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 2pff_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDAYSTRPLT LSHGSLEHVL LVPTASFFIA SQLQEQFNKI LPEPTEGFAA DATA SEQUENCE DDEPTTPAEL VGKFLGYVSS LVEPSKVGQF DQVLNLCLTE FENCYLEGND DATA SEQUENCE IHALAAKLLQ ENDTTLVKTK ELIKNYITAR IMAKRPFDKK SNSALFRAVG DATA SEQUENCE EGNAQLVAIF GGQGNTDDYF EELRDLYQTY HVLVGDLIKF SAETLSELIR DATA SEQUENCE TTLDAEKVFT QGLNILEWLE NPSNTPDKDY LLSIPISCPL IGVIQLAHYV DATA SEQUENCE VTAKLLGFTP GELRSYLKGA TGHSQGLVTA VAIAETDSWE SFFVSVRKAI DATA SEQUENCE TVLFFIGVRC YEAYPNTSLP PSILEDSLEN NEGVPSPMLS ISNLTQEQVQ DATA SEQUENCE DYVNKTNSHL PAGKQVEISL VNGAKNLVVS GPPQSLYGLN LTLRKAKAPS DATA SEQUENCE GLDQSRIPFS ERKLKFSNRF LPVASPFHSH LLVPASDLIN KDLVKNNVSF DATA SEQUENCE NAKDIQIPVY DTFDGSDLRV LSGSISERIV DCIIRLPVKW ETTTQFKATH DATA SEQUENCE ILDFGPGGAS GLGVLTHRNK DGTGVRVIVA GTLDINPDDD YGFKQ????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXX????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ????????QG SQEQGMGMDL YKTSKAAQDV WNRADNHFKD DATA SEQUENCE TYGFSILDIV INNPVNLTIH FGGEKGKRIR ENYSAMIFET IVDGKLKTEK DATA SEQUENCE IFKEINEHST SYTFRSEKGL LSATQFTQPA LTLMEKAAFE DLKSKGLIPA DATA SEQUENCE DATFAGHSLG EYAALASLAD VMSIESLVEV VFYRGMTMQV AVPRDELGRS DATA SEQUENCE NYGMIAINPG RVAASFSQEA LQYVVERVGK RTGWLVEIVN YNVENQQYVA DATA SEQUENCE AGDLRALDTV TNVLNFIKLQ KIDIIELQKS LSLEEVEGHL F????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ?????????? ?????????? ?????????? ?????????? ?????????? DATA SEQUENCE ? 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 0.000 176.202 176.300 -0.164 0.000 1.140 1 M CA 0.000 55.069 55.300 -0.384 0.000 0.988 1 M CB 0.000 32.505 32.600 -0.158 0.000 1.302 2 D N 0.266 120.643 120.400 -0.040 0.000 2.484 2 D HA 0.473 5.112 4.640 -0.001 0.000 0.223 2 D C -0.803 175.552 176.300 0.092 0.000 1.350 2 D CA -0.309 53.707 54.000 0.027 0.000 0.940 2 D CB -0.740 40.085 40.800 0.042 0.000 1.525 2 D HN 0.741 nan 8.370 nan 0.000 0.504 3 A N 2.031 124.891 122.820 0.065 0.000 2.526 3 A HA 0.399 4.719 4.320 -0.001 0.000 0.267 3 A C 0.312 177.942 177.584 0.078 0.000 1.095 3 A CA -0.211 51.860 52.037 0.057 0.000 0.775 3 A CB -0.451 18.550 19.000 0.003 0.000 1.036 3 A HN 0.597 nan 8.150 nan 0.000 0.510 4 Y N 1.977 122.296 120.300 0.031 0.000 2.675 4 Y HA 0.539 5.089 4.550 -0.001 0.000 0.446 4 Y C 1.179 177.093 175.900 0.023 0.000 1.418 4 Y CA -0.474 57.643 58.100 0.029 0.000 1.932 4 Y CB -0.018 38.466 38.460 0.040 0.000 1.777 4 Y HN 0.965 nan 8.280 nan 0.000 0.650 5 S N -1.200 114.656 115.700 0.260 0.000 3.536 5 S HA -0.189 4.281 4.470 -0.001 0.000 0.281 5 S C 0.410 175.073 174.600 0.106 0.000 1.248 5 S CA 0.956 59.214 58.200 0.096 0.000 0.809 5 S CB -2.195 60.896 63.200 -0.183 0.000 0.997 5 S HN 1.488 nan 8.310 nan 0.000 0.641 6 T N -0.713 113.935 114.554 0.156 0.000 9.545 6 T HA -0.199 4.150 4.350 -0.001 0.000 0.344 6 T C -0.109 174.625 174.700 0.056 0.000 1.908 6 T CA 1.819 63.974 62.100 0.091 0.000 3.011 6 T CB -0.712 68.194 68.868 0.064 0.000 2.298 6 T HN 0.715 nan 8.240 nan 0.000 0.992 7 R N 2.118 122.642 120.500 0.041 0.000 2.343 7 R HA 0.524 4.864 4.340 -0.001 0.000 0.320 7 R C -2.873 173.440 176.300 0.022 0.000 0.956 7 R CA -2.540 53.568 56.100 0.014 0.000 0.836 7 R CB 0.647 30.939 30.300 -0.015 0.000 1.151 7 R HN 0.310 nan 8.270 nan 0.000 0.450 8 P HA 0.392 nan 4.420 nan 0.000 0.294 8 P C -0.789 176.517 177.300 0.011 0.000 1.294 8 P CA -0.621 62.496 63.100 0.028 0.000 0.827 8 P CB 1.850 33.569 31.700 0.032 0.000 0.992 9 L N 2.551 123.784 121.223 0.017 0.000 2.518 9 L HA 0.261 4.600 4.340 -0.001 0.000 0.262 9 L C -0.377 176.503 176.870 0.016 0.000 0.982 9 L CA -0.325 54.523 54.840 0.014 0.000 0.873 9 L CB 1.459 43.529 42.059 0.019 0.000 1.198 9 L HN 0.297 nan 8.230 nan 0.000 0.427 10 T N 5.228 119.789 114.554 0.011 0.000 2.933 10 T HA 0.143 4.493 4.350 -0.001 0.000 0.306 10 T C 0.309 175.006 174.700 -0.005 0.000 1.045 10 T CA 0.478 62.577 62.100 -0.002 0.000 1.143 10 T CB 0.119 68.990 68.868 0.006 0.000 1.003 10 T HN 0.424 nan 8.240 nan 0.000 0.540 11 L N 3.352 124.548 121.223 -0.045 0.000 2.556 11 L HA 0.250 4.590 4.340 -0.001 0.000 0.243 11 L C 0.764 177.586 176.870 -0.081 0.000 1.331 11 L CA -0.858 53.959 54.840 -0.039 0.000 0.927 11 L CB 0.461 42.501 42.059 -0.032 0.000 1.219 11 L HN 0.863 nan 8.230 nan 0.000 0.490 12 S N 0.116 115.791 115.700 -0.043 0.000 4.454 12 S HA -0.232 4.238 4.470 -0.001 0.000 0.400 12 S C 0.576 175.155 174.600 -0.036 0.000 0.563 12 S CA 0.027 58.211 58.200 -0.025 0.000 1.318 12 S CB -0.906 62.286 63.200 -0.013 0.000 1.958 12 S HN 0.490 nan 8.310 nan 0.000 0.349 13 H N 3.209 122.264 119.070 -0.026 0.000 3.238 13 H HA -0.040 4.516 4.556 -0.001 0.000 0.250 13 H C 1.789 177.054 175.328 -0.105 0.000 0.826 13 H CA 1.192 57.220 56.048 -0.033 0.000 1.409 13 H CB -0.281 29.469 29.762 -0.019 0.000 1.458 13 H HN 0.922 nan 8.280 nan 0.000 0.514 14 G N 2.975 111.742 108.800 -0.056 0.000 2.601 14 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.214 14 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.214 14 G C 0.409 175.077 174.900 -0.387 0.000 1.132 14 G CA 0.547 45.370 45.100 -0.461 0.000 0.761 14 G HN 0.648 nan 8.290 nan 0.000 0.550 15 S N -1.095 114.590 115.700 -0.025 0.000 3.388 15 S HA -0.172 4.298 4.470 -0.001 0.000 0.569 15 S C 1.060 175.728 174.600 0.112 0.000 0.676 15 S CA 0.453 58.669 58.200 0.028 0.000 1.373 15 S CB -1.085 62.104 63.200 -0.018 0.000 1.106 15 S HN 0.836 nan 8.310 nan 0.000 0.833 16 L N 0.777 122.063 121.223 0.105 0.000 4.065 16 L HA -0.417 3.923 4.340 -0.001 0.000 0.053 16 L C 2.065 179.010 176.870 0.124 0.000 4.034 16 L CA 2.177 57.075 54.840 0.097 0.000 0.961 16 L CB -1.269 40.829 42.059 0.065 0.000 3.355 16 L HN 0.716 nan 8.230 nan 0.000 0.893 17 E N -0.527 119.754 120.200 0.135 0.000 2.394 17 E HA -0.196 4.153 4.350 -0.001 0.000 0.202 17 E C 1.335 177.878 176.600 -0.095 0.000 1.029 17 E CA 1.907 58.313 56.400 0.011 0.000 0.855 17 E CB -0.143 29.526 29.700 -0.051 0.000 0.770 17 E HN 0.660 nan 8.360 nan 0.000 0.527 18 H N -1.568 117.504 119.070 0.003 0.000 2.332 18 H HA 0.156 4.712 4.556 -0.001 0.000 0.316 18 H C 1.789 177.120 175.328 0.004 0.000 1.069 18 H CA 0.534 56.580 56.048 -0.003 0.000 1.484 18 H CB -0.562 29.206 29.762 0.010 0.000 1.496 18 H HN -0.091 nan 8.280 nan 0.000 0.623 19 V N 1.613 121.646 119.914 0.198 0.000 3.025 19 V HA -0.209 3.911 4.120 -0.001 0.000 0.269 19 V C 1.871 178.013 176.094 0.081 0.000 1.159 19 V CA 1.389 63.773 62.300 0.139 0.000 1.171 19 V CB -0.841 31.087 31.823 0.175 0.000 0.762 19 V HN 0.210 nan 8.190 nan 0.000 0.530 20 L N -0.934 120.319 121.223 0.051 0.000 2.269 20 L HA 0.238 4.577 4.340 -0.001 0.000 0.200 20 L C 1.791 178.657 176.870 -0.007 0.000 1.069 20 L CA 1.472 56.322 54.840 0.017 0.000 0.804 20 L CB -0.074 41.989 42.059 0.007 0.000 0.987 20 L HN 0.203 nan 8.230 nan 0.000 0.468 21 L N -1.210 119.993 121.223 -0.032 0.000 2.627 21 L HA 0.052 4.392 4.340 -0.001 0.000 0.233 21 L C 1.683 178.499 176.870 -0.091 0.000 1.144 21 L CA -0.267 54.524 54.840 -0.081 0.000 0.892 21 L CB -0.165 41.813 42.059 -0.135 0.000 1.039 21 L HN 0.077 nan 8.230 nan 0.000 0.442 22 V N 0.595 120.496 119.914 -0.022 0.000 2.403 22 V HA -0.008 4.112 4.120 -0.001 0.000 0.239 22 V C -0.286 175.837 176.094 0.049 0.000 1.041 22 V CA 1.070 63.375 62.300 0.008 0.000 1.051 22 V CB -1.141 30.710 31.823 0.047 0.000 0.704 22 V HN 0.312 nan 8.190 nan 0.000 0.472 23 P HA -0.160 nan 4.420 nan 0.000 0.222 23 P C 1.318 178.672 177.300 0.090 0.000 1.142 23 P CA 1.424 64.573 63.100 0.081 0.000 0.788 23 P CB -0.334 31.392 31.700 0.043 0.000 0.767 24 T N -0.982 113.603 114.554 0.051 0.000 3.051 24 T HA 0.052 4.401 4.350 -0.001 0.000 0.269 24 T C 1.787 176.637 174.700 0.250 0.000 1.127 24 T CA 1.354 63.479 62.100 0.042 0.000 1.107 24 T CB -0.195 68.700 68.868 0.046 0.000 0.898 24 T HN 0.196 nan 8.240 nan 0.000 0.517 25 A N 0.089 123.072 122.820 0.272 0.000 2.127 25 A HA 0.346 4.665 4.320 -0.001 0.000 0.204 25 A C 2.280 180.113 177.584 0.415 0.000 1.243 25 A CA 0.675 52.988 52.037 0.459 0.000 0.887 25 A CB -0.454 18.694 19.000 0.247 0.000 0.933 25 A HN 0.342 nan 8.150 nan 0.000 0.479 26 S N -1.156 114.715 115.700 0.285 0.000 2.368 26 S HA -0.122 4.347 4.470 -0.001 0.000 0.225 26 S C 1.607 176.434 174.600 0.378 0.000 1.030 26 S CA 1.836 60.209 58.200 0.288 0.000 0.999 26 S CB -0.390 62.940 63.200 0.217 0.000 0.844 26 S HN 0.515 nan 8.310 nan 0.000 0.459 27 F N 0.277 120.324 119.950 0.163 0.000 2.446 27 F HA 0.390 4.916 4.527 -0.001 0.000 0.292 27 F C 1.653 177.596 175.800 0.237 0.000 1.096 27 F CA 0.154 58.243 58.000 0.148 0.000 1.438 27 F CB -0.386 38.632 39.000 0.030 0.000 1.107 27 F HN 0.255 nan 8.300 nan 0.000 0.546 28 F N -0.639 119.433 119.950 0.203 0.000 2.216 28 F HA -0.235 4.292 4.527 -0.001 0.000 0.300 28 F C 2.358 178.008 175.800 -0.249 0.000 1.085 28 F CA 0.223 58.239 58.000 0.028 0.000 1.326 28 F CB -0.016 39.159 39.000 0.292 0.000 1.027 28 F HN -0.045 nan 8.300 nan 0.000 0.497 29 I N 0.290 120.950 120.570 0.150 0.000 2.617 29 I HA -0.085 4.084 4.170 -0.001 0.000 0.256 29 I C 2.171 178.252 176.117 -0.060 0.000 1.167 29 I CA 0.907 62.194 61.300 -0.023 0.000 1.469 29 I CB -0.869 37.245 38.000 0.191 0.000 1.098 29 I HN -0.059 nan 8.210 nan 0.000 0.436 30 A N 0.570 123.414 122.820 0.039 0.000 2.250 30 A HA -0.025 4.295 4.320 -0.001 0.000 0.208 30 A C 1.239 178.708 177.584 -0.191 0.000 1.254 30 A CA 0.397 52.466 52.037 0.054 0.000 0.858 30 A CB -1.011 17.991 19.000 0.003 0.000 0.820 30 A HN 0.426 nan 8.150 nan 0.000 0.484 31 S N 0.611 116.192 115.700 -0.198 0.000 3.361 31 S HA -0.126 4.343 4.470 -0.001 0.000 0.396 31 S C 1.380 175.875 174.600 -0.175 0.000 1.165 31 S CA 0.619 58.686 58.200 -0.221 0.000 1.192 31 S CB -0.484 62.550 63.200 -0.277 0.000 0.843 31 S HN 0.699 nan 8.310 nan 0.000 0.528 32 Q N 3.439 123.129 119.800 -0.184 0.000 2.274 32 Q HA -0.266 4.074 4.340 -0.001 0.000 0.220 32 Q C 1.439 177.364 176.000 -0.125 0.000 1.043 32 Q CA 2.366 58.088 55.803 -0.136 0.000 0.964 32 Q CB -0.628 28.043 28.738 -0.113 0.000 1.051 32 Q HN 0.832 nan 8.270 nan 0.000 0.425 33 L N 0.703 121.830 121.223 -0.160 0.000 2.693 33 L HA -0.083 4.256 4.340 -0.001 0.000 0.242 33 L C 1.562 178.385 176.870 -0.079 0.000 1.157 33 L CA -0.019 54.677 54.840 -0.239 0.000 0.929 33 L CB -0.107 41.784 42.059 -0.280 0.000 1.103 33 L HN 0.245 nan 8.230 nan 0.000 0.430 34 Q N -0.777 119.013 119.800 -0.017 0.000 2.431 34 Q HA 0.041 4.380 4.340 -0.001 0.000 0.244 34 Q C 