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 3k70_1_C DATA FIRST_RESID 1 DATA SEQUENCE MLRVYHSNRL DVLEALMEFI VERERLDDPF EPEMILVQST GMAQWLQMTL DATA SEQUENCE SQKFGIAANI DFPLPASFIW DMFVRVLPEI PKESAFNKQS MSWKLMTLLP DATA SEQUENCE QLLEREDFTL LRHYLTDDSD KRKLFQLSSK AADLFDQYLV YRPDWLAQWE DATA SEQUENCE TGHLVEGLGE AQAWQAPLWK ALVEYTHQLG QPRWHRANLY QRFIETLESA DATA SEQUENCE TTCPPGLPSR VFICGISALP PVYLQALQAL GKHIEIHLLF TNPCRYYWGD DATA SEQUENCE IKDPAYLAKL LTRQRRHSFE DRELPLFRDS ENAGQLFNSD GEQDVGNPLL DATA SEQUENCE ASWGKLGRDY IYLLSDLESS QELDAFVDVT PDNLLHNIQS DILELENRAV DATA SEQUENCE AGVNIEEFSR SDNKRPLDPL DSSITFHVCH SPQREVEVLH DRLLAMLEED DATA SEQUENCE PTLTPRDIIV MVADIDSYSP FIQAVFGSAP ADRYLPYAIS DRRARQSHPV DATA SEQUENCE LEAFISLLSL PDSRFVSEDV LALLDVPVLA ARFDITEEGL RYLRQWVNES DATA SEQUENCE GIRWGIDDDN VRELELPATG QHTWRFGLTR MLLGYAMESA QGEWQSVLPY DATA SEQUENCE DESSGLIAEL VGHLASLLMQ LNIWRRGLAQ ERPLEEWLPV CRDMLNAFFL DATA SEQUENCE PDAETEAAMT LIEQQWQAII AEGLGAQYGD AVPLSLLRDE LAQRLDQERI DATA SEQUENCE SQRFLAGPVN ICTLMPMRSI PFKVVCLLGM NDGVYPRQLA PLGFDLMSQK DATA SEQUENCE PKRGDRSRRD DDRYLFLEAL ISAQQKLYIS YIGRSIQDNS ERFPSVLVQE DATA SEQUENCE LIDYIGQSHY LPGDEALNCD ESEARVKAHL TCLHTRMPFD PQNYQPGERQ DATA SEQUENCE SYAREWLPAA SQAGKAHSEF VQPLPFTLPE TVPLETLQRF WAHPVRAFFQ DATA SEQUENCE MRLQVNFRTE DSEIPDTEPF ILEGLSRYQI NQQLLNALVE QDDAERLFRR DATA SEQUENCE FRAAGDLPYG AFGEIFWETQ CQEMQQLADR VIACRQPGQS MEIDLACNGV DATA SEQUENCE QITGWLPQVQ PDGLLRWRPS LLSVAQGMQL WLEHLVYCAS GGNGESRLFL DATA SEQUENCE RKDGEWRFPP LAAEQALHYL SQLIEGYREG MSAPLLVLPE SGGAWLKTCY DATA SEQUENCE DAQNDAMLDD DSTLQKARTK FLQAYEGNMM VRGEGDDIWY QRLWRQLTPE DATA SEQUENCE TMEAIVEQSQ RFLLPLFRFN Q 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 0.000 176.243 176.300 -0.094 0.000 1.140 1 M CA 0.000 55.248 55.300 -0.086 0.000 0.988 1 M CB 0.000 32.559 32.600 -0.068 0.000 1.302 2 L N 5.313 126.498 121.223 -0.063 0.000 2.328 2 L HA 0.483 4.824 4.340 0.001 0.000 0.280 2 L C -0.622 176.228 176.870 -0.033 0.000 1.111 2 L CA -0.354 54.462 54.840 -0.040 0.000 0.909 2 L CB -0.162 41.892 42.059 -0.009 0.000 1.277 2 L HN 0.712 nan 8.230 nan 0.000 0.433 3 R N 3.612 124.094 120.500 -0.029 0.000 2.340 3 R HA 0.353 4.694 4.340 0.001 0.000 0.300 3 R C -0.752 175.522 176.300 -0.043 0.000 1.069 3 R CA -0.475 55.578 56.100 -0.080 0.000 0.984 3 R CB 1.619 31.920 30.300 0.002 0.000 1.003 3 R HN 0.303 nan 8.270 nan 0.000 0.459 4 V N 5.325 125.161 119.914 -0.129 0.000 2.378 4 V HA 0.266 4.386 4.120 0.001 0.000 0.288 4 V C -0.997 175.150 176.094 0.089 0.000 1.016 4 V CA -0.796 61.560 62.300 0.093 0.000 0.840 4 V CB 0.830 32.758 31.823 0.176 0.000 0.994 4 V HN 0.527 nan 8.190 nan 0.000 0.431 5 Y N 3.421 123.907 120.300 0.309 0.000 2.342 5 Y HA 0.491 5.041 4.550 0.001 0.000 0.338 5 Y C 0.687 176.738 175.900 0.253 0.000 0.965 5 Y CA -0.756 57.514 58.100 0.284 0.000 1.159 5 Y CB 0.637 39.215 38.460 0.197 0.000 1.157 5 Y HN 0.574 nan 8.280 nan 0.000 0.486 6 H N 1.944 121.092 119.070 0.131 0.000 2.594 6 H HA 0.442 4.999 4.556 0.001 0.000 0.304 6 H C -0.412 174.523 175.328 -0.654 0.000 1.068 6 H CA -0.472 55.505 56.048 -0.119 0.000 1.308 6 H CB 1.813 31.654 29.762 0.131 0.000 1.409 6 H HN 0.591 nan 8.280 nan 0.000 0.460 7 S N 1.635 116.994 115.700 -0.569 0.000 2.634 7 S HA 0.111 4.581 4.470 0.001 0.000 0.296 7 S C 0.872 175.139 174.600 -0.555 0.000 1.104 7 S CA -0.779 57.042 58.200 -0.631 0.000 0.920 7 S CB 1.865 64.911 63.200 -0.258 0.000 1.111 7 S HN 0.697 nan 8.310 nan 0.000 0.493 8 N N 0.853 119.352 118.700 -0.335 0.000 2.251 8 N HA 0.078 4.819 4.740 0.001 0.000 0.181 8 N C -0.124 175.329 175.510 -0.096 0.000 1.019 8 N CA 0.716 53.714 53.050 -0.088 0.000 0.862 8 N CB 0.120 38.624 38.487 0.028 0.000 0.992 8 N HN 0.660 nan 8.380 nan 0.000 0.429 9 R N 0.506 120.944 120.500 -0.104 0.000 2.621 9 R HA 0.224 4.564 4.340 0.001 0.000 0.292 9 R C 0.637 176.884 176.300 -0.088 0.000 0.969 9 R CA -0.648 55.397 56.100 -0.092 0.000 0.887 9 R CB 0.922 31.180 30.300 -0.069 0.000 1.180 9 R HN -0.123 nan 8.270 nan 0.000 0.450 10 L N 1.998 123.152 121.223 -0.114 0.000 2.197 10 L HA -0.241 4.100 4.340 0.001 0.000 0.215 10 L C 0.837 177.727 176.870 0.034 0.000 1.095 10 L CA 2.160 56.939 54.840 -0.102 0.000 0.764 10 L CB -0.462 41.414 42.059 -0.306 0.000 0.897 10 L HN 0.724 nan 8.230 nan 0.000 0.436 11 D N -1.467 118.962 120.400 0.048 0.000 2.078 11 D HA -0.202 4.438 4.640 0.001 0.000 0.193 11 D C 2.241 178.578 176.300 0.062 0.000 0.990 11 D CA 1.726 55.804 54.000 0.131 0.000 0.827 11 D CB -0.359 40.483 40.800 0.071 0.000 0.975 11 D HN 0.187 nan 8.370 nan 0.000 0.451 12 V N 0.696 120.613 119.914 0.005 0.000 2.332 12 V HA -0.221 3.899 4.120 0.001 0.000 0.248 12 V C 2.379 178.459 176.094 -0.023 0.000 1.055 12 V CA 1.318 63.606 62.300 -0.019 0.000 1.038 12 V CB -0.517 31.281 31.823 -0.041 0.000 0.651 12 V HN 0.261 nan 8.190 nan 0.000 0.450 13 L N -0.268 120.944 121.223 -0.018 0.000 2.141 13 L HA -0.119 4.221 4.340 0.001 0.000 0.209 13 L C 2.714 179.578 176.870 -0.010 0.000 1.094 13 L CA 1.359 56.185 54.840 -0.024 0.000 0.763 13 L CB -0.505 41.555 42.059 0.002 0.000 0.908 13 L HN 0.368 nan 8.230 nan 0.000 0.437 14 E N 0.718 120.954 120.200 0.060 0.000 2.107 14 E HA -0.181 4.169 4.350 0.001 0.000 0.191 14 E C 2.102 178.688 176.600 -0.023 0.000 0.982 14 E CA 1.242 57.679 56.400 0.062 0.000 0.809 14 E CB 0.162 29.972 29.700 0.183 0.000 0.756 14 E HN 0.402 nan 8.360 nan 0.000 0.459 15 A N 1.688 124.496 122.820 -0.019 0.000 1.851 15 A HA -0.168 4.152 4.320 0.001 0.000 0.216 15 A C 2.472 180.038 177.584 -0.029 0.000 1.195 15 A CA 1.617 53.631 52.037 -0.038 0.000 0.622 15 A CB -0.961 18.018 19.000 -0.035 0.000 0.831 15 A HN 0.320 nan 8.150 nan 0.000 0.444 16 L N -1.164 120.013 121.223 -0.076 0.000 2.127 16 L HA -0.227 4.114 4.340 0.001 0.000 0.211 16 L C 2.812 179.607 176.870 -0.124 0.000 1.089 16 L CA 1.794 56.536 54.840 -0.163 0.000 0.757 16 L CB -0.574 41.281 42.059 -0.340 0.000 0.899 16 L HN 0.576 nan 8.230 nan 0.000 0.434 17 M N -0.114 119.421 119.600 -0.108 0.000 2.200 17 M HA -0.198 4.283 4.480 0.001 0.000 0.265 17 M C 2.115 178.375 176.300 -0.066 0.000 1.066 17 M CA 1.617 56.829 55.300 -0.147 0.000 1.127 17 M CB 0.049 32.404 32.600 -0.408 0.000 1.379 17 M HN 0.199 nan 8.290 nan 0.000 0.420 18 E N -0.117 120.088 120.200 0.009 0.000 2.077 18 E HA -0.227 4.123 4.350 0.001 0.000 0.193 18 E C 1.811 178.574 176.600 0.270 0.000 0.989 18 E CA 1.693 58.181 56.400 0.146 0.000 0.800 18 E CB -0.231 29.465 29.700 -0.006 0.000 0.746 18 E HN 0.640 nan 8.360 nan 0.000 0.452 19 F N 0.553 120.501 119.950 -0.004 0.000 2.163 19 F HA -0.176 4.351 4.527 0.001 0.000 0.297 19 F C 1.857 177.696 175.800 0.064 0.000 1.094 19 F CA 0.320 58.327 58.000 0.011 0.000 1.290 19 F CB 0.159 39.126 39.000 -0.055 0.000 1.017 19 F HN 0.040 nan 8.300 nan 0.000 0.483 20 I N 0.255 120.883 120.570 0.098 0.000 2.335 20 I HA -0.259 3.912 4.170 0.001 0.000 0.251 20 I C 2.207 178.411 176.117 0.145 0.000 1.129 20 I CA 1.032 62.328 61.300 -0.007 0.000 1.402 20 I CB -1.275 36.697 38.000 -0.046 0.000 1.069 20 I HN 0.102 nan 8.210 nan 0.000 0.424 21 V N 0.409 120.469 119.914 0.242 0.000 2.535 21 V HA -0.165 3.955 4.120 0.001 0.000 0.246 21 V C 2.484 178.721 176.094 0.238 0.000 1.045 21 V CA 1.364 63.783 62.300 0.199 0.000 1.058 21 V CB -0.491 31.372 31.823 0.066 0.000 0.689 21 V HN 0.379 nan 8.190 nan 0.000 0.461 22 E N 0.357 120.809 120.200 0.421 0.000 2.106 22 E HA -0.200 4.150 4.350 0.001 0.000 0.192 22 E C 2.235 179.004 176.600 0.282 0.000 0.984 22 E CA 0.862 57.508 56.400 0.409 0.000 0.806 22 E CB 0.070 30.004 29.700 0.391 0.000 0.750 22 E HN 0.473 nan 8.360 nan 0.000 0.458 23 R N 1.230 121.894 120.500 0.273 0.000 2.247 23 R HA -0.128 4.213 4.340 0.001 0.000 0.179 23 R C 0.052 176.420 176.300 0.113 0.000 0.910 23 R CA 1.445 57.645 56.100 0.167 0.000 1.095 23 R CB -0.519 29.783 30.300 0.003 0.000 0.663 23 R HN 0.128 nan 8.270 nan 0.000 0.538 24 E N 2.104 122.348 120.200 0.074 0.000 2.406 24 E HA -0.069 4.282 4.350 0.001 0.000 0.247 24 E C 0.489 177.132 176.600 0.072 0.000 1.160 24 E CA -0.217 56.222 56.400 0.066 0.000 0.950 24 E CB 0.370 30.104 29.700 0.057 0.000 0.993 24 E HN 0.256 nan 8.360 nan 0.000 0.472 25 R N 1.897 122.436 120.500 0.066 0.000 2.294 25 R HA -0.166 4.175 4.340 0.001 0.000 0.250 25 R C 0.648 176.972 176.300 0.039 0.000 1.181 25 R CA 0.825 56.958 56.100 0.055 0.000 1.016 25 R CB -1.127 29.201 30.300 0.046 0.000 0.869 25 R HN 0.813 nan 8.270 nan 0.000 0.476 26 L N -0.745 120.503 121.223 0.043 0.000 0.588 26 L HA -0.250 4.091 4.340 0.001 0.000 0.356 26 L C 0.199 177.086 176.870 0.027 0.000 0.998 26 L CA 0.818 55.681 54.840 0.039 0.000 1.223 26 L CB -0.245 41.837 42.059 0.038 0.000 0.010 26 L HN 0.153 nan 8.230 nan 0.000 0.092 27 D N 0.806 121.220 120.400 0.024 0.000 2.025 27 D HA 0.230 4.871 4.640 0.001 0.000 0.270 27 D C 0.539 176.847 176.300 0.012 0.000 1.135 27 D CA 1.118 55.126 54.000 0.014 0.000 0.978 27 D CB 0.335 41.141 40.800 0.010 0.000 1.178 27 D HN 0.912 nan 8.370 nan 0.000 0.487 28 D N -2.856 117.546 120.400 0.003 0.000 2.788 28 D HA 0.007 4.648 4.640 0.001 0.000 0.447 28 D C -2.297 173.992 176.300 -0.018 0.000 1.215 28 D CA -0.340 53.667 54.000 0.011 0.000 1.028 28 D CB -0.914 39.890 40.800 0.008 0.000 1.694 28 D HN 0.157 nan 8.370 nan 0.000 0.352 29 P HA 0.161 nan 4.420 nan 0.000 0.238 29 P C -0.150 177.088 177.300 -0.103 0.000 1.714 29 P CA 0.011 62.980 63.100 -0.217 0.000 0.908 29 P CB -1.277 30.332 31.700 -0.151 0.000 1.893 30 F N -2.249 117.704 119.950 0.006 0.000 2.988 30 F HA -0.197 4.331 4.527 0.001 0.000 0.287 30 F C 0.667 176.472 175.800 0.007 0.000 0.781 30 F CA -0.180 57.824 58.000 0.006 0.000 1.221 30 F CB -1.577 37.429 39.000 0.010 0.000 1.392 30 F HN 0.232 nan 8.300 nan 0.000 0.425 31 E N 2.478 122.777 120.200 0.165 0.000 2.217 31 E HA 0.165 4.516 4.350 0.001 0.000 0.279 31 E C -2.156 174.493 176.600 0.081 0.000 1.068 31 E CA -1.695 54.766 56.400 0.102 0.000 0.882 31 E CB 0.765 30.504 29.700 0.064 0.000 1.039 31 E HN -0.078 nan 8.360 nan 0.000 0.418 32 P HA 0.019 nan 4.420 nan 0.000 0.271 32 P C -0.832 176.478 177.300 0.017 0.000 1.233 32 P CA -0.107 63.011 63.100 0.031 0.000 0.764 32 P CB 0.614 32.330 31.700 0.027 0.000 0.825 33 E N 3.643 123.837 120.200 -0.010 0.000 2.384 33 E HA 0.116 4.467 4.350 0.001 0.000 0.266 33 E C -0.572 176.007 176.600 -0.036 0.000 1.012 33 E CA 0.486 56.888 56.400 0.004 0.000 0.901 33 E CB 0.197 29.876 29.700 -0.034 0.000 0.967 33 E HN 0.327 nan 8.360 nan 0.000 0.435 34 M N 4.940 124.560 119.600 0.034 0.000 2.364 34 M HA 0.430 4.911 4.480 0.001 0.000 0.334 34 M C -0.712 175.600 176.300 0.021 0.000 1.107 34 M CA -0.566 54.724 55.300 -0.018 0.000 0.988 34 M CB 1.258 33.873 32.600 0.025 0.000 1.673 34 M HN 0.442 nan 8.290 nan 0.000 0.441 35 I N 4.608 125.098 120.570 -0.132 0.000 2.540 35 I HA 0.300 4.471 4.170 0.001 0.000 0.280 35 I C -0.649 175.459 176.117 -0.014 0.000 1.083 35 I CA -0.546 60.726 61.300 -0.046 0.000 1.080 35 I CB 1.517 39.432 38.000 -0.142 0.000 1.205 35 I HN 0.566 nan 8.210 nan 0.000 0.459 36 L N 6.085 127.294 121.223 -0.023 0.000 2.462 36 L HA 0.380 4.721 4.340 0.001 0.000 0.272 36 L C -0.128 176.806 176.870 0.108 0.000 1.166 36 L CA 0.173 55.008 54.840 -0.007 0.000 0.880 36 L CB 1.020 43.008 42.059 -0.119 0.000 1.142 36 L HN 0.363 nan 8.230 nan 0.000 0.473 37 V N 3.760 123.768 119.914 0.157 0.000 3.147 37 V HA 0.242 4.363 4.120 0.001 0.000 0.306 37 V C -0.362 175.805 176.094 0.122 0.000 1.209 37 V CA -0.328 62.077 62.300 0.174 0.000 1.023 37 V CB 2.632 34.622 31.823 0.278 0.000 1.059 37 V HN 0.872 nan 8.190 nan 0.000 0.435 38 Q N 1.944 121.798 119.800 0.089 0.000 2.155 38 Q HA 0.486 4.826 4.340 0.001 0.000 0.273 38 Q C -0.670 175.351 176.000 0.035 0.000 0.857 38 Q CA 0.176 56.015 55.803 0.061 0.000 1.116 38 Q CB 1.192 29.960 28.738 0.051 0.000 1.209 38 Q HN 0.813 nan 8.270 nan 0.000 0.460 39 S N -2.582 113.133 115.700 0.024 0.000 2.596 39 S HA 0.015 4.486 4.470 0.001 0.000 0.305 39 S C 0.698 175.271 174.600 -0.045 0.000 1.086 39 S CA -0.071 58.119 58.200 -0.017 0.000 0.909 39 S CB 0.489 63.673 63.200 -0.027 0.000 1.106 39 S HN 0.279 nan 8.310 nan 0.000 0.450 40 T N 1.646 116.159 114.554 -0.069 0.000 2.721 40 T HA -0.103 4.248 4.350 0.001 0.000 0.268 40 T C 2.143 176.791 174.700 -0.087 0.000 1.038 40 T CA 2.427 64.469 62.100 -0.097 0.000 1.145 40 T CB -1.495 67.325 68.868 -0.079 0.000 0.858 40 T HN 1.435 nan 8.240 nan 0.000 0.459 41 G N 1.802 110.541 108.800 -0.102 0.000 2.529 41 G HA2 -0.256 3.705 3.960 0.001 0.000 0.219 41 G HA3 -0.256 3.705 3.960 0.001 0.000 0.219 41 G C 1.657 176.650 174.900 0.155 0.000 1.177 41 G CA 1.412 46.499 45.100 -0.021 0.000 0.773 41 G HN 0.381 nan 8.290 nan 0.000 0.573 42 M N 1.085 120.736 119.600 0.086 0.000 2.073 42 M HA -0.099 4.382 4.480 0.001 0.000 0.258 42 M C 3.120 179.475 176.300 0.091 0.000 1.070 42 M CA 1.659 57.050 55.300 0.152 0.000 1.103 42 M CB -1.423 31.247 32.600 0.117 0.000 1.321 42 M HN 0.350 nan 8.290 nan 0.000 0.405 43 A N -0.339 122.367 122.820 -0.190 0.000 1.958 43 A HA -0.259 4.062 4.320 0.001 0.000 0.221 43 A C 2.058 179.368 177.584 -0.457 0.000 1.178 43 A CA 2.076 53.622 52.037 -0.819 0.000 0.642 43 A CB -0.792 17.494 19.000 -1.190 0.000 0.816 43 A HN 0.688 nan 8.150 nan 0.000 0.453 44 Q N -2.645 117.072 119.800 -0.139 0.000 2.096 44 Q HA -0.166 4.175 4.340 0.001 0.000 0.197 44 Q C 1.943 177.987 176.000 0.074 0.000 0.964 44 Q CA 1.366 57.168 55.803 -0.002 0.000 0.838 44 Q CB -0.239 28.577 28.738 0.131 0.000 0.906 44 Q HN 0.880 nan 8.270 nan 0.000 0.444 45 W N 1.359 122.663 121.300 0.007 0.000 2.358 45 W HA -0.152 4.508 4.660 0.001 0.000 0.303 45 W C 1.484 177.994 176.519 -0.015 0.000 1.208 45 W CA 1.274 58.614 57.345 -0.007 0.000 1.274 45 W CB -0.182 29.286 29.460 0.012 0.000 1.138 45 W HN 0.026 nan 8.180 nan 0.000 0.515 46 L N 0.015 121.283 121.223 0.075 0.000 2.005 46 L HA -0.269 4.071 4.340 0.001 0.000 0.207 46 L C 2.746 179.559 176.870 -0.095 0.000 1.072 46 L CA 1.711 56.525 54.840 -0.045 0.000 0.744 46 L CB -1.293 40.903 42.059 0.227 0.000 0.895 46 L HN 0.022 nan 8.230 nan 0.000 0.433 47 Q N -0.454 119.355 119.800 0.016 0.000 2.096 47 Q HA -0.288 4.052 4.340 0.001 0.000 0.208 47 Q C 2.260 178.219 176.000 -0.068 0.000 0.993 47 Q CA 2.111 57.931 55.803 0.027 0.000 0.862 47 Q CB -0.215 28.542 28.738 0.031 0.000 0.915 47 Q HN 0.542 nan 8.270 nan 0.000 0.416 48 M N -0.742 118.774 119.600 -0.139 0.000 2.123 48 M HA -0.112 4.368 4.480 0.001 0.000 0.263 48 M C 2.275 178.424 176.300 -0.253 0.000 1.069 48 M CA 1.313 56.511 55.300 -0.170 0.000 1.133 48 M CB -0.331 32.165 32.600 -0.173 0.000 1.356 48 M HN 0.131 nan 8.290 nan 0.000 0.415 49 T N 1.626 115.909 114.554 -0.452 0.000 2.684 49 T HA -0.127 4.224 4.350 0.001 0.000 0.267 49 T C 1.856 176.387 174.700 -0.281 0.000 1.036 49 T CA 1.271 63.054 62.100 -0.529 0.000 1.148 49 T CB -0.361 67.912 68.868 -0.992 0.000 0.863 49 T HN 0.306 nan 8.240 nan 0.000 0.436 50 L N 1.363 122.473 121.223 -0.188 0.000 2.109 50 L HA -0.070 4.271 4.340 0.001 0.000 0.207 50 L C 2.919 179.831 176.870 0.069 0.000 1.086 50 L CA 1.379 56.216 54.840 -0.006 0.000 0.760 50 L CB -0.726 41.333 42.059 -0.000 0.000 0.910 50 L HN 0.401 nan 8.230 nan 0.000 0.437 51 S N -0.858 114.839 115.700 -0.005 0.000 2.419 51 S HA -0.221 4.250 4.470 0.001 0.000 0.233 51 S C 1.732 176.340 174.600 0.014 0.000 1.016 51 S CA 0.934 59.144 58.200 0.016 0.000 0.974 51 S CB -0.151 63.040 63.200 -0.016 0.000 0.786 51 S HN 0.485 nan 8.310 nan 0.000 0.492 52 Q N 1.143 120.920 119.800 -0.038 0.000 1.911 52 Q HA 0.124 4.465 4.340 0.001 0.000 0.202 52 Q C 1.093 177.050 176.000 -0.071 0.000 0.976 52 Q CA 1.062 56.827 55.803 -0.064 0.000 0.845 52 Q CB -0.193 28.479 28.738 -0.111 0.000 0.903 52 Q HN 0.347 nan 8.270 nan 0.000 0.437 53 K N -0.020 120.302 120.400 -0.130 0.000 2.942 53 K HA -0.073 4.247 4.320 0.001 0.000 0.249 53 K C -0.363 175.963 176.600 -0.455 0.000 0.911 53 K CA 0.701 56.825 56.287 -0.272 0.000 1.100 53 K CB -0.124 32.180 32.500 -0.326 0.000 0.952 53 K HN 0.164 nan 8.250 nan 0.000 0.467 54 F N -2.892 117.018 119.950 -0.066 0.000 2.817 54 F HA 0.144 4.672 4.527 0.001 0.000 0.419 54 F C 1.326 177.104 175.800 -0.038 0.000 0.901 54 F CA 0.251 58.223 58.000 -0.047 0.000 0.920 54 F CB 0.691 39.662 39.000 -0.048 0.000 1.287 54 F HN 0.096 nan 8.300 nan 0.000 0.562 55 G N 1.851 110.724 108.800 0.123 0.000 2.176 55 G HA2 -0.250 3.711 3.960 0.001 0.000 0.253 55 G HA3 -0.250 3.711 3.960 0.001 0.000 0.253 55 G C 0.104 175.038 174.900 0.056 0.000 0.979 55 G CA 0.332 45.471 45.100 0.065 0.000 0.641 55 G HN 0.543 nan 8.290 nan 0.000 0.530 56 I N -1.470 119.144 120.570 0.073 0.000 2.397 56 I HA 0.510 4.680 4.170 0.001 0.000 0.311 56 I C -1.580 174.542 176.117 0.008 0.000 2.151 56 I CA -0.244 61.074 61.300 0.030 0.000 0.931 56 I CB 1.036 39.047 38.000 0.018 0.000 1.653 56 I HN 1.098 nan 8.210 nan 0.000 0.634 57 A N 4.606 127.422 122.820 -0.006 0.000 2.385 57 A HA 0.895 5.216 4.320 0.001 0.000 0.290 57 A C -0.301 177.279 177.584 -0.007 0.000 1.094 57 A CA 0.374 52.398 52.037 -0.022 0.000 0.729 57 A CB 1.524 20.524 19.000 0.001 0.000 1.194 57 A HN 1.152 nan 8.150 nan 0.000 0.442 58 A N 2.200 125.007 122.820 -0.022 0.000 2.042 58 A HA 0.211 4.531 4.320 0.001 0.000 0.204 58 A C 1.526 179.106 177.584 -0.006 0.000 1.712 58 A CA 0.886 52.916 52.037 -0.010 0.000 0.890 58 A CB -0.343 18.646 19.000 -0.018 0.000 1.176 58 A HN 0.729 nan 8.150 nan 0.000 0.573 59 N N -0.442 118.246 118.700 -0.021 0.000 2.081 59 N HA 0.019 4.760 4.740 0.001 0.000 0.191 59 N C -0.459 175.030 175.510 -0.033 0.000 1.053 59 N CA 0.904 53.942 53.050 -0.020 0.000 0.846 59 N CB -0.273 38.208 38.487 -0.010 0.000 1.032 59 N HN 0.311 nan 8.380 nan 0.000 0.431 60 I N 2.316 122.829 120.570 -0.094 0.000 2.803 60 I HA -0.264 3.907 4.170 0.001 0.000 0.126 60 I C -0.808 175.117 176.117 -0.320 0.000 0.890 60 I CA 0.799 61.948 61.300 -0.251 0.000 2.783 60 I CB -0.529 37.277 38.000 -0.323 0.000 0.619 60 I HN 0.182 nan 8.210 nan 0.000 0.351 61 D N 6.342 126.525 120.400 -0.361 0.000 2.198 61 D HA 0.555 5.196 4.640 0.001 0.000 0.247 61 D C -0.082 175.954 176.300 -0.440 0.000 1.010 61 D CA -0.207 53.665 54.000 -0.214 0.000 0.880 61 D CB 0.856 41.628 40.800 -0.047 0.000 1.209 61 D HN 0.332 nan 8.370 nan 0.000 0.451 62 F N 0.755 120.736 119.950 0.052 0.000 2.831 62 F HA 0.291 4.819 4.527 0.001 0.000 0.355 62 F C -2.042 173.789 175.800 0.052 0.000 1.341 62 F CA -1.609 56.420 58.000 0.049 0.000 1.201 62 F CB 0.549 39.577 39.000 0.046 0.000 1.058 62 F HN -0.047 nan 8.300 nan 0.000 0.514 63 P HA -0.008 nan 4.420 nan 0.000 0.265 63 P C 0.075 177.452 177.300 0.128 0.000 1.187 63 P CA 0.235 63.422 63.100 0.144 0.000 0.766 63 P CB 0.771 32.570 31.700 0.166 0.000 0.820 64 L N 5.250 126.539 121.223 0.110 0.000 2.436 64 L HA 0.132 4.473 4.340 0.001 0.000 0.265 64 L C -1.149 175.762 176.870 0.068 0.000 1.168 64 L CA -1.644 53.248 54.840 0.087 0.000 0.815 64 L CB 0.105 42.209 42.059 0.075 0.000 1.109 64 L HN 0.319 nan 8.230 nan 0.000 0.462 65 P HA -0.280 nan 4.420 nan 0.000 0.214 65 P C 1.425 178.630 177.300 -0.159 0.000 1.172 65 P CA 1.992 65.078 63.100 -0.024 0.000 0.925 65 P CB 0.119 31.826 31.700 0.012 0.000 0.793 66 A N -0.821 121.908 122.820 -0.151 0.000 1.971 66 A HA -0.293 4.028 4.320 0.001 0.000 0.222 66 A C 2.498 180.012 177.584 -0.117 0.000 1.182 66 A CA 2.664 54.594 52.037 -0.179 0.000 0.649 66 A CB -1.796 17.270 19.000 0.109 0.000 0.818 66 A HN 0.279 nan 8.150 nan 0.000 0.458 67 S N -2.441 113.248 115.700 -0.019 0.000 2.489 67 S HA -0.005 4.466 4.470 0.001 0.000 0.228 67 S C 1.483 176.101 174.600 0.029 0.000 0.995 67 S CA 0.975 59.186 58.200 0.019 0.000 0.934 67 S CB -0.494 62.736 63.200 0.050 0.000 0.771 67 S HN 0.576 nan 8.310 nan 0.000 0.522 68 F N 2.285 122.152 119.950 -0.137 0.000 2.123 68 F HA 0.131 4.658 4.527 0.001 0.000 0.289 68 F C 1.765 177.414 175.800 -0.251 0.000 1.099 68 F CA 0.891 58.808 58.000 -0.138 0.000 1.234 68 F CB -0.490 38.438 39.000 -0.120 0.000 1.034 68 F HN 0.101 nan 8.300 nan 0.000 0.479 69 I N 0.473 120.769 120.570 -0.457 0.000 2.113 69 I HA -0.388 3.783 4.170 0.001 0.000 0.242 69 I C 2.453 177.857 176.117 -1.188 0.000 1.057 69 I CA 1.707 62.515 61.300 -0.820 0.000 1.314 69 I CB -1.901 35.580 38.000 -0.865 0.000 1.022 69 I HN 0.519 nan 8.210 nan 0.000 0.408 70 W N 2.205 122.911 121.300 -0.991 0.000 2.425 70 W HA -0.225 4.435 4.660 0.001 0.000 0.277 70 W C 2.230 178.461 176.519 -0.480 0.000 1.231 70 W CA 1.812 58.662 57.345 -0.825 0.000 1.248 70 W CB -0.366 28.860 29.460 -0.390 0.000 1.117 70 W HN 0.294 nan 8.180 nan 0.000 0.568 71 D N 0.410 120.664 120.400 -0.243 0.000 2.097 71 D HA -0.229 4.412 4.640 0.001 0.000 0.195 71 D C 2.161 178.289 176.300 -0.287 0.000 0.989 71 D CA 1.958 55.855 54.000 -0.172 0.000 0.827 71 D CB -0.379 40.309 40.800 -0.187 0.000 0.966 71 D HN -0.061 nan 8.370 nan 0.000 0.456 72 M N -0.334 118.965 119.600 -0.502 0.000 2.117 72 M HA -0.092 4.388 4.480 0.001 0.000 0.262 72 M C 2.495 178.712 176.300 -0.137 0.000 1.065 72 M CA 0.970 56.080 55.300 -0.318 0.000 1.114 72 M CB -1.593 30.790 32.600 -0.362 0.000 1.361 72 M HN 0.149 nan 8.290 nan 0.000 0.408 73 F N 0.279 119.835 119.950 -0.656 0.000 2.087 73 F HA -0.292 4.235 4.527 0.001 0.000 0.299 73 F C 2.488 178.018 175.800 -0.449 0.000 1.100 73 F CA 0.942 58.535 58.000 -0.678 0.000 1.226 73 F CB -0.603 37.774 39.000 -1.038 0.000 0.983 73 F HN -0.052 nan 8.300 nan 0.000 0.479 74 V N 0.183 119.967 119.914 -0.218 0.000 2.392 74 V HA -0.304 3.816 4.120 0.001 0.000 0.249 74 V C 2.165 178.223 176.094 -0.059 0.000 1.059 74 V CA 1.819 64.050 62.300 -0.115 0.000 1.051 74 V CB -0.683 31.131 31.823 -0.016 0.000 0.658 74 V HN 0.307 nan 8.190 nan 0.000 0.455 75 R N -0.504 119.969 120.500 -0.046 0.000 2.056 75 R HA -0.065 4.275 4.340 0.001 0.000 0.227 75 R C 2.261 178.553 176.300 -0.014 0.000 1.149 75 R CA 1.415 57.503 56.100 -0.019 0.000 0.937 75 R CB -0.738 29.553 30.300 -0.014 0.000 0.835 75 R HN 0.372 nan 8.270 nan 0.000 0.430 76 V N 2.568 122.504 119.914 0.036 0.000 2.220 76 V HA -0.183 3.938 4.120 0.001 0.000 0.242 76 V C 1.678 177.737 176.094 -0.057 0.000 1.041 76 V CA 1.367 63.673 62.300 0.011 0.000 0.990 76 V CB -0.498 31.403 31.823 0.130 0.000 0.634 76 V HN 0.169 nan 8.190 nan 0.000 0.452 77 L N 1.886 123.063 121.223 -0.077 0.000 2.483 77 L HA 0.115 4.455 4.340 0.001 0.000 0.277 77 L C -1.945 174.830 176.870 -0.159 0.000 1.248 77 L CA -0.976 53.753 54.840 -0.184 0.000 0.825 77 L CB -0.578 41.277 42.059 -0.340 0.000 1.096 77 L HN 0.250 nan 8.230 nan 0.000 0.512 78 P HA 0.076 nan 4.420 nan 0.000 0.287 78 P C -0.866 176.403 177.300 -0.052 0.000 1.294 78 P CA -0.246 62.800 63.100 -0.089 0.000 0.776 78 P CB 0.897 32.555 31.700 -0.071 0.000 0.889 79 E N 1.988 122.188 120.200 -0.001 0.000 2.369 79 E HA -0.145 4.206 4.350 0.001 0.000 0.165 79 E C -0.245 176.425 176.600 0.116 0.000 1.622 79 E CA 0.336 56.776 56.400 0.068 0.000 0.660 79 E CB -0.623 29.142 29.700 0.108 0.000 1.085 79 E HN 0.430 nan 8.360 nan 0.000 0.346 80 I N 2.889 123.496 120.570 0.061 0.000 2.354 80 I HA 0.281 4.451 4.170 0.001 0.000 0.292 80 I C -1.465 174.799 176.117 0.245 0.000 0.989 80 I CA -2.436 58.929 61.300 0.108 0.000 1.188 80 I CB 0.818 38.732 38.000 -0.143 0.000 1.342 80 I HN 0.074 nan 8.210 nan 0.000 0.457 81 P HA 0.118 nan 4.420 nan 0.000 0.268 81 P C -0.648 176.921 177.300 0.448 0.000 1.205 81 P CA -0.385 62.925 63.100 0.350 0.000 0.771 81 P CB 0.707 32.612 31.700 0.342 0.000 0.858 82 K N 2.331 122.920 120.400 0.315 0.000 2.401 82 K HA 0.080 4.401 4.320 0.001 0.000 0.278 82 K C 0.307 177.045 176.600 0.230 0.000 1.018 82 K CA 0.062 56.541 56.287 0.319 0.000 0.981 82 K CB 0.116 32.725 32.500 0.180 0.000 0.933 82 K HN 0.472 nan 8.250 nan 0.000 0.477 83 E N 1.231 121.472 120.200 0.067 0.000 7.387 83 E HA -0.175 4.176 4.350 0.001 0.000 0.318 83 E C -0.703 175.768 176.600 -0.214 0.000 0.824 83 E CA 0.117 56.369 56.400 -0.247 0.000 1.347 83 E CB -0.199 29.452 29.700 -0.081 0.000 0.927 83 E HN 0.720 nan 8.360 nan 0.000 0.269 84 S N 1.994 117.278 115.700 -0.692 0.000 2.580 84 S HA 0.325 4.796 4.470 0.001 0.000 0.266 84 S C 1.111 175.748 174.600 0.061 0.000 1.354 84 S CA 0.560 58.613 58.200 -0.245 0.000 1.008 84 S CB 1.145 64.064 63.200 -0.468 0.000 0.898 84 S HN 0.634 nan 8.310 nan 0.000 0.555 85 A N 2.624 125.611 122.820 0.279 0.000 2.307 85 A HA 0.382 4.703 4.320 0.001 0.000 0.218 85 A C 0.561 178.147 177.584 0.003 0.000 1.228 85 A CA -0.137 51.971 52.037 0.119 0.000 0.857 85 A CB -0.418 18.630 19.000 0.079 0.000 0.897 85 A HN 0.767 nan 8.150 nan 0.000 0.495 86 F N 1.190 121.226 119.950 0.143 0.000 2.735 86 F HA 0.149 4.676 4.527 0.001 0.000 0.304 86 F C 0.948 176.847 175.800 0.165 0.000 1.119 86 F CA -0.838 57.283 58.000 0.202 0.000 1.280 86 F CB 0.191 39.379 39.000 0.313 0.000 0.994 86 F HN 0.338 nan 8.300 nan 0.000 0.520 87 N N 1.234 120.048 118.700 0.189 0.000 2.454 87 N HA -0.050 4.691 4.740 0.001 0.000 0.254 87 N C 1.248 176.852 175.510 0.156 0.000 1.228 87 N CA -0.141 52.980 53.050 0.118 0.000 0.900 87 N CB 1.008 39.509 38.487 0.023 0.000 1.089 87 N HN 0.253 nan 8.380 nan 0.000 0.449 88 K N 1.564 122.049 120.400 0.142 0.000 2.127 88 K HA -0.349 3.971 4.320 0.001 0.000 0.212 88 K C 1.289 177.960 176.600 0.118 0.000 1.050 88 K CA 2.269 58.635 56.287 0.131 0.000 0.929 88 K CB 0.022 32.572 32.500 0.082 0.000 0.715 88 K HN 0.617 nan 8.250 nan 0.000 0.457 89 Q N 0.406 120.278 119.800 0.121 0.000 1.917 89 Q HA -0.128 4.212 4.340 0.001 0.000 0.205 89 Q C 2.260 178.418 176.000 0.264 0.000 0.988 89 Q CA 2.401 58.305 55.803 0.168 0.000 0.851 89 Q CB -0.589 28.254 28.738 0.175 0.000 0.916 89 Q HN 0.514 nan 8.270 nan 0.000 0.424 90 S N 0.475 116.322 115.700 0.246 0.000 2.392 90 S HA -0.270 4.200 4.470 0.001 0.000 0.232 90 S C 1.950 176.705 174.600 0.259 0.000 1.041 90 S CA 1.643 60.001 58.200 0.265 0.000 1.026 90 S CB -0.498 62.772 63.200 0.117 0.000 0.845 90 S HN 0.236 nan 8.310 nan 0.000 0.465 91 M N 1.687 121.409 119.600 0.202 0.000 2.080 91 M HA -0.112 4.369 4.480 0.001 0.000 0.260 91 M C 2.608 179.035 176.300 0.212 0.000 1.068 91 M CA 1.703 57.138 55.300 0.226 0.000 1.109 91 M CB -1.209 31.572 32.600 0.301 0.000 1.342 91 M HN 0.406 nan 8.290 nan 0.000 0.405 92 S N -0.240 115.527 115.700 0.111 0.000 2.365 92 S HA -0.195 4.275 4.470 0.001 0.000 0.225 92 S C 1.382 175.946 174.600 -0.059 0.000 1.039 92 S CA 1.566 59.721 58.200 -0.075 0.000 1.033 92 S CB -0.460 62.558 63.200 -0.303 0.000 0.887 92 S HN 0.495 nan 8.310 nan 0.000 0.447 93 W N 1.625 122.990 121.300 0.109 0.000 2.380 93 W HA 0.024 4.685 4.660 0.001 0.000 0.317 93 W C 2.495 179.128 176.519 0.190 0.000 1.196 93 W CA 0.602 58.002 57.345 0.093 0.000 1.307 93 W CB -0.393 29.106 29.460 0.065 0.000 1.157 93 W HN 0.143 nan 8.180 nan 0.000 0.483 94 K N 0.233 120.907 120.400 0.457 0.000 2.113 94 K HA -0.193 4.128 4.320 0.001 0.000 0.208 94 K C 1.820 178.634 176.600 0.356 0.000 1.047 94 K CA 1.350 57.916 56.287 0.464 0.000 0.928 94 K CB -0.690 32.033 32.500 0.372 0.000 0.716 94 K HN 0.257 nan 8.250 nan 0.000 0.446 95 L N 0.260 121.653 121.223 0.285 0.000 2.376 95 L HA -0.073 4.268 4.340 0.001 0.000 0.219 95 L C 2.401 179.380 176.870 0.182 0.000 1.133 95 L CA 0.478 55.463 54.840 0.241 0.000 0.816 95 L CB -0.094 42.106 42.059 0.235 0.000 0.933 95 L HN 0.282 nan 8.230 nan 0.000 0.449 96 M N -0.731 118.983 119.600 0.191 0.000 2.388 96 M HA -0.100 4.381 4.480 0.001 0.000 0.265 96 M C 1.961 178.436 176.300 0.290 0.000 1.088 96 M CA 1.367 56.782 55.300 0.193 0.000 1.134 96 M CB 0.124 32.789 32.600 0.108 0.000 1.384 96 M HN 0.188 nan 8.290 nan 0.000 0.447 97 T N -1.221 113.527 114.554 0.324 0.000 3.054 97 T HA 0.111 4.462 4.350 0.001 0.000 0.259 97 T C 1.631 176.314 174.700 -0.028 0.000 1.092 97 T CA 0.409 62.615 62.100 0.177 0.000 1.121 97 T CB -0.222 68.713 68.868 0.113 0.000 0.912 97 T HN 0.332 nan 8.240 nan 0.000 0.489 98 L N 0.127 121.338 121.223 -0.021 0.000 2.121 98 L HA 0.230 4.571 4.340 0.001 0.000 0.200 98 L C 2.590 179.439 176.870 -0.035 0.000 1.077 98 L CA 0.547 55.342 54.840 -0.075 0.000 0.766 98 L CB -0.759 41.294 42.059 -0.011 0.000 0.931 98 L HN 0.139 nan 8.230 nan 0.000 0.452 99 L N 0.615 121.862 121.223 0.041 0.000 2.030 99 L HA -0.249 4.091 4.340 0.001 0.000 0.222 99 L C -0.146 176.695 176.870 -0.049 0.000 1.082 99 L CA 2.059 56.915 54.840 0.026 0.000 0.785 99 L CB -2.025 40.082 42.059 0.080 0.000 0.895 99 L HN 0.257 nan 8.230 nan 0.000 0.439 100 P HA -0.221 nan 4.420 nan 0.000 0.217 100 P C 1.252 178.505 177.300 -0.079 0.000 1.148 100 P CA 1.659 64.739 63.100 -0.032 0.000 0.834 100 P CB -0.023 31.677 31.700 -0.000 0.000 0.783 101 Q N -0.645 119.090 119.800 -0.108 0.000 2.163 101 Q HA 0.058 4.399 4.340 0.001 0.000 0.198 101 Q C 2.411 178.287 176.000 -0.207 0.000 0.954 101 Q CA 0.681 56.404 55.803 -0.133 0.000 0.851 101 Q CB -0.425 28.235 28.738 -0.130 0.000 0.928 101 Q HN 0.263 nan 8.270 nan 0.000 0.459 102 L N 0.933 121.969 121.223 -0.313 0.000 2.549 102 L HA -0.020 4.320 4.340 0.001 0.000 0.229 102 L C 0.865 177.283 176.870 -0.753 0.000 1.158 102 L CA 0.102 54.553 54.840 -0.648 0.000 0.842 102 L CB -0.141 41.347 42.059 -0.951 0.000 0.952 102 L HN 0.178 nan 8.230 nan 0.000 0.452 103 L N 0.042 121.052 121.223 -0.356 0.000 2.479 103 L HA 0.023 4.364 4.340 0.001 0.000 0.248 103 L C 1.026 177.829 176.870 -0.111 0.000 1.205 103 L CA -0.101 54.635 54.840 -0.174 0.000 0.817 103 L CB 0.155 42.176 42.059 -0.064 0.000 1.162 103 L HN 0.294 nan 8.230 nan 0.000 0.486 104 E N -0.597 119.593 120.200 -0.017 0.000 2.252 104 E HA -0.270 4.080 4.350 0.001 0.000 0.218 104 E C 0.213 176.812 176.600 -0.002 0.000 1.253 104 E CA 0.910 57.315 56.400 0.007 0.000 0.705 104 E CB -0.997 28.699 29.700 -0.007 0.000 1.172 104 E HN 0.642 nan 8.360 nan 0.000 0.369 105 R N 0.377 120.895 120.500 0.031 0.000 2.394 105 R HA 0.048 4.388 4.340 0.001 0.000 0.220 105 R C 1.088 177.449 176.300 0.102 0.000 0.887 105 R CA 0.756 56.891 56.100 0.059 0.000 1.034 105 R CB 0.325 30.672 30.300 0.078 0.000 1.179 105 R HN 0.421 nan 8.270 nan 0.000 0.561 106 E N -0.641 119.620 120.200 0.103 0.000 4.549 106 E HA -0.251 4.099 4.350 0.001 0.000 0.193 106 E C 0.543 177.196 176.600 0.088 0.000 0.844 106 E CA 1.793 58.237 56.400 0.073 0.000 2.448 106 E CB -1.703 28.032 29.700 0.058 0.000 1.641 106 E HN 0.180 nan 8.360 nan 0.000 0.584 107 D N -0.513 119.991 120.400 0.174 0.000 2.078 107 D HA -0.052 4.589 4.640 0.001 0.000 0.193 107 D C 1.292 177.654 176.300 0.104 0.000 0.990 107 D CA 1.767 55.868 54.000 0.169 0.000 0.827 107 D CB -0.315 40.693 40.800 0.347 0.000 0.975 107 D HN 0.325 nan 8.370 nan 0.000 0.451 108 F N 0.815 120.752 119.950 -0.023 0.000 2.693 108 F HA 0.118 4.646 4.527 0.001 0.000 0.303 108 F C 2.123 177.822 175.800 -0.169 0.000 1.143 108 F CA 0.084 58.019 58.000 -0.108 0.000 1.389 108 F CB -0.707 38.242 39.000 -0.085 0.000 1.060 108 F HN -0.188 nan 8.300 nan 0.000 0.535 109 T N 0.334 114.890 114.554 0.003 0.000 2.737 109 T HA -0.237 4.114 4.350 0.001 0.000 0.269 109 T C 2.337 176.814 174.700 -0.371 0.000 1.040 109 T CA 1.198 63.208 62.100 -0.150 0.000 1.142 109 T CB -0.275 68.499 68.868 -0.155 0.000 0.861 109 T HN 0.355 nan 8.240 nan 0.000 0.456 110 L N 0.229 121.267 121.223 -0.308 0.000 2.083 110 L HA -0.037 4.304 4.340 0.001 0.000 0.209 110 L C 2.246 178.939 176.870 -0.296 0.000 1.083 110 L CA 1.309 55.948 54.840 -0.335 0.000 0.752 110 L CB -0.256 41.613 42.059 -0.315 0.000 0.899 110 L HN 0.335 nan 8.230 nan 0.000 0.433 111 L N -1.592 119.441 121.223 -0.316 0.000 2.162 111 L HA -0.126 4.215 4.340 0.001 0.000 0.205 111 L C 2.657 179.522 176.870 -0.008 0.000 1.086 111 L CA 0.438 55.146 54.840 -0.220 0.000 0.778 111 L CB -0.705 41.157 42.059 -0.328 0.000 0.928 111 L HN 0.236 nan 8.230 nan 0.000 0.446 112 R N 0.300 120.800 120.500 -0.001 0.000 2.140 112 R HA -0.221 4.119 4.340 0.001 0.000 0.250 112 R C 2.143 178.574 176.300 0.218 0.000 1.150 112 R CA 2.125 58.286 56.100 0.101 0.000 0.966 112 R CB -0.346 30.034 30.300 0.132 0.000 0.869 112 R HN 0.588 nan 8.270 nan 0.000 0.445 113 H N -2.696 116.382 119.070 0.014 0.000 2.384 113 H HA -0.106 4.451 4.556 0.001 0.000 0.300 113 H C 1.838 177.182 175.328 0.026 0.000 1.057 113 H CA 0.849 56.905 56.048 0.013 0.000 1.370 113 H CB -0.179 29.591 29.762 0.014 0.000 1.417 113 H HN 0.244 nan 8.280 nan 0.000 0.527 114 Y N 1.938 122.262 120.300 0.040 0.000 2.241 114 Y HA -0.207 4.344 4.550 0.001 0.000 0.286 114 Y C 1.891 177.776 175.900 -0.025 0.000 1.166 114 Y CA 1.210 59.296 58.100 -0.023 0.000 1.203 114 Y CB -0.315 38.085 38.460 -0.100 0.000 0.977 114 Y HN 0.067 nan 8.280 nan 0.000 0.529 115 L N -0.507 120.708 121.223 -0.015 0.000 2.446 115 L HA -0.034 4.307 4.340 0.001 0.000 0.219 115 L C 2.363 179.186 176.870 -0.078 0.000 1.116 115 L CA 0.936 55.721 54.840 -0.091 0.000 0.844 115 L CB -0.557 41.507 42.059 0.008 0.000 0.970 115 L HN 0.360 nan 8.230 nan 0.000 0.457 116 T N -2.752 111.778 114.554 -0.040 0.000 2.671 116 T HA -0.154 4.197 4.350 0.001 0.000 0.250 116 T C 1.531 176.193 174.700 -0.063 0.000 1.068 116 T CA 0.866 62.941 62.100 -0.041 0.000 1.177 116 T CB -0.681 68.170 68.868 -0.029 0.000 0.876 116 T HN 0.324 nan 8.240 nan 0.000 0.405 117 D N 2.799 123.161 120.400 -0.064 0.000 4.671 117 D HA -0.158 4.483 4.640 0.001 0.000 0.191 117 D C 0.481 176.741 176.300 -0.066 0.000 1.436 117 D CA 2.171 56.132 54.000 -0.065 0.000 0.914 117 D CB -1.094 39.666 40.800 -0.066 0.000 0.849 117 D HN 0.914 nan 8.370 nan 0.000 0.591 118 D N -5.224 115.127 120.400 -0.082 0.000 2.993 118 D HA 0.549 5.189 4.640 0.001 0.000 0.284 118 D C -0.793 175.456 176.300 -0.086 0.000 1.172 118 D CA -0.273 53.685 54.000 -0.070 0.000 0.729 118 D CB 0.568 41.329 40.800 -0.064 0.000 1.270 118 D HN 0.100 nan 8.370 nan 0.000 0.436 119 S N -0.990 114.673 115.700 -0.061 0.000 2.596 119 S HA 0.419 4.889 4.470 0.001 0.000 0.274 119 S C -2.270 172.314 174.600 -0.027 0.000 1.028 119 S CA -0.056 58.111 58.200 -0.056 0.000 1.012 119 S CB 0.139 63.299 63.200 -0.066 0.000 1.261 119 S HN 1.140 nan 8.310 nan 0.000 0.465 120 D N 0.573 120.964 120.400 -0.015 0.000 3.964 120 D HA 0.180 4.821 4.640 0.001 0.000 0.269 120 D C -0.251 176.053 176.300 0.006 0.000 1.500 120 D CA -0.253 53.748 54.000 0.002 0.000 0.770 120 D CB -0.664 40.137 40.800 0.002 0.000 1.356 120 D HN 0.686 nan 8.370 nan 0.000 0.755 121 K N 0.165 120.572 120.400 0.011 0.000 3.446 121 K HA -0.249 4.071 4.320 0.001 0.000 0.312 121 K C 1.365 177.979 176.600 0.022 0.000 1.329 121 K CA 1.116 57.416 56.287 0.023 0.000 0.935 121 K CB -0.982 31.531 32.500 0.022 0.000 1.281 121 K HN 0.320 nan 8.250 nan 0.000 0.457 122 R N 1.713 122.218 120.500 0.009 0.000 2.057 122 R HA -0.004 4.337 4.340 0.001 0.000 0.224 122 R C 1.755 178.080 176.300 0.041 0.000 1.136 122 R CA 1.388 57.503 56.100 0.024 0.000 0.968 122 R CB 0.076 30.373 30.300 -0.005 0.000 0.863 122 R HN 0.160 nan 8.270 nan 0.000 0.433 123 K N 0.484 120.878 120.400 -0.010 0.000 2.103 123 K HA -0.113 4.207 4.320 0.001 0.000 0.204 123 K C 2.087 178.720 176.600 0.055 0.000 1.052 123 K CA 0.980 57.257 56.287 -0.018 0.000 0.945 123 K CB -0.169 32.201 32.500 -0.216 0.000 0.722 123 K HN 0.102 nan 8.250 nan 0.000 0.443 124 L N 0.455 121.705 121.223 0.044 0.000 2.083 124 L HA -0.142 4.199 4.340 0.001 0.000 0.209 124 L C 1.966 178.882 176.870 0.077 0.000 1.083 124 L CA 1.556 56.434 54.840 0.065 0.000 0.752 124 L CB -0.387 41.711 42.059 0.066 0.000 0.899 124 L HN 0.053 nan 8.230 nan 0.000 0.433 125 F N -0.245 119.645 119.950 -0.100 0.000 2.293 125 F HA -0.088 4.440 4.527 0.001 0.000 0.297 125 F C 2.422 178.139 175.800 -0.139 0.000 1.089 125 F CA 1.361 59.250 58.000 -0.185 0.000 1.377 125 F CB -0.251 38.601 39.000 -0.247 0.000 1.051 125 F HN 0.187 nan 8.300 nan 0.000 0.511 126 Q N -0.367 119.371 119.800 -0.103 0.000 2.119 126 Q HA -0.182 4.159 4.340 0.001 0.000 0.201 126 Q C 2.153 178.076 176.000 -0.130 0.000 0.972 126 Q CA 1.558 57.270 55.803 -0.152 0.000 0.847 126 Q CB -0.391 28.345 28.738 -0.003 0.000 0.903 126 Q HN 0.413 nan 8.270 nan 0.000 0.433 127 L N 0.368 121.565 121.223 -0.044 0.000 1.988 127 L HA -0.123 4.218 4.340 0.001 0.000 0.207 127 L C 2.185 179.011 176.870 -0.074 0.000 1.071 127 L CA 1.774 56.596 54.840 -0.030 0.000 0.744 127 L CB -0.688 41.362 42.059 -0.016 0.000 0.893 127 L HN -0.014 nan 8.230 nan 0.000 0.433 128 S N -0.821 114.817 115.700 -0.102 0.000 2.423 128 S HA -0.209 4.262 4.470 0.001 0.000 0.238 128 S C 1.930 176.414 174.600 -0.192 0.000 1.028 128 S CA 1.461 59.598 58.200 -0.103 0.000 1.000 128 S CB -0.352 62.779 63.200 -0.115 0.000 0.797 128 S HN 0.580 nan 8.310 nan 0.000 0.487 129 S N 0.719 116.219 115.700 -0.334 0.000 2.339 129 S HA 0.094 4.564 4.470 0.001 0.000 0.213 129 S C 1.851 176.350 174.600 -0.168 0.000 1.033 129 S CA 0.319 58.314 58.200 -0.342 0.000 0.950 129 S CB -0.164 62.702 63.200 -0.558 0.000 0.893 129 S HN 0.245 nan 8.310 nan 0.000 0.492 130 K N 2.162 122.495 120.400 -0.113 0.000 2.228 130 K HA -0.025 4.296 4.320 0.001 0.000 0.205 130 K C 1.969 178.581 176.600 0.019 0.000 1.045 130 K CA 1.195 57.469 56.287 -0.021 0.000 0.931 130 K CB -0.754 31.808 32.500 0.103 0.000 0.727 130 K HN 0.370 nan 8.250 nan 0.000 0.458 131 A N 1.108 123.926 122.820 -0.003 0.000 1.832 131 A HA 0.023 4.343 4.320 0.001 0.000 0.214 131 A C 2.424 179.838 177.584 -0.284 0.000 1.204 131 A CA 1.811 53.770 52.037 -0.130 0.000 0.606 131 A CB -0.888 18.075 19.000 -0.062 0.000 0.849 131 A HN 0.253 nan 8.150 nan 0.000 0.445 132 A N -0.096 122.677 122.820 -0.079 0.000 1.986 132 A HA -0.263 4.058 4.320 0.001 0.000 0.220 132 A C 1.779 179.398 177.584 0.059 0.000 1.171 132 A CA 2.109 54.206 52.037 0.101 0.000 0.640 132 A CB -0.731 18.329 19.000 0.100 0.000 0.811 132 A HN 0.541 nan 8.150 nan 0.000 0.451 133 D N -0.188 120.185 120.400 -0.045 0.000 2.097 133 D HA -0.110 4.531 4.640 0.001 0.000 0.195 133 D C 2.019 178.253 176.300 -0.111 0.000 0.989 133 D CA 1.108 55.072 54.000 -0.059 0.000 0.827 133 D CB -0.266 40.478 40.800 -0.094 0.000 0.966 133 D HN 0.458 nan 8.370 nan 0.000 0.456 134 L N 0.002 121.092 121.223 -0.221 0.000 2.017 134 L HA -0.168 4.173 4.340 0.001 0.000 0.208 134 L C 2.628 179.218 176.870 -0.467 0.000 1.073 134 L CA 1.023 55.588 54.840 -0.458 0.000 0.745 134 L CB -0.478 41.281 42.059 -0.501 0.000 0.894 134 L HN 0.048 nan 8.230 nan 0.000 0.432 135 F N -0.125 119.729 119.950 -0.161 0.000 2.095 135 F HA -0.334 4.194 4.527 0.001 0.000 0.298 135 F C 2.612 178.410 175.800 -0.004 0.000 1.104 135 F CA 1.173 59.173 58.000 0.000 0.000 1.232 135 F CB -0.347 38.807 39.000 0.258 0.000 0.987 135 F HN 0.314 nan 8.300 nan 0.000 0.475 136 D N 0.354 120.900 120.400 0.243 0.000 2.182 136 D HA -0.235 4.406 4.640 0.001 0.000 0.201 136 D C 1.985 178.358 176.300 0.122 0.000 0.986 136 D CA 1.351 55.462 54.000 0.185 0.000 0.847 136 D CB -0.126 40.760 40.800 0.144 0.000 0.942 136 D HN 0.415 nan 8.370 nan 0.000 0.467 137 Q N -1.024 118.797 119.800 0.037 0.000 2.062 137 Q HA -0.105 4.235 4.340 0.001 0.000 0.196 137 Q C 2.217 178.326 176.000 0.182 0.000 0.967 137 Q CA 0.692 56.540 55.803 0.074 0.000 0.832 137 Q CB -0.070 28.612 28.738 -0.093 0.000 0.899 137 Q HN 0.475 nan 8.270 nan 0.000 0.442 138 Y N 0.179 120.541 