 nan 8.210 nan 0.000 0.424 544 T N 3.805 118.350 114.554 -0.015 0.000 3.143 544 T HA 0.459 4.813 4.350 0.006 0.000 0.312 544 T C -3.000 171.704 174.700 0.007 0.000 0.986 544 T CA -1.209 60.894 62.100 0.005 0.000 1.024 544 T CB 1.718 70.598 68.868 0.020 0.000 1.030 544 T HN 0.440 nan 8.240 nan 0.000 0.448 545 P HA 0.128 nan 4.420 nan 0.000 0.260 545 P C 0.309 177.632 177.300 0.038 0.000 1.207 545 P CA -0.253 62.855 63.100 0.013 0.000 0.780 545 P CB 0.624 32.333 31.700 0.014 0.000 0.789 546 L N 4.057 125.317 121.223 0.060 0.000 1.909 546 L HA 0.043 4.386 4.340 0.006 0.000 0.216 546 L C 2.544 179.499 176.870 0.141 0.000 1.097 546 L CA 2.688 57.606 54.840 0.130 0.000 0.777 546 L CB -1.546 40.662 42.059 0.250 0.000 0.887 546 L HN 0.445 nan 8.230 nan 0.000 0.432 547 G N -1.095 107.832 108.800 0.211 0.000 2.805 547 G HA2 -0.029 3.935 3.960 0.006 0.000 0.214 547 G HA3 -0.029 3.935 3.960 0.006 0.000 0.214 547 G C -0.059 174.900 174.900 0.099 0.000 1.220 547 G CA 0.480 45.682 45.100 0.170 0.000 0.854 547 G HN 0.509 nan 8.290 nan 0.000 0.623 548 D N 1.216 121.668 120.400 0.087 0.000 3.134 548 D HA 0.339 4.983 4.640 0.006 0.000 0.248 548 D C -0.141 176.181 176.300 0.036 0.000 1.273 548 D CA -0.324 53.708 54.000 0.052 0.000 0.904 548 D CB 0.055 40.880 40.800 0.041 0.000 1.089 548 D HN 0.150 nan 8.370 nan 0.000 0.478 549 S N -0.065 115.659 115.700 0.040 0.000 2.571 549 S HA 0.254 4.728 4.470 0.006 0.000 0.238 549 S C -0.653 173.969 174.600 0.036 0.000 1.153 549 S CA -1.077 57.142 58.200 0.032 0.000 1.141 549 S CB 0.399 63.612 63.200 0.021 0.000 1.133 549 S HN 0.088 nan 8.310 nan 0.000 0.464 550 N N 2.433 121.156 118.700 0.038 0.000 2.400 550 N HA 0.265 5.009 4.740 0.006 0.000 0.267 550 N C 1.466 177.003 175.510 0.046 0.000 1.208 550 N CA 1.499 54.575 53.050 0.043 0.000 0.951 550 N CB 0.753 39.268 38.487 0.046 0.000 1.227 550 N HN 1.098 nan 8.380 nan 0.000 0.488 551 G N 1.944 110.770 108.800 0.043 0.000 3.163 551 G HA2 -0.344 3.620 3.960 0.006 0.000 0.227 551 G HA3 -0.344 3.620 3.960 0.006 0.000 0.227 551 G C 0.261 175.174 174.900 0.021 0.000 1.300 551 G CA 0.232 45.355 45.100 0.039 0.000 0.867 551 G HN 0.516 nan 8.290 nan 0.000 0.533 552 L N 2.019 123.259 121.223 0.029 0.000 2.410 552 L HA 0.651 4.994 4.340 0.006 0.000 0.273 552 L C 0.658 177.532 176.870 0.007 0.000 1.152 552 L CA 0.775 55.630 54.840 0.024 0.000 0.855 552 L CB 1.490 43.576 42.059 0.046 0.000 1.129 552 L HN 0.366 nan 8.230 nan 0.000 0.463 553 S N 5.845 121.535 115.700 -0.017 0.000 2.449 553 S HA 0.622 5.096 4.470 0.006 0.000 0.310 553 S C -2.038 172.535 174.600 -0.046 0.000 1.096 553 S CA -1.404 56.774 58.200 -0.036 0.000 1.095 553 S CB 1.041 64.202 63.200 -0.065 0.000 1.007 553 S HN 0.536 nan 8.310 nan 0.000 0.474 554 P HA 0.042 nan 4.420 nan 0.000 0.296 554 P C 0.245 177.500 177.300 -0.075 0.000 1.407 554 P CA -0.021 63.047 63.100 -0.054 0.000 0.793 554 P CB 0.017 31.682 31.700 -0.059 0.000 1.675 555 L N -2.055 119.123 121.223 -0.075 0.000 2.506 555 L HA 0.464 4.808 4.340 0.006 0.000 0.199 555 L C 0.523 177.343 176.870 -0.084 0.000 1.178 555 L CA -0.270 54.521 54.840 -0.082 0.000 0.868 555 L CB -0.795 41.227 42.059 -0.062 0.000 1.451 555 L HN 0.319 nan 8.230 nan 0.000 0.526 556 C N -1.801 117.454 119.300 -0.076 0.000 3.272 556 C HA 0.900 5.364 4.460 0.006 0.000 0.363 556 C C -1.175 173.795 174.990 -0.034 0.000 1.514 556 C CA 0.168 59.147 59.018 -0.064 0.000 1.185 556 C CB 1.181 28.857 27.740 -0.108 0.000 1.716 556 C HN 1.318 nan 8.230 nan 0.000 0.440 557 A N 1.059 123.868 122.820 -0.019 0.000 2.606 557 A HA 0.908 5.232 4.320 0.006 0.000 0.293 557 A C -1.552 176.035 177.584 0.006 0.000 1.082 557 A CA -0.198 51.839 52.037 0.001 0.000 0.685 557 A CB 1.356 20.370 19.000 0.023 0.000 1.284 557 A HN 1.758 nan 8.150 nan 0.000 0.408 558 I N 0.561 121.136 120.570 0.007 0.000 2.731 558 I HA 0.604 4.778 4.170 0.006 0.000 0.289 558 I C -0.147 175.966 176.117 -0.007 0.000 1.399 558 I CA -0.256 61.052 61.300 0.012 0.000 1.048 558 I CB 1.743 39.764 38.000 0.034 0.000 1.345 558 I HN 0.998 nan 8.210 nan 0.000 0.425 559 G N 7.337 116.120 108.800 -0.029 0.000 2.356 559 G HA2 0.633 4.597 3.960 0.006 0.000 0.298 559 G HA3 0.633 4.597 3.960 0.006 0.000 0.298 559 G C -0.816 174.020 174.900 -0.106 0.000 1.145 559 G CA -0.515 44.532 45.100 -0.089 0.000 0.850 559 G HN 0.570 nan 8.290 nan 0.000 0.487 560 L N 0.110 121.268 121.223 -0.108 0.000 2.341 560 L HA 0.542 4.886 4.340 0.006 0.000 0.267 560 L C 0.722 177.489 176.870 -0.171 0.000 1.022 560 L CA -1.010 53.820 54.840 -0.016 0.000 0.844 560 L CB 1.497 43.633 42.059 0.129 0.000 1.436 560 L HN 0.672 nan 8.230 nan 0.000 0.483 561 W N -0.884 120.425 121.300 0.014 0.000 2.783 561 W HA 0.057 4.720 4.660 0.006 0.000 0.287 561 W C 2.384 178.841 176.519 -0.103 0.000 1.085 561 W CA 0.420 57.749 57.345 -0.026 0.000 1.646 561 W CB -0.487 28.985 29.460 0.021 0.000 1.135 561 W HN 0.392 nan 8.180 nan 0.000 0.548 562 T N 0.452 115.042 114.554 0.059 0.000 2.851 562 T HA -0.161 4.192 4.350 0.006 0.000 0.262 562 T C 1.235 175.814 174.700 -0.202 0.000 1.043 562 T CA 1.727 63.792 62.100 -0.058 0.000 1.140 562 T CB -0.552 68.290 68.868 -0.043 0.000 0.872 562 T HN 0.196 nan 8.240 nan 0.000 0.446 563 D N 1.083 121.198 120.400 -0.476 0.000 2.317 563 D HA -0.022 4.622 4.640 0.006 0.000 0.211 563 D C 0.397 176.588 176.300 -0.182 0.000 0.966 563 D CA 0.007 53.809 54.000 -0.331 0.000 0.876 563 D CB -0.489 40.075 40.800 -0.393 0.000 0.927 563 D HN 0.347 nan 8.370 nan 0.000 0.519 564 I N 0.638 121.109 120.570 -0.165 0.000 7.863 564 I HA -0.236 3.938 4.170 0.006 0.000 0.126 564 I C -0.412 175.624 176.117 -0.136 0.000 1.842 564 I CA 0.820 62.040 61.300 -0.132 0.000 2.048 564 I CB -1.203 36.743 38.000 -0.090 0.000 3.719 564 I HN 0.456 nan 8.210 nan 0.000 0.172 565 S N 3.346 118.962 115.700 -0.139 0.000 2.587 565 S HA 0.985 5.459 4.470 0.006 0.000 0.269 565 S C -0.919 173.611 174.600 -0.116 0.000 1.154 565 S CA -0.315 57.807 58.200 -0.130 0.000 0.824 565 S CB 2.179 65.320 63.200 -0.098 0.000 1.118 565 S HN 1.726 nan 8.310 nan 0.000 0.462 566 A N 1.483 124.227 122.820 -0.127 0.000 2.486 566 A HA 0.979 5.303 4.320 0.006 0.000 0.300 566 A C -0.776 176.732 177.584 -0.126 0.000 1.048 566 A CA -1.004 50.974 52.037 -0.098 0.000 0.696 566 A CB 1.454 20.412 19.000 -0.070 0.000 1.278 566 A HN 1.187 nan 8.150 nan 0.000 0.405 567 R N 1.778 122.229 120.500 -0.083 0.000 2.643 567 R HA 0.584 4.928 4.340 0.006 0.000 0.269 567 R C -1.668 174.605 176.300 -0.045 0.000 1.037 567 R CA -0.772 55.272 56.100 -0.093 0.000 0.894 567 R CB 0.940 31.197 30.300 -0.071 0.000 1.238 567 R HN 0.447 nan 8.270 nan 0.000 0.459 568 I N 3.063 123.610 120.570 -0.039 0.000 2.315 568 I HA 0.451 4.624 4.170 0.006 0.000 0.291 568 I C -0.383 175.731 176.117 -0.006 0.000 1.006 568 I CA -0.870 60.428 61.300 -0.003 0.000 1.265 568 I CB 0.689 38.710 38.000 0.035 0.000 1.387 568 I HN 0.512 nan 8.210 nan 0.000 0.475 569 L N 5.794 127.005 121.223 -0.019 0.000 2.424 569 L HA 0.485 4.828 4.340 0.006 0.000 0.258 569 L C 0.379 177.204 176.870 -0.075 0.000 0.995 569 L CA -0.464 54.357 54.840 -0.032 0.000 0.821 569 L CB 2.182 44.230 42.059 -0.018 0.000 1.383 569 L HN 0.503 nan 8.230 nan 0.000 0.410 570 K N 0.202 120.549 120.400 -0.088 0.000 2.952 570 K HA 0.362 4.686 4.320 0.006 0.000 0.323 570 K C 0.138 176.596 176.600 -0.236 0.000 1.003 570 K CA -0.187 56.029 56.287 -0.118 0.000 1.156 570 K CB 0.437 32.894 32.500 -0.071 0.000 1.339 570 K HN 0.443 nan 8.250 nan 0.000 0.516 571 L N 0.342 121.433 121.223 -0.219 0.000 2.814 571 L HA 0.232 4.576 4.340 0.006 0.000 0.183 571 L C -1.671 174.982 176.870 -0.362 0.000 1.362 571 L CA 0.108 54.774 54.840 -0.290 0.000 1.674 571 L CB -0.581 41.410 42.059 -0.113 0.000 1.673 571 L HN 0.453 nan 8.230 nan 0.000 0.869 572 P HA 0.022 nan 4.420 nan 0.000 0.233 572 P C 1.304 178.745 177.300 0.234 0.000 1.167 572 P CA 1.253 64.424 63.100 0.119 0.000 0.770 572 P CB -0.046 31.706 31.700 0.086 0.000 0.837 573 S N -0.988 114.780 115.700 0.113 0.000 2.371 573 S HA -0.033 4.441 4.470 0.006 0.000 0.221 573 S C 0.589 175.403 174.600 0.357 0.000 1.036 573 S CA 0.191 58.504 58.200 0.188 0.000 0.965 573 S CB -1.281 61.966 63.200 0.079 0.000 0.845 573 S HN 0.054 nan 8.310 nan 0.000 0.475 574 F N 2.175 122.131 119.950 0.010 0.000 2.986 574 F HA -0.123 4.408 4.527 0.006 0.000 0.309 574 F C -0.016 175.777 175.800 -0.013 0.000 0.884 574 F CA 0.515 58.511 58.000 -0.007 0.000 1.263 574 F CB -2.219 36.767 39.000 -0.024 0.000 1.315 574 F HN 0.482 nan 8.300 nan 0.000 0.595 575 E N 1.389 121.642 120.200 0.088 0.000 2.167 575 E HA 0.409 4.763 4.350 0.006 0.000 0.284 575 E C -0.060 176.560 176.600 0.033 0.000 1.016 575 E CA -0.931 55.503 56.400 0.056 0.000 0.817 575 E CB 2.300 32.021 29.700 0.034 0.000 1.080 575 E HN 0.328 nan 8.360 nan 0.000 0.397 576 L N 5.193 126.436 121.223 0.033 0.000 2.410 576 L HA 0.058 4.401 4.340 0.006 0.000 0.273 576 L C -0.247 176.631 176.870 0.014 0.000 1.144 576 L CA 0.202 55.053 54.840 0.017 0.000 0.863 576 L CB 0.447 42.513 42.059 0.011 0.000 1.140 576 L HN 0.766 nan 8.230 nan 0.000 0.463 577 L N 4.945 126.178 121.223 0.016 0.000 2.334 577 L HA 0.204 4.547 4.340 0.006 0.000 0.195 577 L C 0.523 177.433 176.870 0.066 0.000 1.281 577 L CA 0.457 55.318 54.840 0.035 0.000 1.004 577 L CB -0.660 41.422 42.059 0.038 0.000 1.119 577 L HN 0.753 nan 8.230 nan 0.000 0.575 578 H N 0.069 119.119 119.070 -0.033 0.000 2.676 578 H HA 0.657 5.216 4.556 0.006 0.000 0.352 578 H C -1.079 174.216 175.328 -0.055 0.000 1.193 578 H CA -1.165 54.855 56.048 -0.046 0.000 1.243 578 H CB 1.294 31.023 29.762 -0.055 0.000 1.751 578 H HN 0.253 nan 8.280 nan 0.000 0.567 579 K N 0.480 120.258 120.400 -1.037 0.000 2.587 579 K HA 0.397 4.721 4.320 0.006 0.000 0.276 579 K C -1.695 174.446 176.600 -0.764 0.000 0.956 579 K CA -1.097 54.762 56.287 -0.715 0.000 0.857 579 K CB 1.589 33.902 32.500 -0.312 0.000 1.431 579 K HN 0.475 nan 8.250 nan 0.000 0.420 580 E N 1.852 121.765 120.200 -0.478 0.000 2.176 580 E HA 0.397 4.751 4.350 0.006 0.000 0.267 580 E C -1.242 175.205 176.600 -0.255 0.000 0.893 580 E CA -0.770 55.416 56.400 -0.356 0.000 0.761 580 E CB 1.602 31.053 29.700 -0.415 0.000 1.133 580 E HN 0.658 nan 8.360 nan 0.000 0.409 581 M N 6.064 125.546 119.600 -0.196 0.000 3.396 581 M HA 0.312 4.795 4.480 0.006 0.000 0.255 581 M C -1.413 174.792 176.300 -0.157 0.000 1.398 581 M CA -0.389 54.821 55.300 -0.150 0.000 1.554 581 M CB -0.453 32.085 32.600 -0.103 0.000 1.070 581 M HN 0.531 nan 8.290 nan 0.000 0.587 582 L N 0.193 121.289 121.223 -0.212 0.000 2.482 582 L HA 0.502 4.845 4.340 0.006 0.000 0.273 582 L C 1.134 177.922 176.870 -0.137 0.000 1.228 582 L CA -0.252 54.440 54.840 -0.246 0.000 0.827 582 L CB -0.544 41.273 42.059 -0.404 0.000 1.099 582 L HN 0.494 nan 8.230 nan 0.000 0.494 583 G N -0.873 107.877 108.800 -0.084 0.000 2.510 583 G HA2 0.587 4.551 3.960 0.006 0.000 0.280 583 G HA3 0.587 4.551 3.960 0.006 0.000 0.280 583 G C 0.077 174.977 174.900 0.000 0.000 1.386 583 G CA -0.318 44.769 45.100 -0.023 0.000 1.047 583 G HN 1.158 nan 8.290 nan 0.000 0.527 584 G N -1.753 107.058 108.800 0.017 0.000 2.746 584 G HA2 -0.069 3.895 3.960 0.006 0.000 0.685 584 G HA3 -0.069 3.895 3.960 0.006 0.000 0.685 584 G C 0.086 174.995 174.900 0.014 0.000 1.350 584 G CA 0.108 45.225 45.100 0.027 0.000 0.837 584 G HN 0.585 nan 8.290 nan 0.000 0.564 585 E N -0.489 119.726 120.200 0.025 0.000 2.558 585 E HA 0.224 4.578 4.350 0.006 0.000 0.205 585 E C 0.690 177.315 176.600 0.042 0.000 1.006 585 E CA -0.018 56.400 56.400 0.030 0.000 0.961 585 E CB 0.648 30.369 29.700 0.034 0.000 1.044 585 E HN 0.408 nan 8.360 nan 0.000 0.465 586 I N 2.991 123.580 120.570 0.031 0.000 2.441 586 I HA 0.255 4.429 4.170 0.006 0.000 0.295 586 I C 0.542 176.645 176.117 -0.023 0.000 0.994 586 I CA -1.014 60.302 61.300 0.028 0.000 1.144 586 I CB 1.473 39.493 38.000 0.034 0.000 1.314 586 I HN -0.082 nan 8.210 nan 0.000 0.445 587 I N 5.610 126.128 120.570 -0.087 0.000 2.797 587 I HA 0.511 4.685 4.170 0.006 0.000 0.310 587 I C -2.486 173.495 176.117 -0.227 0.000 0.990 587 I CA -2.422 58.725 61.300 -0.254 0.000 1.228 587 I CB 0.812 38.413 38.000 -0.666 0.000 1.406 587 I HN 0.238 nan 8.210 nan 0.000 0.534 588 P HA 0.175 nan 4.420 nan 0.000 0.269 588 P C 0.150 177.338 177.300 -0.186 0.000 1.252 588 P CA -0.089 62.924 63.100 -0.145 0.000 0.780 588 P CB 0.759 32.385 31.700 -0.123 0.000 0.829 589 R N 1.571 122.013 120.500 -0.096 0.000 2.153 589 R HA 0.085 4.429 4.340 0.006 0.000 0.218 589 R C 0.365 176.652 176.300 -0.023 0.000 1.072 589 R CA 0.820 56.882 56.100 -0.062 0.000 0.990 589 R CB 0.263 30.550 30.300 -0.021 0.000 0.889 589 R HN 0.405 nan 8.270 nan 0.000 0.452 590 S N -0.351 115.348 115.700 -0.002 0.000 2.566 590 S HA 0.475 4.949 4.470 0.006 0.000 0.273 590 S C -1.634 172.998 174.600 0.054 0.000 1.157 590 S CA -0.682 57.537 58.200 0.032 0.000 0.938 590 S CB 1.203 64.428 63.200 0.042 0.000 1.087 590 S HN 0.115 nan 8.310 nan 0.000 0.474 591 I N 4.471 125.075 120.570 0.057 0.000 2.533 591 I HA 0.768 4.941 4.170 0.006 0.000 0.290 591 I C -1.681 174.483 176.117 0.079 0.000 1.056 591 I CA -0.600 60.745 61.300 0.075 0.000 1.057 591 I CB 1.648 39.680 38.000 0.054 0.000 1.240 591 I HN 0.587 nan 8.210 nan 0.000 0.423 592 L N 8.400 129.681 121.223 0.097 0.000 2.422 592 L HA 0.710 5.053 4.340 0.006 0.000 0.264 592 L C -1.081 175.847 176.870 0.097 0.000 0.984 592 L CA -0.565 54.325 54.840 0.084 0.000 0.819 592 L CB 1.969 44.072 42.059 0.073 0.000 1.330 592 L HN 0.694 nan 8.230 nan 0.000 0.410 593 M N 2.973 122.620 119.600 0.077 0.000 2.508 593 M HA 0.939 5.423 4.480 0.006 0.000 0.327 593 M C -1.138 175.203 176.300 0.068 0.000 1.160 593 M CA 0.036 55.391 55.300 0.092 0.000 0.980 593 M CB 2.153 34.799 32.600 0.076 0.000 1.693 593 M HN 0.695 nan 8.290 nan 0.000 0.452 594 T N -0.668 113.948 114.554 0.104 0.000 2.648 594 T HA 0.767 5.121 4.350 0.006 0.000 0.304 594 T C -0.684 174.058 174.700 0.071 0.000 1.312 594 T CA -0.725 61.390 62.100 0.025 0.000 1.023 594 T CB 1.884 70.717 68.868 -0.058 0.000 1.612 594 T HN 0.797 nan 8.240 nan 0.000 0.487 595 T N -0.657 113.842 114.554 -0.092 0.000 2.769 595 T HA 0.692 5.046 4.350 0.006 0.000 0.306 595 T C -1.037 173.509 174.700 -0.258 0.000 1.400 595 T CA -0.511 61.545 62.100 -0.072 0.000 1.007 595 T CB 1.901 70.647 68.868 -0.203 0.000 1.392 595 T HN 0.591 nan 8.240 nan 0.000 0.500 596 F N 0.171 120.126 119.950 0.008 0.000 1.964 596 F HA 0.281 4.812 4.527 0.006 0.000 0.248 596 F C 1.493 177.294 175.800 0.002 0.000 1.051 596 F CA -0.245 57.738 58.000 -0.028 0.000 1.221 596 F CB 0.618 39.577 39.000 -0.070 0.000 1.497 596 F HN 0.578 nan 8.300 nan 0.000 0.653 597 E N -1.477 118.874 120.200 0.251 0.000 3.293 597 E HA 0.254 4.608 4.350 0.006 0.000 0.218 597 E C 0.013 176.703 176.600 0.150 0.000 1.112 597 E CA 0.319 56.820 56.400 0.169 0.000 1.642 597 E CB 0.460 30.273 29.700 0.187 0.000 1.630 597 E HN -0.056 nan 8.360 nan 0.000 0.820 598 S N 0.249 116.094 115.700 0.241 0.000 2.399 598 S HA 0.689 5.162 4.470 0.006 0.000 0.198 598 S C -0.845 173.950 174.600 0.325 0.000 1.294 598 S CA -0.227 58.118 58.200 0.243 0.000 1.237 598 S CB 0.823 64.152 63.200 0.215 0.000 1.286 598 S HN 0.159 nan 8.310 nan 0.000 0.404 599 S N 1.221 116.977 115.700 0.095 0.000 2.710 599 S HA 0.311 4.784 4.470 0.006 0.000 0.274 599 S C -2.311 172.098 174.600 -0.319 0.000 1.029 599 S CA -0.640 57.510 58.200 -0.084 0.000 0.864 599 S CB 0.674 63.726 63.200 -0.246 0.000 1.103 599 S HN 0.528 nan 8.310 nan 0.000 0.460 600 H N 1.148 120.078 119.070 -0.234 0.000 2.538 600 H HA 0.513 5.073 4.556 0.006 0.000 0.353 600 H C -1.452 173.715 175.328 -0.269 0.000 1.109 600 H CA -0.209 55.770 56.048 -0.115 0.000 1.192 600 H CB 1.303 31.042 29.762 -0.038 0.000 1.555 600 H HN 0.538 nan 8.280 nan 0.000 0.518 601 Y N 1.444 121.815 120.300 0.119 0.000 2.446 601 Y HA 0.341 4.895 4.550 0.006 0.000 0.345 601 Y C -0.287 175.657 175.900 0.074 0.000 0.984 601 Y CA -0.906 57.223 58.100 0.048 0.000 1.058 601 Y CB 2.331 40.771 38.460 -0.033 0.000 1.220 601 Y HN 0.418 nan 8.280 nan 0.000 0.455 602 L N 4.408 125.792 121.223 0.269 0.000 2.362 602 L HA 0.829 5.173 4.340 0.006 0.000 0.275 602 L C -2.096 174.958 176.870 0.307 0.000 0.998 602 L CA -0.627 54.367 54.840 0.257 0.000 0.820 602 L CB 1.030 43.241 42.059 0.253 0.000 1.270 602 L HN 0.567 nan 8.230 nan 0.000 0.415 603 L N 5.150 126.519 121.223 0.242 0.000 2.388 603 L HA 0.677 5.021 4.340 0.006 0.000 0.264 603 L C -0.967 176.043 176.870 0.233 0.000 0.998 603 L CA -0.405 54.586 54.840 0.253 0.000 0.817 603 L CB 1.963 44.129 42.059 0.178 0.000 1.338 603 L HN 0.689 nan 8.230 nan 0.000 0.414 604 C N 2.049 121.509 119.300 0.267 0.000 2.522 604 C HA 0.872 5.336 4.460 0.006 0.000 0.344 604 C C 0.089 175.217 174.990 0.231 0.000 1.104 604 C CA -0.519 58.640 59.018 0.236 0.000 1.317 604 C CB -0.050 27.851 27.740 0.268 0.000 1.896 604 C HN 0.984 nan 8.230 nan 0.000 0.443 605 A N 6.320 129.223 122.820 0.139 0.000 2.316 605 A HA 0.780 5.104 4.320 0.006 0.000 0.284 605 A C -0.563 177.073 177.584 0.087 0.000 1.115 605 A CA -0.275 51.820 52.037 0.096 0.000 0.812 605 A CB 0.498 19.526 19.000 0.046 0.000 1.064 605 A HN 0.925 nan 8.150 nan 0.000 0.489 606 L N 1.293 122.564 121.223 0.081 0.000 2.304 606 L HA 0.458 4.802 4.340 0.006 0.000 0.268 606 L C 1.661 178.541 176.870 0.018 0.000 1.010 606 L CA -0.404 54.472 54.840 0.060 0.000 0.813 606 L CB 1.686 43.818 42.059 0.121 0.000 1.315 606 L HN 0.901 nan 8.230 nan 0.000 0.445 607 G N -0.346 108.459 108.800 0.007 0.000 2.534 607 G HA2 -0.194 3.770 3.960 0.006 0.000 0.217 607 G HA3 -0.194 3.770 3.960 0.006 0.000 0.217 607 G C 0.778 175.682 174.900 0.007 0.000 1.128 607 G CA 0.676 45.779 45.100 0.005 0.000 0.784 607 G HN 0.832 nan 8.290 nan 0.000 0.542 608 D N -1.102 119.305 120.400 0.012 0.000 2.249 608 D HA 0.228 4.872 4.640 0.006 0.000 0.205 608 D C 1.789 178.082 176.300 -0.013 0.000 0.962 608 D CA 1.101 55.105 54.000 0.006 0.000 0.860 608 D CB -0.300 40.511 40.800 0.018 0.000 0.955 608 D HN 0.428 nan 8.370 nan 0.000 0.505 609 G N -0.656 108.131 108.800 -0.022 0.000 2.336 609 G HA2 0.027 3.990 3.960 0.006 0.000 0.194 609 G HA3 0.027 3.990 3.960 0.006 0.000 0.194 609 G C 0.360 175.222 174.900 -0.064 0.000 0.999 609 G CA -0.030 45.043 45.100 -0.045 0.000 0.669 609 G HN 0.714 nan 8.290 nan 0.000 0.482 610 A N 0.265 123.044 122.820 -0.068 0.000 2.302 610 A HA 0.869 5.193 4.320 0.006 0.000 0.285 610 A C -0.080 177.397 177.584 -0.178 0.000 1.105 610 A CA -0.096 51.857 52.037 -0.141 0.000 0.816 610 A CB 1.183 20.076 19.000 -0.178 0.000 1.067 610 A HN 1.136 nan 8.150 nan 0.000 0.489 611 L N 0.394 121.465 121.223 -0.253 0.000 2.303 611 L HA 0.865 5.208 4.340 0.006 0.000 0.266 611 L C -1.613 174.939 176.870 -0.530 0.000 1.011 611 L CA -0.801 53.929 54.840 -0.184 0.000 0.818 611 L CB 1.787 43.860 42.059 0.024 0.000 1.326 611 L HN 0.685 nan 8.230 nan 0.000 0.435 612 F N 1.884 121.863 119.950 0.048 0.000 2.556 612 F HA 0.426 4.957 4.527 0.006 0.000 0.314 612 F C -0.772 174.969 175.800 -0.099 0.000 1.106 612 F CA -0.653 57.289 58.000 -0.097 0.000 0.911 612 F CB 1.562 40.645 39.000 0.137 0.000 1.190 612 F HN 0.254 nan 8.300 nan 0.000 0.448 613 Y N 2.642 122.728 120.300 -0.358 0.000 2.485 613 Y HA 0.867 5.421 4.550 0.006 0.000 0.345 613 Y C -2.155 173.393 175.900 -0.587 0.000 0.998 613 Y CA -2.962 55.009 58.100 -0.214 0.000 1.059 613 Y CB 1.277 39.660 38.460 -0.127 0.000 1.234 613 Y HN 0.493 nan 8.280 nan 0.000 0.461 614 F N 1.189 121.725 119.950 0.976 0.000 2.664 614 F HA 0.747 5.278 4.527 0.006 0.000 0.317 614 F C 0.286 176.432 175.800 0.576 0.000 1.108 614 F CA -1.095 57.237 58.000 0.554 0.000 0.957 614 F CB 2.201 41.347 39.000 0.244 0.000 1.365 614 F HN 0.810 nan 8.300 nan 0.000 0.475 615 G N 1.390 110.523 108.800 0.554 0.000 2.368 615 G HA2 0.570 4.534 3.960 0.006 0.000 0.320 615 G HA3 0.570 4.534 3.960 0.006 