1.660 177.717 176.000 0.096 0.000 0.880 34 Q CA 0.550 56.380 55.803 0.045 0.000 0.954 34 Q CB 0.292 28.986 28.738 -0.072 0.000 1.105 34 Q HN 0.488 nan 8.270 nan 0.000 0.558 35 E N 0.965 121.224 120.200 0.099 0.000 2.112 35 E HA -0.058 4.291 4.350 -0.001 0.000 0.190 35 E C 1.754 178.419 176.600 0.108 0.000 0.979 35 E CA 0.523 57.011 56.400 0.146 0.000 0.814 35 E CB 0.200 29.971 29.700 0.119 0.000 0.762 35 E HN 0.302 nan 8.360 nan 0.000 0.460 36 Q N -0.553 119.280 119.800 0.056 0.000 2.424 36 Q HA 0.077 4.416 4.340 -0.001 0.000 0.204 36 Q C 0.986 177.089 176.000 0.171 0.000 0.933 36 Q CA 0.332 56.163 55.803 0.047 0.000 0.929 36 Q CB 0.334 29.039 28.738 -0.056 0.000 1.037 36 Q HN 0.300 nan 8.270 nan 0.000 0.511 37 F N 0.438 120.397 119.950 0.016 0.000 2.664 37 F HA 0.054 4.581 4.527 -0.001 0.000 0.303 37 F C 1.268 177.076 175.800 0.013 0.000 1.092 37 F CA -0.308 57.703 58.000 0.019 0.000 1.305 37 F CB 0.508 39.514 39.000 0.010 0.000 1.054 37 F HN 0.214 nan 8.300 nan 0.000 0.565 38 N N -0.500 118.320 118.700 0.200 0.000 2.257 38 N HA -0.026 4.714 4.740 -0.001 0.000 0.200 38 N C 1.001 176.575 175.510 0.107 0.000 1.163 38 N CA 0.215 53.337 53.050 0.120 0.000 0.891 38 N CB -0.139 38.426 38.487 0.130 0.000 1.067 38 N HN -0.059 nan 8.380 nan 0.000 0.497 39 K N 0.165 120.636 120.400 0.119 0.000 2.361 39 K HA 0.293 4.613 4.320 -0.001 0.000 0.196 39 K C 0.576 177.228 176.600 0.086 0.000 1.039 39 K CA 0.396 56.737 56.287 0.090 0.000 1.001 39 K CB 0.164 32.712 32.500 0.080 0.000 0.795 39 K HN 0.276 nan 8.250 nan 0.000 0.495 40 I N 1.538 122.177 120.570 0.115 0.000 3.806 40 I HA -0.017 4.153 4.170 -0.001 0.000 0.321 40 I C 0.827 176.977 176.117 0.055 0.000 1.315 40 I CA 0.413 61.771 61.300 0.097 0.000 1.148 40 I CB 0.191 38.283 38.000 0.154 0.000 1.028 40 I HN 0.075 nan 8.210 nan 0.000 0.415 41 L N 0.164 121.417 121.223 0.049 0.000 3.076 41 L HA 0.209 4.548 4.340 -0.001 0.000 0.271 41 L C -0.909 175.976 176.870 0.025 0.000 1.152 41 L CA 0.012 54.867 54.840 0.025 0.000 0.996 41 L CB -1.111 40.956 42.059 0.013 0.000 1.453 41 L HN 0.008 nan 8.230 nan 0.000 0.571 42 P HA -0.072 nan 4.420 nan 0.000 0.223 42 P C 0.759 178.072 177.300 0.023 0.000 1.151 42 P CA 1.403 64.521 63.100 0.030 0.000 0.787 42 P CB 0.634 32.356 31.700 0.037 0.000 0.788 43 E N -0.586 119.628 120.200 0.023 0.000 2.538 43 E HA 0.130 4.480 4.350 -0.001 0.000 0.188 43 E C -1.543 175.066 176.600 0.015 0.000 1.014 43 E CA -0.016 56.395 56.400 0.018 0.000 1.140 43 E CB -0.790 28.922 29.700 0.020 0.000 1.262 43 E HN 0.202 nan 8.360 nan 0.000 0.488 44 P HA 0.107 nan 4.420 nan 0.000 0.225 44 P C -1.269 176.036 177.300 0.008 0.000 1.768 44 P CA 0.258 63.366 63.100 0.015 0.000 0.943 44 P CB -0.351 31.362 31.700 0.021 0.000 1.936 45 T N 2.692 117.248 114.554 0.004 0.000 2.327 45 T HA -0.177 4.172 4.350 -0.001 0.000 0.180 45 T C 0.644 175.333 174.700 -0.018 0.000 1.142 45 T CA 0.871 62.968 62.100 -0.005 0.000 3.262 45 T CB -0.994 67.870 68.868 -0.007 0.000 0.793 45 T HN 0.388 nan 8.240 nan 0.000 0.301 46 E N 0.335 120.519 120.200 -0.027 0.000 2.320 46 E HA -0.202 4.148 4.350 -0.001 0.000 0.234 46 E C 1.301 177.861 176.600 -0.066 0.000 1.183 46 E CA 0.919 57.282 56.400 -0.061 0.000 0.713 46 E CB -1.657 27.999 29.700 -0.074 0.000 1.226 46 E HN 0.824 nan 8.360 nan 0.000 0.382 47 G N -0.767 108.011 108.800 -0.036 0.000 2.732 47 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.222 47 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.222 47 G C 0.558 175.482 174.900 0.039 0.000 1.203 47 G CA 1.465 46.564 45.100 -0.002 0.000 0.780 47 G HN 0.342 nan 8.290 nan 0.000 0.621 48 F N -1.432 118.311 119.950 -0.345 0.000 3.084 48 F HA 0.610 5.137 4.527 -0.001 0.000 0.336 48 F C 0.079 175.538 175.800 -0.568 0.000 1.230 48 F CA -0.585 57.158 58.000 -0.428 0.000 0.993 48 F CB 0.639 39.356 39.000 -0.472 0.000 1.496 48 F HN 0.558 nan 8.300 nan 0.000 0.522 49 A N 2.121 124.432 122.820 -0.848 0.000 1.539 49 A HA 0.332 4.652 4.320 -0.001 0.000 0.299 49 A C 0.506 177.873 177.584 -0.361 0.000 1.101 49 A CA 1.133 52.832 52.037 -0.563 0.000 1.285 49 A CB -2.069 16.774 19.000 -0.260 0.000 0.879 49 A HN 2.653 nan 8.150 nan 0.000 0.199 50 A N 2.226 124.856 122.820 -0.317 0.000 6.643 50 A HA 0.107 4.426 4.320 -0.001 0.000 0.230 50 A C 1.196 178.671 177.584 -0.182 0.000 2.273 50 A CA 1.410 53.323 52.037 -0.206 0.000 0.690 50 A CB -1.321 17.595 19.000 -0.139 0.000 0.908 50 A HN 2.441 nan 8.150 nan 0.000 0.366 51 D N -1.696 118.623 120.400 -0.135 0.000 2.332 51 D HA -0.297 4.343 4.640 -0.001 0.000 0.166 51 D C 1.046 177.289 176.300 -0.096 0.000 1.574 51 D CA 2.400 56.336 54.000 -0.107 0.000 1.598 51 D CB -1.661 39.081 40.800 -0.097 0.000 1.354 51 D HN 1.157 nan 8.370 nan 0.000 0.481 52 D N 1.530 121.860 120.400 -0.117 0.000 2.653 52 D HA -0.261 4.379 4.640 -0.001 0.000 0.199 52 D C 0.897 177.155 176.300 -0.070 0.000 1.042 52 D CA 2.080 56.022 54.000 -0.097 0.000 0.876 52 D CB -0.617 40.115 40.800 -0.113 0.000 1.010 52 D HN 0.606 nan 8.370 nan 0.000 0.473 53 E N 1.103 121.263 120.200 -0.066 0.000 2.231 53 E HA 0.184 4.534 4.350 -0.001 0.000 0.277 53 E C -2.003 174.560 176.600 -0.062 0.000 0.999 53 E CA -1.974 54.392 56.400 -0.056 0.000 0.827 53 E CB 2.235 31.912 29.700 -0.038 0.000 1.101 53 E HN -0.172 nan 8.360 nan 0.000 0.393 54 P HA -0.167 nan 4.420 nan 0.000 0.217 54 P C 0.387 177.650 177.300 -0.061 0.000 1.151 54 P CA 1.546 64.604 63.100 -0.070 0.000 0.849 54 P CB 0.232 31.877 31.700 -0.093 0.000 0.787 55 T N -2.567 111.950 114.554 -0.062 0.000 3.163 55 T HA 0.059 4.408 4.350 -0.001 0.000 0.252 55 T C 1.201 175.909 174.700 0.014 0.000 1.056 55 T CA 0.524 62.620 62.100 -0.006 0.000 0.947 55 T CB -0.627 68.249 68.868 0.014 0.000 1.016 55 T HN 0.102 nan 8.240 nan 0.000 0.554 56 T N 2.654 117.191 114.554 -0.029 0.000 3.085 56 T HA 0.021 4.371 4.350 -0.001 0.000 0.263 56 T C -1.013 173.638 174.700 -0.081 0.000 1.127 56 T CA 0.299 62.365 62.100 -0.056 0.000 1.103 56 T CB -0.634 68.191 68.868 -0.072 0.000 0.921 56 T HN 0.336 nan 8.240 nan 0.000 0.510 57 P HA 0.017 nan 4.420 nan 0.000 0.215 57 P C 1.601 178.856 177.300 -0.075 0.000 1.157 57 P CA 0.902 63.956 63.100 -0.077 0.000 0.863 57 P CB -0.166 31.494 31.700 -0.066 0.000 0.787 58 A N -0.182 122.595 122.820 -0.073 0.000 2.159 58 A HA -0.269 4.050 4.320 -0.001 0.000 0.222 58 A C 1.945 179.389 177.584 -0.234 0.000 1.163 58 A CA 1.612 53.577 52.037 -0.121 0.000 0.664 58 A CB -0.920 18.022 19.000 -0.096 0.000 0.803 58 A HN 0.148 nan 8.150 nan 0.000 0.470 59 E N -0.159 119.917 120.200 -0.205 0.000 1.987 59 E HA -0.146 4.204 4.350 -0.001 0.000 0.200 59 E C 1.930 178.477 176.600 -0.088 0.000 0.990 59 E CA 1.144 57.433 56.400 -0.185 0.000 0.859 59 E CB -0.873 28.748 29.700 -0.131 0.000 0.805 59 E HN 0.451 nan 8.360 nan 0.000 0.499 60 L N 1.049 122.245 121.223 -0.044 0.000 2.089 60 L HA -0.205 4.134 4.340 -0.001 0.000 0.213 60 L C 2.575 179.521 176.870 0.127 0.000 1.079 60 L CA 1.181 56.040 54.840 0.032 0.000 0.758 60 L CB -1.046 41.018 42.059 0.009 0.000 0.891 60 L HN 0.015 nan 8.230 nan 0.000 0.433 61 V N -0.370 119.600 119.914 0.092 0.000 2.237 61 V HA -0.186 3.934 4.120 -0.001 0.000 0.245 61 V C 2.254 178.404 176.094 0.093 0.000 1.046 61 V CA 1.921 64.322 62.300 0.168 0.000 1.007 61 V CB -1.480 30.402 31.823 0.098 0.000 0.638 61 V HN 0.546 nan 8.190 nan 0.000 0.445 62 G N -0.884 107.922 108.800 0.010 0.000 3.094 62 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.208 62 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.208 62 G C 1.202 176.094 174.900 -0.014 0.000 1.189 62 G CA 0.692 45.779 45.100 -0.023 0.000 0.856 62 G HN 0.536 nan 8.290 nan 0.000 0.510 63 K N -0.697 119.722 120.400 0.032 0.000 2.469 63 K HA 0.133 4.452 4.320 -0.001 0.000 0.228 63 K C 1.926 178.599 176.600 0.122 0.000 1.266 63 K CA -0.106 56.216 56.287 0.059 0.000 0.775 63 K CB -0.422 32.108 32.500 0.048 0.000 1.582 63 K HN 0.011 nan 8.250 nan 0.000 0.415 64 F N 3.228 123.215 119.950 0.061 0.000 2.085 64 F HA -0.265 4.262 4.527 -0.001 0.000 0.299 64 F C 1.625 177.522 175.800 0.162 0.000 1.096 64 F CA 1.813 59.871 58.000 0.097 0.000 1.227 64 F CB -0.695 38.344 39.000 0.065 0.000 0.983 64 F HN 0.117 nan 8.300 nan 0.000 0.482 65 L N 0.367 121.268 121.223 -0.538 0.000 2.056 65 L HA -0.054 4.286 4.340 -0.001 0.000 0.207 65 L C 2.751 179.556 176.870 -0.107 0.000 1.078 65 L CA 1.231 55.784 54.840 -0.479 0.000 0.749 65 L CB -1.544 40.361 42.059 -0.257 0.000 0.901 65 L HN 0.384 nan 8.230 nan 0.000 0.433 66 G N -2.065 106.718 108.800 -0.028 0.000 2.807 66 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.207 66 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.207 66 G C 0.996 175.948 174.900 0.086 0.000 1.151 66 G CA 0.406 45.522 45.100 0.027 0.000 0.800 66 G HN 0.341 nan 8.290 nan 0.000 0.523 67 Y N -0.692 119.561 120.300 -0.078 0.000 2.886 67 Y HA 0.199 4.749 4.550 -0.001 0.000 0.244 67 Y C 2.107 177.934 175.900 -0.121 0.000 1.017 67 Y CA 0.060 58.116 58.100 -0.073 0.000 1.389 67 Y CB 0.214 38.657 38.460 -0.028 0.000 1.477 67 Y HN -0.068 nan 8.280 nan 0.000 0.466 68 V N 2.739 122.519 119.914 -0.223 0.000 3.440 68 V HA -0.146 3.974 4.120 -0.001 0.000 0.274 68 V C 1.540 177.276 176.094 -0.596 0.000 1.207 68 V CA 1.050 63.103 62.300 -0.411 0.000 1.183 68 V CB -2.152 29.523 31.823 -0.247 0.000 0.837 68 V HN 0.539 nan 8.190 nan 0.000 0.532 69 S N 1.622 117.113 115.700 -0.348 0.000 2.465 69 S HA -0.139 4.331 4.470 -0.001 0.000 0.215 69 S C 2.130 176.604 174.600 -0.211 0.000 1.438 69 S CA 0.737 58.854 58.200 -0.139 0.000 1.223 69 S CB -0.812 62.383 63.200 -0.007 0.000 0.636 69 S HN 0.627 nan 8.310 nan 0.000 0.421 70 S N 1.022 116.678 115.700 -0.073 0.000 2.420 70 S HA -0.105 4.364 4.470 -0.001 0.000 0.237 70 S C 1.363 175.875 174.600 -0.147 0.000 1.023 70 S CA 1.291 59.447 58.200 -0.074 0.000 0.991 70 S CB -1.355 61.825 63.200 -0.034 0.000 0.792 70 S HN 0.927 nan 8.310 nan 0.000 0.488 71 L N -0.081 121.009 121.223 -0.223 0.000 4.179 71 L HA -0.179 4.161 4.340 -0.001 0.000 0.418 71 L C -0.499 176.279 176.870 -0.154 0.000 1.168 71 L CA 0.402 55.084 54.840 -0.263 0.000 0.972 71 L CB -2.156 39.735 42.059 -0.279 0.000 2.005 71 L HN 0.622 nan 8.230 nan 0.000 0.935 72 V N -6.472 113.379 119.914 -0.106 0.000 2.848 72 V HA 0.116 4.235 4.120 -0.001 0.000 0.252 72 V C 0.892 176.962 176.094 -0.040 0.000 1.760 72 V CA -0.856 61.408 62.300 -0.060 0.000 0.901 72 V CB 1.301 33.095 31.823 -0.048 0.000 1.324 72 V HN 0.086 nan 8.190 nan 0.000 