120.300 0.103 0.000 2.315 138 Y HA -0.206 4.345 4.550 0.001 0.000 0.288 138 Y C 1.861 177.689 175.900 -0.119 0.000 1.154 138 Y CA 0.101 58.193 58.100 -0.014 0.000 1.229 138 Y CB 0.104 38.612 38.460 0.080 0.000 0.980 138 Y HN 0.168 nan 8.280 nan 0.000 0.540 139 L N -0.610 120.663 121.223 0.083 0.000 2.633 139 L HA -0.134 4.207 4.340 0.001 0.000 0.235 139 L C 1.202 178.060 176.870 -0.020 0.000 1.163 139 L CA 0.268 55.129 54.840 0.035 0.000 0.859 139 L CB -0.041 42.089 42.059 0.118 0.000 0.973 139 L HN 0.179 nan 8.230 nan 0.000 0.451 140 V N -3.134 116.698 119.914 -0.137 0.000 3.159 140 V HA 0.026 4.147 4.120 0.001 0.000 0.234 140 V C -0.223 175.412 176.094 -0.765 0.000 1.313 140 V CA -0.123 61.873 62.300 -0.506 0.000 1.271 140 V CB 0.173 31.606 31.823 -0.649 0.000 1.053 140 V HN 0.045 nan 8.190 nan 0.000 0.476 141 Y N 2.555 122.718 120.300 -0.229 0.000 2.402 141 Y HA 0.707 5.258 4.550 0.001 0.000 0.332 141 Y C 0.348 175.990 175.900 -0.430 0.000 0.960 141 Y CA -1.175 56.750 58.100 -0.291 0.000 1.228 141 Y CB 0.884 39.211 38.460 -0.223 0.000 1.120 141 Y HN 0.090 nan 8.280 nan 0.000 0.491 142 R N 0.895 121.113 120.500 -0.470 0.000 3.328 142 R HA -0.110 4.231 4.340 0.001 0.000 0.287 142 R C -2.660 173.343 176.300 -0.495 0.000 1.126 142 R CA 0.082 55.694 56.100 -0.813 0.000 0.764 142 R CB -2.367 26.797 30.300 -1.893 0.000 1.380 142 R HN 0.511 nan 8.270 nan 0.000 0.428 143 P HA -0.112 nan 4.420 nan 0.000 0.234 143 P C 0.449 177.748 177.300 -0.001 0.000 1.167 143 P CA 1.107 64.173 63.100 -0.058 0.000 0.763 143 P CB 0.218 31.976 31.700 0.097 0.000 0.835 144 D N -1.997 118.370 120.400 -0.055 0.000 2.305 144 D HA -0.116 4.524 4.640 0.001 0.000 0.206 144 D C 1.668 177.943 176.300 -0.041 0.000 0.974 144 D CA 0.230 54.224 54.000 -0.009 0.000 0.871 144 D CB -0.939 39.865 40.800 0.007 0.000 0.947 144 D HN 0.097 nan 8.370 nan 0.000 0.516 145 W N 1.992 123.028 121.300 -0.439 0.000 2.338 145 W HA -0.046 4.614 4.660 0.001 0.000 0.304 145 W C 2.397 178.293 176.519 -1.039 0.000 1.212 145 W CA 0.468 57.300 57.345 -0.855 0.000 1.264 145 W CB -0.874 27.906 29.460 -1.133 0.000 1.142 145 W HN -0.007 nan 8.180 nan 0.000 0.512 146 L N -0.273 120.659 121.223 -0.485 0.000 2.005 146 L HA -0.154 4.187 4.340 0.001 0.000 0.207 146 L C 2.630 179.612 176.870 0.187 0.000 1.072 146 L CA 1.484 56.144 54.840 -0.300 0.000 0.744 146 L CB -1.720 40.089 42.059 -0.416 0.000 0.895 146 L HN -0.112 nan 8.230 nan 0.000 0.433 147 A N -0.446 122.466 122.820 0.152 0.000 2.042 147 A HA -0.316 4.005 4.320 0.001 0.000 0.222 147 A C 2.206 179.871 177.584 0.134 0.000 1.167 147 A CA 2.184 54.326 52.037 0.174 0.000 0.649 147 A CB -0.524 18.526 19.000 0.083 0.000 0.809 147 A HN 0.444 nan 8.150 nan 0.000 0.457 148 Q N -1.216 118.614 119.800 0.050 0.000 2.008 148 Q HA -0.098 4.242 4.340 0.001 0.000 0.196 148 Q C 1.846 178.014 176.000 0.279 0.000 0.973 148 Q CA 1.701 57.539 55.803 0.059 0.000 0.826 148 Q CB -0.340 28.343 28.738 -0.091 0.000 0.894 148 Q HN 0.775 nan 8.270 nan 0.000 0.439 149 W N 1.171 122.578 121.300 0.179 0.000 2.363 149 W HA -0.093 4.568 4.660 0.001 0.000 0.296 149 W C 1.913 178.605 176.519 0.288 0.000 1.212 149 W CA 1.175 58.653 57.345 0.221 0.000 1.260 149 W CB -0.946 28.658 29.460 0.240 0.000 1.131 149 W HN 0.439 nan 8.180 nan 0.000 0.530 150 E N -0.020 120.524 120.200 0.573 0.000 2.171 150 E HA -0.208 4.143 4.350 0.001 0.000 0.197 150 E C 1.645 178.401 176.600 0.260 0.000 0.997 150 E CA 2.133 58.748 56.400 0.359 0.000 0.810 150 E CB -0.007 29.888 29.700 0.326 0.000 0.738 150 E HN 0.193 nan 8.360 nan 0.000 0.467 151 T N -4.070 110.661 114.554 0.295 0.000 3.145 151 T HA 0.385 4.736 4.350 0.001 0.000 0.255 151 T C 1.211 176.090 174.700 0.299 0.000 1.039 151 T CA 0.336 62.607 62.100 0.285 0.000 0.928 151 T CB 0.835 69.888 68.868 0.308 0.000 1.029 151 T HN 0.282 nan 8.240 nan 0.000 0.554 152 G N 1.194 110.153 108.800 0.265 0.000 2.225 152 G HA2 -0.252 3.709 3.960 0.001 0.000 0.254 152 G HA3 -0.252 3.709 3.960 0.001 0.000 0.254 152 G C -0.085 174.883 174.900 0.114 0.000 0.988 152 G CA 0.032 45.221 45.100 0.148 0.000 0.625 152 G HN 0.730 nan 8.290 nan 0.000 0.527 153 H N 0.025 119.190 119.070 0.159 0.000 2.732 153 H HA 0.576 5.133 4.556 0.001 0.000 0.351 153 H C 0.748 176.200 175.328 0.207 0.000 1.090 153 H CA 0.032 56.162 56.048 0.137 0.000 1.431 153 H CB 0.819 30.641 29.762 0.101 0.000 1.447 153 H HN 0.247 nan 8.280 nan 0.000 0.582 154 L N 1.916 123.277 121.223 0.229 0.000 2.397 154 L HA 0.431 4.772 4.340 0.001 0.000 0.266 154 L C -0.357 176.583 176.870 0.117 0.000 1.040 154 L CA -0.654 54.303 54.840 0.195 0.000 0.800 154 L CB 1.177 43.272 42.059 0.059 0.000 1.324 154 L HN 0.384 nan 8.230 nan 0.000 0.469 155 V N 0.647 120.574 119.914 0.021 0.000 2.443 155 V HA 0.281 4.402 4.120 0.001 0.000 0.293 155 V C -0.470 175.582 176.094 -0.071 0.000 1.021 155 V CA -1.044 61.210 62.300 -0.078 0.000 0.848 155 V CB 1.334 32.985 31.823 -0.287 0.000 0.998 155 V HN 0.617 nan 8.190 nan 0.000 0.424 156 E N 3.427 123.614 120.200 -0.023 0.000 2.652 156 E HA 0.167 4.518 4.350 0.001 0.000 0.255 156 E C 1.265 177.854 176.600 -0.018 0.000 0.952 156 E CA 1.132 57.524 56.400 -0.014 0.000 0.947 156 E CB 0.459 30.162 29.700 0.006 0.000 0.912 156 E HN 1.154 nan 8.360 nan 0.000 0.489 157 G N 2.582 111.369 108.800 -0.022 0.000 2.179 157 G HA2 -0.244 3.717 3.960 0.001 0.000 0.220 157 G HA3 -0.244 3.717 3.960 0.001 0.000 0.220 157 G C 0.165 175.054 174.900 -0.020 0.000 0.990 157 G CA -0.149 44.945 45.100 -0.010 0.000 0.646 157 G HN 0.375 nan 8.290 nan 0.000 0.517 158 L N 0.880 122.061 121.223 -0.070 0.000 2.360 158 L HA 0.702 5.042 4.340 0.001 0.000 0.271 158 L C 1.592 178.420 176.870 -0.070 0.000 1.057 158 L CA -0.618 54.165 54.840 -0.095 0.000 0.803 158 L CB 1.012 42.915 42.059 -0.260 0.000 1.207 158 L HN 0.185 nan 8.230 nan 0.000 0.445 159 G N 0.904 109.679 108.800 -0.041 0.000 2.647 159 G HA2 0.142 4.103 3.960 0.001 0.000 0.271 159 G HA3 0.142 4.103 3.960 0.001 0.000 0.271 159 G C 0.135 175.000 174.900 -0.059 0.000 1.300 159 G CA -0.323 44.762 45.100 -0.025 0.000 0.997 159 G HN 0.696 nan 8.290 nan 0.000 0.533 160 E N -0.924 119.255 120.200 -0.035 0.000 4.520 160 E HA 0.330 4.681 4.350 0.001 0.000 0.569 160 E C 1.985 178.518 176.600 -0.111 0.000 1.225 160 E CA 0.958 57.325 56.400 -0.056 0.000 3.810 160 E CB -0.297 29.400 29.700 -0.005 0.000 1.842 160 E HN 1.104 nan 8.360 nan 0.000 0.397 161 A N -0.656 122.113 122.820 -0.086 0.000 3.976 161 A HA -0.463 3.858 4.320 0.001 0.000 0.246 161 A C 1.863 178.888 177.584 -0.932 0.000 0.591 161 A CA 2.608 54.425 52.037 -0.366 0.000 1.143 161 A CB -2.063 16.881 19.000 -0.094 0.000 1.238 161 A HN 0.597 nan 8.150 nan 0.000 0.666 162 Q N -0.343 119.127 119.800 -0.551 0.000 2.224 162 Q HA 0.112 4.452 4.340 0.001 0.000 0.203 162 Q C 2.169 177.795 176.000 -0.622 0.000 0.970 162 Q CA 1.901 57.319 55.803 -0.641 0.000 0.865 162 Q CB -0.405 28.105 28.738 -0.379 0.000 0.922 162 Q HN 1.346 nan 8.270 nan 0.000 0.445 163 A N 1.393 123.970 122.820 -0.405 0.000 1.948 163 A HA -0.178 4.142 4.320 0.001 0.000 0.220 163 A C 1.767 179.169 177.584 -0.303 0.000 1.177 163 A CA 1.638 53.521 52.037 -0.257 0.000 0.636 163 A CB -1.006 17.927 19.000 -0.112 0.000 0.815 163 A HN 0.857 nan 8.150 nan 0.000 0.449 164 W N -1.821 119.169 121.300 -0.518 0.000 2.792 164 W HA 0.170 4.831 4.660 0.001 0.000 0.262 164 W C 1.537 177.690 176.519 -0.610 0.000 1.212 164 W CA 0.510 57.346 57.345 -0.849 0.000 1.433 164 W CB -0.563 28.257 29.460 -1.066 0.000 1.004 164 W HN 0.338 nan 8.180 nan 0.000 0.608 165 Q N 1.579 120.696 119.800 -1.139 0.000 2.050 165 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 165 Q C 2.702 178.324 176.000 -0.629 0.000 0.980 165 Q CA 2.463 57.755 55.803 -0.851 0.000 0.840 165 Q CB -0.506 27.605 28.738 -1.045 0.000 0.898 165 Q HN 0.291 nan 8.270 nan 0.000 0.424 166 A N 1.555 123.672 122.820 -1.172 0.000 1.873 166 A HA -0.171 4.150 4.320 0.001 0.000 0.218 166 A C -0.408 177.007 177.584 -0.282 0.000 1.193 166 A CA 1.609 52.886 52.037 -1.266 0.000 0.629 166 A CB -1.597 16.648 19.000 -1.258 0.000 0.826 166 A HN 0.249 nan 8.150 nan 0.000 0.447 167 P HA -0.136 nan 4.420 nan 0.000 0.215 167 P C 1.837 179.307 177.300 0.283 0.000 1.157 167 P CA 0.673 63.855 63.100 0.137 0.000 0.863 167 P CB -0.153 31.696 31.700 0.248 0.000 0.787 168 L N -0.949 120.512 121.223 0.395 0.000 2.021 168 L HA -0.223 4.117 4.340 0.001 0.000 0.215 168 L C 2.228 179.371 176.870 0.455 0.000 1.074 168 L CA 2.162 57.328 54.840 0.543 0.000 0.760 168 L CB -0.909 41.555 42.059 0.675 0.000 0.889 168 L HN 0.219 nan 8.230 nan 0.000 0.433 169 W N 1.165 122.569 121.300 0.173 0.000 2.355 169 W HA -0.293 4.367 4.660 0.001 0.000 0.309 169 W C 2.525 179.102 176.519 0.096 0.000 1.206 169 W CA 1.788 59.095 57.345 -0.063 0.000 1.284 169 W CB -0.153 29.248 29.460 -0.098 0.000 1.145 169 W HN 0.194 nan 8.180 nan 0.000 0.502 170 K N 0.707 121.182 120.400 0.126 0.000 2.063 170 K HA -0.186 4.135 4.320 0.001 0.000 0.208 170 K C 2.234 178.837 176.600 0.006 0.000 1.048 170 K CA 1.907 58.216 56.287 0.038 0.000 0.928 170 K CB -0.473 32.121 32.500 0.157 0.000 0.713 170 K HN 0.063 nan 8.250 nan 0.000 0.442 171 A N 1.455 124.331 122.820 0.093 0.000 1.933 171 A HA -0.150 4.171 4.320 0.001 0.000 0.218 171 A C 2.121 179.767 177.584 0.104 0.000 1.175 171 A CA 1.301 53.404 52.037 0.110 0.000 0.628 171 A CB -0.589 18.508 19.000 0.162 0.000 0.814 171 A HN 0.447 nan 8.150 nan 0.000 0.444 172 L N -0.103 121.161 121.223 0.067 0.000 2.056 172 L HA -0.127 4.214 4.340 0.001 0.000 0.207 172 L C 2.428 179.276 176.870 -0.037 0.000 1.078 172 L CA 1.394 56.277 54.840 0.071 0.000 0.749 172 L CB -0.240 41.857 42.059 0.064 0.000 0.901 172 L HN 0.270 nan 8.230 nan 0.000 0.433 173 V N -0.003 119.785 119.914 -0.210 0.000 2.287 173 V HA -0.317 3.803 4.120 0.001 0.000 0.248 173 V C 2.327 178.447 176.094 0.044 0.000 1.053 173 V CA 2.139 64.389 62.300 -0.083 0.000 1.027 173 V CB -0.677 31.004 31.823 -0.236 0.000 0.646 173 V HN 0.477 nan 8.190 nan 0.000 0.447 174 E N -0.826 119.407 120.200 0.055 0.000 2.051 174 E HA -0.259 4.091 4.350 0.001 0.000 0.192 174 E C 2.168 178.855 176.600 0.145 0.000 0.991 174 E CA 1.794 58.264 56.400 0.116 0.000 0.799 174 E CB -0.328 29.431 29.700 0.098 0.000 0.748 174 E HN 0.706 nan 8.360 nan 0.000 0.449 175 Y N 1.294 121.601 120.300 0.011 0.000 2.128 175 Y HA -0.272 4.279 4.550 0.001 0.000 0.284 175 Y C 2.573 178.475 175.900 0.002 0.000 1.154 175 Y CA 1.975 60.076 58.100 0.002 0.000 1.149 175 Y CB -0.980 37.485 38.460 0.008 0.000 0.976 175 Y HN -0.017 nan 8.280 nan 0.000 0.505 176 T N -0.824 113.579 114.554 -0.252 0.000 2.929 176 T HA -0.262 4.088 4.350 0.001 0.000 0.271 176 T C 1.936 176.549 174.700 -0.144 0.000 1.085 176 T CA 1.871 63.750 62.100 -0.368 0.000 1.125 176 T CB -0.758 67.890 68.868 -0.365 0.000 0.874 176 T HN 0.783 nan 8.240 nan 0.000 0.494 177 H N -0.001 118.990 119.070 -0.131 0.000 2.276 177 H HA -0.063 4.494 4.556 0.001 0.000 0.301 177 H C 2.441 177.715 175.328 -0.090 0.000 1.073 177 H CA 1.420 57.417 56.048 -0.086 0.000 1.311 177 H CB -0.053 29.682 29.762 -0.044 0.000 1.379 177 H HN 0.492 nan 8.280 nan 0.000 0.494 178 Q N 0.643 120.367 119.800 -0.126 0.000 2.173 178 Q HA -0.188 4.153 4.340 0.001 0.000 0.208 178 Q C 2.573 178.508 176.000 -0.108 0.000 0.989 178 Q CA 1.737 57.436 55.803 -0.174 0.000 0.872 178 Q CB -0.159 28.547 28.738 -0.053 0.000 0.909 178 Q HN 0.527 nan 8.270 nan 0.000 0.420 179 L N -0.283 120.838 121.223 -0.170 0.000 2.265 179 L HA -0.057 4.283 4.340 0.001 0.000 0.215 179 L C 1.069 177.887 176.870 -0.087 0.000 1.117 179 L CA 0.722 55.457 54.840 -0.176 0.000 0.782 179 L CB -0.607 41.241 42.059 -0.352 0.000 0.914 179 L HN 0.536 nan 8.230 nan 0.000 0.441 180 G N 0.696 109.473 108.800 -0.038 0.000 2.370 180 G HA2 -0.209 3.751 3.960 0.001 0.000 0.268 180 G HA3 -0.209 3.751 3.960 0.001 0.000 0.268 180 G C -0.216 174.678 174.900 -0.010 0.000 1.122 180 G CA -0.358 44.749 45.100 0.012 0.000 0.963 180 G HN 0.437 nan 8.290 nan 0.000 0.500 181 Q N -0.658 119.127 119.800 -0.025 0.000 2.353 181 Q HA 0.448 4.788 4.340 0.001 0.000 0.268 181 Q C -2.646 173.344 176.000 -0.016 0.000 1.045 181 Q CA -2.260 53.528 55.803 -0.024 0.000 0.811 181 Q CB 2.318 31.018 28.738 -0.064 0.000 1.305 181 Q HN 0.090 nan 8.270 nan 0.000 0.447 182 P HA -0.163 nan 4.420 nan 0.000 0.245 182 P C 0.267 177.550 177.300 -0.028 0.000 1.123 182 P CA 0.581 63.655 63.100 -0.043 0.000 0.853 182 P CB 0.097 31.893 31.700 0.160 0.000 0.786 183 R N 2.310 122.624 120.500 -0.309 0.000 2.276 183 R HA -0.167 4.174 4.340 0.001 0.000 0.243 183 R C -0.012 176.230 176.300 -0.096 0.000 1.161 183 R CA 0.700 56.676 56.100 -0.208 0.000 1.007 183 R CB -0.627 29.336 30.300 -0.561 0.000 0.867 183 R HN 0.431 nan 8.270 nan 0.000 0.472 184 W N 3.157 124.536 121.300 0.131 0.000 2.591 184 W HA 0.026 4.686 4.660 0.001 0.000 0.330 184 W C 0.844 177.510 176.519 0.246 0.000 1.435 184 W CA -1.063 56.318 57.345 0.061 0.000 1.350 184 W CB 0.140 29.677 29.460 0.128 0.000 1.434 184 W HN 0.191 nan 8.180 nan 0.000 0.553 185 H N 1.362 120.631 119.070 0.332 0.000 3.327 185 H HA 0.351 4.907 4.556 0.001 0.000 0.139 185 H C 1.162 176.871 175.328 0.636 0.000 1.537 185 H CA -0.268 55.964 56.048 0.305 0.000 1.647 185 H CB 0.100 29.872 29.762 0.016 0.000 1.061 185 H HN 0.395 nan 8.280 nan 0.000 0.839 186 R N -0.442 120.494 120.500 0.727 0.000 2.394 186 R HA 0.319 4.659 4.340 0.001 0.000 0.220 186 R C 1.488 178.105 176.300 0.529 0.000 0.887 186 R CA 0.645 57.169 56.100 0.707 0.000 1.034 186 R CB 0.467 31.144 30.300 0.629 0.000 1.179 186 R HN 0.479 nan 8.270 nan 0.000 0.561 187 A N 1.385 124.486 122.820 0.468 0.000 1.901 187 A HA -0.075 4.246 4.320 0.001 0.000 0.210 187 A C 1.446 179.125 177.584 0.158 0.000 1.208 187 A CA 0.908 53.190 52.037 0.408 0.000 0.644 187 A CB -0.362 18.852 19.000 0.358 0.000 0.863 187 A HN 0.517 nan 8.150 nan 0.000 0.454 188 N N -0.725 118.027 118.700 0.085 0.000 2.571 188 N HA 0.062 4.802 4.740 0.001 0.000 0.189 188 N C 0.708 176.082 175.510 -0.227 0.000 1.154 188 N CA 0.806 53.782 53.050 -0.124 0.000 0.907 188 N CB -0.037 38.302 38.487 -0.247 0.000 0.977 188 N HN 0.310 nan 8.380 nan 0.000 0.449 189 L N -0.968 120.115 121.223 -0.232 0.000 2.781 189 L HA 0.273 4.614 4.340 0.001 0.000 0.245 189 L C 1.282 177.765 176.870 -0.645 0.000 1.118 189 L CA -0.065 54.467 54.840 -0.513 0.000 0.918 189 L CB -0.286 41.410 42.059 -0.605 0.000 1.246 189 L HN 0.248 nan 8.230 nan 0.000 0.526 190 Y N -1.294 118.830 120.300 -0.293 0.000 2.243 190 Y HA -0.057 4.494 4.550 0.001 0.000 0.293 190 Y C 2.168 178.023 175.900 -0.074 0.000 1.124 190 Y CA 1.097 59.109 58.100 -0.146 0.000 1.159 190 Y CB -0.807 37.725 38.460 0.122 0.000 1.008 190 Y HN 0.128 nan 8.280 nan 0.000 0.527 191 Q N 0.633 119.950 119.800 -0.804 0.000 2.030 191 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 191 Q C 2.535 178.382 176.000 -0.255 0.000 0.986 191 Q CA 2.112 57.608 55.803 -0.512 0.000 0.843 191 Q CB -0.307 28.062 28.738 -0.616 0.000 0.904 191 Q HN 0.431 nan 8.270 nan 0.000 0.420 192 R N -0.200 120.111 120.500 -0.314 0.000 2.083 192 R HA -0.200 4.141 4.340 0.001 0.000 0.237 192 R C 2.197 178.368 176.300 -0.215 0.000 1.137 192 R CA 1.609 57.547 56.100 -0.269 0.000 0.951 192 R CB -0.525 29.564 30.300 -0.352 0.000 0.851 192 R HN 0.280 nan 8.270 nan 0.000 0.434 193 F N 1.636 121.329 119.950 -0.429 0.000 2.045 193 F HA -0.295 4.232 4.527 0.001 0.000 0.297 193 F C 2.080 177.776 175.800 -0.174 0.000 1.114 193 F CA 1.966 59.745 58.000 -0.368 0.000 1.207 193 F CB -0.546 38.152 39.000 -0.502 0.000 0.964 193 F HN 0.001 nan 8.300 nan 0.000 0.486 194 I N 0.056 120.559 120.570 -0.110 0.000 2.142 194 I HA -0.311 3.859 4.170 0.001 0.000 0.240 194 I C 2.520 178.533 176.117 -0.173 0.000 1.078 194 I CA 1.933 63.142 61.300 -0.153 0.000 1.343 194 I CB -0.856 37.165 38.000 0.036 0.000 1.046 194 I HN 0.292 nan 8.210 nan 0.000 0.405 195 E N 0.670 120.788 120.200 -0.136 0.000 2.049 195 E HA -0.326 4.025 4.350 0.001 0.000 0.198 195 E C 2.164 178.677 176.600 -0.146 0.000 1.007 195 E CA 2.285 58.609 56.400 -0.125 0.000 0.809 195 E CB -0.125 29.502 29.700 -0.123 0.000 0.749 195 E HN 0.414 nan 8.360 nan 0.000 0.450 196 T N -0.559 113.882 114.554 -0.188 0.000 2.962 196 T HA -0.061 4.290 4.350 0.001 0.000 0.270 196 T C 1.805 176.376 174.700 -0.216 0.000 1.088 196 T CA 0.782 62.768 62.100 -0.190 0.000 1.127 196 T CB -0.050 68.697 68.868 -0.203 0.000 0.883 196 T HN 0.169 nan 8.240 nan 0.000 0.493 197 L N -0.172 120.885 121.223 -0.277 0.000 2.145 197 L HA 0.226 4.567 4.340 0.001 0.000 0.201 197 L C 2.767 179.598 176.870 -0.064 0.000 1.075 197 L CA 1.221 55.913 54.840 -0.247 0.000 0.773 197 L CB -0.400 41.413 42.059 -0.410 0.000 0.936 197 L HN 0.332 nan 8.230 nan 0.000 0.451 198 E N -0.067 120.076 120.200 -0.094 0.000 2.160 198 E HA -0.176 4.175 4.350 0.001 0.000 0.195 198 E C 1.549 178.129 176.600 -0.033 0.000 0.991 198 E CA 1.163 57.533 56.400 -0.049 0.000 0.810 198 E CB 0.225 29.889 29.700 -0.060 0.000 0.742 198 E HN 0.508 nan 8.360 nan 0.000 0.466 199 S N -0.480 115.189 115.700 -0.051 0.000 2.666 199 S HA 0.433 4.904 4.470 0.001 0.000 0.230 199 S C 1.017 175.601 174.600 -0.028 0.000 1.146 199 S CA 0.047 58.222 58.200 -0.042 0.000 1.162 199 S CB 0.166 63.330 63.200 -0.060 0.000 1.085 199 S HN 0.364 nan 8.310 nan 0.000 0.514 200 A N 0.774 123.567 122.820 -0.046 0.000 2.529 200 A HA -0.126 4.195 4.320 0.001 0.000 0.301 200 A C 0.633 178.220 177.584 0.005 0.000 1.477 200 A CA 1.071 53.080 52.037 -0.048 0.000 0.841 200 A CB -2.620 16.320 19.000 -0.100 0.000 1.011 200 A HN 0.884 nan 8.150 nan 0.000 0.414 201 T N 1.067 115.637 114.554 0.026 0.000 4.622 201 T HA 0.271 4.622 4.350 0.001 0.000 0.223 201 T C 1.526 176.259 174.700 0.055 0.000 0.939 201 T CA 0.864 63.001 62.100 0.061 0.000 1.070 201 T CB -0.718 68.155 68.868 0.009 0.000 1.391 201 T HN 1.027 nan 8.240 nan 0.000 1.063 202 T N -2.304 112.302 114.554 0.086 0.000 3.361 202 T HA 0.334 4.685 4.350 0.001 0.000 0.241 202 T C 0.777 175.527 174.700 0.082 0.000 0.998 202 T CA 0.427 62.554 62.100 0.046 0.000 1.215 202 T CB 0.301 69.169 68.868 0.000 0.000 1.196 202 T HN 0.672 nan 8.240 nan 0.000 0.376 203 C N 0.198 119.542 119.300 0.074 0.000 3.231 203 C HA 0.703 5.163 4.460 0.001 0.000 0.343 203 C C -3.050 171.901 174.990 -0.064 0.000 1.349 203 C CA -1.784 57.299 59.018 0.108 0.000 1.209 203 C CB 0.710 28.476 27.740 0.042 0.000 1.475 203 C HN 0.470 nan 8.230 nan 0.000 0.460 204 P HA 0.301 nan 4.420 nan 0.000 0.273 204 P C -1.963 175.284 177.300 -0.089 0.000 1.319 204 P CA -0.197 62.846 63.100 -0.094 0.000 0.885 204 P CB 0.294 32.027 31.700 0.054 0.000 1.015 205 P HA -0.147 nan 4.420 nan 0.000 0.219 205 P C 0.847 178.118 177.300 -0.049 0.000 1.149 205 P CA 1.958 65.002 63.100 -0.093 0.000 0.835 205 P CB -0.182 31.450 31.700 -0.113 0.000 0.778 206 G N -2.720 106.061 108.800 -0.033 0.000 2.500 206 G HA2 -0.003 3.957 3.960 0.001 0.000 0.227 206 G HA3 -0.003 3.957 3.960 0.001 0.000 0.227 206 G C -0.237 174.666 174.900 0.004 0.000 1.157 206 G CA -0.661 44.434 45.100 -0.010 0.000 0.945 206 G HN 0.152 nan 8.290 nan 0.000 0.518 207 L N -0.287 120.944 121.223 0.012 0.000 2.891 207 L HA 0.694 5.035 4.340 0.001 0.000 0.216 207 L C -1.117 175.784 176.870 0.052 0.000 1.209 207 L CA -2.102 52.759 54.840 0.034 0.000 0.957 207 L CB -0.247 41.840 42.059 0.047 0.000 1.876 207 L HN 0.059 nan 8.230 nan 0.000 0.532 208 P HA 0.208 nan 4.420 nan 0.000 0.276 208 P C -0.204 177.133 177.300 0.062 0.000 1.252 208 P CA -0.381 62.768 63.100 0.081 0.000 0.802 208 P CB 1.464 33.237 31.700 0.122 0.000 1.035 209 S N 0.949 116.678 115.700 0.049 0.000 2.336 209 S HA -0.081 4.389 4.470 0.001 0.000 0.214 209 S C 0.973 175.580 174.600 0.012 0.000 1.032 209 S CA 0.936 59.157 58.200 0.034 0.000 1.001 209 S CB -0.374 62.849 63.200 0.038 0.000 0.953 209 S HN 0.653 nan 8.310 nan 0.000 0.430 210 R N -0.169 120.333 120.500 0.003 0.000 2.744 210 R HA 0.790 5.130 4.340 0.001 0.000 0.279 210 R C -1.867 174.368 176.300 -0.107 0.000 0.977 210 R CA -0.798 55.255 56.100 -0.078 0.000 0.906 210 R CB 1.592 31.862 30.300 -0.050 0.000 1.197 210 R HN 0.041 nan 8.270 nan 0.000 0.463 211 V N 2.359 122.131 119.914 -0.237 0.000 2.789 211 V HA 0.561 4.682 4.120 0.001 0.000 0.311 211 V C -1.155 174.757 176.094 -0.302 0.000 1.073 211 V CA -0.678 61.505 62.300 -0.196 0.000 0.921 211 V CB 1.729 33.446 31.823 -0.176 0.000 1.009 211 V HN 0.610 nan 8.190 nan 0.000 0.426 212 F N 3.542 123.481 119.950 -0.018 0.000 2.523 212 F HA 0.708 5.236 4.527 0.001 0.000 0.329 212 F C 0.117 175.904 175.800 -0.021 0.000 1.061 212 F CA -0.879 57.143 58.000 0.037 0.000 0.967 212 F CB 1.785 40.806 39.000 0.036 0.000 1.218 212 F HN 0.173 nan 8.300 nan 0.000 0.480 213 I N 2.391 123.113 120.570 0.254 0.000 2.542 213 I HA 0.224 4.394 4.170 0.001 0.000 0.278 213 I C -1.358 174.888 176.117 0.216 0.000 1.069 213 I CA -0.203 61.197 61.300 0.166 0.000 1.100 213 I CB 1.426 39.508 38.000 0.136 0.000 1.204 213 I HN 0.487 nan 8.210 nan 0.000 0.470 214 C N 4.250 123.667 119.300 0.194 0.000 2.411 214 C HA 0.705 5.166 4.460 0.001 0.000 0.330 214 C C 1.488 176.579 174.990 0.168 0.000 1.224 214 C CA 0.622 59.754 59.018 0.189 0.000 1.770 214 C CB 0.605 28.455 27.740 0.183 0.000 2.297 214 C HN 1.080 nan 8.230 nan 0.000 0.507 215 G N 4.783 113.678 108.800 0.158 0.000 2.321 215 G HA2 -0.223 3.738 3.960 0.001 0.000 0.287 215 G HA3 -0.223 3.738 3.960 0.001 0.000 0.287 215 G C -0.111 174.863 174.900 0.123 0.000 1.018 215 G CA 0.611 45.788 45.100 0.127 0.000 0.855 215 G HN 0.830 nan 8.290 nan 0.000 0.507 216 I N 1.394 122.042 120.570 0.130 0.000 2.428 216 I HA 0.202 4.372 4.170 0.001 0.000 0.279 216 I C 1.221 177.287 176.117 -0.085 0.000 1.040 216 I CA -0.135 61.183 61.300 0.031 0.000 1.171 216 I CB 1.428 39.434 38.000 0.010 0.000 1.312 216 I HN 0.190 nan 8.210 nan 0.000 0.470 217 S N 3.696 119.373 115.700 -0.038 0.000 2.851 217 S HA 0.500 4.971 4.470 0.001 0.000 0.227 217 S C 0.468 174.655 174.600 -0.690 0.000 0.958 217 S CA -0.294 57.846 58.200 -0.099 0.000 0.990 217 S CB -0.184 63.194 63.200 0.297 0.000 0.790 217 S HN 0.689 nan 8.310 nan 0.000 0.509 218 A N 0.567 122.799 122.820 -0.981 0.000 2.573 218 A HA 0.693 5.014 4.320 0.001 0.000 0.299 218 A C -1.310 175.951 177.584 -0.538 0.000 1.060 218 A CA -0.803 50.697 52.037 -0.895 0.000 0.736 218 A CB 0.767 19.554 19.000 -0.355 0.000 1.280 218 A HN 0.370 nan 8.150 nan 0.000 0.401 219 L N 1.480 122.563 121.223 -0.234 0.000 2.465 219 L HA 0.556 4.897 4.340 0.001 0.000 0.257 219 L C -2.712 174.224 176.870 0.109 0.000 0.988 219 L CA -2.060 52.827 54.840 0.078 0.000 0.827 219 L CB 2.997 45.211 42.059 0.260 0.000 1.397 219 L HN 0.465 nan 8.230 nan 0.000 0.410 220 P HA 0.213 nan 4.420 nan 0.000 0.275 220 P C -2.156 175.052 177.300 -0.153 0.000 1.227 220 P CA -1.204 61.765 63.100 -0.220 0.000 0.781 220 P CB 0.512 31.758 31.700 -0.756 0.000 0.906 221 P HA -0.214 nan 4.420 nan 0.000 0.218 221 P C 1.202 178.412 177.300 -0.150 0.000 1.154 221 P CA 1.383 64.415 63.100 -0.113 0.000 0.872 221 P CB -0.174 31.447 31.700 -0.131 0.000 0.790 222 V N -2.397 117.337 119.914 -0.300 0.000 2.453 222 V HA -0.236 3.885 4.120 0.001 0.000 0.247 222 V C 2.211 178.281 176.094 -0.040 0.000 1.048 222 V CA 1.583 63.681 62.300 -0.338 0.000 1.049 222 V CB -1.641 29.798 31.823 -0.640 0.000 0.672 222 V HN 0.188 nan 8.190 nan 0.000 0.457 223 Y N -0.235 120.003 120.300 -0.102 0.000 2.242 223 Y HA -0.113 4.438 4.550 0.001 0.000 0.291 223 Y C 2.469 178.403 175.900 0.057 0.000 1.137 223 Y CA 0.657 58.755 58.100 -0.003 0.000 1.181 223 Y CB -0.022 38.435 38.460 -0.004 0.000 0.989 223 Y HN 0.209 nan 8.280 nan 0.000 0.527 224 L N -0.080 121.259 121.223 0.194 0.000 1.994 224 L HA -0.283 4.058 4.340 0.001 0.000 0.208 224 L C 2.497 179.439 176.870 0.120 0.000 1.071 224 L CA 1.439 56.362 54.840 0.139 0.000 0.745 224 L CB -0.631 41.475 42.059 0.078 0.000 0.892 224 L HN 0.307 nan 8.230 nan 0.000 0.431 225 Q N -0.308 119.544 119.800 0.086 0.000 2.077 225 Q HA -0.258 4.083 4.340 0.001 0.000 0.206 225 Q C 2.374 178.474 176.000 0.166 0.000 0.989 225 Q CA 1.733 57.589 55.803 0.088 0.000 0.853 225 Q CB -0.408 28.362 28.738 0.052 0.000 0.907 225 Q HN 0.579 nan 8.270 nan 0.000 0.418 226 A N 1.172 124.141 122.820 0.249 0.000 1.917 226 A HA -0.195 4.126 4.320 0.001 0.000 0.219 226 A C 2.124 179.950 177.584 0.403 0.000 1.182 226 A CA 1.390 53.685 52.037 0.431 0.000 0.633 226 A CB -0.745 18.530 19.000 0.458 0.000 0.819 226 A HN 0.297 nan 8.150 nan 0.000 0.448 227 L N -1.188 120.209 121.223 0.289 0.000 2.109 227 L HA -0.205 4.136 4.340 0.001 0.000 0.207 227 L C 2.857 179.823 176.870 0.161 0.000 1.086 227 L CA 1.596 56.585 54.840 0.248 0.000 0.760 227 L CB -0.526 41.650 42.059 0.196 0.000 0.910 227 L HN 0.624 nan 8.230 nan 0.000 0.437 228 Q N 0.415 120.287 119.800 0.120 0.000 2.002 228 Q HA -0.273 4.067 4.340 0.001 0.000 0.204 228 Q C 2.299 178.324 176.000 0.042 0.000 0.988 228 Q CA 2.309 58.148 55.803 0.061 0.000 0.843 228 Q CB -0.170 28.594 28.738 0.043 0.000 0.908 228 Q HN 0.482 nan 8.270 nan 0.000 0.420 229 A N 0.837 123.686 122.820 0.048 0.000 1.940 229 A HA -0.185 4.135 4.320 0.001 0.000 0.219 229 A C 2.093 179.675 177.584 -0.003 0.000 1.176 229 A CA 1.345 53.377 52.037 -0.009 0.000 0.631 229 A CB -0.842 18.121 19.000 -0.061 0.000 0.814 229 A HN 0.564 nan 8.150 nan 0.000 0.446 230 L N -0.560 120.697 121.223 0.056 0.000 2.141 230 L HA -0.069 4.272 4.340 0.001 0.000 0.209 230 L C 1.987 178.913 176.870 0.093 0.000 1.094 230 L CA 0.883 55.786 54.840 0.105 0.000 0.763 230 L CB -0.371 41.839 42.059 0.252 0.000 0.908 230 L HN 0.472 nan 8.230 nan 0.000 0.437 231 G N -0.347 108.484 108.800 0.052 0.000 3.397 231 G HA2 -0.090 3.870 3.960 0.001 0.000 0.248 231 G HA3 -0.090 3.870 3.960 0.001 0.000 0.248 231 G C 0.949 175.810 174.900 -0.066 0.000 1.284 231 G CA 0.034 45.131 45.100 -0.004 0.000 1.570 231 G HN 0.326 nan 8.290 nan 0.000 0.587 232 K N -0.961 119.374 120.400 -0.108 0.000 2.521 232 K HA 0.143 4.464 4.320 0.001 0.000 0.213 232 K C 0.639 176.880 176.600 -0.599 0.000 1.223 232 K CA -0.216 55.877 56.287 -0.324 0.000 1.013 232 K CB 0.475 32.753 32.500 -0.371 0.000 1.017 232 K HN 0.351 nan 8.250 nan 0.000 0.591 233 H N -1.110 117.935 119.070 -0.043 0.000 3.876 233 H HA 0.235 4.792 4.556 0.001 0.000 0.262 233 H C -0.539 174.774 175.328 -0.026 0.000 1.158 233 H CA -0.197 55.829 56.048 -0.037 0.000 1.170 233 H CB 1.161 30.897 29.762 -0.044 0.000 1.528 233 H HN -0.009 nan 8.280 nan 0.000 0.689 234 I N 1.712 122.324 120.570 0.071 0.000 2.785 234 I HA 0.156 4.327 4.170 0.001 0.000 0.302 234 I C -0.250 175.837 176.117 -0.050 0.000 1.069 234 I CA -0.803 60.516 61.300 0.031 0.000 1.045 234 I CB 2.512 40.558 38.000 0.077 0.000 1.236 234 I HN -0.135 nan 8.210 nan 0.000 0.429 235 E N 5.818 125.952 120.200 -0.110 0.000 2.044 235 E HA 0.385 4.736 4.350 0.001 0.000 0.282 235 E C -0.751 175.588 176.600 -0.434 0.000 1.031 235 E CA -0.073 56.166 56.400 -0.268 0.000 0.824 235 E CB 0.877 30.425 29.700 -0.254 0.000 1.076 235 E HN 0.345 nan 8.360 nan 0.000 0.395 236 I N 4.537 124.882 120.570 -0.375 0.000 2.330 236 I HA 0.106 4.276 4.170 0.001 0.000 0.286 236 I C 0.075 176.019 176.117 -0.288 0.000 1.025 236 I CA -0.570 60.554 61.300 -0.294 0.000 1.197 236 I CB 0.541 38.489 38.000 -0.087 0.000 1.358 236 I HN 0.214 nan 8.210 nan 0.000 0.467 237 H N 7.614 126.649 119.070 -0.059 0.000 2.818 237 H HA 0.251 4.808 4.556 0.001 0.000 0.269 237 H C -0.311 175.150 175.328 0.221 0.000 1.277 237 H CA -0.445 55.689 56.048 0.143 0.000 1.290 237 H CB 1.340 31.007 29.762 -0.157 0.000 1.479 237 H HN 0.490 nan 8.280 nan 0.000 0.507 238 L N 4.846 126.309 121.223 0.401 0.000 2.282 238 L HA 0.154 4.494 4.340 0.001 0.000 0.287 238 L C -0.858 176.287 176.870 0.459 0.000 1.075 238 L CA -0.883 54.164 54.840 0.346 0.000 0.839 238 L CB 0.110 42.322 42.059 0.254 0.000 1.219 238 L HN 0.294 nan 8.230 nan 0.000 0.434 239 L N 6.820 128.263 121.223 0.367 0.000 2.334 239 L HA 0.237 4.578 4.340 0.001 0.000 0.286 239 L C -0.311 176.757 176.870 0.331 0.000 1.108 239 L CA 0.303 55.328 54.840 0.308 0.000 0.875 239 L CB -0.019 42.142 42.059 0.170 0.000 1.246 239 L HN 0.414 nan 8.230 nan 0.000 0.439 240 F N 2.689 122.741 119.950 0.169 0.000 2.405 240 F HA 0.417 4.944 4.527 0.001 0.000 0.355 240 F C 0.727 176.574 175.800 0.080 0.000 1.121 240 F CA -1.149 56.933 58.000 0.136 0.000 1.112 240 F CB 1.054 40.098 39.000 0.074 0.000 1.126 240 F HN 0.444 nan 8.300 nan 0.000 0.481 241 T N 5.346 119.739 114.554 -0.269 0.000 2.739 241 T HA 0.237 4.588 4.350 0.001 0.000 0.298 241 T C -0.370 173.896 174.700 -0.722 0.000 0.929 241 T CA -0.646 61.217 62.100 -0.395 0.000 1.014 241 T CB -0.372 68.419 68.868 -0.128 0.000 0.914 241 T HN 0.645 nan 8.240 nan 0.000 0.509 242 N N 5.227 123.470 118.700 -0.762 0.000 2.421 242 N HA 0.350 5.091 4.740 0.001 0.000 0.285 242 N C -1.499 174.065 175.510 0.089 0.000 1.027 242 N CA -2.346 50.492 53.050 -0.354 0.000 0.918 242 N CB 2.278 40.754 38.487 -0.019 0.000 1.152 242 N HN 0.414 nan 8.380 nan 0.000 0.485 243 P HA 0.037 nan 4.420 nan 0.000 0.233 243 P C 0.300 177.532 177.300 -0.113 0.000 1.167 243 P CA 0.269 63.346 63.100 -0.038 0.000 0.770 243 P CB 0.406 32.016 31.700 -0.150 0.000 0.837 244 C N 1.091 120.352 119.300 -0.065 0.000 2.698 244 C HA 0.440 4.900 4.460 0.001 0.000 0.309 244 C C 2.208 177.044 174.990 -0.256 0.000 1.186 244 C CA -0.774 58.105 59.018 -0.232 0.000 1.474 244 C CB 1.420 28.840 27.740 -0.532 0.000 2.020 244 C HN 0.222 nan 8.230 nan 0.000 0.474 245 R N 2.885 122.910 120.500 -0.791 0.000 2.093 245 R HA 0.035 4.376 4.340 0.001 0.000 0.224 245 R C 0.167 176.126 176.300 -0.568 0.000 1.101 245 R CA 0.796 55.942 56.100 -1.589 0.000 0.979 245 R CB -0.445 29.030 30.300 -1.376 0.000 0.877 245 R HN 0.777 nan 8.270 nan 0.000 0.441 246 Y N 0.083 120.267 120.300 -0.193 0.000 2.240 246 Y HA 0.071 4.622 4.550 0.001 0.000 0.341 246 Y C -0.011 176.038 175.900 0.249 0.000 1.326 246 Y CA -1.447 56.666 58.100 0.023 0.000 1.569 246 Y CB 0.223 38.706 38.460 0.039 0.000 1.426 246 Y HN -0.081 nan 8.280 nan 0.000 0.587 247 Y N 2.592 123.087 120.300 0.326 0.000 2.365 247 Y HA 0.043 4.594 4.550 0.001 0.000 0.340 247 Y C 0.058 176.157 175.900 0.332 0.000 1.016 247 Y CA -1.226 57.032 58.100 0.265 0.000 1.196 247 Y CB 0.350 38.868 38.460 0.096 0.000 1.167 247 Y HN 0.598 nan 8.280 nan 0.000 0.509 248 W N 4.799 125.931 121.300 -0.281 0.000 3.005 248 W HA 0.509 5.170 4.660 0.001 0.000 0.374 248 W C 0.073 176.440 176.519 -0.254 0.000 1.076 248 W CA -0.332 56.923 57.345 -0.150 0.000 1.794 248 W CB -0.856 28.586 29.460 -0.030 0.000 1.113 248 W HN 0.710 nan 8.180 nan 0.000 0.584 249 G N 1.633 109.811 108.800 -1.038 0.000 2.563 249 G HA2 0.266 4.227 3.960 0.001 0.000 0.283 249 G HA3 0.266 4.227 3.960 0.001 0.000 0.283 249 G C -0.346 174.616 174.900 0.103 0.000 1.309 249 G CA -0.325 44.432 45.100 -0.571 0.000 1.022 249 G HN -0.133 nan 8.290 nan 0.000 0.501 250 D N -1.227 119.321 120.400 0.247 0.000 2.466 250 D HA 0.447 5.087 4.640 0.001 0.000 0.262 250 D C -0.183 176.427 176.300 0.515 0.000 1.177 250 D CA -0.113 54.071 54.000 0.306 0.000 1.035 250 D CB 1.761 42.637 40.800 0.126 0.000 1.105 250 D HN -0.012 nan 8.370 nan 0.000 0.551 251 I N 0.566 121.363 120.570 0.378 0.000 2.730 251 I HA 0.132 4.303 4.170 0.001 0.000 0.298 251 I C 0.755 177.106 176.117 0.390 0.000 1.089 251 I CA -0.520 61.014 61.300 0.390 0.000 1.041 251 I CB 2.263 40.370 38.000 0.179 0.000 1.235 251 I HN 0.228 nan 8.210 nan 0.000 0.423 252 K N 3.035 123.743 120.400 0.512 0.000 2.293 252 K HA 0.109 4.430 4.320 0.001 0.000 0.198 252 K C -0.282 176.446 176.600 0.213 0.000 1.066 252 K CA -0.013 56.459 56.287 0.307 0.000 1.070 252 K CB 0.014 32.598 32.500 0.140 0.000 1.374 252 K HN 0.562 nan 8.250 nan 0.000 0.461 253 D N 1.689 122.208 120.400 0.198 0.000 2.302 253 D HA 0.092 4.732 4.640 0.001 0.000 0.248 253 D C -2.154 174.226 176.300 0.133 0.000 1.094 253 D CA -1.480 52.599 54.000 0.133 0.000 0.897 253 D CB 1.052 41.911 40.800 0.099 0.000 1.200 253 D HN 0.040 nan 8.370 nan 0.000 0.429 254 P HA -0.023 nan 4.420 nan 0.000 0.244 254 P C 0.532 177.860 177.300 0.046 0.000 1.211 254 P CA 0.548 63.684 63.100 0.060 0.000 0.760 254 P CB 0.240 31.970 31.700 0.050 0.000 0.961 255 A N -1.658 121.204 122.820 0.069 0.000 2.014 255 A HA -0.076 4.245 4.320 0.001 0.000 0.210 255 A C 1.865 179.503 177.584 0.089 0.000 1.188 255 A CA 0.377 52.449 52.037 0.060 0.000 0.731 255 A CB -1.217 17.817 19.000 0.056 0.000 0.858 255 A HN 0.133 nan 8.150 nan 0.000 0.464 256 Y N 1.803 122.085 120.300 -0.030 0.000 2.439 256 Y HA -0.045 4.506 4.550 0.001 0.000 0.292 256 Y C 1.725 177.576 175.900 -0.082 0.000 1.130 256 Y CA 0.919 58.985 58.100 -0.057 0.000 1.254 256 Y CB -0.384 38.044 38.460 -0.054 0.000 1.000 256 Y HN 0.297 nan 8.280 nan 0.000 0.554 257 L N 0.583 121.711 121.223 -0.159 0.000 2.017 257 L HA 0.017 4.358 4.340 0.001 0.000 0.208 257 L C 2.343 179.072 176.870 -0.236 0.000 1.073 257 L CA 2.298 56.981 54.840 -0.261 0.000 0.745 257 L CB -1.814 40.175 42.059 -0.117 0.000 0.894 257 L HN 0.027 nan 8.230 nan 0.000 0.432 258 A N -0.518 122.225 122.820 -0.128 0.000 2.121 258 A HA -0.066 4.255 4.320 0.001 0.000 0.218 258 A C 2.177 179.694 177.584 -0.113 0.000 1.154 258 A CA 1.222 53.202 52.037 -0.096 0.000 0.679 258 A CB -0.619 18.355 19.000 -0.044 0.000 0.795 258 A HN 0.584 nan 8.150 nan 0.000 0.458 259 K N -0.629 119.689 120.400 -0.136 0.000 2.459 259 K HA 0.252 4.573 4.320 0.001 0.000 0.193 259 K C 1.015 177.496 176.600 -0.198 0.000 1.030 259 K CA 0.235 56.455 56.287 -0.111 0.000 1.026 259 K CB 0.031 32.521 32.500 -0.016 0.000 0.809 259 K HN 0.439 nan 8.250 nan 0.000 0.504 260 L N 0.421 121.451 121.223 -0.321 0.000 2.556 260 L HA 0.111 4.452 4.340 0.001 0.000 0.226 260 L C 1.203 177.914 176.870 -0.264 0.000 1.089 260 L CA 0.156 54.762 54.840 -0.389 0.000 0.864 260 L CB 0.185 41.848 42.059 -0.659 0.000 1.067 260 L HN 0.118 nan 8.230 nan 0.000 0.477 261 L N 0.476 121.580 121.223 -0.198 0.000 2.821 261 L HA -0.022 4.319 4.340 0.001 0.000 0.254 261 L C 1.634 178.440 176.870 -0.105 0.000 1.151 261 L CA -0.108 54.652 54.840 -0.134 0.000 0.937 261 L CB -1.618 40.386 42.059 -0.093 0.000 1.141 261 L HN 0.383 nan 8.230 nan 0.000 0.425 262 T N -1.637 112.850 114.554 -0.112 0.000 4.604 262 T HA 0.291 4.641 4.350 0.001 0.000 0.390 262 T C 0.563 175.222 174.700 -0.068 0.000 1.141 262 T CA -0.272 61.779 62.100 -0.082 0.000 0.919 262 T CB 0.616 69.437 68.868 -0.079 0.000 1.732 262 T HN 0.257 nan 8.240 nan 0.000 0.490 263 R N -0.081 120.387 120.500 -0.053 0.000 2.629 263 R HA 0.340 4.680 4.340 0.001 0.000 0.266 263 R C -1.319 174.965 176.300 -0.027 0.000 1.051 263 R CA -0.769 55.310 56.100 -0.035 0.000 0.895 263 R CB 2.095 32.378 30.300 -0.028 0.000 1.246 263 R HN 0.694 nan 8.270 nan 0.000 0.459 264 Q N 2.302 122.096 119.800 -0.010 0.000 2.282 264 Q HA 0.403 4.744 4.340 0.001 0.000 0.260 264 Q C -0.577 175.435 176.000 0.020 0.000 0.964 264 Q CA -0.866 54.933 55.803 -0.006 0.000 0.880 264 Q CB 2.735 31.471 28.738 -0.003 0.000 1.286 264 Q HN 0.335 nan 8.270 nan 0.000 0.445 265 R N 1.902 122.410 120.500 0.013 0.000 2.457 265 R HA 0.336 4.677 4.340 0.001 0.000 0.284 265 R C -0.478 175.859 176.300 0.062 0.000 1.024 265 R CA -0.598 55.522 56.100 0.033 0.000 1.025 265 R CB 1.129 31.435 30.300 0.011 0.000 1.063 265 R HN 0.600 nan 8.270 nan 0.000 0.493 266 R N 1.648 122.201 120.500 0.089 0.000 2.643 266 R HA -0.056 4.285 4.340 0.001 0.000 0.270 266 R C 1.352 177.744 176.300 0.153 0.000 1.061 266 R CA -0.093 56.066 56.100 0.099 0.000 1.107 266 R CB 0.452 30.767 30.300 0.024 0.000 0.999 266 R HN 0.759 nan 8.270 nan 0.000 0.460 267 H N 1.484 120.635 119.070 0.136 0.000 2.460 267 H HA -0.096 4.461 4.556 0.001 0.000 0.297 267 H C 0.339 175.796 175.328 0.216 0.000 1.103 267 H CA 2.418 58.581 56.048 0.190 0.000 1.292 267 H CB 0.646 30.563 29.762 0.259 0.000 1.376 267 H HN 0.525 nan 8.280 nan 0.000 0.531 268 S N -1.186 114.739 115.700 0.374 0.000 2.613 268 S HA 0.183 4.654 4.470 0.001 0.000 0.235 268 S C 0.948 175.858 174.600 0.516 0.000 1.073 268 S CA -0.458 58.016 58.200 0.456 0.000 0.899 268 S CB 0.421 64.010 63.200 0.650 0.000 0.818 268 S HN 0.207 nan 8.310 nan 0.000 0.484 269 F N 1.949 121.945 119.950 0.076 0.000 2.637 269 F HA 0.496 5.024 4.527 0.001 0.000 0.187 269 F C 0.444 176.263 175.800 0.031 0.000 1.055 269 F CA -0.873 57.158 58.000 0.052 0.000 0.977 269 F CB 0.302 39.337 39.000 0.060 0.000 2.212 269 F HN -0.118 nan 8.300 nan 0.000 0.645 270 E N 0.124 120.483 120.200 0.265 0.000 2.352 270 E HA 0.155 4.506 4.350 0.001 0.000 0.280 270 E C -1.952 174.703 176.600 0.092 0.000 0.930 270 E CA -0.894 55.583 56.400 0.129 0.000 0.765 270 E CB 2.190 31.941 29.700 0.083 0.000 1.219 270 E HN 0.318 nan 8.360 nan 0.000 0.434 271 D N 1.353 121.787 120.400 0.056 0.000 5.025 271 D HA -0.206 4.434 4.640 0.001 0.000 0.138 271 D C -0.375 175.949 176.300 0.039 0.000 1.367 271 D CA 1.454 55.475 54.000 0.035 0.000 1.098 271 D CB 0.291 41.099 40.800 0.013 0.000 0.789 271 D HN 0.455 nan 8.370 nan 0.000 0.401 272 R N 0.642 121.162 120.500 0.033 0.000 2.829 272 R HA 0.743 5.084 4.340 0.001 0.000 0.267 272 R C -0.669 175.648 176.300 0.029 0.000 1.051 272 R CA -0.915 55.209 56.100 0.040 0.000 0.927 272 R CB 1.811 32.153 30.300 0.069 0.000 1.292 272 R HN 0.381 nan 8.270 nan 0.000 0.445 273 E N 0.384 120.610 120.200 0.043 0.000 2.348 273 E HA 0.116 4.467 4.350 0.001 0.000 0.273 273 E C -1.530 175.071 176.600 0.002 0.000 1.244 273 E CA -0.514 55.903 56.400 0.029 0.000 0.943 273 E CB 0.288 29.976 29.700 -0.021 0.000 1.332 273 E HN 0.504 nan 8.360 nan 0.000 0.397 274 L N 0.549 121.743 121.223 -0.048 0.000 2.529 274 L HA 0.354 4.695 4.340 0.001 0.000 0.287 274 L C -1.602 175.053 176.870 -0.359 0.000 1.241 274 L CA -0.889 53.782 54.840 -0.282 0.000 0.857 274 L CB -0.654 41.312 42.059 -0.155 0.000 1.113 274 L HN 0.230 nan 8.230 nan 0.000 0.504 275 P HA 0.180 nan 4.420 nan 0.000 0.276 275 P C 0.164 177.354 177.300 -0.183 0.000 1.252 275 P CA -0.535 62.348 63.100 -0.362 0.000 0.802 275 P CB 1.488 32.917 31.700 -0.452 0.000 1.035 276 L N -0.317 120.859 121.223 -0.079 0.000 3.600 276 L HA -0.288 4.053 4.340 0.001 0.000 0.424 276 L C 0.784 177.725 176.870 0.119 0.000 1.260 276 L CA 0.025 54.868 54.840 0.004 0.000 0.883 276 L CB -1.315 40.725 42.059 -0.032 0.000 1.895 276 L HN 0.416 nan 8.230 nan 0.000 0.827 277 F N -0.497 119.404 119.950 -0.081 0.000 2.784 277 F HA -0.517 4.010 4.527 0.001 0.000 0.231 277 F C 1.942 177.699 175.800 -0.072 0.000 1.467 277 F CA 2.903 60.862 58.000 -0.067 0.000 1.913 277 F CB -0.773 38.197 39.000 -0.051 0.000 0.488 277 F HN 0.332 nan 8.300 nan 0.000 0.282 278 R N -0.051 120.570 120.500 0.202 0.000 2.055 278 R HA -0.018 4.323 4.340 0.001 0.000 0.221 278 R C 1.689 177.942 176.300 -0.078 0.000 1.154 278 R CA 0.729 56.801 56.100 -0.047 0.000 0.975 278 R CB -0.695 29.402 30.300 -0.340 0.000 0.869 278 R HN 0.583 nan 8.270 nan 0.000 0.437 279 D N 1.125 121.448 120.400 -0.128 0.000 3.111 279 D HA -0.295 4.345 4.640 0.001 0.000 0.190 279 D C 1.849 178.097 176.300 -0.087 0.000 1.141 279 D CA 2.409 56.347 54.000 -0.103 0.000 0.888 279 