0.000 0.320 615 G C -1.660 173.328 174.900 0.147 0.000 1.158 615 G CA -0.414 44.838 45.100 0.254 0.000 0.912 615 G HN 0.567 nan 8.290 nan 0.000 0.456 616 L N 1.825 123.096 121.223 0.081 0.000 2.416 616 L HA 0.673 5.017 4.340 0.006 0.000 0.263 616 L C -0.574 176.309 176.870 0.021 0.000 1.065 616 L CA -0.954 53.925 54.840 0.066 0.000 0.798 616 L CB 1.635 43.745 42.059 0.085 0.000 1.267 616 L HN 0.452 nan 8.230 nan 0.000 0.467 617 N N 3.078 121.770 118.700 -0.013 0.000 2.581 617 N HA 0.248 4.991 4.740 0.006 0.000 0.279 617 N C 0.543 175.982 175.510 -0.119 0.000 1.124 617 N CA -0.203 52.812 53.050 -0.058 0.000 0.833 617 N CB 1.465 39.930 38.487 -0.037 0.000 1.338 617 N HN 0.761 nan 8.380 nan 0.000 0.533 618 I N -1.525 118.886 120.570 -0.265 0.000 3.055 618 I HA -0.219 3.955 4.170 0.006 0.000 0.277 618 I C 1.100 177.122 176.117 -0.158 0.000 1.306 618 I CA 1.281 62.413 61.300 -0.280 0.000 1.426 618 I CB -0.140 37.554 38.000 -0.509 0.000 1.081 618 I HN 0.295 nan 8.210 nan 0.000 0.502 619 E N 1.318 121.449 120.200 -0.116 0.000 2.329 619 E HA -0.024 4.330 4.350 0.006 0.000 0.189 619 E C 2.168 178.737 176.600 -0.052 0.000 0.997 619 E CA 1.367 57.724 56.400 -0.071 0.000 1.062 619 E CB -0.779 28.887 29.700 -0.056 0.000 1.260 619 E HN 0.500 nan 8.360 nan 0.000 0.490 620 T N -0.749 113.778 114.554 -0.045 0.000 2.814 620 T HA 0.193 4.547 4.350 0.006 0.000 0.254 620 T C 1.277 175.960 174.700 -0.029 0.000 1.037 620 T CA 1.304 63.383 62.100 -0.035 0.000 1.143 620 T CB -0.424 68.422 68.868 -0.035 0.000 0.866 620 T HN 0.478 nan 8.240 nan 0.000 0.431 621 G N 1.754 110.537 108.800 -0.027 0.000 2.636 621 G HA2 0.108 4.072 3.960 0.006 0.000 0.261 621 G HA3 0.108 4.072 3.960 0.006 0.000 0.261 621 G C -0.744 174.156 174.900 0.001 0.000 1.018 621 G CA 0.012 45.108 45.100 -0.006 0.000 1.308 621 G HN 0.678 nan 8.290 nan 0.000 0.514 622 L N 0.981 122.187 121.223 -0.028 0.000 2.309 622 L HA 0.848 5.191 4.340 0.006 0.000 0.240 622 L C 0.653 177.429 176.870 -0.157 0.000 1.136 622 L CA -1.232 53.517 54.840 -0.153 0.000 0.985 622 L CB -0.068 41.857 42.059 -0.223 0.000 1.572 622 L HN 0.515 nan 8.230 nan 0.000 0.426 623 L N -0.313 120.626 121.223 -0.474 0.000 2.456 623 L HA 0.474 4.818 4.340 0.006 0.000 0.246 623 L C 0.747 177.596 176.870 -0.034 0.000 1.238 623 L CA 1.461 56.168 54.840 -0.221 0.000 0.826 623 L CB 0.746 42.632 42.059 -0.288 0.000 1.150 623 L HN 0.907 nan 8.230 nan 0.000 0.514 624 S N -1.419 114.335 115.700 0.090 0.000 4.569 624 S HA 0.470 4.944 4.470 0.006 0.000 0.161 624 S C -1.139 173.601 174.600 0.233 0.000 1.104 624 S CA -0.360 57.962 58.200 0.203 0.000 1.153 624 S CB 0.231 63.644 63.200 0.356 0.000 2.018 624 S HN 0.571 nan 8.310 nan 0.000 0.800 625 D N 1.059 121.697 120.400 0.397 0.000 2.788 625 D HA 0.470 5.114 4.640 0.006 0.000 0.247 625 D C -1.261 175.196 176.300 0.262 0.000 1.236 625 D CA -0.199 53.905 54.000 0.174 0.000 0.898 625 D CB 1.881 42.612 40.800 -0.115 0.000 1.401 625 D HN 0.389 nan 8.370 nan 0.000 0.549 626 R N 2.208 122.952 120.500 0.407 0.000 2.204 626 R HA 0.374 4.718 4.340 0.006 0.000 0.341 626 R C -0.650 175.723 176.300 0.122 0.000 1.035 626 R CA -0.325 56.090 56.100 0.526 0.000 0.887 626 R CB 0.163 30.737 30.300 0.457 0.000 1.114 626 R HN 0.248 nan 8.270 nan 0.000 0.473 627 K N 4.371 124.741 120.400 -0.049 0.000 2.984 627 K HA 0.089 4.412 4.320 0.006 0.000 0.211 627 K C -0.972 175.538 176.600 -0.150 0.000 1.174 627 K CA -0.576 55.657 56.287 -0.091 0.000 0.978 627 K CB 1.479 33.859 32.500 -0.200 0.000 1.212 627 K HN 0.435 nan 8.250 nan 0.000 0.589 628 K N 1.663 122.014 120.400 -0.081 0.000 2.580 628 K HA 0.006 4.329 4.320 0.006 0.000 0.278 628 K C 0.209 176.601 176.600 -0.347 0.000 0.960 628 K CA 0.115 56.053 56.287 -0.583 0.000 0.988 628 K CB 0.491 32.663 32.500 -0.546 0.000 0.887 628 K HN 0.308 nan 8.250 nan 0.000 0.509 629 V N -0.634 119.059 119.914 -0.369 0.000 3.158 629 V HA 0.368 4.492 4.120 0.006 0.000 0.315 629 V C 0.734 176.764 176.094 -0.107 0.000 1.148 629 V CA -0.278 61.955 62.300 -0.112 0.000 1.042 629 V CB 1.198 33.085 31.823 0.107 0.000 1.101 629 V HN 0.986 nan 8.190 nan 0.000 0.448 630 T N -0.500 114.034 114.554 -0.033 0.000 3.207 630 T HA 0.373 4.727 4.350 0.006 0.000 0.229 630 T C 0.886 175.539 174.700 -0.078 0.000 0.999 630 T CA 1.348 63.417 62.100 -0.051 0.000 1.386 630 T CB -0.705 68.145 68.868 -0.030 0.000 1.130 630 T HN 0.864 nan 8.240 nan 0.000 0.435 631 L N -0.733 120.429 121.223 -0.102 0.000 7.836 631 L HA -0.127 4.217 4.340 0.006 0.000 0.064 631 L C 1.058 177.859 176.870 -0.115 0.000 1.275 631 L CA 0.213 54.963 54.840 -0.151 0.000 1.424 631 L CB -1.870 40.091 42.059 -0.163 0.000 2.916 631 L HN 0.610 nan 8.230 nan 0.000 1.197 632 G N -0.935 107.796 108.800 -0.115 0.000 2.744 632 G HA2 0.322 4.286 3.960 0.006 0.000 0.257 632 G HA3 0.322 4.286 3.960 0.006 0.000 0.257 632 G C 0.917 175.777 174.900 -0.066 0.000 1.244 632 G CA 0.435 45.481 45.100 -0.089 0.000 0.916 632 G HN 1.005 nan 8.290 nan 0.000 0.564 633 T N -2.746 111.776 114.554 -0.053 0.000 3.086 633 T HA 0.246 4.599 4.350 0.006 0.000 0.250 633 T C 0.607 175.287 174.700 -0.033 0.000 1.074 633 T CA 0.225 62.303 62.100 -0.037 0.000 0.988 633 T CB 0.167 69.017 68.868 -0.030 0.000 0.988 633 T HN 0.322 nan 8.240 nan 0.000 0.530 634 Q N 1.918 121.691 119.800 -0.045 0.000 2.351 634 Q HA 0.445 4.788 4.340 0.006 0.000 0.273 634 Q C -2.900 173.072 176.000 -0.047 0.000 1.077 634 Q CA -2.803 52.974 55.803 -0.043 0.000 0.843 634 Q CB 1.742 30.447 28.738 -0.055 0.000 1.367 634 Q HN 0.131 nan 8.270 nan 0.000 0.449 635 P HA -0.035 nan 4.420 nan 0.000 0.261 635 P C -0.552 176.715 177.300 -0.054 0.000 1.183 635 P CA 0.375 63.454 63.100 -0.034 0.000 0.761 635 P CB 0.112 31.800 31.700 -0.021 0.000 0.785 636 T N 2.902 117.430 114.554 -0.043 0.000 2.856 636 T HA 0.322 4.676 4.350 0.006 0.000 0.292 636 T C 0.298 174.980 174.700 -0.030 0.000 0.980 636 T CA -0.339 61.731 62.100 -0.050 0.000 1.091 636 T CB 0.647 69.485 68.868 -0.050 0.000 0.936 636 T HN 0.103 nan 8.240 nan 0.000 0.503 637 V N 4.512 124.404 119.914 -0.037 0.000 2.448 637 V HA 0.457 4.581 4.120 0.006 0.000 0.295 637 V C -0.322 175.794 176.094 0.036 0.000 1.025 637 V CA -0.915 61.381 62.300 -0.007 0.000 0.859 637 V CB 1.311 33.104 31.823 -0.050 0.000 0.988 637 V HN 0.709 nan 8.190 nan 0.000 0.431 638 L N 5.351 126.607 121.223 0.055 0.000 2.287 638 L HA 0.802 5.145 4.340 0.006 0.000 0.287 638 L C -0.117 176.796 176.870 0.071 0.000 1.022 638 L CA -0.269 54.617 54.840 0.077 0.000 0.814 638 L CB 1.557 43.658 42.059 0.070 0.000 1.217 638 L HN 0.654 nan 8.230 nan 0.000 0.420 639 R N 1.305 121.859 120.500 0.090 0.000 2.836 639 R HA 0.654 4.998 4.340 0.006 0.000 0.269 639 R C -1.122 175.208 176.300 0.049 0.000 1.010 639 R CA -0.387 55.740 56.100 0.045 0.000 0.930 639 R CB 2.205 32.497 30.300 -0.012 0.000 1.218 639 R HN 0.464 nan 8.270 nan 0.000 0.473 640 T N 2.942 117.477 114.554 -0.031 0.000 2.859 640 T HA 0.621 4.974 4.350 0.006 0.000 0.281 640 T C -1.083 173.556 174.700 -0.102 0.000 1.005 640 T CA -0.271 61.730 62.100 -0.164 0.000 1.025 640 T CB 0.277 68.999 68.868 -0.244 0.000 0.977 640 T HN 0.366 nan 8.240 nan 0.000 0.458 641 F N 0.681 120.591 119.950 -0.067 0.000 2.575 641 F HA 0.753 5.284 4.527 0.006 0.000 0.330 641 F C 0.003 175.772 175.800 -0.052 0.000 1.056 641 F CA -1.778 56.180 58.000 -0.070 0.000 0.964 641 F CB 0.971 39.934 39.000 -0.061 0.000 1.258 641 F HN 0.356 nan 8.300 nan 0.000 0.484 642 R N 1.435 122.071 120.500 0.226 0.000 2.265 642 R HA 0.576 4.920 4.340 0.006 0.000 0.314 642 R C -0.466 176.001 176.300 0.278 0.000 1.053 642 R CA 0.200 56.399 56.100 0.166 0.000 0.931 642 R CB 0.817 31.186 30.300 0.114 0.000 1.024 642 R HN 1.102 nan 8.270 nan 0.000 0.457 643 S N 4.750 120.593 115.700 0.238 0.000 4.353 643 S HA 0.302 4.776 4.470 0.006 0.000 0.229 643 S C 1.048 175.758 174.600 0.183 0.000 1.098 643 S CA -0.509 57.851 58.200 0.266 0.000 1.695 643 S CB -0.369 63.081 63.200 0.417 0.000 1.097 643 S HN 0.557 nan 8.310 nan 0.000 0.745 644 L N 0.743 122.085 121.223 0.197 0.000 2.399 644 L HA 0.401 4.745 4.340 0.006 0.000 0.206 644 L C 2.116 179.056 176.870 0.116 0.000 1.261 644 L CA 0.811 55.740 54.840 0.148 0.000 2.863 644 L CB -1.105 41.048 42.059 0.156 0.000 2.728 644 L HN 0.774 nan 8.230 nan 0.000 1.097 645 S N -1.646 114.121 115.700 0.112 0.000 2.497 645 S HA 0.030 4.504 4.470 0.006 0.000 0.218 645 S C 1.122 175.776 174.600 0.090 0.000 1.023 645 S CA 0.227 58.480 58.200 0.089 0.000 0.913 645 S CB -0.597 62.652 63.200 0.082 0.000 0.800 645 S HN 0.781 nan 8.310 nan 0.000 0.505 646 T N 1.976 116.607 114.554 0.128 0.000 3.253 646 T HA 0.464 4.818 4.350 0.006 0.000 0.391 646 T C 0.124 174.904 174.700 0.135 0.000 1.527 646 T CA -0.295 61.895 62.100 0.150 0.000 1.268 646 T CB 0.007 69.010 68.868 0.224 0.000 1.126 646 T HN 0.360 nan 8.240 nan 0.000 0.620 647 T N 2.292 116.836 114.554 -0.018 0.000 2.903 647 T HA 0.303 4.657 4.350 0.006 0.000 0.314 647 T C 0.067 174.517 174.700 -0.415 0.000 1.078 647 T CA -0.442 61.560 62.100 -0.162 0.000 1.114 647 T CB 0.385 69.134 68.868 -0.198 0.000 0.987 647 T HN 0.670 nan 8.240 nan 0.000 0.548 648 N N 0.559 118.770 118.700 -0.816 0.000 3.038 648 N HA 0.525 5.268 4.740 0.006 0.000 0.307 648 N C -1.476 173.321 175.510 -1.189 0.000 1.441 648 N CA -0.756 51.802 53.050 -0.820 0.000 0.772 648 N CB 1.940 40.203 38.487 -0.375 0.000 1.651 648 N HN 0.489 nan 8.380 nan 0.000 0.593 649 V N 1.400 121.043 119.914 -0.450 0.000 2.357 649 V HA 0.340 4.464 4.120 0.006 0.000 0.284 649 V C -0.731 175.504 176.094 0.235 0.000 1.018 649 V CA -0.699 61.523 62.300 -0.130 0.000 0.841 649 V CB 0.767 32.580 31.823 -0.016 0.000 0.991 649 V HN 0.512 nan 8.190 nan 0.000 0.437 650 F N 4.134 124.250 119.950 0.276 0.000 2.396 650 F HA 0.692 5.223 4.527 0.006 0.000 0.343 650 F C 0.526 176.341 175.800 0.023 0.000 1.104 650 F CA -0.333 57.786 58.000 0.199 0.000 1.161 650 F CB 0.996 40.115 39.000 0.198 0.000 1.146 650 F HN 0.543 nan 8.300 nan 0.000 0.522 651 A N 5.672 128.388 122.820 -0.173 0.000 2.273 651 A HA 0.534 4.858 4.320 0.006 0.000 0.315 651 A C -1.160 176.399 177.584 -0.041 0.000 1.256 651 A CA -0.555 51.429 52.037 -0.089 0.000 0.851 651 A CB -0.063 18.790 19.000 -0.245 0.000 1.172 651 A HN 0.842 nan 8.150 nan 0.000 0.508 652 C N 2.409 121.781 119.300 0.120 0.000 2.265 652 C HA 0.769 5.233 4.460 0.006 0.000 0.332 652 C C 1.029 175.986 174.990 -0.056 0.000 1.248 652 C CA -0.232 58.840 59.018 0.091 0.000 1.727 652 C CB -0.632 27.116 27.740 0.013 0.000 2.348 652 C HN 0.886 nan 8.230 nan 0.000 0.519 653 S N 0.615 116.267 115.700 -0.079 0.000 2.840 653 S HA 0.338 4.812 4.470 0.006 0.000 0.307 653 S C 0.690 175.234 174.600 -0.094 0.000 1.180 653 S CA -0.425 57.715 58.200 -0.100 0.000 0.846 653 S CB 1.127 64.258 63.200 -0.115 0.000 1.233 653 S HN 0.851 nan 8.310 nan 0.000 0.548 654 D N 0.846 121.194 120.400 -0.087 0.000 2.123 654 D HA -0.153 4.491 4.640 0.006 0.000 0.196 654 D C 0.638 176.890 176.300 -0.080 0.000 0.992 654 D CA 1.016 54.971 54.000 -0.076 0.000 0.833 654 D CB -0.119 40.643 40.800 -0.063 0.000 0.954 654 D HN 0.200 nan 8.370 nan 0.000 0.455 655 R N 2.044 122.486 120.500 -0.097 0.000 2.408 655 R HA 0.223 4.567 4.340 0.006 0.000 0.308 655 R C -2.346 173.859 176.300 -0.158 0.000 1.210 655 R CA -1.554 54.476 56.100 -0.117 0.000 1.115 655 R CB 0.874 31.101 30.300 -0.122 0.000 1.127 655 R HN 0.143 nan 8.270 nan 0.000 0.523 656 P HA 0.132 nan 4.420 nan 0.000 0.271 656 P C -0.933 176.152 177.300 -0.360 0.000 1.218 656 P CA -0.077 62.896 63.100 -0.212 0.000 0.780 656 P CB 1.487 33.134 31.700 -0.089 0.000 0.901 657 T N 0.712 114.912 114.554 -0.591 0.000 2.982 657 T HA 0.303 4.656 4.350 0.006 0.000 0.321 657 T C -0.544 173.725 174.700 -0.718 0.000 1.229 657 T CA -0.403 61.357 62.100 -0.568 0.000 1.044 657 T CB 1.267 69.823 68.868 -0.520 0.000 1.184 657 T HN 0.070 nan 8.240 nan 0.000 0.477 658 V N 2.788 122.408 119.914 -0.490 0.000 2.713 658 V HA 0.598 4.722 4.120 0.006 0.000 0.307 658 V C -0.436 175.570 176.094 -0.148 0.000 1.052 658 V CA -0.802 61.293 62.300 -0.342 0.000 0.967 658 V CB 1.669 33.336 31.823 -0.260 0.000 1.019 658 V HN 0.764 nan 8.190 nan 0.000 0.459 659 I N 3.817 124.380 120.570 -0.012 0.000 2.464 659 I HA 0.353 4.527 4.170 0.006 0.000 0.277 659 I C -0.475 175.697 176.117 0.092 0.000 1.040 659 I CA -0.065 61.314 61.300 0.131 0.000 1.153 659 I CB 0.535 38.641 38.000 0.177 0.000 1.274 659 I HN 0.523 nan 8.210 nan 0.000 0.469 660 Y N 2.766 123.114 120.300 0.080 0.000 3.137 660 Y HA 0.418 4.971 4.550 0.006 0.000 0.486 660 Y C 0.900 176.649 175.900 -0.250 0.000 1.249 660 Y CA 0.044 58.168 58.100 0.040 0.000 1.949 660 Y CB 0.583 39.083 38.460 0.068 0.000 1.622 660 Y HN 0.328 nan 8.280 nan 0.000 0.721 661 S N -0.979 114.740 115.700 0.032 0.000 2.603 661 S HA 0.269 4.743 4.470 0.006 0.000 0.274 661 S C -0.464 174.081 174.600 -0.092 0.000 1.168 661 S CA -0.779 57.296 58.200 -0.209 0.000 0.963 661 S CB 1.762 64.799 63.200 -0.272 0.000 1.078 661 S HN 0.479 nan 8.310 nan 0.000 0.477 662 S N 2.194 117.829 115.700 -0.108 0.000 2.646 662 S HA 0.121 4.595 4.470 0.006 0.000 0.192 662 S C 1.659 176.247 174.600 -0.020 0.000 1.218 662 S CA 0.835 59.005 58.200 -0.050 0.000 1.545 662 S CB -0.397 62.775 63.200 -0.047 0.000 0.737 662 S HN 0.823 nan 8.310 nan 0.000 0.467 663 N N 0.639 119.339 118.700 0.001 0.000 2.084 663 N HA -0.118 4.626 4.740 0.006 0.000 0.190 663 N C 1.237 176.810 175.510 0.105 0.000 1.030 663 N CA 2.048 55.120 53.050 0.036 0.000 0.849 663 N CB -0.277 38.219 38.487 0.016 0.000 1.012 663 N HN 0.704 nan 8.380 nan 0.000 0.423 664 H N -1.453 117.610 119.070 -0.011 0.000 3.474 664 H HA 0.296 4.856 4.556 0.006 0.000 0.259 664 H C -0.158 175.169 175.328 -0.002 0.000 1.164 664 H CA -0.327 55.724 56.048 0.006 0.000 1.078 664 H CB 0.491 30.271 29.762 0.030 0.000 1.957 664 H HN 0.011 nan 8.280 nan 0.000 0.765 665 K N 0.713 121.059 120.400 -0.090 0.000 2.851 665 K HA 0.460 4.783 4.320 0.006 0.000 0.321 665 K C -0.380 176.039 176.600 -0.302 0.000 0.977 665 K CA -0.405 55.803 56.287 -0.132 0.000 1.366 665 K CB 0.640 33.103 32.500 -0.060 0.000 1.524 665 K HN 0.025 nan 8.250 nan 0.000 0.683 666 L N 0.963 122.033 121.223 -0.254 0.000 2.580 666 L HA 0.262 4.606 4.340 0.006 0.000 0.266 666 L C -0.759 176.038 176.870 -0.123 0.000 0.955 666 L CA -0.815 53.832 54.840 -0.321 0.000 0.886 666 L CB 1.878 43.684 42.059 -0.421 0.000 1.263 666 L HN 0.158 nan 8.230 nan 0.000 0.406 667 V N 1.956 121.873 119.914 0.005 0.000 2.924 667 V HA 0.173 4.296 4.120 0.006 0.000 0.305 667 V C -0.299 175.992 176.094 0.328 0.000 1.073 667 V CA 0.249 62.628 62.300 0.133 0.000 1.098 667 V CB 1.060 32.982 31.823 0.165 0.000 1.000 667 V HN 0.496 nan 8.190 nan 0.000 0.484 668 F N 1.680 121.628 119.950 -0.003 0.000 2.564 668 F HA 0.414 4.944 4.527 0.006 0.000 0.329 668 F C 0.516 176.296 175.800 -0.034 0.000 1.458 668 F CA -0.496 57.488 58.000 -0.027 0.000 1.117 668 F CB 0.714 39.692 39.000 -0.037 0.000 1.383 668 F HN 0.425 nan 8.300 nan 0.000 0.571 669 S N 0.818 116.547 115.700 0.050 0.000 2.578 669 S HA 0.332 4.806 4.470 0.006 0.000 0.283 669 S C 0.154 174.689 174.600 -0.110 0.000 1.195 669 S CA -0.753 57.444 58.200 -0.005 0.000 1.050 669 S CB 0.908 64.142 63.200 0.056 0.000 1.012 669 S HN 0.258 nan 8.310 nan 0.000 0.511 670 N N 1.342 119.976 118.700 -0.109 0.000 2.353 670 N HA 0.059 4.803 4.740 0.006 0.000 0.248 670 N C -0.681 174.750 175.510 -0.131 0.000 1.240 670 N CA 0.316 53.284 53.050 -0.136 0.000 0.862 670 N CB 0.422 38.849 38.487 -0.101 0.000 1.086 670 N HN 0.249 nan 8.380 nan 0.000 0.453 671 V N 2.583 122.392 119.914 -0.174 0.000 2.459 671 V HA 0.178 4.301 4.120 0.006 0.000 0.295 671 V C 0.372 176.407 176.094 -0.099 0.000 1.029 671 V CA -0.985 61.225 62.300 -0.151 0.000 0.874 671 V CB 1.503 33.188 31.823 -0.230 0.000 0.985 671 V HN 0.498 nan 8.190 nan 0.000 0.438 672 N N 5.564 124.222 118.700 -0.070 0.000 3.103 672 N HA 0.360 5.104 4.740 0.006 0.000 0.305 672 N C -0.761 174.725 175.510 -0.040 0.000 1.232 672 N CA 0.267 53.288 53.050 -0.048 0.000 1.190 672 N CB -0.033 38.436 38.487 -0.030 0.000 1.461 672 N HN 0.539 nan 8.380 nan 0.000 0.538 673 L N -0.401 120.796 121.223 -0.043 0.000 2.376 673 L HA 0.353 4.697 4.340 0.006 0.000 0.258 673 L C 1.421 178.270 176.870 -0.036 0.000 1.013 673 L CA -0.740 54.081 54.840 -0.032 0.000 0.822 673 L CB 2.367 44.414 42.059 -0.020 0.000 1.388 673 L HN -0.016 nan 8.230 nan 0.000 0.413 674 K N 0.439 120.820 120.400 -0.031 0.000 2.031 674 K HA 0.050 4.374 4.320 0.006 0.000 0.205 674 K C 0.102 176.679 176.600 -0.039 0.000 1.049 674 K CA 1.350 57.618 56.287 -0.032 0.000 0.939 674 K CB 0.414 32.899 32.500 -0.025 0.000 0.717 674 K HN 0.642 nan 8.250 nan 0.000 0.438 675 E N -0.586 119.590 120.200 -0.040 0.000 2.400 675 E HA 0.235 4.589 4.350 0.006 0.000 0.285 675 E C -2.060 174.510 176.600 -0.049 0.000 1.005 675 E CA -0.682 55.688 56.400 -0.049 0.000 0.816 675 E CB 2.107 31.774 29.700 -0.055 0.000 1.220 675 E HN -0.079 nan 8.360 nan 0.000 0.426 676 V N 4.106 123.991 119.914 -0.049 0.000 2.709 676 V HA 0.344 4.468 4.120 0.006 0.000 0.308 676 V C -0.091 175.917 176.094 -0.143 0.000 1.062 676 V CA -0.689 61.576 62.300 -0.058 0.000 0.901 676 V CB 1.853 33.710 31.823 0.058 0.000 1.003 676 V HN 0.723 nan 8.190 nan 0.000 0.425 677 N N 2.061 120.614 118.700 -0.246 0.000 2.414 677 N HA 0.206 4.950 4.740 0.006 0.000 0.189 677 N C -0.537 174.434 175.510 -0.899 0.000 1.039 677 N CA 1.054 53.763 53.050 -0.568 0.000 0.889 677 N CB 0.207 38.370 38.487 -0.539 0.000 1.085 677 N HN 0.661 nan 8.380 nan 0.000 0.442 678 Y N -0.789 119.416 120.300 -0.157 0.000 2.609 678 Y HA 0.649 5.203 4.550 0.006 0.000 0.342 678 Y C -0.054 175.667 175.900 -0.299 0.000 1.058 678 Y CA -1.149 56.816 58.100 -0.224 0.000 1.055 678 Y CB 1.899 40.196 38.460 -0.272 0.000 1.292 678 Y HN -0.191 nan 8.280 nan 0.000 0.476 679 M N 2.830 122.302 119.600 -0.213 0.000 2.426 679 M HA 0.663 5.147 4.480 0.006 0.000 0.289 679 M C -2.152 173.949 176.300 -0.330 0.000 1.168 679 M CA -0.648 54.420 55.300 -0.386 0.000 0.933 679 M CB 1.446 33.573 32.600 -0.789 0.000 1.750 679 M HN 1.016 nan 8.290 nan 0.000 0.494 680 C N 1.867 120.987 119.300 -0.301 0.000 3.239 680 C HA 0.940 5.404 4.460 0.006 0.000 0.317 680 C C -2.952 171.930 174.990 -0.181 0.000 1.310 680 C CA -1.266 57.618 59.018 -0.224 0.000 1.371 680 C CB 1.626 29.221 27.740 -0.242 0.000 1.714 680 C HN 0.723 nan 8.230 nan 0.000 0.473 681 P HA 0.619 nan 4.420 nan 0.000 0.273 681 P C -0.843 176.375 177.300 -0.137 0.000 1.250 681 P CA -0.068 62.987 63.100 -0.075 0.000 0.793 681 P CB 0.439 32.129 31.700 -0.018 0.000 1.011 682 L N 0.430 121.611 121.223 -0.070 0.000 2.838 682 L HA 0.497 4.840 4.340 0.006 0.000 0.266 682 L C -0.255 176.683 176.870 0.113 0.000 1.040 682 L CA -0.111 54.701 54.840 -0.046 0.000 0.906 682 L CB 2.065 44.098 42.059 -0.043 0.000 1.501 682 L HN 0.230 nan 8.230 nan 0.000 0.407 683 N N -0.844 117.995 118.700 0.232 0.000 1.899 683 N HA 0.100 4.844 4.740 0.006 0.000 0.223 683 N C -0.544 175.097 175.510 0.219 0.000 1.411 683 N CA 0.473 53.673 53.050 0.251 0.000 0.737 683 N CB 0.591 39.260 38.487 0.303 0.000 1.100 683 N HN 0.460 nan 8.380 nan 0.000 0.527 684 S N 1.160 117.007 115.700 0.246 0.000 2.553 684 S HA -0.084 4.390 4.470 0.006 0.000 0.293 684 S C -0.411 174.260 174.600 0.119 0.000 1.296 684 S CA 0.129 58.440 58.200 0.186 0.000 1.046 684 S CB 0.107 63.437 63.200 0.216 0.000 0.810 684 S HN 0.335 nan 8.310 nan 0.000 0.505 685 D N 2.012 122.451 120.400 0.065 0.000 2.441 685 D HA 0.380 5.024 4.640 0.006 0.000 0.243 685 D C 0.913 177.204 176.300 -0.015 0.000 1.257 685 D CA 0.337 54.349 54.000 0.021 0.000 1.027 685 D CB -0.439 40.364 40.800 0.005 0.000 1.084 685 D HN 0.683 nan 8.370 nan 0.000 0.514 686 G N 1.045 109.810 108.800 -0.057 0.000 3.033 686 G HA2 -0.171 3.793 3.960 0.006 0.000 0.208 686 G HA3 -0.171 3.793 3.960 0.006 0.000 0.208 686 G