0.464 73 E N 0.869 121.055 120.200 -0.023 0.000 2.153 73 E HA -0.056 4.294 4.350 -0.001 0.000 0.194 73 E C -1.345 175.248 176.600 -0.012 0.000 0.988 73 E CA 1.481 57.873 56.400 -0.014 0.000 0.811 73 E CB -0.557 29.140 29.700 -0.004 0.000 0.746 73 E HN 0.722 nan 8.360 nan 0.000 0.466 74 P HA -0.018 nan 4.420 nan 0.000 0.238 74 P C -0.701 176.592 177.300 -0.010 0.000 1.729 74 P CA 0.154 63.249 63.100 -0.009 0.000 1.055 74 P CB -0.478 31.217 31.700 -0.008 0.000 1.980 75 S N 1.415 117.110 115.700 -0.007 0.000 4.620 75 S HA -0.267 4.203 4.470 -0.001 0.000 0.552 75 S C 0.771 175.371 174.600 0.001 0.000 0.994 75 S CA 0.126 58.325 58.200 -0.001 0.000 0.991 75 S CB -0.149 63.053 63.200 0.003 0.000 1.522 75 S HN 0.429 nan 8.310 nan 0.000 0.402 76 K N 3.370 123.773 120.400 0.004 0.000 2.790 76 K HA 0.364 4.684 4.320 -0.001 0.000 0.229 76 K C -0.027 176.598 176.600 0.040 0.000 1.040 76 K CA 0.154 56.444 56.287 0.006 0.000 1.211 76 K CB -0.910 31.578 32.500 -0.021 0.000 1.002 76 K HN 0.794 nan 8.250 nan 0.000 0.479 77 V N -1.726 118.206 119.914 0.030 0.000 3.665 77 V HA -0.258 3.862 4.120 -0.001 0.000 0.523 77 V C 1.641 177.759 176.094 0.039 0.000 0.682 77 V CA 0.625 62.942 62.300 0.029 0.000 2.080 77 V CB -1.317 30.523 31.823 0.028 0.000 2.492 77 V HN 0.565 nan 8.190 nan 0.000 0.514 78 G N 0.253 109.059 108.800 0.009 0.000 2.661 78 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.224 78 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.224 78 G C 1.026 175.912 174.900 -0.025 0.000 1.114 78 G CA 1.759 46.848 45.100 -0.018 0.000 0.751 78 G HN 0.953 nan 8.290 nan 0.000 0.609 79 Q N -0.081 119.733 119.800 0.023 0.000 1.992 79 Q HA -0.205 4.135 4.340 -0.001 0.000 0.216 79 Q C 0.911 176.832 176.000 -0.132 0.000 1.047 79 Q CA 1.587 57.416 55.803 0.042 0.000 0.899 79 Q CB -0.562 28.383 28.738 0.346 0.000 1.021 79 Q HN 0.582 nan 8.270 nan 0.000 0.421 80 F N -0.900 119.023 119.950 -0.045 0.000 2.542 80 F HA 0.255 4.781 4.527 -0.001 0.000 0.323 80 F C 0.047 175.811 175.800 -0.060 0.000 1.411 80 F CA -0.502 57.460 58.000 -0.063 0.000 1.124 80 F CB 0.637 39.583 39.000 -0.091 0.000 1.331 80 F HN 0.048 nan 8.300 nan 0.000 0.560 81 D N -0.492 119.950 120.400 0.069 0.000 2.530 81 D HA 0.007 4.647 4.640 -0.001 0.000 0.290 81 D C 1.184 177.488 176.300 0.006 0.000 1.398 81 D CA 0.380 54.401 54.000 0.036 0.000 0.848 81 D CB 0.530 41.349 40.800 0.032 0.000 1.279 81 D HN 0.236 nan 8.370 nan 0.000 0.483 82 Q N -0.411 119.380 119.800 -0.015 0.000 2.399 82 Q HA 0.047 4.387 4.340 -0.001 0.000 0.205 82 Q C 1.006 176.989 176.000 -0.029 0.000 0.733 82 Q CA 0.508 56.299 55.803 -0.020 0.000 0.916 82 Q CB 0.188 28.904 28.738 -0.036 0.000 1.299 82 Q HN 0.076 nan 8.270 nan 0.000 0.455 83 V N 2.513 122.380 119.914 -0.079 0.000 2.568 83 V HA -0.218 3.902 4.120 -0.001 0.000 0.253 83 V C 2.482 178.545 176.094 -0.052 0.000 1.072 83 V CA 1.859 64.104 62.300 -0.092 0.000 1.084 83 V CB -0.675 31.018 31.823 -0.217 0.000 0.676 83 V HN 0.305 nan 8.190 nan 0.000 0.469 84 L N -0.032 121.163 121.223 -0.047 0.000 2.240 84 L HA 0.014 4.353 4.340 -0.001 0.000 0.211 84 L C 2.001 178.879 176.870 0.014 0.000 1.106 84 L CA 1.708 56.539 54.840 -0.015 0.000 0.793 84 L CB -0.700 41.361 42.059 0.002 0.000 0.927 84 L HN 0.252 nan 8.230 nan 0.000 0.446 85 N N -0.689 118.023 118.700 0.019 0.000 2.376 85 N HA -0.088 4.652 4.740 -0.001 0.000 0.177 85 N C 1.800 177.344 175.510 0.058 0.000 1.024 85 N CA 0.862 53.933 53.050 0.035 0.000 0.893 85 N CB 0.128 38.630 38.487 0.026 0.000 0.980 85 N HN 0.314 nan 8.380 nan 0.000 0.439 86 L N 1.428 122.692 121.223 0.068 0.000 2.079 86 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 86 L C 2.481 179.399 176.870 0.080 0.000 1.081 86 L CA 1.648 56.541 54.840 0.089 0.000 0.752 86 L CB -0.535 41.610 42.059 0.145 0.000 0.896 86 L HN 0.291 nan 8.230 nan 0.000 0.433 87 C N -3.352 115.995 119.300 0.079 0.000 2.519 87 C HA 0.133 4.592 4.460 -0.001 0.000 0.281 87 C C 2.433 177.514 174.990 0.151 0.000 1.331 87 C CA -0.322 58.755 59.018 0.098 0.000 1.725 87 C CB -1.314 26.471 27.740 0.074 0.000 2.079 87 C HN 0.469 nan 8.230 nan 0.000 0.496 88 L N 2.275 123.577 121.223 0.132 0.000 1.976 88 L HA -0.211 4.128 4.340 -0.001 0.000 0.223 88 L C 2.888 179.910 176.870 0.253 0.000 1.081 88 L CA 2.708 57.657 54.840 0.182 0.000 0.784 88 L CB -1.313 40.800 42.059 0.091 0.000 0.896 88 L HN 0.386 nan 8.230 nan 0.000 0.438 89 T N -1.681 112.971 114.554 0.162 0.000 2.821 89 T HA -0.208 4.142 4.350 -0.001 0.000 0.267 89 T C 1.701 176.481 174.700 0.133 0.000 1.046 89 T CA 1.200 63.382 62.100 0.137 0.000 1.139 89 T CB -0.225 68.695 68.868 0.085 0.000 0.871 89 T HN 0.364 nan 8.240 nan 0.000 0.454 90 E N 0.978 121.260 120.200 0.136 0.000 2.187 90 E HA -0.194 4.156 4.350 -0.001 0.000 0.199 90 E C 1.658 178.364 176.600 0.177 0.000 1.004 90 E CA 1.252 57.726 56.400 0.124 0.000 0.813 90 E CB -0.544 29.224 29.700 0.113 0.000 0.736 90 E HN 0.537 nan 8.360 nan 0.000 0.468 91 F N 1.188 121.191 119.950 0.088 0.000 2.187 91 F HA 0.147 4.674 4.527 -0.001 0.000 0.295 91 F C 1.894 177.749 175.800 0.092 0.000 1.091 91 F CA 1.398 59.456 58.000 0.098 0.000 1.308 91 F CB -0.399 38.692 39.000 0.152 0.000 1.030 91 F HN 0.069 nan 8.300 nan 0.000 0.487 92 E N 0.238 120.400 120.200 -0.063 0.000 2.533 92 E HA -0.137 4.213 4.350 -0.001 0.000 0.203 92 E C -0.258 176.244 176.600 -0.163 0.000 1.101 92 E CA 0.370 56.661 56.400 -0.183 0.000 0.894 92 E CB -0.472 29.256 29.700 0.047 0.000 0.843 92 E HN 0.396 nan 8.360 nan 0.000 0.552 93 N N -0.380 118.243 118.700 -0.129 0.000 2.646 93 N HA 0.080 4.820 4.740 -0.001 0.000 0.303 93 N C -0.156 175.327 175.510 -0.045 0.000 1.921 93 N CA 0.098 53.108 53.050 -0.068 0.000 0.872 93 N CB 0.776 39.255 38.487 -0.014 0.000 1.327 93 N HN 0.217 nan 8.380 nan 0.000 0.492 94 C N -2.071 117.176 119.300 -0.088 0.000 2.794 94 C HA 0.401 4.860 4.460 -0.001 0.000 0.443 94 C C 0.616 175.676 174.990 0.117 0.000 1.484 94 C CA -0.065 58.955 59.018 0.004 0.000 2.501 94 C CB 0.245 28.004 27.740 0.032 0.000 2.715 94 C HN 0.287 nan 8.230 nan 0.000 0.570 95 Y N 2.243 122.427 120.300 -0.193 0.000 2.892 95 Y HA 0.487 5.036 4.550 -0.001 0.000 0.242 95 Y C 0.788 176.565 175.900 -0.205 0.000 1.080 95 Y CA -0.622 57.389 58.100 -0.148 0.000 1.147 95 Y CB 0.167 38.579 38.460 -0.080 0.000 1.229 95 Y HN 0.521 nan 8.280 nan 0.000 0.633 96 L N -3.101 117.988 121.223 -0.223 0.000 2.688 96 L HA 0.470 4.809 4.340 -0.001 0.000 0.216 96 L C 0.113 176.859 176.870 -0.206 0.000 1.036 96 L CA -0.229 54.449 54.840 -0.270 0.000 0.906 96 L CB -0.177 41.626 42.059 -0.426 0.000 1.501 96 L HN -0.093 nan 8.230 nan 0.000 0.489 97 E N 2.330 122.422 120.200 -0.180 0.000 2.273 97 E HA -0.086 4.264 4.350 -0.001 0.000 0.177 97 E C 0.947 177.491 176.600 -0.094 0.000 1.511 97 E CA 0.402 56.734 56.400 -0.115 0.000 0.675 97 E CB -1.937 27.703 29.700 -0.101 0.000 1.094 97 E HN 0.797 nan 8.360 nan 0.000 0.348 98 G N 2.141 110.892 108.800 -0.082 0.000 2.596 98 G HA2 -0.564 3.395 3.960 -0.001 0.000 0.304 98 G HA3 -0.564 3.395 3.960 -0.001 0.000 0.304 98 G C 0.727 175.584 174.900 -0.071 0.000 1.189 98 G CA 1.128 46.203 45.100 -0.042 0.000 0.986 98 G HN 1.009 nan 8.290 nan 0.000 0.548 99 N N -0.669 117.997 118.700 -0.056 0.000 2.908 99 N HA -0.347 4.393 4.740 -0.001 0.000 0.227 99 N C 0.085 175.561 175.510 -0.056 0.000 0.834 99 N CA 2.416 55.425 53.050 -0.069 0.000 1.118 99 N CB -0.506 37.917 38.487 -0.106 0.000 1.008 99 N HN 1.813 nan 8.380 nan 0.000 0.623 100 D N -1.348 119.022 120.400 -0.050 0.000 10.353 100 D HA -0.130 4.509 4.640 -0.001 0.000 0.299 100 D C 0.792 177.068 176.300 -0.040 0.000 2.968 100 D CA 0.539 54.530 54.000 -0.016 0.000 2.730 100 D CB -0.566 40.245 40.800 0.018 0.000 1.136 100 D HN 0.124 nan 8.370 nan 0.000 0.868 101 I N 3.808 124.330 120.570 -0.081 0.000 2.151 101 I HA -0.252 3.917 4.170 -0.001 0.000 0.243 101 I C 2.363 178.532 176.117 0.086 0.000 1.080 101 I CA 1.623 62.872 61.300 -0.085 0.000 1.339 101 I CB -1.108 36.802 38.000 -0.151 0.000 1.039 101 I HN 0.606 nan 8.210 nan 0.000 0.409 102 H N -0.054 119.042 119.070 0.044 0.000 2.466 102 H HA -0.201 4.354 4.556 -0.001 0.000 0.297 102 H C 1.995 177.364 175.328 0.067 0.000 1.113 102 H CA 1.408 57.510 56.048 0.089 0.000 1.273 102 H CB 0.408 30.237 29.762 0.112 0.000 1.371 102 H HN 0.388 nan 8.280 nan 0.000 0.528 103 A N 0.457 123.337 122.820 0.099 0.000 1.984 103 A HA -0.043 4.276 4.320 -0.001 0.000 0.214 103 A C 2.157 179.701 177.584 -0.067 0.000 1.173 103 A CA 0.302 52.331 52.037 -0.014 0.000 0.673 103 A CB -0.242 18.722 19.000 -0.059 0.000 0.830 103 A HN 0.289 nan 8.150 nan 0.000 0.453 104 L N -0.266 120.928 121.223 -0.048 0.000 2.551 104 L HA 0.131 4.471 4.340 -0.001 0.000 0.228 104 L C 2.239 179.107 176.870 -0.004 0.000 1.153 104 L CA 1.309 56.122 54.840 -0.044 0.000 0.851 104 L CB -0.685 41.357 42.059 -0.029 0.000 0.959 104 L HN 0.317 nan 8.230 nan 0.000 0.451 105 A N -0.446 122.372 122.820 -0.004 0.000 1.929 105 A HA 0.024 4.343 4.320 -0.001 0.000 0.216 105 A C 2.467 180.052 177.584 0.001 0.000 1.176 105 A CA 1.245 53.281 52.037 -0.001 0.000 0.628 105 A CB -0.852 18.132 19.000 -0.027 0.000 0.816 105 A HN 0.502 nan 8.150 nan 0.000 0.444 106 A N 0.197 123.000 122.820 -0.029 0.000 1.933 106 A HA -0.141 4.179 4.320 -0.001 0.000 0.218 106 A C 1.782 179.325 177.584 -0.068 0.000 1.175 106 A CA 1.517 53.503 52.037 -0.085 0.000 0.628 106 A CB -0.435 18.381 19.000 -0.307 0.000 0.814 106 A HN 0.484 nan 8.150 nan 0.000 0.444 107 K N -0.777 119.589 120.400 -0.055 0.000 2.773 107 K HA 0.239 4.558 4.320 -0.001 0.000 0.222 107 K C 0.344 176.969 176.600 0.041 0.000 0.985 107 K CA 0.242 56.525 56.287 -0.007 0.000 1.126 107 K CB -0.202 32.304 32.500 0.011 0.000 0.919 107 K HN 0.496 nan 8.250 nan 0.000 0.487 108 L N -1.554 119.677 121.223 0.014 0.000 2.567 108 L HA 0.054 4.394 4.340 -0.001 0.000 0.228 108 L C 1.589 178.460 176.870 0.002 0.000 1.046 108 L CA 0.026 54.873 54.840 0.012 0.000 1.013 108 L CB -0.034 42.029 42.059 0.006 0.000 1.944 108 L HN 0.066 nan 8.230 nan 0.000 0.510 109 L N 0.118 121.344 121.223 0.004 0.000 2.129 109 L HA -0.269 4.070 4.340 -0.001 0.000 0.212 109 L C 2.148 179.021 176.870 0.004 0.000 1.087 109 L CA 1.842 56.688 54.840 0.010 0.000 0.757 109 L CB 0.068 42.147 42.059 0.034 0.000 0.896 109 L HN 0.457 nan 8.230 nan 0.000 0.434 110 Q N -1.684 118.114 119.800 -0.004 0.000 2.462 110 Q HA -0.035 4.304 4.340 -0.001 0.000 0.224 110 Q C 1.761 177.758 176.000 -0.005 0.000 0.911 110 Q CA 