D CB -0.342 40.409 40.800 -0.082 0.000 0.905 279 D HN 0.284 nan 8.370 nan 0.000 0.497 280 S N 1.030 116.692 115.700 -0.064 0.000 2.365 280 S HA -0.238 4.233 4.470 0.001 0.000 0.221 280 S C 1.884 176.440 174.600 -0.073 0.000 1.037 280 S CA 1.431 59.589 58.200 -0.071 0.000 1.060 280 S CB -0.763 62.395 63.200 -0.070 0.000 0.974 280 S HN 0.402 nan 8.310 nan 0.000 0.427 281 E N 1.798 121.964 120.200 -0.056 0.000 2.097 281 E HA -0.164 4.187 4.350 0.001 0.000 0.196 281 E C 1.943 178.504 176.600 -0.064 0.000 1.000 281 E CA 1.089 57.460 56.400 -0.050 0.000 0.804 281 E CB -0.280 29.394 29.700 -0.043 0.000 0.740 281 E HN 0.426 nan 8.360 nan 0.000 0.454 282 N N 0.181 118.833 118.700 -0.079 0.000 2.050 282 N HA -0.128 4.613 4.740 0.001 0.000 0.178 282 N C 1.287 176.685 175.510 -0.188 0.000 1.104 282 N CA 1.092 54.087 53.050 -0.092 0.000 0.943 282 N CB -0.649 37.785 38.487 -0.088 0.000 1.030 282 N HN 0.142 nan 8.380 nan 0.000 0.437 283 A N -0.855 121.845 122.820 -0.200 0.000 5.222 283 A HA -0.290 4.031 4.320 0.001 0.000 0.373 283 A C 1.583 178.699 177.584 -0.780 0.000 1.531 283 A CA 3.293 55.142 52.037 -0.312 0.000 0.751 283 A CB -1.740 17.125 19.000 -0.225 0.000 1.543 283 A HN 0.727 nan 8.150 nan 0.000 0.434 284 G N -2.142 106.180 108.800 -0.797 0.000 2.727 284 G HA2 0.387 4.348 3.960 0.001 0.000 0.207 284 G HA3 0.387 4.348 3.960 0.001 0.000 0.207 284 G C 0.400 174.978 174.900 -0.537 0.000 1.060 284 G CA 0.680 44.985 45.100 -1.324 0.000 0.814 284 G HN 0.808 nan 8.290 nan 0.000 0.576 285 Q N 1.032 120.669 119.800 -0.273 0.000 2.256 285 Q HA 0.383 4.724 4.340 0.001 0.000 0.281 285 Q C -0.002 175.985 176.000 -0.022 0.000 1.162 285 Q CA 0.240 55.997 55.803 -0.076 0.000 0.943 285 Q CB 0.057 28.773 28.738 -0.037 0.000 1.195 285 Q HN 0.373 nan 8.270 nan 0.000 0.403 286 L N 1.830 123.093 121.223 0.067 0.000 3.471 286 L HA -0.211 4.129 4.340 0.001 0.000 0.454 286 L C 0.023 177.000 176.870 0.179 0.000 1.286 286 L CA -0.132 54.783 54.840 0.124 0.000 0.872 286 L CB -2.179 39.941 42.059 0.101 0.000 1.842 286 L HN 0.638 nan 8.230 nan 0.000 0.801 287 F N 0.634 120.613 119.950 0.050 0.000 2.313 287 F HA 0.026 4.553 4.527 0.001 0.000 0.288 287 F C 2.039 177.860 175.800 0.035 0.000 1.274 287 F CA 0.728 58.750 58.000 0.036 0.000 1.241 287 F CB 0.298 39.317 39.000 0.032 0.000 1.409 287 F HN 0.447 nan 8.300 nan 0.000 0.511 288 N N 0.358 119.147 118.700 0.149 0.000 1.122 288 N HA -0.425 4.316 4.740 0.001 0.000 0.145 288 N C 1.053 176.600 175.510 0.062 0.000 0.360 288 N CA 3.339 56.379 53.050 -0.016 0.000 1.017 288 N CB -1.054 37.382 38.487 -0.085 0.000 1.540 288 N HN 0.560 nan 8.380 nan 0.000 0.447 289 S N -1.659 114.074 115.700 0.055 0.000 2.741 289 S HA 0.209 4.679 4.470 0.001 0.000 0.245 289 S C 0.521 175.171 174.600 0.082 0.000 1.083 289 S CA 0.479 58.716 58.200 0.063 0.000 0.873 289 S CB -0.378 62.844 63.200 0.037 0.000 0.814 289 S HN 0.702 nan 8.310 nan 0.000 0.476 290 D N 2.480 122.928 120.400 0.079 0.000 1.774 290 D HA 0.382 5.022 4.640 0.001 0.000 0.240 290 D C 1.121 177.488 176.300 0.112 0.000 1.148 290 D CA 0.642 54.692 54.000 0.084 0.000 0.934 290 D CB -0.741 40.108 40.800 0.081 0.000 1.519 290 D HN 0.488 nan 8.370 nan 0.000 0.520 291 G N -1.792 107.076 108.800 0.113 0.000 3.039 291 G HA2 0.278 4.239 3.960 0.001 0.000 0.159 291 G HA3 0.278 4.239 3.960 0.001 0.000 0.159 291 G C -0.898 174.091 174.900 0.148 0.000 1.284 291 G CA -0.755 44.426 45.100 0.135 0.000 0.996 291 G HN 0.507 nan 8.290 nan 0.000 0.592 292 E N 0.419 120.709 120.200 0.149 0.000 1.833 292 E HA 0.050 4.400 4.350 0.001 0.000 0.258 292 E C 1.302 177.976 176.600 0.123 0.000 1.257 292 E CA -0.129 56.354 56.400 0.138 0.000 1.003 292 E CB 0.556 30.351 29.700 0.157 0.000 1.068 292 E HN 0.441 nan 8.360 nan 0.000 0.422 293 Q N 2.733 122.615 119.800 0.137 0.000 2.522 293 Q HA -0.224 4.117 4.340 0.001 0.000 0.216 293 Q C 0.681 176.745 176.000 0.107 0.000 0.986 293 Q CA 1.885 57.781 55.803 0.154 0.000 0.901 293 Q CB 0.182 29.090 28.738 0.284 0.000 0.954 293 Q HN 0.500 nan 8.270 nan 0.000 0.502 294 D N -2.150 118.294 120.400 0.074 0.000 2.457 294 D HA 0.016 4.657 4.640 0.001 0.000 0.254 294 D C 0.242 176.576 176.300 0.057 0.000 1.097 294 D CA 0.728 54.759 54.000 0.051 0.000 0.870 294 D CB 0.672 41.482 40.800 0.016 0.000 1.253 294 D HN -0.005 nan 8.370 nan 0.000 0.500 295 V N 1.214 121.182 119.914 0.090 0.000 4.288 295 V HA -0.279 3.842 4.120 0.001 0.000 0.203 295 V C 1.781 177.914 176.094 0.064 0.000 0.611 295 V CA 1.058 63.429 62.300 0.119 0.000 0.871 295 V CB -2.405 29.500 31.823 0.138 0.000 0.883 295 V HN 0.462 nan 8.190 nan 0.000 0.957 296 G N 0.078 108.909 108.800 0.052 0.000 2.684 296 G HA2 -0.479 3.481 3.960 0.001 0.000 0.358 296 G HA3 -0.479 3.481 3.960 0.001 0.000 0.358 296 G C 0.401 175.285 174.900 -0.026 0.000 1.164 296 G CA 0.917 46.032 45.100 0.025 0.000 0.935 296 G HN 0.974 nan 8.290 nan 0.000 0.574 297 N N 2.994 121.650 118.700 -0.073 0.000 2.359 297 N HA 0.053 4.793 4.740 0.001 0.000 0.261 297 N C -0.492 174.874 175.510 -0.240 0.000 1.267 297 N CA -0.255 52.691 53.050 -0.174 0.000 0.864 297 N CB 1.305 39.657 38.487 -0.225 0.000 1.063 297 N HN 0.262 nan 8.380 nan 0.000 0.474 298 P HA -0.079 nan 4.420 nan 0.000 0.229 298 P C 1.513 178.524 177.300 -0.481 0.000 1.160 298 P CA 0.761 63.675 63.100 -0.309 0.000 0.777 298 P CB 0.514 32.063 31.700 -0.251 0.000 0.814 299 L N -0.808 119.986 121.223 -0.714 0.000 2.034 299 L HA -0.059 4.282 4.340 0.001 0.000 0.203 299 L C 2.583 178.967 176.870 -0.810 0.000 1.074 299 L CA 0.805 55.005 54.840 -1.067 0.000 0.748 299 L CB -1.139 40.234 42.059 -1.143 0.000 0.905 299 L HN -0.039 nan 8.230 nan 0.000 0.439 300 L N 0.308 121.231 121.223 -0.500 0.000 2.349 300 L HA -0.143 4.197 4.340 0.001 0.000 0.220 300 L C 2.353 179.152 176.870 -0.118 0.000 1.130 300 L CA 1.523 56.180 54.840 -0.305 0.000 0.791 300 L CB -0.488 41.330 42.059 -0.401 0.000 0.918 300 L HN 0.167 nan 8.230 nan 0.000 0.444 301 A N -0.825 121.902 122.820 -0.156 0.000 1.832 301 A HA -0.149 4.172 4.320 0.001 0.000 0.214 301 A C 2.407 180.020 177.584 0.047 0.000 1.204 301 A CA 1.578 53.604 52.037 -0.019 0.000 0.606 301 A CB -1.084 17.880 19.000 -0.060 0.000 0.849 301 A HN 0.576 nan 8.150 nan 0.000 0.445 302 S N -2.239 113.445 115.700 -0.026 0.000 2.527 302 S HA -0.040 4.430 4.470 0.001 0.000 0.222 302 S C 1.458 176.302 174.600 0.406 0.000 0.985 302 S CA 0.660 58.944 58.200 0.140 0.000 0.921 302 S CB -0.353 62.925 63.200 0.130 0.000 0.772 302 S HN 0.655 nan 8.310 nan 0.000 0.529 303 W N 1.612 122.987 121.300 0.126 0.000 2.846 303 W HA 0.493 5.154 4.660 0.001 0.000 0.273 303 W C 2.409 179.111 176.519 0.305 0.000 1.081 303 W CA -0.154 57.298 57.345 0.180 0.000 1.692 303 W CB -1.359 28.193 29.460 0.153 0.000 1.106 303 W HN 0.353 nan 8.180 nan 0.000 0.577 304 G N 1.520 110.680 108.800 0.600 0.000 2.780 304 G HA2 -0.216 3.744 3.960 0.001 0.000 0.205 304 G HA3 -0.216 3.744 3.960 0.001 0.000 0.205 304 G C 1.400 176.671 174.900 0.617 0.000 1.158 304 G CA 0.479 46.060 45.100 0.803 0.000 0.812 304 G HN 0.236 nan 8.290 nan 0.000 0.521 305 K N -0.518 120.128 120.400 0.409 0.000 2.127 305 K HA -0.226 4.095 4.320 0.001 0.000 0.212 305 K C 2.243 178.912 176.600 0.114 0.000 1.050 305 K CA 1.529 57.953 56.287 0.229 0.000 0.929 305 K CB -0.268 32.334 32.500 0.171 0.000 0.715 305 K HN 0.470 nan 8.250 nan 0.000 0.457 306 L N 0.164 121.420 121.223 0.055 0.000 2.093 306 L HA -0.071 4.270 4.340 0.001 0.000 0.208 306 L C 2.241 178.980 176.870 -0.218 0.000 1.085 306 L CA 1.583 56.335 54.840 -0.148 0.000 0.755 306 L CB -0.556 41.327 42.059 -0.293 0.000 0.904 306 L HN 0.227 nan 8.230 nan 0.000 0.435 307 G N 0.023 108.715 108.800 -0.180 0.000 2.433 307 G HA2 -0.260 3.701 3.960 0.001 0.000 0.216 307 G HA3 -0.260 3.701 3.960 0.001 0.000 0.216 307 G C 1.511 176.308 174.900 -0.171 0.000 1.186 307 G CA 0.880 46.039 45.100 0.099 0.000 0.779 307 G HN 0.403 nan 8.290 nan 0.000 0.543 308 R N 0.685 120.990 120.500 -0.325 0.000 2.136 308 R HA -0.151 4.190 4.340 0.001 0.000 0.242 308 R C 2.191 178.330 176.300 -0.268 0.000 1.131 308 R CA 1.743 57.527 56.100 -0.526 0.000 0.937 308 R CB -0.842 29.328 30.300 -0.216 0.000 0.863 308 R HN 0.231 nan 8.270 nan 0.000 0.435 309 D N 0.085 120.402 120.400 -0.138 0.000 2.127 309 D HA -0.225 4.416 4.640 0.001 0.000 0.190 309 D C 1.789 178.102 176.300 0.021 0.000 1.000 309 D CA 1.431 55.389 54.000 -0.070 0.000 0.839 309 D CB -0.642 40.124 40.800 -0.057 0.000 0.955 309 D HN 0.223 nan 8.370 nan 0.000 0.446 310 Y N 0.744 120.943 120.300 -0.168 0.000 2.207 310 Y HA -0.155 4.395 4.550 0.001 0.000 0.287 310 Y C 2.157 177.914 175.900 -0.239 0.000 1.156 310 Y CA 0.844 58.814 58.100 -0.215 0.000 1.182 310 Y CB -0.279 37.982 38.460 -0.331 0.000 0.979 310 Y HN -0.038 nan 8.280 nan 0.000 0.521 311 I N -0.404 120.004 120.570 -0.269 0.000 2.315 311 I HA -0.288 3.882 4.170 0.001 0.000 0.248 311 I C 2.152 178.230 176.117 -0.066 0.000 1.117 311 I CA 1.546 62.692 61.300 -0.257 0.000 1.404 311 I CB -1.073 36.729 38.000 -0.330 0.000 1.071 311 I HN 0.385 nan 8.210 nan 0.000 0.419 312 Y N 1.494 121.700 120.300 -0.155 0.000 2.224 312 Y HA -0.163 4.388 4.550 0.001 0.000 0.289 312 Y C 2.235 178.162 175.900 0.045 0.000 1.146 312 Y CA 1.683 59.814 58.100 0.051 0.000 1.182 312 Y CB -0.292 38.184 38.460 0.027 0.000 0.983 312 Y HN 0.114 nan 8.280 nan 0.000 0.524 313 L N -0.637 120.674 121.223 0.148 0.000 2.313 313 L HA -0.111 4.229 4.340 0.001 0.000 0.214 313 L C 2.192 179.002 176.870 -0.099 0.000 1.119 313 L CA 0.513 55.373 54.840 0.035 0.000 0.809 313 L CB -0.411 41.683 42.059 0.059 0.000 0.933 313 L HN 0.277 nan 8.230 nan 0.000 0.449 314 L N -0.212 120.900 121.223 -0.186 0.000 2.109 314 L HA -0.094 4.246 4.340 0.001 0.000 0.207 314 L C 2.329 179.173 176.870 -0.044 0.000 1.086 314 L CA 1.207 55.938 54.840 -0.181 0.000 0.760 314 L CB -0.260 41.619 42.059 -0.299 0.000 0.910 314 L HN 0.327 nan 8.230 nan 0.000 0.437 315 S N -2.812 112.887 115.700 -0.001 0.000 2.743 315 S HA -0.018 4.453 4.470 0.001 0.000 0.230 315 S C 0.660 175.255 174.600 -0.007 0.000 0.950 315 S CA 0.046 58.254 58.200 0.012 0.000 0.976 315 S CB -0.066 63.166 63.200 0.053 0.000 0.779 315 S HN 0.321 nan 8.310 nan 0.000 0.487 316 D N 0.355 120.726 120.400 -0.047 0.000 2.469 316 D HA 0.343 4.983 4.640 0.001 0.000 0.215 316 D C -0.021 176.246 176.300 -0.056 0.000 1.154 316 D CA -0.154 53.804 54.000 -0.070 0.000 0.832 316 D CB 0.342 41.012 40.800 -0.216 0.000 1.008 316 D HN 0.382 nan 8.370 nan 0.000 0.506 317 L N 0.467 121.669 121.223 -0.036 0.000 2.399 317 L HA 0.440 4.781 4.340 0.001 0.000 0.265 317 L C 0.869 177.726 176.870 -0.021 0.000 1.089 317 L CA -0.457 54.366 54.840 -0.027 0.000 0.802 317 L CB 1.378 43.424 42.059 -0.022 0.000 1.180 317 L HN -0.114 nan 8.230 nan 0.000 0.454 318 E N -0.258 119.929 120.200 -0.022 0.000 2.207 318 E HA -0.052 4.298 4.350 0.001 0.000 0.197 318 E C 1.661 178.245 176.600 -0.027 0.000 0.914 318 E CA 0.360 56.746 56.400 -0.023 0.000 0.914 318 E CB 0.074 29.759 29.700 -0.025 0.000 0.893 318 E HN 0.573 nan 8.360 nan 0.000 0.479 319 S N 0.932 116.615 115.700 -0.028 0.000 2.595 319 S HA -0.034 4.437 4.470 0.001 0.000 0.235 319 S C 0.678 175.258 174.600 -0.033 0.000 0.974 319 S CA 0.370 58.549 58.200 -0.035 0.000 0.942 319 S CB -0.607 62.571 63.200 -0.037 0.000 0.766 319 S HN 0.312 nan 8.310 nan 0.000 0.536 320 S N 0.445 116.129 115.700 -0.025 0.000 2.624 320 S HA 0.353 4.823 4.470 0.001 0.000 0.263 320 S C -0.164 174.415 174.600 -0.034 0.000 1.287 320 S CA -0.658 57.529 58.200 -0.022 0.000 0.990 320 S CB 1.060 64.255 63.200 -0.009 0.000 0.950 320 S HN 0.497 nan 8.310 nan 0.000 0.561 321 Q N 0.884 120.658 119.800 -0.042 0.000 3.825 321 Q HA 0.153 4.494 4.340 0.001 0.000 0.218 321 Q C -0.879 175.073 176.000 -0.081 0.000 0.882 321 Q CA -0.290 55.476 55.803 -0.062 0.000 0.766 321 Q CB 0.465 29.157 28.738 -0.076 0.000 1.497 321 Q HN 0.929 nan 8.270 nan 0.000 0.428 322 E N 1.998 122.173 120.200 -0.042 0.000 2.392 322 E HA 0.480 4.831 4.350 0.001 0.000 0.259 322 E C -0.456 176.106 176.600 -0.062 0.000 1.108 322 E CA -0.396 55.989 56.400 -0.024 0.000 0.916 322 E CB 0.735 30.438 29.700 0.005 0.000 0.989 322 E HN 0.396 nan 8.360 nan 0.000 0.432 323 L N -1.282 119.920 121.223 -0.034 0.000 2.506 323 L HA 0.547 4.887 4.340 0.001 0.000 0.257 323 L C -1.157 175.776 176.870 0.105 0.000 0.964 323 L CA -1.438 53.407 54.840 0.010 0.000 0.836 323 L CB 1.755 43.802 42.059 -0.019 0.000 1.384 323 L HN 0.266 nan 8.230 nan 0.000 0.410 324 D N 1.224 121.710 120.400 0.143 0.000 2.372 324 D HA 0.636 5.277 4.640 0.001 0.000 0.243 324 D C 0.400 176.793 176.300 0.154 0.000 1.121 324 D CA 0.786 54.931 54.000 0.241 0.000 0.898 324 D CB 1.914 42.892 40.800 0.296 0.000 1.202 324 D HN 0.889 nan 8.370 nan 0.000 0.428 325 A N 1.775 124.623 122.820 0.047 0.000 2.474 325 A HA 0.150 4.470 4.320 0.001 0.000 0.249 325 A C -0.549 176.964 177.584 -0.119 0.000 0.891 325 A CA -0.500 51.522 52.037 -0.025 0.000 1.135 325 A CB -0.530 18.464 19.000 -0.010 0.000 1.191 325 A HN 0.358 nan 8.150 nan 0.000 0.471 326 F N 0.695 120.659 119.950 0.024 0.000 2.504 326 F HA 0.394 4.922 4.527 0.001 0.000 0.369 326 F C 0.613 176.390 175.800 -0.037 0.000 1.082 326 F CA 0.313 58.307 58.000 -0.010 0.000 1.216 326 F CB 1.020 40.008 39.000 -0.021 0.000 1.108 326 F HN -0.033 nan 8.300 nan 0.000 0.554 327 V N 3.821 123.793 119.914 0.097 0.000 2.612 327 V HA 0.195 4.316 4.120 0.001 0.000 0.301 327 V C 0.110 176.218 176.094 0.024 0.000 1.046 327 V CA -1.060 61.260 62.300 0.032 0.000 0.946 327 V CB 1.481 33.298 31.823 -0.010 0.000 1.003 327 V HN 0.591 nan 8.190 nan 0.000 0.459 328 D N 1.869 122.268 120.400 -0.002 0.000 2.363 328 D HA 0.262 4.902 4.640 0.001 0.000 0.240 328 D C -0.415 175.853 176.300 -0.053 0.000 1.236 328 D CA 0.098 54.084 54.000 -0.024 0.000 0.927 328 D CB 1.484 42.271 40.800 -0.022 0.000 1.150 328 D HN 0.243 nan 8.370 nan 0.000 0.458 329 V N 1.286 121.162 119.914 -0.063 0.000 2.454 329 V HA 0.076 4.197 4.120 0.001 0.000 0.267 329 V C -0.011 176.045 176.094 -0.065 0.000 0.993 329 V CA -0.800 61.438 62.300 -0.103 0.000 0.836 329 V CB 0.995 32.757 31.823 -0.101 0.000 1.055 329 V HN 0.630 nan 8.190 nan 0.000 0.452 330 T N 2.248 116.770 114.554 -0.052 0.000 2.792 330 T HA 0.155 4.505 4.350 0.001 0.000 0.286 330 T C -2.280 172.449 174.700 0.049 0.000 0.970 330 T CA -1.046 61.054 62.100 0.000 0.000 1.187 330 T CB 0.551 69.427 68.868 0.012 0.000 0.915 330 T HN 0.301 nan 8.240 nan 0.000 0.529 331 P HA 0.105 nan 4.420 nan 0.000 0.238 331 P C 0.566 177.925 177.300 0.099 0.000 1.729 331 P CA -0.049 63.108 63.100 0.095 0.000 1.055 331 P CB -0.087 31.651 31.700 0.063 0.000 1.980 332 D N -1.520 118.958 120.400 0.131 0.000 2.324 332 D HA 0.013 4.654 4.640 0.001 0.000 0.212 332 D C 0.345 176.658 176.300 0.021 0.000 0.984 332 D CA 0.436 54.479 54.000 0.073 0.000 0.885 332 D CB 0.014 40.859 40.800 0.075 0.000 0.996 332 D HN 0.154 nan 8.370 nan 0.000 0.505 333 N N 0.667 119.360 118.700 -0.012 0.000 2.476 333 N HA 0.132 4.872 4.740 0.001 0.000 0.276 333 N C 0.944 176.430 175.510 -0.039 0.000 1.204 333 N CA -0.585 52.386 53.050 -0.132 0.000 0.974 333 N CB 2.125 40.341 38.487 -0.450 0.000 1.204 333 N HN -0.028 nan 8.380 nan 0.000 0.543 334 L N 0.794 121.964 121.223 -0.089 0.000 2.109 334 L HA 0.078 4.419 4.340 0.001 0.000 0.207 334 L C 1.877 178.749 176.870 0.003 0.000 1.086 334 L CA 1.392 56.171 54.840 -0.102 0.000 0.760 334 L CB -0.626 41.314 42.059 -0.200 0.000 0.910 334 L HN 0.557 nan 8.230 nan 0.000 0.437 335 L N -1.178 120.032 121.223 -0.020 0.000 1.994 335 L HA -0.241 4.100 4.340 0.001 0.000 0.208 335 L C 2.652 179.631 176.870 0.181 0.000 1.071 335 L CA 1.540 56.411 54.840 0.052 0.000 0.745 335 L CB -0.599 41.457 42.059 -0.005 0.000 0.892 335 L HN 0.394 nan 8.230 nan 0.000 0.431 336 H N 0.140 119.223 119.070 0.023 0.000 2.387 336 H HA -0.119 4.438 4.556 0.001 0.000 0.299 336 H C 2.141 177.492 175.328 0.039 0.000 1.090 336 H CA 1.207 57.269 56.048 0.023 0.000 1.332 336 H CB -0.492 29.279 29.762 0.015 0.000 1.386 336 H HN 0.409 nan 8.280 nan 0.000 0.516 337 N N 0.498 119.309 118.700 0.186 0.000 2.028 337 N HA -0.125 4.615 4.740 0.001 0.000 0.194 337 N C 2.059 177.660 175.510 0.152 0.000 1.050 337 N CA 1.016 54.158 53.050 0.155 0.000 0.848 337 N CB -0.244 38.367 38.487 0.208 0.000 1.038 337 N HN 0.197 nan 8.380 nan 0.000 0.423 338 I N 1.940 122.622 120.570 0.186 0.000 2.118 338 I HA -0.257 3.914 4.170 0.001 0.000 0.241 338 I C 2.334 178.529 176.117 0.131 0.000 1.070 338 I CA 1.296 62.728 61.300 0.220 0.000 1.327 338 I CB -1.330 36.813 38.000 0.238 0.000 1.034 338 I HN 0.263 nan 8.210 nan 0.000 0.405 339 Q N 0.014 119.876 119.800 0.103 0.000 2.152 339 Q HA -0.226 4.115 4.340 0.001 0.000 0.206 339 Q C 2.490 178.494 176.000 0.007 0.000 0.985 339 Q CA 2.166 57.995 55.803 0.044 0.000 0.863 339 Q CB -0.135 28.633 28.738 0.050 0.000 0.904 339 Q HN 0.437 nan 8.270 nan 0.000 0.422 340 S N 0.377 116.094 115.700 0.028 0.000 2.348 340 S HA -0.178 4.293 4.470 0.001 0.000 0.221 340 S C 1.343 175.934 174.600 -0.016 0.000 1.033 340 S CA 1.450 59.649 58.200 -0.003 0.000 1.010 340 S CB -0.239 62.973 63.200 0.020 0.000 0.891 340 S HN 0.321 nan 8.310 nan 0.000 0.442 341 D N 1.496 121.913 120.400 0.028 0.000 2.127 341 D HA -0.139 4.501 4.640 0.001 0.000 0.190 341 D C 1.923 178.189 176.300 -0.055 0.000 1.000 341 D CA 1.586 55.601 54.000 0.026 0.000 0.839 341 D CB -0.683 40.199 40.800 0.137 0.000 0.955 341 D HN 0.455 nan 8.370 nan 0.000 0.446 342 I N 0.730 121.251 120.570 -0.081 0.000 2.300 342 I HA -0.251 3.920 4.170 0.001 0.000 0.252 342 I C 2.541 178.536 176.117 -0.202 0.000 1.119 342 I CA 0.591 61.788 61.300 -0.171 0.000 1.384 342 I CB -0.099 37.803 38.000 -0.163 0.000 1.062 342 I HN 0.068 nan 8.210 nan 0.000 0.426 343 L N 0.202 121.331 121.223 -0.157 0.000 2.068 343 L HA -0.153 4.188 4.340 0.001 0.000 0.204 343 L C 2.126 178.812 176.870 -0.305 0.000 1.076 343 L CA 1.500 56.224 54.840 -0.193 0.000 0.753 343 L CB -0.119 41.864 42.059 -0.127 0.000 0.910 343 L HN 0.125 nan 8.230 nan 0.000 0.439 344 E N -0.098 119.957 120.200 -0.243 0.000 2.502 344 E HA -0.031 4.320 4.350 0.001 0.000 0.194 344 E C 0.606 177.110 176.600 -0.159 0.000 1.062 344 E CA -0.057 56.169 56.400 -0.289 0.000 0.867 344 E CB 0.033 29.657 29.700 -0.127 0.000 0.888 344 E HN 0.227 nan 8.360 nan 0.000 0.510 345 L N 0.855 122.001 121.223 -0.128 0.000 3.608 345 L HA -0.261 4.080 4.340 0.001 0.000 0.422 345 L C -1.027 175.861 176.870 0.030 0.000 1.260 345 L CA 0.985 55.808 54.840 -0.029 0.000 0.889 345 L CB -1.384 40.741 42.059 0.111 0.000 1.821 345 L HN 0.223 nan 8.230 nan 0.000 0.884 346 E N -0.529 119.676 120.200 0.008 0.000 2.256 346 E HA 0.502 4.853 4.350 0.001 0.000 0.267 346 E C -0.309 176.319 176.600 0.046 0.000 0.892 346 E CA -0.850 55.571 56.400 0.036 0.000 0.775 346 E CB 1.501 31.228 29.700 0.046 0.000 1.207 346 E HN 0.455 nan 8.360 nan 0.000 0.420 347 N N 1.228 119.963 118.700 0.060 0.000 2.444 347 N HA 0.132 4.873 4.740 0.001 0.000 0.262 347 N C -0.010 175.568 175.510 0.114 0.000 0.974 347 N CA -0.616 52.500 53.050 0.110 0.000 0.933 347 N CB 0.561 39.089 38.487 0.069 0.000 1.137 347 N HN 0.288 nan 8.380 nan 0.000 0.498 348 R N 1.978 122.567 120.500 0.147 0.000 2.427 348 R HA 0.227 4.568 4.340 0.001 0.000 0.262 348 R C -0.050 176.233 176.300 -0.029 0.000 0.943 348 R CA -0.271 55.839 56.100 0.016 0.000 1.081 348 R CB -0.081 30.177 30.300 -0.070 0.000 1.166 348 R HN 0.481 nan 8.270 nan 0.000 0.534 349 A N 1.053 123.923 122.820 0.083 0.000 2.425 349 A HA 0.372 4.693 4.320 0.001 0.000 0.249 349 A C 0.081 177.686 177.584 0.035 0.000 1.084 349 A CA -0.106 51.965 52.037 0.057 0.000 0.781 349 A CB 0.639 19.765 19.000 0.209 0.000 1.019 349 A HN 0.006 nan 8.150 nan 0.000 0.490 350 V N 2.350 122.274 119.914 0.016 0.000 2.378 350 V HA 0.470 4.591 4.120 0.001 0.000 0.288 350 V C 0.951 177.077 176.094 0.053 0.000 1.016 350 V CA 0.270 62.586 62.300 0.026 0.000 0.840 350 V CB 0.960 32.784 31.823 0.002 0.000 0.994 350 V HN 1.136 nan 8.190 nan 0.000 0.431 351 A N 3.301 126.158 122.820 0.063 0.000 2.044 351 A HA 0.534 4.855 4.320 0.001 0.000 0.213 351 A C 1.602 179.250 177.584 0.107 0.000 1.169 351 A CA 0.705 52.787 52.037 0.074 0.000 0.724 351 A CB -0.160 18.872 19.000 0.054 0.000 0.840 351 A HN 1.987 nan 8.150 nan 0.000 0.463 352 G N -0.394 108.476 108.800 0.117 0.000 2.370 352 G HA2 -0.153 3.808 3.960 0.001 0.000 0.268 352 G HA3 -0.153 3.808 3.960 0.001 0.000 0.268 352 G C 0.534 175.477 174.900 0.073 0.000 1.122 352 G CA 0.153 45.365 45.100 0.187 0.000 0.963 352 G HN 0.853 nan 8.290 nan 0.000 0.500 353 V N -0.674 119.267 119.914 0.045 0.000 2.913 353 V HA 0.042 4.163 4.120 0.001 0.000 0.260 353 V C 1.317 177.408 176.094 -0.005 0.000 1.098 353 V CA 1.680 63.984 62.300 0.008 0.000 1.121 353 V CB -0.917 30.915 31.823 0.016 0.000 0.714 353 V HN 0.978 nan 8.190 nan 0.000 0.487 354 N N -0.586 118.129 118.700 0.025 0.000 2.331 354 N HA 0.254 4.994 4.740 0.001 0.000 0.280 354 N C 0.289 175.847 175.510 0.081 0.000 1.155 354 N CA -0.547 52.517 53.050 0.024 0.000 0.822 354 N CB 2.393 40.895 38.487 0.025 0.000 1.619 354 N HN -0.019 nan 8.380 nan 0.000 0.476 355 I N -1.107 119.506 120.570 0.072 0.000 2.381 355 I HA -0.243 3.928 4.170 0.001 0.000 0.255 355 I C 2.152 178.358 176.117 0.148 0.000 1.140 355 I CA 1.339 62.735 61.300 0.160 0.000 1.404 355 I CB -0.822 37.237 38.000 0.098 0.000 1.075 355 I HN 0.696 nan 8.210 nan 0.000 0.433 356 E N 1.446 121.696 120.200 0.082 0.000 2.028 356 E HA -0.288 4.063 4.350 0.001 0.000 0.191 356 E C 2.156 178.783 176.600 0.045 0.000 0.988 356 E CA 1.755 58.183 56.400 0.047 0.000 0.799 356 E CB -0.040 29.676 29.700 0.027 0.000 0.755 356 E HN 0.666 nan 8.360 nan 0.000 0.447 357 E N -0.019 120.220 120.200 0.064 0.000 2.031 357 E HA -0.178 4.173 4.350 0.001 0.000 0.193 357 E C 2.079 178.727 176.600 0.079 0.000 0.994 357 E CA 1.513 57.947 56.400 0.056 0.000 0.800 357 E CB -0.711 29.028 29.700 0.066 0.000 0.752 357 E HN 0.306 nan 8.360 nan 0.000 0.447 358 F N 0.200 120.135 119.950 -0.026 0.000 2.293 358 F HA -0.039 4.489 4.527 0.001 0.000 0.300 358 F C 1.980 177.761 175.800 -0.032 0.000 1.086 358 F CA 1.356 59.340 58.000 -0.026 0.000 1.375 358 F CB -0.144 38.847 39.000 -0.016 0.000 1.045 358 F HN -0.020 nan 8.300 nan 0.000 0.516 359 S N 0.261 115.854 115.700 -0.177 0.000 2.377 359 S HA 0.032 4.503 4.470 0.001 0.000 0.223 359 S C 1.107 175.543 174.600 -0.272 0.000 1.030 359 S CA 0.195 58.215 58.200 -0.301 0.000 0.970 359 S CB -0.160 62.999 63.200 -0.068 0.000 0.830 359 S HN 0.130 nan 8.310 nan 0.000 0.473 360 R N 1.017 121.406 120.500 -0.184 0.000 2.583 360 R HA 0.422 4.763 4.340 0.001 0.000 0.268 360 R C 0.271 176.432 176.300 -0.231 0.000 1.101 360 R CA 0.075 56.063 56.100 -0.186 0.000 1.180 360 R CB 0.821 31.035 30.300 -0.143 0.000 1.128 360 R HN 0.152 nan 8.270 nan 0.000 0.568 361 S N -0.173 115.358 115.700 -0.282 0.000 2.817 361 S HA -0.008 4.462 4.470 0.001 0.000 0.262 361 S C 0.090 174.309 174.600 -0.635 0.000 1.051 361 S CA -0.337 57.657 58.200 -0.343 0.000 1.185 361 S CB 0.431 63.464 63.200 -0.278 0.000 1.152 361 S HN 0.633 nan 8.310 nan 0.000 0.653 362 D N 1.971 122.001 120.400 -0.618 0.000 2.328 362 D HA -0.032 4.608 4.640 0.001 0.000 0.226 362 D C 0.877 176.948 176.300 -0.381 0.000 1.066 362 D CA 0.045 53.566 54.000 -0.798 0.000 0.861 362 D CB -0.901 39.635 40.800 -0.439 0.000 0.912 362 D HN 0.671 nan 8.370 nan 0.000 0.521 363 N N 0.332 118.875 118.700 -0.262 0.000 2.333 363 N HA -0.092 4.649 4.740 0.001 0.000 0.178 363 N C 0.572 176.043 175.510 -0.065 0.000 1.018 363 N CA 0.062 53.040 53.050 -0.120 0.000 0.882 363 N CB 0.030 38.461 38.487 -0.092 0.000 0.984 363 N HN -0.002 nan 8.380 nan 0.000 0.434 364 K N 1.009 121.372 120.400 -0.062 0.000 2.136 364 K HA 0.199 4.520 4.320 0.001 0.000 0.237 364 K C 0.135 176.847 176.600 0.186 0.000 1.048 364 K CA -0.454 55.848 56.287 0.025 0.000 0.880 364 K CB 0.673 33.215 32.500 0.070 0.000 1.105 364 K HN 0.076 nan 8.250 nan 0.000 0.507 365 R N 1.626 122.130 120.500 0.006 0.000 2.531 365 R HA 0.166 4.507 4.340 0.001 0.000 0.273 365 R C -2.187 174.065 176.300 -0.079 0.000 1.070 365 R CA -1.720 54.378 56.100 -0.004 0.000 1.112 365 R CB 0.155 30.346 30.300 -0.182 0.000 1.049 365 R HN 0.448 nan 8.270 nan 0.000 0.508 366 P HA -0.044 nan 4.420 nan 0.000 0.276 366 P C 0.031 177.131 177.300 -0.334 0.000 1.230 366 P CA -0.259 62.438 63.100 -0.671 0.000 0.776 366 P CB 0.914 32.424 31.700 -0.316 0.000 0.888 367 L N 2.944 123.926 121.223 -0.401 0.000 1.984 367 L HA 0.174 4.515 4.340 0.001 0.000 0.207 367 L C 0.415 177.174 176.870 -0.186 0.000 1.111 367 L CA 2.423 57.127 54.840 -0.227 0.000 0.770 367 L CB -1.389 40.510 42.059 -0.267 0.000 0.900 367 L HN 0.630 nan 8.230 nan 0.000 0.441 368 D N -1.799 118.481 120.400 -0.200 0.000 2.904 368 D HA -0.085 4.555 4.640 0.001 0.000 0.180 368 D C -1.814 174.423 176.300 -0.104 0.000 1.164 368 D CA 0.290 54.211 54.000 -0.131 0.000 0.726 368 D CB -0.630 40.116 40.800 -0.089 0.000 0.544 368 D HN 0.206 nan 8.370 nan 0.000 0.307 369 P HA -0.192 nan 4.420 nan 0.000 0.218 369 P C 1.741 179.115 177.300 0.123 0.000 1.147 369 P CA 0.454 63.534 63.100 -0.033 0.000 0.827 369 P CB 0.283 31.971 31.700 -0.020 0.000 0.778 370 L N -0.729 120.516 121.223 0.036 0.000 2.492 370 L HA 0.062 4.403 4.340 0.001 0.000 0.223 370 L C 0.804 177.685 176.870 0.020 0.000 1.132 370 L CA 0.909 55.767 54.840 0.030 0.000 0.850 370 L CB -1.236 40.827 42.059 0.006 0.000 0.966 370 L HN 0.003 nan 8.230 nan 0.000 0.454 371 D N -0.102 120.305 120.400 0.011 0.000 2.358 371 D HA -0.019 4.622 4.640 0.001 0.000 0.258 371 D C 1.186 177.488 176.300 0.004 0.000 1.223 371 D CA 0.215 54.206 54.000 -0.014 0.000 0.886 371 D CB 1.177 41.947 40.800 -0.049 0.000 1.120 371 D HN 0.112 nan 8.370 nan 0.000 0.482 372 S N 0.985 116.680 115.700 -0.008 0.000 2.539 372 S HA 0.041 4.512 4.470 0.001 0.000 0.221 372 S C 0.612 175.208 174.600 -0.006 0.000 0.987 372 S CA -0.467 57.735 58.200 0.004 0.000 0.929 372 S CB -0.155 63.056 63.200 0.018 0.000 0.832 372 S HN 0.350 nan 8.310 nan 0.000 0.492 373 S N 2.197 117.874 115.700 -0.039 0.000 2.533 373 S HA 0.516 4.987 4.470 0.001 0.000 0.282 373 S C 0.362 174.938 174.600 -0.040 0.000 1.304 373 S CA -0.669 57.499 58.200 -0.053 0.000 1.063 373 S CB -0.690 62.443 63.200 -0.112 0.000 0.881 373 S HN 0.632 nan 8.310 nan 0.000 0.493 374 I N 0.776 121.315 120.570 -0.051 0.000 7.634 374 I HA -0.187 3.984 4.170 0.001 0.000 0.126 374 I C -0.192 175.871 176.117 -0.090 0.000 1.842 374 I CA 0.246 61.491 61.300 -0.093 0.000 2.040 374 I CB -2.117 35.886 38.000 0.005 0.000 3.684 374 I HN 0.842 nan 8.210 nan 0.000 0.170 375 T N 5.735 120.141 114.554 -0.247 0.000 2.924 375 T HA 0.831 5.182 4.350 0.001 0.000 0.291 375 T C -0.593 173.712 174.700 -0.659 0.000 1.045 375 T CA -0.622 61.331 62.100 -0.246 0.000 1.015 375 T CB 1.925 70.709 68.868 -0.140 0.000 1.103 375 T HN 0.178 nan 8.240 nan 0.000 0.496 376 F N 1.370 120.984 119.950 -0.560 0.000 2.529 376 F HA 0.455 4.982 4.527 0.001 0.000 0.320 376 F C 0.366 175.690 175.800 -0.793 0.000 1.118 376 F CA -0.860 56.849 58.000 -0.485 0.000 0.915 376 F CB 1.602 40.493 39.000 -0.181 0.000 1.161 376 F HN 0.487 nan 8.300 nan 0.000 0.445 377 H N 2.523 121.516 119.070 -0.129 0.000 2.609 377 H HA 0.540 5.097 4.556 0.001 0.000 0.344 377 H C -1.212 173.983 175.328 -0.220 0.000 1.040 377 H CA -0.753 55.222 56.048 -0.121 0.000 1.216 377 H CB 2.370 32.089 29.762 -0.073 0.000 1.529 377 H HN 0.304 nan 8.280 nan 0.000 0.519 378 V N 3.821 123.632 119.914 -0.172 0.000 2.357 378 V HA 0.223 4.343 4.120 0.001 0.000 0.284 378 V C 0.250 176.246 176.094 -0.163 0.000 1.018 378 V CA -0.380 61.660 62.300 -0.434 0.000 0.841 378 V CB 0.721 32.250 31.823 -0.490 0.000 0.991 378 V HN 0.844 nan 8.190 nan 0.000 0.437 379 C N 2.672 121.880 119.300 -0.153 0.000 2.630 379 C HA 0.498 4.959 4.460 0.001 0.000 0.346 379 C C 1.474 176.395 174.990 -0.115 0.000 1.245 379 C CA -0.515 58.486 59.018 -0.030 0.000 1.804 379 C CB 1.418 29.171 27.740 0.022 0.000 2.279 379 C HN 0.969 nan 8.230 nan 0.000 0.498 380 H N 0.210 119.245 119.070 -0.059 0.000 2.525 380 H HA 0.175 4.731 4.556 0.001 0.000 0.275 380 H C 0.987 176.281 175.328 -0.058 0.000 0.984 380 H CA 1.394 57.405 56.048 -0.061 0.000 1.264 380 H CB 0.152 29.867 29.762 -0.080 0.000 1.432 380 H HN 0.754 nan 8.280 nan 0.000 0.549 381 S N -2.523 113.201 115.700 0.039 0.000 2.595 381 S HA 0.199 4.670 4.470 0.001 0.000 0.270 381 S C -2.479 172.083 174.600 -0.063 0.000 1.145 381 S CA -1.237 56.949 58.200 -0.024 0.000 0.825 381 S CB 1.585 64.735 63.200 -0.083 0.000 1.107 381 S HN -0.261 nan 8.310 nan 0.000 0.461 382 P HA -0.154 nan 4.420 nan 0.000 0.216 382 P C 1.675 178.831 177.300 -0.240 0.000 1.153 382 P CA 1.359 64.462 63.100 0.004 0.000 0.858 382 P CB 0.068 31.798 31.700 0.051 0.000 0.789 383 Q N -0.679 118.647 119.800 -0.790 0.000 1.948 383 Q HA -0.224 4.116 4.340 0.001 0.000 0.205 383 Q C 2.349 178.191 176.000 -0.263 0.000 0.992 383 Q CA 1.765 57.154 55.803 -0.690 0.000 0.849 383 Q CB -0.756 27.554 28.738 -0.713 0.000 0.918 383 Q HN -0.046 nan 8.270 nan 0.000 0.421 384 R N 1.084 121.446 120.500 -0.230 0.000 2.133 384 R HA -0.201 4.139 4.340 0.001 0.000 0.245 384 R C 1.989 178.222 176.300 -0.112 0.000 1.137 384 R CA 2.254 58.261 56.100 -0.155 0.000 0.947 384 R CB -0.668 29.562 30.300 -0.117 0.000 0.865 384 R HN 0.441 nan 8.270 nan 0.000 0.437 385 E N -0.810 119.356 120.200 -0.055 0.000 2.160 385 E HA -0.153 4.198 4.350 0.001 0.000 0.195 385 E C 1.471 178.082 176.600 0.018 0.000 0.991 385 E CA 1.545 57.946 56.400 0.002 0.000 0.810 385 E CB 0.147 29.909 29.700 0.102 0.000 0.742 385 E HN 0.248 nan 8.360 nan 0.000 0.466 386 V N 0.747 120.687 119.914 0.043 0.000 2.725 386 V HA -0.111 4.010 4.120 0.001 0.000 0.247 386 V C 1.944 178.078 176.094 0.066 0.000 1.058 386 V CA 1.483 63.839 62.300 0.094 0.000 1.080 386 V CB -0.332 31.598 31.823 0.177 0.000 0.713 386 V HN 0.212 nan 8.190 nan 0.000 0.465 387 E N 0.461 120.659 120.200 -0.004 0.000 2.077 387 E HA -0.165 4.185 4.350 0.001 0.000 0.193 387 E C 2.298 178.862 176.600 -0.059 0.000 0.989 387 E CA 1.459 57.843 56.400 -0.026 0.000 0.800 387 E CB -0.214 29.452 29.700 -0.057 0.000 0.746 387 E HN 0.434 nan 8.360 nan 0.000 0.452 388 V N 1.592 121.423 119.914 -0.139 0.000 2.295 388 V HA -0.249 3.872 4.120 0.001 0.000 0.246 388 V C 2.327 178.310 176.094 -0.185 0.000 1.049 388 V CA 1.501 63.654 62.300 -0.245 0.000 1.024 388 V CB -0.448 31.062 31.823 -0.522 0.000 0.648 388 V HN 0.229 nan 8.190 nan 0.000 0.447 389 L N -0.056 121.074 121.223 -0.154 0.000 1.989 389 L HA -0.244 4.097 4.340 0.001 0.000 0.211 389 L C 2.509 179.227 176.870 -0.254 0.000 1.071 389 L CA 2.344 57.011 54.840 -0.287 0.000 0.749 389 L CB -1.257 40.655 42.059 -0.244 0.000 0.890 389 L HN 0.461 nan 8.230 nan 0.000 0.431 390 H N -0.693 118.242 119.070 -0.226 0.000 2.431 390 H HA -0.197 4.360 4.556 0.001 0.000 0.297 390 H C 1.726 176.864 175.328 -0.317 0.000 1.115 390 H CA 2.059 57.902 56.048 -0.341 0.000 1.277 390 H CB 0.040 29.547 29.762 -0.425 0.000 1.372 390 H HN 0.475 nan 8.280 nan 0.000 0.516 391 D N -0.031 120.317 120.400 -0.087 0.000 2.084 391 D HA -0.107 4.534 4.640 0.001 0.000 0.196 391 D C 2.448 178.619 176.300 -0.214 0.000 0.985 391 D CA 0.820 54.765 54.000 -0.091 0.000 0.826 391 D CB -0.144 40.657 40.800 0.003 0.000 0.978 391 D HN 0.158 nan 8.370 nan 0.000 0.456 392 R N 0.292 120.679 120.500 -0.189 0.000 2.148 392 R HA 0.072 4.412 4.340 0.001 0.000 0.227 392 R C 2.232 178.370 176.300 -0.269 0.000 1.103 392 R CA 0.569 56.566 56.100 -0.171 0.000 0.983 392 R CB -0.532 29.715 30.300 -0.089 0.000 0.874 392 R HN 0.213 nan 8.270 nan 0.000 0.451 393 L N -0.663 120.337 121.223 -0.372 0.000 2.072 393 L HA -0.136 4.204 4.340 0.001 0.000 0.205 393 L C 1.836 178.474 176.870 -0.387 0.000 1.079 393 L CA 0.565 55.182 54.840 -0.373 0.000 0.752 393 L CB -0.445 41.365 42.059 -0.414 0.000 0.906 393 L HN 0.197 nan 8.230 nan 0.000 0.436 394 L N 0.019 120.938 121.223 -0.506 0.000 1.970 394 L HA -0.220 4.121 4.340 0.001 0.000 0.212 394 L C 2.715 179.244 176.870 -0.568 0.000 1.071 394 L CA 2.152 56.628 54.840 -0.606 0.000 0.751 394 L CB -1.101 40.458 42.059 -0.834 0.000 0.889 394 L HN 0.212 nan 8.230 nan 0.000 0.432 395 A N 0.169 122.650 122.820 -0.566 0.000 1.859 395 A HA -0.331 3.990 4.320 0.001 0.000 0.218 395 A C 2.201 179.701 177.584 -0.140 0.000 1.242 395 A CA 3.011 54.898 52.037 -0.251 0.000 0.661 395 A CB -0.999 17.970 19.000 -0.052 0.000 0.842 395 A HN 0.621 nan 8.150 nan 0.000 0.455 396 M N -1.211 118.314 119.600 -0.124 0.000 2.623 396 M HA -0.008 4.472 4.480 0.001 0.000 0.258 396 M C 1.587 177.828 176.300 -0.098 0.000 1.067 396 M CA 1.576 56.825 55.300 -0.086 0.000 1.068 396 M CB -0.607 31.948 32.600 -0.075 0.000 1.409 396 M HN 0.354 nan 8.290 nan 0.000 0.504 397 L N 0.294 121.431 121.223 -0.144 0.000 2.168 397 L HA -0.048 4.293 4.340 0.001 0.000 0.203 397 L C 2.654 179.471 176.870 -0.088 0.000 1.078 397 L CA 1.113 55.877 54.840 -0.127 0.000 0.780 397 L CB -0.281 41.672 42.059 -0.177 0.000 0.939 397 L HN 0.320 nan 8.230 nan 0.000 0.451 398 E N 0.875 121.020 120.200 -0.092 0.000 2.023 398 E HA -0.286 4.065 4.350 0.001 0.000 0.196 398 E C 1.735 178.330 176.600 -0.009 0.000 1.003 398 E CA 1.829 58.213 56.400 -0.027 0.000 0.809 398 E CB -0.138 29.578 29.700 0.028 0.000 0.755 398 E HN 0.327 nan 8.360 nan 0.000 0.449 399 E N 0.850 121.045 120.200 -0.008 0.000 2.124 399 E HA -0.255 4.095 4.350 0.001 0.000 0.244 399 E C -0.006 176.591 176.600 -0.005 0.000 1.019 399 E CA 1.921 58.321 56.400 -0.000 0.000 0.941 399 E CB -0.470 29.226 29.700 -0.008 0.000 0.851 399 E HN 0.551 nan 8.360 nan 0.000 0.537 400 D N 0.230 120.621 120.400 -0.014 0.000 2.193 400 D HA 0.222 4.862 4.640 0.001 0.000 0.244 400 D C -2.358 173.932 176.300 -0.017 0.000 1.064 400 D CA -1.725 52.268 54.000 -0.012 0.000 0.845 400 D CB 1.825 42.619 40.800 -0.010 0.000 1.148 400 D HN -0.046 nan 8.370 nan 0.000 0.464 401 P HA 0.083 nan 4.420 nan 0.000 0.333 401 P C 0.745 178.035 177.300 -0.017 0.000 1.343 401 P CA 1.351 64.441 63.100 -0.017 0.000 0.761 401 P CB 0.164 31.858 31.700 -0.011 0.000 1.701 402 T N -4.617 109.927 114.554 -0.017 0.000 10.732 402 T HA -0.262 4.089 4.350 0.001 0.000 0.396 402 T C 0.299 174.989 174.700 -0.018 0.000 1.605 402 T CA 1.006 63.097 62.100 -0.016 0.000 2.571 402 T CB -2.048 66.813 68.868 -0.011 0.000 2.779 402 T HN 0.349 nan 8.240 nan 0.000 1.025 403 L N 4.013 125.223 121.223 -0.022 0.000 2.462 403 L HA 0.397 4.738 4.340 0.001 0.000 0.283 403 L C 1.024 177.874 176.870 -0.034 0.000 1.166 403 L CA 0.494 55.319 54.840 -0.025 0.000 0.964 403 L CB -0.124 41.915 42.059 -0.033 0.000 1.294 403 L HN 0.757 nan 8.230 nan 0.000 0.449 404 T N 1.876 116.414 114.554 -0.027 0.000 2.828 404 T HA 0.294 4.645 4.350 0.001 0.000 0.290 404 T C -1.440 173.240 174.700 -0.033 0.000 1.019 404 T CA -1.392 60.688 62.100 -0.032 0.000 1.031 404 T CB 0.906 69.758 68.868 -0.026 0.000 1.001 404 T HN 0.420 nan 8.240 nan 0.000 0.531 405 P HA -0.136 nan 4.420 nan 0.000 0.218 405 P C 1.216 178.509 177.300 -0.012 0.000 1.149 405 P CA 0.988 64.062 63.100 -0.044 0.000 0.817 405 P CB -0.035 31.630 31.700 -0.058 0.000 0.785 406 R N -0.063 120.435 120.500 -0.002 0.000 2.200 406 R HA -0.064 4.276 4.340 0.001 0.000 0.234 406 R C 1.492 177.860 176.300 0.112 0.000 1.127 406 R CA 1.124 57.239 56.100 0.025 0.000 0.989 406 R CB -1.205 29.090 30.300 -0.008 0.000 0.869 406 R HN 0.126 nan 8.270 nan 0.000 0.459 407 D N 0.848 121.301 120.400 0.089 0.000 2.363 407 D HA 0.123 4.764 4.640 0.001 0.000 0.226 407 D C 0.388 176.818 176.300 0.217 0.000 1.020 407 D CA 0.566 54.658 54.000 0.154 0.000 0.892 407 D CB 0.209 41.046 40.800 0.061 0.000 0.900 407 D HN 0.276 nan 8.370 nan 0.000 0.531 408 I N 0.694 121.327 120.570 0.106 0.000 2.648 408 I HA 0.433 4.604 4.170 0.001 0.000 0.304 408 I C -0.164 175.838 176.117 -0.191 0.000 1.009 408 I CA -0.917 60.365 61.300 -0.030 0.000 1.114 408 I CB 2.778 40.729 38.000 -0.082 0.000 1.293 408 I HN -0.281 nan 8.210 nan 0.000 0.449 409 I N 4.655 125.014 120.570 -0.353 0.000 2.649 409 I HA 0.401 4.572 4.170 0.001 0.000 0.289 409 I C -1.641 174.279 176.117 -0.329 0.000 1.222 409 I CA -0.525 60.470 61.300 -0.508 0.000 1.046 409 I CB 1.863 39.163 38.000 -1.166 0.000 1.272 409 I HN 0.226 nan 8.210 nan 0.000 0.425 410 V N 7.691 127.458 119.914 -0.244 0.000 2.378 410 V HA 0.521 4.641 4.120 0.001 0.000 0.288 410 V C -0.051 175.935 176.094 -0.179 0.000 1.016 410 V CA -0.423 61.757 62.300 -0.200 0.000 0.840 410 V CB 1.444 33.156 31.823 -0.186 0.000 0.994 410 V HN 0.664 nan 8.190 nan 0.000 0.431 411 M N 5.375 124.872 119.600 -0.172 0.000 2.456 411 M HA 0.814 5.295 4.480 0.001 0.000 0.324 411 M C -0.732 175.478 176.300 -0.151 0.000 1.124 411 M CA -0.880 54.335 55.300 -0.142 0.000 0.959 411 M CB 2.308 34.831 32.600 -0.129 0.000 1.692 411 M HN 0.559 nan 8.290 nan 0.000 0.444 412 V N -0.685 119.154 119.914 -0.125 0.000 3.040 412 V HA 0.787 4.907 4.120 0.001 0.000 0.312 412 V C 0.536 176.655 176.094 0.042 0.000 1.115 412 V CA -0.629 61.591 62.300 -0.133 0.000 0.998 412 V CB 1.052 32.646 31.823 -0.381 0.000 1.042 412 V HN 1.006 nan 8.190 nan 0.000 0.433 413 A N 1.142 124.050 122.820 0.146 0.000 1.849 413 A HA -0.133 4.188 4.320 0.001 0.000 0.217 413 A C 1.102 178.774 177.584 0.148 0.000 1.202 413 A CA 2.503 54.668 52.037 0.214 0.000 0.629 413 A CB -0.613 18.527 19.000 0.235 0.000 0.834 413 A HN 1.130 nan 8.150 nan 0.000 0.447 414 D N -1.504 119.008 120.400 0.186 0.000 2.464 414 D HA 0.363 5.004 4.640 0.001 0.000 0.243 414 D C 0.330 176.744 176.300 0.191 0.000 1.104 414 D CA -0.609 53.480 54.000 0.148 0.000 0.883 414 D CB 0.527 41.398 40.800 0.118 0.000 1.050 414 D HN 0.055 nan 8.370 nan 0.000 0.524 415 I N 2.985 123.625 120.570 0.117 0.000 2.700 415 I HA -0.133 4.038 4.170 0.001 0.000 0.261 415 I C 1.215 177.387 176.117 0.091 0.000 1.219 415 I CA 1.263 62.626 61.300 0.105 0.000 1.463 415 I CB 0.035 38.062 38.000 0.045 0.000 1.092 415 I HN 0.404 nan 8.210 nan 0.000 0.452 416 D N -0.282 120.155 120.400 0.061 0.000 2.103 416 D HA -0.084 4.556 4.640 0.001 0.000 0.199 416 D C 2.050 178.336 176.300 -0.023 0.000 0.978 416 D CA 1.675 55.685 54.000 0.016 0.000 0.829 416 D CB -0.074 40.729 40.800 0.004 0.000 0.981 416 D HN 0.478 nan 8.370 nan 0.000 0.464 417 S N -0.803 114.884 115.700 -0.022 0.000 2.701 417 S HA -0.022 4.449 4.470 0.001 0.000 0.220 417 S C 1.202 175.635 174.600 -0.278 0.000 0.954 417 S CA 0.018 58.131 58.200 -0.145 0.000 0.936 417 S CB -0.212 62.910 63.200 -0.131 0.000 0.777 417 S HN 0.223 nan 8.310 nan 0.000 0.518 418 Y N 0.420 120.675 120.300 -0.075 0.000 2.467 418 Y HA 0.333 4.883 4.550 0.001 0.000 0.259 418 Y C 2.625 178.478 175.900 -0.079 0.000 1.084 418 Y CA 0.015 58.100 58.100 -0.025 0.000 1.275 418 Y CB -0.168 38.313 38.460 0.036 0.000 1.208 418 Y HN 0.356 nan 8.280 nan 0.000 0.511 419 S N 0.874 116.592 115.700 0.029 0.000 2.372 419 S HA -0.180 4.291 4.470 0.001 0.000 0.227 419 S C -0.684 173.878 174.600 -0.064 0.000 1.044 419 S CA 2.200 60.393 58.200 -0.012 0.000 1.050 419 S CB -1.028 62.160 63.200 -0.019 0.000 0.901 419 S HN 0.248 nan 8.310 nan 