C -0.344 174.283 174.900 -0.455 0.000 1.006 686 G CA -0.647 44.314 45.100 -0.232 0.000 0.808 686 G HN 0.312 nan 8.290 nan 0.000 0.499 687 Y N 1.555 121.899 120.300 0.073 0.000 2.640 687 Y HA 0.412 4.965 4.550 0.006 0.000 0.295 687 Y C -2.616 173.351 175.900 0.113 0.000 1.023 687 Y CA -1.821 56.350 58.100 0.119 0.000 1.163 687 Y CB 1.519 40.051 38.460 0.120 0.000 1.145 687 Y HN 0.106 nan 8.280 nan 0.000 0.609 688 P HA 0.122 nan 4.420 nan 0.000 0.281 688 P C 0.498 177.895 177.300 0.162 0.000 1.281 688 P CA -0.192 63.006 63.100 0.165 0.000 0.811 688 P CB 0.944 32.710 31.700 0.110 0.000 1.154 689 D N -1.335 119.145 120.400 0.134 0.000 2.814 689 D HA -0.189 4.454 4.640 0.006 0.000 0.225 689 D C -0.054 176.305 176.300 0.098 0.000 1.170 689 D CA 0.803 54.872 54.000 0.116 0.000 0.638 689 D CB -0.311 40.554 40.800 0.109 0.000 1.050 689 D HN 0.279 nan 8.370 nan 0.000 0.418 690 S N -1.057 114.701 115.700 0.097 0.000 2.669 690 S HA 0.696 5.170 4.470 0.006 0.000 0.270 690 S C 0.016 174.595 174.600 -0.034 0.000 1.225 690 S CA -0.698 57.527 58.200 0.041 0.000 0.991 690 S CB 1.185 64.435 63.200 0.084 0.000 0.987 690 S HN 0.259 nan 8.310 nan 0.000 0.552 691 L N 1.677 122.831 121.223 -0.115 0.000 2.370 691 L HA 0.779 5.123 4.340 0.006 0.000 0.266 691 L C -0.251 176.488 176.870 -0.218 0.000 1.002 691 L CA -1.088 53.648 54.840 -0.173 0.000 0.818 691 L CB 1.902 43.822 42.059 -0.232 0.000 1.325 691 L HN 0.738 nan 8.230 nan 0.000 0.418 692 A N 2.934 125.613 122.820 -0.235 0.000 2.340 692 A HA 0.954 5.278 4.320 0.006 0.000 0.331 692 A C -1.107 176.313 177.584 -0.272 0.000 1.140 692 A CA -0.403 51.493 52.037 -0.234 0.000 0.801 692 A CB 1.269 20.149 19.000 -0.199 0.000 1.234 692 A HN 0.514 nan 8.150 nan 0.000 0.469 693 L N 0.723 121.806 121.223 -0.233 0.000 2.676 693 L HA 0.625 4.968 4.340 0.006 0.000 0.262 693 L C 0.045 176.828 176.870 -0.144 0.000 0.932 693 L CA 0.105 54.803 54.840 -0.237 0.000 0.932 693 L CB 1.374 43.265 42.059 -0.280 0.000 1.355 693 L HN 0.960 nan 8.230 nan 0.000 0.421 694 A N 2.669 125.432 122.820 -0.094 0.000 2.322 694 A HA 0.997 5.320 4.320 0.006 0.000 0.327 694 A C -0.578 176.978 177.584 -0.046 0.000 1.134 694 A CA -0.412 51.601 52.037 -0.040 0.000 0.831 694 A CB 1.380 20.393 19.000 0.022 0.000 1.288 694 A HN 0.793 nan 8.150 nan 0.000 0.472 695 N N -0.103 118.575 118.700 -0.037 0.000 3.229 695 N HA 0.100 4.844 4.740 0.006 0.000 0.315 695 N C 0.342 175.830 175.510 -0.036 0.000 1.520 695 N CA -0.656 52.365 53.050 -0.049 0.000 0.769 695 N CB 0.237 38.694 38.487 -0.050 0.000 1.766 695 N HN 0.487 nan 8.380 nan 0.000 0.618 696 N N -0.333 118.343 118.700 -0.041 0.000 2.165 696 N HA -0.210 4.534 4.740 0.006 0.000 0.198 696 N C -0.600 174.890 175.510 -0.034 0.000 0.999 696 N CA 2.101 55.129 53.050 -0.035 0.000 0.893 696 N CB -0.179 38.290 38.487 -0.029 0.000 1.025 696 N HN 0.715 nan 8.380 nan 0.000 0.456 697 S N -1.880 113.805 115.700 -0.025 0.000 2.481 697 S HA 0.459 4.932 4.470 0.006 0.000 0.262 697 S C -1.060 173.537 174.600 -0.005 0.000 1.061 697 S CA -0.753 57.440 58.200 -0.013 0.000 1.039 697 S CB 1.323 64.522 63.200 -0.002 0.000 1.170 697 S HN 0.088 nan 8.310 nan 0.000 0.437 698 T N 2.637 117.191 114.554 -0.000 0.000 3.153 698 T HA 0.136 4.490 4.350 0.006 0.000 0.427 698 T C -1.626 173.065 174.700 -0.015 0.000 1.464 698 T CA -0.788 61.311 62.100 -0.003 0.000 1.005 698 T CB 0.208 69.069 68.868 -0.012 0.000 1.594 698 T HN 1.330 nan 8.240 nan 0.000 0.444 699 L N 4.474 125.687 121.223 -0.016 0.000 2.295 699 L HA 0.897 5.240 4.340 0.006 0.000 0.285 699 L C 0.237 177.057 176.870 -0.083 0.000 1.035 699 L CA 0.383 55.194 54.840 -0.048 0.000 0.806 699 L CB 1.453 43.491 42.059 -0.036 0.000 1.214 699 L HN 0.867 nan 8.230 nan 0.000 0.426 700 T N 3.515 117.997 114.554 -0.120 0.000 2.901 700 T HA 0.846 5.200 4.350 0.006 0.000 0.293 700 T C -0.655 173.914 174.700 -0.218 0.000 1.084 700 T CA -0.759 61.249 62.100 -0.153 0.000 1.008 700 T CB 1.897 70.691 68.868 -0.123 0.000 1.170 700 T HN 0.714 nan 8.240 nan 0.000 0.509 701 I N -2.181 118.226 120.570 -0.272 0.000 2.775 701 I HA 0.938 5.112 4.170 0.006 0.000 0.295 701 I C -0.229 175.631 176.117 -0.429 0.000 1.287 701 I CA -0.940 60.165 61.300 -0.324 0.000 1.029 701 I CB 1.206 38.950 38.000 -0.427 0.000 1.282 701 I HN 1.324 nan 8.210 nan 0.000 0.426 702 G N 2.786 111.379 108.800 -0.345 0.000 2.320 702 G HA2 0.509 4.472 3.960 0.006 0.000 0.297 702 G HA3 0.509 4.472 3.960 0.006 0.000 0.297 702 G C -0.862 173.928 174.900 -0.183 0.000 1.344 702 G CA 0.040 44.905 45.100 -0.392 0.000 0.851 702 G HN 1.187 nan 8.290 nan 0.000 0.567 703 T N -2.069 112.423 114.554 -0.104 0.000 2.880 703 T HA 0.797 5.151 4.350 0.006 0.000 0.279 703 T C -0.141 174.435 174.700 -0.205 0.000 0.990 703 T CA -0.721 61.337 62.100 -0.070 0.000 0.938 703 T CB 1.321 70.234 68.868 0.075 0.000 1.206 703 T HN 0.710 nan 8.240 nan 0.000 0.573 704 I N 1.635 122.132 120.570 -0.122 0.000 2.582 704 I HA 0.403 4.577 4.170 0.006 0.000 0.292 704 I C -0.199 175.897 176.117 -0.035 0.000 1.066 704 I CA -0.772 60.447 61.300 -0.135 0.000 1.053 704 I CB 1.893 39.804 38.000 -0.148 0.000 1.241 704 I HN 0.770 nan 8.210 nan 0.000 0.421 705 D N 3.318 123.686 120.400 -0.054 0.000 2.289 705 D HA 0.058 4.702 4.640 0.006 0.000 0.266 705 D C 0.770 177.093 176.300 0.037 0.000 1.243 705 D CA -0.200 53.784 54.000 -0.027 0.000 1.019 705 D CB 0.557 41.285 40.800 -0.120 0.000 1.126 705 D HN 0.522 nan 8.370 nan 0.000 0.541 706 E N -0.840 119.368 120.200 0.013 0.000 4.479 706 E HA -0.026 4.328 4.350 0.006 0.000 0.582 706 E C 0.889 177.420 176.600 -0.115 0.000 0.647 706 E CA 1.105 57.511 56.400 0.010 0.000 3.960 706 E CB 0.050 29.810 29.700 0.100 0.000 2.109 706 E HN 0.439 nan 8.360 nan 0.000 0.296 707 I N -1.885 118.547 120.570 -0.229 0.000 3.864 707 I HA 0.061 4.235 4.170 0.006 0.000 0.270 707 I C -0.393 175.625 176.117 -0.165 0.000 0.836 707 I CA -0.659 60.305 61.300 -0.559 0.000 2.547 707 I CB -0.567 36.937 38.000 -0.825 0.000 1.542 707 I HN 0.319 nan 8.210 nan 0.000 0.494 708 Q N 3.376 123.101 119.800 -0.125 0.000 2.961 708 Q HA -0.258 4.085 4.340 0.006 0.000 0.387 708 Q C 0.611 176.618 176.000 0.012 0.000 1.356 708 Q CA 0.820 56.605 55.803 -0.030 0.000 0.898 708 Q CB 0.136 28.862 28.738 -0.020 0.000 1.315 708 Q HN 0.299 nan 8.270 nan 0.000 0.580 709 K N 0.964 121.376 120.400 0.021 0.000 2.286 709 K HA -0.138 4.186 4.320 0.006 0.000 0.203 709 K C -0.147 176.468 176.600 0.024 0.000 1.045 709 K CA 1.027 57.325 56.287 0.019 0.000 0.935 709 K CB 0.075 32.583 32.500 0.014 0.000 0.737 709 K HN 0.579 nan 8.250 nan 0.000 0.460 710 L N 0.898 122.137 121.223 0.026 0.000 2.333 710 L HA 0.235 4.579 4.340 0.006 0.000 0.280 710 L C -0.512 176.387 176.870 0.048 0.000 1.004 710 L CA -1.072 53.785 54.840 0.029 0.000 0.820 710 L CB 1.538 43.599 42.059 0.004 0.000 1.247 710 L HN 0.092 nan 8.230 nan 0.000 0.416 711 H N 3.789 122.850 119.070 -0.016 0.000 2.467 711 H HA 0.641 5.200 4.556 0.006 0.000 0.331 711 H C -1.135 174.177 175.328 -0.027 0.000 1.120 711 H CA -0.254 55.783 56.048 -0.018 0.000 1.270 711 H CB 1.202 30.961 29.762 -0.005 0.000 1.466 711 H HN 0.443 nan 8.280 nan 0.000 0.504 712 I N 5.502 125.541 120.570 -0.885 0.000 2.439 712 I HA 0.309 4.482 4.170 0.006 0.000 0.285 712 I C -0.330 175.380 176.117 -0.678 0.000 1.021 712 I CA -0.649 60.287 61.300 -0.606 0.000 1.091 712 I CB 1.457 39.277 38.000 -0.299 0.000 1.242 712 I HN 0.544 nan 8.210 nan 0.000 0.439 713 R N 4.179 124.401 120.500 -0.464 0.000 2.540 713 R HA 0.755 5.099 4.340 0.006 0.000 0.287 713 R C -1.125 175.032 176.300 -0.238 0.000 0.980 713 R CA -0.150 55.804 56.100 -0.243 0.000 0.966 713 R CB 1.691 31.938 30.300 -0.089 0.000 1.106 713 R HN 0.578 nan 8.270 nan 0.000 0.480 714 T N 2.405 116.846 114.554 -0.188 0.000 2.912 714 T HA 0.331 4.685 4.350 0.006 0.000 0.299 714 T C -1.266 173.335 174.700 -0.164 0.000 1.052 714 T CA -0.557 61.427 62.100 -0.194 0.000 0.996 714 T CB 1.895 70.669 68.868 -0.158 0.000 1.070 714 T HN 0.289 nan 8.240 nan 0.000 0.465 715 V N 4.471 124.276 119.914 -0.181 0.000 2.289 715 V HA 0.316 4.440 4.120 0.006 0.000 0.272 715 V C -2.410 173.615 176.094 -0.115 0.000 1.026 715 V CA -2.107 60.129 62.300 -0.106 0.000 0.807 715 V CB 0.832 32.607 31.823 -0.081 0.000 1.044 715 V HN 0.673 nan 8.190 nan 0.000 0.443 716 P HA 0.038 nan 4.420 nan 0.000 0.257 716 P C 0.720 177.851 177.300 -0.282 0.000 1.162 716 P CA 0.652 63.555 63.100 -0.327 0.000 0.762 716 P CB 0.690 32.178 31.700 -0.353 0.000 0.753 717 L N 2.911 123.947 121.223 -0.312 0.000 2.408 717 L HA 0.037 4.381 4.340 0.006 0.000 0.215 717 L C 0.568 177.427 176.870 -0.018 0.000 1.081 717 L CA 0.322 55.094 54.840 -0.113 0.000 0.840 717 L CB -0.379 41.625 42.059 -0.091 0.000 1.002 717 L HN 0.402 nan 8.230 nan 0.000 0.468 718 Y N -0.305 119.978 120.300 -0.028 0.000 4.907 718 Y HA -0.344 4.209 4.550 0.006 0.000 0.246 718 Y C 0.711 176.604 175.900 -0.012 0.000 0.968 718 Y CA 0.826 58.917 58.100 -0.016 0.000 1.961 718 Y CB -2.058 36.395 38.460 -0.012 0.000 1.487 718 Y HN 0.499 nan 8.280 nan 0.000 0.575 719 E N -1.020 119.188 120.200 0.014 0.000 2.310 719 E HA 0.709 5.063 4.350 0.006 0.000 0.243 719 E C -0.753 175.787 176.600 -0.101 0.000 1.027 719 E CA -0.602 55.792 56.400 -0.009 0.000 0.887 719 E CB 1.148 30.846 29.700 -0.003 0.000 1.828 719 E HN 0.005 nan 8.360 nan 0.000 0.456 720 S N 0.769 116.384 115.700 -0.141 0.000 2.622 720 S HA 0.468 4.941 4.470 0.006 0.000 0.283 720 S C -2.499 171.990 174.600 -0.186 0.000 1.197 720 S CA -1.361 56.705 58.200 -0.225 0.000 1.146 720 S CB 0.719 63.721 63.200 -0.331 0.000 1.007 720 S HN 0.336 nan 8.310 nan 0.000 0.478 721 P HA 0.340 nan 4.420 nan 0.000 0.272 721 P C -0.007 177.227 177.300 -0.109 0.000 1.223 721 P CA -0.481 62.546 63.100 -0.120 0.000 0.784 721 P CB 1.042 32.673 31.700 -0.114 0.000 0.923 722 R N 0.557 121.013 120.500 -0.074 0.000 2.306 722 R HA 0.257 4.600 4.340 0.006 0.000 0.183 722 R C 0.575 176.865 176.300 -0.018 0.000 0.937 722 R CA 0.688 56.765 56.100 -0.037 0.000 1.118 722 R CB 0.052 30.352 30.300 -0.000 0.000 1.224 722 R HN 0.452 nan 8.270 nan 0.000 0.597 723 K N 0.464 120.851 120.400 -0.021 0.000 2.349 723 K HA 0.549 4.873 4.320 0.006 0.000 0.243 723 K C -0.968 175.603 176.600 -0.048 0.000 1.058 723 K CA -0.855 55.421 56.287 -0.018 0.000 0.871 723 K CB 2.115 34.617 32.500 0.003 0.000 1.337 723 K HN -0.024 nan 8.250 nan 0.000 0.469 724 I N 0.329 120.873 120.570 -0.043 0.000 2.702 724 I HA 0.213 4.387 4.170 0.006 0.000 0.287 724 I C -1.614 174.499 176.117 -0.008 0.000 1.342 724 I CA -0.271 60.990 61.300 -0.065 0.000 1.063 724 I CB 1.053 38.973 38.000 -0.134 0.000 1.331 724 I HN 0.571 nan 8.210 nan 0.000 0.427 725 C N 5.168 124.487 119.300 0.032 0.000 2.771 725 C HA 0.604 5.068 4.460 0.006 0.000 0.333 725 C C -1.090 174.164 174.990 0.440 0.000 1.267 725 C CA -0.533 58.579 59.018 0.156 0.000 1.721 725 C CB 1.783 29.550 27.740 0.044 0.000 2.222 725 C HN 0.649 nan 8.230 nan 0.000 0.485 726 Y N 1.675 122.164 120.300 0.316 0.000 2.488 726 Y HA 0.395 4.948 4.550 0.006 0.000 0.330 726 Y C -0.006 176.047 175.900 0.257 0.000 1.013 726 Y CA -0.310 58.010 58.100 0.366 0.000 1.304 726 Y CB 0.436 39.151 38.460 0.426 0.000 1.098 726 Y HN 0.740 nan 8.280 nan 0.000 0.498 727 Q N 5.036 124.888 119.800 0.087 0.000 2.381 727 Q HA 0.048 4.392 4.340 0.006 0.000 0.243 727 Q C 1.222 176.902 176.000 -0.533 0.000 1.154 727 Q CA 0.152 55.897 55.803 -0.096 0.000 0.899 727 Q CB 0.566 29.358 28.738 0.090 0.000 1.396 727 Q HN 0.896 nan 8.270 nan 0.000 0.485 728 E N 3.218 122.961 120.200 -0.762 0.000 2.112 728 E HA -0.143 4.211 4.350 0.006 0.000 0.190 728 E C 1.437 177.840 176.600 -0.328 0.000 0.979 728 E CA 1.402 57.296 56.400 -0.843 0.000 0.814 728 E CB 0.160 29.492 29.700 -0.614 0.000 0.762 728 E HN 0.628 nan 8.360 nan 0.000 0.460 729 V N -0.115 119.662 119.914 -0.228 0.000 2.594 729 V HA -0.122 4.002 4.120 0.006 0.000 0.253 729 V C 1.806 177.829 176.094 -0.118 0.000 1.069 729 V CA 1.987 64.205 62.300 -0.137 0.000 1.082 729 V CB -0.521 31.232 31.823 -0.117 0.000 0.680 729 V HN 0.138 nan 8.190 nan 0.000 0.469 730 S N -0.250 115.369 115.700 -0.133 0.000 2.575 730 S HA 0.148 4.622 4.470 0.006 0.000 0.215 730 S C 0.634 175.227 174.600 -0.013 0.000 0.966 730 S CA 0.123 58.298 58.200 -0.043 0.000 0.911 730 S CB -0.237 62.983 63.200 0.033 0.000 0.780 730 S HN 0.721 nan 8.310 nan 0.000 0.514 731 Q N 0.214 119.963 119.800 -0.084 0.000 2.435 731 Q HA -0.205 4.139 4.340 0.006 0.000 0.312 731 Q C 0.063 176.025 176.000 -0.063 0.000 1.333 731 Q CA 0.993 56.773 55.803 -0.038 0.000 0.883 731 Q CB -2.636 26.143 28.738 0.069 0.000 1.170 731 Q HN 0.883 nan 8.270 nan 0.000 0.443 732 C N -3.525 115.705 119.300 -0.117 0.000 3.318 732 C HA 0.824 5.288 4.460 0.006 0.000 0.322 732 C C -0.312 174.628 174.990 -0.084 0.000 1.398 732 C CA -1.398 57.535 59.018 -0.143 0.000 1.339 732 C CB 1.564 29.292 27.740 -0.020 0.000 1.668 732 C HN 0.230 nan 8.230 nan 0.000 0.462 733 F N 0.876 120.919 119.950 0.154 0.000 2.422 733 F HA 0.639 5.170 4.527 0.006 0.000 0.333 733 F C 1.108 176.887 175.800 -0.035 0.000 1.095 733 F CA 0.072 58.154 58.000 0.136 0.000 1.038 733 F CB 1.966 41.036 39.000 0.117 0.000 1.156 733 F HN 1.022 nan 8.300 nan 0.000 0.483 734 G N 1.390 110.182 108.800 -0.013 0.000 2.356 734 G HA2 0.584 4.548 3.960 0.006 0.000 0.322 734 G HA3 0.584 4.548 3.960 0.006 0.000 0.322 734 G C -1.690 173.089 174.900 -0.202 0.000 1.125 734 G CA -0.536 44.325 45.100 -0.397 0.000 0.885 734 G HN 0.497 nan 8.290 nan 0.000 0.467 735 V N 3.152 122.973 119.914 -0.154 0.000 2.686 735 V HA 0.358 4.482 4.120 0.006 0.000 0.306 735 V C -0.067 175.988 176.094 -0.064 0.000 1.065 735 V CA -0.677 61.571 62.300 -0.087 0.000 0.894 735 V CB 1.865 33.663 31.823 -0.043 0.000 1.004 735 V HN 0.664 nan 8.190 nan 0.000 0.424 736 L N 4.199 125.397 121.223 -0.041 0.000 2.371 736 L HA 0.684 5.028 4.340 0.006 0.000 0.272 736 L C 0.433 177.293 176.870 -0.016 0.000 1.124 736 L CA 0.316 55.161 54.840 0.008 0.000 0.816 736 L CB 1.697 43.767 42.059 0.019 0.000 1.129 736 L HN 0.855 nan 8.230 nan 0.000 0.448 737 S N 1.527 117.219 115.700 -0.012 0.000 2.638 737 S HA 0.737 5.211 4.470 0.006 0.000 0.274 737 S C -0.960 173.497 174.600 -0.238 0.000 1.157 737 S CA -0.651 57.492 58.200 -0.095 0.000 0.826 737 S CB 2.201 65.365 63.200 -0.061 0.000 1.139 737 S HN 0.571 nan 8.310 nan 0.000 0.474 738 S N 0.521 116.045 115.700 -0.293 0.000 2.562 738 S HA 0.642 5.115 4.470 0.006 0.000 0.274 738 S C -1.287 173.169 174.600 -0.240 0.000 1.160 738 S CA -0.878 57.029 58.200 -0.488 0.000 0.933 738 S CB 0.896 63.597 63.200 -0.831 0.000 1.100 738 S HN 1.062 nan 8.310 nan 0.000 0.468 739 R N 3.464 123.856 120.500 -0.180 0.000 2.854 739 R HA 0.732 5.076 4.340 0.006 0.000 0.271 739 R C -0.604 175.673 176.300 -0.038 0.000 0.996 739 R CA -1.027 55.038 56.100 -0.059 0.000 0.961 739 R CB 0.945 31.229 30.300 -0.026 0.000 1.182 739 R HN 0.511 nan 8.270 nan 0.000 0.479 740 I N 0.358 120.940 120.570 0.021 0.000 3.110 740 I HA 0.326 4.500 4.170 0.006 0.000 0.314 740 I C 0.289 176.416 176.117 0.016 0.000 1.020 740 I CA -0.384 60.932 61.300 0.026 0.000 1.169 740 I CB 1.067 39.088 38.000 0.036 0.000 1.437 740 I HN 0.625 nan 8.210 nan 0.000 0.595 741 E N 0.493 120.704 120.200 0.018 0.000 2.409 741 E HA 0.439 4.792 4.350 0.006 0.000 0.280 741 E C -1.793 174.818 176.600 0.018 0.000 1.079 741 E CA -0.664 55.746 56.400 0.016 0.000 0.840 741 E CB 2.695 32.407 29.700 0.018 0.000 1.309 741 E HN 0.343 nan 8.360 nan 0.000 0.447 742 V N -1.403 118.521 119.914 0.017 0.000 2.914 742 V HA 0.507 4.630 4.120 0.006 0.000 0.314 742 V C -0.168 175.938 176.094 0.020 0.000 1.084 742 V CA -1.064 61.247 62.300 0.017 0.000 0.963 742 V CB 1.491 33.321 31.823 0.011 0.000 1.025 742 V HN 0.806 nan 8.190 nan 0.000 0.432 743 Q N 1.259 121.073 119.800 0.023 0.000 2.414 743 Q HA 0.198 4.542 4.340 0.006 0.000 0.288 743 Q C -0.711 175.301 176.000 0.019 0.000 1.086 743 Q CA 0.389 56.207 55.803 0.024 0.000 0.943 743 Q CB 0.390 29.143 28.738 0.024 0.000 1.282 743 Q HN 0.796 nan 8.270 nan 0.000 0.438 744 D N 0.450 120.861 120.400 0.019 0.000 2.569 744 D HA 0.124 4.768 4.640 0.006 0.000 0.266 744 D C 0.857 177.166 176.300 0.015 0.000 1.164 744 D CA 0.217 54.226 54.000 0.015 0.000 1.071 744 D CB 1.563 42.372 40.800 0.015 0.000 1.183 744 D HN 0.815 nan 8.370 nan 0.000 0.613 745 T N -2.807 111.754 114.554 0.012 0.000 2.904 745 T HA -0.135 4.219 4.350 0.006 0.000 0.267 745 T C 1.791 176.498 174.700 0.013 0.000 1.059 745 T CA 1.350 63.457 62.100 0.012 0.000 1.137 745 T CB -0.244 68.629 68.868 0.009 0.000 0.879 745 T HN 0.299 nan 8.240 nan 0.000 0.467 746 S N 0.848 116.556 115.700 0.013 0.000 2.474 746 S HA 0.316 4.790 4.470 0.006 0.000 0.235 746 S C 2.061 176.672 174.600 0.018 0.000 0.997 746 S CA 0.982 59.191 58.200 0.015 0.000 0.949 746 S CB -0.800 62.408 63.200 0.014 0.000 0.766 746 S HN 1.191 nan 8.310 nan 0.000 0.517 747 G N 0.669 109.481 108.800 0.019 0.000 2.611 747 G HA2 -0.106 3.857 3.960 0.006 0.000 0.208 747 G HA3 -0.106 3.857 3.960 0.006 0.000 0.208 747 G C 0.669 175.585 174.900 0.027 0.000 1.201 747 G CA 0.013 45.127 45.100 0.023 0.000 0.739 747 G HN 1.106 nan 8.290 nan 0.000 0.528 748 G N 0.353 109.168 108.800 0.026 0.000 2.593 748 G HA2 0.505 4.468 3.960 0.006 0.000 0.279 748 G HA3 0.505 4.468 3.960 0.006 0.000 0.279 748 G C 0.473 175.388 174.900 0.027 0.000 1.329 748 G CA 1.437 46.554 45.100 0.029 0.000 1.036 748 G HN 1.623 nan 8.290 nan 0.000 0.555 749 T N -3.034 111.536 114.554 0.026 0.000 2.786 749 T HA 0.540 4.893 4.350 0.006 0.000 0.283 749 T C 1.002 175.712 174.700 0.017 0.000 0.992 749 T CA 0.016 62.130 62.100 0.024 0.000 0.954 749 T CB 1.536 70.421 68.868 0.029 0.000 0.934 749 T HN 0.586 nan 8.240 nan 0.000 0.440 750 T N 2.079 116.641 114.554 0.014 0.000 2.849 750 T HA 0.618 4.971 4.350 0.006 0.000 0.230 750 T C 1.055 175.759 174.700 0.007 0.000 1.071 750 T CA 0.342 62.447 62.100 0.009 0.000 1.559 750 T CB -0.682 68.190 68.868 0.007 0.000 1.141 750 T HN 1.735 nan 8.240 nan 0.000 0.417 751 A N -0.663 122.161 122.820 0.007 0.000 2.301 751 A HA 0.493 4.816 4.320 0.006 0.000 0.288 751 A C -0.737 176.850 177.584 0.005 0.000 0.984 751 A CA -0.300 51.740 52.037 0.005 0.000 0.540 751 A CB -0.653 18.347 19.000 0.001 0.000 1.542 751 A HN 0.536 nan 8.150 nan 0.000 0.637 752 L N -0.882 120.344 121.223 0.006 0.000 3.699 752 L HA 0.403 4.746 4.340 0.006 0.000 0.344 752 L C 0.324 177.197 176.870 0.004 0.000 1.196 752 L CA 0.631 55.474 54.840 0.006 0.000 1.202 752 L CB 0.529 42.593 42.059 0.008 0.000 1.592 752 L HN 0.986 nan 8.230 nan 0.000 0.631 753 R N -0.389 120.112 120.500 0.002 0.000 2.753 753 R HA 0.434 4.777 4.340 0.006 0.000 0.272 753 R C -3.206 173.079 176.300 -0.025 0.000 1.034 753 R CA -1.206 54.886 56.100 -0.013 0.000 0.869 753 R CB 0.395 30.698 30.300 0.005 0.000 1.264 753 R HN -0.326 nan 8.270 nan 0.000 0.481 754 P HA 0.168 nan 4.420 nan 0.000 0.268 754 P C -0.862 176.401 177.300 -0.061 0.000 1.205 754 P CA -0.166 62.888 63.100 -0.077 0.000 0.771 754 P CB 1.220 32.841 31.700 -0.131 0.000 0.858 755 S N 0.576 116.268 115.700 -0.014 0.000 2.634 755 S HA 0.507 4.981 4.470 0.006 0.000 0.296 755 S C 1.262 175.896 174.600 0.057 0.000 1.104 755 S CA -0.155 58.079 58.200 0.057 0.000 0.920 755 S CB 1.684 64.910 63.200 0.042 0.000 1.111 755 S HN 0.511 nan 8.310 nan 0.000 0.493 756 A N 1.235 124.123 122.820 0.113 0.000 2.093 756 A HA -0.135 4.189 4.320 0.006 0.000 0.222 756 A C 1.868 179.467 177.584 0.025 0.000 1.162 756 A CA 2.192 54.278 52.037 0.082 0.000 0.655 756 A CB -0.857 18.190 19.000 0.078 0.000 0.805 756 A HN 0.908 nan 8.150 nan 0.000 0.461 757 S N -2.283 113.419 115.700 0.004 0.000 2.512 757 S HA 0.006 4.480 4.470 0.006 0.000 0.216 757 S C 1.523 176.100 174.600 -0.037 0.000 1.006 757 S CA 0.884 59.066 58.200 -0.029 0.000 0.915 757 S CB -0.367 62.810 63.200 -0.038 0.000 0.824 757 S HN 0.715 nan 8.310 nan 0.000 