0.196 55.993 55.803 -0.009 0.000 0.925 110 Q CB 0.396 29.119 28.738 -0.025 0.000 1.063 110 Q HN 0.513 nan 8.270 nan 0.000 0.572 111 E N 0.783 120.984 120.200 0.001 0.000 2.004 111 E HA -0.073 4.277 4.350 -0.001 0.000 0.194 111 E C 1.033 177.637 176.600 0.007 0.000 0.981 111 E CA 0.478 56.885 56.400 0.012 0.000 0.842 111 E CB 0.050 29.774 29.700 0.039 0.000 0.796 111 E HN 0.132 nan 8.360 nan 0.000 0.477 112 N N 1.328 120.031 118.700 0.006 0.000 2.471 112 N HA -0.051 4.689 4.740 -0.001 0.000 0.290 112 N C -0.716 174.787 175.510 -0.011 0.000 1.345 112 N CA -0.006 53.040 53.050 -0.007 0.000 0.920 112 N CB -0.081 38.397 38.487 -0.015 0.000 1.093 112 N HN 0.145 nan 8.380 nan 0.000 0.499 113 D N 0.829 121.217 120.400 -0.020 0.000 2.660 113 D HA -0.094 4.545 4.640 -0.001 0.000 0.253 113 D C -0.611 175.676 176.300 -0.020 0.000 1.256 113 D CA 0.467 54.453 54.000 -0.024 0.000 0.914 113 D CB -0.561 40.215 40.800 -0.039 0.000 1.137 113 D HN 0.175 nan 8.370 nan 0.000 0.542 114 T N 3.414 117.961 114.554 -0.012 0.000 3.859 114 T HA 0.169 4.519 4.350 -0.001 0.000 0.251 114 T C 0.478 175.172 174.700 -0.009 0.000 1.079 114 T CA -0.176 61.920 62.100 -0.007 0.000 1.151 114 T CB -0.625 68.243 68.868 -0.001 0.000 1.173 114 T HN 0.579 nan 8.240 nan 0.000 0.885 115 T N -0.030 114.511 114.554 -0.021 0.000 2.863 115 T HA 0.578 4.928 4.350 -0.001 0.000 0.285 115 T C 0.775 175.455 174.700 -0.033 0.000 1.009 115 T CA -1.071 61.012 62.100 -0.029 0.000 0.989 115 T CB 1.837 70.669 68.868 -0.060 0.000 1.004 115 T HN 0.144 nan 8.240 nan 0.000 0.455 116 L N 3.497 124.705 121.223 -0.025 0.000 2.185 116 L HA 0.292 4.631 4.340 -0.001 0.000 0.198 116 L C 2.204 179.043 176.870 -0.052 0.000 1.079 116 L CA 1.120 55.944 54.840 -0.028 0.000 0.780 116 L CB -0.761 41.292 42.059 -0.010 0.000 0.955 116 L HN 0.606 nan 8.230 nan 0.000 0.462 117 V N 0.575 120.459 119.914 -0.050 0.000 2.594 117 V HA -0.176 3.943 4.120 -0.001 0.000 0.253 117 V C 2.441 178.447 176.094 -0.147 0.000 1.069 117 V CA 1.361 63.615 62.300 -0.077 0.000 1.082 117 V CB -0.998 30.808 31.823 -0.028 0.000 0.680 117 V HN 0.394 nan 8.190 nan 0.000 0.469 118 K N -0.248 120.051 120.400 -0.168 0.000 2.432 118 K HA 0.033 4.353 4.320 -0.001 0.000 0.196 118 K C 1.952 178.469 176.600 -0.138 0.000 1.038 118 K CA 0.868 57.032 56.287 -0.206 0.000 0.986 118 K CB -0.193 32.178 32.500 -0.216 0.000 0.782 118 K HN 0.474 nan 8.250 nan 0.000 0.485 119 T N 0.420 114.913 114.554 -0.103 0.000 3.033 119 T HA 0.089 4.438 4.350 -0.001 0.000 0.248 119 T C 1.702 176.349 174.700 -0.089 0.000 1.040 119 T CA 0.286 62.340 62.100 -0.078 0.000 1.133 119 T CB 0.376 69.209 68.868 -0.057 0.000 0.895 119 T HN 0.104 nan 8.240 nan 0.000 0.465 120 K N 1.390 121.727 120.400 -0.104 0.000 2.026 120 K HA -0.121 4.198 4.320 -0.001 0.000 0.208 120 K C 2.323 178.843 176.600 -0.134 0.000 1.048 120 K CA 1.252 57.460 56.287 -0.131 0.000 0.929 120 K CB -0.139 32.285 32.500 -0.128 0.000 0.713 120 K HN 0.440 nan 8.250 nan 0.000 0.439 121 E N 1.558 121.684 120.200 -0.124 0.000 2.038 121 E HA -0.230 4.119 4.350 -0.001 0.000 0.195 121 E C 2.189 178.740 176.600 -0.083 0.000 1.000 121 E CA 1.126 57.457 56.400 -0.115 0.000 0.803 121 E CB -0.192 29.429 29.700 -0.132 0.000 0.750 121 E HN 0.257 nan 8.360 nan 0.000 0.448 122 L N 0.872 122.048 121.223 -0.077 0.000 2.034 122 L HA -0.281 4.058 4.340 -0.001 0.000 0.217 122 L C 2.351 179.231 176.870 0.016 0.000 1.077 122 L CA 1.918 56.732 54.840 -0.044 0.000 0.769 122 L CB -0.361 41.675 42.059 -0.038 0.000 0.890 122 L HN 0.272 nan 8.230 nan 0.000 0.435 123 I N -0.108 120.475 120.570 0.022 0.000 2.090 123 I HA -0.358 3.811 4.170 -0.001 0.000 0.236 123 I C 2.685 178.879 176.117 0.129 0.000 1.064 123 I CA 1.950 63.320 61.300 0.117 0.000 1.324 123 I CB -0.667 37.384 38.000 0.085 0.000 1.044 123 I HN 0.329 nan 8.210 nan 0.000 0.399 124 K N 1.195 121.600 120.400 0.007 0.000 2.107 124 K HA -0.297 4.022 4.320 -0.001 0.000 0.211 124 K C 1.840 178.472 176.600 0.052 0.000 1.049 124 K CA 2.409 58.700 56.287 0.005 0.000 0.927 124 K CB -0.199 32.254 32.500 -0.079 0.000 0.714 124 K HN 0.273 nan 8.250 nan 0.000 0.452 125 N N -0.070 118.652 118.700 0.038 0.000 2.007 125 N HA -0.209 4.530 4.740 -0.001 0.000 0.197 125 N C 1.500 177.060 175.510 0.084 0.000 1.050 125 N CA 1.728 54.799 53.050 0.035 0.000 0.856 125 N CB -0.721 37.761 38.487 -0.010 0.000 1.050 125 N HN 0.255 nan 8.380 nan 0.000 0.423 126 Y N 1.425 121.726 120.300 0.002 0.000 2.194 126 Y HA -0.170 4.379 4.550 -0.001 0.000 0.239 126 Y C 2.238 178.202 175.900 0.107 0.000 1.040 126 Y CA 1.407 59.547 58.100 0.065 0.000 1.036 126 Y CB -0.937 37.619 38.460 0.160 0.000 0.992 126 Y HN 0.023 nan 8.280 nan 0.000 0.486 127 I N -0.366 120.314 120.570 0.184 0.000 2.237 127 I HA -0.558 3.612 4.170 -0.001 0.000 0.245 127 I C 2.179 178.312 176.117 0.028 0.000 1.013 127 I CA 2.278 63.639 61.300 0.101 0.000 1.298 127 I CB -1.014 37.142 38.000 0.260 0.000 0.995 127 I HN 0.441 nan 8.210 nan 0.000 0.422 128 T N 0.316 114.907 114.554 0.063 0.000 2.701 128 T HA -0.101 4.248 4.350 -0.001 0.000 0.263 128 T C 2.028 176.738 174.700 0.016 0.000 1.040 128 T CA 1.435 63.572 62.100 0.060 0.000 1.147 128 T CB -0.387 68.531 68.868 0.084 0.000 0.865 128 T HN 0.538 nan 8.240 nan 0.000 0.426 129 A N 1.859 124.672 122.820 -0.011 0.000 1.892 129 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 129 A C 2.247 179.784 177.584 -0.078 0.000 1.188 129 A CA 2.183 54.201 52.037 -0.032 0.000 0.631 129 A CB -0.707 18.267 19.000 -0.043 0.000 0.822 129 A HN 0.448 nan 8.150 nan 0.000 0.447 130 R N -0.602 119.788 120.500 -0.183 0.000 2.113 130 R HA -0.121 4.218 4.340 -0.001 0.000 0.231 130 R C 2.059 178.315 176.300 -0.074 0.000 1.129 130 R CA 2.055 58.034 56.100 -0.202 0.000 0.915 130 R CB -0.515 29.569 30.300 -0.361 0.000 0.837 130 R HN 0.520 nan 8.270 nan 0.000 0.430 131 I N 0.936 121.492 120.570 -0.024 0.000 3.010 131 I HA -0.123 4.046 4.170 -0.001 0.000 0.271 131 I C 0.092 176.216 176.117 0.013 0.000 1.293 131 I CA 0.390 61.706 61.300 0.026 0.000 1.452 131 I CB 0.187 38.240 38.000 0.088 0.000 1.082 131 I HN 0.304 nan 8.210 nan 0.000 0.484 132 M N 1.552 121.152 119.600 0.001 0.000 2.497 132 M HA 0.238 4.718 4.480 -0.001 0.000 0.336 132 M C 0.740 177.036 176.300 -0.007 0.000 1.378 132 M CA 0.641 55.941 55.300 0.001 0.000 1.375 132 M CB -0.365 32.240 32.600 0.008 0.000 1.337 132 M HN 0.420 nan 8.290 nan 0.000 0.461 133 A N 3.444 126.258 122.820 -0.009 0.000 4.131 133 A HA -0.185 4.135 4.320 -0.001 0.000 0.256 133 A C 0.168 177.741 177.584 -0.017 0.000 2.324 133 A CA 0.298 52.329 52.037 -0.010 0.000 0.795 133 A CB -0.626 18.372 19.000 -0.003 0.000 1.077 133 A HN 0.561 nan 8.150 nan 0.000 0.407 134 K N 0.042 120.432 120.400 -0.017 0.000 2.393 134 K HA 0.757 5.077 4.320 -0.001 0.000 0.241 134 K C 0.409 176.990 176.600 -0.032 0.000 1.055 134 K CA -0.526 55.747 56.287 -0.023 0.000 0.951 134 K CB 0.431 32.924 32.500 -0.012 0.000 1.285 134 K HN 0.618 nan 8.250 nan 0.000 0.500 135 R N -1.683 118.796 120.500 -0.034 0.000 3.951 135 R HA -0.104 4.236 4.340 -0.001 0.000 0.352 135 R C -2.421 173.843 176.300 -0.059 0.000 1.178 135 R CA 0.178 56.258 56.100 -0.034 0.000 0.949 135 R CB -3.236 27.053 30.300 -0.019 0.000 1.452 135 R HN 0.601 nan 8.270 nan 0.000 0.540 136 P HA -0.158 nan 4.420 nan 0.000 0.266 136 P C 1.164 178.316 177.300 -0.246 0.000 1.162 136 P CA 0.699 63.682 63.100 -0.195 0.000 0.758 136 P CB -0.002 31.504 31.700 -0.323 0.000 0.774 137 F N 0.585 120.539 119.950 0.008 0.000 2.178 137 F HA -0.270 4.256 4.527 -0.001 0.000 0.299 137 F C 0.763 176.600 175.800 0.063 0.000 1.045 137 F CA 1.011 59.026 58.000 0.026 0.000 1.307 137 F CB -1.280 37.723 39.000 0.005 0.000 1.060 137 F HN 0.182 nan 8.300 nan 0.000 0.506 138 D N 1.098 121.310 120.400 -0.314 0.000 2.348 138 D HA 0.160 4.800 4.640 -0.001 0.000 0.253 138 D C 0.816 177.117 176.300 0.001 0.000 1.161 138 D CA 0.168 54.135 54.000 -0.055 0.000 0.876 138 D CB 1.437 42.126 40.800 -0.186 0.000 1.160 138 D HN 0.275 nan 8.370 nan 0.000 0.459 139 K N 2.334 122.786 120.400 0.086 0.000 2.473 139 K HA 0.028 4.348 4.320 -0.001 0.000 0.183 139 K C 0.797 177.463 176.600 0.111 0.000 1.854 139 K CA 0.046 56.377 56.287 0.074 0.000 1.084 139 K CB 0.202 32.746 32.500 0.072 0.000 1.684 139 K HN 0.410 nan 8.250 nan 0.000 0.565 140 K N -0.438 120.066 120.400 0.173 0.000 8.623 140 K HA -0.237 4.082 4.320 -0.001 0.000 0.494 140 K C -0.377 176.379 176.600 0.258 0.000 0.366 140 K CA 2.028 58.464 56.287 0.247 0.000 1.954 140 K CB -2.245 30.356 32.500 0.168 0.000 0.699 140 K HN 0.471 nan 8.250 nan 0.000 0.968 141 S N 2.682 118.484 115.700 0.171 0.000 2.573 141 S HA 0.087 4.556 4.470 -0.001 0.000 0.297 141 S C 0.170 174.844 174.600 0.124 0.000 1.280 141 S CA -0.133 58.157 58.200 0.149 0.000 1.061 141 S CB 0.535 63.794 63.200 0.098 0.000 0.812 141 S HN 0.292 nan 8.310 nan 0.000 0.500 142 N N 1.446 120.217 118.700 0.120 0.000 2.469 142 N HA 0.406 5.146 4.740 -0.001 0.000 0.286 142 N C 0.602 176.145 175.510 0.056 0.000 1.275 142 N CA -0.752 52.331 53.050 0.055 0.000 0.790 142 N CB 1.936 40.427 38.487 0.006 0.000 1.446 142 N HN 0.574 nan 8.380 nan 0.000 0.501 143 S N 0.439 116.152 115.700 0.022 0.000 2.455 143 S HA 0.191 4.661 4.470 -0.001 0.000 0.199 143 S C 0.849 175.480 174.600 0.053 0.000 1.169 143 S CA 1.295 59.509 58.200 0.023 0.000 1.503 143 S CB -0.079 63.117 63.200 -0.007 0.000 0.960 143 S HN 0.782 nan 8.310 nan 0.000 0.385 144 A N -0.896 121.956 122.820 0.054 0.000 3.972 144 A HA 0.640 4.960 4.320 -0.001 0.000 0.166 144 A C -0.050 177.609 177.584 0.126 0.000 0.722 144 A CA -0.092 51.999 52.037 0.090 0.000 1.045 144 A CB -0.922 18.114 19.000 0.059 0.000 1.949 144 A HN 0.799 nan 8.150 nan 0.000 0.853 145 L N -1.778 119.510 121.223 0.109 0.000 4.244 145 L HA -0.223 4.116 4.340 -0.001 0.000 0.449 145 L C 0.222 177.260 176.870 0.280 0.000 1.095 145 L CA 2.332 57.245 54.840 0.121 0.000 0.983 145 L CB -1.230 40.853 42.059 0.039 0.000 1.840 145 L HN 0.821 nan 8.230 nan 0.000 1.085 146 F N -2.442 117.524 119.950 0.027 0.000 2.897 146 F HA 0.228 4.755 4.527 -0.001 0.000 0.377 146 F C 1.887 177.769 175.800 0.136 0.000 0.917 146 F CA 0.514 58.539 58.000 0.041 0.000 1.079 146 F CB -0.057 38.901 39.000 -0.070 0.000 1.068 146 F HN 0.003 nan 8.300 nan 0.000 0.581 147 R N 0.926 121.544 120.500 0.198 0.000 2.082 147 R HA -0.086 4.253 4.340 -0.001 0.000 0.234 147 R C 2.245 178.620 176.300 0.124 0.000 1.136 147 R CA 1.486 57.688 56.100 0.170 0.000 0.935 