0.000 0.447 420 P HA -0.105 nan 4.420 nan 0.000 0.213 420 P C 1.137 178.415 177.300 -0.036 0.000 1.170 420 P CA 1.454 64.430 63.100 -0.206 0.000 0.902 420 P CB -0.279 31.134 31.700 -0.477 0.000 0.789 421 F N -0.716 119.240 119.950 0.009 0.000 2.069 421 F HA -0.219 4.309 4.527 0.002 0.000 0.298 421 F C 2.395 178.208 175.800 0.021 0.000 1.113 421 F CA 0.392 58.409 58.000 0.029 0.000 1.214 421 F CB -0.954 38.074 39.000 0.047 0.000 0.978 421 F HN -0.179 nan 8.300 nan 0.000 0.474 422 I N 0.621 121.294 120.570 0.171 0.000 2.113 422 I HA -0.376 3.795 4.170 0.001 0.000 0.242 422 I C 2.341 178.327 176.117 -0.218 0.000 1.064 422 I CA 1.853 63.096 61.300 -0.095 0.000 1.320 422 I CB -1.630 36.243 38.000 -0.211 0.000 1.028 422 I HN 0.345 nan 8.210 nan 0.000 0.406 423 Q N 0.421 120.153 119.800 -0.113 0.000 2.061 423 Q HA -0.184 4.157 4.340 0.001 0.000 0.204 423 Q C 2.449 178.488 176.000 0.066 0.000 0.984 423 Q CA 2.042 57.827 55.803 -0.030 0.000 0.846 423 Q CB -0.299 28.496 28.738 0.094 0.000 0.902 423 Q HN 0.606 nan 8.270 nan 0.000 0.421 424 A N 0.818 123.706 122.820 0.113 0.000 1.852 424 A HA -0.236 4.084 4.320 0.001 0.000 0.217 424 A C 2.352 180.012 177.584 0.127 0.000 1.215 424 A CA 2.411 54.533 52.037 0.141 0.000 0.641 424 A CB -1.447 17.678 19.000 0.209 0.000 0.838 424 A HN 0.398 nan 8.150 nan 0.000 0.450 425 V N -4.211 115.789 119.914 0.144 0.000 2.594 425 V HA -0.096 4.025 4.120 0.001 0.000 0.253 425 V C 1.962 178.066 176.094 0.016 0.000 1.069 425 V CA 1.913 64.261 62.300 0.081 0.000 1.082 425 V CB -1.062 30.816 31.823 0.093 0.000 0.680 425 V HN 0.320 nan 8.190 nan 0.000 0.469 426 F N 2.445 122.313 119.950 -0.136 0.000 2.816 426 F HA 0.472 5.000 4.527 0.001 0.000 0.302 426 F C 1.712 177.587 175.800 0.124 0.000 1.178 426 F CA 0.089 58.046 58.000 -0.072 0.000 1.421 426 F CB -0.543 38.199 39.000 -0.430 0.000 1.114 426 F HN 0.327 nan 8.300 nan 0.000 0.573 427 G N 0.330 109.226 108.800 0.160 0.000 3.628 427 G HA2 0.430 4.391 3.960 0.001 0.000 0.328 427 G HA3 0.430 4.391 3.960 0.001 0.000 0.328 427 G C -0.483 174.433 174.900 0.026 0.000 1.200 427 G CA -0.140 45.030 45.100 0.116 0.000 1.364 427 G HN 0.188 nan 8.290 nan 0.000 0.503 428 S N 0.196 115.904 115.700 0.014 0.000 2.627 428 S HA 0.749 5.219 4.470 0.001 0.000 0.283 428 S C 0.286 174.883 174.600 -0.005 0.000 1.127 428 S CA -0.172 58.005 58.200 -0.038 0.000 0.863 428 S CB 1.551 64.655 63.200 -0.160 0.000 1.121 428 S HN 1.834 nan 8.310 nan 0.000 0.479 429 A N 3.076 125.885 122.820 -0.017 0.000 1.910 429 A HA 0.056 4.376 4.320 0.001 0.000 0.339 429 A C -0.435 177.161 177.584 0.020 0.000 0.767 429 A CA 0.444 52.481 52.037 -0.001 0.000 1.520 429 A CB -1.121 17.893 19.000 0.024 0.000 0.618 429 A HN 0.783 nan 8.150 nan 0.000 0.216 430 P HA -0.265 nan 4.420 nan 0.000 0.209 430 P C 1.067 178.386 177.300 0.033 0.000 1.167 430 P CA 2.243 65.303 63.100 -0.067 0.000 0.941 430 P CB -0.082 31.577 31.700 -0.068 0.000 0.787 431 A N -0.067 122.776 122.820 0.037 0.000 2.251 431 A HA 0.103 4.424 4.320 0.001 0.000 0.277 431 A C 1.191 178.831 177.584 0.093 0.000 1.313 431 A CA 0.915 52.990 52.037 0.064 0.000 0.813 431 A CB -1.158 17.866 19.000 0.039 0.000 1.210 431 A HN 0.467 nan 8.150 nan 0.000 0.509 432 D N -1.246 119.203 120.400 0.081 0.000 4.132 432 D HA -0.420 4.221 4.640 0.001 0.000 0.405 432 D C 1.235 177.600 176.300 0.109 0.000 0.534 432 D CA 2.382 56.435 54.000 0.089 0.000 1.053 432 D CB -0.800 40.053 40.800 0.087 0.000 0.375 432 D HN 0.590 nan 8.370 nan 0.000 0.272 433 R N -1.181 119.397 120.500 0.129 0.000 2.228 433 R HA -0.193 4.148 4.340 0.001 0.000 0.259 433 R C 0.606 177.019 176.300 0.189 0.000 1.183 433 R CA 1.439 57.630 56.100 0.152 0.000 1.002 433 R CB -0.602 29.786 30.300 0.148 0.000 0.879 433 R HN 0.447 nan 8.270 nan 0.000 0.467 434 Y N 0.890 121.223 120.300 0.055 0.000 2.411 434 Y HA 0.219 4.769 4.550 0.001 0.000 0.333 434 Y C -0.710 175.208 175.900 0.030 0.000 1.186 434 Y CA -0.700 57.440 58.100 0.066 0.000 1.381 434 Y CB 0.529 39.027 38.460 0.063 0.000 1.273 434 Y HN -0.029 nan 8.280 nan 0.000 0.546 435 L N 5.727 126.389 121.223 -0.935 0.000 2.516 435 L HA 0.626 4.966 4.340 0.001 0.000 0.267 435 L C -3.051 173.332 176.870 -0.811 0.000 0.957 435 L CA -2.451 51.955 54.840 -0.722 0.000 0.860 435 L CB 1.194 42.976 42.059 -0.461 0.000 1.265 435 L HN 0.342 nan 8.230 nan 0.000 0.403 436 P HA 0.239 nan 4.420 nan 0.000 0.270 436 P C -1.455 175.951 177.300 0.175 0.000 1.221 436 P CA 0.451 63.497 63.100 -0.090 0.000 0.788 436 P CB 0.138 31.828 31.700 -0.017 0.000 0.904 437 Y N -1.833 118.522 120.300 0.093 0.000 2.624 437 Y HA 0.777 5.328 4.550 0.001 0.000 0.334 437 Y C -1.877 174.020 175.900 -0.006 0.000 1.155 437 Y CA -1.675 56.437 58.100 0.020 0.000 1.046 437 Y CB 0.758 39.159 38.460 -0.098 0.000 1.316 437 Y HN 0.497 nan 8.280 nan 0.000 0.457 438 A N 3.436 126.227 122.820 -0.048 0.000 2.414 438 A HA 0.706 5.026 4.320 0.001 0.000 0.286 438 A C -1.478 176.135 177.584 0.048 0.000 1.073 438 A CA -0.667 51.319 52.037 -0.086 0.000 0.727 438 A CB 0.529 19.495 19.000 -0.056 0.000 1.215 438 A HN 0.747 nan 8.150 nan 0.000 0.430 439 I N 1.904 122.517 120.570 0.072 0.000 2.428 439 I HA 0.463 4.633 4.170 0.001 0.000 0.289 439 I C 0.296 176.456 176.117 0.072 0.000 1.019 439 I CA 0.043 61.392 61.300 0.081 0.000 1.351 439 I CB 1.696 39.749 38.000 0.089 0.000 1.412 439 I HN 0.572 nan 8.210 nan 0.000 0.513 440 S N 3.375 119.121 115.700 0.077 0.000 2.569 440 S HA 0.419 4.890 4.470 0.001 0.000 0.280 440 S C -0.511 174.100 174.600 0.019 0.000 1.111 440 S CA -0.515 57.726 58.200 0.068 0.000 0.887 440 S CB 2.010 65.292 63.200 0.136 0.000 1.095 440 S HN 0.778 nan 8.310 nan 0.000 0.476 441 D N -0.011 120.387 120.400 -0.003 0.000 3.044 441 D HA -0.106 4.534 4.640 0.001 0.000 0.206 441 D C -0.029 176.274 176.300 0.006 0.000 1.053 441 D CA 0.727 54.716 54.000 -0.019 0.000 0.990 441 D CB -0.527 40.249 40.800 -0.039 0.000 1.078 441 D HN 0.420 nan 8.370 nan 0.000 0.433 442 R N 0.581 121.094 120.500 0.022 0.000 2.649 442 R HA 0.480 4.821 4.340 0.001 0.000 0.270 442 R C 0.970 177.291 176.300 0.035 0.000 1.105 442 R CA -0.245 55.872 56.100 0.029 0.000 1.193 442 R CB 0.922 31.243 30.300 0.035 0.000 1.120 442 R HN 0.056 nan 8.270 nan 0.000 0.561 443 R N 0.010 120.533 120.500 0.038 0.000 2.486 443 R HA 0.280 4.620 4.340 0.001 0.000 0.286 443 R C 0.988 177.334 176.300 0.075 0.000 0.999 443 R CA -0.201 55.924 56.100 0.041 0.000 0.993 443 R CB 1.150 31.467 30.300 0.028 0.000 1.084 443 R HN 0.703 nan 8.270 nan 0.000 0.487 444 A N 2.744 125.601 122.820 0.062 0.000 1.873 444 A HA -0.209 4.111 4.320 0.001 0.000 0.218 444 A C 2.108 179.772 177.584 0.133 0.000 1.193 444 A CA 1.292 53.370 52.037 0.067 0.000 0.629 444 A CB -0.382 18.600 19.000 -0.030 0.000 0.826 444 A HN 0.703 nan 8.150 nan 0.000 0.447 445 R N -0.652 119.893 120.500 0.074 0.000 2.103 445 R HA -0.147 4.193 4.340 0.001 0.000 0.234 445 R C 1.823 178.168 176.300 0.075 0.000 1.132 445 R CA 1.736 57.877 56.100 0.070 0.000 0.925 445 R CB -0.568 29.756 30.300 0.040 0.000 0.842 445 R HN 0.582 nan 8.270 nan 0.000 0.430 446 Q N 0.253 120.083 119.800 0.050 0.000 2.594 446 Q HA -0.044 4.297 4.340 0.001 0.000 0.219 446 Q C 0.904 176.913 176.000 0.014 0.000 0.980 446 Q CA 0.814 56.629 55.803 0.021 0.000 0.962 446 Q CB 0.098 28.840 28.738 0.005 0.000 0.987 446 Q HN 0.350 nan 8.270 nan 0.000 0.553 447 S N -1.955 113.780 115.700 0.058 0.000 3.082 447 S HA 0.240 4.710 4.470 0.001 0.000 0.253 447 S C -0.542 173.864 174.600 -0.323 0.000 0.961 447 S CA -0.694 57.470 58.200 -0.061 0.000 1.129 447 S CB 0.060 63.245 63.200 -0.025 0.000 1.083 447 S HN 0.286 nan 8.310 nan 0.000 0.605 448 H N 0.417 119.473 119.070 -0.024 0.000 3.083 448 H HA 0.429 4.986 4.556 0.001 0.000 0.339 448 H C -2.480 172.821 175.328 -0.045 0.000 1.020 448 H CA -0.880 55.147 56.048 -0.035 0.000 1.360 448 H CB 1.656 31.396 29.762 -0.035 0.000 1.811 448 H HN -0.027 nan 8.280 nan 0.000 0.493 449 P HA -0.274 nan 4.420 nan 0.000 0.201 449 P C 1.699 178.979 177.300 -0.033 0.000 1.046 449 P CA 1.339 64.422 63.100 -0.027 0.000 0.942 449 P CB 0.066 31.732 31.700 -0.057 0.000 0.733 450 V N -0.873 118.973 119.914 -0.113 0.000 2.311 450 V HA -0.322 3.799 4.120 0.001 0.000 0.259 450 V C 2.169 178.233 176.094 -0.049 0.000 1.086 450 V CA 2.050 64.215 62.300 -0.226 0.000 1.078 450 V CB -1.291 30.281 31.823 -0.418 0.000 0.668 450 V HN -0.039 nan 8.190 nan 0.000 0.452 451 L N 0.190 121.421 121.223 0.014 0.000 1.941 451 L HA -0.220 4.120 4.340 0.001 0.000 0.224 451 L C 2.693 179.622 176.870 0.098 0.000 1.081 451 L CA 2.734 57.620 54.840 0.076 0.000 0.784 451 L CB -1.254 40.848 42.059 0.072 0.000 0.894 451 L HN 0.374 nan 8.230 nan 0.000 0.436 452 E N -0.740 119.494 120.200 0.057 0.000 2.267 452 E HA -0.215 4.136 4.350 0.001 0.000 0.197 452 E C 2.099 178.716 176.600 0.029 0.000 0.998 452 E CA 1.122 57.540 56.400 0.030 0.000 0.830 452 E CB -0.199 29.506 29.700 0.009 0.000 0.751 452 E HN 0.532 nan 8.360 nan 0.000 0.491 453 A N 0.601 123.459 122.820 0.063 0.000 1.855 453 A HA -0.176 4.144 4.320 0.001 0.000 0.215 453 A C 2.040 179.728 177.584 0.173 0.000 1.191 453 A CA 1.224 53.324 52.037 0.105 0.000 0.613 453 A CB -0.779 18.298 19.000 0.129 0.000 0.829 453 A HN 0.313 nan 8.150 nan 0.000 0.442 454 F N 0.847 120.853 119.950 0.093 0.000 2.102 454 F HA -0.117 4.410 4.527 0.001 0.000 0.298 454 F C 1.913 177.680 175.800 -0.056 0.000 1.105 454 F CA 1.353 59.390 58.000 0.062 0.000 1.239 454 F CB -0.433 38.627 39.000 0.100 0.000 0.991 454 F HN 0.173 nan 8.300 nan 0.000 0.474 455 I N -0.713 119.750 120.570 -0.179 0.000 2.399 455 I HA -0.337 3.834 4.170 0.001 0.000 0.254 455 I C 2.602 178.553 176.117 -0.277 0.000 1.146 455 I CA 1.386 62.515 61.300 -0.284 0.000 1.412 455 I CB -0.671 37.272 38.000 -0.095 0.000 1.076 455 I HN 0.177 nan 8.210 nan 0.000 0.432 456 S N 0.652 116.229 115.700 -0.204 0.000 2.357 456 S HA -0.033 4.437 4.470 0.001 0.000 0.221 456 S C 1.955 176.385 174.600 -0.282 0.000 1.031 456 S CA 0.956 59.036 58.200 -0.199 0.000 0.982 456 S CB -0.125 62.992 63.200 -0.138 0.000 0.853 456 S HN 0.307 nan 8.310 nan 0.000 0.458 457 L N 1.187 122.201 121.223 -0.350 0.000 2.191 457 L HA -0.044 4.297 4.340 0.001 0.000 0.212 457 L C 1.577 178.201 176.870 -0.411 0.000 1.103 457 L CA 0.444 55.009 54.840 -0.458 0.000 0.769 457 L CB -0.259 41.415 42.059 -0.642 0.000 0.908 457 L HN 0.290 nan 8.230 nan 0.000 0.438 458 L N -0.976 119.959 121.223 -0.481 0.000 2.675 458 L HA -0.032 4.308 4.340 0.001 0.000 0.238 458 L C 1.570 178.317 176.870 -0.206 0.000 1.155 458 L CA 1.210 55.823 54.840 -0.379 0.000 0.881 458 L CB -0.786 40.970 42.059 -0.504 0.000 1.008 458 L HN 0.122 nan 8.230 nan 0.000 0.443 459 S N -1.771 113.808 115.700 -0.201 0.000 2.629 459 S HA 0.211 4.681 4.470 0.001 0.000 0.236 459 S C 1.715 176.236 174.600 -0.131 0.000 1.010 459 S CA -0.373 57.740 58.200 -0.143 0.000 0.981 459 S CB 0.507 63.612 63.200 -0.158 0.000 0.919 459 S HN 0.233 nan 8.310 nan 0.000 0.514 460 L N 2.478 123.627 121.223 -0.124 0.000 1.997 460 L HA -0.099 4.242 4.340 0.001 0.000 0.216 460 L C -0.654 176.255 176.870 0.066 0.000 1.074 460 L CA 1.524 56.319 54.840 -0.074 0.000 0.763 460 L CB -1.725 40.373 42.059 0.064 0.000 0.890 460 L HN 0.202 nan 8.230 nan 0.000 0.434 461 P HA -0.150 nan 4.420 nan 0.000 0.234 461 P C 0.135 177.490 177.300 0.091 0.000 1.162 461 P CA 1.434 64.613 63.100 0.131 0.000 0.759 461 P CB 0.028 31.809 31.700 0.135 0.000 0.813 462 D N -1.774 118.650 120.400 0.040 0.000 2.448 462 D HA 0.018 4.659 4.640 0.001 0.000 0.256 462 D C 0.653 176.944 176.300 -0.015 0.000 1.108 462 D CA 0.165 54.172 54.000 0.012 0.000 0.848 462 D CB 0.350 41.138 40.800 -0.020 0.000 1.281 462 D HN 0.068 nan 8.370 nan 0.000 0.509 463 S N 0.463 116.122 115.700 -0.069 0.000 2.568 463 S HA 0.109 4.580 4.470 0.001 0.000 0.282 463 S C 1.164 175.765 174.600 0.003 0.000 1.338 463 S CA -0.074 58.023 58.200 -0.171 0.000 1.045 463 S CB 1.305 64.184 63.200 -0.535 0.000 0.873 463 S HN 0.015 nan 8.310 nan 0.000 0.516 464 R N 1.908 122.381 120.500 -0.045 0.000 2.280 464 R HA 0.254 4.594 4.340 0.001 0.000 0.195 464 R C -0.169 176.268 176.300 0.228 0.000 0.935 464 R CA 0.228 56.333 56.100 0.009 0.000 1.033 464 R CB -0.141 30.029 30.300 -0.215 0.000 0.964 464 R HN 0.774 nan 8.270 nan 0.000 0.489 465 F N -1.141 118.805 119.950 -0.007 0.000 3.043 465 F HA -0.235 4.292 4.527 0.001 0.000 0.290 465 F C -0.068 175.876 175.800 0.240 0.000 0.844 465 F CA -0.085 57.972 58.000 0.095 0.000 1.184 465 F CB -2.037 37.041 39.000 0.130 0.000 1.246 465 F HN -0.236 nan 8.300 nan 0.000 0.536 466 V N 0.965 120.985 119.914 0.176 0.000 2.843 466 V HA -0.148 3.973 4.120 0.001 0.000 0.305 466 V C 1.589 177.857 176.094 0.289 0.000 1.120 466 V CA 0.912 63.302 62.300 0.150 0.000 1.254 466 V CB 0.942 32.774 31.823 0.015 0.000 0.901 466 V HN 0.584 nan 8.190 nan 0.000 0.503 467 S N 3.600 119.442 115.700 0.237 0.000 2.427 467 S HA -0.283 4.188 4.470 0.001 0.000 0.231 467 S C 1.634 176.384 174.600 0.250 0.000 1.045 467 S CA 1.576 59.910 58.200 0.224 0.000 1.154 467 S CB -0.540 62.664 63.200 0.008 0.000 1.093 467 S HN 0.798 nan 8.310 nan 0.000 0.422 468 E N 1.698 121.975 120.200 0.128 0.000 2.208 468 E HA -0.195 4.156 4.350 0.001 0.000 0.202 468 E C 1.800 178.458 176.600 0.097 0.000 1.014 468 E CA 1.368 57.827 56.400 0.097 0.000 0.819 468 E CB -0.671 29.058 29.700 0.050 0.000 0.735 468 E HN 0.591 nan 8.360 nan 0.000 0.469 469 D N -0.291 120.166 120.400 0.095 0.000 2.084 469 D HA -0.122 4.519 4.640 0.001 0.000 0.194 469 D C 2.175 178.496 176.300 0.036 0.000 0.990 469 D CA 1.103 55.124 54.000 0.035 0.000 0.826 469 D CB -0.322 40.468 40.800 -0.017 0.000 0.971 469 D HN 0.081 nan 8.370 nan 0.000 0.453 470 V N 1.603 121.585 119.914 0.114 0.000 2.261 470 V HA -0.227 3.894 4.120 0.001 0.000 0.246 470 V C 2.763 178.899 176.094 0.069 0.000 1.047 470 V CA 1.217 63.538 62.300 0.036 0.000 1.015 470 V CB -0.694 31.110 31.823 -0.031 0.000 0.642 470 V HN 0.163 nan 8.190 nan 0.000 0.446 471 L N 0.329 121.668 121.223 0.192 0.000 2.189 471 L HA -0.205 4.135 4.340 0.001 0.000 0.214 471 L C 2.692 179.606 176.870 0.073 0.000 1.097 471 L CA 1.422 56.352 54.840 0.148 0.000 0.764 471 L CB -0.816 41.345 42.059 0.169 0.000 0.900 471 L HN 0.384 nan 8.230 nan 0.000 0.436 472 A N -0.153 122.700 122.820 0.055 0.000 1.933 472 A HA -0.175 4.146 4.320 0.001 0.000 0.218 472 A C 2.118 179.713 177.584 0.017 0.000 1.175 472 A CA 1.357 53.410 52.037 0.026 0.000 0.628 472 A CB -0.501 18.505 19.000 0.010 0.000 0.814 472 A HN 0.274 nan 8.150 nan 0.000 0.444 473 L N -0.465 120.760 121.223 0.003 0.000 2.127 473 L HA -0.116 4.224 4.340 0.001 0.000 0.211 473 L C 2.301 179.193 176.870 0.037 0.000 1.089 473 L CA 1.244 56.087 54.840 0.005 0.000 0.757 473 L CB -0.583 41.448 42.059 -0.047 0.000 0.899 473 L HN 0.373 nan 8.230 nan 0.000 0.434 474 L N -1.004 120.236 121.223 0.028 0.000 2.291 474 L HA -0.149 4.191 4.340 0.001 0.000 0.214 474 L C 1.534 178.432 176.870 0.047 0.000 1.120 474 L CA 0.586 55.449 54.840 0.039 0.000 0.799 474 L CB -0.422 41.657 42.059 0.034 0.000 0.925 474 L HN 0.262 nan 8.230 nan 0.000 0.446 475 D N -0.250 120.173 120.400 0.038 0.000 2.378 475 D HA -0.016 4.625 4.640 0.001 0.000 0.227 475 D C 0.431 176.750 176.300 0.031 0.000 1.012 475 D CA 0.514 54.532 54.000 0.030 0.000 0.905 475 D CB 0.342 41.154 40.800 0.020 0.000 0.895 475 D HN 0.082 nan 8.370 nan 0.000 0.532 476 V N 2.437 122.381 119.914 0.051 0.000 2.304 476 V HA 0.062 4.183 4.120 0.001 0.000 0.262 476 V C -1.352 174.783 176.094 0.069 0.000 1.061 476 V CA -1.315 61.015 62.300 0.051 0.000 0.872 476 V CB 1.288 33.161 31.823 0.084 0.000 1.077 476 V HN -0.120 nan 8.190 nan 0.000 0.480 477 P HA -0.288 nan 4.420 nan 0.000 0.218 477 P C 1.809 179.154 177.300 0.074 0.000 1.132 477 P CA 1.732 64.856 63.100 0.040 0.000 0.968 477 P CB 0.079 31.784 31.700 0.009 0.000 0.783 478 V N -1.069 118.877 119.914 0.054 0.000 2.324 478 V HA -0.253 3.868 4.120 0.001 0.000 0.250 478 V C 2.453 178.734 176.094 0.310 0.000 1.060 478 V CA 1.972 64.336 62.300 0.107 0.000 1.042 478 V CB -1.240 30.556 31.823 -0.045 0.000 0.650 478 V HN 0.127 nan 8.190 nan 0.000 0.450 479 L N -0.331 121.139 121.223 0.411 0.000 2.109 479 L HA -0.068 4.273 4.340 0.001 0.000 0.207 479 L C 2.525 179.622 176.870 0.377 0.000 1.086 479 L CA 1.540 56.692 54.840 0.519 0.000 0.760 479 L CB -0.464 41.890 42.059 0.491 0.000 0.910 479 L HN 0.309 nan 8.230 nan 0.000 0.437 480 A N -0.040 122.920 122.820 0.233 0.000 1.858 480 A HA -0.188 4.133 4.320 0.001 0.000 0.216 480 A C 2.467 180.156 177.584 0.176 0.000 1.190 480 A CA 1.702 53.843 52.037 0.173 0.000 0.617 480 A CB -1.127 17.929 19.000 0.094 0.000 0.827 480 A HN 0.535 nan 8.150 nan 0.000 0.443 481 A N -0.678 122.217 122.820 0.124 0.000 1.927 481 A HA -0.249 4.072 4.320 0.001 0.000 0.220 481 A C 2.207 179.822 177.584 0.052 0.000 1.185 481 A CA 1.912 53.988 52.037 0.065 0.000 0.639 481 A CB -0.574 18.458 19.000 0.053 0.000 0.820 481 A HN 0.369 nan 8.150 nan 0.000 0.451 482 R N -1.490 119.079 120.500 0.115 0.000 2.293 482 R HA -0.062 4.278 4.340 0.001 0.000 0.219 482 R C -0.292 175.814 176.300 -0.325 0.000 1.091 482 R CA 0.874 56.946 56.100 -0.048 0.000 1.004 482 R CB -0.440 29.884 30.300 0.040 0.000 0.865 482 R HN 0.546 nan 8.270 nan 0.000 0.469 483 F N 0.288 120.213 119.950 -0.042 0.000 2.814 483 F HA 0.243 4.770 4.527 0.001 0.000 0.326 483 F C -0.087 175.565 175.800 -0.248 0.000 1.159 483 F CA -1.074 56.888 58.000 -0.064 0.000 1.234 483 F CB 0.424 39.420 39.000 -0.007 0.000 1.016 483 F HN -0.109 nan 8.300 nan 0.000 0.510 484 D N 2.231 122.536 120.400 -0.158 0.000 2.740 484 D HA -0.210 4.431 4.640 0.001 0.000 0.231 484 D C -0.147 175.913 176.300 -0.399 0.000 1.194 484 D CA 0.869 54.668 54.000 -0.335 0.000 0.673 484 D CB -0.532 39.957 40.800 -0.519 0.000 0.995 484 D HN 0.280 nan 8.370 nan 0.000 0.411 485 I N 0.849 121.339 120.570 -0.133 0.000 2.436 485 I HA 0.184 4.355 4.170 0.001 0.000 0.289 485 I C 0.946 177.050 176.117 -0.023 0.000 1.010 485 I CA -0.517 60.745 61.300 -0.062 0.000 1.098 485 I CB 1.975 39.985 38.000 0.017 0.000 1.266 485 I HN -0.102 nan 8.210 nan 0.000 0.434 486 T N 0.763 115.305 114.554 -0.020 0.000 2.952 486 T HA 0.279 4.630 4.350 0.001 0.000 0.286 486 T C 0.799 175.505 174.700 0.009 0.000 1.024 486 T CA -0.692 61.406 62.100 -0.005 0.000 1.029 486 T CB 2.423 71.287 68.868 -0.008 0.000 1.094 486 T HN 0.481 nan 8.240 nan 0.000 0.515 487 E N 0.121 120.330 120.200 0.015 0.000 2.204 487 E HA -0.166 4.185 4.350 0.001 0.000 0.195 487 E C 1.758 178.377 176.600 0.032 0.000 0.990 487 E CA 0.906 57.319 56.400 0.021 0.000 0.821 487 E CB -0.004 29.706 29.700 0.018 0.000 0.750 487 E HN 0.710 nan 8.360 nan 0.000 0.477 488 E N -0.147 120.074 120.200 0.035 0.000 2.007 488 E HA -0.125 4.226 4.350 0.001 0.000 0.194 488 E C 2.032 178.685 176.600 0.088 0.000 0.999 488 E CA 1.306 57.744 56.400 0.064 0.000 0.811 488 E CB -0.604 29.121 29.700 0.041 0.000 0.762 488 E HN 0.321 nan 8.360 nan 0.000 0.450 489 G N 1.901 110.708 108.800 0.012 0.000 2.422 489 G HA2 -0.245 3.715 3.960 0.001 0.000 0.218 489 G HA3 -0.245 3.715 3.960 0.001 0.000 0.218 489 G C 1.814 176.711 174.900 -0.006 0.000 1.146 489 G CA 0.690 45.764 45.100 -0.042 0.000 0.769 489 G HN 0.289 nan 8.290 nan 0.000 0.547 490 L N 0.039 121.268 121.223 0.010 0.000 2.051 490 L HA -0.172 4.169 4.340 0.001 0.000 0.214 490 L C 3.185 180.048 176.870 -0.012 0.000 1.076 490 L CA 1.535 56.378 54.840 0.004 0.000 0.758 490 L CB -0.223 41.847 42.059 0.018 0.000 0.890 490 L HN 0.234 nan 8.230 nan 0.000 0.433 491 R N -1.658 118.853 120.500 0.020 0.000 2.170 491 R HA -0.226 4.114 4.340 0.001 0.000 0.242 491 R C 1.996 178.221 176.300 -0.124 0.000 1.145 491 R CA 1.729 57.816 56.100 -0.022 0.000 0.984 491 R CB -0.362 29.938 30.300 0.000 0.000 0.869 491 R HN 0.397 nan 8.270 nan 0.000 0.455 492 Y N 0.410 120.495 120.300 -0.358 0.000 2.177 492 Y HA -0.043 4.507 4.550 0.001 0.000 0.291 492 Y C 2.246 177.526 175.900 -1.033 0.000 1.117 492 Y CA 0.793 58.443 58.100 -0.751 0.000 1.114 492 Y CB -0.614 37.255 38.460 -0.986 0.000 1.017 492 Y HN -0.120 nan 8.280 nan 0.000 0.505 493 L N -0.106 120.760 121.223 -0.596 0.000 2.010 493 L HA -0.362 3.978 4.340 0.001 0.000 0.219 493 L C 2.585 179.398 176.870 -0.094 0.000 1.077 493 L CA 2.085 56.762 54.840 -0.272 0.000 0.773 493 L CB -0.687 41.347 42.059 -0.041 0.000 0.892 493 L HN 0.160 nan 8.230 nan 0.000 0.436 494 R N -0.146 120.308 120.500 -0.077 0.000 2.103 494 R HA -0.264 4.077 4.340 0.001 0.000 0.242 494 R C 2.389 178.678 176.300 -0.018 0.000 1.142 494 R CA 2.105 58.194 56.100 -0.018 0.000 0.960 494 R CB -0.211 30.077 30.300 -0.019 0.000 0.858 494 R HN 0.463 nan 8.270 nan 0.000 0.439 495 Q N -0.645 119.112 119.800 -0.071 0.000 2.020 495 Q HA -0.160 4.180 4.340 0.001 0.000 0.198 495 Q C 1.616 177.732 176.000 0.193 0.000 0.974 495 Q CA 1.422 57.242 55.803 0.028 0.000 0.829 495 Q CB -0.147 28.591 28.738 0.000 0.000 0.894 495 Q HN 0.396 nan 8.270 nan 0.000 0.433 496 W N 0.409 121.770 121.300 0.100 0.000 2.335 496 W HA -0.156 4.505 4.660 0.001 0.000 0.311 496 W C 2.234 178.633 176.519 -0.201 0.000 1.213 496 W CA 0.472 57.830 57.345 0.022 0.000 1.274 496 W CB -1.238 28.334 29.460 0.186 0.000 1.148 496 W HN 0.075 nan 8.180 nan 0.000 0.498 497 V N 1.291 121.280 119.914 0.124 0.000 2.282 497 V HA -0.367 3.753 4.120 0.001 0.000 0.249 497 V C 2.412 178.436 176.094 -0.116 0.000 1.057 497 V CA 2.422 64.688 62.300 -0.056 0.000 1.032 497 V CB -1.066 30.720 31.823 -0.062 0.000 0.645 497 V HN 0.197 nan 8.190 nan 0.000 0.447 498 N N 0.521 119.193 118.700 -0.046 0.000 2.062 498 N HA -0.182 4.558 4.740 0.001 0.000 0.191 498 N C 1.847 177.330 175.510 -0.046 0.000 1.042 498 N CA 2.023 55.052 53.050 -0.036 0.000 0.845 498 N CB -0.242 38.249 38.487 0.006 0.000 1.024 498 N HN 0.596 nan 8.380 nan 0.000 0.424 499 E N -0.375 119.805 120.200 -0.034 0.000 2.268 499 E HA -0.066 4.284 4.350 0.001 0.000 0.195 499 E C 1.626 178.060 176.600 -0.278 0.000 0.995 499 E CA 1.073 57.449 56.400 -0.041 0.000 0.836 499 E CB -0.036 29.770 29.700 0.177 0.000 0.763 499 E HN 0.532 nan 8.360 nan 0.000 0.491 500 S N -0.877 114.516 115.700 -0.511 0.000 2.527 500 S HA 0.153 4.624 4.470 0.001 0.000 0.222 500 S C 1.590 176.107 174.600 -0.139 0.000 0.985 500 S CA 0.297 58.173 58.200 -0.540 0.000 0.921 500 S CB 0.622 63.461 63.200 -0.603 0.000 0.772 500 S HN 0.339 nan 8.310 nan 0.000 0.529 501 G N 0.921 109.689 108.800 -0.054 0.000 2.148 501 G HA2 -0.173 3.787 3.960 0.001 0.000 0.203 501 G HA3 -0.173 3.787 3.960 0.001 0.000 0.203 501 G C -0.071 174.890 174.900 0.102 0.000 0.993 501 G CA -0.183 44.981 45.100 0.107 0.000 0.661 501 G HN 0.524 nan 8.290 nan 0.000 0.518 502 I N 0.749 121.274 120.570 -0.075 0.000 2.575 502 I HA 0.465 4.636 4.170 0.001 0.000 0.285 502 I C 1.585 177.583 176.117 -0.199 0.000 1.085 502 I CA 0.252 61.413 61.300 -0.232 0.000 1.403 502 I CB 0.870 38.496 38.000 -0.622 0.000 1.409 502 I HN 0.431 nan 8.210 nan 0.000 0.557 503 R N 2.294 122.721 120.500 -0.121 0.000 2.110 503 R HA 0.062 4.402 4.340 0.001 0.000 0.136 503 R C 0.050 176.471 176.300 0.201 0.000 0.787 503 R CA -0.400 55.712 56.100 0.020 0.000 1.827 503 R CB -0.246 30.087 30.300 0.055 0.000 1.418 503 R HN 0.551 nan 8.270 nan 0.000 0.467 504 W N 2.472 123.770 121.300 -0.003 0.000 2.754 504 W HA 0.635 5.296 4.660 0.001 0.000 0.644 504 W C 0.977 177.656 176.519 0.268 0.000 2.068 504 W CA 1.182 58.590 57.345 0.104 0.000 0.953 504 W CB -0.525 28.972 29.460 0.062 0.000 3.251 504 W HN 0.055 nan 8.180 nan 0.000 0.680 505 G N 0.897 110.091 108.800 0.657 0.000 2.537 505 G HA2 0.255 4.216 3.960 0.001 0.000 0.273 505 G HA3 0.255 4.216 3.960 0.001 0.000 0.273 505 G C 0.273 175.428 174.900 0.424 0.000 1.189 505 G CA -0.442 44.949 45.100 0.485 0.000 0.881 505 G HN 0.477 nan 8.290 nan 0.000 0.535 506 I N -0.585 120.024 120.570 0.065 0.000 2.072 506 I HA -0.064 4.107 4.170 0.001 0.000 0.235 506 I C 1.067 177.195 176.117 0.018 0.000 1.058 506 I CA 1.232 62.435 61.300 -0.160 0.000 1.320 506 I CB 0.120 37.498 38.000 -1.037 0.000 1.047 506 I HN 0.377 nan 8.210 nan 0.000 0.397 507 D N -0.384 119.993 120.400 -0.038 0.000 2.496 507 D HA 0.057 4.697 4.640 0.001 0.000 0.283 507 D C 0.390 176.737 176.300 0.078 0.000 1.214 507 D CA -0.096 53.919 54.000 0.026 0.000 1.089 507 D CB 0.607 41.404 40.800 -0.004 0.000 1.141 507 D HN 0.080 nan 8.370 nan 0.000 0.580 508 D N -1.002 119.433 120.400 0.059 0.000 2.463 508 D HA -0.006 4.635 4.640 0.001 0.000 0.237 508 D C 1.007 177.343 176.300 0.060 0.000 1.013 508 D CA 0.486 54.519 54.000 0.055 0.000 0.910 508 D CB 0.129 40.948 40.800 0.031 0.000 1.080 508 D HN 0.224 nan 8.370 nan 0.000 0.498 509 D N 0.328 120.756 120.400 0.047 0.000 2.178 509 D HA -0.149 4.492 4.640 0.001 0.000 0.201 509 D C 1.682 178.022 176.300 0.067 0.000 0.980 509 D CA 0.699 54.727 54.000 0.047 0.000 0.842 509 D CB -0.089 40.731 40.800 0.032 0.000 0.948 509 D HN 0.056 nan 8.370 nan 0.000 0.472 510 N N 0.557 119.299 118.700 0.071 0.000 2.120 510 N HA -0.143 4.597 4.740 0.001 0.000 0.188 510 N C 1.537 177.141 175.510 0.158 0.000 1.024 510 N CA 0.921 54.030 53.050 0.098 0.000 0.852 510 N CB -0.269 38.255 38.487 0.062 0.000 1.003 510 N HN 0.074 nan 8.380 nan 0.000 0.424 511 V N 1.085 121.116 119.914 0.195 0.000 2.307 511 V HA -0.109 4.012 4.120 0.001 0.000 0.245 511 V C 2.548 178.751 176.094 0.181 0.000 1.045 511 V CA 1.585 64.053 62.300 0.279 0.000 1.024 511 V CB -0.474 31.491 31.823 0.237 0.000 0.651 511 V HN 0.318 nan 8.190 nan 0.000 0.449 512 R N -0.041 120.525 120.500 0.109 0.000 2.091 512 R HA -0.188 4.153 4.340 0.001 0.000 0.238 512 R C 2.241 178.589 176.300 0.079 0.000 1.136 512 R CA 1.668 57.815 56.100 0.078 0.000 0.959 512 R CB -0.374 29.956 30.300 0.051 0.000 0.856 512 R HN 0.595 nan 8.270 nan 0.000 0.437 513 E N 0.540 120.789 120.200 0.082 0.000 2.333 513 E HA -0.167 4.184 4.350 0.001 0.000 0.200 513 E C 1.173 177.819 176.600 0.076 0.000 1.010 513 E CA 0.743 57.187 56.400 0.073 0.000 0.841 513 E CB 0.006 29.751 29.700 0.075 0.000 0.757 513 E HN 0.347 nan 8.360 nan 0.000 0.508 514 L N 0.482 121.764 121.223 0.098 0.000 2.685 514 L HA 0.094 4.435 4.340 0.001 0.000 0.233 514 L C -0.161 176.765 176.870 0.092 0.000 1.173 514 L CA -0.019 54.877 54.840 0.093 0.000 0.961 514 L CB -0.171 41.956 42.059 0.114 0.000 1.217 514 L HN 0.041 nan 8.230 nan 0.000 0.478 515 E N 0.708 120.955 120.200 0.080 0.000 2.297 515 E HA -0.214 4.136 4.350 0.001 0.000 0.228 515 E C -0.451 176.198 176.600 0.080 0.000 1.213 515 E CA 0.305 56.744 56.400 0.066 0.000 0.712 515 E CB -1.376 28.355 29.700 0.051 0.000 1.202 515 E HN 0.458 nan 8.360 nan 0.000 0.376 516 L N -0.471 120.815 121.223 0.103 0.000 2.333 516 L HA 0.529 4.870 4.340 0.001 0.000 0.263 516 L C -2.256 174.638 176.870 0.041 0.000 1.014 516 L CA -2.484 52.423 54.840 0.112 0.000 0.820 516 L CB 1.562 43.773 42.059 0.253 0.000 1.352 516 L HN -0.201 nan 8.230 nan 0.000 0.421 517 P HA 0.131 nan 4.420 nan 0.000 0.274 517 P C -0.788 176.413 177.300 -0.164 0.000 1.291 517 P CA -0.256 62.786 63.100 -0.096 0.000 0.815 517 P CB 0.709 32.319 31.700 -0.149 0.000 0.897 518 A N 3.340 126.102 122.820 -0.097 0.000 2.500 518 A HA 0.055 4.376 4.320 0.001 0.000 0.285 518 A C 1.659 179.148 177.584 -0.159 0.000 1.183 518 A CA 0.455 52.428 52.037 -0.105 0.000 0.851 518 A CB -0.555 18.423 19.000 -0.037 0.000 1.091 518 A HN 0.475 nan 8.150 nan 0.000 0.521 519 T N 2.042 116.436 114.554 -0.265 0.000 3.043 519 T HA 0.274 4.625 4.350 0.001 0.000 0.263 519 T C 1.585 176.190 174.700 -0.158 0.000 1.094 519 T CA 1.768 63.709 62.100 -0.266 0.000 1.127 519 T CB -0.458 68.159 68.868 -0.418 0.000 0.905 519 T HN 2.032 nan 8.240 nan 0.000 0.490 520 G N 0.910 109.607 108.800 -0.171 0.000 2.148 520 G HA2 -0.212 3.749 3.960 0.001 0.000 0.254 520 G HA3 -0.212 3.749 3.960 0.001 0.000 0.254 520 G C -0.088 174.629 174.900 -0.305 0.000 0.981 520 G CA 0.410 45.429 45.100 -0.135 0.000 0.670 520 G HN 0.603 nan 8.290 nan 0.000 0.528 521 Q N -1.938 117.546 119.800 -0.526 0.000 2.421 521 Q HA 0.573 4.914 4.340 0.001 0.000 0.280 521 Q C 0.810 176.277 176.000 -0.890 0.000 1.085 521 Q CA -0.864 54.208 55.803 -1.218 0.000 0.807 521 Q CB 1.408 29.325 28.738 -1.368 0.000 1.405 521 Q HN 0.442 nan 8.270 nan 0.000 0.419 522 H N -2.435 116.208 119.070 -0.713 0.000 3.641 522 H HA -0.178 4.379 4.556 0.001 0.000 0.193 522 H C 0.254 175.551 175.328 -0.052 0.000 1.013 522 H CA 1.407 57.304 56.048 -0.253 0.000 1.212 522 H CB -1.885 27.677 29.762 -0.334 0.000 1.089 522 H HN 0.790 nan 8.280 nan 0.000 0.339 523 T N -3.256 111.340 114.554 0.070 0.000 2.770 523 T HA 0.203 4.553 4.350 0.001 0.000 0.281 523 T C 1.369 176.191 174.700 0.204 0.000 0.981 523 T CA -0.031 62.193 62.100 0.207 0.000 0.955 523 T CB 1.032 70.019 68.868 0.198 0.000 1.060 523 T HN 0.216 nan 8.240 nan 0.000 0.531 524 W N 0.094 121.486 121.300 0.155 0.000 2.379 524 W HA 0.142 4.803 4.660 0.001 0.000 0.307 524 W C 3.116 179.702 176.519 0.112 0.000 1.200 524 W CA 0.755 58.175 57.345 0.126 0.000 1.297 524 W CB -0.334 29.172 29.460 0.077 0.000 1.140 524 W HN 0.699 nan 8.180 nan 0.000 0.507 525 R N -0.394 120.299 120.500 0.322 0.000 2.139 525 R HA -0.230 4.111 4.340 0.001 0.000 0.243 525 R C 2.095 178.513 176.300 0.197 0.000 1.145 525 R CA 1.774 58.002 56.100 0.214 0.000 0.976 525 R CB -0.756 29.637 30.300 0.156 0.000 0.866 525 R HN 0.195 nan 8.270 nan 0.000 0.449 526 F N 0.001 119.981 119.950 0.050 0.000 2.022 526 F HA 0.064 4.591 4.527 0.001 0.000 0.293 526 F C 2.202 177.999 175.800 -0.005 0.000 1.142 526 F CA 2.013 60.008 58.000 -0.009 0.000 1.177 526 F CB -1.097 37.851 39.000 -0.086 0.000 0.982 526 F HN 0.061 nan 8.300 nan 0.000 0.473 527 G N 1.528 110.362 108.800 0.058 0.000 2.556 527 G HA2 -0.285 3.675 3.960 0.001 0.000 0.220 527 G HA3 -0.285 3.675 3.960 0.001 0.000 0.220 527 G C 1.653 176.508 174.900 -0.077 0.000 1.156 527 G CA 1.256 46.296 45.100 -0.100 0.000 0.766 527 G HN 0.371 nan 8.290 nan 0.000 0.583 528 L N 0.648 121.907 121.223 0.060 0.000 2.017 528 L HA -0.067 4.274 4.340 0.001 0.000 0.208 528 L C 3.154 180.044 176.870 0.033 0.000 1.073 528 L CA 2.172 57.074 54.840 0.104 0.000 0.745 528 L CB -1.696 40.472 42.059 0.182 0.000 0.894 528 L HN 0.221 nan 8.230 nan 0.000 0.432 529 T N -0.355 114.200 114.554 0.002 0.000 2.635 529 T HA -0.232 4.119 4.350 0.001 0.000 0.267 529 T C 2.011 176.678 174.700 -0.056 0.000 1.040 529 T CA 1.333 63.432 62.100 -0.002 0.000 1.156 529 T CB -0.158 68.713 68.868 0.004 0.000 0.863 529 T HN 0.281 nan 8.240 nan 0.000 0.430 530 R N 0.156 120.529 120.500 -0.210 0.000 2.127 530 R HA -0.017 4.323 4.340 0.001 0.000 0.238 530 R C 2.456 178.746 176.300 -0.017 0.000 1.134 530 R CA 1.290 57.280 56.100 -0.183 0.000 0.975 530 R CB -0.330 29.759 30.300 -0.352 0.000 0.865 530 R HN 0.443 nan 8.270 nan 0.000 0.447 531 M N -0.064 119.536 119.600 0.001 0.000 2.160 531 M HA -0.084 4.397 4.480 0.001 0.000 0.264 531 M C 2.111 178.432 176.300 0.034 0.000 1.073 531 M CA 1.392 56.728 55.300 0.060 0.000 1.142 531 M CB 0.030 32.679 32.600 0.082 0.000 1.358 531 M HN 0.091 nan 8.290 nan 0.000 0.422 532 L N -0.282 120.961 121.223 0.033 0.000 2.156 532 L HA -0.137 4.203 4.340 0.001 0.000 0.208 532 L C 2.298 179.204 176.870 0.060 0.000 1.095 532 L CA 0.391 55.253 54.840 0.036 0.000 0.770 532 L CB -0.422 41.641 42.059 0.007 0.000 0.914 532 L HN 0.364 nan 8.230 nan 0.000 0.439 533 L N -0.052 121.186 121.223 0.025 0.000 2.201 533 L HA -0.082 4.259 4.340 0.001 0.000 0.212 533 L C 2.208 179.062 176.870 -0.027 0.000 1.105 533 L CA 1.656 56.488 54.840 -0.012 0.000 0.775 533 L CB -0.823 41.261 42.059 0.041 0.000 0.913 533 L HN 0.271 nan 8.230 nan 0.000 0.440 534 G N -1.779 107.017 108.800 -0.007 0.000 2.453 534 G HA2 -0.327 3.633 3.960 0.001 0.000 0.215 534 G HA3 -0.327 3.633 3.960 0.001 0.000 0.215 534 G C 1.409 176.278 174.900 -0.052 0.000 1.147 534 G CA 0.410 45.478 45.100 -0.053 0.000 0.802 534 G HN 0.435 nan 8.290 nan 0.000 0.535 535 Y N 2.148 122.371 120.300 -0.128 0.000 2.173 535 Y HA -0.074 4.477 4.550 0.001 0.000 0.282 535 Y C 1.955 177.788 175.900 -0.112 0.000 1.192 535 Y CA 1.093 59.122 58.100 -0.118 0.000 1.176 535 Y CB -0.291 38.114 38.460 -0.091 0.000 0.969 535 Y HN 0.337 nan 8.280 nan 0.000 0.519 536 A N 0.125 122.832 122.820 -0.188 0.000 3.847 536 A HA 0.403 4.723 4.320 0.001 0.000 0.152 536 A C 0.290 177.759 177.584 -0.191 0.000 1.527 536 A CA -0.185 51.684 52.037 -0.280 0.000 1.022 536 A CB -0.627 18.253 19.000 -0.201 0.000 1.715 536 A HN 0.353 nan 8.150 nan 0.000 0.650 537 M N 1.100 120.595 119.600 -0.175 0.000 2.142 537 M HA -0.148 4.332 4.480 0.001 0.000 0.529 537 M C 0.443 176.674 176.300 -0.115 0.000 1.242 537 M CA 0.955 56.171 55.300 -0.140 0.000 0.604 537 M CB -0.352 32.158 32.600 -0.151 0.000 1.931 537 M HN 0.747 nan 8.290 nan 0.000 0.576 538 E N 3.407 123.546 120.200 -0.101 0.000 2.371 538 E HA 0.154 4.504 4.350 0.001 0.000 0.257 538 E C 0.615 177.173 176.600 -0.069 0.000 1.134 538 E CA -0.126 56.218 56.400 -0.093 0.000 0.919 538 E CB 0.969 30.618 29.700 -0.086 0.000 1.025 538 E HN 0.767 nan 8.360 nan 0.000 0.438 539 S N 1.351 117.008 115.700 -0.071 0.000 2.381 539 S HA -0.290 4.181 4.470 0.001 0.000 0.230 539 S C 1.247 175.830 174.600 -0.029 0.000 1.052 539 S CA 1.597 59.770 58.200 -0.046 0.000 1.068 539 S CB -0.732 62.438 63.200 -0.050 0.000 0.918 539 S HN 0.651 nan 8.310 nan 0.000 0.448 540 A N -0.401 122.399 122.820 -0.034 0.000 2.529 540 A HA 0.321 4.642 4.320 0.001 0.000 0.243 540 A C 1.054 178.625 177.584 -0.022 0.000 1.781 540 A CA 0.848 52.869 52.037 -0.027 0.000 0.877 540 A CB -0.388 18.596 19.000 -0.027 0.000 1.601 540 A HN 0.570 nan 8.150 nan 0.000 0.674 541 Q N -2.723 117.066 119.800 -0.019 0.000 2.217 541 Q HA -0.246 4.095 4.340 0.001 0.000 0.170 541 Q C 0.789 176.791 176.000 0.004 0.000 0.597 541 Q CA 2.643 58.439 55.803 -0.012 0.000 1.426 541 Q CB -2.565 26.159 28.738 -0.024 0.000 1.504 541 Q HN 2.667 nan 8.270 nan 0.000 0.860 542 G N 0.802 109.605 108.800 0.004 0.000 2.710 542 G HA2 -0.179 3.782 3.960 0.001 0.000 0.668 542 G HA3 -0.179 3.782 3.960 0.001 0.000 0.668 542 G C -0.472 174.455 174.900 0.046 0.000 1.320 542 G CA -0.035 45.076 45.100 0.017 0.000 0.860 542 G HN 0.516 nan 8.290 nan 0.000 0.538 543 E N -0.156 120.075 120.200 0.051 0.000 2.360 543 E HA 0.392 4.743 4.350 0.001 0.000 0.269 543 E C 0.795 177.491 176.600 0.160 0.000 1.022 543 E CA -0.387 56.062 56.400 0.081 0.000 0.887 543 E CB 1.093 30.817 29.700 0.039 0.000 0.990 543 E HN 0.679 nan 8.360 nan 0.000 0.426 544 W N 3.191 124.480 121.300 -0.019 0.000 2.423 544 W HA 0.009 4.670 4.660 0.001 0.000 0.300 544 W C 0.598 177.114 176.519 -0.004 0.000 1.005 544 W CA 0.711 58.048 57.345 -0.014 0.000 1.314 544 W CB -0.317 29.133 29.460 -0.017 0.000 1.253 544 W HN 0.399 nan 8.180 nan 0.000 0.470 545 Q N 2.074 121.584 119.800 -0.484 0.000 3.006 545 Q HA 0.192 4.532 4.340 0.001 0.000 0.260 545 Q C 0.281 176.144 176.000 -0.228 0.000 1.356 545 Q CA 0.624 56.056 55.803 -0.618 0.000 1.070 545 Q CB -0.017 28.115 28.738 -1.010 0.000 1.507 545 Q HN 0.526 nan 8.270 nan 0.000 0.568 546 S N -1.562 114.070 115.700 -0.113 0.000 3.146 546 S HA -0.152 4.319 4.470 0.001 0.000 0.285 546 S C 0.452 175.074 174.600 0.038 0.000 1.293 546 S CA 0.987 59.167 58.200 -0.034 0.000 1.137 546 S CB -1.377 61.798 63.200 -0.042 0.000 1.357 546 S HN 0.366 nan 8.310 nan 0.000 0.678 547 V N 2.222 122.159 119.914 0.040 0.000 2.513 547 V HA 0.603 4.723 4.120 0.001 0.000 0.299 547 V C 0.087 176.217 176.094 0.060 0.000 1.035 547 V CA -0.810 61.527 62.300 0.063 0.000 0.889 547 V CB 1.892 33.722 31.823 0.012 0.000 0.988 547 V HN 0.379 nan 8.190 nan 0.000 0.440 548 L N 7.544 128.781 121.223 0.025 0.000 2.287 548 L HA 0.577 4.918 4.340 0.001 0.000 0.287 548 L C -2.245 174.632 176.870 0.010 0.000 1.022 548 L CA -2.075 52.786 54.840 0.036 0.000 0.814 548 L CB 2.058 44.147 42.059 0.050 0.000 1.217 548 L HN 0.439 nan 8.230 nan 0.000 0.420 549 P HA -0.062 nan 4.420 nan 0.000 0.266 549 P C -1.411 175.916 177.300 0.045 0.000 1.193 549 P CA 0.181 63.289 63.100 0.014 0.000 0.770 549 P CB 0.371 32.065 31.700 -0.010 0.000 0.836 550 Y N 2.519 122.760 120.300 -0.100 0.000 2.464 550 Y HA 0.198 4.749 4.550 0.001 0.000 0.326 550 Y C 0.638 176.452 175.900 -0.144 0.000 0.969 550 Y CA -0.652 57.385 58.100 -0.105 0.000 1.270 550 Y CB 0.249 38.639 38.460 -0.118 0.000 1.103 550 Y HN 0.194 nan 8.280 nan 0.000 0.491 551 D N 1.535 121.638 120.400 -0.495 0.000 2.310 551 D HA -0.152 4.489 4.640 0.001 0.000 0.212 551 D C 1.242 177.173 176.300 -0.614 0.000 0.965 551 D CA 0.737 54.462 54.000 -0.458 0.000 0.879 551 D CB 0.101 40.737 40.800 -0.273 0.000 0.921 551 D HN 0.485 nan 8.370 nan 0.000 0.510 552 E N 0.588 120.157 120.200 -1.053 0.000 2.284 552 E HA -0.117 4.234 4.350 0.001 0.000 0.200 552 E C 0.464 176.655 176.600 -0.682 0.000 1.008 552 E CA 0.833 56.811 56.400 -0.704 0.000 0.829 552 E CB -0.388 28.958 29.700 -0.590 0.000 0.744 552 E HN 0.450 nan 8.360 nan 0.000 0.491 553 S N -0.597 114.572 115.700 -0.885 0.000 2.790 553 S HA 0.493 4.964 4.470 0.001 0.000 0.202 553 S C 0.567 174.963 174.600 -0.339 0.000 1.383 553 S CA -0.584 57.091 58.200 -0.875 0.000 1.026 553 S CB 1.327 63.879 63.200 -1.079 0.000 1.253 553 S HN -0.135 nan 8.310 nan 0.000 0.489 554 S N 1.471 117.050 115.700 -0.201 0.000 2.818 554 S HA 0.389 4.859 4.470 0.001 0.000 0.251 554 S C 1.425 175.999 174.600 -0.043 0.000 1.083 554 S CA 0.085 58.218 58.200 -0.112 0.000 0.871 554 S CB -0.138 62.973 63.200 -0.148 0.000 0.831 554 S HN 0.776 nan 8.310 nan 0.000 0.470 555 G N 1.884 110.681 108.800 -0.005 0.000 2.447 555 G HA2 0.261 4.222 3.960 0.001 0.000 0.269 555 G HA3 0.261 4.222 3.960 0.001 0.000 0.269 555 G C 0.819 175.764 174.900 0.075 0.000 1.455 555 G CA -0.270 44.847 45.100 0.030 0.000 1.061 555 G HN 0.250 nan 8.290 nan 0.000 0.545 556 L N 0.585 121.851 121.223 0.072 0.000 2.265 556 L HA -0.057 4.284 4.340 0.001 0.000 0.215 556 L C 2.679 179.611 176.870 0.103 0.000 1.117 556 L CA 1.142 56.032 54.840 0.083 0.000 0.782 556 L CB -0.631 41.462 42.059 0.057 0.000 0.914 556 L HN 0.525 nan 8.230 nan 0.000 0.441 557 I N -1.672 118.970 120.570 0.121 0.000 2.530 557 I HA -0.194 3.977 4.170 0.001 0.000 0.257 557 I C 2.323 178.609 176.117 0.283 0.000 1.179 557 I CA 1.291 62.701 61.300 0.184 0.000 1.440 557 I CB -2.396 35.785 38.000 0.303 0.000 1.087 557 I HN 0.285 nan 8.210 nan 0.000 0.440 558 A N 1.132 124.063 122.820 0.186 0.000 2.186 558 A HA -0.216 4.104 4.320 0.001 0.000 0.219 558 A C 2.305 179.948 177.584 0.098 0.000 1.159 558 A CA 1.559 53.689 52.037 0.155 0.000 0.680 558 A CB -0.839 18.360 19.000 0.331 0.000 0.787 558 A HN 0.602 nan 8.150 nan 0.000 0.467 559 E N -0.230 120.028 120.200 0.096 0.000 2.150 559 E HA -0.116 4.234 4.350 0.001 0.000 0.193 559 E C 1.771 178.364 176.600 -0.012 0.000 0.985 559 E CA 0.785 57.182 56.400 -0.006 0.000 0.814 559 E CB -0.170 29.542 29.700 0.020 0.000 0.752 559 E HN 0.702 nan 8.360 nan 0.000 0.466 560 L N 0.032 121.358 121.223 0.172 0.000 2.083 560 L HA -0.181 4.160 4.340 0.001 0.000 0.209 560 L C 2.405 179.441 176.870 0.278 0.000 1.083 560 L CA 0.644 55.642 54.840 0.263 0.000 0.752 560 L CB -0.428 41.774 42.059 0.238 0.000 