0.497 758 T N -1.094 113.447 114.554 -0.022 0.000 3.039 758 T HA 0.136 4.490 4.350 0.006 0.000 0.250 758 T C 1.295 175.982 174.700 -0.021 0.000 1.052 758 T CA 0.099 62.184 62.100 -0.025 0.000 1.125 758 T CB -0.260 68.594 68.868 -0.023 0.000 0.908 758 T HN 0.147 nan 8.240 nan 0.000 0.473 759 Q N 1.767 121.557 119.800 -0.016 0.000 2.291 759 Q HA 0.525 4.869 4.340 0.006 0.000 0.211 759 Q C 0.571 176.573 176.000 0.004 0.000 0.925 759 Q CA -0.165 55.631 55.803 -0.012 0.000 0.949 759 Q CB -0.714 28.013 28.738 -0.019 0.000 1.015 759 Q HN 0.739 nan 8.270 nan 0.000 0.477 760 A N 0.440 123.258 122.820 -0.002 0.000 2.407 760 A HA 0.227 4.550 4.320 0.006 0.000 0.248 760 A C 1.238 178.839 177.584 0.028 0.000 1.082 760 A CA -0.328 51.712 52.037 0.005 0.000 0.785 760 A CB 0.348 19.327 19.000 -0.035 0.000 1.020 760 A HN 0.373 nan 8.150 nan 0.000 0.489 761 L N 1.501 122.757 121.223 0.055 0.000 1.994 761 L HA -0.137 4.207 4.340 0.006 0.000 0.208 761 L C 1.766 178.691 176.870 0.092 0.000 1.071 761 L CA 1.858 56.741 54.840 0.072 0.000 0.745 761 L CB -0.855 41.255 42.059 0.084 0.000 0.892 761 L HN 0.915 nan 8.230 nan 0.000 0.431 762 S N -1.270 114.522 115.700 0.153 0.000 2.694 762 S HA 0.709 5.183 4.470 0.006 0.000 0.286 762 S C -0.144 174.568 174.600 0.186 0.000 1.080 762 S CA 0.005 58.332 58.200 0.212 0.000 0.953 762 S CB 1.821 65.202 63.200 0.302 0.000 1.313 762 S HN 0.344 nan 8.310 nan 0.000 0.555 763 S N -1.375 114.494 115.700 0.281 0.000 2.712 763 S HA 0.589 5.063 4.470 0.006 0.000 0.279 763 S C -1.194 173.513 174.600 0.178 0.000 1.025 763 S CA -0.690 57.499 58.200 -0.019 0.000 0.861 763 S CB 0.397 63.549 63.200 -0.080 0.000 1.091 763 S HN 0.980 nan 8.310 nan 0.000 0.457 764 S N -0.061 115.618 115.700 -0.035 0.000 2.806 764 S HA 0.980 5.453 4.470 0.006 0.000 0.306 764 S C -1.335 173.100 174.600 -0.275 0.000 1.167 764 S CA -0.505 57.706 58.200 0.017 0.000 0.847 764 S CB 1.629 65.001 63.200 0.287 0.000 1.216 764 S HN 1.703 nan 8.310 nan 0.000 0.532 765 V N 0.586 120.302 119.914 -0.331 0.000 3.098 765 V HA 0.521 4.645 4.120 0.006 0.000 0.294 765 V C -0.905 175.040 176.094 -0.249 0.000 1.351 765 V CA -0.496 61.543 62.300 -0.434 0.000 0.999 765 V CB 2.324 34.047 31.823 -0.166 0.000 1.104 765 V HN 0.852 nan 8.190 nan 0.000 0.438 766 S N 2.259 117.877 115.700 -0.135 0.000 2.531 766 S HA 0.245 4.719 4.470 0.006 0.000 0.279 766 S C 1.157 175.846 174.600 0.148 0.000 1.305 766 S CA 0.332 58.670 58.200 0.230 0.000 1.058 766 S CB 1.272 64.706 63.200 0.389 0.000 0.899 766 S HN 1.090 nan 8.310 nan 0.000 0.493 767 S N 3.269 119.063 115.700 0.157 0.000 2.384 767 S HA 0.077 4.550 4.470 0.006 0.000 0.217 767 S C 0.945 175.609 174.600 0.106 0.000 1.041 767 S CA 0.357 58.623 58.200 0.109 0.000 0.948 767 S CB -0.737 62.520 63.200 0.094 0.000 0.872 767 S HN 0.815 nan 8.310 nan 0.000 0.512 768 S N 1.693 117.454 115.700 0.103 0.000 3.954 768 S HA -0.159 4.315 4.470 0.006 0.000 0.469 768 S C 0.360 175.006 174.600 0.076 0.000 1.092 768 S CA 0.403 58.651 58.200 0.079 0.000 0.837 768 S CB -0.040 63.218 63.200 0.097 0.000 0.854 768 S HN 0.506 nan 8.310 nan 0.000 0.435 769 K N 4.295 124.709 120.400 0.022 0.000 2.506 769 K HA 0.239 4.563 4.320 0.006 0.000 0.204 769 K C 1.228 177.795 176.600 -0.056 0.000 1.045 769 K CA -0.154 56.146 56.287 0.021 0.000 1.074 769 K CB -0.005 32.508 32.500 0.020 0.000 0.842 769 K HN 0.706 nan 8.250 nan 0.000 0.514 770 L N 0.355 121.456 121.223 -0.203 0.000 2.551 770 L HA -0.053 4.291 4.340 0.006 0.000 0.230 770 L C 0.323 176.760 176.870 -0.722 0.000 1.163 770 L CA 1.288 55.816 54.840 -0.520 0.000 0.826 770 L CB -0.458 41.136 42.059 -0.775 0.000 0.943 770 L HN -0.002 nan 8.230 nan 0.000 0.452 771 F N -2.682 117.303 119.950 0.057 0.000 2.654 771 F HA 0.415 4.945 4.527 0.006 0.000 0.334 771 F C 0.939 176.769 175.800 0.051 0.000 1.078 771 F CA -0.673 57.362 58.000 0.059 0.000 0.986 771 F CB 1.630 40.678 39.000 0.080 0.000 1.362 771 F HN -0.383 nan 8.300 nan 0.000 0.498 772 S N -0.950 114.896 115.700 0.243 0.000 4.736 772 S HA 0.042 4.516 4.470 0.006 0.000 0.170 772 S C 0.256 174.917 174.600 0.101 0.000 1.074 772 S CA 0.162 58.441 58.200 0.133 0.000 1.250 772 S CB -0.329 62.926 63.200 0.091 0.000 1.772 772 S HN 0.706 nan 8.310 nan 0.000 0.633 784 E N 1.987 122.198 120.200 0.018 0.000 2.820 784 E HA 0.172 4.525 4.350 0.006 0.000 0.251 784 E C -0.253 176.364 176.600 0.028 0.000 0.944 784 E CA 0.766 57.181 56.400 0.026 0.000 0.955 784 E CB 0.454 30.173 29.700 0.032 0.000 0.904 784 E HN 0.304 nan 8.360 nan 0.000 0.513 785 E N 1.723 121.941 120.200 0.030 0.000 2.242 785 E HA 0.478 4.832 4.350 0.006 0.000 0.275 785 E C -0.734 175.898 176.600 0.053 0.000 1.002 785 E CA -0.573 55.846 56.400 0.033 0.000 0.841 785 E CB 2.308 32.021 29.700 0.021 0.000 1.109 785 E HN 0.153 nan 8.360 nan 0.000 0.394 786 V N 1.625 121.573 119.914 0.056 0.000 3.188 786 V HA 0.223 4.346 4.120 0.006 0.000 0.305 786 V C -1.386 174.749 176.094 0.069 0.000 1.232 786 V CA -0.612 61.736 62.300 0.080 0.000 1.043 786 V CB 2.521 34.389 31.823 0.076 0.000 1.068 786 V HN 0.637 nan 8.190 nan 0.000 0.439 787 E N 0.948 121.198 120.200 0.082 0.000 2.222 787 E HA 0.682 5.036 4.350 0.006 0.000 0.272 787 E C -1.610 175.001 176.600 0.019 0.000 0.982 787 E CA -0.554 55.846 56.400 -0.000 0.000 0.842 787 E CB 2.237 31.871 29.700 -0.110 0.000 1.144 787 E HN 0.435 nan 8.360 nan 0.000 0.397 788 V N 3.142 123.034 119.914 -0.037 0.000 2.588 788 V HA 0.250 4.374 4.120 0.006 0.000 0.304 788 V C -0.666 175.405 176.094 -0.037 0.000 1.042 788 V CA -0.726 61.592 62.300 0.030 0.000 0.877 788 V CB 1.704 33.539 31.823 0.019 0.000 0.996 788 V HN 0.647 nan 8.190 nan 0.000 0.425 789 H N 3.941 123.013 119.070 0.003 0.000 2.524 789 H HA 0.550 5.110 4.556 0.006 0.000 0.353 789 H C -0.948 174.546 175.328 0.276 0.000 1.136 789 H CA -0.672 55.408 56.048 0.053 0.000 1.193 789 H CB 2.323 32.061 29.762 -0.040 0.000 1.558 789 H HN 0.598 nan 8.280 nan 0.000 0.515 790 N N 2.039 120.912 118.700 0.289 0.000 2.229 790 N HA 0.114 4.858 4.740 0.006 0.000 0.298 790 N C -0.901 174.775 175.510 0.278 0.000 1.114 790 N CA -0.799 52.393 53.050 0.236 0.000 0.776 790 N CB 3.092 41.590 38.487 0.019 0.000 1.501 790 N HN 0.274 nan 8.380 nan 0.000 0.474 791 L N 1.619 122.969 121.223 0.212 0.000 2.395 791 L HA 0.526 4.870 4.340 0.006 0.000 0.269 791 L C -0.965 175.856 176.870 -0.082 0.000 1.133 791 L CA 0.108 54.968 54.840 0.032 0.000 0.812 791 L CB 0.284 42.259 42.059 -0.141 0.000 1.125 791 L HN 0.416 nan 8.230 nan 0.000 0.452 792 L N 4.863 126.028 121.223 -0.097 0.000 2.393 792 L HA 0.541 4.884 4.340 0.006 0.000 0.260 792 L C -1.066 175.744 176.870 -0.100 0.000 1.002 792 L CA -0.808 53.979 54.840 -0.089 0.000 0.818 792 L CB 2.282 44.313 42.059 -0.046 0.000 1.369 792 L HN 0.433 nan 8.230 nan 0.000 0.412 793 I N 3.199 123.718 120.570 -0.085 0.000 2.410 793 I HA 0.385 4.558 4.170 0.006 0.000 0.286 793 I C -0.632 175.455 176.117 -0.051 0.000 1.009 793 I CA -0.348 60.873 61.300 -0.130 0.000 1.111 793 I CB 1.847 39.635 38.000 -0.354 0.000 1.262 793 I HN 0.365 nan 8.210 nan 0.000 0.443 794 I N 4.825 125.403 120.570 0.013 0.000 2.362 794 I HA 0.182 4.356 4.170 0.006 0.000 0.289 794 I C 0.315 176.396 176.117 -0.060 0.000 0.994 794 I CA -0.338 60.995 61.300 0.054 0.000 1.158 794 I CB 1.324 39.451 38.000 0.213 0.000 1.315 794 I HN 0.465 nan 8.210 nan 0.000 0.451 795 D N 4.184 124.535 120.400 -0.081 0.000 2.487 795 D HA -0.037 4.607 4.640 0.006 0.000 0.243 795 D C 1.247 177.264 176.300 -0.473 0.000 1.154 795 D CA 0.253 54.165 54.000 -0.146 0.000 0.876 795 D CB 0.866 41.641 40.800 -0.042 0.000 1.161 795 D HN 0.626 nan 8.370 nan 0.000 0.478 796 Q N 3.076 122.561 119.800 -0.525 0.000 2.436 796 Q HA -0.174 4.169 4.340 0.006 0.000 0.209 796 Q C 0.527 175.997 176.000 -0.884 0.000 0.965 796 Q CA 1.155 56.404 55.803 -0.924 0.000 0.910 796 Q CB 0.125 28.400 28.738 -0.772 0.000 0.980 796 Q HN 0.651 nan 8.270 nan 0.000 0.491 797 H N 0.322 119.166 119.070 -0.378 0.000 2.460 797 H HA 0.067 4.627 4.556 0.006 0.000 0.297 797 H C 1.825 177.126 175.328 -0.045 0.000 1.023 797 H CA 1.790 57.755 56.048 -0.139 0.000 1.321 797 H CB 0.592 30.316 29.762 -0.065 0.000 1.455 797 H HN 0.545 nan 8.280 nan 0.000 0.539 798 T N -2.179 112.404 114.554 0.048 0.000 3.037 798 T HA 0.028 4.382 4.350 0.006 0.000 0.251 798 T C 0.528 175.345 174.700 0.194 0.000 1.079 798 T CA -0.287 61.882 62.100 0.115 0.000 1.067 798 T CB -0.484 68.434 68.868 0.084 0.000 0.948 798 T HN 0.160 nan 8.240 nan 0.000 0.496 799 F N 1.942 121.955 119.950 0.104 0.000 3.004 799 F HA -0.166 4.365 4.527 0.006 0.000 0.264 799 F C 0.302 176.154 175.800 0.086 0.000 0.979 799 F CA 0.338 58.401 58.000 0.104 0.000 0.896 799 F CB -1.894 37.164 39.000 0.097 0.000 0.813 799 F HN 0.370 nan 8.300 nan 0.000 0.804 800 E N -0.394 119.887 120.200 0.135 0.000 2.204 800 E HA 0.431 4.785 4.350 0.006 0.000 0.276 800 E C -0.087 176.571 176.600 0.097 0.000 0.974 800 E CA -0.997 55.472 56.400 0.115 0.000 0.815 800 E CB 1.966 31.718 29.700 0.087 0.000 1.119 800 E HN 0.027 nan 8.360 nan 0.000 0.393 801 V N 5.393 125.362 119.914 0.090 0.000 2.304 801 V HA -0.087 4.037 4.120 0.006 0.000 0.239 801 V C 1.552 177.687 176.094 0.067 0.000 1.201 801 V CA 0.522 62.861 62.300 0.064 0.000 1.254 801 V CB -1.425 30.426 31.823 0.048 0.000 1.335 801 V HN 0.711 nan 8.190 nan 0.000 0.491 802 L N 1.719 122.987 121.223 0.075 0.000 1.921 802 L HA -0.081 4.263 4.340 0.006 0.000 0.219 802 L C 1.328 178.304 176.870 0.177 0.000 1.081 802 L CA 1.702 56.619 54.840 0.128 0.000 0.771 802 L CB -0.329 41.824 42.059 0.156 0.000 0.888 802 L HN 0.673 nan 8.230 nan 0.000 0.433 803 H N -1.301 117.792 119.070 0.038 0.000 2.651 803 H HA 0.658 5.217 4.556 0.006 0.000 0.353 803 H C -1.029 174.299 175.328 0.002 0.000 1.178 803 H CA -0.659 55.420 56.048 0.052 0.000 1.224 803 H CB 1.609 31.451 29.762 0.133 0.000 1.702 803 H HN 0.209 nan 8.280 nan 0.000 0.550 804 A N 2.718 125.084 122.820 -0.757 0.000 2.353 804 A HA 0.339 4.663 4.320 0.006 0.000 0.299 804 A C -1.586 175.594 177.584 -0.673 0.000 1.089 804 A CA -0.591 51.118 52.037 -0.546 0.000 0.736 804 A CB 0.304 19.139 19.000 -0.274 0.000 1.195 804 A HN 0.896 nan 8.150 nan 0.000 0.447 805 H N 1.721 120.497 119.070 -0.490 0.000 2.640 805 H HA 0.455 5.015 4.556 0.006 0.000 0.297 805 H C 0.185 175.254 175.328 -0.433 0.000 1.073 805 H CA 0.025 55.833 56.048 -0.400 0.000 1.305 805 H CB 0.776 30.275 29.762 -0.438 0.000 1.404 805 H HN 0.765 nan 8.280 nan 0.000 0.459 806 Q N 4.816 124.244 119.800 -0.619 0.000 2.288 806 Q HA 0.202 4.545 4.340 0.006 0.000 0.254 806 Q C -0.959 174.818 176.000 -0.371 0.000 0.932 806 Q CA -0.466 55.125 55.803 -0.354 0.000 0.902 806 Q CB 0.655 29.273 28.738 -0.200 0.000 1.203 806 Q HN 0.556 nan 8.270 nan 0.000 0.415 807 F N 1.912 121.922 119.950 0.101 0.000 2.362 807 F HA 0.292 4.823 4.527 0.006 0.000 0.311 807 F C 0.629 176.500 175.800 0.118 0.000 1.161 807 F CA -0.797 57.316 58.000 0.189 0.000 1.085 807 F CB 0.524 39.638 39.000 0.190 0.000 1.311 807 F HN 0.443 nan 8.300 nan 0.000 0.524 808 L N 0.604 122.052 121.223 0.375 0.000 2.473 808 L HA -0.072 4.272 4.340 0.006 0.000 0.280 808 L C 0.529 177.495 176.870 0.160 0.000 1.266 808 L CA 0.168 55.147 54.840 0.232 0.000 0.824 808 L CB 0.061 42.265 42.059 0.242 0.000 1.091 808 L HN 0.545 nan 8.230 nan 0.000 0.534 809 Q N 2.809 122.683 119.800 0.123 0.000 2.381 809 Q HA 0.019 4.363 4.340 0.006 0.000 0.243 809 Q C -0.831 175.203 176.000 0.056 0.000 1.154 809 Q CA 0.082 55.941 55.803 0.092 0.000 0.899 809 Q CB -0.007 28.784 28.738 0.090 0.000 1.396 809 Q HN 0.570 nan 8.270 nan 0.000 0.485 810 N N 2.809 121.528 118.700 0.030 0.000 3.327 810 N HA -0.130 4.614 4.740 0.006 0.000 0.247 810 N C -1.383 174.063 175.510 -0.106 0.000 1.142 810 N CA 0.483 53.490 53.050 -0.072 0.000 0.762 810 N CB -0.818 37.520 38.487 -0.248 0.000 1.143 810 N HN 0.743 nan 8.380 nan 0.000 0.553 811 E N 0.227 120.427 120.200 -0.001 0.000 2.199 811 E HA 0.414 4.767 4.350 0.006 0.000 0.269 811 E C -1.129 175.384 176.600 -0.144 0.000 0.899 811 E CA -0.497 55.875 56.400 -0.047 0.000 0.772 811 E CB 1.263 30.974 29.700 0.018 0.000 1.155 811 E HN 0.145 nan 8.360 nan 0.000 0.408 812 Y N 1.447 121.405 120.300 -0.570 0.000 2.341 812 Y HA 0.525 5.079 4.550 0.006 0.000 0.337 812 Y C 0.138 175.628 175.900 -0.683 0.000 1.014 812 Y CA -1.258 56.257 58.100 -0.974 0.000 1.111 812 Y CB 2.019 40.093 38.460 -0.643 0.000 1.194 812 Y HN 0.567 nan 8.280 nan 0.000 0.462 813 A N 4.636 127.101 122.820 -0.591 0.000 2.276 813 A HA 0.487 4.811 4.320 0.006 0.000 0.300 813 A C -0.063 177.425 177.584 -0.161 0.000 1.235 813 A CA -0.351 51.414 52.037 -0.453 0.000 0.867 813 A CB 0.162 18.767 19.000 -0.659 0.000 1.137 813 A HN 1.016 nan 8.150 nan 0.000 0.527 814 L N 2.116 123.269 121.223 -0.118 0.000 2.642 814 L HA 0.175 4.518 4.340 0.006 0.000 0.233 814 L C 0.847 177.720 176.870 0.005 0.000 1.077 814 L CA 0.542 55.368 54.840 -0.022 0.000 0.879 814 L CB 0.194 42.226 42.059 -0.044 0.000 1.151 814 L HN 0.698 nan 8.230 nan 0.000 0.495 815 S N 0.004 115.694 115.700 -0.017 0.000 2.599 815 S HA 0.811 5.285 4.470 0.006 0.000 0.294 815 S C -1.024 173.587 174.600 0.019 0.000 1.094 815 S CA -0.688 57.522 58.200 0.017 0.000 0.931 815 S CB 2.847 66.061 63.200 0.023 0.000 1.093 815 S HN 0.013 nan 8.310 nan 0.000 0.488 816 L N 1.635 122.878 121.223 0.032 0.000 2.526 816 L HA 0.777 5.121 4.340 0.006 0.000 0.263 816 L C -1.484 175.417 176.870 0.052 0.000 0.943 816 L CA -0.368 54.489 54.840 0.029 0.000 0.859 816 L CB 1.944 43.989 42.059 -0.023 0.000 1.313 816 L HN 0.885 nan 8.230 nan 0.000 0.406 817 V N 0.866 120.834 119.914 0.090 0.000 3.040 817 V HA 0.861 4.984 4.120 0.006 0.000 0.312 817 V C -0.514 175.715 176.094 0.224 0.000 1.115 817 V CA -0.710 61.666 62.300 0.127 0.000 0.998 817 V CB 1.760 33.650 31.823 0.112 0.000 1.042 817 V HN 0.779 nan 8.190 nan 0.000 0.433 818 S N 1.329 117.179 115.700 0.249 0.000 2.733 818 S HA 0.770 5.243 4.470 0.006 0.000 0.307 818 S C -0.571 174.145 174.600 0.192 0.000 1.127 818 S CA -0.093 58.318 58.200 0.351 0.000 1.097 818 S CB 0.146 63.619 63.200 0.454 0.000 1.003 818 S HN 1.818 nan 8.310 nan 0.000 0.477 819 C N 3.020 122.412 119.300 0.153 0.000 3.318 819 C HA 0.719 5.183 4.460 0.006 0.000 0.322 819 C C -0.928 174.116 174.990 0.090 0.000 1.398 819 C CA -1.153 57.920 59.018 0.091 0.000 1.339 819 C CB 0.480 28.261 27.740 0.067 0.000 1.668 819 C HN 0.764 nan 8.230 nan 0.000 0.462 820 K N 0.578 121.016 120.400 0.064 0.000 2.118 820 K HA 0.838 5.162 4.320 0.006 0.000 0.264 820 K C -0.871 175.750 176.600 0.034 0.000 1.000 820 K CA -0.213 56.124 56.287 0.084 0.000 0.929 820 K CB 0.962 33.498 32.500 0.060 0.000 1.021 820 K HN 0.606 nan 8.250 nan 0.000 0.463 821 L N 0.735 121.974 121.223 0.028 0.000 2.376 821 L HA 0.422 4.765 4.340 0.006 0.000 0.258 821 L C 0.790 177.751 176.870 0.153 0.000 1.013 821 L CA -0.612 54.193 54.840 -0.059 0.000 0.822 821 L CB 1.944 43.700 42.059 -0.505 0.000 1.388 821 L HN 0.928 nan 8.230 nan 0.000 0.413 822 G N 1.417 110.327 108.800 0.182 0.000 2.652 822 G HA2 -0.395 3.569 3.960 0.006 0.000 0.318 822 G HA3 -0.395 3.569 3.960 0.006 0.000 0.318 822 G C 0.614 175.615 174.900 0.169 0.000 1.295 822 G CA 1.051 46.289 45.100 0.229 0.000 0.999 822 G HN 0.669 nan 8.290 nan 0.000 0.548 823 K N 0.607 121.107 120.400 0.166 0.000 2.137 823 K HA 0.150 4.474 4.320 0.006 0.000 0.202 823 K C 1.160 177.847 176.600 0.144 0.000 1.052 823 K CA 0.581 56.940 56.287 0.119 0.000 0.961 823 K CB -0.261 32.287 32.500 0.079 0.000 0.741 823 K HN 0.557 nan 8.250 nan 0.000 0.452 824 D N 1.447 121.978 120.400 0.218 0.000 3.139 824 D HA -0.118 4.525 4.640 0.006 0.000 0.212 824 D C -1.803 174.626 176.300 0.215 0.000 1.084 824 D CA -0.097 54.066 54.000 0.273 0.000 0.777 824 D CB 0.885 42.009 40.800 0.539 0.000 1.156 824 D HN 0.086 nan 8.370 nan 0.000 0.537 825 P HA 0.074 nan 4.420 nan 0.000 0.257 825 P C -0.417 176.909 177.300 0.042 0.000 1.325 825 P CA -0.258 62.889 63.100 0.078 0.000 0.850 825 P CB 0.326 32.052 31.700 0.043 0.000 1.324 826 N N 0.063 118.807 118.700 0.073 0.000 2.498 826 N HA 0.195 4.939 4.740 0.006 0.000 0.287 826 N C -0.193 175.225 175.510 -0.152 0.000 1.097 826 N CA 0.215 53.186 53.050 -0.132 0.000 0.973 826 N CB 0.402 38.671 38.487 -0.363 0.000 1.153 826 N HN -0.207 nan 8.380 nan 0.000 0.472 827 T N 2.585 116.985 114.554 -0.256 0.000 2.738 827 T HA 0.327 4.681 4.350 0.006 0.000 0.298 827 T C -0.346 174.155 174.700 -0.332 0.000 0.962 827 T CA -0.088 61.905 62.100 -0.179 0.000 0.972 827 T CB -0.204 68.574 68.868 -0.150 0.000 0.928 827 T HN 0.206 nan 8.240 nan 0.000 0.474 828 Y N 1.464 121.689 120.300 -0.124 0.000 2.545 828 Y HA 0.625 5.178 4.550 0.006 0.000 0.324 828 Y C -0.049 175.854 175.900 0.004 0.000 1.220 828 Y CA -1.548 56.490 58.100 -0.102 0.000 1.290 828 Y CB 0.830 39.242 38.460 -0.080 0.000 1.355 828 Y HN 0.432 nan 8.280 nan 0.000 0.516 829 F N 1.819 121.941 119.950 0.287 0.000 2.430 829 F HA 0.448 4.978 4.527 0.006 0.000 0.362 829 F C -0.552 175.415 175.800 0.278 0.000 1.103 829 F CA -1.589 56.541 58.000 0.217 0.000 1.045 829 F CB 0.260 39.360 39.000 0.166 0.000 1.276 829 F HN 0.160 nan 8.300 nan 0.000 0.444 830 I N 3.105 123.892 120.570 0.361 0.000 2.488 830 I HA 0.573 4.747 4.170 0.006 0.000 0.299 830 I C -0.481 175.762 176.117 0.209 0.000 0.984 830 I CA -0.962 60.476 61.300 0.229 0.000 1.250 830 I CB 1.706 39.737 38.000 0.052 0.000 1.389 830 I HN 0.067 nan 8.210 nan 0.000 0.488 831 V N 4.086 124.127 119.914 0.213 0.000 2.509 831 V HA 0.406 4.530 4.120 0.006 0.000 0.289 831 V C 0.366 176.499 176.094 0.065 0.000 1.026 831 V CA -0.651 61.747 62.300 0.163 0.000 0.872 831 V CB 1.506 33.516 31.823 0.311 0.000 1.017 831 V HN 0.935 nan 8.190 nan 0.000 0.436 832 G N 3.162 111.963 108.800 0.000 0.000 2.432 832 G HA2 0.584 4.548 3.960 0.006 0.000 0.257 832 G HA3 0.584 4.548 3.960 0.006 0.000 0.257 832 G C 0.179 175.009 174.900 -0.116 0.000 1.238 832 G CA 0.585 45.657 45.100 -0.047 0.000 0.838 832 G HN 0.810 nan 8.290 nan 0.000 0.547 833 T N -1.759 112.719 114.554 -0.127 0.000 2.645 833 T HA 0.864 5.218 4.350 0.006 0.000 0.273 833 T C -0.418 174.175 174.700 -0.178 0.000 0.960 833 T CA -0.354 61.631 62.100 -0.192 0.000 1.051 833 T CB 1.914 70.676 68.868 -0.177 0.000 1.366 833 T HN 1.977 nan 8.240 nan 0.000 0.536 834 A N 0.692 123.401 122.820 -0.185 0.000 2.583 834 A HA 0.570 4.893 4.320 0.006 0.000 0.298 834 A C -1.199 176.247 177.584 -0.229 0.000 1.055 834 A CA -0.933 50.981 52.037 -0.204 0.000 0.714 834 A CB 1.196 20.029 19.000 -0.278 0.000 1.277 834 A HN 0.705 nan 8.150 nan 0.000 0.406 835 M N 2.562 122.016 119.600 -0.244 0.000 2.077 835 M HA 0.377 4.861 4.480 0.006 0.000 0.348 835 M C -0.396 175.670 176.300 -0.390 0.000 1.252 835 M CA -0.413 54.688 55.300 -0.331 0.000 1.096 835 M CB 0.276 32.703 32.600 -0.287 0.000 1.568 835 M HN 0.376 nan 8.290 nan 0.000 0.456 836 V N 5.743 125.275 119.914 -0.636 0.000 2.435 836 V HA 0.533 4.657 4.120 0.006 0.000 0.290 836 V C -1.010 174.639 176.094 -0.743 0.000 1.030 836 V CA -0.441 61.522 62.300 -0.562 0.000 0.881 836 V CB 1.444 32.833 31.823 -0.724 0.000 0.983 836 V HN 0.716 nan 8.190 nan 0.000 0.445 837 Y N 4.171 124.405 120.300 -0.109 0.000 2.534 837 Y HA 0.422 4.976 4.550 0.006 0.000 0.345 837 Y C -2.036 173.838 175.900 -0.043 0.000 1.031 837 Y CA -2.179 55.887 58.100 -0.057 0.000 1.022 837 Y CB 1.734 40.167 38.460 -0.045 0.000 1.292 837 Y HN 0.378 nan 8.280 nan 0.000 0.459 838 P HA -0.126 nan 4.420 nan 0.000 0.223 838 P C 0.988 178.328 177.300 0.066 0.000 1.151 838 P CA 1.349 64.492 63.100 0.072 0.000 0.787 838 P CB 0.406 32.145 31.700 0.065 0.000 0.788 839 E N 0.359 120.606 120.200 0.078 0.000 2.285 839 E HA -0.082 4.272 4.350 0.006 0.000 0.194 839 E C 0.172 176.794 176.600 0.037 0.000 0.997 839 E CA 0.688 57.114 56.400 0.043 0.000 0.845 839 E CB -0.564 29.146 29.700 0.017 0.000 0.782 839 E HN 0.347 nan 8.360 nan 