147 R CB -1.147 29.231 30.300 0.130 0.000 0.842 147 R HN 0.198 nan 8.270 nan 0.000 0.430 148 A N 1.292 124.177 122.820 0.109 0.000 2.261 148 A HA -0.273 4.046 4.320 -0.001 0.000 0.271 148 A C 1.320 178.936 177.584 0.053 0.000 2.785 148 A CA 2.386 54.477 52.037 0.090 0.000 1.014 148 A CB -1.558 17.527 19.000 0.142 0.000 0.645 148 A HN 0.192 nan 8.150 nan 0.000 0.482 149 V N -0.143 119.795 119.914 0.040 0.000 2.304 149 V HA 0.435 4.555 4.120 -0.001 0.000 0.239 149 V C 1.302 177.387 176.094 -0.015 0.000 1.201 149 V CA 1.177 63.477 62.300 -0.000 0.000 1.254 149 V CB -0.894 30.927 31.823 -0.005 0.000 1.335 149 V HN 1.347 nan 8.190 nan 0.000 0.491 150 G N 3.346 112.117 108.800 -0.049 0.000 3.897 150 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.207 150 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.207 150 G C 0.496 175.371 174.900 -0.043 0.000 0.872 150 G CA -0.060 44.979 45.100 -0.101 0.000 0.872 150 G HN 0.541 nan 8.290 nan 0.000 0.442 151 E N 0.137 120.334 120.200 -0.004 0.000 2.526 151 E HA 0.373 4.723 4.350 -0.001 0.000 0.208 151 E C 1.629 178.225 176.600 -0.007 0.000 0.997 151 E CA 0.240 56.641 56.400 0.002 0.000 0.961 151 E CB 1.075 30.790 29.700 0.025 0.000 1.030 151 E HN 0.874 nan 8.360 nan 0.000 0.483 152 G N 2.008 110.798 108.800 -0.017 0.000 2.179 152 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.260 152 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.260 152 G C 0.868 175.761 174.900 -0.011 0.000 0.977 152 G CA 0.465 45.553 45.100 -0.020 0.000 0.641 152 G HN 0.216 nan 8.290 nan 0.000 0.533 153 N N 0.597 119.299 118.700 0.002 0.000 2.396 153 N HA 0.309 5.049 4.740 -0.001 0.000 0.180 153 N C 1.103 176.611 175.510 -0.003 0.000 1.028 153 N CA 1.494 54.549 53.050 0.009 0.000 0.893 153 N CB 0.170 38.675 38.487 0.030 0.000 0.967 153 N HN 1.090 nan 8.380 nan 0.000 0.440 154 A N -0.190 122.625 122.820 -0.008 0.000 2.529 154 A HA 0.642 4.962 4.320 -0.001 0.000 0.296 154 A C -1.506 176.049 177.584 -0.049 0.000 1.205 154 A CA -0.582 51.425 52.037 -0.050 0.000 0.671 154 A CB 1.531 20.517 19.000 -0.025 0.000 1.301 154 A HN 0.017 nan 8.150 nan 0.000 0.450 155 Q N -0.452 119.296 119.800 -0.087 0.000 2.289 155 Q HA 0.575 4.915 4.340 -0.001 0.000 0.270 155 Q C -1.880 174.098 176.000 -0.037 0.000 1.038 155 Q CA -0.641 55.127 55.803 -0.060 0.000 0.812 155 Q CB 2.671 31.363 28.738 -0.076 0.000 1.300 155 Q HN 0.582 nan 8.270 nan 0.000 0.427 156 L N 2.158 123.388 121.223 0.011 0.000 2.331 156 L HA 0.703 5.043 4.340 -0.001 0.000 0.275 156 L C -1.162 175.698 176.870 -0.017 0.000 1.022 156 L CA -0.590 54.290 54.840 0.067 0.000 0.812 156 L CB 2.047 44.199 42.059 0.154 0.000 1.257 156 L HN 0.476 nan 8.230 nan 0.000 0.435 157 V N 2.237 122.133 119.914 -0.029 0.000 3.040 157 V HA 0.942 5.061 4.120 -0.001 0.000 0.312 157 V C -0.575 175.525 176.094 0.010 0.000 1.115 157 V CA -0.618 61.588 62.300 -0.157 0.000 0.998 157 V CB 1.698 33.257 31.823 -0.440 0.000 1.042 157 V HN 0.917 nan 8.190 nan 0.000 0.433 158 A N 3.048 125.891 122.820 0.038 0.000 2.413 158 A HA 1.008 5.327 4.320 -0.001 0.000 0.307 158 A C -1.155 176.493 177.584 0.106 0.000 1.087 158 A CA -0.572 51.556 52.037 0.152 0.000 0.750 158 A CB 1.452 20.601 19.000 0.248 0.000 1.296 158 A HN 0.740 nan 8.150 nan 0.000 0.423 159 I N -0.197 120.340 120.570 -0.055 0.000 3.004 159 I HA 0.539 4.709 4.170 -0.001 0.000 0.305 159 I C -1.771 174.147 176.117 -0.333 0.000 1.312 159 I CA -0.337 60.983 61.300 0.033 0.000 0.992 159 I CB 2.533 40.645 38.000 0.186 0.000 1.282 159 I HN 0.572 nan 8.210 nan 0.000 0.449 160 F N 1.428 121.554 119.950 0.293 0.000 2.574 160 F HA 0.677 5.203 4.527 -0.001 0.000 0.313 160 F C 0.542 176.526 175.800 0.308 0.000 1.130 160 F CA -0.592 57.575 58.000 0.279 0.000 0.936 160 F CB 1.906 41.022 39.000 0.192 0.000 1.219 160 F HN 0.437 nan 8.300 nan 0.000 0.445 161 G N 0.313 109.351 108.800 0.398 0.000 2.583 161 G HA2 0.738 4.697 3.960 -0.001 0.000 0.280 161 G HA3 0.738 4.697 3.960 -0.001 0.000 0.280 161 G C -0.648 174.437 174.900 0.307 0.000 1.376 161 G CA -0.696 44.630 45.100 0.377 0.000 1.043 161 G HN 1.013 nan 8.290 nan 0.000 0.538 162 G N -2.719 106.237 108.800 0.261 0.000 2.702 162 G HA2 0.453 4.413 3.960 -0.001 0.000 0.296 162 G HA3 0.453 4.413 3.960 -0.001 0.000 0.296 162 G C -0.312 174.634 174.900 0.077 0.000 1.463 162 G CA -0.205 44.989 45.100 0.157 0.000 0.890 162 G HN 0.697 nan 8.290 nan 0.000 0.534 163 Q N -1.556 118.211 119.800 -0.055 0.000 2.450 163 Q HA -0.168 4.172 4.340 -0.001 0.000 0.255 163 Q C 1.120 177.101 176.000 -0.032 0.000 1.003 163 Q CA 1.200 56.952 55.803 -0.086 0.000 1.097 163 Q CB -2.112 26.530 28.738 -0.159 0.000 1.544 163 Q HN 1.719 nan 8.270 nan 0.000 0.531 164 G N 1.253 110.036 108.800 -0.029 0.000 2.825 164 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.241 164 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.241 164 G C 0.527 175.418 174.900 -0.015 0.000 1.239 164 G CA -0.324 44.769 45.100 -0.011 0.000 0.859 164 G HN 0.327 nan 8.290 nan 0.000 0.598 165 N N 0.868 119.556 118.700 -0.021 0.000 2.874 165 N HA 0.043 4.782 4.740 -0.001 0.000 0.316 165 N C -0.281 175.233 175.510 0.007 0.000 1.205 165 N CA 0.760 53.805 53.050 -0.008 0.000 1.180 165 N CB -0.083 38.386 38.487 -0.031 0.000 1.450 165 N HN 0.292 nan 8.380 nan 0.000 0.528 166 T N 0.113 114.692 114.554 0.041 0.000 3.172 166 T HA 0.098 4.447 4.350 -0.001 0.000 0.320 166 T C -0.257 174.550 174.700 0.179 0.000 1.085 166 T CA -0.897 61.249 62.100 0.078 0.000 1.052 166 T CB 1.640 70.540 68.868 0.055 0.000 1.107 166 T HN 0.274 nan 8.240 nan 0.000 0.458 167 D N 1.580 122.072 120.400 0.155 0.000 2.722 167 D HA 0.154 4.793 4.640 -0.001 0.000 0.239 167 D C -0.080 176.321 176.300 0.168 0.000 1.249 167 D CA -0.269 53.826 54.000 0.159 0.000 0.830 167 D CB 0.647 41.492 40.800 0.076 0.000 1.025 167 D HN 0.419 nan 8.370 nan 0.000 0.486 168 D N -0.468 120.096 120.400 0.274 0.000 2.929 168 D HA -0.039 4.601 4.640 -0.001 0.000 0.291 168 D C 0.636 177.190 176.300 0.425 0.000 1.086 168 D CA 0.040 54.193 54.000 0.254 0.000 0.971 168 D CB 0.296 41.202 40.800 0.176 0.000 1.275 168 D HN -0.008 nan 8.370 nan 0.000 0.469 169 Y N 0.382 120.758 120.300 0.127 0.000 2.819 169 Y HA -0.413 4.137 4.550 -0.001 0.000 0.471 169 Y C 1.654 177.686 175.900 0.220 0.000 1.144 169 Y CA 0.601 58.804 58.100 0.172 0.000 2.720 169 Y CB -2.101 36.473 38.460 0.190 0.000 1.169 169 Y HN 0.053 nan 8.280 nan 0.000 0.619 170 F N 1.512 121.672 119.950 0.350 0.000 2.167 170 F HA -0.293 4.233 4.527 -0.001 0.000 0.301 170 F C 2.111 178.022 175.800 0.184 0.000 1.066 170 F CA 2.414 60.559 58.000 0.241 0.000 1.285 170 F CB -0.218 38.907 39.000 0.208 0.000 1.032 170 F HN 0.342 nan 8.300 nan 0.000 0.495 171 E N -0.190 120.163 120.200 0.255 0.000 2.515 171 E HA -0.193 4.156 4.350 -0.001 0.000 0.201 171 E C 1.783 178.423 176.600 0.067 0.000 1.071 171 E CA 0.993 57.471 56.400 0.131 0.000 0.880 171 E CB -0.091 29.696 29.700 0.145 0.000 0.828 171 E HN 0.575 nan 8.360 nan 0.000 0.540 172 E N 0.595 120.842 120.200 0.077 0.000 2.152 172 E HA 0.047 4.397 4.350 -0.001 0.000 0.195 172 E C 1.964 178.595 176.600 0.053 0.000 0.934 172 E CA 0.048 56.502 56.400 0.091 0.000 0.869 172 E CB -0.333 29.449 29.700 0.137 0.000 0.842 172 E HN 0.178 nan 8.360 nan 0.000 0.472 173 L N 0.666 121.883 121.223 -0.009 0.000 2.042 173 L HA -0.148 4.192 4.340 -0.001 0.000 0.210 173 L C 2.680 179.454 176.870 -0.160 0.000 1.076 173 L CA 1.717 56.513 54.840 -0.074 0.000 0.749 173 L CB -0.216 41.784 42.059 -0.097 0.000 0.893 173 L HN 0.138 nan 8.230 nan 0.000 0.432 174 R N -0.189 120.079 120.500 -0.387 0.000 2.070 174 R HA -0.170 4.170 4.340 -0.001 0.000 0.233 174 R C 1.102 177.369 176.300 -0.055 0.000 1.137 174 R CA 1.809 57.753 56.100 -0.261 0.000 0.945 174 R CB -0.214 29.881 30.300 -0.341 0.000 0.845 174 R HN 0.413 nan 8.270 nan 0.000 0.430 175 D N 0.579 120.949 120.400 -0.050 0.000 2.396 175 D HA -0.045 4.594 4.640 -0.001 0.000 0.255 175 D C 0.858 177.171 176.300 0.022 0.000 1.224 175 D CA 0.353 54.343 54.000 -0.016 0.000 0.894 175 D CB 0.650 41.452 40.800 0.004 0.000 0.939 175 D HN 0.194 nan 8.370 nan 0.000 0.506 176 L N -1.323 119.930 121.223 0.051 0.000 2.678 176 L HA 0.092 4.431 4.340 -0.001 0.000 0.211 176 L C 1.597 178.561 176.870 0.157 0.000 1.043 176 L CA 0.197 55.122 54.840 0.140 0.000 0.881 176 L CB -0.459 41.661 42.059 0.101 0.000 1.361 176 L HN -0.131 nan 8.230 nan 0.000 0.484 177 Y N 1.193 121.470 120.300 -0.038 0.000 2.070 177 Y HA -0.259 4.290 4.550 -0.001 0.000 0.279 177 Y C 2.740 178.550 175.900 -0.151 0.000 1.134 177 Y CA 2.610 60.673 58.100 -0.062 0.000 1.113 177 Y CB -0.767 37.642 38.460 -0.085 0.000 0.981 177 Y HN 0.453 nan 8.280 nan 0.000 0.487 178 Q N 0.252 119.848 119.800 -0.340 0.000 2.096 178 Q HA -0.193 4.147 4.340 -0.001 0.000 0.208 178 Q C 2.039 177.795 176.000 -0.407 0.000 0.993 178 Q CA 3.257 58.759 55.803 -0.502 0.000 0.862 178 Q CB -0.918 27.679 28.738 -0.236 0.000 0.915 178 Q HN 0.584 nan 8.270 nan 0.000 0.416 179 T N -0.407 113.976 114.554 -0.284 0.000 2.570 179 T HA -0.212 4.138 4.350 -0.001 0.000 0.266 179 T C -0.093 174.324 174.700 -0.472 0.000 1.071 179 T CA 2.051 63.890 62.100 -0.435 0.000 1.172 179 T CB -0.438 68.083 68.868 -0.579 0.000 0.864 179 T HN 0.407 nan 8.240 nan 0.000 0.421 180 Y N 0.873 121.131 120.300 -0.070 0.000 2.842 180 Y HA 0.426 4.976 4.550 -0.001 0.000 0.334 180 Y C 1.085 176.954 175.900 -0.052 0.000 1.019 180 Y CA -1.122 56.961 58.100 -0.028 0.000 1.258 180 Y CB 0.034 38.503 38.460 0.014 0.000 1.106 180 Y HN 0.151 nan 8.280 nan 0.000 0.545 181 H N 1.191 120.249 119.070 -0.020 0.000 2.265 181 H HA -0.176 4.379 4.556 -0.001 0.000 0.293 181 H C 1.780 177.133 175.328 0.042 0.000 1.089 181 H CA 2.386 58.380 56.048 -0.089 0.000 1.244 181 H CB 0.050 29.755 29.762 -0.096 0.000 1.355 181 H HN 0.506 nan 8.280 nan 0.000 0.485 182 V N 1.687 121.727 119.914 0.210 0.000 2.232 182 V HA -0.285 3.834 4.120 -0.001 0.000 0.241 182 V C 2.450 178.577 176.094 0.056 0.000 1.036 182 V CA 1.938 64.311 62.300 0.121 0.000 0.993 182 V CB -0.985 30.898 31.823 0.100 0.000 0.639 182 V HN 0.337 nan 8.190 nan 0.000 0.459 183 L N 0.327 121.550 121.223 0.001 0.000 4.139 183 L HA -0.053 4.286 4.340 -0.001 0.000 0.275 183 L C 1.067 177.882 176.870 -0.092 0.000 1.255 183 L CA 0.694 55.452 54.840 -0.136 0.000 0.877 183 L CB -0.835 41.083 42.059 -0.234 0.000 1.297 183 L HN 0.387 nan 8.230 nan 0.000 0.416 184 V N -1.994 117.931 119.914 0.018 0.000 5.101 184 V HA 