0.899 560 L HN 0.105 nan 8.230 nan 0.000 0.433 561 V N 0.538 120.655 119.914 0.338 0.000 2.453 561 V HA -0.271 3.849 4.120 0.001 0.000 0.252 561 V C 2.625 178.785 176.094 0.109 0.000 1.068 561 V CA 2.030 64.491 62.300 0.269 0.000 1.070 561 V CB -1.359 30.555 31.823 0.152 0.000 0.664 561 V HN 0.606 nan 8.190 nan 0.000 0.461 562 G N -1.195 107.587 108.800 -0.031 0.000 2.418 562 G HA2 -0.248 3.712 3.960 0.001 0.000 0.217 562 G HA3 -0.248 3.712 3.960 0.001 0.000 0.217 562 G C 1.385 176.270 174.900 -0.025 0.000 1.158 562 G CA 0.831 45.864 45.100 -0.112 0.000 0.771 562 G HN 0.568 nan 8.290 nan 0.000 0.545 563 H N -0.295 118.843 119.070 0.113 0.000 2.326 563 H HA -0.003 4.554 4.556 0.001 0.000 0.301 563 H C 2.523 177.950 175.328 0.165 0.000 1.081 563 H CA 1.296 57.437 56.048 0.155 0.000 1.334 563 H CB -0.570 29.279 29.762 0.145 0.000 1.385 563 H HN 0.304 nan 8.280 nan 0.000 0.504 564 L N 0.934 122.319 121.223 0.271 0.000 2.005 564 L HA -0.021 4.319 4.340 0.001 0.000 0.207 564 L C 2.535 179.500 176.870 0.159 0.000 1.072 564 L CA 1.846 56.804 54.840 0.197 0.000 0.744 564 L CB -0.885 41.330 42.059 0.260 0.000 0.895 564 L HN 0.170 nan 8.230 nan 0.000 0.433 565 A N -1.766 121.156 122.820 0.171 0.000 2.076 565 A HA -0.222 4.099 4.320 0.001 0.000 0.220 565 A C 2.509 180.160 177.584 0.111 0.000 1.160 565 A CA 1.865 53.983 52.037 0.136 0.000 0.653 565 A CB -0.908 18.154 19.000 0.102 0.000 0.801 565 A HN 0.545 nan 8.150 nan 0.000 0.455 566 S N -1.224 114.563 115.700 0.145 0.000 2.414 566 S HA -0.028 4.443 4.470 0.001 0.000 0.227 566 S C 1.804 176.546 174.600 0.236 0.000 1.022 566 S CA 1.021 59.335 58.200 0.190 0.000 0.958 566 S CB -0.374 62.979 63.200 0.254 0.000 0.797 566 S HN 0.506 nan 8.310 nan 0.000 0.493 567 L N 1.872 123.161 121.223 0.109 0.000 1.973 567 L HA 0.092 4.433 4.340 0.001 0.000 0.208 567 L C 2.054 178.867 176.870 -0.095 0.000 1.073 567 L CA 1.671 56.362 54.840 -0.247 0.000 0.746 567 L CB -0.781 40.891 42.059 -0.646 0.000 0.891 567 L HN 0.253 nan 8.230 nan 0.000 0.433 568 L N -0.335 120.812 121.223 -0.126 0.000 2.137 568 L HA -0.305 4.036 4.340 0.001 0.000 0.213 568 L C 2.600 179.451 176.870 -0.032 0.000 1.085 568 L CA 2.505 57.252 54.840 -0.155 0.000 0.760 568 L CB -1.041 40.895 42.059 -0.204 0.000 0.893 568 L HN 0.607 nan 8.230 nan 0.000 0.434 569 M N -0.899 118.722 119.600 0.035 0.000 2.099 569 M HA -0.260 4.221 4.480 0.001 0.000 0.262 569 M C 2.237 178.608 176.300 0.119 0.000 1.067 569 M CA 1.634 56.972 55.300 0.063 0.000 1.124 569 M CB -0.030 32.613 32.600 0.072 0.000 1.353 569 M HN 0.084 nan 8.290 nan 0.000 0.410 570 Q N 0.733 120.634 119.800 0.169 0.000 2.050 570 Q HA -0.093 4.248 4.340 0.001 0.000 0.202 570 Q C 1.878 178.172 176.000 0.490 0.000 0.980 570 Q CA 1.935 57.892 55.803 0.257 0.000 0.840 570 Q CB -0.624 28.181 28.738 0.111 0.000 0.898 570 Q HN 0.649 nan 8.270 nan 0.000 0.424 571 L N -0.010 121.466 121.223 0.421 0.000 2.079 571 L HA -0.203 4.138 4.340 0.001 0.000 0.210 571 L C 2.241 179.331 176.870 0.365 0.000 1.081 571 L CA 1.521 56.636 54.840 0.459 0.000 0.752 571 L CB -0.473 41.764 42.059 0.298 0.000 0.896 571 L HN 0.403 nan 8.230 nan 0.000 0.433 572 N N 0.151 118.959 118.700 0.179 0.000 2.250 572 N HA -0.106 4.634 4.740 0.001 0.000 0.181 572 N C 2.009 177.585 175.510 0.111 0.000 1.017 572 N CA 0.460 53.552 53.050 0.070 0.000 0.866 572 N CB 0.144 38.608 38.487 -0.038 0.000 0.985 572 N HN 0.187 nan 8.380 nan 0.000 0.429 573 I N -0.042 120.603 120.570 0.125 0.000 2.118 573 I HA -0.291 3.880 4.170 0.001 0.000 0.241 573 I C 1.611 177.706 176.117 -0.037 0.000 1.070 573 I CA 1.510 62.808 61.300 -0.003 0.000 1.327 573 I CB -0.392 37.574 38.000 -0.057 0.000 1.034 573 I HN 0.320 nan 8.210 nan 0.000 0.405 574 W N 1.138 122.528 121.300 0.151 0.000 2.418 574 W HA -0.127 4.534 4.660 0.001 0.000 0.292 574 W C 2.797 179.403 176.519 0.144 0.000 1.213 574 W CA 1.252 58.699 57.345 0.170 0.000 1.283 574 W CB -0.400 29.220 29.460 0.267 0.000 1.119 574 W HN 0.117 nan 8.180 nan 0.000 0.542 575 R N 0.833 121.555 120.500 0.370 0.000 2.200 575 R HA -0.111 4.229 4.340 0.001 0.000 0.234 575 R C 1.881 178.299 176.300 0.196 0.000 1.127 575 R CA 1.668 57.945 56.100 0.295 0.000 0.989 575 R CB -0.430 30.088 30.300 0.362 0.000 0.869 575 R HN 0.139 nan 8.270 nan 0.000 0.459 576 R N -0.645 119.935 120.500 0.133 0.000 2.254 576 R HA 0.138 4.478 4.340 0.001 0.000 0.193 576 R C 2.192 178.513 176.300 0.035 0.000 0.929 576 R CA 0.636 56.777 56.100 0.069 0.000 1.038 576 R CB 0.296 30.612 30.300 0.026 0.000 1.009 576 R HN 0.444 nan 8.270 nan 0.000 0.512 577 G N 0.760 109.563 108.800 0.005 0.000 2.394 577 G HA2 -0.177 3.784 3.960 0.001 0.000 0.215 577 G HA3 -0.177 3.784 3.960 0.001 0.000 0.215 577 G C 1.015 175.944 174.900 0.049 0.000 1.165 577 G CA 0.316 45.370 45.100 -0.077 0.000 0.784 577 G HN 0.060 nan 8.290 nan 0.000 0.535 578 L N 1.530 122.879 121.223 0.209 0.000 2.610 578 L HA 0.323 4.663 4.340 0.001 0.000 0.232 578 L C 2.846 179.893 176.870 0.296 0.000 1.149 578 L CA 0.506 55.555 54.840 0.347 0.000 0.872 578 L CB -0.513 41.789 42.059 0.405 0.000 0.992 578 L HN 0.265 nan 8.230 nan 0.000 0.447 579 A N -1.156 121.772 122.820 0.179 0.000 1.845 579 A HA -0.145 4.175 4.320 0.001 0.000 0.215 579 A C 1.368 179.043 177.584 0.151 0.000 1.195 579 A CA 1.003 53.129 52.037 0.147 0.000 0.616 579 A CB -0.310 18.748 19.000 0.096 0.000 0.832 579 A HN 0.413 nan 8.150 nan 0.000 0.443 580 Q N 0.353 120.215 119.800 0.105 0.000 2.306 580 Q HA 0.283 4.624 4.340 0.001 0.000 0.241 580 Q C -0.817 175.266 176.000 0.138 0.000 0.948 580 Q CA -0.335 55.523 55.803 0.091 0.000 0.886 580 Q CB 0.669 29.423 28.738 0.026 0.000 1.227 580 Q HN 0.607 nan 8.270 nan 0.000 0.457 581 E N 1.710 122.007 120.200 0.160 0.000 2.360 581 E HA 0.196 4.547 4.350 0.001 0.000 0.269 581 E C -0.702 175.958 176.600 0.101 0.000 1.022 581 E CA 0.123 56.673 56.400 0.250 0.000 0.887 581 E CB 0.668 30.492 29.700 0.207 0.000 0.990 581 E HN 0.221 nan 8.360 nan 0.000 0.426 582 R N 2.600 123.165 120.500 0.109 0.000 2.854 582 R HA 0.409 4.749 4.340 0.001 0.000 0.271 582 R C -2.667 173.669 176.300 0.059 0.000 0.994 582 R CA -2.165 53.828 56.100 -0.178 0.000 0.945 582 R CB 1.012 30.805 30.300 -0.844 0.000 1.194 582 R HN 0.321 nan 8.270 nan 0.000 0.476 583 P HA -0.021 nan 4.420 nan 0.000 0.271 583 P C 0.638 178.028 177.300 0.150 0.000 1.216 583 P CA -0.296 62.856 63.100 0.087 0.000 0.771 583 P CB 0.551 32.262 31.700 0.019 0.000 0.864 584 L N 4.006 125.358 121.223 0.214 0.000 2.095 584 L HA -0.277 4.064 4.340 0.001 0.000 0.229 584 L C 2.211 179.170 176.870 0.147 0.000 1.097 584 L CA 2.373 57.325 54.840 0.187 0.000 0.813 584 L CB -1.118 40.942 42.059 0.001 0.000 0.907 584 L HN 0.574 nan 8.230 nan 0.000 0.445 585 E N -0.304 119.939 120.200 0.071 0.000 2.118 585 E HA -0.253 4.097 4.350 0.001 0.000 0.195 585 E C 1.663 178.316 176.600 0.088 0.000 0.992 585 E CA 1.563 57.999 56.400 0.060 0.000 0.804 585 E CB -0.618 29.098 29.700 0.027 0.000 0.741 585 E HN 0.652 nan 8.360 nan 0.000 0.458 586 E N -0.010 120.218 120.200 0.046 0.000 2.204 586 E HA -0.129 4.221 4.350 0.001 0.000 0.194 586 E C 1.598 178.236 176.600 0.063 0.000 0.989 586 E CA 0.917 57.306 56.400 -0.017 0.000 0.824 586 E CB -0.302 29.298 29.700 -0.167 0.000 0.756 586 E HN 0.443 nan 8.360 nan 0.000 0.477 587 W N 0.916 122.314 121.300 0.164 0.000 2.800 587 W HA 0.066 4.726 4.660 0.001 0.000 0.249 587 W C 1.831 178.650 176.519 0.499 0.000 1.294 587 W CA -0.166 57.371 57.345 0.321 0.000 1.402 587 W CB -0.066 29.540 29.460 0.244 0.000 1.126 587 W HN 0.037 nan 8.180 nan 0.000 0.652 588 L N 1.339 122.872 121.223 0.515 0.000 2.021 588 L HA -0.237 4.103 4.340 0.001 0.000 0.215 588 L C 0.145 177.335 176.870 0.532 0.000 1.074 588 L CA 1.538 56.668 54.840 0.483 0.000 0.760 588 L CB -1.794 40.413 42.059 0.246 0.000 0.889 588 L HN -0.070 nan 8.230 nan 0.000 0.433 589 P HA -0.031 nan 4.420 nan 0.000 0.226 589 P C 1.842 179.290 177.300 0.247 0.000 1.161 589 P CA 0.707 63.961 63.100 0.256 0.000 0.804 589 P CB 0.226 32.036 31.700 0.184 0.000 0.829 590 V N 1.333 121.461 119.914 0.358 0.000 2.277 590 V HA -0.330 3.790 4.120 0.001 0.000 0.253 590 V C 2.982 179.081 176.094 0.009 0.000 1.067 590 V CA 2.491 64.998 62.300 0.345 0.000 1.047 590 V CB -1.746 30.444 31.823 0.611 0.000 0.649 590 V HN 0.306 nan 8.190 nan 0.000 0.447 591 C N 0.222 119.239 119.300 -0.471 0.000 2.432 591 C HA -0.174 4.287 4.460 0.001 0.000 0.277 591 C C 2.996 177.782 174.990 -0.341 0.000 1.249 591 C CA 1.764 60.373 59.018 -0.682 0.000 1.725 591 C CB -1.066 25.883 27.740 -1.318 0.000 2.028 591 C HN 0.621 nan 8.230 nan 0.000 0.477 592 R N 0.380 120.776 120.500 -0.173 0.000 2.073 592 R HA -0.127 4.214 4.340 0.001 0.000 0.234 592 R C 1.964 178.236 176.300 -0.047 0.000 1.134 592 R CA 2.299 58.347 56.100 -0.087 0.000 0.952 592 R CB -0.562 29.740 30.300 0.004 0.000 0.850 592 R HN 0.594 nan 8.270 nan 0.000 0.433 593 D N 0.449 120.875 120.400 0.043 0.000 2.092 593 D HA -0.227 4.414 4.640 0.001 0.000 0.193 593 D C 2.034 178.337 176.300 0.005 0.000 0.994 593 D CA 1.654 55.733 54.000 0.132 0.000 0.828 593 D CB -0.250 40.774 40.800 0.373 0.000 0.963 593 D HN 0.330 nan 8.370 nan 0.000 0.450 594 M N 0.005 119.479 119.600 -0.210 0.000 2.073 594 M HA -0.212 4.269 4.480 0.001 0.000 0.258 594 M C 2.279 178.449 176.300 -0.217 0.000 1.070 594 M CA 1.124 56.130 55.300 -0.489 0.000 1.103 594 M CB -0.348 31.983 32.600 -0.449 0.000 1.321 594 M HN 0.020 nan 8.290 nan 0.000 0.405 595 L N 0.722 121.809 121.223 -0.226 0.000 2.081 595 L HA -0.248 4.093 4.340 0.001 0.000 0.212 595 L C 2.041 178.883 176.870 -0.047 0.000 1.080 595 L CA 1.756 56.514 54.840 -0.138 0.000 0.754 595 L CB -1.090 40.856 42.059 -0.188 0.000 0.893 595 L HN 0.337 nan 8.230 nan 0.000 0.433 596 N N -0.993 117.668 118.700 -0.066 0.000 2.354 596 N HA 0.002 4.743 4.740 0.001 0.000 0.179 596 N C 1.767 177.211 175.510 -0.109 0.000 1.021 596 N CA 1.108 54.129 53.050 -0.049 0.000 0.887 596 N CB -0.121 38.349 38.487 -0.029 0.000 0.974 596 N HN 0.349 nan 8.380 nan 0.000 0.437 597 A N -0.826 121.896 122.820 -0.164 0.000 2.072 597 A HA 0.138 4.459 4.320 0.001 0.000 0.216 597 A C 1.077 178.305 177.584 -0.594 0.000 1.156 597 A CA 0.659 52.492 52.037 -0.340 0.000 0.701 597 A CB -0.197 18.612 19.000 -0.318 0.000 0.816 597 A HN 0.198 nan 8.150 nan 0.000 0.458 598 F N -2.635 117.117 119.950 -0.330 0.000 2.767 598 F HA 0.415 4.942 4.527 0.001 0.000 0.323 598 F C -0.210 175.351 175.800 -0.398 0.000 1.091 598 F CA -0.332 57.458 58.000 -0.349 0.000 1.192 598 F CB 0.598 39.150 39.000 -0.747 0.000 1.056 598 F HN 0.007 nan 8.300 nan 0.000 0.571 599 F N 1.055 121.085 119.950 0.133 0.000 2.539 599 F HA 0.458 4.985 4.527 0.001 0.000 0.318 599 F C -0.687 175.110 175.800 -0.005 0.000 1.135 599 F CA -1.352 56.687 58.000 0.064 0.000 0.915 599 F CB 1.876 40.890 39.000 0.023 0.000 1.176 599 F HN -0.399 nan 8.300 nan 0.000 0.440 600 L N 7.499 128.845 121.223 0.205 0.000 2.288 600 L HA 0.444 4.784 4.340 0.001 0.000 0.283 600 L C -2.041 174.869 176.870 0.068 0.000 1.072 600 L CA -2.465 52.423 54.840 0.079 0.000 0.862 600 L CB -0.015 42.067 42.059 0.038 0.000 1.245 600 L HN 0.212 nan 8.230 nan 0.000 0.432 601 P HA -0.102 nan 4.420 nan 0.000 0.257 601 P C -0.181 177.118 177.300 -0.003 0.000 1.153 601 P CA 0.496 63.603 63.100 0.012 0.000 0.762 601 P CB 0.861 32.564 31.700 0.004 0.000 0.743 602 D N 3.310 123.699 120.400 -0.018 0.000 1.971 602 D HA 0.055 4.695 4.640 0.001 0.000 0.300 602 D C 0.968 177.259 176.300 -0.015 0.000 1.091 602 D CA 0.982 54.972 54.000 -0.017 0.000 0.835 602 D CB 0.591 41.375 40.800 -0.026 0.000 1.002 602 D HN 0.353 nan 8.370 nan 0.000 0.343 603 A N -0.752 122.058 122.820 -0.016 0.000 1.690 603 A HA 0.115 4.436 4.320 0.001 0.000 0.213 603 A C 1.886 179.463 177.584 -0.011 0.000 1.785 603 A CA 0.329 52.359 52.037 -0.012 0.000 1.230 603 A CB -0.152 18.843 19.000 -0.008 0.000 1.175 603 A HN 0.424 nan 8.150 nan 0.000 0.468 604 E N 0.910 121.106 120.200 -0.008 0.000 2.007 604 E HA -0.179 4.172 4.350 0.001 0.000 0.194 604 E C 2.078 178.675 176.600 -0.005 0.000 0.999 604 E CA 2.048 58.451 56.400 0.005 0.000 0.811 604 E CB -0.735 28.973 29.700 0.013 0.000 0.762 604 E HN 0.706 nan 8.360 nan 0.000 0.450 605 T N -0.112 114.426 114.554 -0.026 0.000 2.778 605 T HA -0.237 4.113 4.350 0.001 0.000 0.269 605 T C 1.732 176.391 174.700 -0.068 0.000 1.050 605 T CA 1.485 63.547 62.100 -0.064 0.000 1.137 605 T CB -0.364 68.435 68.868 -0.115 0.000 0.860 605 T HN 0.144 nan 8.240 nan 0.000 0.468 606 E N 1.206 121.379 120.200 -0.045 0.000 2.160 606 E HA -0.099 4.252 4.350 0.001 0.000 0.195 606 E C 2.580 179.154 176.600 -0.042 0.000 0.991 606 E CA 1.135 57.512 56.400 -0.039 0.000 0.810 606 E CB -0.350 29.336 29.700 -0.024 0.000 0.742 606 E HN 0.770 nan 8.360 nan 0.000 0.466 607 A N 1.573 124.370 122.820 -0.038 0.000 1.832 607 A HA -0.049 4.272 4.320 0.001 0.000 0.214 607 A C 2.453 179.994 177.584 -0.073 0.000 1.200 607 A CA 1.599 53.611 52.037 -0.042 0.000 0.610 607 A CB -0.868 18.116 19.000 -0.028 0.000 0.842 607 A HN 0.287 nan 8.150 nan 0.000 0.444 608 A N -0.733 122.030 122.820 -0.095 0.000 1.927 608 A HA -0.251 4.069 4.320 0.001 0.000 0.220 608 A C 2.300 179.809 177.584 -0.125 0.000 1.185 608 A CA 2.198 54.144 52.037 -0.151 0.000 0.639 608 A CB -0.631 18.286 19.000 -0.139 0.000 0.820 608 A HN 0.563 nan 8.150 nan 0.000 0.451 609 M N -1.345 118.185 119.600 -0.117 0.000 2.159 609 M HA -0.130 4.351 4.480 0.001 0.000 0.263 609 M C 2.229 178.467 176.300 -0.102 0.000 1.063 609 M CA 1.918 57.140 55.300 -0.131 0.000 1.110 609 M CB -0.434 32.096 32.600 -0.116 0.000 1.374 609 M HN 0.452 nan 8.290 nan 0.000 0.411 610 T N 1.064 115.577 114.554 -0.069 0.000 2.833 610 T HA -0.140 4.211 4.350 0.001 0.000 0.269 610 T C 1.668 176.352 174.700 -0.026 0.000 1.054 610 T CA 0.962 63.038 62.100 -0.040 0.000 1.135 610 T CB -0.231 68.621 68.868 -0.027 0.000 0.869 610 T HN 0.379 nan 8.240 nan 0.000 0.466 611 L N 0.612 121.810 121.223 -0.042 0.000 2.056 611 L HA -0.072 4.269 4.340 0.001 0.000 0.207 611 L C 2.125 179.002 176.870 0.012 0.000 1.078 611 L CA 1.099 55.925 54.840 -0.024 0.000 0.749 611 L CB -0.286 41.735 42.059 -0.062 0.000 0.901 611 L HN 0.185 nan 8.230 nan 0.000 0.433 612 I N 0.364 120.927 120.570 -0.012 0.000 2.127 612 I HA -0.316 3.855 4.170 0.001 0.000 0.241 612 I C 2.427 178.599 176.117 0.092 0.000 1.075 612 I CA 1.706 63.025 61.300 0.032 0.000 1.334 612 I CB -1.375 36.550 38.000 -0.125 0.000 1.040 612 I HN 0.388 nan 8.210 nan 0.000 0.405 613 E N 0.295 120.507 120.200 0.020 0.000 2.160 613 E HA -0.250 4.100 4.350 0.001 0.000 0.195 613 E C 2.183 178.880 176.600 0.162 0.000 0.991 613 E CA 0.956 57.408 56.400 0.086 0.000 0.810 613 E CB -0.141 29.570 29.700 0.018 0.000 0.742 613 E HN 0.582 nan 8.360 nan 0.000 0.466 614 Q N 0.283 120.148 119.800 0.109 0.000 1.965 614 Q HA -0.182 4.159 4.340 0.001 0.000 0.200 614 Q C 2.366 178.445 176.000 0.132 0.000 0.981 614 Q CA 1.068 56.932 55.803 0.102 0.000 0.834 614 Q CB -0.005 28.770 28.738 0.062 0.000 0.900 614 Q HN 0.242 nan 8.270 nan 0.000 0.426 615 Q N -0.027 119.857 119.800 0.140 0.000 2.112 615 Q HA -0.220 4.120 4.340 0.001 0.000 0.206 615 Q C 1.660 177.775 176.000 0.191 0.000 0.987 615 Q CA 1.226 57.117 55.803 0.147 0.000 0.858 615 Q CB -0.710 28.117 28.738 0.148 0.000 0.905 615 Q HN 0.572 nan 8.270 nan 0.000 0.420 616 W N 1.952 123.300 121.300 0.080 0.000 2.333 616 W HA -0.273 4.388 4.660 0.001 0.000 0.316 616 W C 2.072 178.641 176.519 0.083 0.000 1.215 616 W CA 2.094 59.496 57.345 0.096 0.000 1.278 616 W CB -0.225 29.311 29.460 0.127 0.000 1.154 616 W HN 0.356 nan 8.180 nan 0.000 0.486 617 Q N 0.618 120.558 119.800 0.233 0.000 2.061 617 Q HA -0.198 4.143 4.340 0.001 0.000 0.204 617 Q C 2.361 178.364 176.000 0.004 0.000 0.984 617 Q CA 2.486 58.351 55.803 0.105 0.000 0.846 617 Q CB -0.580 28.244 28.738 0.144 0.000 0.902 617 Q HN 0.175 nan 8.270 nan 0.000 0.421 618 A N 1.355 124.198 122.820 0.038 0.000 1.842 618 A HA -0.252 4.068 4.320 0.001 0.000 0.217 618 A C 2.063 179.643 177.584 -0.006 0.000 1.206 618 A CA 1.965 54.017 52.037 0.026 0.000 0.630 618 A CB -1.174 17.858 19.000 0.054 0.000 0.839 618 A HN 0.539 nan 8.150 nan 0.000 0.447 619 I N -0.412 120.150 120.570 -0.012 0.000 2.229 619 I HA -0.338 3.832 4.170 0.001 0.000 0.250 619 I C 2.362 178.423 176.117 -0.094 0.000 1.096 619 I CA 1.712 63.009 61.300 -0.005 0.000 1.358 619 I CB -0.399 37.562 38.000 -0.065 0.000 1.047 619 I HN 0.388 nan 8.210 nan 0.000 0.422 620 I N 0.211 120.632 120.570 -0.247 0.000 2.235 620 I HA -0.203 3.967 4.170 0.001 0.000 0.241 620 I C 2.848 178.817 176.117 -0.246 0.000 1.085 620 I CA 1.102 62.224 61.300 -0.296 0.000 1.378 620 I CB -0.493 37.318 38.000 -0.315 0.000 1.076 620 I HN 0.163 nan 8.210 nan 0.000 0.415 621 A N 0.771 123.504 122.820 -0.146 0.000 1.903 621 A HA -0.296 4.025 4.320 0.001 0.000 0.219 621 A C 2.151 179.640 177.584 -0.158 0.000 1.191 621 A CA 2.144 54.114 52.037 -0.112 0.000 0.638 621 A CB -0.834 18.139 19.000 -0.046 0.000 0.823 621 A HN 0.467 nan 8.150 nan 0.000 0.451 622 E N -1.059 119.064 120.200 -0.128 0.000 2.097 622 E HA -0.178 4.172 4.350 0.001 0.000 0.196 622 E C 2.107 178.462 176.600 -0.408 0.000 1.000 622 E CA 0.998 57.333 56.400 -0.108 0.000 0.804 622 E CB -0.417 29.332 29.700 0.081 0.000 0.740 622 E HN 0.645 nan 8.360 nan 0.000 0.454 623 G N 0.636 108.909 108.800 -0.878 0.000 2.422 623 G HA2 -0.192 3.769 3.960 0.001 0.000 0.218 623 G HA3 -0.192 3.769 3.960 0.001 0.000 0.218 623 G C 1.532 175.913 174.900 -0.866 0.000 1.140 623 G CA 0.310 44.232 45.100 -1.965 0.000 0.775 623 G HN 0.078 nan 8.290 nan 0.000 0.545 624 L N 0.698 121.634 121.223 -0.478 0.000 2.072 624 L HA 0.076 4.417 4.340 0.001 0.000 0.205 624 L C 3.181 179.961 176.870 -0.151 0.000 1.079 624 L CA 0.863 55.566 54.840 -0.229 0.000 0.752 624 L CB -0.719 41.252 42.059 -0.147 0.000 0.906 624 L HN 0.293 nan 8.230 nan 0.000 0.436 625 G N 0.124 108.833 108.800 -0.152 0.000 2.491 625 G HA2 -0.325 3.635 3.960 0.001 0.000 0.218 625 G HA3 -0.325 3.635 3.960 0.001 0.000 0.218 625 G C 1.497 176.366 174.900 -0.052 0.000 1.180 625 G CA 0.798 45.851 45.100 -0.079 0.000 0.774 625 G HN 0.473 nan 8.290 nan 0.000 0.562 626 A N -0.550 122.242 122.820 -0.047 0.000 2.258 626 A HA 0.314 4.635 4.320 0.001 0.000 0.206 626 A C 0.998 178.638 177.584 0.093 0.000 1.222 626 A CA 0.924 52.989 52.037 0.047 0.000 0.822 626 A CB -0.457 18.654 19.000 0.185 0.000 0.804 626 A HN 0.524 nan 8.150 nan 0.000 0.483 627 Q N -1.645 118.174 119.800 0.032 0.000 2.430 627 Q HA -0.228 4.113 4.340 0.001 0.000 0.365 627 Q C -0.888 175.214 176.000 0.170 0.000 1.399 627 Q CA 0.510 56.351 55.803 0.064 0.000 1.050 627 Q CB -1.448 27.318 28.738 0.047 0.000 1.201 627 Q HN 0.679 nan 8.270 nan 0.000 0.320 628 Y N 0.141 120.440 120.300 -0.001 0.000 2.383 628 Y HA 0.515 5.066 4.550 0.001 0.000 0.344 628 Y C 1.142 177.074 175.900 0.053 0.000 0.986 628 Y CA 0.169 58.314 58.100 0.076 0.000 1.175 628 Y CB 0.745 39.246 38.460 0.069 0.000 1.152 628 Y HN 0.355 nan 8.280 nan 0.000 0.511 629 G N 4.056 112.643 108.800 -0.355 0.000 2.551 629 G HA2 -0.166 3.795 3.960 0.001 0.000 0.214 629 G HA3 -0.166 3.795 3.960 0.001 0.000 0.214 629 G C 0.134 174.847 174.900 -0.312 0.000 1.250 629 G CA 0.127 45.072 45.100 -0.259 0.000 0.825 629 G HN 0.610 nan 8.290 nan 0.000 0.549 630 D N 0.981 121.108 120.400 -0.456 0.000 2.505 630 D HA 0.279 4.920 4.640 0.001 0.000 0.229 630 D C 0.802 177.073 176.300 -0.048 0.000 1.215 630 D CA 0.581 54.432 54.000 -0.248 0.000 0.880 630 D CB 0.693 41.352 40.800 -0.235 0.000 1.228 630 D HN 0.349 nan 8.370 nan 0.000 0.497 631 A N 1.607 124.478 122.820 0.085 0.000 2.296 631 A HA 0.481 4.801 4.320 0.001 0.000 0.264 631 A C -0.432 177.345 177.584 0.323 0.000 1.097 631 A CA -0.497 51.658 52.037 0.197 0.000 0.811 631 A CB 0.761 19.847 19.000 0.145 0.000 1.072 631 A HN 0.319 nan 8.150 nan 0.000 0.495 632 V N 2.171 122.317 119.914 0.386 0.000 2.495 632 V HA 0.467 4.587 4.120 0.001 0.000 0.298 632 V C -2.290 174.000 176.094 0.328 0.000 1.031 632 V CA -1.406 61.090 62.300 0.327 0.000 0.871 632 V CB 1.826 33.797 31.823 0.248 0.000 0.988 632 V HN 0.864 nan 8.190 nan 0.000 0.432 633 P HA 0.288 nan 4.420 nan 0.000 0.284 633 P C 1.006 178.276 177.300 -0.050 0.000 1.253 633 P CA -0.383 62.798 63.100 0.135 0.000 0.800 633 P CB 1.902 33.643 31.700 0.069 0.000 0.961 634 L N 2.435 123.631 121.223 -0.045 0.000 1.997 634 L HA -0.315 4.026 4.340 0.001 0.000 0.216 634 L C 2.527 179.258 176.870 -0.232 0.000 1.074 634 L CA 2.838 57.481 54.840 -0.327 0.000 0.763 634 L CB -0.846 41.160 42.059 -0.089 0.000 0.890 634 L HN 0.469 nan 8.230 nan 0.000 0.434 635 S N -0.080 115.552 115.700 -0.113 0.000 2.406 635 S HA -0.339 4.132 4.470 0.001 0.000 0.242 635 S C 1.891 176.402 174.600 -0.149 0.000 1.079 635 S CA 1.774 59.913 58.200 -0.101 0.000 1.133 635 S CB -1.192 61.973 63.200 -0.059 0.000 1.005 635 S HN 0.393 nan 8.310 nan 0.000 0.443 636 L N 1.918 123.018 121.223 -0.205 0.000 1.976 636 L HA -0.144 4.197 4.340 0.001 0.000 0.223 636 L C 2.490 179.157 176.870 -0.337 0.000 1.081 636 L CA 2.082 56.720 54.840 -0.337 0.000 0.784 636 L CB -1.394 40.393 42.059 -0.453 0.000 0.896 636 L HN 0.439 nan 8.230 nan 0.000 0.438 637 L N -0.835 120.173 121.223 -0.359 0.000 2.017 637 L HA -0.239 4.102 4.340 0.001 0.000 0.208 637 L C 2.824 179.619 176.870 -0.125 0.000 1.073 637 L CA 1.528 56.176 54.840 -0.319 0.000 0.745 637 L CB -0.705 41.024 42.059 -0.548 0.000 0.894 637 L HN 0.404 nan 8.230 nan 0.000 0.432 638 R N 0.726 121.171 120.500 -0.092 0.000 2.097 638 R HA -0.223 4.118 4.340 0.001 0.000 0.236 638 R C 1.796 178.078 176.300 -0.031 0.000 1.135 638 R CA 2.439 58.516 56.100 -0.037 0.000 0.934 638 R CB -0.414 29.834 30.300 -0.087 0.000 0.846 638 R HN 0.288 nan 8.270 nan 0.000 0.431 639 D N 0.055 120.426 120.400 -0.048 0.000 2.190 639 D HA -0.176 4.465 4.640 0.001 0.000 0.200 639 D C 1.775 178.086 176.300 0.018 0.000 0.992 639 D CA 1.405 55.395 54.000 -0.017 0.000 0.854 639 D CB -0.098 40.695 40.800 -0.013 0.000 0.936 639 D HN 0.388 nan 8.370 nan 0.000 0.462 640 E N 0.137 120.348 120.200 0.019 0.000 2.086 640 E HA 0.023 4.374 4.350 0.001 0.000 0.190 640 E C 2.029 178.666 176.600 0.062 0.000 0.975 640 E CA 0.145 56.585 56.400 0.067 0.000 0.813 640 E CB -0.332 29.419 29.700 0.085 0.000 0.768 640 E HN 0.176 nan 8.360 nan 0.000 0.457 641 L N 0.046 121.309 121.223 0.066 0.000 2.081 641 L HA -0.221 4.119 4.340 0.001 0.000 0.212 641 L C 2.159 179.083 176.870 0.091 0.000 1.080 641 L CA 1.670 56.584 54.840 0.123 0.000 0.754 641 L CB -0.548 41.640 42.059 0.216 0.000 0.893 641 L HN 0.309 nan 8.230 nan 0.000 0.433 642 A N -0.507 122.345 122.820 0.053 0.000 1.835 642 A HA -0.283 4.038 4.320 0.001 0.000 0.215 642 A C 2.044 179.649 177.584 0.035 0.000 1.199 642 A CA 1.777 53.835 52.037 0.034 0.000 0.615 642 A CB -0.709 18.296 19.000 0.008 0.000 0.838 642 A HN 0.574 nan 8.150 nan 0.000 0.444 643 Q N -0.747 119.072 119.800 0.032 0.000 2.029 643 Q HA -0.268 4.072 4.340 0.001 0.000 0.209 643 Q C 2.434 178.453 176.000 0.030 0.000 0.999 643 Q CA 2.010 57.828 55.803 0.026 0.000 0.857 643 Q CB -0.313 28.441 28.738 0.025 0.000 0.926 643 Q HN 0.600 nan 8.270 nan 0.000 0.415 644 R N 0.068 120.595 120.500 0.044 0.000 2.115 644 R HA -0.200 4.141 4.340 0.001 0.000 0.239 644 R C 2.319 178.644 176.300 0.041 0.000 1.133 644 R CA 1.426 57.553 56.100 0.046 0.000 0.935 644 R CB -0.570 29.768 30.300 0.064 0.000 0.853 644 R HN 0.157 nan 8.270 nan 0.000 0.433 645 L N 1.255 122.509 121.223 0.051 0.000 2.189 645 L HA -0.221 4.120 4.340 0.001 0.000 0.214 645 L C 1.577 178.466 176.870 0.032 0.000 1.097 645 L CA 1.776 56.643 54.840 0.045 0.000 0.764 645 L CB -0.672 41.424 42.059 0.061 0.000 0.900 645 L HN 0.146 nan 8.230 nan 0.000 0.436 646 D N -1.586 118.831 120.400 0.028 0.000 2.234 646 D HA -0.109 4.532 4.640 0.001 0.000 0.205 646 D C 2.126 178.435 176.300 0.015 0.000 0.962 646 D CA 0.718 54.730 54.000 0.019 0.000 0.855 646 D CB 0.251 41.059 40.800 0.013 0.000 0.951 646 D HN 0.471 nan 8.370 nan 0.000 0.500 647 Q N -0.318 119.490 119.800 0.015 0.000 2.391 647 Q HA 0.048 4.389 4.340 0.001 0.000 0.211 647 Q C 0.297 176.303 176.000 0.010 0.000 0.908 647 Q CA -0.044 55.764 55.803 0.010 0.000 0.920 647 Q CB 0.477 29.219 28.738 0.008 0.000 1.056 647 Q HN 0.002 nan 8.270 nan 0.000 0.523 648 E N 2.155 122.364 120.200 0.014 0.000 2.406 648 E HA -0.013 4.337 4.350 0.001 0.000 0.258 648 E C -0.750 175.854 176.600 0.007 0.000 1.043 648 E CA 0.402 56.807 56.400 0.009 0.000 0.929 648 E CB 0.323 30.027 29.700 0.006 0.000 0.969 648 E HN 0.018 nan 8.360 nan 0.000 0.462 649 R N 4.201 124.704 120.500 0.004 0.000 2.664 649 R HA 0.444 4.785 4.340 0.001 0.000 0.286 649 R C -0.442 175.863 176.300 0.009 0.000 0.967 649 R CA -1.087 55.018 56.100 0.007 0.000 0.933 649 R CB 1.230 31.527 30.300 -0.003 0.000 1.146 649 R HN 0.469 nan 8.270 nan 0.000 0.468 650 I N 1.958 122.544 120.570 0.026 0.000 2.339 650 I HA 0.177 4.348 4.170 0.001 0.000 0.290 650 I C 0.415 176.552 176.117 0.033 0.000 0.994 650 I CA -0.348 60.974 61.300 0.036 0.000 1.191 650 I CB 1.293 39.339 38.000 0.075 0.000 1.343 650 I HN 0.721 nan 8.210 nan 0.000 0.458 651 S N 4.082 119.799 115.700 0.028 0.000 2.745 651 S HA 0.172 4.643 4.470 0.001 0.000 0.232 651 S C 0.578 175.223 174.600 0.074 0.000 0.804 651 S CA -0.598 57.626 58.200 0.040 0.000 1.071 651 S CB 0.342 63.529 63.200 -0.021 0.000 1.480 651 S HN 0.505 nan 8.310 nan 0.000 0.467 652 Q N 1.552 121.391 119.800 0.065 0.000 2.230 652 Q HA 0.164 4.505 4.340 0.001 0.000 0.202 652 Q C 1.076 177.129 176.000 0.087 0.000 0.963 652 Q CA 0.809 56.651 55.803 0.066 0.000 0.866 652 Q CB -0.046 28.717 28.738 0.042 0.000 0.931 652 Q HN 0.446 nan 8.270 nan 0.000 0.452 653 R N -0.070 120.483 120.500 0.089 0.000 2.423 653 R HA 0.082 4.423 4.340 0.001 0.000 0.248 653 R C 1.424 177.799 176.300 0.126 0.000 1.019 653 R CA -0.250 55.894 56.100 0.073 0.000 1.119 653 R CB -0.865 29.453 30.300 0.031 0.000 1.176 653 R HN 0.279 nan 8.270 nan 0.000 0.526 654 F N 0.397 120.357 119.950 0.016 0.000 2.161 654 F HA -0.143 4.385 4.527 0.001 0.000 0.300 654 F C 0.830 176.671 175.800 0.068 0.000 1.089 654 F CA 1.351 59.374 58.000 0.038 0.000 1.282 654 F CB 0.393 39.421 39.000 0.047 0.000 1.010 654 F HN -0.016 nan 8.300 nan 0.000 0.485 655 L N -0.333 120.799 121.223 -0.153 0.000 2.861 655 L HA 0.371 4.712 4.340 0.001 0.000 0.290 655 L C 0.211 177.019 176.870 -0.103 0.000 1.346 655 L CA -0.111 54.584 54.840 -0.241 0.000 0.779 655 L CB 0.629 42.535 42.059 -0.256 0.000 1.143 655 L HN 0.158 nan 8.230 nan 0.000 0.548 656 A N -0.263 122.516 122.820 -0.069 0.000 2.039 656 A HA 0.586 4.906 4.320 0.001 0.000 0.205 656 A C 1.106 178.663 177.584 -0.045 0.000 2.297 656 A CA 0.535 52.544 52.037 -0.045 0.000 1.472 656 A CB -0.594 18.390 19.000 -0.026 0.000 1.030 656 A HN 0.259 nan 8.150 nan 0.000 0.511 657 G N 1.995 110.772 108.800 -0.039 0.000 2.588 657 G HA2 0.471 4.432 3.960 0.001 0.000 0.297 657 G HA3 0.471 4.432 3.960 0.001 0.000 0.297 657 G C -2.219 172.656 174.900 -0.042 0.000 0.874 657 G CA -0.615 44.463 45.100 -0.037 0.000 1.607 657 G HN 0.261 nan 8.290 nan 0.000 0.486 658 P HA -0.143 nan 4.420 nan 0.000 0.286 658 P C 0.554 177.846 177.300 -0.013 0.000 1.522 658 P CA 0.281 63.363 63.100 -0.030 0.000 1.147 658 P CB 0.322 32.006 31.700 -0.027 0.000 0.722 659 V N -1.771 118.137 119.914 -0.010 0.000 4.056 659 V HA -0.253 3.868 4.120 0.001 0.000 0.459 659 V C -0.350 175.737 176.094 -0.012 0.000 0.682 659 V CA 0.809 63.109 62.300 -0.000 0.000 1.872 659 V CB -1.787 30.086 31.823 0.082 0.000 2.268 659 V HN 0.695 nan 8.190 nan 0.000 0.494 660 N N 5.638 124.301 118.700 -0.062 0.000 2.437 660 N HA 0.699 5.440 4.740 0.001 0.000 0.259 660 N C -0.613 174.866 175.510 -0.052 0.000 0.983 660 N CA -0.775 52.258 53.050 -0.030 0.000 0.937 660 N CB 1.320 39.788 38.487 -0.030 0.000 1.122 660 N HN 0.548 nan 8.380 nan 0.000 0.499 661 I N 2.241 122.794 120.570 -0.029 0.000 2.321 661 I HA 0.459 4.630 4.170 0.001 0.000 0.291 661 I C 0.679 176.785 176.117 -0.018 0.000 0.998 661 I CA -0.814 60.440 61.300 -0.076 0.000 1.227 661 I CB -0.179 37.745 38.000 -0.127 0.000 1.368 661 I HN 0.780 nan 8.210 nan 0.000 0.466 662 C N 3.172 122.448 119.300 -0.040 0.000 3.166 662 C HA 0.835 5.296 4.460 0.001 0.000 0.377 662 C C 0.303 175.269 174.990 -0.040 0.000 2.575 662 C CA -0.394 58.612 59.018 -0.021 0.000 1.180 662 C CB 1.447 29.185 27.740 -0.003 0.000 2.963 662 C HN 0.789 nan 8.230 nan 0.000 0.427 663 T N -0.627 113.907 114.554 -0.033 0.000 2.927 663 T HA 0.708 5.059 4.350 0.001 0.000 0.286 663 T C -0.866 173.825 174.700 -0.015 0.000 1.040 663 T CA -0.506 61.588 62.100 -0.009 0.000 1.010 663 T CB 0.877 69.753 68.868 0.013 0.000 1.177 663 T HN 0.647 nan 8.240 nan 0.000 0.546 664 L N 1.427 122.671 121.223 0.036 0.000 2.363 664 L HA 0.417 4.758 4.340 0.001 0.000 0.286 664 L C 0.027 176.921 176.870 0.039 0.000 1.106 664 L CA -0.045 54.822 54.840 0.046 0.000 0.859 664 L CB -0.191 41.953 42.059 0.141 0.000 1.223 664 L HN 0.602 nan 8.230 nan 0.000 0.446 665 M N 7.292 126.887 119.600 -0.008 0.000 2.144 665 M HA 0.405 4.886 4.480 0.001 0.000 0.356 665 M C -2.168 174.138 176.300 0.011 0.000 1.217 665 M CA -2.077 53.212 55.300 -0.019 0.000 1.087 665 M CB 0.985 33.538 32.600 -0.079 0.000 1.609 665 M HN 0.192 nan 8.290 nan 0.000 0.467 666 P HA 0.097 nan 4.420 nan 0.000 0.275 666 P C -0.527 176.798 177.300 0.041 0.000 1.228 666 P CA -0.003 63.130 63.100 0.055 0.000 0.786 666 P CB 0.812 32.541 31.700 0.048 0.000 0.927 667 M N -0.851 118.789 119.600 0.066 0.000 2.879 667 M HA -0.177 4.304 4.480 0.001 0.000 0.210 667 M C 0.191 176.514 176.300 0.038 0.000 0.550 667 M CA 1.109 56.443 55.300 0.056 0.000 0.732 667 M CB -2.267 30.356 32.600 0.039 0.000 2.662 667 M HN 0.638 nan 8.290 nan 0.000 0.516 668 R N 0.232 120.749 120.500 0.027 0.000 2.684 668 R HA 0.322 4.663 4.340 0.001 0.000 0.252 668 R C -0.583 175.724 176.300 0.011 0.000 1.628 668 R CA 0.239 56.342 56.100 0.005 0.000 1.622 668 R CB 0.637 30.913 30.300 -0.040 0.000 1.418 668 R HN 0.143 nan 8.270 nan 0.000 0.697 669 S N 3.927 119.626 115.700 -0.003 0.000 2.921 669 S HA 0.381 4.852 4.470 0.001 0.000 0.244 669 S C 0.368 174.901 174.600 -0.112 0.000 1.291 669 S CA -0.585 57.602 58.200 -0.020 0.000 1.010 669 S CB -0.295 62.898 63.200 -0.011 0.000 1.255 669 S HN 0.450 nan 8.310 nan 0.000 0.492 670 I N 5.289 125.802 120.570 -0.096 0.000 2.612 670 I HA 0.406 4.576 4.170 0.001 0.000 0.295 670 I C -1.928 174.036 176.117 -0.255 0.000 1.011 670 I CA -2.587 58.473 61.300 -0.401 0.000 1.326 670 I CB 1.364 39.069 38.000 -0.492 0.000 1.427 670 I HN 0.379 nan 8.210 nan 0.000 0.537 671 P HA 0.338 nan 4.420 nan 0.000 0.292 671 P C -1.351 175.756 177.300 -0.322 0.000 1.287 671 P CA -0.037 62.923 63.100 -0.235 0.000 0.800 671 P CB 0.710 32.277 31.700 -0.221 0.000 0.945 672 F N 1.250 121.151 119.950 -0.081 0.000 2.577 672 F HA 0.399 4.926 4.527 0.001 0.000 0.318 672 F C 1.793 177.571 175.800 -0.038 0.000 1.065 672 F CA -0.744 57.225 58.000 -0.051 0.000 0.929 672 F CB 1.995 40.960 39.000 -0.058 0.000 1.237 672 F HN 0.144 nan 8.300 nan 0.000 0.468 673 K N 0.319 120.812 120.400 0.155 0.000 2.057 673 K HA 0.078 4.399 4.320 0.001 0.000 0.206 673 K C -0.233 176.410 176.600 0.071 0.000 1.050 673 K CA 1.049 57.386 56.287 0.083 0.000 0.935 673 K CB 0.157 32.688 32.500 0.051 0.000 0.715 673 K HN 0.226 nan 8.250 nan 0.000 0.439 674 V N 1.645 121.604 119.914 0.076 0.000 2.495 674 V HA 0.277 4.398 4.120 0.001 0.000 0.298 674 V C -0.646 175.429 176.094 -0.031 0.000 1.031 674 V CA -0.828 61.477 62.300 0.008 0.000 0.871 674 V CB 2.014 33.815 31.823 -0.038 0.000 0.988 674 V HN -0.199 nan 8.190 nan 0.000 0.432 675 V N 3.668 123.550 119.914 -0.054 0.000 2.482 675 V HA 0.417 4.537 4.120 0.001 0.000 0.295 675 V C -0.466 175.578 176.094 -0.082 0.000 1.026 675 V CA -0.404 61.829 62.300 -0.112 0.000 0.856 675 V CB 1.759 33.520 31.823 -0.105 0.000 1.001 675 V HN 1.023 nan 8.190 nan 0.000 0.424 676 C N 6.159 125.394 119.300 -0.108 0.000 2.382 676 C HA 0.737 5.197 4.460 0.001 0.000 0.327 676 C C -0.132 174.835 174.990 -0.039 0.000 1.250 676 C CA -0.999 58.016 59.018 -0.006 0.000 1.707 676 C CB 0.655 28.308 27.740 -0.145 0.000 2.272 676 C HN 0.715 nan 8.230 nan 0.000 0.506 677 L N 3.594 124.832 121.223 0.024 0.000 2.343 677 L HA 0.602 4.943 4.340 0.001 0.000 0.278 677 L C -0.659 176.218 176.870 0.013 0.000 0.996 677 L CA -0.248 54.561 54.840 -0.050 0.000 0.831 677 L CB 1.021 43.018 42.059 -0.103 0.000 1.232 677 L HN 0.572 nan 8.230 nan 0.000 0.413 678 L N 2.480 123.666 121.223 -0.062 0.000 2.346 678 L HA 0.633 4.974 4.340 0.001 0.000 0.274 678 L C 0.905 177.738 176.870 -0.062 0.000 1.007 678 L CA -0.608 54.195 54.840 -0.062 0.000 0.818 678 L CB 1.862 43.803 42.059 -0.196 0.000 1.284 678 L HN 0.840 nan 8.230 nan 0.000 0.424 679 G N 2.726 111.595 108.800 0.115 0.000 2.225 679 G HA2 -0.226 3.735 3.960 0.001 0.000 0.264 679 G HA3 -0.226 3.735 3.960 0.001 0.000 0.264 679 G C 0.226 175.259 174.900 0.221 0.000 1.060 679 G CA -0.413 44.836 45.100 0.247 0.000 0.833 679 G HN 0.390 nan 8.290 nan 0.000 0.498 680 M N 1.230 120.955 119.600 0.209 0.000 3.709 680 M HA 0.200 4.681 4.480 0.001 0.000 0.202 680 M C 0.613 176.994 176.300 0.134 0.000 1.360 680 M CA -0.392 55.004 55.300 0.161 0.000 1.600 680 M CB -1.166 31.508 32.600 0.124 0.000 1.061 680 M HN 0.232 nan 8.290 nan 0.000 0.575 681 N N 0.923 119.726 118.700 0.171 0.000 2.495 681 N HA 0.116 4.856 4.740 0.001 0.000 0.280 681 N C -0.528 175.027 175.510 0.076 0.000 1.168 681 N CA -0.400 52.727 53.050 0.128 0.000 0.978 681 N CB 1.325 39.928 38.487 0.194 0.000 1.191 681 N HN 0.269 nan 8.380 nan 0.000 0.497 682 D N -0.473 119.960 120.400 0.054 0.000 2.458 682 D HA 0.198 4.838 4.640 0.001 0.000 0.243 682 D C 1.182 177.503 176.300 0.035 0.000 1.146 682 D CA 1.209 55.227 54.000 0.030 0.000 0.877 682 D CB 0.170 40.993 40.800 0.039 0.000 1.176 682 D HN 0.736 nan 8.370 nan 0.000 0.461 683 G N 1.742 110.543 108.800 0.003 0.000 2.199 683 G HA2 -0.270 3.691 3.960 0.001 0.000 0.254 683 G HA3 -0.270 3.691 3.960 0.001 0.000 0.254 683 G C 0.899 175.802 174.900 0.006 0.000 0.982 683 G CA 0.366 45.464 45.100 -0.003 0.000 0.632 683 G HN 0.539 nan 8.290 nan 0.000 0.529 684 V N -0.815 119.121 119.914 0.036 0.000 2.806 684 V HA 0.232 4.352 4.120 0.001 0.000 0.239 684 V C 1.821 177.950 176.094 0.058 0.000 1.113 684 V CA 1.727 64.066 62.300 0.065 0.000 1.137 684 V CB -0.568 31.333 31.823 0.130 0.000 0.865 684 V HN 0.378 nan 8.190 nan 0.000 0.482 685 Y N 3.818 124.114 120.300 -0.007 0.000 2.174 685 Y HA 0.138 4.689 4.550 0.001 0.000 0.273 685 Y C -1.451 174.417 175.900 -0.053 0.000 1.087 685 Y CA 0.170 58.253 58.100 -0.028 0.000 1.078 685 Y CB -1.278 37.145 38.460 -0.062 0.000 1.010 685 Y HN 0.165 nan 8.280 nan 0.000 0.478 686 P HA -0.078 nan 4.420 nan 0.000 0.250 686 P C -0.950 176.075 177.300 -0.457 0.000 1.198 686 P CA 0.679 63.355 63.100 -0.706 0.000 1.118 686 P CB -0.478 31.040 31.700 -0.304 0.000 1.208 687 R N 2.839 123.034 120.500 -0.509 0.000 2.522 687 R HA 0.085 4.426 4.340 0.001 0.000 0.284 687 R C 1.115 177.303 176.300 -0.185 0.000 1.032 687 R CA 0.166 56.105 56.100 -0.268 0.000 1.049 687 R CB 0.256 30.424 30.300 -0.220 0.000 0.956 687 R HN 0.534 nan 8.270 nan 0.000 0.422 688 Q N 3.070 122.793 119.800 -0.128 0.000 2.576 688 Q HA 0.805 5.146 4.340 0.001 0.000 0.249 688 Q C -0.667 175.284 176.000 -0.083 0.000 1.041 688 Q CA -1.227 54.516 55.803 -0.101 0.000 0.928 688 Q CB 1.734 30.421 28.738 -0.085 0.000 1.302 688 Q HN 0.560 nan 8.270 nan 0.000 0.504 689 L N -3.929 117.248 121.223 -0.076 0.000 5.111 689 L HA 0.553 4.894 4.340 0.001 0.000 0.247 689 L C -1.771 175.052 176.870 -0.078 0.000 1.105 689 L CA -0.951 53.845 54.840 -0.073 0.000 0.992 689 L CB 0.067 42.081 42.059 -0.076 0.000 1.726 689 L HN 0.748 nan 8.230 nan 0.000 0.430 690 A N 4.324 127.100 122.820 -0.074 0.000 2.366 690 A HA 0.865 5.185 4.320 0.001 0.000 0.272 690 A C -1.707 175.816 177.584 -0.102 0.000 1.135 690 A CA -1.123 50.867 52.037 -0.078 0.000 0.804 690 A CB -0.121 18.841 19.000 -0.063 0.000 1.064 690 A HN 0.697 nan 8.150 nan 0.000 0.499 691 P HA 0.003 nan 4.420 nan 0.000 0.266 691 P C 0.565 177.749 177.300 -0.193 0.000 1.193 691 P CA -0.218 62.794 63.100 -0.146 0.000 0.770 691 P CB 0.410 32.040 31.700 -0.117 0.000 0.836 692 L N 1.332 122.367 121.223 -0.313 0.000 2.283 692 L HA -0.234 4.107 4.340 0.001 0.000 0.217 692 L C 2.176 178.808 176.870 -0.396 0.000 1.104 692 L CA 2.379 56.916 54.840 -0.505 0.000 0.772 692 L CB -1.179 40.247 42.059 -1.056 0.000 0.899 692 L HN 0.913 nan 8.230 nan 0.000 0.439 693 G N -0.726 107.940 108.800 -0.223 0.000 2.363 693 G HA2 -0.385 3.576 3.960 0.001 0.000 0.238 693 G HA3 -0.385 3.576 3.960 0.001 0.000 0.238 693 G C 0.664 175.593 174.900 0.048 0.000 1.062 693 G CA 0.369 45.434 45.100 -0.058 0.000 0.629 693 G HN 0.457 nan 8.290 nan 0.000 0.514 694 F N 1.145 121.122 119.950 0.045 0.000 2.772 694 F HA 0.644 5.171 4.527 0.001 0.000 0.302 694 F C 0.009 175.856 175.800 0.078 0.000 1.136 694 F CA -1.155 56.892 58.000 0.079 0.000 1.322 694 F CB 0.227 39.335 39.000 0.181 0.000 0.967 694 F HN -0.002 nan 8.300 nan 0.000 0.513 695 D N 1.690 122.089 120.400 -0.001 0.000 2.564 695 D HA 0.114 4.755 4.640 0.001 0.000 0.226 695 D C 1.301 177.739 176.300 0.229 0.000 1.149 695 D CA -0.128 53.918 54.000 0.076 0.000 0.994 695 D CB 0.201 40.938 40.800 -0.106 0.000 1.029 695 D HN 0.099 nan 8.370 nan 0.000 0.517 696 L N 2.593 124.018 121.223 0.337 0.000 2.077 696 L HA -0.307 4.034 4.340 0.001 0.000 0.231 696 L C 2.523 179.599 176.870 0.343 0.000 1.100 696 L CA 1.975 56.984 54.840 0.283 0.000 0.819 696 L CB -1.207 40.976 42.059 0.207 0.000 0.913 696 L HN 0.507 nan 8.230 nan 0.000 0.446 697 M N -0.790 119.104 119.600 0.491 0.000 2.192 697 M HA -0.300 4.181 4.480 0.001 0.000 0.256 697 M C 2.259 178.629 176.300 0.118 0.000 1.076 697 M CA 2.289 57.760 55.300 0.285 0.000 1.075 697 M CB -0.154 32.608 32.600 0.271 0.000 1.368 697 M HN 0.524 nan 8.290 nan 0.000 0.406 698 S N -0.509 115.245 115.700 0.090 0.000 2.461 698 S HA -0.125 4.346 4.470 0.001 0.000 0.228 698 S C 1.582 176.198 174.600 0.026 0.000 1.005 698 S CA 0.850 59.060 58.200 0.017 0.000 0.942 698 S CB -0.467 62.722 63.200 -0.019 0.000 0.776 698 S HN 0.749 nan 8.310 nan 0.000 0.514 699 Q N 0.668 120.504 119.800 0.060 0.000 2.212 699 Q HA 0.216 4.557 4.340 0.001 0.000 0.199 699 Q C 0.696 176.727 176.000 0.052 0.000 0.950 699 Q CA 0.698 56.530 55.803 0.048 0.000 0.863 699 Q CB -0.204 28.567 28.738 0.055 0.000 0.944 699 Q HN 0.419 nan 8.270 nan 0.000 0.465 700 K N 2.004 122.454 120.400 0.083 0.000 2.533 700 K HA 0.310 4.630 4.320 0.001 0.000 0.207 700 K C -2.622 174.008 176.600 0.050 0.000 1.052 700 K CA -2.172 54.163 56.287 0.079 0.000 1.030 700 K CB 1.136 33.717 32.500 0.134 0.000 1.522 700 K HN -0.094 nan 8.250 nan 0.000 0.543 701 P HA 0.110 nan 4.420 nan 0.000 0.271 701 P C -1.043 176.237 177.300 -0.033 0.000 1.233 701 P CA -0.303 62.784 63.100 -0.022 0.000 0.789 701 P CB 0.697 32.380 31.700 -0.028 0.000 0.951 702 K N 0.316 120.685 120.400 -0.052 0.000 2.555 702 K HA 0.304 4.624 4.320 0.001 0.000 0.279 702 K C 0.910 