0.000 0.491 840 E N 0.716 120.952 120.200 0.061 0.000 2.130 840 E HA 0.357 4.710 4.350 0.006 0.000 0.284 840 E C 0.341 176.966 176.600 0.043 0.000 1.018 840 E CA 0.003 56.434 56.400 0.051 0.000 0.817 840 E CB 1.449 31.197 29.700 0.079 0.000 1.078 840 E HN 0.231 nan 8.360 nan 0.000 0.396 841 A N 4.237 127.078 122.820 0.035 0.000 2.125 841 A HA -0.159 4.164 4.320 0.006 0.000 0.219 841 A C 0.782 178.388 177.584 0.037 0.000 1.156 841 A CA 1.222 53.281 52.037 0.036 0.000 0.671 841 A CB 0.041 19.062 19.000 0.035 0.000 0.794 841 A HN 0.658 nan 8.150 nan 0.000 0.459 842 E N -0.432 119.790 120.200 0.036 0.000 2.397 842 E HA 0.272 4.625 4.350 0.006 0.000 0.293 842 E C -3.132 173.487 176.600 0.032 0.000 0.930 842 E CA -1.815 54.610 56.400 0.041 0.000 0.793 842 E CB 1.850 31.579 29.700 0.049 0.000 1.259 842 E HN 0.052 nan 8.360 nan 0.000 0.406 843 P HA 0.071 nan 4.420 nan 0.000 0.271 843 P C -0.385 176.916 177.300 0.002 0.000 1.216 843 P CA -0.119 62.974 63.100 -0.011 0.000 0.771 843 P CB 0.804 32.446 31.700 -0.096 0.000 0.864 844 K N 2.042 122.453 120.400 0.018 0.000 2.438 844 K HA 0.227 4.551 4.320 0.006 0.000 0.205 844 K C -0.015 176.615 176.600 0.049 0.000 1.033 844 K CA 0.054 56.361 56.287 0.034 0.000 1.089 844 K CB 0.623 33.147 32.500 0.040 0.000 0.857 844 K HN 0.467 nan 8.250 nan 0.000 0.522 845 Q N -0.230 119.583 119.800 0.022 0.000 2.359 845 Q HA 0.692 5.036 4.340 0.006 0.000 0.274 845 Q C -0.897 175.099 176.000 -0.007 0.000 1.074 845 Q CA -0.852 54.980 55.803 0.049 0.000 0.810 845 Q CB 2.602 31.310 28.738 -0.050 0.000 1.342 845 Q HN 0.377 nan 8.270 nan 0.000 0.427 846 G N 1.111 109.977 108.800 0.110 0.000 2.349 846 G HA2 0.566 4.530 3.960 0.006 0.000 0.294 846 G HA3 0.566 4.530 3.960 0.006 0.000 0.294 846 G C -1.972 173.026 174.900 0.162 0.000 1.380 846 G CA -0.885 44.259 45.100 0.073 0.000 0.811 846 G HN 0.565 nan 8.290 nan 0.000 0.519 847 R N -0.759 119.802 120.500 0.101 0.000 2.643 847 R HA 0.642 4.986 4.340 0.006 0.000 0.269 847 R C -1.281 175.032 176.300 0.022 0.000 1.037 847 R CA -0.957 55.193 56.100 0.083 0.000 0.894 847 R CB 1.439 31.817 30.300 0.131 0.000 1.238 847 R HN 0.475 nan 8.270 nan 0.000 0.459 848 I N 1.869 122.423 120.570 -0.027 0.000 2.472 848 I HA 0.391 4.565 4.170 0.006 0.000 0.290 848 I C -0.283 175.803 176.117 -0.053 0.000 1.016 848 I CA -1.077 60.186 61.300 -0.062 0.000 1.348 848 I CB 1.727 39.619 38.000 -0.180 0.000 1.417 848 I HN 0.278 nan 8.210 nan 0.000 0.521 849 V N 6.119 126.022 119.914 -0.019 0.000 2.686 849 V HA 0.384 4.508 4.120 0.006 0.000 0.306 849 V C -0.248 175.765 176.094 -0.135 0.000 1.065 849 V CA -0.749 61.489 62.300 -0.105 0.000 0.894 849 V CB 2.047 33.810 31.823 -0.100 0.000 1.004 849 V HN 0.408 nan 8.190 nan 0.000 0.424 850 V N 4.757 124.525 119.914 -0.242 0.000 2.427 850 V HA 0.611 4.734 4.120 0.006 0.000 0.286 850 V C -0.715 175.294 176.094 -0.141 0.000 1.034 850 V CA -0.252 61.963 62.300 -0.142 0.000 0.893 850 V CB 1.464 33.133 31.823 -0.257 0.000 0.982 850 V HN 0.703 nan 8.190 nan 0.000 0.452 851 F N 2.580 122.680 119.950 0.250 0.000 2.577 851 F HA 0.625 5.156 4.527 0.006 0.000 0.318 851 F C 0.064 176.003 175.800 0.232 0.000 1.065 851 F CA -0.558 57.586 58.000 0.240 0.000 0.929 851 F CB 2.159 41.300 39.000 0.236 0.000 1.237 851 F HN 0.346 nan 8.300 nan 0.000 0.468 852 Q N 1.234 121.232 119.800 0.330 0.000 2.397 852 Q HA 0.360 4.704 4.340 0.006 0.000 0.275 852 Q C -2.067 173.999 176.000 0.110 0.000 1.090 852 Q CA -0.957 54.871 55.803 0.042 0.000 0.809 852 Q CB 2.466 31.130 28.738 -0.124 0.000 1.362 852 Q HN 0.670 nan 8.270 nan 0.000 0.431 853 Y N 1.931 122.112 120.300 -0.199 0.000 2.342 853 Y HA 0.356 4.909 4.550 0.006 0.000 0.338 853 Y C -0.289 175.520 175.900 -0.153 0.000 0.965 853 Y CA -0.052 57.964 58.100 -0.140 0.000 1.159 853 Y CB 1.146 39.523 38.460 -0.138 0.000 1.157 853 Y HN 0.708 nan 8.280 nan 0.000 0.486 854 S N 3.092 118.548 115.700 -0.407 0.000 2.907 854 S HA 0.037 4.511 4.470 0.006 0.000 0.166 854 S C 0.633 174.973 174.600 -0.433 0.000 0.956 854 S CA 0.224 58.222 58.200 -0.336 0.000 1.531 854 S CB -0.022 63.044 63.200 -0.222 0.000 0.573 854 S HN 0.685 nan 8.310 nan 0.000 0.488 855 D N 0.998 121.187 120.400 -0.351 0.000 2.091 855 D HA 0.187 4.831 4.640 0.006 0.000 0.199 855 D C 1.270 177.317 176.300 -0.422 0.000 0.980 855 D CA 1.375 55.194 54.000 -0.300 0.000 0.831 855 D CB -0.228 40.460 40.800 -0.187 0.000 0.987 855 D HN 0.563 nan 8.370 nan 0.000 0.460 856 G N -0.773 107.752 108.800 -0.459 0.000 5.070 856 G HA2 0.084 4.048 3.960 0.006 0.000 0.249 856 G HA3 0.084 4.048 3.960 0.006 0.000 0.249 856 G C -0.336 174.359 174.900 -0.342 0.000 0.931 856 G CA -0.463 44.387 45.100 -0.416 0.000 0.753 856 G HN -0.032 nan 8.290 nan 0.000 0.320 857 K N 0.803 120.935 120.400 -0.447 0.000 2.164 857 K HA 0.517 4.841 4.320 0.006 0.000 0.258 857 K C -1.075 175.475 176.600 -0.084 0.000 0.951 857 K CA -0.809 55.338 56.287 -0.233 0.000 0.844 857 K CB 2.742 35.139 32.500 -0.170 0.000 1.099 857 K HN -0.020 nan 8.250 nan 0.000 0.435 858 L N 3.280 124.484 121.223 -0.032 0.000 2.387 858 L HA 0.185 4.528 4.340 0.006 0.000 0.259 858 L C -0.481 176.525 176.870 0.226 0.000 1.050 858 L CA -0.316 54.631 54.840 0.178 0.000 0.922 858 L CB 1.081 43.277 42.059 0.229 0.000 1.280 858 L HN 0.711 nan 8.230 nan 0.000 0.449 859 Q N 1.597 121.515 119.800 0.196 0.000 2.323 859 Q HA 0.120 4.464 4.340 0.006 0.000 0.257 859 Q C -0.074 176.052 176.000 0.209 0.000 1.022 859 Q CA -0.204 55.701 55.803 0.169 0.000 0.919 859 Q CB 0.815 29.609 28.738 0.095 0.000 1.220 859 Q HN 0.462 nan 8.270 nan 0.000 0.427 860 T N 4.592 119.227 114.554 0.135 0.000 3.826 860 T HA 0.008 4.362 4.350 0.006 0.000 0.239 860 T C 1.403 176.059 174.700 -0.073 0.000 1.007 860 T CA -0.276 61.763 62.100 -0.102 0.000 1.171 860 T CB -0.171 68.662 68.868 -0.059 0.000 1.153 860 T HN 0.453 nan 8.240 nan 0.000 0.854 861 V N 1.036 120.946 119.914 -0.007 0.000 2.295 861 V HA 0.020 4.143 4.120 0.006 0.000 0.246 861 V C 1.307 177.450 176.094 0.082 0.000 1.049 861 V CA 1.587 63.963 62.300 0.126 0.000 1.024 861 V CB -0.568 31.476 31.823 0.368 0.000 0.648 861 V HN 0.910 nan 8.190 nan 0.000 0.447 862 A N -0.240 122.589 122.820 0.015 0.000 2.512 862 A HA 0.582 4.906 4.320 0.006 0.000 0.294 862 A C -0.321 177.229 177.584 -0.057 0.000 1.054 862 A CA -0.655 51.401 52.037 0.032 0.000 0.756 862 A CB 1.040 20.174 19.000 0.223 0.000 1.293 862 A HN 0.418 nan 8.150 nan 0.000 0.395 863 E N 0.996 121.159 120.200 -0.062 0.000 2.961 863 E HA 0.827 5.181 4.350 0.006 0.000 0.254 863 E C -0.454 176.114 176.600 -0.052 0.000 1.192 863 E CA -0.859 55.500 56.400 -0.069 0.000 1.069 863 E CB 0.806 30.474 29.700 -0.053 0.000 1.338 863 E HN 0.367 nan 8.360 nan 0.000 0.596 864 K N 0.569 120.937 120.400 -0.054 0.000 2.323 864 K HA 0.068 4.392 4.320 0.006 0.000 0.360 864 K C -1.709 174.874 176.600 -0.029 0.000 1.549 864 K CA 0.143 56.394 56.287 -0.059 0.000 1.091 864 K CB 0.476 32.895 32.500 -0.134 0.000 1.414 864 K HN 0.605 nan 8.250 nan 0.000 0.485 865 E N 2.262 122.452 120.200 -0.017 0.000 2.437 865 E HA 0.275 4.629 4.350 0.006 0.000 0.263 865 E C -0.419 176.225 176.600 0.075 0.000 1.030 865 E CA -0.033 56.382 56.400 0.025 0.000 0.934 865 E CB 0.619 30.288 29.700 -0.051 0.000 0.943 865 E HN 0.371 nan 8.360 nan 0.000 0.444 866 V N 0.731 120.719 119.914 0.122 0.000 3.007 866 V HA 0.391 4.515 4.120 0.006 0.000 0.311 866 V C -0.340 175.834 176.094 0.132 0.000 1.120 866 V CA -1.052 61.324 62.300 0.127 0.000 0.980 866 V CB 1.882 33.778 31.823 0.121 0.000 1.033 866 V HN 0.664 nan 8.190 nan 0.000 0.429 867 K N 1.860 122.329 120.400 0.116 0.000 2.745 867 K HA 0.626 4.950 4.320 0.006 0.000 0.223 867 K C 0.401 177.048 176.600 0.078 0.000 1.057 867 K CA 0.551 56.901 56.287 0.105 0.000 1.217 867 K CB 0.190 32.750 32.500 0.099 0.000 0.993 867 K HN 1.122 nan 8.250 nan 0.000 0.478 868 G N -0.277 108.556 108.800 0.055 0.000 2.428 868 G HA2 0.483 4.446 3.960 0.006 0.000 0.304 868 G HA3 0.483 4.446 3.960 0.006 0.000 0.304 868 G C -1.787 173.072 174.900 -0.068 0.000 1.303 868 G CA -0.831 44.274 45.100 0.009 0.000 0.825 868 G HN 0.082 nan 8.290 nan 0.000 0.484 869 A N -0.142 122.570 122.820 -0.180 0.000 2.276 869 A HA 0.604 4.928 4.320 0.006 0.000 0.300 869 A C 0.187 177.468 177.584 -0.504 0.000 1.235 869 A CA -0.366 51.425 52.037 -0.410 0.000 0.867 869 A CB 0.630 19.229 19.000 -0.669 0.000 1.137 869 A HN 1.346 nan 8.150 nan 0.000 0.527 870 V N 4.639 124.356 119.914 -0.329 0.000 2.397 870 V HA -0.011 4.113 4.120 0.006 0.000 0.262 870 V C 0.513 176.447 176.094 -0.267 0.000 1.047 870 V CA 0.575 62.748 62.300 -0.211 0.000 1.003 870 V CB -1.130 30.639 31.823 -0.090 0.000 1.037 870 V HN 0.972 nan 8.190 nan 0.000 0.480 871 Y N 2.856 123.120 120.300 -0.060 0.000 2.420 871 Y HA 0.077 4.630 4.550 0.006 0.000 0.292 871 Y C 1.489 177.335 175.900 -0.090 0.000 1.119 871 Y CA 0.796 58.837 58.100 -0.098 0.000 1.229 871 Y CB 0.629 38.993 38.460 -0.161 0.000 1.026 871 Y HN 0.776 nan 8.280 nan 0.000 0.554 872 S N -0.021 115.723 115.700 0.074 0.000 2.636 872 S HA 0.617 5.091 4.470 0.006 0.000 0.266 872 S C -1.263 173.363 174.600 0.043 0.000 1.147 872 S CA -0.945 57.287 58.200 0.052 0.000 0.815 872 S CB 1.315 64.545 63.200 0.049 0.000 1.119 872 S HN 0.185 nan 8.310 nan 0.000 0.470 873 M N 0.667 120.297 119.600 0.050 0.000 2.362 873 M HA 0.611 5.095 4.480 0.006 0.000 0.242 873 M C -1.902 174.435 176.300 0.062 0.000 0.995 873 M CA -0.787 54.544 55.300 0.052 0.000 0.904 873 M CB 1.025 33.660 32.600 0.057 0.000 2.202 873 M HN 0.683 nan 8.290 nan 0.000 0.464 874 V N 1.988 121.937 119.914 0.058 0.000 2.713 874 V HA 0.471 4.595 4.120 0.006 0.000 0.307 874 V C 0.087 176.245 176.094 0.107 0.000 1.052 874 V CA -0.134 62.216 62.300 0.083 0.000 0.967 874 V CB 1.852 33.727 31.823 0.086 0.000 1.019 874 V HN 0.986 nan 8.190 nan 0.000 0.459 875 E N 3.905 124.173 120.200 0.114 0.000 2.465 875 E HA -0.050 4.304 4.350 0.006 0.000 0.260 875 E C -0.756 175.977 176.600 0.222 0.000 0.980 875 E CA 0.299 56.775 56.400 0.127 0.000 0.927 875 E CB 0.686 30.440 29.700 0.090 0.000 0.934 875 E HN 0.643 nan 8.360 nan 0.000 0.459 876 F N 4.290 124.250 119.950 0.016 0.000 2.463 876 F HA 0.241 4.772 4.527 0.007 0.000 0.225 876 F C 0.669 176.466 175.800 -0.005 0.000 1.146 876 F CA 0.076 58.084 58.000 0.014 0.000 0.956 876 F CB 0.047 39.062 39.000 0.025 0.000 1.076 876 F HN 0.396 nan 8.300 nan 0.000 0.649 877 N N 0.382 118.891 118.700 -0.318 0.000 2.904 877 N HA 0.290 5.034 4.740 0.006 0.000 0.257 877 N C 0.496 175.938 175.510 -0.114 0.000 1.363 877 N CA 0.668 53.523 53.050 -0.326 0.000 0.856 877 N CB 0.830 39.011 38.487 -0.510 0.000 1.166 877 N HN 0.760 nan 8.380 nan 0.000 0.499 878 G N 1.088 109.865 108.800 -0.038 0.000 2.257 878 G HA2 -0.334 3.630 3.960 0.006 0.000 0.267 878 G HA3 -0.334 3.630 3.960 0.006 0.000 0.267 878 G C 0.304 175.226 174.900 0.037 0.000 0.984 878 G CA 0.676 45.781 45.100 0.009 0.000 0.626 878 G HN 0.454 nan 8.290 nan 0.000 0.540 879 K N -0.776 119.658 120.400 0.057 0.000 2.267 879 K HA 0.782 5.106 4.320 0.006 0.000 0.236 879 K C -0.758 175.924 176.600 0.136 0.000 1.030 879 K CA -1.039 55.309 56.287 0.102 0.000 0.930 879 K CB 1.689 34.252 32.500 0.104 0.000 1.182 879 K HN 0.203 nan 8.250 nan 0.000 0.474 880 L N 2.152 123.465 121.223 0.149 0.000 2.318 880 L HA 0.330 4.674 4.340 0.006 0.000 0.277 880 L C -1.435 175.555 176.870 0.201 0.000 1.008 880 L CA -0.691 54.236 54.840 0.145 0.000 0.846 880 L CB 1.027 43.133 42.059 0.078 0.000 1.220 880 L HN 0.431 nan 8.230 nan 0.000 0.423 881 L N 5.255 126.566 121.223 0.147 0.000 2.334 881 L HA 0.879 5.223 4.340 0.006 0.000 0.277 881 L C -0.378 176.543 176.870 0.085 0.000 1.075 881 L CA 0.183 55.068 54.840 0.076 0.000 0.804 881 L CB 1.393 43.402 42.059 -0.084 0.000 1.174 881 L HN 0.788 nan 8.230 nan 0.000 0.438 882 A N 2.600 125.471 122.820 0.085 0.000 2.500 882 A HA 0.540 4.864 4.320 0.006 0.000 0.288 882 A C -0.677 176.945 177.584 0.063 0.000 1.045 882 A CA -0.292 51.807 52.037 0.104 0.000 0.830 882 A CB 0.818 19.952 19.000 0.224 0.000 1.337 882 A HN 0.727 nan 8.150 nan 0.000 0.400 883 S N 1.386 117.103 115.700 0.029 0.000 2.481 883 S HA 0.588 5.062 4.470 0.006 0.000 0.276 883 S C -0.288 174.345 174.600 0.055 0.000 1.247 883 S CA -0.143 58.068 58.200 0.018 0.000 1.053 883 S CB 0.042 63.244 63.200 0.002 0.000 0.925 883 S HN 0.529 nan 8.310 nan 0.000 0.491 884 I N 3.618 124.219 120.570 0.051 0.000 2.412 884 I HA 0.406 4.580 4.170 0.006 0.000 0.279 884 I C 1.037 177.204 176.117 0.083 0.000 1.063 884 I CA -0.048 61.286 61.300 0.056 0.000 1.193 884 I CB -0.152 37.889 38.000 0.068 0.000 1.370 884 I HN 0.969 nan 8.210 nan 0.000 0.479 885 N N 3.044 121.844 118.700 0.167 0.000 2.929 885 N HA -0.338 4.406 4.740 0.006 0.000 0.234 885 N C 0.955 176.556 175.510 0.151 0.000 0.908 885 N CA 1.312 54.503 53.050 0.234 0.000 0.993 885 N CB -0.195 38.361 38.487 0.115 0.000 1.075 885 N HN 0.640 nan 8.380 nan 0.000 0.603 886 S N -2.889 112.863 115.700 0.086 0.000 3.498 886 S HA -0.050 4.424 4.470 0.006 0.000 0.092 886 S C -0.488 174.143 174.600 0.051 0.000 0.723 886 S CA 0.615 58.846 58.200 0.053 0.000 1.369 886 S CB -0.489 62.756 63.200 0.075 0.000 0.733 886 S HN 0.378 nan 8.310 nan 0.000 0.643 887 T N 1.956 116.525 114.554 0.026 0.000 2.925 887 T HA 0.710 5.064 4.350 0.006 0.000 0.285 887 T C -0.716 173.935 174.700 -0.081 0.000 1.021 887 T CA -0.384 61.664 62.100 -0.087 0.000 1.042 887 T CB 1.940 70.732 68.868 -0.127 0.000 1.037 887 T HN 0.131 nan 8.240 nan 0.000 0.481 888 V N 2.933 122.776 119.914 -0.118 0.000 2.407 888 V HA 0.527 4.651 4.120 0.006 0.000 0.291 888 V C -0.017 176.067 176.094 -0.016 0.000 1.018 888 V CA -0.687 61.557 62.300 -0.094 0.000 0.842 888 V CB 1.486 33.192 31.823 -0.194 0.000 0.996 888 V HN 0.671 nan 8.190 nan 0.000 0.426 889 R N 3.352 123.848 120.500 -0.008 0.000 2.740 889 R HA 0.685 5.028 4.340 0.006 0.000 0.282 889 R C -1.678 174.596 176.300 -0.043 0.000 0.969 889 R CA -0.973 55.083 56.100 -0.073 0.000 0.918 889 R CB 2.209 32.328 30.300 -0.303 0.000 1.175 889 R HN 0.508 nan 8.270 nan 0.000 0.464 890 L N 3.595 124.737 121.223 -0.134 0.000 2.353 890 L HA 0.387 4.731 4.340 0.006 0.000 0.270 890 L C -1.623 175.160 176.870 -0.144 0.000 1.003 890 L CA -0.312 54.492 54.840 -0.060 0.000 0.862 890 L CB 0.644 42.674 42.059 -0.048 0.000 1.221 890 L HN 0.501 nan 8.230 nan 0.000 0.430 891 Y N 2.333 122.662 120.300 0.048 0.000 2.307 891 Y HA 0.475 5.029 4.550 0.006 0.000 0.324 891 Y C 0.568 176.509 175.900 0.067 0.000 1.238 891 Y CA -0.105 58.026 58.100 0.053 0.000 1.280 891 Y CB 1.139 39.631 38.460 0.053 0.000 1.248 891 Y HN 0.518 nan 8.280 nan 0.000 0.508 892 E N 1.142 121.515 120.200 0.288 0.000 2.277 892 E HA 0.136 4.490 4.350 0.006 0.000 0.266 892 E C -1.529 175.279 176.600 0.347 0.000 0.901 892 E CA -0.859 55.682 56.400 0.236 0.000 0.782 892 E CB 1.719 31.509 29.700 0.150 0.000 1.228 892 E HN 0.621 nan 8.360 nan 0.000 0.424 893 W N 3.662 124.972 121.300 0.017 0.000 2.335 893 W HA 0.137 4.801 4.660 0.005 0.000 0.307 893 W C 0.144 176.658 176.519 -0.008 0.000 1.117 893 W CA -0.738 56.594 57.345 -0.021 0.000 1.228 893 W CB 1.239 30.674 29.460 -0.043 0.000 1.240 893 W HN 0.559 nan 8.180 nan 0.000 0.468 894 T N 0.411 114.862 114.554 -0.172 0.000 2.860 894 T HA 0.003 4.357 4.350 0.006 0.000 0.299 894 T C 1.434 175.925 174.700 -0.348 0.000 1.045 894 T CA 0.303 62.272 62.100 -0.218 0.000 1.071 894 T CB 1.458 70.184 68.868 -0.237 0.000 0.985 894 T HN 0.525 nan 8.240 nan 0.000 0.537 895 T N -0.930 113.507 114.554 -0.195 0.000 2.962 895 T HA -0.065 4.288 4.350 0.006 0.000 0.270 895 T C 1.167 175.729 174.700 -0.231 0.000 1.088 895 T CA 1.007 63.002 62.100 -0.176 0.000 1.127 895 T CB -0.584 68.234 68.868 -0.084 0.000 0.883 895 T HN 0.831 nan 8.240 nan 0.000 0.493 896 E N 1.738 121.791 120.200 -0.244 0.000 2.505 896 E HA 0.131 4.485 4.350 0.006 0.000 0.197 896 E C 0.091 176.464 176.600 -0.378 0.000 1.111 896 E CA -0.189 56.068 56.400 -0.239 0.000 0.887 896 E CB -0.525 29.068 29.700 -0.179 0.000 0.913 896 E HN 0.427 nan 8.360 nan 0.000 0.517 897 K N 1.218 121.235 120.400 -0.638 0.000 3.419 897 K HA -0.181 4.143 4.320 0.006 0.000 0.272 897 K C -0.813 175.030 176.600 -1.262 0.000 0.973 897 K CA 0.619 56.230 56.287 -1.128 0.000 0.749 897 K CB -1.080 31.114 32.500 -0.511 0.000 1.403 897 K HN 0.241 nan 8.250 nan 0.000 0.456 898 D N -0.214 119.475 120.400 -1.184 0.000 2.661 898 D HA 0.309 4.953 4.640 0.006 0.000 0.228 898 D C -0.756 175.510 176.300 -0.057 0.000 1.183 898 D CA -0.598 53.080 54.000 -0.537 0.000 0.844 898 D CB 2.062 42.722 40.800 -0.233 0.000 1.555 898 D HN -0.053 nan 8.370 nan 0.000 0.453 899 V N 1.443 121.526 119.914 0.281 0.000 2.372 899 V HA 0.604 4.728 4.120 0.006 0.000 0.261 899 V C 0.017 176.234 176.094 0.205 0.000 1.055 899 V CA -0.525 61.946 62.300 0.286 0.000 0.930 899 V CB -0.060 31.763 31.823 -0.000 0.000 1.031 899 V HN 0.494 nan 8.190 nan 0.000 0.479 900 R N 2.136 122.798 120.500 0.270 0.000 2.628 900 R HA 0.670 5.014 4.340 0.006 0.000 0.288 900 R C -0.194 176.257 176.300 0.253 0.000 0.980 900 R CA -0.398 55.850 56.100 0.247 0.000 0.891 900 R CB 0.878 31.247 30.300 0.115 0.000 1.188 900 R HN 0.515 nan 8.270 nan 0.000 0.450 901 T N 1.497 116.161 114.554 0.185 0.000 2.906 901 T HA -0.062 4.292 4.350 0.006 0.000 0.329 901 T C 0.466 175.145 174.700 -0.035 0.000 1.091 901 T CA 0.172 62.248 62.100 -0.039 0.000 1.127 901 T CB 0.619 69.443 68.868 -0.073 0.000 1.035 901 T HN 0.835 nan 8.240 nan 0.000 0.547 902 E N -0.739 119.397 120.200 -0.107 0.000 2.406 902 E HA 0.173 4.527 4.350 0.006 0.000 0.204 902 E C 0.244 176.763 176.600 -0.135 0.000 0.820 902 E CA 0.118 56.471 56.400 -0.079 0.000 1.136 902 E CB 0.780 30.451 29.700 -0.048 0.000 1.129 902 E HN 0.893 nan 8.360 nan 0.000 0.530 903 C N -0.268 118.892 119.300 -0.232 0.000 3.292 903 C HA 0.692 5.156 4.460 0.006 0.000 0.338 903 C C -1.837 173.009 174.990 -0.240 0.000 1.323 903 C CA -1.127 57.728 59.018 -0.272 0.000 1.232 903 C CB 0.441 27.904 27.740 -0.460 0.000 1.517 903 C HN 0.497 nan 8.230 nan 0.000 0.470 904 N N -1.033 117.610 118.700 -0.095 0.000 2.371 904 N HA 0.529 5.272 4.740 0.006 0.000 0.280 904 N C -1.360 174.161 175.510 0.018 0.000 1.084 904 N CA -0.559 52.489 53.050 -0.003 0.000 0.892 904 N CB 0.942 39.270 38.487 -0.265 0.000 1.653 904 N HN 1.024 nan 8.380 nan 0.000 0.480 905 H N 0.222 119.302 119.070 0.016 0.000 2.582 905 H HA 0.275 4.835 4.556 0.006 0.000 0.345 905 H C -0.609 174.529 175.328 -0.316 0.000 1.104 905 H CA 0.213 56.206 56.048 -0.091 0.000 1.390 905 H CB 0.702 30.363 29.762 -0.168 0.000 1.461 905 H HN 0.733 nan 8.280 nan 0.000 0.551 906 Y N 1.192 121.297 120.300 -0.324 0.000 2.423 906 Y HA 0.079 4.633 4.550 0.006 0.000 0.257 906 Y C 1.347 177.171 175.900 -0.126 0.000 1.087 906 Y CA -0.260 57.758 58.100 -0.135 0.000 1.258 906 Y CB 0.541 38.929 38.460 -0.120 0.000 1.237 906 Y HN 0.657 nan 8.280 nan 0.000 0.517 907 N N 2.259 120.837 118.700 -0.203 0.000 3.127 907 N HA -0.033 4.710 4.740 0.006 0.000 0.317 907 N C -1.076 174.522 175.510 0.146 0.000 1.242 907 N CA 0.180 53.227 53.050 -0.006 0.000 1.203 907 N CB -0.372 38.076 38.487 -0.065 0.000 1.462 907 N HN 0.271 nan 8.380 nan 0.000 0.546 908 N N 1.586 120.338 118.700 0.087 0.000 2.249 908 N HA 0.137 4.881 4.740 0.006 0.000 0.296 908 N C 0.674 176.165 175.510 -0.031 0.000 1.051 908 N CA -0.536 52.522 53.050 0.013 0.000 0.815 908 N CB 2.082 40.575 38.487 0.010 0.000 1.487 908 N HN 0.132 nan 8.380 nan 0.000 0.475 909 I N 1.442 121.959 120.570 -0.088 0.000 2.233 909 I HA 0.127 4.301 4.170 0.006 0.000 0.243 909 I C 0.404 176.452 176.117 -0.114 0.000 1.093 909 I CA 1.449 62.684 61.300 -0.108 0.000 1.380 909 I CB 0.256 38.158 38.000 -0.164 0.000 1.067 909 I HN 0.619 nan 8.210 nan 0.000 0.413 910 M N -0.110 119.399 119.600 -0.152 0.000 2.422 910 M HA 0.408 4.892 4.480 0.006 0.000 0.200 910 M C -1.054 175.112 176.300 -0.223 0.000 0.964 