0.007 4.127 4.120 -0.001 0.000 0.610 184 V C 1.870 178.061 176.094 0.161 0.000 2.130 184 V CA 0.684 63.031 62.300 0.078 0.000 2.793 184 V CB -0.056 31.819 31.823 0.086 0.000 1.016 184 V HN 0.342 nan 8.190 nan 0.000 0.439 185 G N 0.477 109.395 108.800 0.197 0.000 2.517 185 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.222 185 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.222 185 G C 0.771 175.777 174.900 0.177 0.000 1.109 185 G CA 1.633 46.881 45.100 0.246 0.000 0.746 185 G HN 0.585 nan 8.290 nan 0.000 0.576 186 D N 0.189 120.685 120.400 0.160 0.000 2.003 186 D HA -0.067 4.572 4.640 -0.001 0.000 0.251 186 D C 2.603 179.042 176.300 0.232 0.000 1.063 186 D CA 0.363 54.487 54.000 0.208 0.000 0.968 186 D CB -0.780 40.172 40.800 0.254 0.000 1.349 186 D HN 0.083 nan 8.370 nan 0.000 0.514 187 L N 0.298 121.703 121.223 0.303 0.000 2.149 187 L HA -0.278 4.061 4.340 -0.001 0.000 0.223 187 L C 2.190 179.176 176.870 0.192 0.000 1.089 187 L CA 0.882 55.907 54.840 0.308 0.000 0.800 187 L CB -0.424 41.806 42.059 0.285 0.000 0.897 187 L HN 0.252 nan 8.230 nan 0.000 0.443 188 I N -0.098 120.556 120.570 0.139 0.000 2.040 188 I HA -0.320 3.850 4.170 -0.001 0.000 0.224 188 I C 2.480 178.615 176.117 0.031 0.000 1.038 188 I CA 1.490 62.822 61.300 0.053 0.000 1.330 188 I CB -1.293 36.722 38.000 0.026 0.000 1.076 188 I HN 0.204 nan 8.210 nan 0.000 0.388 189 K N 0.854 121.279 120.400 0.042 0.000 2.148 189 K HA -0.285 4.035 4.320 -0.001 0.000 0.213 189 K C 2.076 178.703 176.600 0.044 0.000 1.050 189 K CA 1.813 58.120 56.287 0.033 0.000 0.932 189 K CB -0.854 31.689 32.500 0.072 0.000 0.717 189 K HN 0.213 nan 8.250 nan 0.000 0.462 190 F N 1.466 121.338 119.950 -0.130 0.000 1.988 190 F HA -0.216 4.311 4.527 -0.001 0.000 0.296 190 F C 2.429 178.118 175.800 -0.185 0.000 1.178 190 F CA 2.449 60.305 58.000 -0.240 0.000 1.174 190 F CB -1.405 37.348 39.000 -0.410 0.000 0.963 190 F HN 0.265 nan 8.300 nan 0.000 0.489 191 S N 1.076 116.614 115.700 -0.271 0.000 2.428 191 S HA -0.305 4.165 4.470 -0.001 0.000 0.240 191 S C 2.153 176.608 174.600 -0.242 0.000 1.036 191 S CA 1.309 59.311 58.200 -0.331 0.000 1.009 191 S CB -1.663 61.464 63.200 -0.122 0.000 0.803 191 S HN 0.636 nan 8.310 nan 0.000 0.486 192 A N 2.783 125.506 122.820 -0.162 0.000 1.827 192 A HA -0.152 4.168 4.320 -0.001 0.000 0.215 192 A C 2.257 179.734 177.584 -0.179 0.000 1.212 192 A CA 1.616 53.565 52.037 -0.148 0.000 0.624 192 A CB -1.023 17.909 19.000 -0.113 0.000 0.853 192 A HN 0.495 nan 8.150 nan 0.000 0.450 193 E N -0.513 119.589 120.200 -0.163 0.000 2.082 193 E HA -0.253 4.096 4.350 -0.001 0.000 0.215 193 E C 2.087 178.547 176.600 -0.232 0.000 1.048 193 E CA 2.009 58.311 56.400 -0.163 0.000 0.869 193 E CB -1.421 28.203 29.700 -0.125 0.000 0.773 193 E HN 0.641 nan 8.360 nan 0.000 0.466 194 T N 2.593 116.936 114.554 -0.352 0.000 2.397 194 T HA -0.254 4.095 4.350 -0.001 0.000 0.236 194 T C 2.144 176.650 174.700 -0.324 0.000 1.393 194 T CA 2.261 64.114 62.100 -0.411 0.000 1.148 194 T CB -0.811 67.705 68.868 -0.587 0.000 0.853 194 T HN 0.137 nan 8.240 nan 0.000 0.419 195 L N 0.778 121.838 121.223 -0.272 0.000 2.043 195 L HA -0.148 4.191 4.340 -0.001 0.000 0.212 195 L C 2.850 179.592 176.870 -0.213 0.000 1.075 195 L CA 1.505 56.216 54.840 -0.216 0.000 0.752 195 L CB -0.715 41.313 42.059 -0.052 0.000 0.891 195 L HN 0.338 nan 8.230 nan 0.000 0.432 196 S N -0.957 114.630 115.700 -0.188 0.000 2.462 196 S HA -0.182 4.288 4.470 -0.001 0.000 0.243 196 S C 1.784 176.280 174.600 -0.173 0.000 1.003 196 S CA 1.278 59.377 58.200 -0.168 0.000 0.970 196 S CB -0.087 63.023 63.200 -0.149 0.000 0.762 196 S HN 0.405 nan 8.310 nan 0.000 0.510 197 E N 0.554 120.628 120.200 -0.209 0.000 2.175 197 E HA 0.159 4.508 4.350 -0.001 0.000 0.195 197 E C 1.859 178.313 176.600 -0.243 0.000 0.934 197 E CA 0.330 56.613 56.400 -0.196 0.000 0.870 197 E CB -0.392 29.196 29.700 -0.185 0.000 0.838 197 E HN 0.501 nan 8.360 nan 0.000 0.474 198 L N 1.889 122.882 121.223 -0.382 0.000 2.661 198 L HA -0.105 4.234 4.340 -0.001 0.000 0.236 198 L C 2.284 178.895 176.870 -0.431 0.000 1.176 198 L CA 0.513 55.005 54.840 -0.579 0.000 0.836 198 L CB -0.583 40.722 42.059 -1.257 0.000 0.960 198 L HN 0.162 nan 8.230 nan 0.000 0.455 199 I N 0.570 120.985 120.570 -0.258 0.000 2.956 199 I HA -0.169 4.001 4.170 -0.001 0.000 0.233 199 I C 2.792 178.830 176.117 -0.131 0.000 1.054 199 I CA 0.526 61.714 61.300 -0.186 0.000 1.456 199 I CB -0.060 37.803 38.000 -0.228 0.000 1.297 199 I HN 0.226 nan 8.210 nan 0.000 0.448 200 R N 0.341 120.772 120.500 -0.116 0.000 2.226 200 R HA -0.159 4.180 4.340 -0.001 0.000 0.246 200 R C 1.589 177.855 176.300 -0.057 0.000 1.161 200 R CA 2.135 58.189 56.100 -0.077 0.000 0.997 200 R CB -1.332 28.927 30.300 -0.069 0.000 0.870 200 R HN 0.356 nan 8.270 nan 0.000 0.465 201 T N 0.107 114.621 114.554 -0.065 0.000 2.942 201 T HA -0.017 4.333 4.350 -0.001 0.000 0.265 201 T C 1.099 175.810 174.700 0.019 0.000 1.062 201 T CA 1.526 63.608 62.100 -0.030 0.000 1.139 201 T CB 0.066 68.907 68.868 -0.046 0.000 0.883 201 T HN 0.356 nan 8.240 nan 0.000 0.468 202 T N 2.646 117.211 114.554 0.019 0.000 3.273 202 T HA 0.367 4.716 4.350 -0.001 0.000 0.254 202 T C 0.463 175.167 174.700 0.007 0.000 1.002 202 T CA -0.262 61.875 62.100 0.063 0.000 0.913 202 T CB -0.652 68.229 68.868 0.022 0.000 1.056 202 T HN 0.284 nan 8.240 nan 0.000 0.576 203 L N 2.724 123.944 121.223 -0.005 0.000 3.458 203 L HA -0.243 4.096 4.340 -0.001 0.000 0.379 203 L C 1.057 177.924 176.870 -0.004 0.000 0.997 203 L CA 0.832 55.665 54.840 -0.012 0.000 0.823 203 L CB -0.083 41.974 42.059 -0.003 0.000 1.312 203 L HN 0.473 nan 8.230 nan 0.000 0.660 204 D N 0.847 121.237 120.400 -0.016 0.000 4.400 204 D HA -0.111 4.528 4.640 -0.001 0.000 0.125 204 D C 1.234 177.524 176.300 -0.016 0.000 0.397 204 D CA 0.707 54.706 54.000 -0.003 0.000 0.588 204 D CB -0.502 40.304 40.800 0.010 0.000 1.635 204 D HN 0.488 nan 8.370 nan 0.000 0.088 205 A N 1.015 123.797 122.820 -0.063 0.000 2.209 205 A HA 0.007 4.327 4.320 -0.001 0.000 0.212 205 A C 1.645 179.161 177.584 -0.113 0.000 1.158 205 A CA 1.251 53.216 52.037 -0.121 0.000 0.742 205 A CB -0.303 18.552 19.000 -0.241 0.000 0.790 205 A HN 0.348 nan 8.150 nan 0.000 0.472 206 E N -0.059 120.103 120.200 -0.063 0.000 2.358 206 E HA -0.036 4.314 4.350 -0.001 0.000 0.195 206 E C 1.202 177.829 176.600 0.044 0.000 1.010 206 E CA 0.648 57.031 56.400 -0.028 0.000 0.856 206 E CB 0.028 29.710 29.700 -0.030 0.000 0.795 206 E HN 0.494 nan 8.360 nan 0.000 0.504 207 K N 0.316 120.747 120.400 0.052 0.000 2.410 207 K HA 0.127 4.446 4.320 -0.001 0.000 0.200 207 K C 0.567 177.217 176.600 0.085 0.000 1.023 207 K CA 0.065 56.390 56.287 0.063 0.000 1.149 207 K CB 0.998 33.529 32.500 0.051 0.000 0.859 207 K HN -0.024 nan 8.250 nan 0.000 0.514 208 V N 0.006 120.004 119.914 0.140 0.000 3.502 208 V HA 0.108 4.228 4.120 -0.001 0.000 0.288 208 V C -0.125 175.958 176.094 -0.018 0.000 1.461 208 V CA 0.237 62.557 62.300 0.034 0.000 1.029 208 V CB 0.191 32.023 31.823 0.015 0.000 0.843 208 V HN 0.134 nan 8.190 nan 0.000 0.438 209 F N 1.099 120.970 119.950 -0.131 0.000 2.928 209 F HA 0.228 4.755 4.527 -0.001 0.000 0.337 209 F C 2.046 177.832 175.800 -0.025 0.000 1.259 209 F CA -0.281 57.670 58.000 -0.083 0.000 1.267 209 F CB -0.661 38.295 39.000 -0.074 0.000 0.986 209 F HN 0.148 nan 8.300 nan 0.000 0.507 210 T N -1.816 112.786 114.554 0.081 0.000 2.668 210 T HA -0.353 3.996 4.350 -0.001 0.000 0.265 210 T C 1.007 175.740 174.700 0.055 0.000 1.041 210 T CA 1.573 63.699 62.100 0.042 0.000 1.160 210 T CB -0.928 67.928 68.868 -0.020 0.000 0.857 210 T HN 0.561 nan 8.240 nan 0.000 0.455 211 Q N 2.646 122.482 119.800 0.060 0.000 2.348 211 Q HA 0.483 4.822 4.340 -0.001 0.000 0.251 211 Q C 0.510 176.653 176.000 0.238 0.000 1.113 211 Q CA -0.503 55.363 55.803 0.106 0.000 0.902 211 Q CB 0.175 28.952 28.738 0.064 0.000 1.333 211 Q HN 0.456 nan 8.270 nan 0.000 0.457 212 G N 3.119 112.045 108.800 0.210 0.000 2.164 212 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.259 212 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.259 212 G C 0.137 175.182 174.900 0.242 0.000 0.894 212 G CA -0.448 44.770 45.100 0.196 0.000 0.961 212 G HN 0.755 nan 8.290 nan 0.000 0.369 213 L N 2.878 124.162 121.223 0.101 0.000 2.855 213 L HA 0.095 4.434 4.340 -0.001 0.000 0.257 213 L C 1.487 178.039 176.870 -0.531 0.000 1.206 213 L CA -0.289 54.466 54.840 -0.141 0.000 1.042 213 L CB -0.654 41.474 42.059 0.114 0.000 1.321 213 L HN 0.587 nan 8.230 nan 0.000 0.417 214 N N 0.822 119.214 118.700 -0.514 0.000 3.117 214 N HA -0.070 4.669 4.740 -0.001 0.000 0.323 214 N C 1.302 176.157 175.510 -1.092 0.000 1.245 214 N CA 0.131 52.863 53.050 -0.530 0.000 1.191 214 N CB -0.192 38.178 38.487 -0.195 0.000 1.451 214 N HN 0.541 nan 8.380 nan 0.000 0.555 215 I N -0.091 119.774 120.570 -1.175 0.000 2.874 215 I HA -0.306 3.864 4.170 -0.001 0.000 0.271 215 I C 2.063 177.954 176.117 -0.377 0.000 1.263 215 I CA 0.516 61.237 61.300 -0.964 0.000 1.443 215 I CB -0.212 37.537 38.000 -0.419 0.000 1.100 215 I HN 0.427 nan 8.210 nan 0.000 0.480 216 L N 0.977 121.997 121.223 -0.338 0.000 1.868 216 L HA -0.193 4.147 4.340 -0.001 0.000 0.222 216 L C 2.466 179.344 176.870 0.013 0.000 1.108 216 L CA 1.375 56.133 54.840 -0.137 0.000 0.822 216 L CB -0.347 41.649 42.059 -0.106 0.000 0.891 216 L HN 0.137 nan 8.230 nan 0.000 0.441 217 E N -0.454 119.791 120.200 0.076 0.000 2.197 217 E HA -0.323 4.027 4.350 -0.001 0.000 0.205 217 E C 1.711 178.531 176.600 0.367 0.000 1.029 217 E CA 1.886 58.409 56.400 0.205 0.000 0.828 217 E CB -0.353 29.470 29.700 0.205 0.000 0.737 217 E HN 0.565 nan 8.360 nan 0.000 0.464 218 W N 0.402 121.766 121.300 0.106 0.000 2.296 218 W HA -0.200 4.460 4.660 -0.001 0.000 0.282 218 W C 1.808 178.526 176.519 0.332 0.000 1.207 218 W CA 0.925 58.373 57.345 0.172 0.000 1.183 218 W CB -0.733 28.801 29.460 0.123 0.000 1.135 218 W HN 0.185 nan 8.180 nan 0.000 0.557 219 L N -1.394 120.111 121.223 0.470 0.000 2.265 219 L HA 0.001 4.341 4.340 -0.001 0.000 0.195 219 L C 2.320 179.380 176.870 0.316 0.000 1.083 219 L CA 0.669 55.720 54.840 0.350 0.000 0.798 219 L CB -1.025 41.118 42.059 0.141 0.000 0.989 219 L HN -0.185 nan 8.230 nan 0.000 0.472 220 E N 1.544 121.926 120.200 0.303 0.000 2.097 220 E HA -0.198 4.152 4.350 -0.001 0.000 0.196 220 E C 0.115 176.826 176.600 0.186 0.000 1.000 220 E CA 1.472 58.027 56.400 0.259 0.000 0.804 220 E CB -0.335 29.505 29.700 0.233 