177.472 176.600 -0.062 0.000 0.986 702 K CA -0.862 55.390 56.287 -0.058 0.000 0.880 702 K CB 1.471 33.933 32.500 -0.065 0.000 1.474 702 K HN 0.051 nan 8.250 nan 0.000 0.433 703 R N 0.210 120.663 120.500 -0.078 0.000 2.140 703 R HA -0.169 4.171 4.340 0.001 0.000 0.250 703 R C 1.756 178.041 176.300 -0.025 0.000 1.150 703 R CA 2.304 58.352 56.100 -0.087 0.000 0.966 703 R CB -0.838 29.406 30.300 -0.094 0.000 0.869 703 R HN 0.948 nan 8.270 nan 0.000 0.445 704 G N 1.232 110.039 108.800 0.012 0.000 2.421 704 G HA2 -0.140 3.821 3.960 0.001 0.000 0.217 704 G HA3 -0.140 3.821 3.960 0.001 0.000 0.217 704 G C 0.067 175.040 174.900 0.121 0.000 1.143 704 G CA 0.001 45.150 45.100 0.082 0.000 0.784 704 G HN 0.256 nan 8.290 nan 0.000 0.541 705 D N 0.302 120.715 120.400 0.022 0.000 2.461 705 D HA 0.142 4.783 4.640 0.001 0.000 0.231 705 D C 0.731 176.930 176.300 -0.169 0.000 1.208 705 D CA 0.839 54.744 54.000 -0.158 0.000 0.879 705 D CB 0.497 41.209 40.800 -0.146 0.000 1.220 705 D HN 0.109 nan 8.370 nan 0.000 0.480 706 R N -0.141 120.194 120.500 -0.274 0.000 2.698 706 R HA 0.614 4.954 4.340 0.001 0.000 0.275 706 R C -0.880 175.313 176.300 -0.178 0.000 1.001 706 R CA -0.764 55.222 56.100 -0.190 0.000 0.896 706 R CB 2.149 32.343 30.300 -0.177 0.000 1.218 706 R HN 0.589 nan 8.270 nan 0.000 0.462 707 S N -0.019 115.611 115.700 -0.117 0.000 2.570 707 S HA 0.308 4.778 4.470 0.001 0.000 0.270 707 S C 0.525 175.081 174.600 -0.074 0.000 1.149 707 S CA -0.929 57.210 58.200 -0.102 0.000 0.837 707 S CB 2.669 65.816 63.200 -0.089 0.000 1.124 707 S HN 0.795 nan 8.310 nan 0.000 0.465 708 R N 1.073 121.527 120.500 -0.077 0.000 2.083 708 R HA -0.103 4.238 4.340 0.001 0.000 0.237 708 R C 2.359 178.619 176.300 -0.067 0.000 1.137 708 R CA 1.943 58.001 56.100 -0.071 0.000 0.951 708 R CB -0.533 29.715 30.300 -0.087 0.000 0.851 708 R HN 0.754 nan 8.270 nan 0.000 0.434 709 R N 0.925 121.382 120.500 -0.071 0.000 2.143 709 R HA -0.219 4.122 4.340 0.001 0.000 0.239 709 R C 1.557 177.846 176.300 -0.019 0.000 1.126 709 R CA 2.669 58.731 56.100 -0.062 0.000 0.927 709 R CB -0.837 29.435 30.300 -0.047 0.000 0.860 709 R HN 0.338 nan 8.270 nan 0.000 0.433 710 D N -0.155 120.247 120.400 0.002 0.000 2.116 710 D HA -0.142 4.499 4.640 0.001 0.000 0.193 710 D C 1.611 177.964 176.300 0.089 0.000 0.998 710 D CA 1.835 55.864 54.000 0.048 0.000 0.836 710 D CB -0.537 40.272 40.800 0.015 0.000 0.951 710 D HN 0.384 nan 8.370 nan 0.000 0.449 711 D N 0.068 120.497 120.400 0.048 0.000 2.104 711 D HA -0.129 4.512 4.640 0.001 0.000 0.194 711 D C 1.594 177.977 176.300 0.139 0.000 0.994 711 D CA 1.085 55.136 54.000 0.085 0.000 0.830 711 D CB -0.256 40.562 40.800 0.030 0.000 0.959 711 D HN 0.129 nan 8.370 nan 0.000 0.452 712 D N -0.329 120.112 120.400 0.068 0.000 2.097 712 D HA -0.047 4.594 4.640 0.001 0.000 0.195 712 D C 2.135 178.560 176.300 0.209 0.000 0.989 712 D CA 0.752 54.808 54.000 0.094 0.000 0.827 712 D CB -0.010 40.667 40.800 -0.205 0.000 0.966 712 D HN 0.091 nan 8.370 nan 0.000 0.456 713 R N -0.752 119.818 120.500 0.116 0.000 2.105 713 R HA -0.169 4.172 4.340 0.001 0.000 0.239 713 R C 2.058 178.457 176.300 0.166 0.000 1.135 713 R CA 0.965 57.108 56.100 0.073 0.000 0.967 713 R CB -0.413 29.930 30.300 0.071 0.000 0.861 713 R HN 0.310 nan 8.270 nan 0.000 0.442 714 Y N 0.871 121.255 120.300 0.140 0.000 2.561 714 Y HA 0.015 4.566 4.550 0.001 0.000 0.291 714 Y C 1.683 177.676 175.900 0.156 0.000 1.141 714 Y CA 0.628 58.843 58.100 0.191 0.000 1.303 714 Y CB 0.152 38.725 38.460 0.189 0.000 1.015 714 Y HN -0.014 nan 8.280 nan 0.000 0.547 715 L N -1.720 119.616 121.223 0.188 0.000 2.068 715 L HA -0.144 4.196 4.340 0.001 0.000 0.204 715 L C 2.109 178.979 176.870 -0.000 0.000 1.076 715 L CA 1.086 55.991 54.840 0.108 0.000 0.753 715 L CB -0.585 41.594 42.059 0.200 0.000 0.910 715 L HN 0.226 nan 8.230 nan 0.000 0.439 716 F N 0.065 119.909 119.950 -0.177 0.000 2.202 716 F HA -0.297 4.230 4.527 0.001 0.000 0.301 716 F C 2.284 177.894 175.800 -0.316 0.000 1.082 716 F CA 1.322 59.093 58.000 -0.381 0.000 1.313 716 F CB 0.099 38.738 39.000 -0.602 0.000 1.024 716 F HN -0.023 nan 8.300 nan 0.000 0.495 717 L N 0.180 121.348 121.223 -0.092 0.000 2.109 717 L HA -0.142 4.199 4.340 0.001 0.000 0.207 717 L C 1.952 178.739 176.870 -0.138 0.000 1.086 717 L CA 1.733 56.611 54.840 0.065 0.000 0.760 717 L CB -0.674 41.499 42.059 0.191 0.000 0.910 717 L HN 0.234 nan 8.230 nan 0.000 0.437 718 E N 0.095 120.149 120.200 -0.242 0.000 2.204 718 E HA -0.166 4.185 4.350 0.001 0.000 0.194 718 E C 2.097 178.607 176.600 -0.151 0.000 0.989 718 E CA 0.934 57.211 56.400 -0.205 0.000 0.824 718 E CB 0.039 29.642 29.700 -0.161 0.000 0.756 718 E HN 0.614 nan 8.360 nan 0.000 0.477 719 A N 1.695 124.395 122.820 -0.200 0.000 1.832 719 A HA -0.175 4.146 4.320 0.001 0.000 0.214 719 A C 2.188 179.661 177.584 -0.185 0.000 1.200 719 A CA 1.040 52.945 52.037 -0.219 0.000 0.610 719 A CB -0.813 17.965 19.000 -0.371 0.000 0.842 719 A HN 0.224 nan 8.150 nan 0.000 0.444 720 L N -0.035 121.052 121.223 -0.226 0.000 2.021 720 L HA -0.217 4.123 4.340 0.001 0.000 0.215 720 L C 2.179 179.015 176.870 -0.056 0.000 1.074 720 L CA 1.878 56.647 54.840 -0.118 0.000 0.760 720 L CB -0.470 41.576 42.059 -0.022 0.000 0.889 720 L HN 0.405 nan 8.230 nan 0.000 0.433 721 I N -1.201 119.330 120.570 -0.065 0.000 2.226 721 I HA -0.226 3.945 4.170 0.001 0.000 0.245 721 I C 2.371 178.456 176.117 -0.053 0.000 1.100 721 I CA 1.439 62.704 61.300 -0.058 0.000 1.374 721 I CB -1.315 36.634 38.000 -0.085 0.000 1.057 721 I HN 0.263 nan 8.210 nan 0.000 0.413 722 S N 0.519 116.184 115.700 -0.059 0.000 2.496 722 S HA 0.165 4.636 4.470 0.001 0.000 0.224 722 S C 1.207 175.808 174.600 0.001 0.000 0.996 722 S CA 0.138 58.316 58.200 -0.037 0.000 0.927 722 S CB -0.163 63.023 63.200 -0.024 0.000 0.774 722 S HN 0.425 nan 8.310 nan 0.000 0.524 723 A N 1.957 124.773 122.820 -0.007 0.000 2.475 723 A HA 0.201 4.521 4.320 0.001 0.000 0.293 723 A C 1.107 178.719 177.584 0.048 0.000 1.252 723 A CA -0.301 51.746 52.037 0.017 0.000 0.920 723 A CB 0.046 19.034 19.000 -0.021 0.000 1.125 723 A HN 0.398 nan 8.150 nan 0.000 0.528 724 Q N 1.054 120.891 119.800 0.062 0.000 2.123 724 Q HA -0.163 4.177 4.340 0.001 0.000 0.199 724 Q C 1.513 177.612 176.000 0.165 0.000 0.966 724 Q CA 1.619 57.477 55.803 0.091 0.000 0.845 724 Q CB 0.147 28.916 28.738 0.052 0.000 0.907 724 Q HN 0.904 nan 8.270 nan 0.000 0.439 725 Q N -0.751 119.104 119.800 0.092 0.000 2.580 725 Q HA 0.133 4.474 4.340 0.001 0.000 0.239 725 Q C -0.436 175.562 176.000 -0.005 0.000 0.873 725 Q CA 0.671 56.505 55.803 0.052 0.000 0.951 725 Q CB 1.105 29.862 28.738 0.032 0.000 1.172 725 Q HN -0.151 nan 8.270 nan 0.000 0.616 726 K N 0.526 120.929 120.400 0.004 0.000 2.443 726 K HA 0.390 4.711 4.320 0.001 0.000 0.252 726 K C -1.565 175.032 176.600 -0.005 0.000 0.933 726 K CA -0.807 55.476 56.287 -0.006 0.000 0.792 726 K CB 2.172 34.675 32.500 0.005 0.000 1.185 726 K HN 0.066 nan 8.250 nan 0.000 0.425 727 L N 3.330 124.538 121.223 -0.025 0.000 2.305 727 L HA 0.395 4.736 4.340 0.001 0.000 0.284 727 L C -1.402 175.436 176.870 -0.053 0.000 1.013 727 L CA -0.626 54.176 54.840 -0.063 0.000 0.819 727 L CB 0.714 42.703 42.059 -0.116 0.000 1.227 727 L HN 0.544 nan 8.230 nan 0.000 0.417 728 Y N 5.844 126.051 120.300 -0.156 0.000 2.331 728 Y HA 0.669 5.219 4.550 0.001 0.000 0.338 728 Y C -0.788 175.020 175.900 -0.154 0.000 0.976 728 Y CA -0.565 57.467 58.100 -0.112 0.000 1.137 728 Y CB 1.045 39.458 38.460 -0.079 0.000 1.172 728 Y HN 0.546 nan 8.280 nan 0.000 0.478 729 I N 5.532 125.824 120.570 -0.464 0.000 2.418 729 I HA 0.357 4.528 4.170 0.001 0.000 0.287 729 I C -0.703 175.283 176.117 -0.219 0.000 1.008 729 I CA -0.502 60.596 61.300 -0.337 0.000 1.104 729 I CB 1.713 39.395 38.000 -0.529 0.000 1.264 729 I HN 0.542 nan 8.210 nan 0.000 0.438 730 S N 6.289 121.987 115.700 -0.003 0.000 2.541 730 S HA 0.783 5.253 4.470 0.001 0.000 0.280 730 S C -1.320 173.419 174.600 0.232 0.000 1.112 730 S CA -0.425 57.829 58.200 0.089 0.000 0.925 730 S CB 1.355 64.609 63.200 0.089 0.000 1.067 730 S HN 0.509 nan 8.310 nan 0.000 0.479 731 Y N 1.014 121.366 120.300 0.087 0.000 2.655 731 Y HA 0.742 5.292 4.550 0.001 0.000 0.336 731 Y C -1.259 174.691 175.900 0.083 0.000 1.154 731 Y CA -1.436 56.720 58.100 0.094 0.000 1.055 731 Y CB 0.632 39.146 38.460 0.090 0.000 1.295 731 Y HN 0.501 nan 8.280 nan 0.000 0.465 732 I N 2.011 122.702 120.570 0.202 0.000 2.371 732 I HA 0.332 4.503 4.170 0.001 0.000 0.290 732 I C 0.993 177.135 176.117 0.043 0.000 1.028 732 I CA -0.061 61.274 61.300 0.059 0.000 1.345 732 I CB 1.568 39.634 38.000 0.111 0.000 1.407 732 I HN 1.061 nan 8.210 nan 0.000 0.501 733 G N 6.554 115.262 108.800 -0.154 0.000 2.939 733 G HA2 0.156 4.117 3.960 0.001 0.000 0.210 733 G HA3 0.156 4.117 3.960 0.001 0.000 0.210 733 G C 0.353 175.169 174.900 -0.139 0.000 1.160 733 G CA -0.111 44.895 45.100 -0.155 0.000 0.770 733 G HN 0.702 nan 8.290 nan 0.000 0.543 734 R N -0.775 119.657 120.500 -0.113 0.000 3.329 734 R HA 0.268 4.609 4.340 0.001 0.000 0.251 734 R C -1.141 175.150 176.300 -0.014 0.000 1.023 734 R CA -0.584 55.475 56.100 -0.067 0.000 1.009 734 R CB -0.259 29.976 30.300 -0.109 0.000 1.250 734 R HN 0.109 nan 8.270 nan 0.000 0.518 735 S N 1.773 117.485 115.700 0.020 0.000 2.505 735 S HA 0.249 4.719 4.470 0.001 0.000 0.276 735 S C 0.914 175.539 174.600 0.042 0.000 1.274 735 S CA -0.857 57.365 58.200 0.035 0.000 1.053 735 S CB 0.150 63.373 63.200 0.038 0.000 0.919 735 S HN 0.514 nan 8.310 nan 0.000 0.490 736 I N 2.033 122.632 120.570 0.048 0.000 3.340 736 I HA 0.000 4.171 4.170 0.001 0.000 0.319 736 I C 1.168 177.301 176.117 0.028 0.000 1.092 736 I CA 0.404 61.731 61.300 0.045 0.000 1.258 736 I CB -2.185 35.828 38.000 0.021 0.000 1.005 736 I HN 0.871 nan 8.210 nan 0.000 0.582 737 Q N 0.594 120.412 119.800 0.030 0.000 1.749 737 Q HA 0.113 4.453 4.340 0.001 0.000 0.148 737 Q C 0.688 176.703 176.000 0.025 0.000 0.429 737 Q CA 0.031 55.849 55.803 0.024 0.000 0.698 737 Q CB -0.480 28.272 28.738 0.023 0.000 0.863 737 Q HN 0.282 nan 8.270 nan 0.000 0.272 738 D N 0.380 120.796 120.400 0.026 0.000 2.392 738 D HA -0.081 4.560 4.640 0.001 0.000 0.228 738 D C 0.270 176.587 176.300 0.027 0.000 1.003 738 D CA 0.889 54.904 54.000 0.026 0.000 0.917 738 D CB -0.285 40.531 40.800 0.027 0.000 0.890 738 D HN 0.567 nan 8.370 nan 0.000 0.532 739 N N -0.610 118.108 118.700 0.030 0.000 2.732 739 N HA -0.287 4.454 4.740 0.001 0.000 0.250 739 N C -0.527 174.995 175.510 0.020 0.000 1.097 739 N CA 1.000 54.068 53.050 0.029 0.000 0.812 739 N CB -1.390 37.115 38.487 0.030 0.000 1.148 739 N HN 0.471 nan 8.380 nan 0.000 0.572 740 S N -0.496 115.220 115.700 0.027 0.000 2.576 740 S HA 0.059 4.530 4.470 0.001 0.000 0.272 740 S C 0.210 174.823 174.600 0.022 0.000 1.352 740 S CA -0.345 57.875 58.200 0.033 0.000 1.021 740 S CB 1.320 64.550 63.200 0.051 0.000 0.887 740 S HN 0.344 nan 8.310 nan 0.000 0.542 741 E N 1.303 121.513 120.200 0.017 0.000 2.331 741 E HA 0.249 4.599 4.350 0.001 0.000 0.272 741 E C -0.179 176.427 176.600 0.010 0.000 1.036 741 E CA -0.771 55.600 56.400 -0.048 0.000 0.864 741 E CB 0.523 30.143 29.700 -0.134 0.000 1.035 741 E HN 0.545 nan 8.360 nan 0.000 0.408 742 R N 2.452 122.927 120.500 -0.043 0.000 2.893 742 R HA 0.533 4.873 4.340 0.001 0.000 0.245 742 R C -0.729 175.540 176.300 -0.052 0.000 1.192 742 R CA -0.649 55.522 56.100 0.119 0.000 1.077 742 R CB 0.567 30.945 30.300 0.130 0.000 1.253 742 R HN 0.489 nan 8.270 nan 0.000 0.505 743 F N 0.745 120.735 119.950 0.068 0.000 2.588 743 F HA 0.427 4.955 4.527 0.001 0.000 0.314 743 F C -1.865 173.845 175.800 -0.149 0.000 1.069 743 F CA -2.039 55.961 58.000 -0.001 0.000 0.931 743 F CB 2.501 41.483 39.000 -0.031 0.000 1.260 743 F HN 0.240 nan 8.300 nan 0.000 0.465 744 P HA 0.025 nan 4.420 nan 0.000 0.275 744 P C -0.425 176.715 177.300 -0.266 0.000 1.228 744 P CA -0.159 62.464 63.100 -0.794 0.000 0.786 744 P CB 1.540 32.444 31.700 -1.327 0.000 0.927 745 S N 2.003 117.589 115.700 -0.191 0.000 2.563 745 S HA -0.022 4.448 4.470 0.001 0.000 0.294 745 S C 1.779 176.294 174.600 -0.142 0.000 1.279 745 S CA -0.485 57.649 58.200 -0.111 0.000 1.069 745 S CB -0.302 62.852 63.200 -0.077 0.000 0.828 745 S HN 0.279 nan 8.310 nan 0.000 0.497 746 V N 6.820 126.676 119.914 -0.097 0.000 2.311 746 V HA -0.279 3.842 4.120 0.001 0.000 0.256 746 V C 2.229 178.275 176.094 -0.080 0.000 1.077 746 V CA 2.510 64.772 62.300 -0.063 0.000 1.067 746 V CB -0.686 31.113 31.823 -0.039 0.000 0.659 746 V HN 0.888 nan 8.190 nan 0.000 0.451 747 L N -1.120 119.949 121.223 -0.257 0.000 2.013 747 L HA -0.220 4.121 4.340 0.001 0.000 0.212 747 L C 2.426 179.142 176.870 -0.257 0.000 1.073 747 L CA 1.671 56.203 54.840 -0.514 0.000 0.753 747 L CB -0.635 40.552 42.059 -1.453 0.000 0.890 747 L HN 0.233 nan 8.230 nan 0.000 0.432 748 V N -0.644 119.146 119.914 -0.206 0.000 2.515 748 V HA -0.287 3.833 4.120 0.001 0.000 0.250 748 V C 2.406 178.632 176.094 0.219 0.000 1.058 748 V CA 1.658 64.075 62.300 0.195 0.000 1.064 748 V CB -0.264 31.651 31.823 0.153 0.000 0.675 748 V HN 0.457 nan 8.190 nan 0.000 0.461 749 Q N 0.560 120.410 119.800 0.083 0.000 2.079 749 Q HA -0.198 4.142 4.340 0.001 0.000 0.200 749 Q C 2.069 178.159 176.000 0.150 0.000 0.974 749 Q CA 1.860 57.710 55.803 0.079 0.000 0.840 749 Q CB -0.278 28.485 28.738 0.041 0.000 0.898 749 Q HN 0.686 nan 8.270 nan 0.000 0.430 750 E N -0.629 119.704 120.200 0.222 0.000 2.338 750 E HA -0.151 4.200 4.350 0.001 0.000 0.197 750 E C 1.473 178.283 176.600 0.349 0.000 1.007 750 E CA 0.505 57.075 56.400 0.283 0.000 0.849 750 E CB 0.029 29.973 29.700 0.406 0.000 0.774 750 E HN 0.249 nan 8.360 nan 0.000 0.506 751 L N 0.669 122.162 121.223 0.450 0.000 2.121 751 L HA -0.048 4.293 4.340 0.001 0.000 0.200 751 L C 1.987 179.057 176.870 0.333 0.000 1.077 751 L CA 1.180 56.318 54.840 0.497 0.000 0.766 751 L CB -0.303 42.166 42.059 0.684 0.000 0.931 751 L HN 0.057 nan 8.230 nan 0.000 0.452 752 I N -1.733 118.929 120.570 0.153 0.000 2.361 752 I HA -0.154 4.016 4.170 0.001 0.000 0.251 752 I C 1.837 177.947 176.117 -0.012 0.000 1.133 752 I CA 1.272 62.492 61.300 -0.133 0.000 1.413 752 I CB -1.430 36.245 38.000 -0.543 0.000 1.073 752 I HN 0.136 nan 8.210 nan 0.000 0.424 753 D N 0.030 120.470 120.400 0.067 0.000 2.144 753 D HA -0.218 4.423 4.640 0.001 0.000 0.199 753 D C 2.010 178.395 176.300 0.142 0.000 0.984 753 D CA 1.388 55.440 54.000 0.086 0.000 0.834 753 D CB -0.366 40.496 40.800 0.103 0.000 0.955 753 D HN 0.521 nan 8.370 nan 0.000 0.465 754 Y N 0.947 121.279 120.300 0.053 0.000 2.263 754 Y HA -0.078 4.473 4.550 0.001 0.000 0.292 754 Y C 1.926 177.882 175.900 0.094 0.000 1.130 754 Y CA 0.735 58.865 58.100 0.052 0.000 1.179 754 Y CB -0.137 38.342 38.460 0.032 0.000 0.998 754 Y HN -0.125 nan 8.280 nan 0.000 0.532 755 I N 0.077 120.676 120.570 0.049 0.000 2.113 755 I HA -0.243 3.928 4.170 0.001 0.000 0.238 755 I C 2.692 178.835 176.117 0.043 0.000 1.070 755 I CA 1.762 63.081 61.300 0.032 0.000 1.332 755 I CB -1.926 36.085 38.000 0.018 0.000 1.044 755 I HN 0.341 nan 8.210 nan 0.000 0.402 756 G N 0.321 109.125 108.800 0.006 0.000 2.450 756 G HA2 -0.257 3.704 3.960 0.001 0.000 0.220 756 G HA3 -0.257 3.704 3.960 0.001 0.000 0.220 756 G C 1.495 176.402 174.900 0.011 0.000 1.130 756 G CA 0.384 45.491 45.100 0.011 0.000 0.760 756 G HN 0.523 nan 8.290 nan 0.000 0.557 757 Q N -0.021 119.773 119.800 -0.010 0.000 2.482 757 Q HA 0.071 4.412 4.340 0.001 0.000 0.209 757 Q C 1.646 177.591 176.000 -0.091 0.000 0.961 757 Q CA 0.918 56.711 55.803 -0.017 0.000 0.945 757 Q CB 0.269 29.026 28.738 0.032 0.000 1.012 757 Q HN 0.580 nan 8.270 nan 0.000 0.515 758 S N -0.813 114.779 115.700 -0.179 0.000 3.021 758 S HA 0.206 4.677 4.470 0.001 0.000 0.252 758 S C -0.380 173.920 174.600 -0.499 0.000 0.996 758 S CA -0.719 57.282 58.200 -0.331 0.000 1.084 758 S CB 0.326 63.188 63.200 -0.564 0.000 1.021 758 S HN 0.165 nan 8.310 nan 0.000 0.566 759 H N 0.464 119.503 119.070 -0.051 0.000 3.017 759 H HA 0.478 5.035 4.556 0.001 0.000 0.346 759 H C -1.732 173.643 175.328 0.077 0.000 1.286 759 H CA -0.562 55.474 56.048 -0.020 0.000 1.120 759 H CB 1.992 31.697 29.762 -0.096 0.000 1.860 759 H HN 0.477 nan 8.280 nan 0.000 0.542 760 Y N -0.608 119.721 120.300 0.047 0.000 2.480 760 Y HA 0.451 5.001 4.550 0.001 0.000 0.329 760 Y C -1.794 174.080 175.900 -0.043 0.000 1.127 760 Y CA -1.054 57.033 58.100 -0.021 0.000 1.037 760 Y CB 0.633 39.066 38.460 -0.045 0.000 1.320 760 Y HN 0.399 nan 8.280 nan 0.000 0.446 761 L N 5.808 126.967 121.223 -0.106 0.000 2.439 761 L HA 0.231 4.572 4.340 0.001 0.000 0.269 761 L C -1.106 175.682 176.870 -0.137 0.000 1.179 761 L CA -1.712 52.999 54.840 -0.214 0.000 0.828 761 L CB 0.873 42.816 42.059 -0.193 0.000 1.106 761 L HN 0.592 nan 8.230 nan 0.000 0.467 762 P HA -0.226 nan 4.420 nan 0.000 0.216 762 P C 1.318 178.645 177.300 0.045 0.000 1.157 762 P CA 1.956 65.019 63.100 -0.062 0.000 0.880 762 P CB 0.063 31.715 31.700 -0.081 0.000 0.791 763 G N 1.880 110.684 108.800 0.007 0.000 2.639 763 G HA2 -0.211 3.749 3.960 0.001 0.000 0.216 763 G HA3 -0.211 3.749 3.960 0.001 0.000 0.216 763 G C 0.397 175.326 174.900 0.049 0.000 1.267 763 G CA 1.001 46.113 45.100 0.019 0.000 0.801 763 G HN 0.370 nan 8.290 nan 0.000 0.592 764 D N 1.115 121.548 120.400 0.055 0.000 2.429 764 D HA 0.091 4.731 4.640 0.001 0.000 0.253 764 D C 0.282 176.636 176.300 0.091 0.000 1.294 764 D CA 0.272 54.304 54.000 0.052 0.000 1.063 764 D CB 1.027 41.848 40.800 0.034 0.000 1.096 764 D HN 0.458 nan 8.370 nan 0.000 0.516 765 E N 0.454 120.658 120.200 0.006 0.000 2.413 765 E HA 0.173 4.523 4.350 0.001 0.000 0.203 765 E C 0.325 176.803 176.600 -0.203 0.000 0.957 765 E CA -0.003 56.309 56.400 -0.148 0.000 0.950 765 E CB 0.791 30.448 29.700 -0.071 0.000 0.957 765 E HN 0.501 nan 8.360 nan 0.000 0.497 766 A N 1.342 124.088 122.820 -0.123 0.000 2.893 766 A HA 0.460 4.781 4.320 0.001 0.000 0.333 766 A C 0.200 177.717 177.584 -0.113 0.000 1.152 766 A CA -0.432 51.529 52.037 -0.127 0.000 0.782 766 A CB -0.303 18.640 19.000 -0.094 0.000 1.108 766 A HN 0.245 nan 8.150 nan 0.000 0.469 767 L N -1.825 119.313 121.223 -0.143 0.000 2.437 767 L HA 0.674 5.015 4.340 0.001 0.000 0.188 767 L C 0.006 176.749 176.870 -0.212 0.000 1.123 767 L CA -0.143 54.616 54.840 -0.135 0.000 0.981 767 L CB 0.318 42.322 42.059 -0.091 0.000 1.935 767 L HN 0.416 nan 8.230 nan 0.000 0.494 768 N N -2.443 116.104 118.700 -0.255 0.000 4.409 768 N HA 0.215 4.956 4.740 0.001 0.000 0.208 768 N C -0.204 175.117 175.510 -0.315 0.000 1.233 768 N CA -0.076 52.721 53.050 -0.422 0.000 0.881 768 N CB 0.790 39.059 38.487 -0.363 0.000 1.507 768 N HN 0.259 nan 8.380 nan 0.000 0.511 769 C N 0.248 119.315 119.300 -0.387 0.000 2.496 769 C HA -0.059 4.402 4.460 0.001 0.000 0.281 769 C C 1.717 176.690 174.990 -0.028 0.000 1.250 769 C CA 1.260 60.205 59.018 -0.121 0.000 1.717 769 C CB -0.888 26.881 27.740 0.048 0.000 2.082 769 C HN 0.783 nan 8.230 nan 0.000 0.472 770 D N 0.636 121.061 120.400 0.041 0.000 2.123 770 D HA -0.137 4.503 4.640 0.001 0.000 0.196 770 D C 1.993 178.304 176.300 0.019 0.000 0.992 770 D CA 1.330 55.370 54.000 0.067 0.000 0.833 770 D CB -0.677 40.204 40.800 0.134 0.000 0.954 770 D HN 0.644 nan 8.370 nan 0.000 0.455 771 E N 0.403 120.592 120.200 -0.018 0.000 2.106 771 E HA -0.116 4.235 4.350 0.001 0.000 0.192 771 E C 2.210 178.797 176.600 -0.022 0.000 0.984 771 E CA 1.313 57.698 56.400 -0.024 0.000 0.806 771 E CB -0.057 29.614 29.700 -0.048 0.000 0.750 771 E HN 0.298 nan 8.360 nan 0.000 0.458 772 S N 0.877 116.557 115.700 -0.034 0.000 2.387 772 S HA -0.194 4.276 4.470 0.001 0.000 0.226 772 S C 2.046 176.656 174.600 0.016 0.000 1.026 772 S CA 1.080 59.278 58.200 -0.002 0.000 0.972 772 S CB -0.099 63.100 63.200 -0.002 0.000 0.814 772 S HN 0.283 nan 8.310 nan 0.000 0.477 773 E N 2.092 122.298 120.200 0.010 0.000 2.023 773 E HA -0.195 4.156 4.350 0.001 0.000 0.196 773 E C 2.244 178.847 176.600 0.005 0.000 1.003 773 E CA 1.237 57.646 56.400 0.015 0.000 0.809 773 E CB -0.686 29.026 29.700 0.020 0.000 0.755 773 E HN 0.584 nan 8.360 nan 0.000 0.449 774 A N 1.859 124.682 122.820 0.004 0.000 1.870 774 A HA -0.309 4.012 4.320 0.001 0.000 0.219 774 A C 2.203 179.785 177.584 -0.003 0.000 1.224 774 A CA 2.521 54.557 52.037 -0.001 0.000 0.650 774 A CB -1.002 18.001 19.000 0.004 0.000 0.836 774 A HN 0.378 nan 8.150 nan 0.000 0.454 775 R N -0.866 119.635 120.500 0.002 0.000 2.154 775 R HA -0.145 4.196 4.340 0.001 0.000 0.248 775 R C 1.950 178.260 176.300 0.018 0.000 1.155 775 R CA 1.536 57.641 56.100 0.008 0.000 0.979 775 R CB -0.843 29.457 30.300 -0.000 0.000 0.869 775 R HN 0.455 nan 8.270 nan 0.000 0.452 776 V N 1.287 121.201 119.914 0.001 0.000 2.273 776 V HA -0.196 3.924 4.120 0.001 0.000 0.242 776 V C 2.242 178.333 176.094 -0.006 0.000 1.035 776 V CA 1.588 63.885 62.300 -0.005 0.000 1.013 776 V CB -0.399 31.419 31.823 -0.010 0.000 0.652 776 V HN 0.256 nan 8.190 nan 0.000 0.452 777 K N 0.419 120.788 120.400 -0.052 0.000 2.032 777 K HA -0.193 4.128 4.320 0.001 0.000 0.209 777 K C 2.287 178.825 176.600 -0.104 0.000 1.048 777 K CA 1.659 57.870 56.287 -0.128 0.000 0.927 777 K CB -0.509 31.918 32.500 -0.122 0.000 0.712 777 K HN 0.457 nan 8.250 nan 0.000 0.441 778 A N 1.221 124.014 122.820 -0.046 0.000 1.978 778 A HA -0.231 4.089 4.320 0.001 0.000 0.220 778 A C 2.054 179.626 177.584 -0.020 0.000 1.170 778 A CA 1.587 53.602 52.037 -0.036 0.000 0.636 778 A CB -0.781 18.211 19.000 -0.013 0.000 0.810 778 A HN 0.420 nan 8.150 nan 0.000 0.448 779 H N -0.604 118.419 119.070 -0.078 0.000 2.395 779 H HA -0.028 4.528 4.556 0.001 0.000 0.299 779 H C 1.495 176.780 175.328 -0.072 0.000 1.070 779 H CA 1.490 57.497 56.048 -0.069 0.000 1.356 779 H CB 0.058 29.784 29.762 -0.061 0.000 1.401 779 H HN 0.312 nan 8.280 nan 0.000 0.524 780 L N 0.954 122.154 121.223 -0.039 0.000 2.270 780 L HA 0.033 4.373 4.340 0.001 0.000 0.210 780 L C 0.949 177.776 176.870 -0.070 0.000 1.104 780 L CA 0.719 55.534 54.840 -0.042 0.000 0.804 780 L CB -1.083 41.021 42.059 0.076 0.000 0.937 780 L HN 0.072 nan 8.230 nan 0.000 0.450 781 T N 0.326 114.808 114.554 -0.119 0.000 2.814 781 T HA 0.106 4.457 4.350 0.001 0.000 0.297 781 T C 0.031 174.623 174.700 -0.179 0.000 0.956 781 T CA -0.042 61.990 62.100 -0.112 0.000 1.123 781 T CB 0.948 69.751 68.868 -0.108 0.000 0.902 781 T HN 0.284 nan 8.240 nan 0.000 0.528 782 C N 7.463 126.616 119.300 -0.246 0.000 2.335 782 C HA 0.501 4.962 4.460 0.001 0.000 0.318 782 C C -0.047 174.720 174.990 -0.372 0.000 1.150 782 C CA -1.104 57.727 59.018 -0.312 0.000 1.466 782 C CB -1.609 25.921 27.740 -0.350 0.000 2.024 782 C HN 0.872 nan 8.230 nan 0.000 0.429 783 L N 7.918 128.975 121.223 -0.276 0.000 2.485 783 L HA 0.273 4.614 4.340 0.001 0.000 0.279 783 L C 0.864 177.605 176.870 -0.216 0.000 1.124 783 L CA 0.281 54.989 54.840 -0.219 0.000 0.888 783 L CB -0.276 41.701 42.059 -0.137 0.000 1.217 783 L HN 0.664 nan 8.230 nan 0.000 0.464 784 H N 1.572 120.633 119.070 -0.014 0.000 2.544 784 H HA 0.231 4.787 4.556 0.001 0.000 0.365 784 H C 0.362 175.754 175.328 0.107 0.000 1.268 784 H CA -0.198 55.869 56.048 0.031 0.000 1.400 784 H CB 1.327 31.108 29.762 0.031 0.000 1.538 784 H HN 0.544 nan 8.280 nan 0.000 0.597 785 T N -1.888 112.778 114.554 0.187 0.000 2.899 785 T HA 0.218 4.569 4.350 0.001 0.000 0.284 785 T C 1.404 175.951 174.700 -0.256 0.000 1.004 785 T CA -0.914 61.188 62.100 0.002 0.000 1.043 785 T CB 1.872 70.692 68.868 -0.079 0.000 1.013 785 T HN 0.594 nan 8.240 nan 0.000 0.518 786 R N 0.321 120.405 120.500 -0.693 0.000 2.066 786 R HA 0.045 4.386 4.340 0.001 0.000 0.232 786 R C 0.514 176.475 176.300 -0.566 0.000 1.131 786 R CA 0.941 56.470 56.100 -0.953 0.000 0.955 786 R CB 0.013 29.813 30.300 -0.834 0.000 0.851 786 R HN 0.551 nan 8.270 nan 0.000 0.432 787 M N 0.708 119.949 119.600 -0.598 0.000 2.472 787 M HA 0.257 4.738 4.480 0.001 0.000 0.331 787 M C -1.827 174.010 176.300 -0.771 0.000 1.170 787 M CA -3.000 51.800 55.300 -0.832 0.000 1.009 787 M CB 1.218 32.972 32.600 -1.410 0.000 1.672 787 M HN -0.053 nan 8.290 nan 0.000 0.453 788 P HA -0.067 nan 4.420 nan 0.000 0.225 788 P C 0.760 177.760 177.300 -0.500 0.000 1.156 788 P CA 1.224 63.948 63.100 -0.628 0.000 0.787 788 P CB -0.154 31.090 31.700 -0.760 0.000 0.802 789 F N -1.074 118.531 119.950 -0.575 0.000 2.664 789 F HA 0.385 4.913 4.527 0.001 0.000 0.301 789 F C 0.248 175.984 175.800 -0.107 0.000 1.126 789 F CA -1.792 56.044 58.000 -0.273 0.000 1.373 789 F CB -1.235 37.618 39.000 -0.246 0.000 1.042 789 F HN -0.249 nan 8.300 nan 0.000 0.535 790 D N 4.193 124.530 120.400 -0.104 0.000 2.383 790 D HA 0.040 4.680 4.640 0.001 0.000 0.252 790 D C -1.351 175.047 176.300 0.162 0.000 1.166 790 D CA -1.849 52.152 54.000 0.003 0.000 0.879 790 D CB 1.703 42.434 40.800 -0.114 0.000 1.164 790 D HN 0.023 nan 8.370 nan 0.000 0.462 791 P HA -0.209 nan 4.420 nan 0.000 0.217 791 P C 1.113 178.537 177.300 0.207 0.000 1.148 791 P CA 1.174 64.385 63.100 0.185 0.000 0.828 791 P CB 0.309 32.071 31.700 0.103 0.000 0.783 792 Q N -0.156 119.718 119.800 0.124 0.000 2.248 792 Q HA -0.174 4.167 4.340 0.001 0.000 0.208 792 Q C 1.705 177.750 176.000 0.076 0.000 0.984 792 Q CA 1.361 57.212 55.803 0.080 0.000 0.875 792 Q CB -0.797 27.965 28.738 0.040 0.000 0.910 792 Q HN 0.504 nan 8.270 nan 0.000 0.433 793 N N -0.960 117.809 118.700 0.116 0.000 2.521 793 N HA -0.089 4.652 4.740 0.001 0.000 0.188 793 N C -0.059 175.244 175.510 -0.345 0.000 1.146 793 N CA 0.414 53.428 53.050 -0.060 0.000 0.893 793 N CB 0.304 38.766 38.487 -0.041 0.000 0.975 793 N HN 0.225 nan 8.380 nan 0.000 0.451 794 Y N -0.239 120.082 120.300 0.035 0.000 2.707 794 Y HA 0.300 4.851 4.550 0.001 0.000 0.249 794 Y C 0.605 176.515 175.900 0.016 0.000 1.166 794 Y CA -0.535 57.583 58.100 0.030 0.000 1.184 794 Y CB 0.145 38.634 38.460 0.048 0.000 1.240 794 Y HN -0.041 nan 8.280 nan 0.000 0.547 795 Q N 1.687 121.543 119.800 0.095 0.000 2.315 795 Q HA 0.340 4.681 4.340 0.001 0.000 0.166 795 Q C -2.324 173.688 176.000 0.020 0.000 1.056 795 Q CA -1.803 54.035 55.803 0.059 0.000 1.061 795 Q CB 0.093 28.858 28.738 0.046 0.000 1.981 795 Q HN -0.034 nan 8.270 nan 0.000 0.530 796 P HA 0.425 nan 4.420 nan 0.000 0.301 796 P C -0.636 176.660 177.300 -0.006 0.000 1.350 796 P CA 0.016 63.113 63.100 -0.004 0.000 0.941 796 P CB 2.136 33.837 31.700 0.001 0.000 1.128 797 G N 2.102 110.895 108.800 -0.012 0.000 2.253 797 G HA2 -0.136 3.825 3.960 0.001 0.000 0.190 797 G HA3 -0.136 3.825 3.960 0.001 0.000 0.190 797 G C -0.784 174.116 174.900 -0.000 0.000 1.274 797 G CA -0.561 44.536 45.100 -0.005 0.000 1.275 797 G HN 0.639 nan 8.290 nan 0.000 0.518 798 E N 1.633 121.832 120.200 -0.003 0.000 2.463 798 E HA 0.301 4.652 4.350 0.001 0.000 0.248 798 E C 0.805 177.425 176.600 0.034 0.000 1.106 798 E CA 0.164 56.569 56.400 0.008 0.000 0.946 798 E CB -0.077 29.609 29.700 -0.023 0.000 0.971 798 E HN 0.561 nan 8.360 nan 0.000 0.478 799 R N 3.798 124.337 120.500 0.066 0.000 2.974 799 R HA -0.219 4.122 4.340 0.001 0.000 0.258 799 R C -0.966 175.349 176.300 0.025 0.000 0.892 799 R CA 0.414 56.569 56.100 0.093 0.000 0.664 799 R CB -0.735 29.658 30.300 0.155 0.000 1.478 799 R HN 0.711 nan 8.270 nan 0.000 0.498 800 Q N 1.090 120.874 119.800 -0.026 0.000 2.304 800 Q HA 0.127 4.468 4.340 0.001 0.000 0.260 800 Q C 0.391 176.281 176.000 -0.183 0.000 0.965 800 Q CA 0.077 55.789 55.803 -0.152 0.000 0.898 800 Q CB 1.530 30.166 28.738 -0.171 0.000 1.196 800 Q HN 0.396 nan 8.270 nan 0.000 0.402 801 S N 1.603 117.083 115.700 -0.365 0.000 2.566 801 S HA -0.029 4.441 4.470 0.001 0.000 0.280 801 S C -0.105 174.428 174.600 -0.112 0.000 1.343 801 S CA 0.008 58.071 58.200 -0.227 0.000 1.036 801 S CB 0.310 63.256 63.200 -0.422 0.000 0.866 801 S HN 0.530 nan 8.310 nan 0.000 0.526 802 Y N 1.831 122.103 120.300 -0.045 0.000 2.532 802 Y HA 0.424 4.975 4.550 0.002 0.000 0.283 802 Y C 0.979 176.923 175.900 0.073 0.000 1.181 802 Y CA 0.038 58.147 58.100 0.015 0.000 1.256 802 Y CB -0.063 38.406 38.460 0.015 0.000 1.112 802 Y HN 0.689 nan 8.280 nan 0.000 0.521 803 A N 0.313 123.277 122.820 0.239 0.000 2.690 803 A HA 0.360 4.681 4.320 0.001 0.000 0.342 803 A C 1.096 178.885 177.584 0.342 0.000 1.410 803 A CA -0.595 51.605 52.037 0.272 0.000 0.958 803 A CB 0.085 19.295 19.000 0.350 0.000 1.153 803 A HN 0.438 nan 8.150 nan 0.000 0.497 804 R N 1.240 121.864 120.500 0.206 0.000 2.152 804 R HA -0.183 4.157 4.340 0.001 0.000 0.232 804 R C 1.536 177.873 176.300 0.061 0.000 1.117 804 R CA 1.657 57.855 56.100 0.163 0.000 0.981 804 R CB -0.097 30.249 30.300 0.077 0.000 0.870 804 R HN 0.947 nan 8.270 nan 0.000 0.451 805 E N 0.173 120.358 120.200 -0.024 0.000 2.136 805 E HA -0.261 4.089 4.350 0.001 0.000 0.208 805 E C 1.450 177.876 176.600 -0.290 0.000 1.035 805 E CA 1.737 57.999 56.400 -0.231 0.000 0.838 805 E CB -0.568 28.889 29.700 -0.406 0.000 0.748 805 E HN 0.522 nan 8.360 nan 0.000 0.459 806 W N 1.139 122.457 121.300 0.029 0.000 2.658 806 W HA 0.220 4.880 4.660 0.000 0.000 0.263 806 W C 2.213 178.566 176.519 -0.277 0.000 1.274 806 W CA -0.358 56.959 57.345 -0.046 0.000 1.343 806 W CB -0.165 29.347 29.460 0.087 0.000 1.106 806 W HN 0.006 nan 8.180 nan 0.000 0.615 807 L N 1.781 122.888 121.223 -0.193 0.000 2.011 807 L HA -0.296 4.044 4.340 0.001 0.000 0.225 807 L C -0.021 176.730 176.870 -0.198 0.000 1.084 807 L CA 2.104 56.726 54.840 -0.365 0.000 0.791 807 L CB -1.704 40.290 42.059 -0.109 0.000 0.898 807 L HN -0.112 nan 8.230 nan 0.000 0.440 808 P HA -0.228 nan 4.420 nan 0.000 0.215 808 P C 1.194 178.445 177.300 -0.081 0.000 1.157 808 P CA 2.407 65.459 63.100 -0.079 0.000 0.874 808 P CB -0.131 31.527 31.700 -0.070 0.000 0.790 809 A N 0.140 122.918 122.820 -0.070 0.000 2.014 809 A HA 0.089 4.409 4.320 0.001 0.000 0.218 809 A C 2.488 180.020 177.584 -0.086 0.000 1.163 809 A CA 1.664 53.642 52.037 -0.098 0.000 0.652 809 A CB -1.362 17.570 19.000 -0.114 0.000 0.808 809 A HN 0.245 nan 8.150 nan 0.000 0.449 810 A N 0.307 123.080 122.820 -0.079 0.000 1.969 810 A HA -0.010 4.311 4.320 0.001 0.000 0.218 810 A C 2.059 179.613 177.584 -0.051 0.000 1.169 810 A CA 1.741 53.734 52.037 -0.073 0.000 0.635 810 A CB -0.620 18.180 19.000 -0.334 0.000 0.810 810 A HN 0.827 nan 8.150 nan 0.000 0.445 811 S N -0.495 115.162 115.700 -0.071 0.000 2.622 811 S HA 0.230 4.701 4.470 0.001 0.000 0.236 811 S C 0.282 174.861 174.600 -0.035 0.000 0.956 811 S CA 0.192 58.368 58.200 -0.039 0.000 0.971 811 S CB -0.320 62.856 63.200 -0.040 0.000 0.782 811 S HN 0.580 nan 8.310 nan 0.000 0.468 812 Q N -0.128 119.646 119.800 -0.044 0.000 2.408 812 Q HA -0.256 4.085 4.340 0.001 0.000 0.290 812 Q C 0.620 176.592 176.000 -0.047 0.000 1.221 812 Q CA 0.648 56.423 55.803 -0.048 0.000 0.895 812 Q CB -2.121 26.599 28.738 -0.029 0.000 1.241 812 Q HN 0.846 nan 8.270 nan 0.000 0.494 813 A N 0.158 122.947 122.820 -0.052 0.000 2.579 813 A HA 0.473 4.794 4.320 0.001 0.000 0.273 813 A C 0.938 178.490 177.584 -0.052 0.000 1.363 813 A CA 0.350 52.360 52.037 -0.045 0.000 0.953 813 A CB 0.093 19.069 19.000 -0.041 0.000 1.034 813 A HN 0.449 nan 8.150 nan 0.000 0.536 814 G N 0.232 108.993 108.800 -0.065 0.000 2.547 814 G HA2 0.489 4.450 3.960 0.001 0.000 0.291 814 G HA3 0.489 4.450 3.960 0.001 0.000 0.291 814 G C -0.108 174.753 174.900 -0.064 0.000 1.211 814 G CA -0.687 44.367 45.100 -0.076 0.000 0.950 814 G HN 0.465 nan 8.290 nan 0.000 0.504 815 K N 0.206 120.564 120.400 -0.070 0.000 2.621 815 K HA 0.599 4.919 4.320 0.001 0.000 0.233 815 K C -0.178 176.377 176.600 -0.075 0.000 0.972 815 K CA -0.541 55.716 56.287 -0.050 0.000 0.988 815 K CB 1.373 33.859 32.500 -0.024 0.000 1.187 815 K HN 0.585 nan 8.250 nan 0.000 0.471 816 A N 3.819 126.592 122.820 -0.078 0.000 2.598 816 A HA -0.053 4.268 4.320 0.001 0.000 0.239 816 A C 0.056 177.624 177.584 -0.027 0.000 1.032 816 A CA 0.260 52.237 52.037 -0.100 0.000 0.760 816 A CB -0.447 18.530 19.000 -0.039 0.000 0.946 816 A HN 0.713 nan 8.150 nan 0.000 0.512 817 H N 1.779 120.872 119.070 0.039 0.000 3.173 817 H HA 0.036 4.593 4.556 0.001 0.000 0.311 817 H C 1.114 176.486 175.328 0.073 0.000 0.972 817 H CA 1.216 57.301 56.048 0.061 0.000 1.384 817 H CB 0.103 29.909 29.762 0.073 0.000 1.349 817 H HN 0.777 nan 8.280 nan 0.000 0.582 818 S N 2.149 117.976 115.700 0.211 0.000 2.545 818 S HA 0.102 4.573 4.470 0.001 0.000 0.275 818 S C 0.293 174.992 174.600 0.164 0.000 1.299 818 S CA -1.112 57.175 58.200 0.145 0.000 1.048 818 S CB 1.582 64.844 63.200 0.103 0.000 0.938 818 S HN 0.602 nan 8.310 nan 0.000 0.496 819 E N 2.156 122.440 120.200 0.139 0.000 3.072 819 E HA -0.162 4.189 4.350 0.001 0.000 0.241 819 E C 0.204 176.905 176.600 0.168 0.000 0.962 819 E CA -0.015 56.480 56.400 0.158 0.000 0.955 819 E CB -0.556 29.209 29.700 0.109 0.000 0.899 819 E HN 0.662 nan 8.360 nan 0.000 0.547 820 F N 4.914 124.923 119.950 0.097 0.000 2.147 820 F HA -0.178 4.349 4.527 0.001 0.000 0.301 820 F C 1.026 176.872 175.800 0.077 0.000 1.084 820 F CA 1.653 59.711 58.000 0.096 0.000 1.268 820 F CB -0.003 39.076 39.000 0.132 0.000 1.009 820 F HN 0.406 nan 8.300 nan 0.000 0.486 821 V N 3.719 123.604 119.914 -0.048 0.000 2.405 821 V HA 0.268 4.389 4.120 0.001 0.000 0.264 821 V C -0.882 175.121 176.094 -0.151 0.000 1.048 821 V CA -0.366 61.818 62.300 -0.193 0.000 0.966 821 V CB 0.460 32.254 31.823 -0.048 0.000 1.015 821 V HN 0.208 nan 8.190 nan 0.000 0.477 822 Q N 8.342 128.022 119.800 -0.200 0.000 2.347 822 Q HA 0.438 4.779 4.340 0.001 0.000 0.265 822 Q C -2.578 173.371 176.000 -0.084 0.000 1.024 822 Q CA -1.848 53.888 55.803 -0.112 0.000 0.731 822 Q CB 1.861 30.536 28.738 -0.106 0.000 1.245 822 Q HN 0.694 nan 8.270 nan 0.000 0.472 823 P HA -0.051 nan 4.420 nan 0.000 0.261 823 P C -0.636 176.666 177.300 0.003 0.000 1.165 823 P CA 0.453 63.538 63.100 -0.026 0.000 0.759 823 P CB 0.691 32.382 31.700 -0.014 0.000 0.772 824 L N 5.924 127.171 121.223 0.039 0.000 2.298 824 L HA 0.363 4.704 4.340 0.001 0.000 0.284 824 L C -1.809 175.110 176.870 0.081 0.000 1.013 824 L CA -2.570 52.299 54.840 0.048 0.000 0.824 824 L CB 1.663 43.752 42.059 0.049 0.000 1.221 824 L HN 0.240 nan 8.230 nan 0.000 0.418 825 P HA -0.089 nan 4.420 nan 0.000 0.261 825 P C -1.066 176.328 177.300 0.157 0.000 1.173 825 P CA 0.348 63.499 63.100 0.085 0.000 0.760 825 P CB 0.493 32.217 31.700 0.040 0.000 0.783 826 F N 3.213 123.156 119.950 -0.011 0.000 2.529 826 F HA 0.400 4.928 4.527 0.001 0.000 0.320 826 F C -0.403 175.395 175.800 -0.004 0.000 1.118 826 F CA -0.505 57.487 58.000 -0.014 0.000 0.915 826 F CB 1.755 40.741 39.000 -0.022 0.000 1.161 826 F HN 0.202 nan 8.300 nan 0.000 0.445 827 T N 5.177 119.263 114.554 -0.780 0.000 2.853 827 T HA 0.354 4.704 4.350 0.001 0.000 0.317 827 T C -0.436 173.702 174.700 -0.936 0.000 1.059 827 T CA -0.632 61.094 62.100 -0.623 0.000 0.954 827 T CB 0.616 69.279 68.868 -0.342 0.000 0.994 827 T HN 0.628 nan 8.240 nan 0.000 0.479 828 L N 7.213 128.055 121.223 -0.636 0.000 2.678 828 L HA 0.221 4.562 4.340 0.001 0.000 0.276 828 L C -1.061 175.690 176.870 -0.199 0.000 1.142 828 L CA -1.075 53.574 54.840 -0.318 0.000 0.961 828 L CB -0.310 41.738 42.059 -0.018 0.000 1.291 828 L HN 0.478 nan 8.230 nan 0.000 0.476 829 P HA 0.052 nan 4.420 nan 0.000 0.309 829 P C -1.079 176.181 177.300 -0.066 0.000 1.423 829 P CA 0.101 63.139 63.100 -0.104 0.000 0.814 829 P CB 0.406 32.065 31.700 -0.070 0.000 1.900 830 E N -1.601 118.566 120.200 -0.055 0.000 2.506 830 E HA 0.353 4.703 4.350 0.001 0.000 0.308 830 E C -1.479 175.093 176.600 -0.048 0.000 0.931 830 E CA -0.403 55.968 56.400 -0.048 0.000 0.800 830 E CB 1.216 30.891 29.700 -0.041 0.000 1.292 830 E HN 0.684 nan 8.360 nan 0.000 0.401 831 T N -1.623 112.898 114.554 -0.054 0.000 2.676 831 T HA -0.103 4.248 4.350 0.001 0.000 0.495 831 T C -0.627 174.032 174.700 -0.068 0.000 0.810 831 T CA 0.051 62.120 62.100 -0.052 0.000 2.623 831 T CB -2.276 66.568 68.868 -0.039 0.000 1.737 831 T HN 0.727 nan 8.240 nan 0.000 0.599 832 V N 0.669 120.526 119.914 -0.095 0.000 2.349 832 V HA 0.794 4.914 4.120 0.001 0.000 0.284 832 V C -2.325 173.714 176.094 -0.092 0.000 1.014 832 V CA -2.583 59.638 62.300 -0.132 0.000 0.826 832 V CB 1.216 32.869 31.823 -0.283 0.000 1.009 832 V HN 0.643 nan 8.190 nan 0.000 0.431 833 P HA -0.059 nan 4.420 nan 0.000 0.261 833 P C 1.135 178.422 177.300 -0.022 0.000 1.165 833 P CA 0.173 63.252 63.100 -0.035 0.000 0.759 833 P CB 0.544 32.226 31.700 -0.030 0.000 0.772 834 L N 4.656 125.879 121.223 0.001 0.000 2.064 834 L HA -0.238 4.103 4.340 0.001 0.000 0.216 834 L C 2.025 178.919 176.870 0.041 0.000 1.077 834 L CA 2.199 57.052 54.840 0.023 0.000 0.766 834 L CB -1.020 41.069 42.059 0.050 0.000 0.890 834 L HN 0.519 nan 8.230 nan 0.000 0.435 835 E N -0.726 119.496 120.200 0.037 0.000 2.097 835 E HA -0.282 4.069 4.350 0.001 0.000 0.196 835 E C 1.787 178.433 176.600 0.077 0.000 1.000 835 E CA 2.085 58.516 56.400 0.052 0.000 0.804 835 E CB -1.057 28.662 29.700 0.031 0.000 0.740 835 E HN 0.661 nan 8.360 nan 0.000 0.454 836 T N -0.725 113.865 114.554 0.061 0.000 3.007 836 T HA -0.018 4.333 4.350 0.001 0.000 0.270 836 T C 2.039 176.854 174.700 0.191 0.000 1.107 836 T CA 0.621 62.788 62.100 0.112 0.000 1.118 836 T CB -0.220 68.691 68.868 0.071 0.000 0.889 836 T HN 0.120 nan 8.240 nan 0.000 0.506 837 L N -0.201 121.110 121.223 0.147 0.000 2.249 837 L HA 0.102 4.442 4.340 0.001 0.000 0.207 837 L C 3.090 180.219 176.870 0.431 0.000 1.090 837 L CA 0.756 55.770 54.840 0.289 0.000 0.802 837 L CB -0.342 41.825 42.059 0.179 0.000 0.947 837 L HN 0.315 nan 8.230 nan 0.000 0.453 838 Q N 0.405 120.359 119.800 0.257 0.000 2.046 838 Q HA -0.190 4.150 4.340 0.001 0.000 0.200 838 Q C 2.109 178.242 176.000 0.220 0.000 0.975 838 Q CA 1.533 57.470 55.803 0.223 0.000 0.836 838 Q CB -0.148 28.666 28.738 0.126 0.000 0.896 838 Q HN 0.528 nan 8.270 nan 0.000 0.428 839 R N -0.223 120.379 120.500 0.170 0.000 2.280 839 R HA -0.049 4.291 4.340 0.001 0.000 0.207 839 R C 1.834 178.187 176.300 0.087 0.000 1.043 839 R CA 0.853 57.017 56.100 0.106 0.000 1.006 839 R CB -0.417 29.922 30.300 0.064 0.000 0.885 839 R HN 0.171 nan 8.270 nan 0.000 0.467 840 F N 1.016 120.991 119.950 0.042 0.000 2.098 840 F HA 0.075 4.603 4.527 0.001 0.000 0.294 840 F C 0.629 176.314 175.800 -0.192 0.000 1.107 840 F CA 0.253 58.184 58.000 -0.114 0.000 1.234 840 F CB -0.102 38.830 39.000 -0.114 0.000 1.002 840 F HN -0.095 nan 8.300 nan 0.000 0.472 841 W N -0.292 120.982 121.300 -0.043 0.000 1.738 841 W HA 0.416 5.077 4.660 0.001 0.000 0.433 841 W C 1.317 177.785 176.519 -0.085 0.000 1.942 841 W CA 0.365 57.636 57.345 -0.124 0.000 2.155 841 W CB -0.654 28.847 29.460 0.067 0.000 1.489 841 W HN 0.155 nan 8.180 nan 0.000 0.768 842 A N 0.841 123.811 122.820 0.250 0.000 2.832 842 A HA -0.298 4.023 4.320 0.001 0.000 0.280 842 A C -0.068 177.595 177.584 0.133 0.000 1.464 842 A CA 1.781 53.905 52.037 0.146 0.000 0.804 842 A CB -2.391 16.680 19.000 0.119 0.000 1.020 842 A HN 1.228 nan 8.150 nan 0.000 0.563 843 H N -3.547 115.486 119.070 -0.061 0.000 5.855 843 H HA -0.027 4.530 4.556 0.001 0.000 0.810 843 H C -2.310 172.760 175.328 -0.430 0.000 1.878 843 H CA -0.164 55.786 56.048 -0.163 0.000 1.453 843 H CB -0.172 29.489 