910 M CA -0.242 54.957 55.300 -0.169 0.000 0.916 910 M CB 1.125 33.592 32.600 -0.222 0.000 2.643 910 M HN 0.037 nan 8.290 nan 0.000 0.429 911 A N 4.654 127.378 122.820 -0.159 0.000 2.515 911 A HA 0.328 4.652 4.320 0.006 0.000 0.263 911 A C 0.362 177.778 177.584 -0.280 0.000 1.096 911 A CA 0.169 52.099 52.037 -0.179 0.000 0.769 911 A CB -0.129 18.802 19.000 -0.116 0.000 1.040 911 A HN 1.009 nan 8.150 nan 0.000 0.505 912 L N 1.612 122.565 121.223 -0.451 0.000 2.642 912 L HA 0.248 4.592 4.340 0.006 0.000 0.233 912 L C -0.526 175.695 176.870 -1.081 0.000 1.077 912 L CA 0.501 54.791 54.840 -0.917 0.000 0.879 912 L CB 0.085 41.323 42.059 -1.368 0.000 1.151 912 L HN 0.801 nan 8.230 nan 0.000 0.495 913 Y N -0.318 119.959 120.300 -0.038 0.000 2.544 913 Y HA 0.652 5.205 4.550 0.006 0.000 0.342 913 Y C -0.635 175.236 175.900 -0.049 0.000 1.062 913 Y CA -0.867 57.222 58.100 -0.019 0.000 1.023 913 Y CB 1.985 40.437 38.460 -0.014 0.000 1.308 913 Y HN -0.255 nan 8.280 nan 0.000 0.457 914 L N 2.543 123.826 121.223 0.100 0.000 2.506 914 L HA 0.659 5.003 4.340 0.006 0.000 0.257 914 L C -0.941 175.945 176.870 0.027 0.000 0.964 914 L CA -1.011 53.828 54.840 -0.002 0.000 0.836 914 L CB 2.549 44.574 42.059 -0.056 0.000 1.384 914 L HN 0.531 nan 8.230 nan 0.000 0.410 915 K N 0.424 120.815 120.400 -0.016 0.000 2.499 915 K HA 0.749 5.073 4.320 0.006 0.000 0.277 915 K C -1.414 175.192 176.600 0.010 0.000 1.025 915 K CA -0.791 55.513 56.287 0.028 0.000 0.900 915 K CB 2.604 35.138 32.500 0.058 0.000 1.494 915 K HN 0.551 nan 8.250 nan 0.000 0.442 916 T N 1.515 116.109 114.554 0.068 0.000 3.011 916 T HA 0.195 4.548 4.350 0.006 0.000 0.303 916 T C -0.765 173.998 174.700 0.104 0.000 0.997 916 T CA -0.612 61.563 62.100 0.125 0.000 1.007 916 T CB 1.321 70.344 68.868 0.257 0.000 1.017 916 T HN 0.185 nan 8.240 nan 0.000 0.443 917 K N 2.962 123.431 120.400 0.114 0.000 2.127 917 K HA 0.231 4.554 4.320 0.006 0.000 0.261 917 K C 1.671 178.297 176.600 0.043 0.000 1.129 917 K CA 0.253 56.590 56.287 0.085 0.000 0.993 917 K CB -0.244 32.331 32.500 0.126 0.000 1.410 917 K HN 0.949 nan 8.250 nan 0.000 0.380 918 G N 4.088 112.883 108.800 -0.008 0.000 3.337 918 G HA2 -0.449 3.515 3.960 0.006 0.000 0.361 918 G HA3 -0.449 3.515 3.960 0.006 0.000 0.361 918 G C 0.838 175.610 174.900 -0.213 0.000 1.882 918 G CA 1.491 46.536 45.100 -0.091 0.000 2.098 918 G HN 0.702 nan 8.290 nan 0.000 0.998 919 D N 0.031 120.294 120.400 -0.228 0.000 2.054 919 D HA 0.123 4.767 4.640 0.006 0.000 0.241 919 D C 0.896 176.967 176.300 -0.382 0.000 1.276 919 D CA -0.098 53.630 54.000 -0.454 0.000 0.947 919 D CB -0.296 40.367 40.800 -0.229 0.000 1.340 919 D HN 0.136 nan 8.370 nan 0.000 0.538 920 F N 0.027 120.068 119.950 0.152 0.000 2.705 920 F HA 0.335 4.864 4.527 0.004 0.000 0.355 920 F C -0.033 176.047 175.800 0.466 0.000 1.172 920 F CA -0.089 58.176 58.000 0.443 0.000 1.332 920 F CB -0.614 38.660 39.000 0.457 0.000 1.621 920 F HN -0.013 nan 8.300 nan 0.000 0.605 921 I N 1.583 122.439 120.570 0.477 0.000 2.466 921 I HA 0.387 4.561 4.170 0.006 0.000 0.289 921 I C -0.797 175.386 176.117 0.110 0.000 1.026 921 I CA -0.736 60.709 61.300 0.242 0.000 1.078 921 I CB 1.680 39.780 38.000 0.167 0.000 1.249 921 I HN -0.019 nan 8.210 nan 0.000 0.429 922 L N 6.857 128.029 121.223 -0.085 0.000 2.183 922 L HA 0.798 5.142 4.340 0.006 0.000 0.253 922 L C -0.559 176.129 176.870 -0.304 0.000 1.048 922 L CA -1.257 53.439 54.840 -0.240 0.000 0.890 922 L CB 1.628 43.434 42.059 -0.422 0.000 1.476 922 L HN 0.325 nan 8.230 nan 0.000 0.455 923 V N -0.853 118.874 119.914 -0.312 0.000 2.859 923 V HA 0.756 4.880 4.120 0.006 0.000 0.257 923 V C -0.917 175.047 176.094 -0.217 0.000 1.691 923 V CA 0.673 62.786 62.300 -0.312 0.000 0.901 923 V CB 1.107 32.713 31.823 -0.362 0.000 1.246 923 V HN 1.365 nan 8.190 nan 0.000 0.466 924 G N 4.176 112.857 108.800 -0.199 0.000 2.353 924 G HA2 0.503 4.466 3.960 0.006 0.000 0.308 924 G HA3 0.503 4.466 3.960 0.006 0.000 0.308 924 G C -1.869 172.971 174.900 -0.100 0.000 1.418 924 G CA 0.203 45.248 45.100 -0.091 0.000 0.966 924 G HN 1.404 nan 8.290 nan 0.000 0.638 925 D N -1.075 119.307 120.400 -0.030 0.000 2.783 925 D HA 0.239 4.882 4.640 0.006 0.000 0.253 925 D C 0.827 177.093 176.300 -0.057 0.000 1.206 925 D CA -0.223 53.726 54.000 -0.085 0.000 0.740 925 D CB 1.945 42.668 40.800 -0.128 0.000 1.313 925 D HN 0.838 nan 8.370 nan 0.000 0.427 926 L N 2.635 123.760 121.223 -0.163 0.000 2.007 926 L HA 0.180 4.523 4.340 0.006 0.000 0.205 926 L C 1.495 178.191 176.870 -0.290 0.000 1.073 926 L CA 1.890 56.611 54.840 -0.199 0.000 0.744 926 L CB -0.287 41.586 42.059 -0.310 0.000 0.898 926 L HN 0.614 nan 8.230 nan 0.000 0.435 927 M N -2.353 116.964 119.600 -0.471 0.000 3.101 927 M HA 0.448 4.932 4.480 0.006 0.000 0.307 927 M C 0.386 176.445 176.300 -0.401 0.000 1.315 927 M CA 0.001 54.849 55.300 -0.755 0.000 0.734 927 M CB 0.948 32.721 32.600 -1.378 0.000 1.392 927 M HN 0.072 nan 8.290 nan 0.000 0.496 928 R N -0.208 120.164 120.500 -0.213 0.000 3.059 928 R HA 0.286 4.630 4.340 0.006 0.000 0.161 928 R C 0.983 177.238 176.300 -0.075 0.000 0.758 928 R CA 1.166 57.175 56.100 -0.153 0.000 1.064 928 R CB 0.722 30.907 30.300 -0.192 0.000 1.538 928 R HN 0.708 nan 8.270 nan 0.000 0.574 929 S N -1.955 113.736 115.700 -0.015 0.000 4.966 929 S HA -0.046 4.428 4.470 0.006 0.000 0.077 929 S C -0.842 173.874 174.600 0.193 0.000 1.005 929 S CA -0.241 58.023 58.200 0.106 0.000 1.357 929 S CB -0.569 62.626 63.200 -0.009 0.000 1.106 929 S HN 0.598 nan 8.310 nan 0.000 0.393 930 V N -0.034 119.907 119.914 0.045 0.000 2.369 930 V HA 0.421 4.545 4.120 0.006 0.000 0.271 930 V C -1.299 174.748 176.094 -0.078 0.000 1.791 930 V CA -0.956 61.344 62.300 0.001 0.000 0.742 930 V CB -0.734 31.131 31.823 0.070 0.000 1.293 930 V HN 0.750 nan 8.190 nan 0.000 0.445 931 L N 3.907 125.031 121.223 -0.166 0.000 2.421 931 L HA 0.997 5.340 4.340 0.006 0.000 0.267 931 L C -0.278 176.429 176.870 -0.270 0.000 1.036 931 L CA -0.984 53.733 54.840 -0.204 0.000 0.829 931 L CB 1.452 43.363 42.059 -0.248 0.000 1.437 931 L HN 0.859 nan 8.230 nan 0.000 0.488 932 L N 0.663 121.742 121.223 -0.241 0.000 2.410 932 L HA 0.745 5.089 4.340 0.006 0.000 0.270 932 L C -1.690 175.059 176.870 -0.202 0.000 0.983 932 L CA -0.263 54.418 54.840 -0.265 0.000 0.822 932 L CB 1.667 43.617 42.059 -0.181 0.000 1.285 932 L HN 0.334 nan 8.230 nan 0.000 0.409 933 L N 4.188 125.280 121.223 -0.218 0.000 2.436 933 L HA 0.868 5.212 4.340 0.006 0.000 0.268 933 L C -0.372 176.475 176.870 -0.039 0.000 0.974 933 L CA -0.167 54.563 54.840 -0.184 0.000 0.826 933 L CB 2.017 43.825 42.059 -0.419 0.000 1.291 933 L HN 0.747 nan 8.230 nan 0.000 0.406 934 A N 2.447 125.320 122.820 0.088 0.000 2.303 934 A HA 0.614 4.938 4.320 0.006 0.000 0.317 934 A C -1.340 176.487 177.584 0.405 0.000 1.149 934 A CA -0.306 51.882 52.037 0.251 0.000 0.822 934 A CB 0.558 19.687 19.000 0.216 0.000 1.131 934 A HN 0.643 nan 8.150 nan 0.000 0.493 935 Y N 1.504 122.086 120.300 0.471 0.000 2.352 935 Y HA 0.572 5.125 4.550 0.006 0.000 0.326 935 Y C -0.400 175.557 175.900 0.095 0.000 1.166 935 Y CA -0.624 57.745 58.100 0.449 0.000 1.182 935 Y CB 1.210 40.082 38.460 0.688 0.000 1.216 935 Y HN 0.434 nan 8.280 nan 0.000 0.474 936 K N 6.882 126.632 120.400 -1.084 0.000 2.449 936 K HA 0.286 4.610 4.320 0.006 0.000 0.257 936 K C -2.589 173.370 176.600 -1.069 0.000 0.989 936 K CA -2.362 53.425 56.287 -0.833 0.000 0.916 936 K CB 1.376 33.629 32.500 -0.411 0.000 1.136 936 K HN 0.471 nan 8.250 nan 0.000 0.439 937 P HA -0.079 nan 4.420 nan 0.000 0.310 937 P C 0.675 177.817 177.300 -0.264 0.000 1.512 937 P CA 0.695 63.557 63.100 -0.398 0.000 0.753 937 P CB -0.027 31.482 31.700 -0.317 0.000 1.608 938 M N 0.766 120.181 119.600 -0.308 0.000 1.865 938 M HA 0.017 4.501 4.480 0.006 0.000 0.180 938 M C 1.018 177.222 176.300 -0.160 0.000 1.415 938 M CA 1.156 56.342 55.300 -0.191 0.000 1.128 938 M CB 0.056 32.545 32.600 -0.184 0.000 0.843 938 M HN -0.170 nan 8.290 nan 0.000 0.465 939 E N 0.268 120.374 120.200 -0.157 0.000 2.368 939 E HA 0.290 4.644 4.350 0.006 0.000 0.188 939 E C 0.401 176.910 176.600 -0.153 0.000 1.061 939 E CA 0.253 56.581 56.400 -0.119 0.000 0.933 939 E CB -0.601 29.047 29.700 -0.086 0.000 1.091 939 E HN 0.930 nan 8.360 nan 0.000 0.458 940 G N 1.513 110.156 108.800 -0.262 0.000 2.351 940 G HA2 -0.331 3.633 3.960 0.006 0.000 0.297 940 G HA3 -0.331 3.633 3.960 0.006 0.000 0.297 940 G C -0.681 174.005 174.900 -0.357 0.000 1.054 940 G CA 0.453 45.355 45.100 -0.330 0.000 1.123 940 G HN 0.520 nan 8.290 nan 0.000 0.512 941 N N -1.191 117.224 118.700 -0.476 0.000 2.402 941 N HA 0.677 5.421 4.740 0.006 0.000 0.294 941 N C -0.278 175.099 175.510 -0.221 0.000 1.203 941 N CA -0.972 51.902 53.050 -0.293 0.000 0.838 941 N CB 1.182 39.579 38.487 -0.151 0.000 1.306 941 N HN 0.068 nan 8.380 nan 0.000 0.510 942 F N 0.961 120.904 119.950 -0.013 0.000 2.410 942 F HA 0.205 4.735 4.527 0.005 0.000 0.348 942 F C 0.764 176.580 175.800 0.027 0.000 1.106 942 F CA -0.403 57.620 58.000 0.038 0.000 1.163 942 F CB 1.130 40.180 39.000 0.083 0.000 1.129 942 F HN 0.283 nan 8.300 nan 0.000 0.516 943 E N 3.648 124.004 120.200 0.259 0.000 2.191 943 E HA 0.076 4.430 4.350 0.006 0.000 0.263 943 E C -1.001 175.668 176.600 0.116 0.000 0.881 943 E CA -0.633 55.856 56.400 0.149 0.000 0.757 943 E CB 1.451 31.203 29.700 0.087 0.000 1.147 943 E HN 0.631 nan 8.360 nan 0.000 0.414 944 E N 5.360 125.632 120.200 0.119 0.000 1.865 944 E HA 0.040 4.394 4.350 0.006 0.000 0.269 944 E C 0.704 177.334 176.600 0.049 0.000 1.177 944 E CA -0.113 56.331 56.400 0.075 0.000 0.932 944 E CB 0.175 29.976 29.700 0.169 0.000 1.066 944 E HN 0.638 nan 8.360 nan 0.000 0.405 945 I N 3.563 124.152 120.570 0.031 0.000 2.118 945 I HA -0.230 3.944 4.170 0.006 0.000 0.241 945 I C 0.955 177.104 176.117 0.053 0.000 1.070 945 I CA 1.896 63.226 61.300 0.050 0.000 1.327 945 I CB -0.009 38.026 38.000 0.059 0.000 1.034 945 I HN 0.580 nan 8.210 nan 0.000 0.405 946 A N -1.260 121.578 122.820 0.029 0.000 2.564 946 A HA 0.816 5.140 4.320 0.006 0.000 0.291 946 A C -0.663 176.921 177.584 -0.001 0.000 1.102 946 A CA -0.729 51.337 52.037 0.049 0.000 0.660 946 A CB 1.138 20.197 19.000 0.097 0.000 1.283 946 A HN 0.188 nan 8.150 nan 0.000 0.430 947 R N -0.395 120.123 120.500 0.031 0.000 3.006 947 R HA 0.803 5.147 4.340 0.006 0.000 0.261 947 R C -1.974 174.376 176.300 0.084 0.000 1.113 947 R CA -0.655 55.417 56.100 -0.047 0.000 0.973 947 R CB 0.807 30.944 30.300 -0.271 0.000 1.341 947 R HN 0.540 nan 8.270 nan 0.000 0.437 948 D N -0.134 120.265 120.400 -0.001 0.000 2.788 948 D HA 0.330 4.974 4.640 0.006 0.000 0.247 948 D C -1.564 174.776 176.300 0.067 0.000 1.236 948 D CA -0.609 53.477 54.000 0.142 0.000 0.898 948 D CB 1.226 42.077 40.800 0.084 0.000 1.401 948 D HN 0.369 nan 8.370 nan 0.000 0.549 949 F N 3.384 123.315 119.950 -0.032 0.000 2.509 949 F HA 0.415 4.946 4.527 0.006 0.000 0.344 949 F C 0.602 176.377 175.800 -0.041 0.000 1.197 949 F CA -0.529 57.456 58.000 -0.026 0.000 1.294 949 F CB -0.423 38.591 39.000 0.023 0.000 1.643 949 F HN 0.162 nan 8.300 nan 0.000 0.596 950 N N 1.380 120.101 118.700 0.035 0.000 3.492 950 N HA 0.651 5.395 4.740 0.006 0.000 0.352 950 N C -2.771 172.738 175.510 -0.002 0.000 1.517 950 N CA -1.295 51.755 53.050 0.001 0.000 0.629 950 N CB 0.964 39.393 38.487 -0.096 0.000 2.162 950 N HN -0.136 nan 8.380 nan 0.000 0.598 951 P HA 0.336 nan 4.420 nan 0.000 0.164 951 P C -2.111 175.261 177.300 0.120 0.000 1.695 951 P CA -0.367 62.755 63.100 0.036 0.000 1.448 951 P CB 0.495 32.241 31.700 0.077 0.000 1.729 952 N N 1.461 120.219 118.700 0.097 0.000 2.457 952 N HA 0.165 4.909 4.740 0.006 0.000 0.250 952 N C -0.591 175.061 175.510 0.236 0.000 0.982 952 N CA -0.235 52.941 53.050 0.209 0.000 0.941 952 N CB 0.910 39.517 38.487 0.200 0.000 1.120 952 N HN 0.193 nan 8.380 nan 0.000 0.505 953 W N 3.250 124.562 121.300 0.019 0.000 2.771 953 W HA 0.101 4.765 4.660 0.006 0.000 0.407 953 W C 0.579 177.108 176.519 0.016 0.000 1.221 953 W CA -0.346 57.011 57.345 0.020 0.000 1.539 953 W CB -0.433 29.032 29.460 0.008 0.000 1.647 953 W HN 0.222 nan 8.180 nan 0.000 0.469 954 M N 2.088 121.806 119.600 0.196 0.000 2.250 954 M HA -0.011 4.473 4.480 0.006 0.000 0.325 954 M C 1.435 177.762 176.300 0.045 0.000 1.084 954 M CA 0.573 55.934 55.300 0.102 0.000 1.161 954 M CB 0.342 33.020 32.600 0.129 0.000 1.481 954 M HN 0.505 nan 8.290 nan 0.000 0.449 955 S N -0.454 115.085 115.700 -0.267 0.000 2.619 955 S HA 0.588 5.062 4.470 0.006 0.000 0.238 955 S C 0.305 174.363 174.600 -0.904 0.000 1.068 955 S CA 0.199 58.156 58.200 -0.406 0.000 0.926 955 S CB 0.591 63.399 63.200 -0.653 0.000 0.864 955 S HN 0.902 nan 8.310 nan 0.000 0.493 956 A N 0.389 122.740 122.820 -0.782 0.000 2.589 956 A HA 0.760 5.084 4.320 0.006 0.000 0.296 956 A C -1.411 176.081 177.584 -0.153 0.000 1.062 956 A CA -0.582 51.077 52.037 -0.630 0.000 0.686 956 A CB 1.645 20.242 19.000 -0.672 0.000 1.282 956 A HN 0.538 nan 8.150 nan 0.000 0.404 957 V N 0.629 120.595 119.914 0.087 0.000 3.049 957 V HA 0.884 5.008 4.120 0.006 0.000 0.309 957 V C -0.724 175.417 176.094 0.079 0.000 1.148 957 V CA -0.357 61.976 62.300 0.055 0.000 0.990 957 V CB 2.302 34.129 31.823 0.007 0.000 1.039 957 V HN 1.194 nan 8.190 nan 0.000 0.430 958 E N 1.720 121.818 120.200 -0.169 0.000 2.429 958 E HA 0.638 4.992 4.350 0.006 0.000 0.280 958 E C -2.050 174.523 176.600 -0.046 0.000 1.068 958 E CA -0.471 55.840 56.400 -0.149 0.000 0.837 958 E CB 1.885 31.279 29.700 -0.509 0.000 1.357 958 E HN 0.541 nan 8.360 nan 0.000 0.455 959 I N 3.810 124.449 120.570 0.116 0.000 2.447 959 I HA 0.270 4.444 4.170 0.006 0.000 0.287 959 I C 0.652 176.907 176.117 0.229 0.000 1.023 959 I CA -0.507 60.931 61.300 0.230 0.000 1.083 959 I CB 1.395 39.541 38.000 0.245 0.000 1.245 959 I HN 0.527 nan 8.210 nan 0.000 0.434 960 L N 3.808 125.098 121.223 0.113 0.000 2.202 960 L HA 0.217 4.561 4.340 0.006 0.000 0.205 960 L C 0.013 176.930 176.870 0.079 0.000 1.083 960 L CA 0.473 55.369 54.840 0.093 0.000 0.790 960 L CB -0.462 41.572 42.059 -0.042 0.000 0.942 960 L HN 0.708 nan 8.230 nan 0.000 0.452 961 D N -3.597 116.814 120.400 0.019 0.000 2.738 961 D HA 0.051 4.695 4.640 0.006 0.000 0.308 961 D C -0.369 175.928 176.300 -0.005 0.000 1.311 961 D CA -0.609 53.392 54.000 0.002 0.000 0.799 961 D CB 0.388 41.165 40.800 -0.038 0.000 1.332 961 D HN -0.194 nan 8.370 nan 0.000 0.441 962 D N -0.721 119.686 120.400 0.012 0.000 2.292 962 D HA -0.116 4.528 4.640 0.006 0.000 0.205 962 D C 0.439 176.745 176.300 0.010 0.000 0.994 962 D CA 1.654 55.688 54.000 0.058 0.000 0.897 962 D CB -0.022 40.798 40.800 0.033 0.000 0.907 962 D HN 0.406 nan 8.370 nan 0.000 0.467 963 D N -1.385 118.865 120.400 -0.250 0.000 2.457 963 D HA 0.040 4.684 4.640 0.006 0.000 0.254 963 D C -0.052 175.480 176.300 -1.280 0.000 1.097 963 D CA -0.127 53.565 54.000 -0.514 0.000 0.870 963 D CB 0.072 40.703 40.800 -0.281 0.000 1.253 963 D HN 0.011 nan 8.370 nan 0.000 0.500 964 N N 0.699 118.808 118.700 -0.985 0.000 2.426 964 N HA 0.288 5.031 4.740 0.006 0.000 0.257 964 N C -1.191 173.949 175.510 -0.616 0.000 1.002 964 N CA -0.114 52.465 53.050 -0.785 0.000 0.942 964 N CB 0.526 38.797 38.487 -0.360 0.000 1.112 964 N HN -0.060 nan 8.380 nan 0.000 0.499 965 F N 2.289 122.195 119.950 -0.073 0.000 2.434 965 F HA 0.374 4.904 4.527 0.005 0.000 0.355 965 F C 0.391 176.070 175.800 -0.202 0.000 1.115 965 F CA -0.984 56.952 58.000 -0.107 0.000 1.010 965 F CB 1.283 40.255 39.000 -0.045 0.000 1.234 965 F HN 0.063 nan 8.300 nan 0.000 0.439 966 L N 2.838 123.961 121.223 -0.167 0.000 2.397 966 L HA 0.713 5.056 4.340 0.006 0.000 0.271 966 L C 0.341 176.877 176.870 -0.557 0.000 1.148 966 L CA -0.037 54.544 54.840 -0.431 0.000 0.825 966 L CB 1.154 42.771 42.059 -0.738 0.000 1.117 966 L HN 0.818 nan 8.230 nan 0.000 0.456 967 G N 2.510 110.861 108.800 -0.748 0.000 2.719 967 G HA2 0.710 4.673 3.960 0.006 0.000 0.298 967 G HA3 0.710 4.673 3.960 0.006 0.000 0.298 967 G C -1.798 172.792 174.900 -0.517 0.000 1.411 967 G CA -0.202 44.392 45.100 -0.845 0.000 0.991 967 G HN 0.836 nan 8.290 nan 0.000 0.509 968 A N 1.252 123.940 122.820 -0.220 0.000 2.413 968 A HA 0.989 5.313 4.320 0.006 0.000 0.307 968 A C -0.567 176.870 177.584 -0.245 0.000 1.087 968 A CA -0.586 51.312 52.037 -0.232 0.000 0.750 968 A CB 2.416 21.203 19.000 -0.356 0.000 1.296 968 A HN 1.160 nan 8.150 nan 0.000 0.423 969 E N 1.101 121.124 120.200 -0.295 0.000 2.416 969 E HA 0.141 4.495 4.350 0.006 0.000 0.280 969 E C -0.040 176.332 176.600 -0.381 0.000 1.055 969 E CA -0.590 55.664 56.400 -0.244 0.000 0.825 969 E CB 0.263 29.989 29.700 0.044 0.000 1.312 969 E HN 0.441 nan 8.360 nan 0.000 0.452 970 N N 1.122 119.687 118.700 -0.224 0.000 2.322 970 N HA -0.298 4.445 4.740 0.006 0.000 0.182 970 N C 0.877 176.041 175.510 -0.577 0.000 0.802 970 N CA 3.384 56.301 53.050 -0.221 0.000 0.932 970 N CB -0.293 38.118 38.487 -0.126 0.000 1.030 970 N HN 0.597 nan 8.380 nan 0.000 0.946 971 A N -1.723 120.723 122.820 -0.623 0.000 2.713 971 A HA 0.429 4.752 4.320 0.006 0.000 0.296 971 A C -0.118 177.011 177.584 -0.758 0.000 1.255 971 A CA -0.303 51.259 52.037 -0.792 0.000 0.955 971 A CB -0.728 18.062 19.000 -0.351 0.000 1.149 971 A HN 0.324 nan 8.150 nan 0.000 0.538 972 F N -1.418 118.380 119.950 -0.253 0.000 3.074 972 F HA -0.234 4.297 4.527 0.006 0.000 0.289 972 F C 0.190 175.594 175.800 -0.660 0.000 0.863 972 F CA 0.339 58.081 58.000 -0.430 0.000 1.121 972 F CB -2.294 36.460 39.000 -0.410 0.000 1.169 972 F HN 0.394 nan 8.300 nan 0.000 0.570 973 N N 1.344 119.788 118.700 -0.425 0.000 2.417 973 N HA 0.745 5.489 4.740 0.006 0.000 0.300 973 N C -0.229 175.164 175.510 -0.196 0.000 1.102 973 N CA -0.591 52.225 53.050 -0.390 0.000 0.886 973 N CB 2.065 40.165 38.487 -0.646 0.000 1.203 973 N HN 0.123 nan 8.380 nan 0.000 0.496 974 L N 1.455 122.598 121.223 -0.134 0.000 2.334 974 L HA 0.641 4.985 4.340 0.006 0.000 0.272 974 L C -0.641 176.335 176.870 0.177 0.000 1.020 974 L CA -0.944 53.825 54.840 -0.117 0.000 0.812 974 L CB 0.897 42.737 42.059 -0.365 0.000 1.264 974 L HN 0.562 nan 8.230 nan 0.000 0.439 975 F N 0.506 120.540 119.950 0.140 0.000 2.693 975 F HA 0.772 5.302 4.527 0.006 0.000 0.309 975 F C -1.743 174.194 175.800 0.230 0.000 1.129 975 F CA -0.979 57.185 58.000 0.273 0.000 0.948 975 F CB 1.072 40.232 39.000 0.266 0.000 1.315 975 F HN 0.048 nan 8.300 nan 0.000 0.447 976 V N 1.339 121.566 119.914 0.522 0.000 2.823 976 V HA 0.689 4.812 4.120 0.006 0.000 0.312 976 V C -0.884 175.393 176.094 0.306 0.000 1.072 976 V CA -0.694 61.749 62.300 0.239 0.000 0.937 976 V CB 1.927 33.766 31.823 0.027 0.000 1.013 976 V HN 1.133 nan 8.190 nan 0.000 0.430 977 C N 3.394 122.820 119.300 0.210 0.000 2.547 977 C HA 0.735 5.199 4.460 0.006 0.000 0.313 977 C C -0.100 174.877 174.990 -0.022 0.000 1.191 977 C CA -0.798 58.333 59.018 0.189 0.000 1.474 977 C CB 1.484 29.450 27.740 0.377 0.000 2.081 977 C HN 1.016 nan 8.230 nan 0.000 0.476 978 Q N 2.468 122.231 119.800 -0.061 0.000 2.814 978 Q HA 0.714 5.058 4.340 0.006 0.000 0.283 978 Q C -1.224 174.781 176.000 0.009 0.000 1.071 978 Q CA -0.868 54.843 55.803 -0.154 0.000 0.849 978 Q CB 1.433 30.042 28.738 -0.216 0.000 1.437 978 Q HN 0.630 nan 8.270 nan 0.000 0.492 979 K N 0.614 121.021 120.400 0.012 0.000 2.203 979 K HA 0.349 4.672 4.320 0.006 0.000 0.251 979 K C -0.997 175.621 176.600 0.029 0.000 0.944 979 K CA -0.630 55.700 56.287 0.072 0.000 0.829 979 K CB 1.599 34.175 32.500 0.126 0.000 1.125 979 K HN 0.601 nan 8.250 nan 0.000 0.430 980 D N 0.810 121.234 120.400 0.041 0.000 2.424 980 D HA 0.004 4.648 4.640 0.006 0.000 0.244 980 D C -0.673 175.633 176.300 0.011 0.000 1.134 980 D CA 0.351 54.361 54.000 0.017 0.000 0.881 980 D CB 0.717 41.531 40.800 0.023 0.000 1.191 980 D HN 0.433 nan 8.370 nan 0.000 0.445 981 S N 1.698 117.395 115.700 -0.004 0.000 3.729 981 S HA 0.543 5.017 