0.000 0.740 220 E HN 0.679 nan 8.360 nan 0.000 0.454 221 N N -0.404 118.404 118.700 0.180 0.000 2.725 221 N HA 0.150 4.889 4.740 -0.001 0.000 0.248 221 N C -2.518 173.070 175.510 0.130 0.000 1.402 221 N CA -1.084 52.046 53.050 0.133 0.000 0.766 221 N CB 1.269 39.821 38.487 0.108 0.000 1.223 221 N HN -0.138 nan 8.380 nan 0.000 0.515 222 P HA -0.212 nan 4.420 nan 0.000 0.234 222 P C 1.403 178.712 177.300 0.015 0.000 1.162 222 P CA 0.915 64.071 63.100 0.094 0.000 0.759 222 P CB 0.203 31.979 31.700 0.126 0.000 0.813 223 S N 0.010 115.728 115.700 0.031 0.000 2.413 223 S HA -0.243 4.227 4.470 -0.001 0.000 0.237 223 S C 1.523 176.107 174.600 -0.026 0.000 1.044 223 S CA 1.625 59.828 58.200 0.007 0.000 1.024 223 S CB -1.426 61.787 63.200 0.022 0.000 0.829 223 S HN 0.372 nan 8.310 nan 0.000 0.475 224 N N 0.151 118.828 118.700 -0.038 0.000 2.351 224 N HA 0.165 4.904 4.740 -0.001 0.000 0.254 224 N C -1.180 174.197 175.510 -0.222 0.000 1.241 224 N CA -0.145 52.856 53.050 -0.082 0.000 0.883 224 N CB 0.493 38.970 38.487 -0.017 0.000 1.202 224 N HN 0.165 nan 8.380 nan 0.000 0.512 225 T N 2.556 116.930 114.554 -0.301 0.000 2.761 225 T HA 0.113 4.463 4.350 -0.001 0.000 0.287 225 T C -2.449 171.855 174.700 -0.660 0.000 0.931 225 T CA -0.540 61.169 62.100 -0.651 0.000 1.164 225 T CB 0.881 69.494 68.868 -0.425 0.000 0.876 225 T HN 0.128 nan 8.240 nan 0.000 0.534 226 P HA -0.033 nan 4.420 nan 0.000 0.235 226 P C 0.393 177.430 177.300 -0.439 0.000 1.080 226 P CA 0.624 63.376 63.100 -0.581 0.000 1.096 226 P CB -0.093 31.243 31.700 -0.607 0.000 1.085 227 D N 1.334 121.562 120.400 -0.288 0.000 3.565 227 D HA -0.251 4.389 4.640 -0.001 0.000 0.257 227 D C 0.850 177.036 176.300 -0.189 0.000 1.938 227 D CA 0.877 54.760 54.000 -0.194 0.000 1.130 227 D CB -0.307 40.412 40.800 -0.135 0.000 0.859 227 D HN 0.371 nan 8.370 nan 0.000 1.039 228 K N -0.146 120.181 120.400 -0.121 0.000 2.598 228 K HA 0.042 4.362 4.320 -0.001 0.000 0.214 228 K C 0.937 177.485 176.600 -0.088 0.000 1.575 228 K CA 0.166 56.397 56.287 -0.094 0.000 1.042 228 K CB 0.407 32.875 32.500 -0.054 0.000 1.338 228 K HN 0.231 nan 8.250 nan 0.000 0.590 229 D N 0.132 120.500 120.400 -0.054 0.000 1.989 229 D HA -0.119 4.520 4.640 -0.001 0.000 0.259 229 D C 1.193 177.487 176.300 -0.011 0.000 0.992 229 D CA 1.316 55.315 54.000 -0.000 0.000 0.912 229 D CB -0.173 40.681 40.800 0.089 0.000 1.083 229 D HN 0.070 nan 8.370 nan 0.000 0.441 230 Y N 0.097 120.299 120.300 -0.164 0.000 2.425 230 Y HA -0.104 4.446 4.550 -0.001 0.000 0.285 230 Y C 1.939 177.709 175.900 -0.216 0.000 1.170 230 Y CA 0.543 58.537 58.100 -0.176 0.000 1.304 230 Y CB -0.693 37.674 38.460 -0.155 0.000 0.972 230 Y HN 0.150 nan 8.280 nan 0.000 0.558 231 L N -0.701 120.444 121.223 -0.130 0.000 2.450 231 L HA -0.120 4.220 4.340 -0.001 0.000 0.224 231 L C 1.764 178.464 176.870 -0.282 0.000 1.149 231 L CA 1.431 56.154 54.840 -0.195 0.000 0.816 231 L CB -0.543 41.362 42.059 -0.257 0.000 0.932 231 L HN 0.350 nan 8.230 nan 0.000 0.449 232 L N -0.998 119.988 121.223 -0.394 0.000 2.408 232 L HA 0.198 4.538 4.340 -0.001 0.000 0.215 232 L C 1.413 178.010 176.870 -0.455 0.000 1.081 232 L CA 0.458 54.879 54.840 -0.699 0.000 0.840 232 L CB -0.034 41.653 42.059 -0.620 0.000 1.002 232 L HN 0.457 nan 8.230 nan 0.000 0.468 233 S N 0.070 115.538 115.700 -0.387 0.000 2.553 233 S HA -0.188 4.282 4.470 -0.001 0.000 0.293 233 S C 1.515 176.013 174.600 -0.171 0.000 1.296 233 S CA 0.390 58.387 58.200 -0.338 0.000 1.046 233 S CB 0.223 63.096 63.200 -0.544 0.000 0.810 233 S HN 0.448 nan 8.310 nan 0.000 0.505 234 I N 2.529 123.086 120.570 -0.021 0.000 2.074 234 I HA -0.067 4.103 4.170 -0.001 0.000 0.238 234 I C -1.332 174.760 176.117 -0.041 0.000 1.037 234 I CA 0.899 62.253 61.300 0.091 0.000 1.301 234 I CB -0.931 37.202 38.000 0.222 0.000 1.016 234 I HN 0.581 nan 8.210 nan 0.000 0.400 235 P HA 0.114 nan 4.420 nan 0.000 0.271 235 P C 0.406 177.441 177.300 -0.441 0.000 1.226 235 P CA 0.732 63.598 63.100 -0.390 0.000 0.765 235 P CB 1.377 32.634 31.700 -0.738 0.000 0.835 236 I N 0.518 121.018 120.570 -0.118 0.000 3.284 236 I HA -0.317 3.852 4.170 -0.001 0.000 0.248 236 I C 1.835 178.033 176.117 0.135 0.000 0.432 236 I CA 1.464 62.779 61.300 0.026 0.000 0.968 236 I CB -1.714 36.233 38.000 -0.088 0.000 3.976 236 I HN 0.406 nan 8.210 nan 0.000 1.114 237 S N 0.523 116.300 115.700 0.128 0.000 2.371 237 S HA -0.091 4.379 4.470 -0.001 0.000 0.221 237 S C 1.840 176.649 174.600 0.349 0.000 1.036 237 S CA 1.184 59.594 58.200 0.350 0.000 0.965 237 S CB -0.569 62.854 63.200 0.372 0.000 0.845 237 S HN 0.571 nan 8.310 nan 0.000 0.475 238 C N 3.853 123.307 119.300 0.257 0.000 2.376 238 C HA -0.034 4.426 4.460 -0.001 0.000 0.275 238 C C 0.427 175.532 174.990 0.191 0.000 1.200 238 C CA 1.377 60.528 59.018 0.222 0.000 1.756 238 C CB -1.901 25.933 27.740 0.158 0.000 2.050 238 C HN 0.553 nan 8.230 nan 0.000 0.460 239 P HA -0.089 nan 4.420 nan 0.000 0.205 239 P C 1.388 178.795 177.300 0.179 0.000 1.203 239 P CA 1.541 64.750 63.100 0.183 0.000 0.926 239 P CB -0.359 31.470 31.700 0.214 0.000 0.767 240 L N -0.758 120.590 121.223 0.207 0.000 2.171 240 L HA -0.210 4.129 4.340 -0.001 0.000 0.216 240 L C 2.860 179.858 176.870 0.214 0.000 1.084 240 L CA 1.587 56.564 54.840 0.229 0.000 0.771 240 L CB -1.716 40.542 42.059 0.332 0.000 0.890 240 L HN 0.000 nan 8.230 nan 0.000 0.437 241 I N -0.695 119.996 120.570 0.202 0.000 2.076 241 I HA -0.306 3.863 4.170 -0.001 0.000 0.237 241 I C 2.448 178.664 176.117 0.164 0.000 1.059 241 I CA 1.876 63.259 61.300 0.138 0.000 1.317 241 I CB -0.640 37.406 38.000 0.078 0.000 1.037 241 I HN 0.337 nan 8.210 nan 0.000 0.398 242 G N -0.089 108.803 108.800 0.154 0.000 2.476 242 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.218 242 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.218 242 G C 1.628 176.625 174.900 0.161 0.000 1.164 242 G CA 1.201 46.388 45.100 0.144 0.000 0.768 242 G HN 0.386 nan 8.290 nan 0.000 0.560 243 V N 1.639 121.640 119.914 0.145 0.000 2.277 243 V HA -0.349 3.770 4.120 -0.001 0.000 0.255 243 V C 2.773 178.963 176.094 0.160 0.000 1.074 243 V CA 2.168 64.551 62.300 0.139 0.000 1.058 243 V CB -0.630 31.268 31.823 0.125 0.000 0.656 243 V HN 0.488 nan 8.190 nan 0.000 0.449 244 I N 0.323 121.005 120.570 0.186 0.000 2.045 244 I HA -0.358 3.812 4.170 -0.001 0.000 0.233 244 I C 2.822 179.164 176.117 0.374 0.000 1.048 244 I CA 2.306 63.737 61.300 0.218 0.000 1.313 244 I CB -0.990 37.181 38.000 0.285 0.000 1.043 244 I HN 0.380 nan 8.210 nan 0.000 0.393 245 Q N 1.203 121.303 119.800 0.499 0.000 2.133 245 Q HA -0.229 4.110 4.340 -0.001 0.000 0.208 245 Q C 2.285 178.595 176.000 0.517 0.000 0.991 245 Q CA 1.692 57.880 55.803 0.642 0.000 0.867 245 Q CB -0.675 28.464 28.738 0.668 0.000 0.911 245 Q HN 0.562 nan 8.270 nan 0.000 0.417 246 L N 0.751 122.166 121.223 0.320 0.000 1.976 246 L HA -0.179 4.161 4.340 -0.001 0.000 0.209 246 L C 2.779 179.850 176.870 0.336 0.000 1.071 246 L CA 1.043 56.063 54.840 0.300 0.000 0.746 246 L CB -0.952 41.245 42.059 0.229 0.000 0.890 246 L HN 0.308 nan 8.230 nan 0.000 0.432 247 A N -0.630 122.322 122.820 0.220 0.000 1.927 247 A HA -0.274 4.046 4.320 -0.001 0.000 0.220 247 A C 2.125 179.733 177.584 0.040 0.000 1.185 247 A CA 1.860 53.955 52.037 0.097 0.000 0.639 247 A CB -0.892 18.091 19.000 -0.027 0.000 0.820 247 A HN 0.468 nan 8.150 nan 0.000 0.451 248 H N -2.668 116.555 119.070 0.254 0.000 2.261 248 H HA -0.143 4.412 4.556 -0.001 0.000 0.301 248 H C 2.054 177.581 175.328 0.331 0.000 1.067 248 H CA 1.964 58.180 56.048 0.281 0.000 1.297 248 H CB -0.984 29.031 29.762 0.423 0.000 1.377 248 H HN 0.615 nan 8.280 nan 0.000 0.492 249 Y N 2.166 122.675 120.300 0.349 0.000 2.219 249 Y HA -0.262 4.288 4.550 -0.001 0.000 0.283 249 Y C 2.419 178.367 175.900 0.080 0.000 1.191 249 Y CA 1.038 59.184 58.100 0.077 0.000 1.199 249 Y CB -0.740 37.654 38.460 -0.111 0.000 0.972 249 Y HN -0.097 nan 8.280 nan 0.000 0.527 250 V N -1.046 118.904 119.914 0.061 0.000 2.229 250 V HA -0.318 3.802 4.120 -0.001 0.000 0.243 250 V C 2.439 178.432 176.094 -0.168 0.000 1.042 250 V CA 1.897 64.122 62.300 -0.125 0.000 1.000 250 V CB -1.144 30.682 31.823 0.006 0.000 0.637 250 V HN 0.279 nan 8.190 nan 0.000 0.446 251 V N 0.336 120.168 119.914 -0.136 0.000 2.332 251 V HA -0.306 3.814 4.120 -0.001 0.000 0.248 251 V C 2.569 178.543 176.094 -0.200 0.000 1.055 251 V CA 2.592 64.737 62.300 -0.258 0.000 1.038 251 V CB -1.633 29.966 31.823 -0.374 0.000 0.651 251 V HN 0.672 nan 8.190 nan 0.000 0.450 252 T N 0.425 114.956 114.554 -0.038 0.000 2.685 252 T HA -0.220 4.130 4.350 -0.001 0.000 0.268 252 T C 1.862 176.470 174.700 -0.154 0.000 1.034 252 T CA 1.823 63.916 62.100 -0.011 0.000 1.149 252 T CB -0.457 68.601 68.868 0.318 0.000 0.860 252 T HN 0.642 nan 8.240 nan 0.000 0.449 253 A N 1.906 124.622 122.820 -0.173 0.000 2.028 253 A HA 0.036 4.355 4.320 -0.001 0.000 0.213 253 A C 2.127 179.634 177.584 -0.128 0.000 1.486 253 A CA 1.054 52.990 52.037 -0.168 0.000 0.597 253 A CB -0.662 18.209 19.000 -0.214 0.000 1.089 253 A HN 0.302 nan 8.150 nan 0.000 0.489 254 K N -0.789 119.521 120.400 -0.150 0.000 2.159 254 K HA -0.310 4.009 4.320 -0.001 0.000 0.217 254 K C 1.869 178.324 176.600 -0.243 0.000 1.048 254 K CA 2.117 58.187 56.287 -0.363 0.000 0.941 254 K CB -0.970 31.103 32.500 -0.711 0.000 0.738 254 K HN 0.483 nan 8.250 nan 0.000 0.469 255 L N 1.147 122.229 121.223 -0.234 0.000 1.943 255 L HA -0.173 4.167 4.340 -0.001 0.000 0.215 255 L C 2.090 178.875 176.870 -0.141 0.000 1.074 255 L CA 1.562 56.295 54.840 -0.178 0.000 0.759 255 L CB -0.853 41.046 42.059 -0.268 0.000 0.888 255 L HN 0.134 nan 8.230 nan 0.000 0.433 256 L N 1.476 122.535 121.223 -0.275 0.000 2.661 256 L HA 0.060 4.400 4.340 -0.001 0.000 0.236 256 L C 1.468 178.161 176.870 -0.295 0.000 1.176 256 L CA 1.273 55.831 54.840 -0.469 0.000 0.836 256 L CB -1.643 39.914 42.059 -0.837 0.000 0.960 256 L HN 0.725 nan 8.230 nan 0.000 0.455 257 G N -1.917 106.908 108.800 0.043 0.000 2.273 257 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.280 257 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.280 257 G C 0.409 175.652 174.900 0.572 0.000 1.047 257 G CA 0.644 45.944 45.100 0.333 0.000 0.869 257 G HN 0.426 nan 8.290 nan 0.000 0.502 258 F N -0.828 119.172 119.950 0.084 0.000 2.908 258 F HA 0.762 5.288 4.527 -0.001 0.000 0.355 258 F C 0.924 176.605 175.800 -0.198 0.000 1.367 258 F CA -0.642 57.339 58.000 -0.031 0.000 1.086 258 F CB 1.681 40.652 