29.762 -0.168 0.000 4.162 843 H HN 0.249 nan 8.280 nan 0.000 0.672 844 P HA -0.069 nan 4.420 nan 0.000 0.216 844 P C 1.549 178.579 177.300 -0.450 0.000 1.156 844 P CA 1.000 63.561 63.100 -0.899 0.000 0.855 844 P CB 0.415 31.481 31.700 -1.057 0.000 0.786 845 V N 2.256 122.100 119.914 -0.117 0.000 2.250 845 V HA -0.286 3.834 4.120 0.001 0.000 0.250 845 V C 3.128 179.148 176.094 -0.123 0.000 1.060 845 V CA 2.633 64.928 62.300 -0.007 0.000 1.030 845 V CB -1.361 30.475 31.823 0.022 0.000 0.643 845 V HN 0.151 nan 8.190 nan 0.000 0.445 846 R N 0.827 120.883 120.500 -0.740 0.000 2.113 846 R HA -0.255 4.086 4.340 0.001 0.000 0.244 846 R C 2.243 178.122 176.300 -0.702 0.000 1.142 846 R CA 2.276 57.590 56.100 -1.309 0.000 0.953 846 R CB -0.693 28.311 30.300 -2.160 0.000 0.860 846 R HN 0.448 nan 8.270 nan 0.000 0.438 847 A N 0.549 123.046 122.820 -0.537 0.000 1.948 847 A HA -0.220 4.101 4.320 0.001 0.000 0.220 847 A C 2.051 179.552 177.584 -0.138 0.000 1.177 847 A CA 1.565 53.416 52.037 -0.310 0.000 0.636 847 A CB -0.885 17.918 19.000 -0.328 0.000 0.815 847 A HN 0.648 nan 8.150 nan 0.000 0.449 848 F N -0.989 118.846 119.950 -0.191 0.000 2.259 848 F HA -0.024 4.504 4.527 0.001 0.000 0.298 848 F C 1.723 177.414 175.800 -0.181 0.000 1.088 848 F CA 1.284 59.179 58.000 -0.176 0.000 1.358 848 F CB -0.164 38.741 39.000 -0.159 0.000 1.040 848 F HN 0.192 nan 8.300 nan 0.000 0.505 849 F N 0.745 120.633 119.950 -0.103 0.000 2.118 849 F HA -0.083 4.445 4.527 0.001 0.000 0.293 849 F C 2.589 178.282 175.800 -0.178 0.000 1.102 849 F CA 1.620 59.579 58.000 -0.068 0.000 1.247 849 F CB -0.913 38.214 39.000 0.211 0.000 1.017 849 F HN -0.101 nan 8.300 nan 0.000 0.475 850 Q N -0.678 119.073 119.800 -0.081 0.000 2.123 850 Q HA -0.135 4.206 4.340 0.001 0.000 0.199 850 Q C 2.166 178.089 176.000 -0.129 0.000 0.966 850 Q CA 1.310 57.041 55.803 -0.120 0.000 0.845 850 Q CB -0.064 28.539 28.738 -0.226 0.000 0.907 850 Q HN 0.451 nan 8.270 nan 0.000 0.439 851 M N -0.677 118.822 119.600 -0.168 0.000 2.171 851 M HA -0.053 4.428 4.480 0.001 0.000 0.260 851 M C 2.207 178.386 176.300 -0.203 0.000 1.087 851 M CA 0.953 56.165 55.300 -0.146 0.000 1.154 851 M CB -0.012 32.514 32.600 -0.125 0.000 1.331 851 M HN -0.056 nan 8.290 nan 0.000 0.431 852 R N 1.484 121.770 120.500 -0.357 0.000 2.092 852 R HA -0.080 4.261 4.340 0.001 0.000 0.231 852 R C 0.529 176.602 176.300 -0.378 0.000 1.119 852 R CA 1.443 57.279 56.100 -0.441 0.000 0.970 852 R CB -0.450 29.363 30.300 -0.811 0.000 0.864 852 R HN 0.403 nan 8.270 nan 0.000 0.440 853 L N -0.865 120.127 121.223 -0.384 0.000 3.186 853 L HA 0.436 4.777 4.340 0.001 0.000 0.317 853 L C -0.640 176.147 176.870 -0.138 0.000 1.296 853 L CA -0.465 54.227 54.840 -0.248 0.000 0.870 853 L CB 0.105 41.993 42.059 -0.285 0.000 1.302 853 L HN -0.018 nan 8.230 nan 0.000 0.590 854 Q N -0.046 119.685 119.800 -0.114 0.000 2.349 854 Q HA -0.173 4.168 4.340 0.001 0.000 0.340 854 Q C -0.336 175.632 176.000 -0.054 0.000 1.268 854 Q CA 0.658 56.419 55.803 -0.070 0.000 1.017 854 Q CB -1.365 27.337 28.738 -0.060 0.000 1.258 854 Q HN 0.495 nan 8.270 nan 0.000 0.438 855 V N 1.930 121.837 119.914 -0.012 0.000 2.294 855 V HA 0.233 4.354 4.120 0.001 0.000 0.272 855 V C 0.145 176.292 176.094 0.090 0.000 1.027 855 V CA -0.612 61.670 62.300 -0.031 0.000 0.823 855 V CB 1.204 33.088 31.823 0.101 0.000 1.030 855 V HN 0.321 nan 8.190 nan 0.000 0.457 856 N N 5.050 123.744 118.700 -0.010 0.000 2.626 856 N HA 0.337 5.077 4.740 0.001 0.000 0.249 856 N C -0.707 174.820 175.510 0.028 0.000 1.021 856 N CA -0.433 52.746 53.050 0.214 0.000 0.886 856 N CB 1.389 39.963 38.487 0.144 0.000 1.149 856 N HN 0.467 nan 8.380 nan 0.000 0.517 857 F N 1.605 121.536 119.950 -0.032 0.000 2.626 857 F HA 0.088 4.615 4.527 0.001 0.000 0.368 857 F C 1.351 177.060 175.800 -0.152 0.000 1.227 857 F CA -0.328 57.558 58.000 -0.189 0.000 1.302 857 F CB -0.565 38.181 39.000 -0.423 0.000 1.733 857 F HN 0.048 nan 8.300 nan 0.000 0.672 858 R N 0.756 121.288 120.500 0.053 0.000 2.583 858 R HA 0.159 4.499 4.340 0.001 0.000 0.274 858 R C 0.227 176.535 176.300 0.013 0.000 0.998 858 R CA 0.399 56.525 56.100 0.042 0.000 1.081 858 R CB -0.043 30.273 30.300 0.026 0.000 0.940 858 R HN 0.360 nan 8.270 nan 0.000 0.413 859 T N 0.096 114.653 114.554 0.006 0.000 3.009 859 T HA 0.365 4.716 4.350 0.001 0.000 0.346 859 T C -0.595 174.104 174.700 -0.002 0.000 1.092 859 T CA -0.932 61.161 62.100 -0.012 0.000 1.080 859 T CB 0.927 69.771 68.868 -0.039 0.000 1.037 859 T HN 0.677 nan 8.240 nan 0.000 0.487 860 E N 1.936 122.135 120.200 -0.003 0.000 2.307 860 E HA 0.389 4.740 4.350 0.001 0.000 0.280 860 E C -1.234 175.363 176.600 -0.006 0.000 0.900 860 E CA -0.470 55.930 56.400 -0.000 0.000 0.790 860 E CB 1.462 31.164 29.700 0.004 0.000 1.261 860 E HN 0.490 nan 8.360 nan 0.000 0.405 861 D N 2.249 122.647 120.400 -0.004 0.000 2.285 861 D HA -0.072 4.568 4.640 0.001 0.000 0.628 861 D C -0.833 175.468 176.300 0.001 0.000 0.853 861 D CA 0.892 54.889 54.000 -0.005 0.000 1.175 861 D CB 0.096 40.892 40.800 -0.006 0.000 1.489 861 D HN 0.479 nan 8.370 nan 0.000 0.376 862 S N 1.955 117.657 115.700 0.003 0.000 4.678 862 S HA -0.276 4.195 4.470 0.001 0.000 0.562 862 S C 0.369 174.974 174.600 0.008 0.000 0.956 862 S CA 0.707 58.911 58.200 0.007 0.000 1.106 862 S CB -0.558 62.651 63.200 0.016 0.000 1.970 862 S HN 0.419 nan 8.310 nan 0.000 0.358 863 E N 2.142 122.345 120.200 0.005 0.000 2.975 863 E HA -0.090 4.261 4.350 0.001 0.000 0.269 863 E C -0.183 176.422 176.600 0.007 0.000 0.905 863 E CA 0.325 56.728 56.400 0.005 0.000 0.967 863 E CB 0.195 29.897 29.700 0.003 0.000 0.925 863 E HN 0.621 nan 8.360 nan 0.000 0.507 864 I N 6.945 127.519 120.570 0.007 0.000 2.342 864 I HA 0.180 4.351 4.170 0.001 0.000 0.291 864 I C -1.955 174.164 176.117 0.003 0.000 1.010 864 I CA -2.389 58.914 61.300 0.004 0.000 1.308 864 I CB 1.144 39.146 38.000 0.003 0.000 1.400 864 I HN 0.440 nan 8.210 nan 0.000 0.488 865 P HA -0.054 nan 4.420 nan 0.000 0.255 865 P C -0.269 177.035 177.300 0.007 0.000 1.173 865 P CA 0.190 63.287 63.100 -0.006 0.000 0.780 865 P CB 0.192 31.874 31.700 -0.030 0.000 0.758 866 D N 0.897 121.309 120.400 0.021 0.000 2.400 866 D HA -0.020 4.621 4.640 0.001 0.000 0.242 866 D C 0.860 177.198 176.300 0.063 0.000 1.077 866 D CA 1.088 55.108 54.000 0.033 0.000 0.943 866 D CB -0.064 40.753 40.800 0.028 0.000 0.882 866 D HN 0.313 nan 8.370 nan 0.000 0.529 867 T N -1.687 112.901 114.554 0.057 0.000 2.700 867 T HA 0.175 4.525 4.350 0.001 0.000 0.307 867 T C -1.211 173.423 174.700 -0.111 0.000 1.580 867 T CA -0.988 61.162 62.100 0.084 0.000 0.992 867 T CB 1.178 70.152 68.868 0.176 0.000 1.577 867 T HN 0.005 nan 8.240 nan 0.000 0.496 868 E N 1.701 121.704 120.200 -0.328 0.000 2.397 868 E HA 0.375 4.725 4.350 0.001 0.000 0.254 868 E C -2.377 173.757 176.600 -0.777 0.000 1.231 868 E CA -1.624 54.309 56.400 -0.778 0.000 0.954 868 E CB 0.034 29.045 29.700 -1.148 0.000 1.024 868 E HN 0.455 nan 8.360 nan 0.000 0.481 869 P HA 0.156 nan 4.420 nan 0.000 0.292 869 P C -0.826 176.177 177.300 -0.495 0.000 1.326 869 P CA -0.220 62.596 63.100 -0.472 0.000 0.787 869 P CB 0.178 31.690 31.700 -0.314 0.000 0.903 870 F N 2.438 122.289 119.950 -0.166 0.000 2.622 870 F HA 0.278 4.805 4.527 0.001 0.000 0.288 870 F C 1.168 176.883 175.800 -0.143 0.000 1.120 870 F CA 0.260 58.169 58.000 -0.151 0.000 1.423 870 F CB 0.551 39.462 39.000 -0.149 0.000 1.127 870 F HN 0.138 nan 8.300 nan 0.000 0.588 871 I N 0.488 121.076 120.570 0.030 0.000 2.865 871 I HA 0.361 4.531 4.170 0.001 0.000 0.302 871 I C -1.083 174.932 176.117 -0.170 0.000 1.140 871 I CA -1.099 60.165 61.300 -0.060 0.000 1.021 871 I CB 2.384 40.388 38.000 0.007 0.000 1.233 871 I HN -0.216 nan 8.210 nan 0.000 0.427 872 L N 5.423 126.486 121.223 -0.266 0.000 2.305 872 L HA 0.483 4.824 4.340 0.001 0.000 0.284 872 L C -0.196 176.632 176.870 -0.070 0.000 1.013 872 L CA -0.094 54.579 54.840 -0.278 0.000 0.819 872 L CB 1.197 42.840 42.059 -0.692 0.000 1.227 872 L HN 0.625 nan 8.230 nan 0.000 0.417 873 E N 2.558 122.745 120.200 -0.021 0.000 2.454 873 E HA 0.661 5.012 4.350 0.001 0.000 0.279 873 E C 0.150 176.780 176.600 0.049 0.000 1.029 873 E CA -0.520 55.900 56.400 0.033 0.000 0.831 873 E CB 1.352 31.065 29.700 0.023 0.000 1.405 873 E HN 0.573 nan 8.360 nan 0.000 0.463 874 G N 0.879 109.716 108.800 0.061 0.000 2.602 874 G HA2 -0.378 3.583 3.960 0.001 0.000 0.306 874 G HA3 -0.378 3.583 3.960 0.001 0.000 0.306 874 G C 0.872 175.833 174.900 0.102 0.000 1.301 874 G CA 0.631 45.768 45.100 0.062 0.000 0.974 874 G HN 0.580 nan 8.290 nan 0.000 0.547 875 L N 0.208 121.485 121.223 0.091 0.000 2.089 875 L HA -0.194 4.146 4.340 0.001 0.000 0.213 875 L C 3.295 180.278 176.870 0.188 0.000 1.079 875 L CA 2.407 57.334 54.840 0.145 0.000 0.758 875 L CB -0.621 41.502 42.059 0.105 0.000 0.891 875 L HN 0.598 nan 8.230 nan 0.000 0.433 876 S N -0.466 115.301 115.700 0.112 0.000 2.349 876 S HA -0.247 4.224 4.470 0.001 0.000 0.216 876 S C 1.924 176.583 174.600 0.098 0.000 1.033 876 S CA 1.624 59.869 58.200 0.075 0.000 1.021 876 S CB -0.450 62.753 63.200 0.005 0.000 0.968 876 S HN 0.455 nan 8.310 nan 0.000 0.426 877 R N 0.314 120.879 120.500 0.108 0.000 2.133 877 R HA -0.250 4.091 4.340 0.001 0.000 0.247 877 R C 2.150 178.580 176.300 0.215 0.000 1.151 877 R CA 1.936 58.144 56.100 0.180 0.000 0.971 877 R CB -0.815 29.601 30.300 0.194 0.000 0.866 877 R HN 0.513 nan 8.270 nan 0.000 0.447 878 Y N 1.700 122.064 120.300 0.107 0.000 2.070 878 Y HA -0.203 4.347 4.550 0.001 0.000 0.279 878 Y C 2.268 178.251 175.900 0.137 0.000 1.134 878 Y CA 2.125 60.293 58.100 0.113 0.000 1.113 878 Y CB -0.591 37.926 38.460 0.095 0.000 0.981 878 Y HN 0.186 nan 8.280 nan 0.000 0.487 879 Q N -0.006 119.799 119.800 0.008 0.000 2.173 879 Q HA -0.232 4.108 4.340 0.001 0.000 0.208 879 Q C 2.348 178.388 176.000 0.066 0.000 0.989 879 Q CA 2.287 58.067 55.803 -0.038 0.000 0.872 879 Q CB -0.310 28.496 28.738 0.113 0.000 0.909 879 Q HN 0.596 nan 8.270 nan 0.000 0.420 880 I N 0.474 121.104 120.570 0.099 0.000 2.439 880 I HA -0.191 3.979 4.170 0.001 0.000 0.251 880 I C 1.499 177.782 176.117 0.277 0.000 1.139 880 I CA 0.511 61.948 61.300 0.228 0.000 1.438 880 I CB -0.142 37.894 38.000 0.060 0.000 1.085 880 I HN 0.197 nan 8.210 nan 0.000 0.427 881 N N 0.610 119.371 118.700 0.101 0.000 2.396 881 N HA -0.133 4.608 4.740 0.001 0.000 0.180 881 N C 1.760 177.274 175.510 0.007 0.000 1.028 881 N CA 0.847 53.921 53.050 0.039 0.000 0.893 881 N CB -0.051 38.465 38.487 0.048 0.000 0.967 881 N HN 0.414 nan 8.380 nan 0.000 0.440 882 Q N 0.225 119.977 119.800 -0.080 0.000 2.046 882 Q HA -0.084 4.257 4.340 0.001 0.000 0.200 882 Q C 1.763 177.809 176.000 0.076 0.000 0.975 882 Q CA 1.060 56.821 55.803 -0.070 0.000 0.836 882 Q CB -0.003 28.610 28.738 -0.209 0.000 0.896 882 Q HN 0.554 nan 8.270 nan 0.000 0.428 883 Q N 0.311 120.199 119.800 0.147 0.000 2.083 883 Q HA -0.066 4.275 4.340 0.001 0.000 0.198 883 Q C 2.243 178.331 176.000 0.145 0.000 0.969 883 Q CA 0.687 56.576 55.803 0.142 0.000 0.838 883 Q CB -0.165 28.643 28.738 0.115 0.000 0.900 883 Q HN 0.358 nan 8.270 nan 0.000 0.436 884 L N 0.953 122.294 121.223 0.196 0.000 2.046 884 L HA -0.177 4.164 4.340 0.001 0.000 0.208 884 L C 2.338 179.227 176.870 0.032 0.000 1.077 884 L CA 0.975 55.879 54.840 0.106 0.000 0.747 884 L CB -0.282 41.717 42.059 -0.099 0.000 0.896 884 L HN 0.323 nan 8.230 nan 0.000 0.432 885 L N -0.177 121.071 121.223 0.042 0.000 1.937 885 L HA -0.323 4.017 4.340 0.001 0.000 0.213 885 L C 2.200 179.098 176.870 0.046 0.000 1.077 885 L CA 2.111 56.973 54.840 0.036 0.000 0.758 885 L CB -0.539 41.589 42.059 0.115 0.000 0.888 885 L HN 0.333 nan 8.230 nan 0.000 0.433 886 N N 0.108 118.894 118.700 0.143 0.000 2.111 886 N HA -0.263 4.478 4.740 0.001 0.000 0.197 886 N C 1.642 177.195 175.510 0.072 0.000 1.011 886 N CA 1.975 55.126 53.050 0.168 0.000 0.880 886 N CB -0.410 38.198 38.487 0.203 0.000 1.031 886 N HN 0.521 nan 8.380 nan 0.000 0.444 887 A N 0.077 122.934 122.820 0.062 0.000 1.972 887 A HA -0.044 4.277 4.320 0.001 0.000 0.219 887 A C 2.101 179.691 177.584 0.011 0.000 1.169 887 A CA 0.995 53.059 52.037 0.045 0.000 0.635 887 A CB -0.505 18.541 19.000 0.076 0.000 0.810 887 A HN 0.271 nan 8.150 nan 0.000 0.446 888 L N -0.893 120.319 121.223 -0.017 0.000 2.341 888 L HA -0.035 4.306 4.340 0.001 0.000 0.214 888 L C 2.202 179.006 176.870 -0.109 0.000 1.115 888 L CA 0.338 55.143 54.840 -0.058 0.000 0.820 888 L CB -0.211 41.801 42.059 -0.078 0.000 0.944 888 L HN 0.211 nan 8.230 nan 0.000 0.452 889 V N -0.824 119.000 119.914 -0.149 0.000 2.591 889 V HA -0.099 4.021 4.120 0.001 0.000 0.249 889 V C 1.923 177.919 176.094 -0.164 0.000 1.053 889 V CA 1.138 63.281 62.300 -0.263 0.000 1.068 889 V CB -0.226 31.288 31.823 -0.515 0.000 0.689 889 V HN 0.334 nan 8.190 nan 0.000 0.462 890 E N -0.074 120.082 120.200 -0.073 0.000 2.445 890 E HA 0.032 4.383 4.350 0.001 0.000 0.189 890 E C 0.710 177.293 176.600 -0.029 0.000 1.069 890 E CA -0.105 56.279 56.400 -0.027 0.000 0.871 890 E CB -0.175 29.535 29.700 0.018 0.000 0.991 890 E HN 0.643 nan 8.360 nan 0.000 0.481 891 Q N 0.758 120.528 119.800 -0.049 0.000 2.407 891 Q HA -0.224 4.116 4.340 0.001 0.000 0.277 891 Q C 0.203 176.193 176.000 -0.017 0.000 1.161 891 Q CA 0.814 56.594 55.803 -0.039 0.000 0.924 891 Q CB -0.857 27.855 28.738 -0.043 0.000 1.318 891 Q HN 0.254 nan 8.270 nan 0.000 0.513 892 D N 0.476 120.874 120.400 -0.004 0.000 2.398 892 D HA 0.075 4.716 4.640 0.001 0.000 0.264 892 D C -0.190 176.121 176.300 0.019 0.000 1.263 892 D CA -0.273 53.732 54.000 0.009 0.000 1.037 892 D CB 0.659 41.470 40.800 0.017 0.000 1.101 892 D HN 0.033 nan 8.370 nan 0.000 0.551 893 D N -0.774 119.642 120.400 0.026 0.000 2.347 893 D HA 0.336 4.977 4.640 0.001 0.000 0.235 893 D C 0.278 176.623 176.300 0.074 0.000 1.149 893 D CA -0.372 53.651 54.000 0.038 0.000 0.850 893 D CB 1.098 41.913 40.800 0.025 0.000 1.061 893 D HN 0.288 nan 8.370 nan 0.000 0.487 894 A N 3.867 126.756 122.820 0.116 0.000 2.121 894 A HA -0.136 4.185 4.320 0.001 0.000 0.218 894 A C 1.868 179.605 177.584 0.255 0.000 1.154 894 A CA 1.014 53.197 52.037 0.244 0.000 0.679 894 A CB -0.283 18.889 19.000 0.287 0.000 0.795 894 A HN 0.573 nan 8.150 nan 0.000 0.458 895 E N 0.234 120.512 120.200 0.129 0.000 2.077 895 E HA -0.164 4.187 4.350 0.001 0.000 0.193 895 E C 2.073 178.713 176.600 0.065 0.000 0.989 895 E CA 1.249 57.689 56.400 0.067 0.000 0.800 895 E CB -0.161 29.550 29.700 0.018 0.000 0.746 895 E HN 0.448 nan 8.360 nan 0.000 0.452 896 R N 0.170 120.694 120.500 0.041 0.000 2.103 896 R HA -0.092 4.249 4.340 0.001 0.000 0.234 896 R C 2.454 178.726 176.300 -0.048 0.000 1.132 896 R CA 1.495 57.596 56.100 0.003 0.000 0.925 896 R CB -1.120 29.178 30.300 -0.003 0.000 0.842 896 R HN 0.258 nan 8.270 nan 0.000 0.430 897 L N -0.345 120.848 121.223 -0.050 0.000 1.976 897 L HA -0.302 4.039 4.340 0.001 0.000 0.223 897 L C 2.133 178.795 176.870 -0.348 0.000 1.081 897 L CA 1.955 56.684 54.840 -0.186 0.000 0.784 897 L CB -0.521 41.544 42.059 0.011 0.000 0.896 897 L HN 0.215 nan 8.230 nan 0.000 0.438 898 F N 0.689 120.270 119.950 -0.615 0.000 2.041 898 F HA -0.400 4.127 4.527 0.001 0.000 0.296 898 F C 2.724 178.251 175.800 -0.456 0.000 1.147 898 F CA 2.292 59.676 58.000 -1.025 0.000 1.214 898 F CB -0.572 37.804 39.000 -1.041 0.000 0.947 898 F HN -0.010 nan 8.300 nan 0.000 0.511 899 R N -0.053 120.313 120.500 -0.223 0.000 2.134 899 R HA -0.259 4.082 4.340 0.001 0.000 0.248 899 R C 2.359 178.525 176.300 -0.225 0.000 1.143 899 R CA 2.302 58.275 56.100 -0.210 0.000 0.957 899 R CB -0.599 29.694 30.300 -0.013 0.000 0.867 899 R HN 0.422 nan 8.270 nan 0.000 0.441 900 R N -0.291 120.103 120.500 -0.176 0.000 2.080 900 R HA -0.127 4.214 4.340 0.001 0.000 0.236 900 R C 2.308 178.585 176.300 -0.039 0.000 1.137 900 R CA 1.756 57.786 56.100 -0.117 0.000 0.943 900 R CB -0.472 29.730 30.300 -0.163 0.000 0.846 900 R HN 0.263 nan 8.270 nan 0.000 0.431 901 F N 0.616 120.436 119.950 -0.216 0.000 2.126 901 F HA -0.267 4.261 4.527 0.001 0.000 0.299 901 F C 2.960 178.634 175.800 -0.210 0.000 1.096 901 F CA 0.753 58.648 58.000 -0.175 0.000 1.255 901 F CB -0.069 38.809 39.000 -0.203 0.000 0.997 901 F HN 0.090 nan 8.300 nan 0.000 0.479 902 R N 1.039 121.412 120.500 -0.212 0.000 2.073 902 R HA -0.108 4.233 4.340 0.001 0.000 0.229 902 R C 2.201 178.447 176.300 -0.091 0.000 1.120 902 R CA 1.230 57.169 56.100 -0.268 0.000 0.967 902 R CB -0.504 29.443 30.300 -0.587 0.000 0.862 902 R HN 0.215 nan 8.270 nan 0.000 0.436 903 A N 0.553 123.341 122.820 -0.054 0.000 2.125 903 A HA -0.027 4.294 4.320 0.001 0.000 0.219 903 A C 2.107 179.789 177.584 0.163 0.000 1.156 903 A CA 1.488 53.557 52.037 0.053 0.000 0.671 903 A CB -0.368 18.646 19.000 0.024 0.000 0.794 903 A HN 0.526 nan 8.150 nan 0.000 0.459 904 A N -2.121 120.787 122.820 0.147 0.000 2.132 904 A HA 0.416 4.737 4.320 0.001 0.000 0.213 904 A C 1.870 179.608 177.584 0.258 0.000 1.154 904 A CA 1.257 53.406 52.037 0.186 0.000 0.753 904 A CB -0.557 18.556 19.000 0.189 0.000 0.826 904 A HN 1.793 nan 8.150 nan 0.000 0.469 905 G N -0.497 108.401 108.800 0.163 0.000 2.157 905 G HA2 -0.235 3.725 3.960 0.001 0.000 0.239 905 G HA3 -0.235 3.725 3.960 0.001 0.000 0.239 905 G C 0.278 175.269 174.900 0.151 0.000 0.982 905 G CA 0.597 45.728 45.100 0.051 0.000 0.650 905 G HN 0.397 nan 8.290 nan 0.000 0.527 906 D N 0.134 120.575 120.400 0.069 0.000 2.348 906 D HA 0.167 4.808 4.640 0.001 0.000 0.216 906 D C 1.447 177.698 176.300 -0.081 0.000 0.970 906 D CA 0.663 54.651 54.000 -0.021 0.000 0.889 906 D CB 0.184 40.923 40.800 -0.101 0.000 0.912 906 D HN 0.558 nan 8.370 nan 0.000 0.524 907 L N 0.242 121.443 121.223 -0.036 0.000 2.334 907 L HA 0.431 4.771 4.340 0.001 0.000 0.272 907 L C -2.111 174.756 176.870 -0.004 0.000 1.020 907 L CA -2.269 52.562 54.840 -0.015 0.000 0.812 907 L CB 1.500 43.590 42.059 0.052 0.000 1.264 907 L HN -0.343 nan 8.230 nan 0.000 0.439 908 P HA -0.062 nan 4.420 nan 0.000 0.271 908 P C -1.064 176.328 177.300 0.154 0.000 1.244 908 P CA -0.149 62.976 63.100 0.042 0.000 0.793 908 P CB 0.268 32.032 31.700 0.107 0.000 0.984 909 Y N 0.877 121.218 120.300 0.069 0.000 2.497 909 Y HA 0.254 4.804 4.550 0.001 0.000 0.334 909 Y C 1.643 177.665 175.900 0.204 0.000 1.199 909 Y CA 1.196 59.357 58.100 0.103 0.000 1.425 909 Y CB -0.408 38.096 38.460 0.073 0.000 1.291 909 Y HN 0.731 nan 8.280 nan 0.000 0.562 910 G N 4.089 112.411 108.800 -0.797 0.000 2.896 910 G HA2 -0.464 3.497 3.960 0.001 0.000 0.656 910 G HA3 -0.464 3.497 3.960 0.001 0.000 0.656 910 G C 1.455 176.248 174.900 -0.178 0.000 1.036 910 G CA 1.981 46.738 45.100 -0.572 0.000 0.822 910 G HN 1.548 nan 8.290 nan 0.000 0.897 911 A N -1.052 121.638 122.820 -0.217 0.000 1.954 911 A HA -0.112 4.208 4.320 0.001 0.000 0.222 911 A C 2.319 179.772 177.584 -0.218 0.000 1.199 911 A CA 2.850 54.744 52.037 -0.239 0.000 0.657 911 A CB -0.648 18.118 19.000 -0.390 0.000 0.823 911 A HN 0.709 nan 8.150 nan 0.000 0.463 912 F N -0.377 119.626 119.950 0.089 0.000 2.259 912 F HA 0.076 4.603 4.527 0.001 0.000 0.298 912 F C 2.616 178.538 175.800 0.202 0.000 1.088 912 F CA 0.834 58.922 58.000 0.147 0.000 1.358 912 F CB -0.624 38.477 39.000 0.170 0.000 1.040 912 F HN 0.300 nan 8.300 nan 0.000 0.505 913 G N -0.209 108.792 108.800 0.335 0.000 2.394 913 G HA2 -0.177 3.784 3.960 0.001 0.000 0.214 913 G HA3 -0.177 3.784 3.960 0.001 0.000 0.214 913 G C 1.458 176.638 174.900 0.467 0.000 1.176 913 G CA 0.524 45.850 45.100 0.378 0.000 0.786 913 G HN 0.306 nan 8.290 nan 0.000 0.533 914 E N -0.048 120.350 120.200 0.329 0.000 2.171 914 E HA -0.121 4.230 4.350 0.001 0.000 0.197 914 E C 2.401 179.130 176.600 0.215 0.000 0.997 914 E CA 0.693 57.245 56.400 0.254 0.000 0.810 914 E CB -0.136 29.604 29.700 0.067 0.000 0.738 914 E HN 0.506 nan 8.360 nan 0.000 0.467 915 I N 0.144 120.834 120.570 0.199 0.000 2.233 915 I HA -0.214 3.957 4.170 0.001 0.000 0.243 915 I C 2.177 178.432 176.117 0.230 0.000 1.093 915 I CA 0.563 61.961 61.300 0.163 0.000 1.380 915 I CB -0.222 37.861 38.000 0.137 0.000 1.067 915 I HN 0.088 nan 8.210 nan 0.000 0.413 916 F N 1.477 121.560 119.950 0.221 0.000 2.027 916 F HA -0.334 4.194 4.527 0.001 0.000 0.297 916 F C 2.369 178.312 175.800 0.239 0.000 1.129 916 F CA 1.730 59.860 58.000 0.217 0.000 1.195 916 F CB -0.942 38.203 39.000 0.242 0.000 0.960 916 F HN 0.220 nan 8.300 nan 0.000 0.485 917 W N 1.614 122.796 121.300 -0.196 0.000 2.298 917 W HA -0.310 4.351 4.660 0.001 0.000 0.328 917 W C 2.372 178.762 176.519 -0.214 0.000 1.259 917 W CA 2.463 59.666 57.345 -0.236 0.000 1.251 917 W CB -0.914 28.692 29.460 0.243 0.000 1.161 917 W HN 0.241 nan 8.180 nan 0.000 0.466 918 E N -1.001 119.213 120.200 0.023 0.000 2.136 918 E HA -0.337 4.014 4.350 0.001 0.000 0.202 918 E C 2.107 178.598 176.600 -0.181 0.000 1.019 918 E CA 2.786 59.136 56.400 -0.083 0.000 0.819 918 E CB -0.453 29.241 29.700 -0.009 0.000 0.739 918 E HN 0.296 nan 8.360 nan 0.000 0.458 919 T N -1.060 113.391 114.554 -0.172 0.000 3.023 919 T HA -0.083 4.268 4.350 0.001 0.000 0.266 919 T C 1.710 176.263 174.700 -0.245 0.000 1.093 919 T CA 0.582 62.589 62.100 -0.154 0.000 1.129 919 T CB 0.133 68.967 68.868 -0.058 0.000 0.899 919 T HN -0.025 nan 8.240 nan 0.000 0.491 920 Q N 0.306 119.840 119.800 -0.443 0.000 2.137 920 Q HA 0.066 4.406 4.340 0.001 0.000 0.198 920 Q C 2.728 178.459 176.000 -0.447 0.000 0.960 920 Q CA 1.092 56.612 55.803 -0.472 0.000 0.847 920 Q CB -1.106 27.189 28.738 -0.737 0.000 0.915 920 Q HN 0.616 nan 8.270 nan 0.000 0.448 921 C N 0.981 119.940 119.300 -0.568 0.000 2.403 921 C HA -0.179 4.282 4.460 0.001 0.000 0.277 921 C C 2.772 177.611 174.990 -0.252 0.000 1.248 921 C CA 1.169 59.922 59.018 -0.443 0.000 1.762 921 C CB -0.876 26.622 27.740 -0.403 0.000 2.014 921 C HN 0.584 nan 8.230 nan 0.000 0.486 922 Q N 0.461 120.134 119.800 -0.212 0.000 2.119 922 Q HA -0.205 4.136 4.340 0.001 0.000 0.201 922 Q C 2.224 178.153 176.000 -0.118 0.000 0.972 922 Q CA 1.588 57.308 55.803 -0.139 0.000 0.847 922 Q CB -0.163 28.509 28.738 -0.111 0.000 0.903 922 Q HN 0.753 nan 8.270 nan 0.000 0.433 923 E N -0.820 119.304 120.200 -0.126 0.000 2.122 923 E HA -0.118 4.233 4.350 0.001 0.000 0.190 923 E C 1.787 178.336 176.600 -0.086 0.000 0.977 923 E CA 0.517 56.865 56.400 -0.086 0.000 0.820 923 E CB 0.197 29.858 29.700 -0.064 0.000 0.770 923 E HN 0.356 nan 8.360 nan 0.000 0.462 924 M N 0.529 120.056 119.600 -0.121 0.000 2.200 924 M HA -0.095 4.386 4.480 0.001 0.000 0.265 924 M C 2.157 178.393 176.300 -0.107 0.000 1.066 924 M CA 1.241 56.479 55.300 -0.103 0.000 1.127 924 M CB -0.882 31.636 32.600 -0.136 0.000 1.379 924 M HN 0.066 nan 8.290 nan 0.000 0.420 925 Q N 0.753 120.480 119.800 -0.122 0.000 1.993 925 Q HA -0.196 4.145 4.340 0.001 0.000 0.202 925 Q C 2.040 177.972 176.000 -0.112 0.000 0.984 925 Q CA 2.049 57.783 55.803 -0.115 0.000 0.837 925 Q CB -0.466 28.207 28.738 -0.108 0.000 0.902 925 Q HN 0.547 nan 8.270 nan 0.000 0.423 926 Q N -0.443 119.297 119.800 -0.100 0.000 2.156 926 Q HA -0.235 4.106 4.340 0.001 0.000 0.211 926 Q C 2.056 177.988 176.000 -0.113 0.000 0.995 926 Q CA 1.789 57.535 55.803 -0.096 0.000 0.877 926 Q CB -0.307 28.386 28.738 -0.075 0.000 0.920 926 Q HN 0.548 nan 8.270 nan 0.000 0.416 927 L N -0.358 120.808 121.223 -0.096 0.000 1.988 927 L HA -0.145 4.196 4.340 0.001 0.000 0.207 927 L C 2.397 179.173 176.870 -0.157 0.000 1.071 927 L CA 1.366 56.152 54.840 -0.091 0.000 0.744 927 L CB -0.576 41.471 42.059 -0.020 0.000 0.893 927 L HN 0.319 nan 8.230 nan 0.000 0.433 928 A N -0.027 122.693 122.820 -0.166 0.000 1.903 928 A HA -0.323 3.998 4.320 0.001 0.000 0.219 928 A C 1.759 179.194 177.584 -0.249 0.000 1.191 928 A CA 2.340 54.232 52.037 -0.241 0.000 0.638 928 A CB -0.948 17.928 19.000 -0.205 0.000 0.823 928 A HN 0.562 nan 8.150 nan 0.000 0.451 929 D N -0.675 119.607 120.400 -0.198 0.000 2.158 929 D HA -0.156 4.485 4.640 0.001 0.000 0.197 929 D C 2.103 178.260 176.300 -0.238 0.000 0.995 929 D CA 1.211 55.100 54.000 -0.186 0.000 0.846 929 D CB -0.324 40.388 40.800 -0.147 0.000 0.941 929 D HN 0.466 nan 8.370 nan 0.000 0.456 930 R N 0.073 120.383 120.500 -0.316 0.000 2.148 930 R HA -0.038 4.303 4.340 0.001 0.000 0.227 930 R C 2.090 178.032 176.300 -0.596 0.000 1.103 930 R CA 0.458 56.248 56.100 -0.516 0.000 0.983 930 R CB -0.099 29.780 30.300 -0.701 0.000 0.874 930 R HN 0.175 nan 8.270 nan 0.000 0.451 931 V N 1.162 120.840 119.914 -0.393 0.000 2.300 931 V HA -0.162 3.959 4.120 0.001 0.000 0.241 931 V C 2.302 178.286 176.094 -0.183 0.000 1.034 931 V CA 1.316 63.484 62.300 -0.221 0.000 1.021 931 V CB -0.348 31.215 31.823 -0.432 0.000 0.662 931 V HN 0.185 nan 8.190 nan 0.000 0.458 932 I N 1.081 121.513 120.570 -0.230 0.000 2.145 932 I HA -0.345 3.826 4.170 0.001 0.000 0.244 932 I C 2.581 178.636 176.117 -0.103 0.000 1.075 932 I CA 1.782 62.986 61.300 -0.160 0.000 1.332 932 I CB -0.637 37.272 38.000 -0.151 0.000 1.033 932 I HN 0.343 nan 8.210 nan 0.000 0.410 933 A N -0.045 122.704 122.820 -0.120 0.000 2.204 933 A HA -0.243 4.077 4.320 0.001 0.000 0.220 933 A C 1.588 179.150 177.584 -0.036 0.000 1.165 933 A CA 1.648 53.634 52.037 -0.086 0.000 0.671 933 A CB -0.896 18.032 19.000 -0.120 0.000 0.792 933 A HN 0.803 nan 8.150 nan 0.000 0.473 934 C N -2.963 116.333 119.300 -0.007 0.000 3.367 934 C HA 0.556 5.017 4.460 0.001 0.000 0.314 934 C C -0.168 174.866 174.990 0.072 0.000 2.460 934 C CA -0.715 58.331 59.018 0.048 0.000 1.352 934 C CB -1.486 26.312 27.740 0.096 0.000 2.457 934 C HN 0.420 nan 8.230 nan 0.000 0.531 935 R N 1.905 122.425 120.500 0.033 0.000 2.215 935 R HA 0.394 4.735 4.340 0.001 0.000 0.337 935 R C -0.269 176.054 176.300 0.039 0.000 1.010 935 R CA 0.021 56.148 56.100 0.045 0.000 0.871 935 R CB 0.680 30.971 30.300 -0.015 0.000 1.134 935 R HN 0.773 nan 8.270 nan 0.000 0.477 936 Q N 6.095 125.930 119.800 0.058 0.000 2.569 936 Q HA 0.271 4.611 4.340 0.001 0.000 0.226 936 Q C -2.173 173.858 176.000 0.052 0.000 1.136 936 Q CA -2.055 53.776 55.803 0.047 0.000 0.947 936 Q CB 0.892 29.659 28.738 0.049 0.000 1.218 936 Q HN 0.358 nan 8.270 nan 0.000 0.547 937 P HA -0.146 nan 4.420 nan 0.000 0.243 937 P C -0.397 176.929 177.300 0.044 0.000 1.107 937 P CA 0.710 63.841 63.100 0.051 0.000 0.848 937 P CB 0.210 31.932 31.700 0.037 0.000 0.771 938 G N 2.536 111.366 108.800 0.049 0.000 3.107 938 G HA2 0.569 4.530 3.960 0.001 0.000 0.232 938 G HA3 0.569 4.530 3.960 0.001 0.000 0.232 938 G C -0.961 173.952 174.900 0.022 0.000 1.339 938 G CA -0.221 44.900 45.100 0.034 0.000 1.033 938 G HN 0.280 nan 8.290 nan 0.000 0.567 939 Q N -1.203 118.598 119.800 0.001 0.000 2.882 939 Q HA 0.480 4.821 4.340 0.001 0.000 0.315 939 Q C -0.155 175.806 176.000 -0.066 0.000 1.004 939 Q CA -0.699 55.088 55.803 -0.026 0.000 0.777 939 Q CB 1.492 30.209 28.738 -0.034 0.000 1.506 939 Q HN 0.524 nan 8.270 nan 0.000 0.489 940 S N 0.700 116.326 115.700 -0.124 0.000 2.560 940 S HA 0.236 4.707 4.470 0.001 0.000 0.276 940 S C 0.177 174.610 174.600 -0.278 0.000 1.350 940 S CA 0.280 58.334 58.200 -0.242 0.000 1.024 940 S CB 0.182 63.137 63.200 -0.409 0.000 0.864 940 S HN 0.493 nan 8.310 nan 0.000 0.536 941 M N 1.476 120.872 119.600 -0.339 0.000 2.484 941 M HA 0.376 4.856 4.480 0.001 0.000 0.289 941 M C -1.339 174.744 176.300 -0.362 0.000 1.206 941 M CA -0.443 54.695 55.300 -0.269 0.000 0.892 941 M CB 2.089 34.647 32.600 -0.070 0.000 1.712 941 M HN 0.773 nan 8.290 nan 0.000 0.462 942 E N 4.127 124.166 120.200 -0.268 0.000 2.191 942 E HA 0.495 4.845 4.350 0.001 0.000 0.274 942 E C -1.412 175.219 176.600 0.052 0.000 0.948 942 E CA -0.791 55.557 56.400 -0.087 0.000 0.802 942 E CB 1.289 30.971 29.700 -0.029 0.000 1.137 942 E HN 0.610 nan 8.360 nan 0.000 0.397 943 I N 2.637 123.295 120.570 0.147 0.000 2.354 943 I HA 0.416 4.587 4.170 0.001 0.000 0.292 943 I C -0.434 175.728 176.117 0.076 0.000 0.989 943 I CA -0.528 60.823 61.300 0.086 0.000 1.188 943 I CB 1.108 39.158 38.000 0.082 0.000 1.342 943 I HN 0.567 nan 8.210 nan 0.000 0.457 944 D N 6.487 126.907 120.400 0.033 0.000 3.118 944 D HA 0.223 4.864 4.640 0.001 0.000 0.259 944 D C -1.093 175.204 176.300 -0.005 0.000 1.292 944 D CA -0.159 53.853 54.000 0.021 0.000 0.784 944 D CB 0.797 41.615 40.800 0.030 0.000 1.413 944 D HN 0.200 nan 8.370 nan 0.000 0.583 945 L N 0.952 122.165 121.223 -0.015 0.000 2.416 945 L HA 0.768 5.109 4.340 0.001 0.000 0.262 945 L C 0.607 177.460 176.870 -0.028 0.000 1.093 945 L CA -0.700 54.122 54.840 -0.030 0.000 0.801 945 L CB 1.329 43.362 42.059 -0.043 0.000 1.191 945 L HN 0.356 nan 8.230 nan 0.000 0.459 946 A N 1.382 124.184 122.820 -0.030 0.000 2.323 946 A HA 0.487 4.807 4.320 0.001 0.000 0.305 946 A C -0.740 176.827 177.584 -0.028 0.000 1.275 946 A CA -0.371 51.650 52.037 -0.026 0.000 0.804 946 A CB 0.709 19.696 19.000 -0.022 0.000 1.152 946 A HN 0.666 nan 8.150 nan 0.000 0.487 947 C N 4.005 123.288 119.300 -0.027 0.000 2.396 947 C HA 0.507 4.968 4.460 0.001 0.000 0.321 947 C C 1.120 176.101 174.990 -0.015 0.000 1.233 947 C CA 0.034 59.038 59.018 -0.025 0.000 1.440 947 C CB -0.246 27.474 27.740 -0.033 0.000 2.110 947 C HN 1.217 nan 8.230 nan 0.000 0.473 948 N N 3.357 122.052 118.700 -0.008 0.000 2.675 948 N HA -0.210 4.531 4.740 0.001 0.000 0.252 948 N C 0.636 176.145 175.510 -0.001 0.000 1.008 948 N CA 0.976 54.027 53.050 0.000 0.000 0.779 948 N CB -1.244 37.248 38.487 0.009 0.000 0.954 948 N HN 2.040 nan 8.380 nan 0.000 0.541 949 G N -1.817 106.979 108.800 -0.008 0.000 2.325 949 G HA2 -0.027 3.934 3.960 0.001 0.000 0.248 949 G HA3 -0.027 3.934 3.960 0.001 0.000 0.248 949 G C -0.357 174.534 174.900 -0.016 0.000 1.108 949 G CA -0.134 44.959 45.100 -0.011 0.000 0.881 949 G HN 0.832 nan 8.290 nan 0.000 0.494 950 V N -0.566 119.336 119.914 -0.020 0.000 3.077 950 V HA 0.664 4.784 4.120 0.001 0.000 0.299 950 V C -0.405 175.670 176.094 -0.033 0.000 1.276 950 V CA -1.236 61.047 62.300 -0.029 0.000 0.993 950 V CB 1.959 33.764 31.823 -0.030 0.000 1.076 950 V HN 0.368 nan 8.190 nan 0.000 0.434 951 Q N 3.030 122.808 119.800 -0.038 0.000 2.576 951 Q HA 0.760 5.101 4.340 0.001 0.000 0.249 951 Q C -0.868 175.107 176.000 -0.042 0.000 1.041 951 Q CA -0.641 55.142 55.803 -0.034 0.000 0.928 951 Q CB 2.752 31.474 28.738 -0.028 0.000 1.302 951 Q HN 0.778 nan 8.270 nan 0.000 0.504 952 I N -2.548 118.004 120.570 -0.030 0.000 2.793 952 I HA 0.473 4.644 4.170 0.001 0.000 0.295 952 I C -1.048 175.069 176.117 0.000 0.000 1.610 952 I CA -0.722 60.561 61.300 -0.028 0.000 0.986 952 I CB 1.185 39.167 38.000 -0.030 0.000 1.402 952 I HN 0.636 nan 8.210 nan 0.000 0.500 953 T N -0.085 114.474 114.554 0.008 0.000 2.900 953 T HA 0.970 5.321 4.350 0.001 0.000 0.303 953 T C -0.305 174.436 174.700 0.068 0.000 1.142 953 T CA -0.159 61.968 62.100 0.044 0.000 1.007 953 T CB 2.330 71.204 68.868 0.009 0.000 1.156 953 T HN 2.075 nan 8.240 nan 0.000 0.490 954 G N -0.070 108.833 108.800 0.172 0.000 2.368 954 G HA2 0.450 4.410 3.960 0.001 0.000 0.293 954 G HA3 0.450 4.410 3.960 0.001 0.000 0.293 954 G C -2.195 173.053 174.900 0.581 0.000 1.467 954 G CA -0.979 44.258 45.100 0.227 0.000 0.804 954 G HN 0.787 nan 8.290 nan 0.000 0.535 955 W N 2.064 123.367 121.300 0.006 0.000 2.406 955 W HA 0.401 5.061 4.660 0.001 0.000 0.308 955 W C -0.018 176.505 176.519 0.008 0.000 0.965 955 W CA -0.725 56.625 57.345 0.008 0.000 1.589 955 W CB 0.946 30.410 29.460 0.007 0.000 1.417 955 W HN 0.191 nan 8.180 nan 0.000 0.415 956 L N 5.821 127.124 121.223 0.133 0.000 2.456 956 L HA 0.116 4.457 4.340 0.001 0.000 0.277 956 L C -1.787 175.079 176.870 -0.006 0.000 1.124 956 L CA -1.463 53.410 54.840 0.055 0.000 0.880 956 L CB -0.175 41.913 42.059 0.048 0.000 1.192 956 L HN -0.018 nan 8.230 nan 0.000 0.463 957 P HA -0.026 nan 4.420 nan 0.000 0.280 957 P C -0.573 176.705 177.300 -0.036 0.000 1.278 957 P CA -0.525 62.565 63.100 -0.017 0.000 0.787 957 P CB 0.239 31.934 31.700 -0.007 0.000 1.163 958 Q N -1.226 118.563 119.800 -0.018 0.000 2.290 958 Q HA -0.139 4.201 4.340 0.001 0.000 0.356 958 Q C -0.703 175.294 176.000 -0.005 0.000 1.183 958 Q CA 0.228 56.036 55.803 0.008 0.000 1.184 958 Q CB -1.529 27.244 28.738 0.059 0.000 1.368 958 Q HN 0.149 nan 8.270 nan 0.000 0.295 959 V N 2.485 122.391 119.914 -0.014 0.000 2.385 959 V HA 0.094 4.214 4.120 0.001 0.000 0.269 959 V C 0.527 176.634 176.094 0.022 0.000 1.043 959 V CA -0.270 62.023 62.300 -0.011 0.000 0.906 959 V CB 1.286 33.129 31.823 0.033 0.000 0.995 959 V HN 0.469 nan 8.190 nan 0.000 0.467 960 Q N 6.675 126.487 119.800 0.019 0.000 2.221 960 Q HA 0.312 4.652 4.340 0.001 0.000 0.242 960 Q C -1.466 174.579 176.000 0.074 0.000 0.940 960 Q CA -1.844 53.987 55.803 0.047 0.000 0.896 960 Q CB 1.247 30.016 28.738 0.051 0.000 1.226 960 Q HN 0.426 nan 8.270 nan 0.000 0.463 961 P HA -0.144 nan 4.420 nan 0.000 0.228 961 P C -0.437 176.928 177.300 0.109 0.000 1.151 961 P CA 1.172 64.326 63.100 0.090 0.000 0.770 961 P CB 0.352 32.090 31.700 0.063 0.000 0.786 962 D N -0.789 119.665 120.400 0.090 0.000 2.194 962 D HA 0.125 4.766 4.640 0.001 0.000 0.204 962 D C 1.703 178.068 176.300 0.109 0.000 0.964 962 D CA 1.686 55.741 54.000 0.092 0.000 0.846 962 D CB -0.169 40.672 40.800 0.069 0.000 0.962 962 D HN 0.254 nan 8.370 nan 0.000 0.490 963 G N -0.747 108.088 108.800 0.058 0.000 1.930 963 G HA2 0.000 3.961 3.960 0.001 0.000 0.054 963 G HA3 0.000 3.961 3.960 0.001 0.000 0.054 963 G C -1.449 173.242 174.900 -0.349 0.000 0.902 963 G CA -0.628 44.397 45.100 -0.124 0.000 1.168 963 G HN 0.097 nan 8.290 nan 0.000 0.383 964 L N 0.844 121.854 121.223 -0.355 0.000 2.362 964 L HA 0.817 5.157 4.340 0.001 0.000 0.275 964 L C -1.164 175.617 176.870 -0.148 0.000 0.998 964 L CA -0.886 53.789 54.840 -0.275 0.000 0.820 964 L CB 2.037 43.894 42.059 -0.337 0.000 1.270 964 L HN 0.493 nan 8.230 nan 0.000 0.415 965 L N 3.854 125.040 121.223 -0.061 0.000 2.415 965 L HA 0.591 4.932 4.340 0.001 0.000 0.268 965 L C -0.713 176.188 176.870 0.052 0.000 0.984 965 L CA -0.154 54.711 54.840 0.042 0.000 0.853 965 L CB 1.330 43.514 42.059 0.208 0.000 1.215 965 L HN 0.522 nan 8.230 nan 0.000 0.419 966 R N 3.407 123.880 120.500 -0.046 0.000 2.803 966 R HA 0.851 5.192 4.340 0.001 0.000 0.276 966 R C -1.823 174.507 176.300 0.049 0.000 0.978 966 R CA -0.282 55.695 56.100 -0.205 0.000 0.939 966 R CB 1.772 31.935 30.300 -0.229 0.000 1.179 966 R HN 0.688 nan 8.270 nan 0.000 0.472 967 W N 0.525 121.865 121.300 0.067 0.000 3.372 967 W HA 0.679 5.340 4.660 0.001 0.000 0.315 967 W C -1.446 175.143 176.519 0.115 0.000 1.223 967 W CA -0.864 56.557 57.345 0.126 0.000 1.202 967 W CB 1.176 30.743 29.460 0.178 0.000 1.367 967 W HN 0.276 nan 8.180 nan 0.000 0.531 968 R N 1.978 122.663 120.500 0.308 0.000 2.707 968 R HA 0.337 4.678 4.340 0.001 0.000 0.272 968 R C -2.593 173.882 176.300 0.292 0.000 1.011 968 R CA -1.916 54.338 56.100 0.256 0.000 0.893 968 R CB 2.851 33.266 30.300 0.191 0.000 1.233 968 R HN 0.176 nan 8.270 nan 0.000 0.464 969 P HA 0.048 nan 4.420 nan 0.000 0.226 969 P C -0.815 176.688 177.300 0.339 0.000 1.758 969 P CA 0.188 63.445 63.100 0.262 0.000 0.896 969 P CB 0.174 31.973 31.700 0.164 0.000 1.784 970 S N -1.145 114.724 115.700 0.281 0.000 2.697 970 S HA 0.570 5.040 4.470 0.001 0.000 0.289 970 S C -0.436 174.249 174.600 0.142 0.000 1.149 970 S CA -0.902 57.417 58.200 0.198 0.000 0.850 970 S CB 0.754 64.029 63.200 0.126 0.000 1.151 970 S HN -0.200 nan 8.310 nan 0.000 0.491 971 L N 1.015 122.298 121.223 0.100 0.000 2.479 971 L HA 0.465 4.806 4.340 0.001 0.000 0.248 971 L C 0.570 177.505 176.870 0.108 0.000 1.205 971 L CA -0.426 54.469 54.840 0.090 0.000 0.817 971 L CB 0.168 42.267 42.059 0.067 0.000 1.162 971 L HN 0.860 nan 8.230 nan 0.000 0.486 972 L N 0.815 122.098 121.223 0.101 0.000 2.417 972 L HA 0.315 4.655 4.340 0.001 0.000 0.268 972 L C 0.010 176.986 176.870 0.176 0.000 1.158 972 L CA 0.197 55.123 54.840 0.143 0.000 0.819 972 L CB 1.145 43.227 42.059 0.040 0.000 1.112 972 L HN 0.879 nan 8.230 nan 0.000 0.458 973 S N 1.842 117.718 115.700 0.294 0.000 2.537 973 S HA 0.312 4.783 4.470 0.001 0.000 0.270 973 S C 0.344 175.166 174.600 0.369 0.000 1.142 973 S CA -0.822 57.532 58.200 0.255 0.000 0.870 973 S CB 1.494 64.784 63.200 0.150 0.000 1.112 973 S HN 0.328 nan 8.310 nan 0.000 0.466 974 V N 1.769 121.872 119.914 0.315 0.000 2.407 974 V HA -0.127 3.994 4.120 0.001 0.000 0.248 974 V C 2.952 179.067 176.094 0.035 0.000 1.055 974 V CA 2.480 64.949 62.300 0.281 0.000 1.049 974 V CB -1.467 30.528 31.823 0.287 0.000 0.662 974 V HN 1.061 nan 8.190 nan 0.000 0.455 975 A N -0.553 122.311 122.820 0.073 0.000 1.940 975 A HA -0.325 3.996 4.320 0.001 0.000 0.219 975 A C 2.167 179.731 177.584 -0.034 0.000 1.176 975 A CA 2.315 54.376 52.037 0.039 0.000 0.631 975 A CB -0.488 18.553 19.000 0.069 0.000 0.814 975 A HN 0.538 nan 8.150 nan 0.000 0.446 976 Q N -0.511 119.265 119.800 -0.041 0.000 2.187 976 Q HA 0.062 4.402 4.340 0.001 0.000 0.199 976 Q C 1.940 177.715 176.000 -0.374 0.000 0.957 976 Q CA 1.581 57.326 55.803 -0.096 0.000 0.857 976 Q CB -0.730 28.025 28.738 0.029 0.000 0.929 976 Q HN 0.519 nan 8.270 nan 0.000 0.453 977 G N 0.381 108.679 108.800 -0.838 0.000 2.402 977 G HA2 -0.272 3.689 3.960 0.001 0.000 0.216 977 G HA3 -0.272 3.689 3.960 0.001 0.000 0.216 977 G C 1.373 175.815 174.900 -0.764 0.000 1.162 977 G CA 1.020 45.039 45.100 -1.802 0.000 0.777 977 G HN 0.411 nan 8.290 nan 0.000 0.539 978 M N 0.360 119.660 119.600 -0.501 0.000 2.108 978 M HA -0.076 4.404 4.480 0.001 0.000 0.261 978 M C 2.422 178.673 176.300 -0.082 0.000 1.066 978 M CA 1.808 56.976 55.300 -0.220 0.000 1.107 978 M CB -0.632 31.873 32.600 -0.158 0.000 1.356 978 M HN 0.237 nan 8.290 nan 0.000 0.406 979 Q N 0.166 119.911 119.800 -0.091 0.000 2.014 979 Q HA -0.198 4.143 4.340 0.001 0.000 0.207 979 Q C 2.186 178.174 176.000 -0.019 0.000 0.993 979 Q CA 2.533 58.319 55.803 -0.029 0.000 0.850 979 Q CB -0.875 27.846 28.738 -0.030 0.000 0.916 979 Q HN 0.718 nan 8.270 nan 0.000 0.417 980 L N -0.575 120.620 121.223 -0.047 0.000 2.201 980 L HA -0.096 4.245 4.340 0.001 0.000 0.212 980 L C 2.111 179.088 176.870 0.178 0.000 1.105 980 L CA 1.142 55.985 54.840 0.005 0.000 0.775 980 L CB -0.405 41.602 42.059 -0.087 0.000 0.913 980 L HN 0.526 nan 8.230 nan 0.000 0.440 981 W N 0.123 121.418 121.300 -0.008 0.000 2.388 981 W HA -0.237 4.424 4.660 0.001 0.000 0.294 981 W C 2.022 178.477 176.519 -0.107 0.000 1.212 981 W CA 1.198 58.504 57.345 -0.066 0.000 1.271 981 W CB 0.046 29.315 29.460 -0.318 0.000 1.126 981 W HN 0.335 nan 8.180 nan 0.000 0.535 982 L N 1.598 122.743 121.223 -0.131 0.000 2.044 982 L HA -0.119 4.222 4.340 0.001 0.000 0.205 982 L C 2.461 179.254 176.870 -0.129 0.000 1.075 982 L CA 2.432 57.133 54.840 -0.232 0.000 0.747 982 L CB -1.221 40.766 42.059 -0.120 0.000 0.903 982 L HN -0.028 nan 8.230 nan 0.000 0.435 983 E N -1.705 118.478 120.200 -0.029 0.000 2.267 983 E HA -0.287 4.063 4.350 0.001 0.000 0.197 983 E C 1.977 178.616 176.600 0.065 0.000 0.998 983 E CA 1.078 57.486 56.400 0.013 0.000 0.830 983 E CB -0.118 29.588 29.700 0.009 0.000 0.751 983 E HN 0.730 nan 8.360 nan 0.000 0.491 984 H N -0.142 118.876 119.070 -0.087 0.000 2.306 984 H HA -0.023 4.534 4.556 0.001 0.000 0.307 984 H C 2.298 177.564 