4.470 0.006 0.000 0.235 981 S C -0.570 174.028 174.600 -0.002 0.000 1.367 981 S CA -0.523 57.676 58.200 -0.002 0.000 0.907 981 S CB -0.243 62.952 63.200 -0.009 0.000 1.471 981 S HN 0.491 nan 8.310 nan 0.000 0.476 982 A N 2.167 124.989 122.820 0.003 0.000 2.455 982 A HA 0.844 5.167 4.320 0.006 0.000 0.300 982 A C 0.065 177.650 177.584 0.002 0.000 1.040 982 A CA -0.715 51.321 52.037 -0.002 0.000 0.697 982 A CB 0.984 19.980 19.000 -0.007 0.000 1.265 982 A HN 0.759 nan 8.150 nan 0.000 0.407 983 A N 1.766 124.584 122.820 -0.002 0.000 2.536 983 A HA 0.506 4.830 4.320 0.006 0.000 0.234 983 A C 1.238 178.820 177.584 -0.002 0.000 1.076 983 A CA 1.309 53.346 52.037 -0.001 0.000 0.769 983 A CB -0.650 18.348 19.000 -0.005 0.000 1.020 983 A HN 2.747 nan 8.150 nan 0.000 0.508 984 T N -1.625 112.930 114.554 0.000 0.000 4.125 984 T HA -0.188 4.166 4.350 0.006 0.000 0.357 984 T C 0.303 175.008 174.700 0.008 0.000 0.756 984 T CA 1.347 63.447 62.100 -0.000 0.000 1.980 984 T CB -2.940 65.921 68.868 -0.010 0.000 1.834 984 T HN 2.416 nan 8.240 nan 0.000 0.876 985 T N -2.115 112.448 114.554 0.016 0.000 3.802 985 T HA 0.378 4.731 4.350 0.006 0.000 0.243 985 T C 0.417 175.140 174.700 0.038 0.000 0.934 985 T CA 0.463 62.581 62.100 0.029 0.000 0.931 985 T CB -0.310 68.576 68.868 0.031 0.000 1.167 985 T HN 0.576 nan 8.240 nan 0.000 0.655 986 D N -0.830 119.591 120.400 0.035 0.000 2.527 986 D HA 0.255 4.899 4.640 0.006 0.000 0.224 986 D C 1.254 177.591 176.300 0.061 0.000 1.217 986 D CA -0.113 53.913 54.000 0.045 0.000 0.819 986 D CB 0.672 41.490 40.800 0.031 0.000 1.061 986 D HN 0.407 nan 8.370 nan 0.000 0.515 987 E N -0.430 119.806 120.200 0.061 0.000 3.151 987 E HA 0.129 4.483 4.350 0.006 0.000 0.246 987 E C 0.760 177.413 176.600 0.089 0.000 1.150 987 E CA 0.209 56.662 56.400 0.088 0.000 1.806 987 E CB 0.160 29.845 29.700 -0.026 0.000 2.295 987 E HN -0.016 nan 8.360 nan 0.000 1.000 988 E N 0.361 120.564 120.200 0.006 0.000 2.510 988 E HA -0.156 4.198 4.350 0.006 0.000 0.202 988 E C 1.331 177.967 176.600 0.060 0.000 1.072 988 E CA 0.589 56.989 56.400 -0.000 0.000 0.883 988 E CB 0.231 29.919 29.700 -0.019 0.000 0.818 988 E HN -0.118 nan 8.360 nan 0.000 0.548 989 R N 0.011 120.567 120.500 0.094 0.000 2.225 989 R HA 0.041 4.385 4.340 0.006 0.000 0.194 989 R C 1.659 178.039 176.300 0.133 0.000 0.949 989 R CA 0.484 56.643 56.100 0.099 0.000 1.088 989 R CB 0.177 30.521 30.300 0.075 0.000 1.106 989 R HN -0.125 nan 8.270 nan 0.000 0.566 990 Q N 0.113 120.014 119.800 0.168 0.000 2.515 990 Q HA 0.042 4.385 4.340 0.006 0.000 0.212 990 Q C -0.765 175.274 176.000 0.066 0.000 0.970 990 Q CA 0.813 56.698 55.803 0.137 0.000 0.941 990 Q CB 0.033 28.857 28.738 0.143 0.000 0.998 990 Q HN 0.357 nan 8.270 nan 0.000 0.518 991 H N -0.474 118.658 119.070 0.103 0.000 2.679 991 H HA 0.414 4.973 4.556 0.006 0.000 0.360 991 H C -1.230 174.160 175.328 0.102 0.000 1.105 991 H CA -1.115 54.999 56.048 0.111 0.000 1.196 991 H CB 1.457 31.169 29.762 -0.084 0.000 1.636 991 H HN -0.057 nan 8.280 nan 0.000 0.531 992 L N 0.525 121.886 121.223 0.230 0.000 2.385 992 L HA 0.515 4.859 4.340 0.006 0.000 0.273 992 L C -0.393 176.559 176.870 0.137 0.000 0.990 992 L CA -1.144 53.797 54.840 0.168 0.000 0.821 992 L CB 1.474 43.649 42.059 0.192 0.000 1.279 992 L HN 0.387 nan 8.230 nan 0.000 0.412 993 Q N 1.091 120.939 119.800 0.080 0.000 2.222 993 Q HA 0.437 4.780 4.340 0.006 0.000 0.252 993 Q C -0.663 175.351 176.000 0.022 0.000 0.926 993 Q CA -0.217 55.606 55.803 0.034 0.000 0.899 993 Q CB 1.604 30.340 28.738 -0.003 0.000 1.250 993 Q HN 0.579 nan 8.270 nan 0.000 0.441 994 E N 1.790 121.980 120.200 -0.018 0.000 1.858 994 E HA 0.001 4.355 4.350 0.006 0.000 0.267 994 E C 0.380 176.970 176.600 -0.016 0.000 1.215 994 E CA -0.001 56.388 56.400 -0.020 0.000 0.952 994 E CB 0.173 29.777 29.700 -0.160 0.000 1.058 994 E HN 0.516 nan 8.360 nan 0.000 0.407 995 V N 0.469 120.378 119.914 -0.008 0.000 3.623 995 V HA 0.276 4.400 4.120 0.006 0.000 0.271 995 V C 0.648 176.699 176.094 -0.072 0.000 1.248 995 V CA 0.476 62.731 62.300 -0.074 0.000 1.156 995 V CB 0.322 32.056 31.823 -0.149 0.000 0.870 995 V HN 0.386 nan 8.190 nan 0.000 0.453 996 G N 0.508 109.337 108.800 0.050 0.000 2.701 996 G HA2 0.706 4.670 3.960 0.006 0.000 0.300 996 G HA3 0.706 4.670 3.960 0.006 0.000 0.300 996 G C -1.516 173.675 174.900 0.484 0.000 1.410 996 G CA -0.736 44.466 45.100 0.170 0.000 1.014 996 G HN 0.283 nan 8.290 nan 0.000 0.509 997 L N 0.880 122.442 121.223 0.566 0.000 2.393 997 L HA 0.822 5.165 4.340 0.006 0.000 0.260 997 L C -1.325 175.876 176.870 0.551 0.000 1.002 997 L CA -1.000 54.166 54.840 0.543 0.000 0.818 997 L CB 2.831 45.055 42.059 0.276 0.000 1.369 997 L HN 0.532 nan 8.230 nan 0.000 0.412 998 F N 0.183 120.193 119.950 0.101 0.000 2.680 998 F HA 0.307 4.838 4.527 0.007 0.000 0.315 998 F C -1.142 174.494 175.800 -0.274 0.000 1.099 998 F CA -0.486 57.371 58.000 -0.239 0.000 1.033 998 F CB 1.375 39.836 39.000 -0.899 0.000 1.285 998 F HN 0.523 nan 8.300 nan 0.000 0.457 999 H N 6.330 124.862 119.070 -0.897 0.000 2.556 999 H HA 0.429 4.989 4.556 0.006 0.000 0.310 999 H C 0.034 174.826 175.328 -0.892 0.000 1.057 999 H CA -0.204 55.382 56.048 -0.769 0.000 1.264 999 H CB 1.310 30.599 29.762 -0.788 0.000 1.404 999 H HN 0.774 nan 8.280 nan 0.000 0.462 1000 L N 3.756 124.585 121.223 -0.656 0.000 2.145 1000 L HA 0.172 4.516 4.340 0.006 0.000 0.201 1000 L C 1.106 177.763 176.870 -0.355 0.000 1.075 1000 L CA 1.340 55.986 54.840 -0.323 0.000 0.773 1000 L CB -0.109 41.835 42.059 -0.191 0.000 0.936 1000 L HN 1.067 nan 8.230 nan 0.000 0.451 1001 G N 0.354 108.850 108.800 -0.506 0.000 2.130 1001 G HA2 -0.165 3.799 3.960 0.006 0.000 0.216 1001 G HA3 -0.165 3.799 3.960 0.006 0.000 0.216 1001 G C -0.157 174.663 174.900 -0.133 0.000 0.999 1001 G CA -0.118 44.865 45.100 -0.195 0.000 0.686 1001 G HN 0.359 nan 8.290 nan 0.000 0.515 1002 E N -1.233 118.920 120.200 -0.078 0.000 2.383 1002 E HA 0.549 4.903 4.350 0.006 0.000 0.275 1002 E C -1.316 175.428 176.600 0.240 0.000 0.918 1002 E CA -0.918 55.500 56.400 0.029 0.000 0.764 1002 E CB 1.828 31.578 29.700 0.083 0.000 1.252 1002 E HN 0.150 nan 8.360 nan 0.000 0.449 1003 F N 2.122 122.183 119.950 0.185 0.000 2.391 1003 F HA 0.295 4.826 4.527 0.006 0.000 0.359 1003 F C -0.417 175.391 175.800 0.014 0.000 1.122 1003 F CA -0.545 57.580 58.000 0.208 0.000 1.120 1003 F CB 0.707 39.861 39.000 0.256 0.000 1.142 1003 F HN 0.069 nan 8.300 nan 0.000 0.483 1004 V N 7.517 127.232 119.914 -0.332 0.000 2.432 1004 V HA 0.131 4.255 4.120 0.006 0.000 0.275 1004 V C 0.527 176.460 176.094 -0.268 0.000 1.043 1004 V CA -0.424 61.699 62.300 -0.296 0.000 0.925 1004 V CB 1.234 32.705 31.823 -0.586 0.000 0.985 1004 V HN 0.785 nan 8.190 nan 0.000 0.466 1005 N N 2.887 121.551 118.700 -0.060 0.000 2.409 1005 N HA 0.077 4.820 4.740 0.006 0.000 0.174 1005 N C 0.017 175.434 175.510 -0.155 0.000 1.037 1005 N CA 0.721 53.755 53.050 -0.026 0.000 0.898 1005 N CB 1.501 40.028 38.487 0.067 0.000 1.010 1005 N HN 0.496 nan 8.380 nan 0.000 0.445 1006 V N 0.277 120.046 119.914 -0.242 0.000 2.817 1006 V HA 0.478 4.602 4.120 0.006 0.000 0.303 1006 V C -1.805 174.125 176.094 -0.273 0.000 1.151 1006 V CA -0.847 61.337 62.300 -0.193 0.000 0.929 1006 V CB 1.333 33.128 31.823 -0.046 0.000 1.030 1006 V HN -0.098 nan 8.190 nan 0.000 0.427 1007 F N 5.422 125.373 119.950 0.001 0.000 2.470 1007 F HA 0.878 5.409 4.527 0.007 0.000 0.329 1007 F C 0.379 176.191 175.800 0.020 0.000 1.072 1007 F CA -0.050 57.958 58.000 0.015 0.000 0.989 1007 F CB 1.880 40.850 39.000 -0.051 0.000 1.193 1007 F HN 0.964 nan 8.300 nan 0.000 0.481 1008 C N 0.295 119.727 119.300 0.219 0.000 3.241 1008 C HA 0.403 4.867 4.460 0.006 0.000 0.348 1008 C C -0.983 174.045 174.990 0.064 0.000 1.180 1008 C CA -1.027 58.085 59.018 0.157 0.000 1.273 1008 C CB 0.748 28.578 27.740 0.149 0.000 1.620 1008 C HN 0.867 nan 8.230 nan 0.000 0.510 1009 H N 1.465 120.595 119.070 0.100 0.000 2.848 1009 H HA 0.545 5.105 4.556 0.007 0.000 0.341 1009 H C 0.775 176.143 175.328 0.067 0.000 1.060 1009 H CA 1.712 57.804 56.048 0.073 0.000 1.444 1009 H CB 1.148 30.944 29.762 0.057 0.000 1.446 1009 H HN 1.322 nan 8.280 nan 0.000 0.583 1010 G N 0.304 109.190 108.800 0.143 0.000 2.320 1010 G HA2 0.322 4.285 3.960 0.006 0.000 0.297 1010 G HA3 0.322 4.285 3.960 0.006 0.000 0.297 1010 G C -1.440 173.499 174.900 0.064 0.000 1.344 1010 G CA -0.098 45.060 45.100 0.095 0.000 0.851 1010 G HN 0.702 nan 8.290 nan 0.000 0.567 1011 S N -1.677 114.052 115.700 0.049 0.000 2.578 1011 S HA 0.520 4.993 4.470 0.006 0.000 0.272 1011 S C -0.210 174.410 174.600 0.034 0.000 1.145 1011 S CA -0.484 57.740 58.200 0.040 0.000 0.835 1011 S CB 1.079 64.302 63.200 0.038 0.000 1.104 1011 S HN 0.972 nan 8.310 nan 0.000 0.458 1012 L N 2.413 123.657 121.223 0.035 0.000 2.640 1012 L HA 0.314 4.658 4.340 0.006 0.000 0.230 1012 L C 0.546 177.428 176.870 0.020 0.000 1.123 1012 L CA 0.062 54.919 54.840 0.028 0.000 0.900 1012 L CB 0.312 42.390 42.059 0.032 0.000 1.146 1012 L HN 0.610 nan 8.230 nan 0.000 0.484 1013 V N -3.507 116.417 119.914 0.017 0.000 3.624 1013 V HA 0.690 4.813 4.120 0.006 0.000 0.297 1013 V C 0.247 176.338 176.094 -0.004 0.000 1.319 1013 V CA -1.000 61.300 62.300 -0.001 0.000 0.990 1013 V CB 1.067 32.881 31.823 -0.014 0.000 1.247 1013 V HN 0.381 nan 8.190 nan 0.000 0.476 1014 M N -2.085 117.505 119.600 -0.016 0.000 7.319 1014 M HA -0.143 4.341 4.480 0.006 0.000 0.168 1014 M C -0.306 175.987 176.300 -0.013 0.000 0.480 1014 M CA 0.774 56.063 55.300 -0.017 0.000 1.311 1014 M CB -1.772 30.820 32.600 -0.013 0.000 0.421 1014 M HN 1.027 nan 8.290 nan 0.000 0.198 1024 T N -1.253 113.004 114.554 -0.495 0.000 2.956 1024 T HA 0.677 5.030 4.350 0.006 0.000 0.312 1024 T C -0.999 173.579 174.700 -0.204 0.000 1.151 1024 T CA -0.498 61.402 62.100 -0.334 0.000 1.024 1024 T CB 3.060 71.739 68.868 -0.316 0.000 1.140 1024 T HN 0.250 nan 8.240 nan 0.000 0.473 1025 Q N 0.618 120.335 119.800 -0.138 0.000 2.297 1025 Q HA 0.616 4.960 4.340 0.006 0.000 0.268 1025 Q C 0.463 176.435 176.000 -0.046 0.000 1.045 1025 Q CA 0.152 55.905 55.803 -0.084 0.000 0.861 1025 Q CB 1.390 30.087 28.738 -0.068 0.000 1.344 1025 Q HN 1.539 nan 8.270 nan 0.000 0.452 1026 G N 0.979 109.769 108.800 -0.017 0.000 2.916 1026 G HA2 -0.173 3.791 3.960 0.006 0.000 0.533 1026 G HA3 -0.173 3.791 3.960 0.006 0.000 0.533 1026 G C -0.706 174.206 174.900 0.019 0.000 1.516 1026 G CA -0.004 45.109 45.100 0.021 0.000 0.944 1026 G HN 0.752 nan 8.290 nan 0.000 0.555 1027 S N -0.833 114.894 115.700 0.044 0.000 2.481 1027 S HA 0.504 4.977 4.470 0.006 0.000 0.262 1027 S C -0.707 173.895 174.600 0.004 0.000 1.061 1027 S CA 0.064 58.282 58.200 0.030 0.000 1.039 1027 S CB 1.061 64.281 63.200 0.035 0.000 1.170 1027 S HN 1.644 nan 8.310 nan 0.000 0.437 1028 V N 5.945 125.838 119.914 -0.035 0.000 2.459 1028 V HA 0.633 4.756 4.120 0.006 0.000 0.295 1028 V C -0.187 175.956 176.094 0.082 0.000 1.029 1028 V CA -0.591 61.655 62.300 -0.090 0.000 0.874 1028 V CB 1.634 33.332 31.823 -0.208 0.000 0.985 1028 V HN 0.830 nan 8.190 nan 0.000 0.438 1029 L N 4.929 126.208 121.223 0.093 0.000 2.334 1029 L HA 0.770 5.114 4.340 0.006 0.000 0.270 1029 L C -0.615 176.376 176.870 0.200 0.000 1.018 1029 L CA -0.342 54.531 54.840 0.056 0.000 0.811 1029 L CB 1.684 43.730 42.059 -0.022 0.000 1.271 1029 L HN 0.728 nan 8.230 nan 0.000 0.443 1030 F N -0.996 118.960 119.950 0.011 0.000 2.626 1030 F HA 0.925 5.455 4.527 0.006 0.000 0.311 1030 F C -0.266 175.463 175.800 -0.118 0.000 1.088 1030 F CA -0.986 56.958 58.000 -0.093 0.000 0.949 1030 F CB 1.546 40.431 39.000 -0.192 0.000 1.322 1030 F HN 0.396 nan 8.300 nan 0.000 0.461 1031 G N 0.101 108.938 108.800 0.062 0.000 2.591 1031 G HA2 0.614 4.578 3.960 0.006 0.000 0.306 1031 G HA3 0.614 4.578 3.960 0.006 0.000 0.306 1031 G C -1.538 173.390 174.900 0.048 0.000 1.334 1031 G CA -0.706 44.394 45.100 -0.001 0.000 0.981 1031 G HN 1.046 nan 8.290 nan 0.000 0.491 1032 T N -1.406 113.183 114.554 0.059 0.000 2.916 1032 T HA 0.399 4.753 4.350 0.006 0.000 0.292 1032 T C 1.123 175.872 174.700 0.080 0.000 1.055 1032 T CA -0.566 61.598 62.100 0.106 0.000 1.009 1032 T CB 1.640 70.588 68.868 0.134 0.000 1.118 1032 T HN 0.371 nan 8.240 nan 0.000 0.497 1033 V N 1.731 121.722 119.914 0.128 0.000 2.764 1033 V HA -0.138 3.985 4.120 0.006 0.000 0.261 1033 V C 1.948 178.046 176.094 0.007 0.000 1.108 1033 V CA 1.882 64.207 62.300 0.043 0.000 1.129 1033 V CB -0.974 30.855 31.823 0.011 0.000 0.701 1033 V HN 0.834 nan 8.190 nan 0.000 0.495 1034 N N -1.052 117.660 118.700 0.020 0.000 2.220 1034 N HA 0.203 4.947 4.740 0.006 0.000 0.195 1034 N C 1.364 176.869 175.510 -0.009 0.000 1.123 1034 N CA 1.006 54.054 53.050 -0.002 0.000 0.874 1034 N CB 1.384 39.870 38.487 -0.003 0.000 0.995 1034 N HN 0.467 nan 8.380 nan 0.000 0.498 1035 G N -0.248 108.545 108.800 -0.010 0.000 2.211 1035 G HA2 -0.206 3.758 3.960 0.006 0.000 0.201 1035 G HA3 -0.206 3.758 3.960 0.006 0.000 0.201 1035 G C 0.108 174.989 174.900 -0.032 0.000 0.997 1035 G CA -0.163 44.922 45.100 -0.026 0.000 0.652 1035 G HN 0.213 nan 8.290 nan 0.000 0.500 1036 M N 1.513 121.104 119.600 -0.015 0.000 2.217 1036 M HA 0.580 5.063 4.480 0.006 0.000 0.354 1036 M C -0.425 175.816 176.300 -0.098 0.000 1.225 1036 M CA 0.123 55.405 55.300 -0.030 0.000 1.137 1036 M CB 0.392 33.008 32.600 0.027 0.000 1.576 1036 M HN 0.177 nan 8.290 nan 0.000 0.461 1037 I N 4.495 124.956 120.570 -0.181 0.000 2.411 1037 I HA 0.407 4.580 4.170 0.006 0.000 0.284 1037 I C 0.470 176.279 176.117 -0.514 0.000 1.012 1037 I CA -0.525 60.575 61.300 -0.333 0.000 1.119 1037 I CB 1.654 39.520 38.000 -0.223 0.000 1.261 1037 I HN 0.762 nan 8.210 nan 0.000 0.448 1038 G N 5.559 113.676 108.800 -1.139 0.000 2.753 1038 G HA2 0.806 4.770 3.960 0.006 0.000 0.285 1038 G HA3 0.806 4.770 3.960 0.006 0.000 0.285 1038 G C -1.525 172.733 174.900 -1.069 0.000 1.344 1038 G CA -0.494 43.891 45.100 -1.191 0.000 1.050 1038 G HN 0.389 nan 8.290 nan 0.000 0.532 1039 L N -0.881 120.119 121.223 -0.371 0.000 2.513 1039 L HA 0.668 5.011 4.340 0.006 0.000 0.261 1039 L C -1.272 175.735 176.870 0.228 0.000 0.945 1039 L CA -0.581 54.241 54.840 -0.031 0.000 0.848 1039 L CB 2.377 44.390 42.059 -0.076 0.000 1.334 1039 L HN 0.370 nan 8.230 nan 0.000 0.407 1040 V N 3.402 123.460 119.914 0.240 0.000 2.444 1040 V HA 0.675 4.799 4.120 0.006 0.000 0.294 1040 V C -0.083 176.082 176.094 0.118 0.000 1.022 1040 V CA -0.324 62.100 62.300 0.206 0.000 0.850 1040 V CB 1.736 33.665 31.823 0.175 0.000 0.992 1040 V HN 0.882 nan 8.190 nan 0.000 0.426 1041 T N 2.682 117.322 114.554 0.143 0.000 2.940 1041 T HA 0.517 4.870 4.350 0.006 0.000 0.288 1041 T C 0.182 174.909 174.700 0.045 0.000 1.033 1041 T CA -0.439 61.699 62.100 0.063 0.000 1.033 1041 T CB 1.809 70.683 68.868 0.011 0.000 1.079 1041 T HN 0.605 nan 8.240 nan 0.000 0.496 1042 S N 0.840 116.537 115.700 -0.005 0.000 2.693 1042 S HA 0.747 5.221 4.470 0.006 0.000 0.276 1042 S C -0.500 174.094 174.600 -0.009 0.000 1.192 1042 S CA -0.744 57.450 58.200 -0.010 0.000 0.994 1042 S CB 0.414 63.597 63.200 -0.029 0.000 1.012 1042 S HN 0.421 nan 8.310 nan 0.000 0.550 1043 L N 0.757 122.007 121.223 0.044 0.000 2.403 1043 L HA 0.532 4.876 4.340 0.006 0.000 0.253 1043 L C -0.524 176.386 176.870 0.067 0.000 1.045 1043 L CA -0.795 54.079 54.840 0.056 0.000 0.845 1043 L CB 2.337 44.513 42.059 0.195 0.000 1.447 1043 L HN 0.735 nan 8.230 nan 0.000 0.411 1044 S N -0.717 115.006 115.700 0.038 0.000 2.442 1044 S HA 0.165 4.638 4.470 0.006 0.000 0.297 1044 S C 0.815 175.352 174.600 -0.104 0.000 1.131 1044 S CA -0.607 57.605 58.200 0.020 0.000 1.092 1044 S CB 1.491 64.740 63.200 0.081 0.000 0.998 1044 S HN 0.723 nan 8.310 nan 0.000 0.478 1045 E N 4.107 124.036 120.200 -0.450 0.000 2.217 1045 E HA -0.379 3.974 4.350 0.006 0.000 0.219 1045 E C 1.671 178.093 176.600 -0.297 0.000 1.070 1045 E CA 2.614 58.499 56.400 -0.858 0.000 0.889 1045 E CB -1.559 27.839 29.700 -0.504 0.000 0.768 1045 E HN 0.823 nan 8.360 nan 0.000 0.465 1046 S N -0.118 115.525 115.700 -0.096 0.000 2.343 1046 S HA -0.177 4.297 4.470 0.006 0.000 0.219 1046 S C 2.019 176.593 174.600 -0.044 0.000 1.033 1046 S CA 1.251 59.421 58.200 -0.050 0.000 1.014 1046 S CB -1.211 61.975 63.200 -0.023 0.000 0.915 1046 S HN 0.455 nan 8.310 nan 0.000 0.435 1047 W N 1.001 122.251 121.300 -0.084 0.000 2.342 1047 W HA -0.026 4.637 4.660 0.006 0.000 0.297 1047 W C 2.419 178.916 176.519 -0.037 0.000 1.213 1047 W CA 0.972 58.281 57.345 -0.061 0.000 1.251 1047 W CB -0.959 28.466 29.460 -0.058 0.000 1.136 1047 W HN 0.493 nan 8.180 nan 0.000 0.526 1048 Y N 1.797 122.125 120.300 0.045 0.000 2.053 1048 Y HA -0.366 4.188 4.550 0.007 0.000 0.277 1048 Y C 2.259 178.159 175.900 0.000 0.000 1.159 1048 Y CA 2.431 60.533 58.100 0.004 0.000 1.125 1048 Y CB -0.894 37.444 38.460 -0.203 0.000 0.969 1048 Y HN -0.140 nan 8.280 nan 0.000 0.492 1049 N N 0.530 119.251 118.700 0.035 0.000 2.142 1049 N HA -0.203 4.541 4.740 0.006 0.000 0.186 1049 N C 2.109 177.548 175.510 -0.119 0.000 1.023 1049 N CA 1.413 54.447 53.050 -0.028 0.000 0.852 1049 N CB -0.719 37.794 38.487 0.043 0.000 0.998 1049 N HN 0.459 nan 8.380 nan 0.000 0.424 1050 L N 0.885 122.014 121.223 -0.157 0.000 2.081 1050 L HA -0.153 4.191 4.340 0.006 0.000 0.212 1050 L C 1.954 178.721 176.870 -0.172 0.000 1.080 1050 L CA 1.143 55.857 54.840 -0.210 0.000 0.754 1050 L CB -0.061 41.771 42.059 -0.377 0.000 0.893 1050 L HN 0.153 nan 8.230 nan 0.000 0.433 1051 L N -1.644 119.489 121.223 -0.152 0.000 2.249 1051 L HA -0.135 4.208 4.340 0.006 0.000 0.207 1051 L C 2.288 179.064 176.870 -0.157 0.000 1.090 1051 L CA 0.275 55.050 54.840 -0.109 0.000 0.802 1051 L CB -0.158 41.901 42.059 -0.000 0.000 0.947 1051 L HN 0.286 nan 8.230 nan 0.000 0.453 1052 L N 0.037 121.082 121.223 -0.296 0.000 1.976 1052 L HA -0.275 4.069 4.340 0.006 0.000 0.209 1052 L C 2.412 179.219 176.870 -0.105 0.000 1.071 1052 L CA 1.775 56.453 54.840 -0.270 0.000 0.746 1052 L CB -0.369 41.467 42.059 -0.371 0.000 0.890 1052 L HN 0.379 nan 8.230 nan 0.000 0.432 1053 D N -0.017 120.331 120.400 -0.086 0.000 2.126 1053 D HA -0.331 4.313 4.640 0.006 0.000 0.190 1053 D C 2.180 178.462 176.300 -0.030 0.000 1.001 1053 D CA 2.339 56.316 54.000 -0.040 0.000 0.841 1053 D CB -0.082 40.692 40.800 -0.043 0.000 0.949 1053 D HN 0.404 nan 8.370 nan 0.000 0.446 1054 M N 0.319 119.890 119.600 -0.049 0.000 2.446 1054 M HA -0.157 4.327 4.480 0.006 0.000 0.263 1054 M C 2.077 178.379 176.300 0.002 0.000 1.066 1054 M CA 1.110 56.397 55.300 -0.022 0.000 1.087 1054 M CB 0.094 32.653 32.600 -0.068 0.000 1.406 1054 M HN -0.001 nan 8.290 nan 0.000 0.459 1055 Q N 0.185 119.972 119.800 -0.021 0.000 2.046 1055 Q HA -0.143 4.201 4.340 0.006 0.000 0.200 1055 Q C 1.547 177.534 176.000 -0.023 0.000 0.975 1055 Q CA 2.028 57.812 55.803 -0.032 0.000 0.836 1055 Q CB -0.131 28.590 28.738 -0.029 0.000 0.896 1055 Q HN 0.738 nan 8.270 nan 0.000 0.428 1056 N N -0.124 118.579 118.700 0.003 0.000 2.106 1056 N HA -0.102 4.642 4.740 0.006 0.000 0.188 1056 N C 1.766 177.293 175.510 0.030 0.000 1.029 1056 N CA 0.583 53.648 53.050 0.024 0.000 0.848 1056 N CB 0.032 38.540 38.487 0.035 0.000 1.007 1056 N HN 0.098 nan 8.380 nan 0.000 0.423 1057 R N 1.005 121.524 120.500 0.032 0.000 2.096 1057 R HA -0.137 4.207 4.340 0.006 0.000 0.240 1057 R C 2.204 178.535 176.300 0.052 0.000 1.139 1057 R CA 1.008 57.134 56.100 0.043 0.000 0.952 1057 R CB -0.930 29.402 30.300 0.053 0.000 0.854 1057 R HN 0.307 nan 8.270 nan 0.000 0.436 1058 L N 1.167 122.427 121.223 0.062 0.000 2.131 1058 L HA -0.171 4.172 4.340 0.006 0.000 0.210 1058 L C 2.119 179.014 176.870 0.041 0.000 1.092 1058 L CA 1.003 55.885 54.840 0.070 0.000 0.759 1058 L CB -0.339 41.777 42.059 0.094 0.000 0.903 1058 L HN 0.227 nan 8.230 nan 0.000 0.435 1059 N N 0.069 118.782 118.700 0.022 0.000 2.106 1059 N HA -0.174 4.570 4.740 0.006 0.000 0.188 1059 N