175.328 -0.103 0.000 1.061 984 H CA 0.970 56.988 56.048 -0.050 0.000 1.359 984 H CB 0.089 29.836 29.762 -0.026 0.000 1.407 984 H HN 0.124 nan 8.280 nan 0.000 0.517 985 L N 0.359 121.319 121.223 -0.438 0.000 1.997 985 L HA -0.228 4.113 4.340 0.001 0.000 0.216 985 L C 2.809 179.513 176.870 -0.276 0.000 1.074 985 L CA 1.252 55.789 54.840 -0.505 0.000 0.763 985 L CB -0.694 41.011 42.059 -0.590 0.000 0.890 985 L HN 0.168 nan 8.230 nan 0.000 0.434 986 V N -0.744 119.065 119.914 -0.176 0.000 2.282 986 V HA -0.367 3.754 4.120 0.001 0.000 0.249 986 V C 2.336 178.398 176.094 -0.053 0.000 1.057 986 V CA 2.301 64.547 62.300 -0.089 0.000 1.032 986 V CB -0.474 31.328 31.823 -0.035 0.000 0.645 986 V HN 0.498 nan 8.190 nan 0.000 0.447 987 Y N 0.019 120.239 120.300 -0.134 0.000 2.114 987 Y HA -0.285 4.265 4.550 0.001 0.000 0.284 987 Y C 2.546 178.361 175.900 -0.142 0.000 1.143 987 Y CA 2.152 60.193 58.100 -0.098 0.000 1.135 987 Y CB -0.866 37.578 38.460 -0.027 0.000 0.980 987 Y HN 0.315 nan 8.280 nan 0.000 0.499 988 C N 0.615 119.724 119.300 -0.318 0.000 2.425 988 C HA -0.101 4.359 4.460 0.001 0.000 0.277 988 C C 3.062 177.870 174.990 -0.304 0.000 1.280 988 C CA 1.109 59.885 59.018 -0.403 0.000 1.744 988 C CB -1.822 25.684 27.740 -0.391 0.000 1.989 988 C HN 0.761 nan 8.230 nan 0.000 0.491 989 A N 0.137 122.816 122.820 -0.236 0.000 1.855 989 A HA -0.133 4.188 4.320 0.001 0.000 0.215 989 A C 2.150 179.640 177.584 -0.157 0.000 1.191 989 A CA 1.924 53.861 52.037 -0.166 0.000 0.613 989 A CB -0.947 17.973 19.000 -0.134 0.000 0.829 989 A HN 0.495 nan 8.150 nan 0.000 0.442 990 S N -0.729 114.873 115.700 -0.162 0.000 2.609 990 S HA 0.259 4.730 4.470 0.001 0.000 0.250 990 S C 1.316 175.809 174.600 -0.178 0.000 0.974 990 S CA 1.135 59.252 58.200 -0.138 0.000 0.962 990 S CB -0.850 62.283 63.200 -0.111 0.000 0.756 990 S HN 1.493 nan 8.310 nan 0.000 0.539 991 G N 0.880 109.550 108.800 -0.217 0.000 3.035 991 G HA2 -0.061 3.899 3.960 0.001 0.000 0.242 991 G HA3 -0.061 3.899 3.960 0.001 0.000 0.242 991 G C 0.351 175.056 174.900 -0.326 0.000 1.524 991 G CA -0.249 44.726 45.100 -0.208 0.000 1.038 991 G HN 1.264 nan 8.290 nan 0.000 0.561 992 G N 0.862 109.471 108.800 -0.319 0.000 2.706 992 G HA2 0.046 4.007 3.960 0.001 0.000 0.343 992 G HA3 0.046 4.007 3.960 0.001 0.000 0.343 992 G C -0.038 174.603 174.900 -0.432 0.000 0.121 992 G CA 1.141 46.011 45.100 -0.385 0.000 1.208 992 G HN 1.180 nan 8.290 nan 0.000 0.529 993 N N 1.780 120.394 118.700 -0.143 0.000 2.419 993 N HA 0.667 5.408 4.740 0.001 0.000 0.264 993 N C 0.801 176.391 175.510 0.133 0.000 1.031 993 N CA 0.792 53.829 53.050 -0.022 0.000 0.951 993 N CB 1.668 40.158 38.487 0.004 0.000 1.101 993 N HN 0.895 nan 8.380 nan 0.000 0.488 994 G N 0.374 109.348 108.800 0.290 0.000 2.570 994 G HA2 0.314 4.275 3.960 0.001 0.000 0.310 994 G HA3 0.314 4.275 3.960 0.001 0.000 0.310 994 G C -1.398 173.727 174.900 0.375 0.000 1.266 994 G CA -0.452 44.849 45.100 0.336 0.000 0.825 994 G HN 0.450 nan 8.290 nan 0.000 0.483 995 E N -1.371 118.977 120.200 0.246 0.000 2.450 995 E HA 0.740 5.091 4.350 0.001 0.000 0.248 995 E C -0.923 175.668 176.600 -0.014 0.000 0.930 995 E CA -0.517 55.980 56.400 0.163 0.000 0.854 995 E CB 1.929 31.689 29.700 0.099 0.000 1.355 995 E HN 0.887 nan 8.360 nan 0.000 0.402 996 S N 0.712 116.323 115.700 -0.148 0.000 2.590 996 S HA 0.549 5.020 4.470 0.001 0.000 0.286 996 S C -1.136 173.296 174.600 -0.279 0.000 1.147 996 S CA -0.986 57.060 58.200 -0.257 0.000 0.963 996 S CB 1.039 64.008 63.200 -0.385 0.000 1.124 996 S HN 0.437 nan 8.310 nan 0.000 0.458 997 R N 1.473 121.795 120.500 -0.296 0.000 2.803 997 R HA 0.741 5.081 4.340 0.001 0.000 0.276 997 R C -1.242 174.780 176.300 -0.463 0.000 0.978 997 R CA -0.796 55.037 56.100 -0.445 0.000 0.939 997 R CB 1.764 31.674 30.300 -0.649 0.000 1.179 997 R HN 0.732 nan 8.270 nan 0.000 0.472 998 L N 3.419 124.379 121.223 -0.439 0.000 2.377 998 L HA 0.509 4.849 4.340 0.001 0.000 0.270 998 L C -1.452 175.314 176.870 -0.174 0.000 0.991 998 L CA -0.658 54.043 54.840 -0.231 0.000 0.851 998 L CB 0.599 42.613 42.059 -0.075 0.000 1.218 998 L HN 0.531 nan 8.230 nan 0.000 0.420 999 F N 5.052 125.093 119.950 0.152 0.000 2.420 999 F HA 0.454 4.982 4.527 0.001 0.000 0.352 999 F C 0.412 176.308 175.800 0.159 0.000 1.108 999 F CA -0.186 57.897 58.000 0.138 0.000 1.162 999 F CB 0.956 40.041 39.000 0.141 0.000 1.118 999 F HN 0.281 nan 8.300 nan 0.000 0.510 1000 L N 2.431 123.838 121.223 0.306 0.000 2.343 1000 L HA 0.603 4.943 4.340 0.001 0.000 0.264 1000 L C 0.594 177.566 176.870 0.171 0.000 1.050 1000 L CA -1.451 53.522 54.840 0.222 0.000 0.956 1000 L CB 1.014 43.179 42.059 0.176 0.000 1.576 1000 L HN 0.397 nan 8.230 nan 0.000 0.521 1001 R N 0.057 120.640 120.500 0.138 0.000 2.652 1001 R HA 0.160 4.500 4.340 0.001 0.000 0.271 1001 R C -0.128 176.214 176.300 0.069 0.000 1.129 1001 R CA -0.596 55.563 56.100 0.097 0.000 1.200 1001 R CB 0.173 30.532 30.300 0.097 0.000 1.146 1001 R HN 0.376 nan 8.270 nan 0.000 0.581 1002 K N 1.823 122.250 120.400 0.045 0.000 3.012 1002 K HA -0.281 4.040 4.320 0.001 0.000 0.259 1002 K C -0.705 175.909 176.600 0.024 0.000 0.989 1002 K CA 1.271 57.575 56.287 0.028 0.000 0.728 1002 K CB -1.467 31.050 32.500 0.028 0.000 1.260 1002 K HN 0.882 nan 8.250 nan 0.000 0.480 1003 D N -2.182 118.235 120.400 0.029 0.000 3.018 1003 D HA -0.170 4.471 4.640 0.001 0.000 0.224 1003 D C 0.819 177.150 176.300 0.053 0.000 1.185 1003 D CA 1.811 55.830 54.000 0.031 0.000 0.858 1003 D CB -1.136 39.665 40.800 0.002 0.000 1.112 1003 D HN 0.672 nan 8.370 nan 0.000 0.415 1004 G N 0.440 109.272 108.800 0.054 0.000 2.664 1004 G HA2 0.278 4.238 3.960 0.001 0.000 0.242 1004 G HA3 0.278 4.238 3.960 0.001 0.000 0.242 1004 G C -0.029 174.903 174.900 0.054 0.000 1.225 1004 G CA 0.222 45.333 45.100 0.018 0.000 0.849 1004 G HN 0.270 nan 8.290 nan 0.000 0.581 1005 E N -0.474 119.687 120.200 -0.066 0.000 2.380 1005 E HA 0.298 4.648 4.350 0.001 0.000 0.281 1005 E C -2.149 174.297 176.600 -0.258 0.000 0.999 1005 E CA -0.878 55.485 56.400 -0.062 0.000 0.800 1005 E CB 1.529 31.247 29.700 0.031 0.000 1.228 1005 E HN 0.508 nan 8.360 nan 0.000 0.436 1006 W N 4.017 125.152 121.300 -0.275 0.000 2.521 1006 W HA 0.429 5.089 4.660 0.001 0.000 0.310 1006 W C -0.384 175.740 176.519 -0.657 0.000 1.000 1006 W CA -0.753 56.306 57.345 -0.478 0.000 1.353 1006 W CB 1.598 30.775 29.460 -0.472 0.000 1.276 1006 W HN 0.248 nan 8.180 nan 0.000 0.417 1007 R N 4.079 124.347 120.500 -0.387 0.000 2.534 1007 R HA 0.622 4.963 4.340 0.001 0.000 0.301 1007 R C -1.497 174.631 176.300 -0.287 0.000 0.961 1007 R CA -0.511 55.384 56.100 -0.341 0.000 0.871 1007 R CB 1.106 31.321 30.300 -0.142 0.000 1.170 1007 R HN 0.431 nan 8.270 nan 0.000 0.446 1008 F N 5.003 124.947 119.950 -0.010 0.000 2.520 1008 F HA 0.450 4.977 4.527 0.001 0.000 0.322 1008 F C -1.854 173.999 175.800 0.088 0.000 1.103 1008 F CA -2.693 55.343 58.000 0.058 0.000 0.926 1008 F CB 2.360 41.365 39.000 0.009 0.000 1.154 1008 F HN 0.368 nan 8.300 nan 0.000 0.453 1009 P HA 0.118 nan 4.420 nan 0.000 0.275 1009 P C -2.553 175.006 177.300 0.433 0.000 1.228 1009 P CA -1.300 62.025 63.100 0.376 0.000 0.786 1009 P CB -0.029 31.893 31.700 0.371 0.000 0.927 1010 P HA 0.039 nan 4.420 nan 0.000 0.265 1010 P C -0.796 176.638 177.300 0.222 0.000 1.193 1010 P CA 0.571 63.851 63.100 0.301 0.000 0.765 1010 P CB 0.353 32.184 31.700 0.219 0.000 0.823 1011 L N 2.030 123.322 121.223 0.115 0.000 2.334 1011 L HA 0.537 4.878 4.340 0.001 0.000 0.272 1011 L C 0.762 177.642 176.870 0.016 0.000 1.020 1011 L CA -1.122 53.756 54.840 0.063 0.000 0.812 1011 L CB 1.223 43.250 42.059 -0.054 0.000 1.264 1011 L HN 0.384 nan 8.230 nan 0.000 0.439 1012 A N 1.323 124.167 122.820 0.040 0.000 2.409 1012 A HA 0.482 4.803 4.320 0.001 0.000 0.267 1012 A C 1.303 178.872 177.584 -0.024 0.000 1.127 1012 A CA 0.295 52.339 52.037 0.012 0.000 0.795 1012 A CB 0.434 19.453 19.000 0.033 0.000 1.061 1012 A HN 0.976 nan 8.150 nan 0.000 0.502 1013 A N 1.997 124.783 122.820 -0.057 0.000 2.082 1013 A HA -0.295 4.026 4.320 0.001 0.000 0.224 1013 A C 1.853 179.404 177.584 -0.055 0.000 1.179 1013 A CA 2.443 54.432 52.037 -0.080 0.000 0.670 1013 A CB -0.546 18.406 19.000 -0.081 0.000 0.817 1013 A HN 1.000 nan 8.150 nan 0.000 0.475 1014 E N -0.272 119.911 120.200 -0.028 0.000 2.016 1014 E HA -0.256 4.095 4.350 0.001 0.000 0.190 1014 E C 2.299 178.901 176.600 0.004 0.000 0.985 1014 E CA 1.114 57.505 56.400 -0.015 0.000 0.802 1014 E CB -0.329 29.364 29.700 -0.011 0.000 0.762 1014 E HN 0.880 nan 8.360 nan 0.000 0.448 1015 Q N 0.168 119.984 119.800 0.026 0.000 2.224 1015 Q HA -0.093 4.248 4.340 0.001 0.000 0.203 1015 Q C 2.037 178.102 176.000 0.107 0.000 0.970 1015 Q CA 1.215 57.067 55.803 0.081 0.000 0.865 1015 Q CB -0.226 28.599 28.738 0.145 0.000 0.922 1015 Q HN 0.257 nan 8.270 nan 0.000 0.445 1016 A N 2.037 124.861 122.820 0.006 0.000 1.865 1016 A HA -0.153 4.168 4.320 0.001 0.000 0.217 1016 A C 2.198 179.733 177.584 -0.082 0.000 1.191 1016 A CA 1.301 53.278 52.037 -0.100 0.000 0.623 1016 A CB -0.690 18.195 19.000 -0.190 0.000 0.826 1016 A HN 0.399 nan 8.150 nan 0.000 0.444 1017 L N -0.404 120.782 121.223 -0.062 0.000 2.129 1017 L HA -0.218 4.122 4.340 0.001 0.000 0.212 1017 L C 2.382 179.226 176.870 -0.042 0.000 1.087 1017 L CA 2.600 57.407 54.840 -0.054 0.000 0.757 1017 L CB -1.600 40.438 42.059 -0.035 0.000 0.896 1017 L HN 0.764 nan 8.230 nan 0.000 0.434 1018 H N -1.304 117.694 119.070 -0.120 0.000 2.389 1018 H HA -0.187 4.370 4.556 0.001 0.000 0.299 1018 H C 1.959 177.143 175.328 -0.240 0.000 1.081 1018 H CA 1.971 57.899 56.048 -0.201 0.000 1.345 1018 H CB -0.070 29.507 29.762 -0.307 0.000 1.393 1018 H HN 0.333 nan 8.280 nan 0.000 0.520 1019 Y N -1.300 118.846 120.300 -0.258 0.000 2.436 1019 Y HA 0.027 4.577 4.550 0.001 0.000 0.288 1019 Y C 2.123 177.882 175.900 -0.236 0.000 1.112 1019 Y CA 0.220 58.155 58.100 -0.275 0.000 1.220 1019 Y CB 0.020 38.355 38.460 -0.210 0.000 1.073 1019 Y HN 0.180 nan 8.280 nan 0.000 0.552 1020 L N -0.477 120.683 121.223 -0.105 0.000 2.447 1020 L HA -0.196 4.144 4.340 0.001 0.000 0.225 1020 L C 1.988 178.829 176.870 -0.048 0.000 1.148 1020 L CA 1.353 56.121 54.840 -0.120 0.000 0.808 1020 L CB -0.509 41.470 42.059 -0.133 0.000 0.928 1020 L HN 0.050 nan 8.230 nan 0.000 0.448 1021 S N -1.237 114.427 115.700 -0.061 0.000 2.341 1021 S HA -0.119 4.352 4.470 0.001 0.000 0.216 1021 S C 1.741 176.379 174.600 0.063 0.000 1.034 1021 S CA 0.862 59.048 58.200 -0.023 0.000 0.964 1021 S CB -0.140 63.015 63.200 -0.076 0.000 0.882 1021 S HN 0.532 nan 8.310 nan 0.000 0.469 1022 Q N 0.793 120.626 119.800 0.055 0.000 2.152 1022 Q HA -0.101 4.240 4.340 0.001 0.000 0.206 1022 Q C 2.127 178.399 176.000 0.453 0.000 0.985 1022 Q CA 1.104 57.053 55.803 0.244 0.000 0.863 1022 Q CB -0.477 28.386 28.738 0.209 0.000 0.904 1022 Q HN 0.485 nan 8.270 nan 0.000 0.422 1023 L N 0.027 121.435 121.223 0.307 0.000 2.056 1023 L HA -0.151 4.190 4.340 0.001 0.000 0.207 1023 L C 2.345 179.498 176.870 0.472 0.000 1.078 1023 L CA 0.850 55.924 54.840 0.390 0.000 0.749 1023 L CB -0.378 41.712 42.059 0.051 0.000 0.901 1023 L HN 0.244 nan 8.230 nan 0.000 0.433 1024 I N 0.088 120.803 120.570 0.242 0.000 2.454 1024 I HA -0.263 3.908 4.170 0.001 0.000 0.254 1024 I C 2.549 178.769 176.117 0.172 0.000 1.156 1024 I CA 0.934 62.323 61.300 0.147 0.000 1.433 1024 I CB 0.014 38.047 38.000 0.055 0.000 1.082 1024 I HN 0.315 nan 8.210 nan 0.000 0.432 1025 E N 1.146 121.489 120.200 0.238 0.000 2.046 1025 E HA -0.137 4.214 4.350 0.001 0.000 0.190 1025 E C 2.158 178.879 176.600 0.201 0.000 0.982 1025 E CA 1.626 58.175 56.400 0.248 0.000 0.800 1025 E CB -0.514 29.386 29.700 0.333 0.000 0.756 1025 E HN 0.360 nan 8.360 nan 0.000 0.449 1026 G N -0.332 108.594 108.800 0.210 0.000 2.440 1026 G HA2 -0.339 3.622 3.960 0.001 0.000 0.218 1026 G HA3 -0.339 3.622 3.960 0.001 0.000 0.218 1026 G C 1.570 176.165 174.900 -0.509 0.000 1.154 1026 G CA 1.048 46.029 45.100 -0.198 0.000 0.767 1026 G HN 0.457 nan 8.290 nan 0.000 0.552 1027 Y N 1.276 121.058 120.300 -0.864 0.000 2.256 1027 Y HA -0.093 4.458 4.550 0.001 0.000 0.288 1027 Y C 2.818 178.206 175.900 -0.852 0.000 1.155 1027 Y CA 1.927 59.092 58.100 -1.559 0.000 1.203 1027 Y CB -0.242 37.647 38.460 -0.951 0.000 0.980 1027 Y HN 0.130 nan 8.280 nan 0.000 0.530 1028 R N 0.216 120.600 120.500 -0.194 0.000 2.064 1028 R HA -0.153 4.187 4.340 0.001 0.000 0.228 1028 R C 2.276 178.393 176.300 -0.304 0.000 1.144 1028 R CA 2.055 58.109 56.100 -0.078 0.000 0.932 1028 R CB -0.245 30.182 30.300 0.211 0.000 0.833 1028 R HN 0.441 nan 8.270 nan 0.000 0.429 1029 E N -0.943 119.173 120.200 -0.139 0.000 2.118 1029 E HA -0.146 4.204 4.350 0.001 0.000 0.195 1029 E C 1.887 178.371 176.600 -0.192 0.000 0.992 1029 E CA 1.111 57.455 56.400 -0.094 0.000 0.804 1029 E CB -0.228 29.488 29.700 0.027 0.000 0.741 1029 E HN 0.544 nan 8.360 nan 0.000 0.458 1030 G N 0.951 109.584 108.800 -0.278 0.000 2.475 1030 G HA2 -0.254 3.707 3.960 0.001 0.000 0.220 1030 G HA3 -0.254 3.707 3.960 0.001 0.000 0.220 1030 G C 1.452 176.247 174.900 -0.174 0.000 1.125 1030 G CA 0.703 45.724 45.100 -0.131 0.000 0.755 1030 G HN 0.095 nan 8.290 nan 0.000 0.565 1031 M N 0.883 120.118 119.600 -0.608 0.000 2.492 1031 M HA 0.114 4.595 4.480 0.001 0.000 0.262 1031 M C 2.578 178.686 176.300 -0.320 0.000 1.090 1031 M CA 0.881 55.756 55.300 -0.709 0.000 1.110 1031 M CB -0.279 31.272 32.600 -1.750 0.000 1.407 1031 M HN 0.374 nan 8.290 nan 0.000 0.470 1032 S N 0.166 115.746 115.700 -0.199 0.000 2.356 1032 S HA 0.282 4.752 4.470 0.001 0.000 0.219 1032 S C 0.795 175.461 174.600 0.110 0.000 1.036 1032 S CA 0.739 58.943 58.200 0.008 0.000 0.965 1032 S CB 0.302 63.504 63.200 0.004 0.000 0.864 1032 S HN 0.419 nan 8.310 nan 0.000 0.471 1033 A N 0.444 123.195 122.820 -0.115 0.000 2.594 1033 A HA 0.740 5.061 4.320 0.001 0.000 0.291 1033 A C -3.090 174.043 177.584 -0.751 0.000 1.105 1033 A CA -1.747 49.952 52.037 -0.562 0.000 0.694 1033 A CB 0.406 19.224 19.000 -0.304 0.000 1.291 1033 A HN 0.225 nan 8.150 nan 0.000 0.410 1034 P HA 0.068 nan 4.420 nan 0.000 0.259 1034 P C -0.433 176.784 177.300 -0.138 0.000 1.211 1034 P CA 0.309 63.116 63.100 -0.489 0.000 0.810 1034 P CB 0.048 31.594 31.700 -0.257 0.000 0.815 1035 L N 5.262 126.443 121.223 -0.070 0.000 2.369 1035 L HA 0.117 4.457 4.340 0.001 0.000 0.279 1035 L C 0.706 177.620 176.870 0.074 0.000 1.108 1035 L CA -0.254 54.592 54.840 0.009 0.000 0.852 1035 L CB 0.231 42.282 42.059 -0.015 0.000 1.169 1035 L HN 0.302 nan 8.230 nan 0.000 0.452 1036 L N 5.572 126.889 121.223 0.156 0.000 2.386 1036 L HA 0.050 4.391 4.340 0.001 0.000 0.164 1036 L C 0.396 177.404 176.870 0.231 0.000 1.119 1036 L CA -0.160 54.827 54.840 0.245 0.000 2.312 1036 L CB -0.313 41.885 42.059 0.231 0.000 2.344 1036 L HN 0.499 nan 8.230 nan 0.000 0.715 1037 V N 0.649 120.720 119.914 0.261 0.000 3.327 1037 V HA -0.163 3.958 4.120 0.001 0.000 0.455 1037 V C -0.544 175.705 176.094 0.258 0.000 0.681 1037 V CA -0.004 62.465 62.300 0.283 0.000 1.970 1037 V CB -1.267 30.747 31.823 0.319 0.000 2.431 1037 V HN 0.362 nan 8.190 nan 0.000 0.494 1038 L N 7.440 128.797 121.223 0.224 0.000 2.321 1038 L HA 0.294 4.635 4.340 0.001 0.000 0.272 1038 L C -0.465 176.490 176.870 0.141 0.000 1.050 1038 L CA -1.547 53.371 54.840 0.130 0.000 0.893 1038 L CB 1.505 43.569 42.059 0.008 0.000 1.272 1038 L HN 0.374 nan 8.230 nan 0.000 0.435 1039 P HA -0.236 nan 4.420 nan 0.000 0.219 1039 P C 0.679 178.081 177.300 0.171 0.000 1.149 1039 P CA 1.557 64.767 63.100 0.184 0.000 0.835 1039 P CB 0.519 32.313 31.700 0.156 0.000 0.778 1040 E N -0.463 119.794 120.200 0.095 0.000 2.110 1040 E HA 0.013 4.363 4.350 0.001 0.000 0.193 1040 E C 2.332 178.953 176.600 0.034 0.000 0.950 1040 E CA 0.730 57.175 56.400 0.075 0.000 0.840 1040 E CB -0.912 28.797 29.700 0.016 0.000 0.809 1040 E HN 0.243 nan 8.360 nan 0.000 0.465 1041 S N 1.302 116.937 115.700 -0.109 0.000 2.343 1041 S HA -0.094 4.376 4.470 0.001 0.000 0.219 1041 S C 2.137 176.748 174.600 0.017 0.000 1.033 1041 S CA 1.338 59.291 58.200 -0.412 0.000 1.014 1041 S CB -0.840 61.735 63.200 -1.042 0.000 0.915 1041 S HN 0.445 nan 8.310 nan 0.000 0.435 1042 G N 1.523 110.455 108.800 0.221 0.000 2.459 1042 G HA2 -0.087 3.874 3.960 0.001 0.000 0.217 1042 G HA3 -0.087 3.874 3.960 0.001 0.000 0.217 1042 G C 1.508 176.639 174.900 0.384 0.000 1.183 1042 G CA 0.973 46.317 45.100 0.406 0.000 0.776 1042 G HN 0.579 nan 8.290 nan 0.000 0.552 1043 G N 1.048 110.052 108.800 0.341 0.000 2.475 1043 G HA2 -0.007 3.954 3.960 0.001 0.000 0.220 1043 G HA3 -0.007 3.954 3.960 0.001 0.000 0.220 1043 G C 1.949 177.053 174.900 0.340 0.000 1.125 1043 G CA 1.713 47.077 45.100 0.440 0.000 0.755 1043 G HN 0.708 nan 8.290 nan 0.000 0.565 1044 A N 0.098 123.084 122.820 0.277 0.000 1.826 1044 A HA 0.009 4.329 4.320 0.001 0.000 0.214 1044 A C 2.158 179.887 177.584 0.241 0.000 1.212 1044 A CA 1.500 53.668 52.037 0.218 0.000 0.605 1044 A CB -1.063 18.046 19.000 0.181 0.000 0.861 1044 A HN 0.522 nan 8.150 nan 0.000 0.447 1045 W N 0.234 121.647 121.300 0.189 0.000 2.325 1045 W HA -0.214 4.447 4.660 0.001 0.000 0.299 1045 W C 1.795 178.331 176.519 0.028 0.000 1.215 1045 W CA 1.832 59.267 57.345 0.151 0.000 1.244 1045 W CB -0.009 29.593 29.460 0.236 0.000 1.140 1045 W HN 0.277 nan 8.180 nan 0.000 0.523 1046 L N 1.443 122.942 121.223 0.459 0.000 2.141 1046 L HA -0.158 4.183 4.340 0.001 0.000 0.209 1046 L C 2.206 178.873 176.870 -0.338 0.000 1.094 1046 L CA 2.048 56.992 54.840 0.174 0.000 0.763 1046 L CB -1.137 41.004 42.059 0.137 0.000 0.908 1046 L HN 0.124 nan 8.230 nan 0.000 0.437 1047 K N -1.425 118.733 120.400 -0.404 0.000 2.305 1047 K HA -0.072 4.248 4.320 0.001 0.000 0.199 1047 K C 1.674 178.155 176.600 -0.199 0.000 1.047 1047 K CA 0.999 56.997 56.287 -0.481 0.000 0.976 1047 K CB 0.304 32.691 32.500 -0.188 0.000 0.765 1047 K HN 0.191 nan 8.250 nan 0.000 0.474 1048 T N -0.069 114.376 114.554 -0.182 0.000 2.985 1048 T HA -0.058 4.292 4.350 0.001 0.000 0.266 1048 T C 1.625 176.175 174.700 -0.249 0.000 1.076 1048 T CA 0.882 62.867 62.100 -0.192 0.000 1.135 1048 T CB -0.036 68.701 68.868 -0.218 0.000 0.890 1048 T HN 0.336 nan 8.240 nan 0.000 0.480 1049 C N -0.095 119.008 119.300 -0.329 0.000 2.590 1049 C HA 0.336 4.797 4.460 0.001 0.000 0.272 1049 C C 1.132 176.043 174.990 -0.133 0.000 1.338 1049 C CA -1.326 57.507 59.018 -0.308 0.000 1.746 1049 C CB -1.041 26.389 27.740 -0.517 0.000 2.020 1049 C HN 0.525 nan 8.230 nan 0.000 0.531 1050 Y N 2.231 122.401 120.300 -0.215 0.000 2.314 1050 Y HA 0.422 4.972 4.550 0.001 0.000 0.334 1050 Y C 0.067 175.909 175.900 -0.098 0.000 1.266 1050 Y CA 0.371 58.386 58.100 -0.140 0.000 1.391 1050 Y CB 0.310 38.665 38.460 -0.176 0.000 1.306 1050 Y HN 0.175 nan 8.280 nan 0.000 0.558 1051 D N 2.185 121.970 120.400 -1.025 0.000 2.977 1051 D HA 0.304 4.945 4.640 0.001 0.000 0.220 1051 D C -0.171 175.642 176.300 -0.811 0.000 1.267 1051 D CA 0.013 53.624 54.000 -0.648 0.000 0.884 1051 D CB 2.125 42.703 40.800 -0.369 0.000 1.667 1051 D HN 0.757 nan 8.370 nan 0.000 0.536 1052 A N 3.321 125.927 122.820 -0.356 0.000 2.019 1052 A HA -0.125 4.196 4.320 0.001 0.000 0.219 1052 A C 0.953 178.450 177.584 -0.145 0.000 1.164 1052 A CA 1.122 53.069 52.037 -0.151 0.000 0.644 1052 A CB -0.115 18.879 19.000 -0.009 0.000 0.805 1052 A HN 0.496 nan 8.150 nan 0.000 0.449 1053 Q N -0.406 119.295 119.800 -0.164 0.000 2.307 1053 Q HA 0.362 4.702 4.340 0.001 0.000 0.259 1053 Q C 0.468 176.394 176.000 -0.124 0.000 0.998 1053 Q CA 0.491 56.226 55.803 -0.113 0.000 0.923 1053 Q CB 0.549 29.231 28.738 -0.092 0.000 1.196 1053 Q HN 0.515 nan 8.270 nan 0.000 0.416 1054 N N 2.709 121.361 118.700 -0.080 0.000 2.778 1054 N HA -0.287 4.453 4.740 0.001 0.000 0.249 1054 N C -0.974 174.494 175.510 -0.070 0.000 1.069 1054 N CA 1.373 54.386 53.050 -0.061 0.000 0.831 1054 N CB -1.040 37.414 38.487 -0.055 0.000 1.142 1054 N HN 0.904 nan 8.380 nan 0.000 0.573 1055 D N -2.618 117.713 120.400 -0.115 0.000 2.697 1055 D HA -0.209 4.432 4.640 0.001 0.000 0.238 1055 D C -0.215 176.007 176.300 -0.130 0.000 1.152 1055 D CA 1.218 55.159 54.000 -0.098 0.000 0.666 1055 D CB -1.307 39.528 40.800 0.059 0.000 1.037 1055 D HN 0.784 nan 8.370 nan 0.000 0.423 1056 A N 1.952 124.618 122.820 -0.257 0.000 2.376 1056 A HA 0.452 4.772 4.320 0.001 0.000 0.298 1056 A C 0.613 178.086 177.584 -0.185 0.000 1.271 1056 A CA -0.339 51.589 52.037 -0.182 0.000 0.926 1056 A CB 0.337 19.235 19.000 -0.169 0.000 1.141 1056 A HN 0.424 nan 8.150 nan 0.000 0.539 1057 M N 3.955 123.525 119.600 -0.050 0.000 2.094 1057 M HA 0.263 4.743 4.480 0.001 0.000 0.348 1057 M C -0.409 175.876 176.300 -0.024 0.000 1.267 1057 M CA -0.350 54.958 55.300 0.014 0.000 1.125 1057 M CB -0.065 32.598 32.600 0.105 0.000 1.527 1057 M HN 0.562 nan 8.290 nan 0.000 0.447 1058 L N 3.397 124.576 121.223 -0.073 0.000 2.426 1058 L HA 0.093 4.433 4.340 0.001 0.000 0.271 1058 L C 1.195 178.024 176.870 -0.068 0.000 1.169 1058 L CA 0.129 54.918 54.840 -0.084 0.000 0.836 1058 L CB 0.466 42.451 42.059 -0.124 0.000 1.112 1058 L HN 0.613 nan 8.230 nan 0.000 0.465 1059 D N -0.224 120.148 120.400 -0.046 0.000 2.514 1059 D HA -0.032 4.608 4.640 0.001 0.000 0.225 1059 D C -0.231 176.052 176.300 -0.028 0.000 1.159 1059 D CA -0.109 53.880 54.000 -0.019 0.000 0.823 1059 D CB 0.617 41.421 40.800 0.007 0.000 1.097 1059 D HN 0.647 nan 8.370 nan 0.000 0.519 1060 D N 1.267 121.639 120.400 -0.046 0.000 2.455 1060 D HA -0.084 4.557 4.640 0.001 0.000 0.241 1060 D C 0.545 176.818 176.300 -0.046 0.000 1.138 1060 D CA -0.074 53.901 54.000 -0.042 0.000 0.877 1060 D CB 1.214 41.986 40.800 -0.047 0.000 1.187 1060 D HN -0.081 nan 8.370 nan 0.000 0.451 1061 D N 1.062 121.445 120.400 -0.029 0.000 2.411 1061 D HA -0.130 4.510 4.640 0.001 0.000 0.226 1061 D C 1.813 178.092 176.300 -0.035 0.000 0.988 1061 D CA 0.745 54.730 54.000 -0.025 0.000 0.938 1061 D CB 0.150 40.942 40.800 -0.014 0.000 0.883 1061 D HN 0.546 nan 8.370 nan 0.000 0.525 1062 S N -0.284 115.389 115.700 -0.045 0.000 2.336 1062 S HA -0.135 4.336 4.470 0.001 0.000 0.216 1062 S C 2.159 176.719 174.600 -0.068 0.000 1.032 1062 S CA 1.544 59.715 58.200 -0.048 0.000 0.973 1062 S CB -0.648 62.525 63.200 -0.046 0.000 0.888 1062 S HN 0.295 nan 8.310 nan 0.000 0.455 1063 T N 0.396 114.892 114.554 -0.096 0.000 2.978 1063 T HA 0.244 4.595 4.350 0.001 0.000 0.262 1063 T C 1.838 176.421 174.700 -0.196 0.000 1.063 1063 T CA 0.385 62.399 62.100 -0.143 0.000 1.140 1063 T CB -0.826 67.938 68.868 -0.173 0.000 0.886 1063 T HN 0.280 nan 8.240 nan 0.000 0.470 1064 L N 0.536 121.659 121.223 -0.167 0.000 2.450 1064 L HA -0.121 4.220 4.340 0.001 0.000 0.225 1064 L C 2.724 179.547 176.870 -0.078 0.000 1.145 1064 L CA 1.416 56.164 54.840 -0.152 0.000 0.801 1064 L CB -0.380 41.657 42.059 -0.037 0.000 0.924 1064 L HN 0.489 nan 8.230 nan 0.000 0.447 1065 Q N -1.390 118.370 119.800 -0.068 0.000 2.402 1065 Q HA -0.025 4.315 4.340 0.001 0.000 0.231 1065 Q C 1.912 177.895 176.000 -0.029 0.000 0.888 1065 Q CA 0.141 55.930 55.803 -0.022 0.000 0.938 1065 Q CB 0.416 29.147 28.738 -0.013 0.000 1.086 1065 Q HN 0.418 nan 8.270 nan 0.000 0.543 1066 K N 0.911 121.269 120.400 -0.070 0.000 2.116 1066 K HA 0.029 4.350 4.320 0.001 0.000 0.203 1066 K C 2.095 178.654 176.600 -0.069 0.000 1.052 1066 K CA 0.989 57.242 56.287 -0.058 0.000 0.952 1066 K CB -0.024 32.430 32.500 -0.076 0.000 0.729 1066 K HN 0.064 nan 8.250 nan 0.000 0.446 1067 A N 1.941 124.649 122.820 -0.187 0.000 1.877 1067 A HA -0.203 4.118 4.320 0.001 0.000 0.216 1067 A C 2.112 179.712 177.584 0.027 0.000 1.186 1067 A CA 1.564 53.423 52.037 -0.297 0.000 0.620 1067 A CB -0.544 17.863 19.000 -0.989 0.000 0.822 1067 A HN 0.236 nan 8.150 nan 0.000 0.443 1068 R N -0.719 119.843 120.500 0.104 0.000 2.249 1068 R HA -0.120 4.221 4.340 0.001 0.000 0.230 1068 R C 1.711 178.152 176.300 0.233 0.000 1.121 1068 R CA 1.872 58.132 56.100 0.266 0.000 0.997 1068 R CB -0.381 30.015 30.300 0.159 0.000 0.867 1068 R HN 0.569 nan 8.270 nan 0.000 0.465 1069 T N 0.540 115.184 114.554 0.149 0.000 2.814 1069 T HA 0.007 4.357 4.350 0.001 0.000 0.254 1069 T C 1.506 176.303 174.700 0.162 0.000 1.037 1069 T CA 0.558 62.736 62.100 0.131 0.000 1.143 1069 T CB 0.001 68.910 68.868 0.069 0.000 0.866 1069 T HN 0.108 nan 8.240 nan 0.000 0.431 1070 K N 1.113 121.597 120.400 0.140 0.000 2.113 1070 K HA -0.073 4.247 4.320 0.001 0.000 0.208 1070 K C 1.903 178.625 176.600 0.203 0.000 1.047 1070 K CA 1.156 57.525 56.287 0.136 0.000 0.928 1070 K CB -0.829 31.731 32.500 0.100 0.000 0.716 1070 K HN 0.382 nan 8.250 nan 0.000 0.446 1071 F N 1.677 121.723 119.950 0.160 0.000 2.014 1071 F HA -0.172 4.356 4.527 0.001 0.000 0.295 1071 F C 2.133 178.030 175.800 0.161 0.000 1.145 1071 F CA 1.410 59.525 58.000 0.192 0.000 1.178 1071 F CB -0.403 38.747 39.000 0.249 0.000 0.972 1071 F HN -0.138 nan 8.300 nan 0.000 0.476 1072 L N 0.068 121.551 121.223 0.433 0.000 2.187 1072 L HA -0.267 4.074 4.340 0.001 0.000 0.213 1072 L C 2.490 179.457 176.870 0.161 0.000 1.100 1072 L CA 1.585 56.601 54.840 0.295 0.000 0.765 1072 L CB -0.921 41.297 42.059 0.264 0.000 0.904 1072 L HN 0.400 nan 8.230 nan 0.000 0.437 1073 Q N -0.253 119.621 119.800 0.124 0.000 2.167 1073 Q HA -0.172 4.169 4.340 0.001 0.000 0.202 1073 Q C 2.222 178.242 176.000 0.033 0.000 0.970 1073 Q CA 1.603 57.450 55.803 0.075 0.000 0.855 1073 Q CB 0.063 28.844 28.738 0.072 0.000 0.911 1073 Q HN 0.552 nan 8.270 nan 0.000 0.438 1074 A N -0.865 121.954 122.820 -0.001 0.000 1.911 1074 A HA -0.095 4.226 4.320 0.001 0.000 0.212 1074 A C 1.712 179.236 177.584 -0.099 0.000 1.189 1074 A CA 0.508 52.514 52.037 -0.051 0.000 0.639 1074 A CB -0.718 18.241 19.000 -0.068 0.000 0.839 1074 A HN 0.560 nan 8.150 nan 0.000 0.449 1075 Y N 1.904 122.040 120.300 -0.274 0.000 2.128 1075 Y HA -0.143 4.408 4.550 0.001 0.000 0.284 1075 Y C 0.692 176.529 175.900 -0.105 0.000 1.154 1075 Y CA 1.833 59.779 58.100 -0.257 0.000 1.149 1075 Y CB 0.099 38.387 38.460 -0.287 0.000 0.976 1075 Y HN 0.501 nan 8.280 nan 0.000 0.505 1076 E N 0.049 120.250 120.200 0.001 0.000 2.437 1076 E HA 0.430 4.780 4.350 0.001 0.000 0.238 1076 E C 0.304 176.903 176.600 -0.003 0.000 0.969 1076 E CA -0.340 56.045 56.400 -0.025 0.000 0.759 1076 E CB 0.852 30.618 29.700 0.110 0.000 1.283 1076 E HN 0.297 nan 8.360 nan 0.000 0.416 1077 G N 3.241 112.017 108.800 -0.039 0.000 2.527 1077 G HA2 -0.046 3.914 3.960 0.001 0.000 0.279 1077 G HA3 -0.046 3.914 3.960 0.001 0.000 0.279 1077 G C 0.179 175.079 174.900 -0.000 0.000 1.374 1077 G CA -0.518 44.573 45.100 -0.016 0.000 1.053 1077 G HN 0.583 nan 8.290 nan 0.000 0.539 1078 N N -0.732 117.970 118.700 0.003 0.000 2.255 1078 N HA 0.095 4.836 4.740 0.001 0.000 0.260 1078 N C 1.783 177.295 175.510 0.004 0.000 1.288 1078 N CA 0.574 53.628 53.050 0.008 0.000 0.894 1078 N CB 0.109 38.601 38.487 0.009 0.000 1.033 1078 N HN 0.578 nan 8.380 nan 0.000 0.477 1079 M N -1.599 118.005 119.600 0.006 0.000 2.509 1079 M HA 0.200 4.681 4.480 0.001 0.000 0.250 1079 M C 0.652 176.953 176.300 0.002 0.000 1.132 1079 M CA 0.722 56.024 55.300 0.004 0.000 1.080 1079 M CB 0.323 32.927 32.600 0.006 0.000 1.408 1079 M HN 0.346 nan 8.290 nan 0.000 0.484 1080 M N 1.856 121.458 119.600 0.003 0.000 2.643 1080 M HA 0.264 4.745 4.480 0.001 0.000 0.209 1080 M C 1.141 177.441 176.300 0.000 0.000 1.328 1080 M CA 0.385 55.687 55.300 0.004 0.000 1.305 1080 M CB -0.605 32.000 32.600 0.008 0.000 1.048 1080 M HN 0.226 nan 8.290 nan 0.000 0.504 1081 V N 1.146 121.061 119.914 0.002 0.000 2.811 1081 V HA 0.336 4.456 4.120 0.001 0.000 0.302 1081 V C -0.329 175.758 176.094 -0.012 0.000 1.063 1081 V CA -0.401 61.898 62.300 -0.003 0.000 1.088 1081 V CB 0.458 32.282 31.823 0.002 0.000 0.982 1081 V HN 0.504 nan 8.190 nan 0.000 0.485 1082 R N 3.100 123.586 120.500 -0.024 0.000 2.518 1082 R HA 0.521 4.861 4.340 0.001 0.000 0.296 1082 R C 0.412 176.671 176.300 -0.068 0.000 1.080 1082 R CA -0.108 55.968 56.100 -0.040 0.000 0.922 1082 R CB 1.524 31.802 30.300 -0.037 0.000 1.184 1082 R HN 1.441 nan 8.270 nan 0.000 0.445 1083 G N 1.850 110.597 108.800 -0.088 0.000 2.956 1083 G HA2 -0.283 3.678 3.960 0.001 0.000 0.258 1083 G HA3 -0.283 3.678 3.960 0.001 0.000 0.258 1083 G C 0.710 175.483 174.900 -0.212 0.000 0.437 1083 G CA 0.099 45.104 45.100 -0.158 0.000 1.163 1083 G HN 0.832 nan 8.290 nan 0.000 0.231 1084 E N 1.678 121.725 120.200 -0.255 0.000 2.110 1084 E HA -0.133 4.218 4.350 0.001 0.000 0.193 1084 E C 2.709 179.076 176.600 -0.387 0.000 0.988 1084 E CA 1.157 57.410 56.400 -0.246 0.000 0.804 1084 E CB -0.382 29.171 29.700 -0.244 0.000 0.745 1084 E HN 0.681 nan 8.360 nan 0.000 0.458 1085 G N 0.956 109.232 108.800 -0.873 0.000 2.440 1085 G HA2 -0.280 3.681 3.960 0.001 0.000 0.218 1085 G HA3 -0.280 3.681 3.960 0.001 0.000 0.218 1085 G C 0.656 175.317 174.900 -0.398 0.000 1.154 1085 G CA 0.726 45.155 45.100 -1.117 0.000 0.767 1085 G HN 0.263 nan 8.290 nan 0.000 0.552 1086 D N 1.045 121.255 120.400 -0.316 0.000 2.422 1086 D HA 0.227 4.868 4.640 0.001 0.000 0.263 1086 D C -0.681 175.557 176.300 -0.103 0.000 1.334 1086 D CA 0.077 53.978 54.000 -0.166 0.000 1.105 1086 D CB -0.216 40.502 40.800 -0.137 0.000 1.107 1086 D HN 0.175 nan 8.370 nan 0.000 0.522 1087 D N 3.712 124.060 120.400 -0.086 0.000 2.614 1087 D HA -0.034 4.607 4.640 0.001 0.000 0.203 1087 D C 1.553 177.701 176.300 -0.255 0.000 1.312 1087 D CA -0.563 53.396 54.000 -0.068 0.000 0.889 1087 D CB 0.622 41.545 40.800 0.205 0.000 1.615 1087 D HN 0.307 nan 8.370 nan 0.000 0.567 1088 I N 0.573 120.836 120.570 -0.510 0.000 2.121 1088 I HA -0.295 3.875 4.170 0.001 0.000 0.243 1088 I C 1.834 177.414 176.117 -0.896 0.000 1.047 1088 I CA 1.176 61.990 61.300 -0.811 0.000 1.308 1088 I CB -0.789 36.510 38.000 -1.167 0.000 1.015 1088 I HN 0.398 nan 8.210 nan 0.000 0.410 1089 W N 0.541 121.463 121.300 -0.630 0.000 2.301 1089 W HA -0.248 4.412 4.660 0.001 0.000 0.325 1089 W C 2.719 178.775 176.519 -0.770 0.000 1.250 1089 W CA 1.179 58.020 57.345 -0.840 0.000 1.261 1089 W CB -1.187 27.802 29.460 -0.784 0.000 1.157 1089 W HN 0.105 nan 8.180 nan 0.000 0.473 1090 Y N 0.381 120.564 120.300 -0.195 0.000 2.242 1090 Y HA -0.230 4.320 4.550 0.001 0.000 0.291 1090 Y C 2.634 178.097 175.900 -0.728 0.000 1.137 1090 Y CA 1.204 59.008 58.100 -0.492 0.000 1.181 1090 Y CB -1.285 37.001 38.460 -0.290 0.000 0.989 1090 Y HN 0.006 nan 8.280 nan 0.000 0.527 1091 Q N 0.210 119.780 119.800 -0.383 0.000 2.112 1091 Q HA -0.226 4.115 4.340 0.001 0.000 0.206 1091 Q C 2.247 177.994 176.000 -0.420 0.000 0.987 1091 Q CA 1.250 56.825 55.803 -0.381 0.000 0.858 1091 Q CB -0.422 28.102 28.738 -0.356 0.000 0.905 1091 Q HN 0.410 nan 8.270 nan 0.000 0.420 1092 R N 0.411 120.591 120.500 -0.533 0.000 2.237 1092 R HA -0.003 4.338 4.340 0.001 0.000 0.219 1092 R C 2.212 178.319 176.300 -0.321 0.000 1.080 1092 R CA 0.455 56.266 56.100 -0.482 0.000 0.995 1092 R CB -0.074 29.834 30.300 -0.654 0.000 0.875 1092 R HN 0.295 nan 8.270 nan 0.000 0.462 1093 L N -1.360 119.674 121.223 -0.316 0.000 2.127 1093 L HA 0.016 4.357 4.340 0.001 0.000 0.203 1093 L C 0.217 177.177 176.870 0.150 0.000 1.080 1093 L CA 0.451 55.250 54.840 -0.069 0.000 0.768 1093 L CB -0.109 41.793 42.059 -0.261 0.000 0.924 1093 L HN 0.114 nan 8.230 nan 0.000 0.444 1094 W N -2.872 118.491 121.300 0.106 0.000 3.573 1094 W HA 0.473 5.134 4.660 0.001 0.000 0.306 1094 W C 0.183 176.750 176.519 0.080 0.000 1.227 1094 W CA -1.108 56.292 57.345 0.093 0.000 1.212 1094 W CB 0.590 30.114 29.460 0.107 0.000 1.331 1094 W HN -0.319 nan 8.180 nan 0.000 0.524 1095 R N 0.684 121.330 120.500 0.244 0.000 2.210 1095 R HA 0.016 4.357 4.340 0.001 0.000 0.203 1095 R C 0.428 176.878 176.300 0.251 0.000 1.010 1095 R CA 0.934 57.130 56.100 0.160 0.000 1.008 1095 R CB 0.254 30.606 30.300 0.086 0.000 0.923 1095 R HN 0.561 nan 8.270 nan 0.000 0.469 1096 Q N 0.440 120.433 119.800 0.321 0.000 2.372 1096 Q HA 0.209 4.550 4.340 0.001 0.000 0.273 1096 Q C -1.064 175.082 176.000 0.243 0.000 1.078 1096 Q CA -0.624 55.333 55.803 0.256 0.000 0.806 1096 Q CB 1.475 30.299 28.738 0.143 0.000 1.332 1096 Q HN 0.032 nan 8.270 nan 0.000 0.435 1097 L N 3.065 124.374 121.223 0.143 0.000 2.313 1097 L HA 0.288 4.629 4.340 0.001 0.000 0.282 1097 L C 0.136 176.906 176.870 -0.168 0.000 1.092 1097 L CA 0.020 54.779 54.840 -0.135 0.000 0.831 1097 L CB 1.177 43.072 42.059 -0.273 0.000 1.159 1097 L HN 0.969 nan 8.230 nan 0.000 0.442 1098 T N 2.381 116.779 114.554 -0.261 0.000 2.875 1098 T HA 0.338 4.689 4.350 0.001 0.000 0.284 1098 T C -1.326 173.238 174.700 -0.226 0.000 0.995 1098 T CA -1.823 60.164 62.100 -0.188 0.000 1.060 1098 T CB 1.621 70.392 68.868 -0.162 0.000 0.967 1098 T HN 0.472 nan 8.240 nan 0.000 0.476 1099 P HA -0.108 nan 4.420 nan 0.000 0.222 1099 P C 0.703 177.883 177.300 -0.200 0.000 1.142 1099 P CA 1.014 64.008 63.100 -0.177 0.000 0.788 1099 P CB 0.375 32.003 31.700 -0.119 0.000 0.767 1100 E N 0.296 120.384 120.200 -0.187 0.000 2.005 1100 E HA -0.102 4.249 4.350 0.001 0.000 0.191 1100 E C 2.240 178.698 176.600 -0.236 0.000 0.987 1100 E CA 2.136 58.430 56.400 -0.177 0.000 0.814 1100 E CB -1.593 28.026 29.700 -0.136 0.000 0.772 1100 E HN 0.307 nan 8.360 nan 0.000 0.453 1101 T N -0.770 113.600 114.554 -0.307 0.000 2.996 1101 T HA -0.180 4.171 4.350 0.001 0.000 0.271 1101 T C 1.822 176.264 174.700 -0.430 0.000 1.126 1101 T CA 1.309 63.161 62.100 -0.412 0.000 1.103 1101 T CB -0.198 68.250 68.868 -0.700 0.000 0.870 1101 T HN 0.090 nan 8.240 nan 0.000 0.528 1102 M N 0.668 120.024 119.600 -0.406 0.000 2.156 1102 M HA -0.014 4.467 4.480 0.001 0.000 0.264 1102 M C 2.392 178.429 176.300 -0.438 0.000 1.067 1102 M CA 1.562 56.603 55.300 -0.432 0.000 1.131 1102 M CB -0.124 32.199 32.600 -0.462 0.000 1.368 1102 M HN 0.221 nan 8.290 nan 0.000 0.416 1103 E N 0.279 120.261 120.200 -0.364 0.000 2.023 1103 E HA -0.238 4.112 4.350 0.001 0.000 0.196 1103 E C 1.966 178.406 176.600 -0.267 0.000 1.003 1103 E CA 1.512 57.714 56.400 -0.331 0.000 0.809 1103 E CB -0.280 29.281 29.700 -0.231 0.000 0.755 1103 E HN 0.670 nan 8.360 nan 0.000 0.449 1104 A N 1.109 123.810 122.820 -0.199 0.000 1.958 1104 A HA -0.239 4.082 4.320 0.001 0.000 0.221 1104 A C 2.135 179.670 177.584 -0.082 0.000 1.178 1104 A CA 1.476 53.442 52.037 -0.118 0.000 0.642 1104 A CB -0.747 18.192 19.000 -0.103 0.000 0.816 1104 A HN 0.237 nan 8.150 nan 0.000 0.453 1105 I N -0.887 119.611 120.570 -0.120 0.000 2.252 1105 I HA -0.194 3.977 4.170 0.001 0.000 0.245 1105 I C 2.306 178.400 176.117 -0.038 0.000 1.102 1105 I CA 1.059 62.353 61.300 -0.009 0.000 1.385 1105 I CB -0.289 37.748 38.000 0.062 0.000 1.064 1105 I HN 0.193 nan 8.210 nan 0.000 0.414 1106 V N 0.522 120.277 119.914 -0.265 0.000 2.231 1106 V HA -0.233 3.888 4.120 0.001 0.000 0.240 1106 V C 2.293 178.238 176.094 -0.249 0.000 1.039 1106 V CA 1.689 63.739 62.300 -0.416 0.000 0.998 1106 V CB -0.722 30.510 31.823 -0.985 0.000 0.639 1106 V HN 0.347 nan 8.190 nan 0.000 0.451 1107 E N -0.274 119.779 120.200 -0.245 0.000 2.113 1107 E HA -0.396 3.954 4.350 0.001 0.000 0.210 1107 E C 2.273 178.864 176.600 -0.014 0.000 1.040 1107 E CA 2.355 58.683 56.400 -0.120 0.000 0.847 1107 E CB -0.183 29.460 29.700 -0.095 0.000 0.755 1107 E HN 0.492 nan 8.360 nan 0.000 0.459 1108 Q N 0.154 119.979 119.800 0.042 0.000 2.046 1108 Q HA -0.113 4.227 4.340 0.001 0.000 0.200 1108 Q C 2.102 178.288 176.000 0.310 0.000 0.975 1108 Q CA 2.035 57.947 55.803 0.183 0.000 0.836 1108 Q CB -0.131 28.732 28.738 0.208 0.000 0.896 1108 Q HN 0.267 nan 8.270 nan 0.000 0.428 1109 S N -0.822 115.028 115.700 0.250 0.000 2.555 1109 S HA -0.111 4.360 4.470 0.001 0.000 0.230 1109 S C 1.727 176.495 174.600 0.279 0.000 0.978 1109 S CA 0.849 59.242 58.200 0.321 0.000 0.934 1109 S CB -0.058 63.306 63.200 0.274 0.000 0.766 1109 S HN 0.509 nan 8.310 nan 0.000 0.533 1110 Q N 1.299 121.204 119.800 0.174 0.000 2.297 1110 Q HA 0.149 4.490 4.340 0.001 0.000 0.203 1110 Q C 2.358 178.428 176.000 0.117 0.000 0.931 1110 Q CA 0.131 56.025 55.803 0.152 0.000 0.885 1110 Q CB -0.093 28.700 28.738 0.091 0.000 0.991 1110 Q HN 0.627 nan 8.270 nan 0.000 0.498 1111 R N -0.770 119.758 120.500 0.047 0.000 2.193 1111 R HA -0.106 4.235 4.340 0.001 0.000 0.229 1111 R C 0.668 176.796 176.300 -0.287 0.000 1.110 1111 R CA 1.299 57.305 56.100 -0.157 0.000 0.988 1111 R CB 0.109 30.223 30.300 -0.310 0.000 0.871 1111 R HN 0.270 nan 8.270 nan 0.000 0.458 1112 F N -1.045 119.030 119.950 0.208 0.000 2.667 1112 F HA 0.200 4.728 4.527 0.001 0.000 0.288 1112 F C 1.591 177.453 175.800 0.104 0.000 1.086 1112 F CA -0.118 58.006 58.000 0.207 0.000 1.297 1112 F CB 0.220 39.447 39.000 0.378 0.000 1.059 1112 F HN -0.144 nan 8.300 nan 0.000 0.624 1113 L N -0.113 121.298 121.223 0.314 0.000 2.558 1113 L HA 0.001 4.342 4.340 0.001 0.000 0.225 1113 L C 2.052 179.043 176.870 0.201 0.000 1.128 1113 L CA 0.134 55.102 54.840 0.214 0.000 0.868 1113 L CB -0.168 42.086 42.059 0.325 0.000 1.006 1113 L HN 0.191 nan 8.230 nan 0.000 0.454 1114 L N 1.749 123.075 121.223 0.172 0.000 2.027 1114 L HA -0.034 4.307 4.340 0.001 0.000 0.206 1114 L C -0.297 176.574 176.870 0.002 0.000 1.074 1114 L CA 1.941 56.864 54.840 0.138 0.000 0.745 1114 L CB -1.392 40.736 42.059 0.116 0.000 0.898 1114 L HN 0.056 nan 8.230 nan 0.000 0.433 1115 P HA -0.239 nan 4.420 nan 0.000 0.218 1115 P C 2.032 178.930 177.300 -0.670 0.000 1.146 1115 P CA 1.707 64.662 63.100 -0.242 0.000 0.820 1115 P CB -0.118 31.403 31.700 -0.299 0.000 0.778 1116 L N -2.227 118.528 121.223 -0.780 0.000 2.042 1116 L HA -0.157 4.183 4.340 0.001 0.000 0.210 1116 L C 2.661 179.314 176.870 -0.361 0.000 1.076 1116 L CA 1.604 55.929 54.840 -0.857 0.000 0.749 1116 L CB -0.882 40.738 42.059 -0.733 0.000 0.893 1116 L HN -0.104 nan 8.230 nan 0.000 0.432 1117 F N -0.894 118.957 119.950 -0.165 0.000 2.335 1117 F HA 0.019 4.546 4.527 0.001 0.000 0.296 1117 F C 2.558 178.142 175.800 -0.360 0.000 1.091 1117 F CA 0.475 58.337 58.000 -0.230 0.000 1.399 1117 F CB -0.288 38.407 39.000 -0.508 0.000 1.067 1117 F HN -0.181 nan 8.300 nan 0.000 0.520 1118 R N -0.779 119.574 120.500 -0.244 0.000 2.293 1118 R HA -0.089 4.252 4.340 0.001 0.000 0.219 1118 R C 0.825 176.965 176.300 -0.267 0.000 1.091 1118 R CA 1.125 57.123 56.100 -0.170 0.000 1.004 1118 R CB -0.264 29.957 30.300 -0.132 0.000 0.865 1118 R HN 0.301 nan 8.270 nan 0.000 0.469 1119 F N -1.332 118.572 119.950 -0.076 0.000 2.784 1119 F HA 0.157 4.684 4.527 0.001 0.000 0.323 1119 F C 0.573 176.554 175.800 0.303 0.000 1.085 1119 F CA -0.869 57.152 58.000 0.035 0.000 1.196 1119 F CB 0.033 38.908 39.000 -0.209 0.000 1.053 1119 F HN -0.150 nan 8.300 nan 0.000 0.578 1120 N N 1.770 120.778 118.700 0.513 0.000 2.412 1120 N HA 0.171 4.912 4.740 0.001 0.000 0.254 1120 N C -0.026 175.614 175.510 0.217 0.000 1.232 1120 N CA 0.788 54.099 53.050 0.434 0.000 0.880 1120 N CB 0.294 38.911 38.487 0.216 0.000 1.076 1120 N HN 0.169 nan 8.380 nan 0.000 0.458 1121 Q N 0.000 119.875 119.800 0.125 0.000 2.315 1121 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 1121 Q CA 0.000 55.849 55.803 0.077 0.000 1.022 1121 Q CB 0.000 28.761 28.738 0.039 0.000 1.108 1121 Q HN 0.000 nan 8.270 nan 0.000 0.481