C 1.700 177.246 175.510 0.061 0.000 1.029 1059 N CA 1.109 54.184 53.050 0.041 0.000 0.848 1059 N CB -0.112 38.399 38.487 0.040 0.000 1.007 1059 N HN 0.304 nan 8.380 nan 0.000 0.423 1060 K N 0.649 121.078 120.400 0.049 0.000 2.127 1060 K HA -0.116 4.208 4.320 0.006 0.000 0.208 1060 K C 1.981 178.598 176.600 0.029 0.000 1.047 1060 K CA 1.149 57.461 56.287 0.041 0.000 0.927 1060 K CB -0.116 32.405 32.500 0.035 0.000 0.716 1060 K HN 0.045 nan 8.250 nan 0.000 0.450 1061 V N 1.315 121.243 119.914 0.024 0.000 2.407 1061 V HA -0.095 4.029 4.120 0.006 0.000 0.245 1061 V C 1.354 177.450 176.094 0.003 0.000 1.041 1061 V CA 0.858 63.162 62.300 0.006 0.000 1.040 1061 V CB -0.295 31.524 31.823 -0.007 0.000 0.671 1061 V HN 0.163 nan 8.190 nan 0.000 0.455 1062 I N 2.859 123.441 120.570 0.020 0.000 2.471 1062 I HA 0.110 4.284 4.170 0.006 0.000 0.286 1062 I C 0.582 176.708 176.117 0.015 0.000 1.079 1062 I CA -0.115 61.196 61.300 0.018 0.000 1.398 1062 I CB 0.585 38.615 38.000 0.049 0.000 1.403 1062 I HN 0.225 nan 8.210 nan 0.000 0.530 1063 K N 5.804 126.193 120.400 -0.019 0.000 2.292 1063 K HA 0.205 4.529 4.320 0.006 0.000 0.290 1063 K C -0.101 176.451 176.600 -0.080 0.000 1.083 1063 K CA -0.278 55.985 56.287 -0.041 0.000 0.918 1063 K CB 0.686 33.154 32.500 -0.052 0.000 1.089 1063 K HN 0.590 nan 8.250 nan 0.000 0.473 1064 S N 2.220 117.871 115.700 -0.082 0.000 2.565 1064 S HA 0.090 4.564 4.470 0.006 0.000 0.276 1064 S C 1.334 175.803 174.600 -0.218 0.000 1.326 1064 S CA -0.787 57.291 58.200 -0.203 0.000 1.045 1064 S CB 1.119 64.248 63.200 -0.118 0.000 0.918 1064 S HN 0.340 nan 8.310 nan 0.000 0.505 1065 V N 3.793 123.536 119.914 -0.286 0.000 2.214 1065 V HA -0.050 4.074 4.120 0.006 0.000 0.245 1065 V C 2.368 178.356 176.094 -0.177 0.000 1.047 1065 V CA 2.321 64.498 62.300 -0.206 0.000 0.998 1065 V CB -1.386 30.312 31.823 -0.208 0.000 0.633 1065 V HN 1.068 nan 8.190 nan 0.000 0.446 1066 G N -0.092 108.596 108.800 -0.187 0.000 3.374 1066 G HA2 0.068 4.032 3.960 0.006 0.000 0.252 1066 G HA3 0.068 4.032 3.960 0.006 0.000 0.252 1066 G C 0.481 175.249 174.900 -0.220 0.000 1.326 1066 G CA -0.276 44.732 45.100 -0.153 0.000 1.133 1066 G HN 0.434 nan 8.290 nan 0.000 0.528 1067 K N -0.265 119.969 120.400 -0.277 0.000 3.078 1067 K HA -0.199 4.124 4.320 0.006 0.000 0.261 1067 K C 0.239 176.740 176.600 -0.165 0.000 0.947 1067 K CA 0.684 56.774 56.287 -0.329 0.000 0.702 1067 K CB -1.754 30.269 32.500 -0.795 0.000 1.318 1067 K HN 0.480 nan 8.250 nan 0.000 0.473 1068 I N 0.726 121.270 120.570 -0.042 0.000 2.385 1068 I HA 0.077 4.251 4.170 0.006 0.000 0.294 1068 I C 0.930 177.194 176.117 0.246 0.000 0.988 1068 I CA -0.782 60.569 61.300 0.084 0.000 1.265 1068 I CB 1.231 39.294 38.000 0.105 0.000 1.388 1068 I HN 0.020 nan 8.210 nan 0.000 0.480 1069 E N 4.064 124.389 120.200 0.208 0.000 2.220 1069 E HA -0.056 4.298 4.350 0.006 0.000 0.272 1069 E C 0.990 177.763 176.600 0.288 0.000 1.099 1069 E CA 0.331 56.882 56.400 0.250 0.000 0.907 1069 E CB 0.304 30.121 29.700 0.195 0.000 1.022 1069 E HN 0.470 nan 8.360 nan 0.000 0.428 1070 H N 2.820 121.957 119.070 0.113 0.000 2.362 1070 H HA -0.248 4.312 4.556 0.006 0.000 0.294 1070 H C 1.583 176.876 175.328 -0.058 0.000 1.113 1070 H CA 2.664 58.555 56.048 -0.263 0.000 1.253 1070 H CB 0.246 29.849 29.762 -0.266 0.000 1.363 1070 H HN 0.530 nan 8.280 nan 0.000 0.494 1071 S N -1.041 114.716 115.700 0.094 0.000 2.461 1071 S HA -0.124 4.350 4.470 0.006 0.000 0.228 1071 S C 2.022 176.644 174.600 0.036 0.000 1.005 1071 S CA 0.681 58.912 58.200 0.051 0.000 0.942 1071 S CB -0.610 62.681 63.200 0.151 0.000 0.776 1071 S HN 0.469 nan 8.310 nan 0.000 0.514 1072 F N 1.999 121.941 119.950 -0.014 0.000 2.163 1072 F HA 0.084 4.615 4.527 0.006 0.000 0.297 1072 F C 2.148 177.924 175.800 -0.039 0.000 1.094 1072 F CA 0.945 58.941 58.000 -0.007 0.000 1.290 1072 F CB -0.398 38.629 39.000 0.045 0.000 1.017 1072 F HN 0.350 nan 8.300 nan 0.000 0.483 1073 W N 1.645 122.850 121.300 -0.159 0.000 2.315 1073 W HA -0.236 4.428 4.660 0.007 0.000 0.323 1073 W C 1.364 177.588 176.519 -0.492 0.000 1.233 1073 W CA 1.036 58.185 57.345 -0.326 0.000 1.267 1073 W CB -0.235 29.025 29.460 -0.334 0.000 1.160 1073 W HN -0.201 nan 8.180 nan 0.000 0.474 1074 R N 1.208 121.268 120.500 -0.734 0.000 2.325 1074 R HA 0.092 4.436 4.340 0.006 0.000 0.214 1074 R C 0.035 175.950 176.300 -0.642 0.000 0.961 1074 R CA 0.203 55.708 56.100 -0.992 0.000 1.086 1074 R CB -0.487 29.243 30.300 -0.950 0.000 1.037 1074 R HN -0.086 nan 8.270 nan 0.000 0.493 1075 S N 1.380 116.787 115.700 -0.489 0.000 2.465 1075 S HA 0.170 4.643 4.470 0.006 0.000 0.279 1075 S C -0.180 174.322 174.600 -0.163 0.000 1.201 1075 S CA -0.639 57.407 58.200 -0.256 0.000 1.053 1075 S CB 0.385 63.437 63.200 -0.246 0.000 0.953 1075 S HN 0.267 nan 8.310 nan 0.000 0.488 1076 F N 4.257 124.132 119.950 -0.124 0.000 2.635 1076 F HA 0.057 4.587 4.527 0.006 0.000 0.379 1076 F C 0.352 176.169 175.800 0.029 0.000 1.094 1076 F CA 0.967 58.953 58.000 -0.022 0.000 1.300 1076 F CB 0.269 39.276 39.000 0.011 0.000 1.035 1076 F HN 0.716 nan 8.300 nan 0.000 0.581 1077 H N 3.040 121.846 119.070 -0.440 0.000 3.137 1077 H HA 0.397 4.957 4.556 0.006 0.000 0.336 1077 H C -1.055 174.154 175.328 -0.198 0.000 1.055 1077 H CA -0.041 55.894 56.048 -0.189 0.000 1.349 1077 H CB 1.252 30.852 29.762 -0.270 0.000 1.939 1077 H HN 0.761 nan 8.280 nan 0.000 0.487 1078 T N 1.043 115.232 114.554 -0.608 0.000 2.838 1078 T HA 0.245 4.598 4.350 0.006 0.000 0.292 1078 T C 0.090 174.511 174.700 -0.464 0.000 1.113 1078 T CA -1.002 60.879 62.100 -0.366 0.000 1.008 1078 T CB 1.702 70.506 68.868 -0.106 0.000 1.259 1078 T HN 0.514 nan 8.240 nan 0.000 0.520 1079 E N 0.587 120.680 120.200 -0.179 0.000 2.705 1079 E HA 0.223 4.576 4.350 0.006 0.000 0.272 1079 E C 0.554 177.117 176.600 -0.062 0.000 1.528 1079 E CA -0.068 56.285 56.400 -0.078 0.000 1.750 1079 E CB -0.927 28.769 29.700 -0.005 0.000 1.439 1079 E HN 0.664 nan 8.360 nan 0.000 0.449 1080 R N -0.447 119.994 120.500 -0.097 0.000 2.583 1080 R HA 0.095 4.439 4.340 0.006 0.000 0.051 1080 R C -0.808 175.474 176.300 -0.030 0.000 0.501 1080 R CA -0.356 55.721 56.100 -0.039 0.000 0.740 1080 R CB -1.065 29.232 30.300 -0.006 0.000 0.857 1080 R HN 0.034 nan 8.270 nan 0.000 0.591 1081 K N 0.796 121.158 120.400 -0.063 0.000 2.600 1081 K HA 0.323 4.647 4.320 0.006 0.000 0.262 1081 K C -1.764 174.843 176.600 0.012 0.000 0.935 1081 K CA -0.435 55.853 56.287 0.003 0.000 0.866 1081 K CB 2.142 34.676 32.500 0.056 0.000 1.354 1081 K HN 0.137 nan 8.250 nan 0.000 0.419 1082 T N 3.553 118.150 114.554 0.072 0.000 3.077 1082 T HA 0.253 4.607 4.350 0.006 0.000 0.359 1082 T C -1.395 173.375 174.700 0.116 0.000 1.108 1082 T CA -0.810 61.375 62.100 0.141 0.000 1.170 1082 T CB 0.729 69.712 68.868 0.192 0.000 1.045 1082 T HN 0.398 nan 8.240 nan 0.000 0.505 1083 E N 3.668 123.954 120.200 0.142 0.000 2.242 1083 E HA 0.422 4.776 4.350 0.006 0.000 0.275 1083 E C -2.439 174.220 176.600 0.099 0.000 1.002 1083 E CA -2.887 53.562 56.400 0.080 0.000 0.841 1083 E CB 1.007 30.706 29.700 -0.002 0.000 1.109 1083 E HN 0.271 nan 8.360 nan 0.000 0.394 1084 P HA 0.105 nan 4.420 nan 0.000 0.274 1084 P C -0.713 176.655 177.300 0.114 0.000 1.237 1084 P CA -0.364 62.781 63.100 0.074 0.000 0.793 1084 P CB 0.578 32.327 31.700 0.082 0.000 0.977 1085 A N 1.741 124.634 122.820 0.121 0.000 2.450 1085 A HA 0.475 4.798 4.320 0.006 0.000 0.255 1085 A C 0.642 178.404 177.584 0.296 0.000 1.096 1085 A CA 0.182 52.359 52.037 0.234 0.000 0.778 1085 A CB -0.671 18.470 19.000 0.235 0.000 1.031 1085 A HN 0.635 nan 8.150 nan 0.000 0.494 1086 T N -0.182 114.576 114.554 0.340 0.000 2.841 1086 T HA 0.578 4.932 4.350 0.006 0.000 0.283 1086 T C 0.694 175.585 174.700 0.318 0.000 1.000 1086 T CA 0.389 62.659 62.100 0.282 0.000 0.977 1086 T CB 1.260 70.217 68.868 0.149 0.000 0.979 1086 T HN 2.435 nan 8.240 nan 0.000 0.446 1087 G N 1.643 110.622 108.800 0.297 0.000 2.160 1087 G HA2 -0.184 3.779 3.960 0.006 0.000 0.251 1087 G HA3 -0.184 3.779 3.960 0.006 0.000 0.251 1087 G C -0.241 174.625 174.900 -0.057 0.000 1.008 1087 G CA 0.158 45.285 45.100 0.045 0.000 0.724 1087 G HN 0.791 nan 8.290 nan 0.000 0.514 1088 F N -1.005 119.147 119.950 0.337 0.000 2.588 1088 F HA 0.744 5.275 4.527 0.007 0.000 0.310 1088 F C 0.222 176.087 175.800 0.108 0.000 1.082 1088 F CA -1.099 56.960 58.000 0.098 0.000 0.929 1088 F CB 1.977 40.881 39.000 -0.161 0.000 1.254 1088 F HN -0.038 nan 8.300 nan 0.000 0.455 1089 I N 2.653 123.318 120.570 0.159 0.000 2.512 1089 I HA 0.217 4.391 4.170 0.006 0.000 0.287 1089 I C -1.463 174.532 176.117 -0.204 0.000 1.069 1089 I CA -0.922 60.411 61.300 0.055 0.000 1.056 1089 I CB 1.870 39.919 38.000 0.081 0.000 1.229 1089 I HN 0.444 nan 8.210 nan 0.000 0.429 1090 D N 5.438 125.829 120.400 -0.016 0.000 2.336 1090 D HA 0.138 4.782 4.640 0.006 0.000 0.249 1090 D C 1.264 177.441 176.300 -0.205 0.000 1.213 1090 D CA -0.600 53.328 54.000 -0.120 0.000 0.870 1090 D CB 1.537 42.446 40.800 0.180 0.000 1.076 1090 D HN 0.662 nan 8.370 nan 0.000 0.483 1091 G N 2.756 111.206 108.800 -0.583 0.000 2.503 1091 G HA2 -0.373 3.591 3.960 0.006 0.000 0.221 1091 G HA3 -0.373 3.591 3.960 0.006 0.000 0.221 1091 G C 1.150 176.087 174.900 0.060 0.000 1.131 1091 G CA 0.590 45.607 45.100 -0.137 0.000 0.756 1091 G HN 0.450 nan 8.290 nan 0.000 0.572 1092 D N -0.191 120.238 120.400 0.049 0.000 2.157 1092 D HA -0.151 4.492 4.640 0.006 0.000 0.191 1092 D C 2.261 178.665 176.300 0.173 0.000 1.004 1092 D CA 0.687 54.769 54.000 0.137 0.000 0.854 1092 D CB -0.228 40.679 40.800 0.179 0.000 0.936 1092 D HN 0.265 nan 8.370 nan 0.000 0.446 1093 L N 0.243 121.568 121.223 0.170 0.000 2.049 1093 L HA -0.087 4.256 4.340 0.006 0.000 0.203 1093 L C 2.212 179.157 176.870 0.126 0.000 1.074 1093 L CA 0.762 55.694 54.840 0.153 0.000 0.749 1093 L CB -0.404 41.705 42.059 0.083 0.000 0.907 1093 L HN 0.018 nan 8.230 nan 0.000 0.439 1094 I N 0.673 121.309 120.570 0.109 0.000 2.236 1094 I HA -0.358 3.816 4.170 0.006 0.000 0.249 1094 I C 2.385 178.614 176.117 0.186 0.000 1.102 1094 I CA 1.633 63.014 61.300 0.135 0.000 1.365 1094 I CB -0.922 37.173 38.000 0.159 0.000 1.051 1094 I HN 0.438 nan 8.210 nan 0.000 0.420 1095 E N 0.476 120.787 120.200 0.185 0.000 2.204 1095 E HA -0.134 4.220 4.350 0.006 0.000 0.194 1095 E C 2.231 178.945 176.600 0.189 0.000 0.989 1095 E CA 1.194 57.708 56.400 0.191 0.000 0.824 1095 E CB 0.018 29.825 29.700 0.179 0.000 0.756 1095 E HN 0.450 nan 8.360 nan 0.000 0.477 1096 S N 1.166 116.971 115.700 0.175 0.000 2.374 1096 S HA -0.230 4.244 4.470 0.006 0.000 0.227 1096 S C 1.607 176.300 174.600 0.155 0.000 1.037 1096 S CA 1.136 59.421 58.200 0.143 0.000 1.024 1096 S CB -0.515 62.765 63.200 0.133 0.000 0.861 1096 S HN 0.345 nan 8.310 nan 0.000 0.456 1097 F N 2.246 122.221 119.950 0.042 0.000 2.106 1097 F HA -0.247 4.284 4.527 0.007 0.000 0.299 1097 F C 1.809 177.622 175.800 0.023 0.000 1.082 1097 F CA 1.521 59.540 58.000 0.030 0.000 1.244 1097 F CB -0.285 38.737 39.000 0.036 0.000 0.997 1097 F HN 0.136 nan 8.300 nan 0.000 0.486 1098 L N -0.501 120.877 121.223 0.259 0.000 2.291 1098 L HA -0.165 4.178 4.340 0.006 0.000 0.214 1098 L C 1.561 178.437 176.870 0.009 0.000 1.120 1098 L CA 1.118 56.043 54.840 0.142 0.000 0.799 1098 L CB -0.719 41.435 42.059 0.159 0.000 0.925 1098 L HN 0.152 nan 8.230 nan 0.000 0.446 1099 D N 0.135 120.536 120.400 0.002 0.000 2.349 1099 D HA 0.108 4.752 4.640 0.006 0.000 0.224 1099 D C 0.796 177.054 176.300 -0.070 0.000 1.029 1099 D CA 0.445 54.427 54.000 -0.029 0.000 0.879 1099 D CB 0.649 41.445 40.800 -0.008 0.000 0.906 1099 D HN 0.276 nan 8.370 nan 0.000 0.528 1100 I N 1.416 121.912 120.570 -0.122 0.000 2.472 1100 I HA -0.041 4.133 4.170 0.006 0.000 0.290 1100 I C 0.829 176.849 176.117 -0.162 0.000 1.016 1100 I CA -0.374 60.828 61.300 -0.163 0.000 1.348 1100 I CB 1.272 39.122 38.000 -0.251 0.000 1.417 1100 I HN -0.129 nan 8.210 nan 0.000 0.521 1101 S N 5.749 121.376 115.700 -0.122 0.000 2.562 1101 S HA 0.132 4.605 4.470 0.006 0.000 0.281 1101 S C 1.143 175.678 174.600 -0.108 0.000 1.333 1101 S CA -0.525 57.618 58.200 -0.094 0.000 1.052 1101 S CB 1.152 64.311 63.200 -0.068 0.000 0.884 1101 S HN 0.748 nan 8.310 nan 0.000 0.506 1102 R N 2.580 123.034 120.500 -0.076 0.000 2.113 1102 R HA -0.110 4.234 4.340 0.006 0.000 0.244 1102 R C -0.823 175.440 176.300 -0.062 0.000 1.142 1102 R CA 2.106 58.167 56.100 -0.065 0.000 0.953 1102 R CB -1.594 28.695 30.300 -0.019 0.000 0.860 1102 R HN 0.622 nan 8.270 nan 0.000 0.438 1103 P HA -0.225 nan 4.420 nan 0.000 0.213 1103 P C 0.288 177.555 177.300 -0.055 0.000 1.176 1103 P CA 1.661 64.736 63.100 -0.041 0.000 0.919 1103 P CB -0.188 31.490 31.700 -0.036 0.000 0.791 1104 K N -1.163 119.193 120.400 -0.073 0.000 2.442 1104 K HA -0.015 4.309 4.320 0.006 0.000 0.198 1104 K C 2.122 178.652 176.600 -0.117 0.000 1.042 1104 K CA 0.738 56.976 56.287 -0.081 0.000 0.958 1104 K CB -0.733 31.716 32.500 -0.085 0.000 0.766 1104 K HN 0.323 nan 8.250 nan 0.000 0.474 1105 M N 0.103 119.611 119.600 -0.153 0.000 2.429 1105 M HA -0.083 4.401 4.480 0.006 0.000 0.265 1105 M C 1.826 178.076 176.300 -0.084 0.000 1.120 1105 M CA 0.908 56.070 55.300 -0.230 0.000 1.173 1105 M CB 0.228 32.649 32.600 -0.298 0.000 1.343 1105 M HN -0.056 nan 8.290 nan 0.000 0.464 1106 Q N 0.930 120.704 119.800 -0.043 0.000 2.045 1106 Q HA -0.236 4.108 4.340 0.006 0.000 0.206 1106 Q C 1.653 177.659 176.000 0.009 0.000 0.991 1106 Q CA 1.991 57.793 55.803 -0.001 0.000 0.851 1106 Q CB -0.667 28.070 28.738 -0.003 0.000 0.911 1106 Q HN 0.628 nan 8.270 nan 0.000 0.418 1107 E N 0.028 120.225 120.200 -0.006 0.000 2.113 1107 E HA -0.207 4.146 4.350 0.006 0.000 0.210 1107 E C 1.857 178.470 176.600 0.022 0.000 1.040 1107 E CA 1.813 58.215 56.400 0.002 0.000 0.847 1107 E CB -0.331 29.363 29.700 -0.010 0.000 0.755 1107 E HN 0.162 nan 8.360 nan 0.000 0.459 1108 V N 1.105 121.039 119.914 0.034 0.000 3.284 1108 V HA -0.108 4.016 4.120 0.006 0.000 0.273 1108 V C 0.709 176.855 176.094 0.088 0.000 1.178 1108 V CA 0.765 63.114 62.300 0.082 0.000 1.177 1108 V CB -0.679 31.241 31.823 0.162 0.000 0.793 1108 V HN -0.001 nan 8.190 nan 0.000 0.536 1109 V N -0.816 119.137 119.914 0.064 0.000 2.525 1109 V HA 0.758 4.881 4.120 0.006 0.000 0.299 1109 V C 0.453 176.563 176.094 0.027 0.000 1.034 1109 V CA 0.245 62.573 62.300 0.047 0.000 0.863 1109 V CB 1.346 33.200 31.823 0.053 0.000 0.999 1109 V HN 0.089 nan 8.190 nan 0.000 0.423 1110 A N 3.933 126.765 122.820 0.019 0.000 2.287 1110 A HA 0.495 4.818 4.320 0.006 0.000 0.214 1110 A C 0.567 178.156 177.584 0.007 0.000 1.228 1110 A CA 0.381 52.425 52.037 0.012 0.000 0.939 1110 A CB 0.135 19.142 19.000 0.011 0.000 0.992 1110 A HN 0.889 nan 8.150 nan 0.000 0.502 1123 E N 0.812 120.986 120.200 -0.043 0.000 2.390 1123 E HA 0.846 5.199 4.350 0.006 0.000 0.242 1123 E C -1.622 174.952 176.600 -0.043 0.000 0.907 1123 E CA -1.080 55.299 56.400 -0.035 0.000 0.884 1123 E CB 2.403 32.086 29.700 -0.028 0.000 1.788 1123 E HN 0.828 nan 8.360 nan 0.000 0.427 1124 A N 0.585 123.386 122.820 -0.032 0.000 2.511 1124 A HA 0.491 4.815 4.320 0.006 0.000 0.292 1124 A C -0.717 176.859 177.584 -0.014 0.000 1.045 1124 A CA -0.437 51.583 52.037 -0.030 0.000 0.870 1124 A CB 1.312 20.298 19.000 -0.024 0.000 1.361 1124 A HN 0.420 nan 8.150 nan 0.000 0.396 1125 T N 0.502 115.050 114.554 -0.010 0.000 2.292 1125 T HA 0.805 5.159 4.350 0.006 0.000 0.205 1125 T C 1.378 176.094 174.700 0.027 0.000 0.863 1125 T CA 0.922 63.026 62.100 0.007 0.000 1.243 1125 T CB 0.756 69.628 68.868 0.007 0.000 3.036 1125 T HN 1.722 nan 8.240 nan 0.000 0.446 1126 A N 0.160 123.007 122.820 0.044 0.000 2.004 1126 A HA 0.268 4.592 4.320 0.006 0.000 0.175 1126 A C 0.014 177.659 177.584 0.101 0.000 1.902 1126 A CA 0.583 52.659 52.037 0.066 0.000 1.457 1126 A CB 0.155 19.182 19.000 0.046 0.000 1.593 1126 A HN 0.626 nan 8.150 nan 0.000 0.363 1127 D N -0.913 119.540 120.400 0.087 0.000 2.516 1127 D HA 0.155 4.798 4.640 0.006 0.000 0.241 1127 D C 0.455 176.802 176.300 0.079 0.000 1.246 1127 D CA 0.422 54.486 54.000 0.107 0.000 0.808 1127 D CB -0.349 40.503 40.800 0.087 0.000 1.147 1127 D HN 0.123 nan 8.370 nan 0.000 0.527 1128 D N 0.388 120.816 120.400 0.047 0.000 2.144 1128 D HA -0.070 4.574 4.640 0.006 0.000 0.199 1128 D C 1.748 178.041 176.300 -0.011 0.000 0.984 1128 D CA 0.862 54.869 54.000 0.012 0.000 0.834 1128 D CB 0.239 41.032 40.800 -0.012 0.000 0.955 1128 D HN 0.040 nan 8.370 nan 0.000 0.465 1129 L N 0.286 121.495 121.223 -0.024 0.000 2.131 1129 L HA 0.033 4.376 4.340 0.006 0.000 0.206 1129 L C 2.408 179.189 176.870 -0.150 0.000 1.087 1129 L CA 0.684 55.433 54.840 -0.151 0.000 0.767 1129 L CB -0.935 40.957 42.059 -0.279 0.000 0.917 1129 L HN 0.198 nan 8.230 nan 0.000 0.441 1130 I N 0.323 120.941 120.570 0.079 0.000 2.236 1130 I HA -0.402 3.772 4.170 0.006 0.000 0.249 1130 I C 2.800 178.964 176.117 0.078 0.000 1.102 1130 I CA 1.533 62.960 61.300 0.211 0.000 1.365 1130 I CB -0.058 38.111 38.000 0.282 0.000 1.051 1130 I HN 0.285 nan 8.210 nan 0.000 0.420 1131 K N 0.525 120.950 120.400 0.042 0.000 1.978 1131 K HA -0.196 4.128 4.320 0.006 0.000 0.214 1131 K C 1.996 178.609 176.600 0.022 0.000 1.049 1131 K CA 2.502 58.805 56.287 0.027 0.000 0.939 1131 K CB -0.530 31.984 32.500 0.024 0.000 0.721 1131 K HN 0.283 nan 8.250 nan 0.000 0.441 1132 V N 1.465 121.382 119.914 0.005 0.000 2.370 1132 V HA -0.261 3.862 4.120 0.006 0.000 0.252 1132 V C 2.510 178.629 176.094 0.042 0.000 1.068 1132 V CA 1.855 64.183 62.300 0.047 0.000 1.061 1132 V CB -0.359 31.448 31.823 -0.026 0.000 0.656 1132 V HN 0.199 nan 8.190 nan 0.000 0.455 1133 V N -0.436 119.464 119.914 -0.024 0.000 2.719 1133 V HA -0.162 3.962 4.120 0.006 0.000 0.252 1133 V C 2.283 178.410 176.094 0.056 0.000 1.065 1133 V CA 1.623 63.924 62.300 0.002 0.000 1.086 1133 V CB -0.501 31.284 31.823 -0.063 0.000 0.700 1133 V HN 0.646 nan 8.190 nan 0.000 0.467 1134 E N 0.199 120.428 120.200 0.048 0.000 2.046 1134 E HA -0.200 4.154 4.350 0.006 0.000 0.190 1134 E C 1.947 178.560 176.600 0.021 0.000 0.982 1134 E CA 0.865 57.289 56.400 0.040 0.000 0.800 1134 E CB -0.167 29.551 29.700 0.029 0.000 0.756 1134 E HN 0.533 nan 8.360 nan 0.000 0.449 1135 E N 0.355 120.567 120.200 0.021 0.000 2.495 1135 E HA -0.129 4.224 4.350 0.006 0.000 0.204 1135 E C 1.058 177.649 176.600 -0.016 0.000 1.163 1135 E CA 0.141 56.543 56.400 0.003 0.000 0.922 1135 E CB 0.103 29.817 29.700 0.023 0.000 0.918 1135 E HN 0.243 nan 8.360 nan 0.000 0.537 1136 L N -1.723 119.503 121.223 0.006 0.000 2.675 1136 L HA -0.034 4.310 4.340 0.006 0.000 0.178 1136 L C 2.465 179.361 176.870 0.043 0.000 1.135 1136 L CA 0.810 55.646 54.840 -0.007 0.000 0.855 1136 L CB -0.437 41.639 42.059 0.028 0.000 1.235 1136 L HN 0.151 nan 8.230 nan 0.000 0.499 1137 T N -0.919 113.684 114.554 0.083 0.000 2.635 1137 T HA -0.375 3.979 4.350 0.006 0.000 0.265 1137 T C 1.692 176.344 174.700 -0.079 0.000 1.058 1137 T CA 1.733 63.870 62.100 0.062 0.000 1.162 1137 T CB -0.767 68.115 68.868 0.023 0.000 0.859 1137 T HN 0.215 nan 8.240 nan 0.000 0.449 1138 R N 0.849 121.307 120.500 -0.070 0.000 2.395 1138 R HA 0.221 4.564 4.340 0.006 0.000 0.203 1138 R C 1.846 178.102 176.300 -0.074 0.000 1.076 1138 R CA 0.478 56.519 56.100 -0.099 0.000 1.059 1138 R CB -0.619 29.639 30.300 -0.072 0.000 0.860 1138 R HN 0.549 nan 8.270 nan 0.000 0.476 1139 I N 0.543 121.101 120.570 -0.019 0.000 3.428 1139 I HA -0.073 4.101 4.170 0.006 0.000 0.286 1139 I C 0.812 177.006 176.117 0.128 0.000 1.287 1139 I CA 0.384 61.704 61.300 0.032 0.000 1.396 1139 I CB -0.097 37.913 38.000 0.017 0.000 1.062 1139 I HN 0.268 nan 8.210 nan 0.000 0.471 1140 H N 0.000 119.071 119.070 0.002 0.000 2.539 1140 H HA 0.000 4.560 4.556 0.006 0.000 0.296 1140 H CA 0.000 56.048 56.048 0.001 0.000 1.023 1140 H CB 0.000 29.766 29.762 0.007 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496