39.000 -0.048 0.000 1.702 258 F HN 0.128 nan 8.300 nan 0.000 0.463 259 T N 0.271 114.747 114.554 -0.129 0.000 2.894 259 T HA 0.180 4.530 4.350 -0.001 0.000 0.309 259 T C -2.302 172.172 174.700 -0.377 0.000 1.208 259 T CA -1.149 60.576 62.100 -0.625 0.000 1.016 259 T CB 1.982 70.397 68.868 -0.755 0.000 1.192 259 T HN 0.168 nan 8.240 nan 0.000 0.491 260 P HA -0.130 nan 4.420 nan 0.000 0.223 260 P C 1.309 178.573 177.300 -0.059 0.000 1.140 260 P CA 1.171 64.081 63.100 -0.317 0.000 0.783 260 P CB -0.162 31.381 31.700 -0.262 0.000 0.759 261 G N 0.409 109.142 108.800 -0.112 0.000 2.490 261 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.211 261 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.211 261 G C 1.405 176.305 174.900 -0.001 0.000 1.159 261 G CA -0.020 45.060 45.100 -0.033 0.000 0.819 261 G HN 0.189 nan 8.290 nan 0.000 0.539 262 E N 0.344 120.499 120.200 -0.075 0.000 2.396 262 E HA -0.017 4.332 4.350 -0.001 0.000 0.200 262 E C 2.134 178.896 176.600 0.269 0.000 1.023 262 E CA 0.489 56.822 56.400 -0.110 0.000 0.857 262 E CB 0.078 29.488 29.700 -0.483 0.000 0.775 262 E HN 0.441 nan 8.360 nan 0.000 0.525 263 L N 0.035 121.437 121.223 0.297 0.000 2.433 263 L HA 0.076 4.416 4.340 -0.001 0.000 0.200 263 L C 2.509 179.633 176.870 0.423 0.000 1.059 263 L CA 0.150 55.256 54.840 0.443 0.000 0.835 263 L CB -0.215 42.038 42.059 0.322 0.000 1.076 263 L HN 0.013 nan 8.230 nan 0.000 0.481 264 R N 0.060 120.769 120.500 0.348 0.000 2.303 264 R HA -0.108 4.231 4.340 -0.001 0.000 0.225 264 R C 1.855 178.277 176.300 0.202 0.000 1.114 264 R CA 1.163 57.431 56.100 0.281 0.000 1.007 264 R CB -0.435 29.993 30.300 0.214 0.000 0.861 264 R HN 0.217 nan 8.270 nan 0.000 0.471 265 S N 0.957 116.788 115.700 0.218 0.000 2.269 265 S HA -0.115 4.354 4.470 -0.001 0.000 0.167 265 S C -0.075 174.631 174.600 0.177 0.000 1.319 265 S CA -0.277 58.015 58.200 0.153 0.000 2.086 265 S CB -0.402 62.911 63.200 0.187 0.000 0.582 265 S HN 0.367 nan 8.310 nan 0.000 0.360 266 Y N 2.617 122.946 120.300 0.048 0.000 2.787 266 Y HA 0.320 4.869 4.550 -0.001 0.000 0.400 266 Y C 0.470 176.394 175.900 0.040 0.000 1.388 266 Y CA 0.295 58.382 58.100 -0.023 0.000 1.814 266 Y CB -0.702 37.659 38.460 -0.165 0.000 1.241 266 Y HN 0.383 nan 8.280 nan 0.000 0.483 267 L N 1.756 123.048 121.223 0.115 0.000 2.599 267 L HA 0.392 4.731 4.340 -0.001 0.000 0.292 267 L C 0.215 177.100 176.870 0.025 0.000 0.753 267 L CA -0.360 54.542 54.840 0.102 0.000 1.134 267 L CB 0.494 42.644 42.059 0.152 0.000 1.670 267 L HN 0.451 nan 8.230 nan 0.000 0.337 268 K N -2.170 118.238 120.400 0.014 0.000 0.935 268 K HA 0.030 4.350 4.320 -0.001 0.000 0.060 268 K C 0.647 177.229 176.600 -0.030 0.000 2.436 268 K CA 0.917 57.199 56.287 -0.009 0.000 0.971 268 K CB -1.276 31.196 32.500 -0.047 0.000 2.719 268 K HN 0.830 nan 8.250 nan 0.000 0.315 269 G N 0.948 109.658 108.800 -0.150 0.000 2.593 269 G HA2 0.462 4.422 3.960 -0.001 0.000 0.212 269 G HA3 0.462 4.422 3.960 -0.001 0.000 0.212 269 G C 0.268 175.174 174.900 0.010 0.000 1.934 269 G CA 0.663 45.586 45.100 -0.295 0.000 0.861 269 G HN 1.049 nan 8.290 nan 0.000 0.629 270 A N -0.982 121.861 122.820 0.039 0.000 1.888 270 A HA 0.155 4.474 4.320 -0.001 0.000 0.243 270 A C 0.073 177.813 177.584 0.261 0.000 1.351 270 A CA 0.869 53.022 52.037 0.194 0.000 0.702 270 A CB -2.054 17.047 19.000 0.168 0.000 1.185 270 A HN 1.194 nan 8.150 nan 0.000 0.265 271 T N 1.821 116.554 114.554 0.299 0.000 3.050 271 T HA 0.625 4.974 4.350 -0.001 0.000 0.310 271 T C 0.656 175.517 174.700 0.268 0.000 0.978 271 T CA 0.119 62.381 62.100 0.270 0.000 1.013 271 T CB 1.523 70.542 68.868 0.251 0.000 1.000 271 T HN 1.754 nan 8.240 nan 0.000 0.447 272 G N 0.706 109.689 108.800 0.305 0.000 2.580 272 G HA2 0.470 4.430 3.960 -0.001 0.000 0.278 272 G HA3 0.470 4.430 3.960 -0.001 0.000 0.278 272 G C -0.956 174.154 174.900 0.350 0.000 1.212 272 G CA -0.307 45.022 45.100 0.382 0.000 0.939 272 G HN 0.737 nan 8.290 nan 0.000 0.513 273 H N -0.853 118.414 119.070 0.328 0.000 2.638 273 H HA 0.434 4.989 4.556 -0.001 0.000 0.317 273 H C 1.094 176.624 175.328 0.336 0.000 1.006 273 H CA 0.130 56.399 56.048 0.368 0.000 1.222 273 H CB 0.799 30.898 29.762 0.562 0.000 1.419 273 H HN 0.881 nan 8.280 nan 0.000 0.489 274 S N 2.628 118.334 115.700 0.010 0.000 4.157 274 S HA -0.482 3.988 4.470 -0.001 0.000 0.538 274 S C 1.695 176.368 174.600 0.122 0.000 1.717 274 S CA 1.591 59.849 58.200 0.096 0.000 4.089 274 S CB -1.112 62.198 63.200 0.183 0.000 1.082 274 S HN 0.775 nan 8.310 nan 0.000 0.457 275 Q N 3.161 123.071 119.800 0.183 0.000 2.541 275 Q HA 0.209 4.548 4.340 -0.001 0.000 0.215 275 Q C 1.689 177.796 176.000 0.179 0.000 0.977 275 Q CA 0.924 56.838 55.803 0.185 0.000 0.934 275 Q CB -0.860 28.061 28.738 0.305 0.000 0.988 275 Q HN 0.809 nan 8.270 nan 0.000 0.521 276 G N -0.322 108.607 108.800 0.215 0.000 2.850 276 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.211 276 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.211 276 G C 0.993 176.035 174.900 0.237 0.000 1.124 276 G CA -0.132 45.139 45.100 0.285 0.000 0.769 276 G HN 0.322 nan 8.290 nan 0.000 0.535 277 L N 0.973 122.303 121.223 0.179 0.000 2.023 277 L HA 0.107 4.446 4.340 -0.001 0.000 0.205 277 L C 2.828 179.724 176.870 0.044 0.000 1.073 277 L CA 1.283 56.203 54.840 0.132 0.000 0.745 277 L CB -0.486 41.647 42.059 0.123 0.000 0.900 277 L HN 0.028 nan 8.230 nan 0.000 0.435 278 V N -0.390 119.541 119.914 0.028 0.000 2.428 278 V HA -0.391 3.729 4.120 -0.001 0.000 0.255 278 V C 2.414 178.460 176.094 -0.080 0.000 1.080 278 V CA 2.274 64.564 62.300 -0.016 0.000 1.083 278 V CB -1.148 30.675 31.823 0.001 0.000 0.665 278 V HN 0.578 nan 8.190 nan 0.000 0.461 279 T N -0.369 114.106 114.554 -0.132 0.000 2.809 279 T HA -0.018 4.331 4.350 -0.001 0.000 0.260 279 T C 2.083 176.482 174.700 -0.502 0.000 1.039 279 T CA 1.280 63.166 62.100 -0.356 0.000 1.141 279 T CB -0.354 68.188 68.868 -0.543 0.000 0.869 279 T HN 0.587 nan 8.240 nan 0.000 0.437 280 A N 1.488 124.087 122.820 -0.369 0.000 1.859 280 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 280 A C 2.477 179.994 177.584 -0.111 0.000 1.209 280 A CA 1.990 53.920 52.037 -0.178 0.000 0.639 280 A CB -1.386 17.680 19.000 0.111 0.000 0.835 280 A HN 0.292 nan 8.150 nan 0.000 0.450 281 V N -0.255 119.628 119.914 -0.052 0.000 2.239 281 V HA -0.361 3.758 4.120 -0.001 0.000 0.246 281 V C 2.959 179.022 176.094 -0.051 0.000 1.037 281 V CA 2.640 64.922 62.300 -0.031 0.000 1.012 281 V CB -1.425 30.377 31.823 -0.035 0.000 0.650 281 V HN 0.727 nan 8.190 nan 0.000 0.467 282 A N -1.228 121.542 122.820 -0.083 0.000 2.255 282 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 282 A C 2.039 179.616 177.584 -0.012 0.000 1.175 282 A CA 2.047 54.044 52.037 -0.067 0.000 0.682 282 A CB -0.676 18.271 19.000 -0.088 0.000 0.784 282 A HN 0.624 nan 8.150 nan 0.000 0.482 283 I N -1.794 118.734 120.570 -0.070 0.000 2.927 283 I HA -0.053 4.117 4.170 -0.001 0.000 0.268 283 I C 2.806 178.961 176.117 0.063 0.000 1.153 283 I CA 0.633 61.911 61.300 -0.037 0.000 1.459 283 I CB -0.311 37.447 38.000 -0.403 0.000 1.149 283 I HN 0.353 nan 8.210 nan 0.000 0.443 284 A N 1.626 124.466 122.820 0.033 0.000 1.870 284 A HA -0.234 4.086 4.320 -0.001 0.000 0.219 284 A C 0.928 178.580 177.584 0.114 0.000 1.224 284 A CA 1.834 53.919 52.037 0.079 0.000 0.650 284 A CB -0.890 18.150 19.000 0.066 0.000 0.836 284 A HN 0.539 nan 8.150 nan 0.000 0.454 285 E N 0.363 120.628 120.200 0.108 0.000 1.993 285 E HA 0.535 4.885 4.350 -0.001 0.000 0.271 285 E C -1.000 175.691 176.600 0.152 0.000 1.008 285 E CA -0.047 56.425 56.400 0.120 0.000 0.814 285 E CB 0.321 30.089 29.700 0.114 0.000 1.098 285 E HN 0.123 nan 8.360 nan 0.000 0.407 286 T N 2.401 117.055 114.554 0.167 0.000 3.293 286 T HA 0.164 4.513 4.350 -0.001 0.000 0.320 286 T C -0.604 174.166 174.700 0.116 0.000 0.995 286 T CA -0.861 61.361 62.100 0.203 0.000 1.041 286 T CB 1.731 70.807 68.868 0.346 0.000 1.058 286 T HN 0.415 nan 8.240 nan 0.000 0.453 287 D N 2.200 122.642 120.400 0.070 0.000 2.384 287 D HA 0.135 4.774 4.640 -0.001 0.000 0.268 287 D C 1.139 177.352 176.300 -0.145 0.000 1.288 287 D CA 0.382 54.365 54.000 -0.028 0.000 1.013 287 D CB 0.440 41.227 40.800 -0.020 0.000 0.919 287 D HN 0.577 nan 8.370 nan 0.000 0.270 288 S N -0.937 114.675 115.700 -0.147 0.000 2.681 288 S HA 0.134 4.604 4.470 -0.001 0.000 0.270 288 S C 0.862 175.364 174.600 -0.163 0.000 1.209 288 S CA -0.739 57.284 58.200 -0.295 0.000 0.988 288 S CB 0.413 63.498 63.200 -0.190 0.000 1.006 288 S HN 0.447 nan 8.310 nan 0.000 0.558 289 W N 0.993 122.251 121.300 -0.070 0.000 3.316 289 W HA 0.158 4.818 4.660 -0.001 0.000 0.258 289 W C 0.983 177.343 176.519 -0.265 0.000 1.330 289 W CA -0.086 57.175 57.345 -0.141 0.000 1.595 289 W CB -1.067 28.248 29.460 -0.241 0.000 1.088 289 W HN 0.779 nan 8.180 nan 0.000 0.734 290 E N -0.659 119.566 120.200 0.041 0.000 2.244 290 E HA -0.065 4.285 4.350 -0.001 0.000 0.196 290 E C 2.150 178.798 176.600 0.081 0.000 0.939 290 E CA 1.179 57.598 56.400 0.031 0.000 0.884 290 E CB -0.531 29.194 29.700 0.042 0.000 0.850 290 E HN 0.176 nan 8.360 nan 0.000 0.481 291 S N 0.992 116.751 115.700 0.099 0.000 2.387 291 S HA -0.066 4.403 4.470 -0.001 0.000 0.221 291 S C 1.980 176.695 174.600 0.191 0.000 1.041 291 S CA 0.181 58.462 58.200 0.135 0.000 0.959 291 S CB -0.781 62.486 63.200 0.111 0.000 0.843 291 S HN 0.167 nan 8.310 nan 0.000 0.488 292 F N 2.148 122.134 119.950 0.061 0.000 2.214 292 F HA -0.099 4.427 4.527 -0.001 0.000 0.302 292 F C 1.517 177.470 175.800 0.255 0.000 1.063 292 F CA 0.809 58.881 58.000 0.120 0.000 1.319 292 F CB -0.653 38.404 39.000 0.096 0.000 1.046 292 F HN 0.247 nan 8.300 nan 0.000 0.505 293 F N -0.455 119.380 119.950 -0.193 0.000 2.009 293 F HA -0.228 4.298 4.527 -0.001 0.000 0.293 293 F C 2.350 178.141 175.800 -0.016 0.000 1.156 293 F CA 1.171 58.965 58.000 -0.343 0.000 1.168 293 F CB -0.727 38.017 39.000 -0.428 0.000 0.981 293 F HN -0.318 nan 8.300 nan 0.000 0.475 294 V N -0.420 119.669 119.914 0.293 0.000 2.546 294 V HA -0.335 3.784 4.120 -0.001 0.000 0.254 294 V C 2.326 178.504 176.094 0.140 0.000 1.076 294 V CA 1.844 64.286 62.300 0.237 0.000 1.087 294 V CB -0.990 30.952 31.823 0.198 0.000 0.674 294 V HN 0.433 nan 8.190 nan 0.000 0.470 295 S N 0.030 115.796 115.700 0.110 0.000 2.374 295 S HA -0.195 4.275 4.470 -0.001 0.000 0.227 295 S C 1.907 176.503 174.600 -0.007 0.000 1.037 295 S CA 2.162 60.394 58.200 0.053 0.000 1.024 295 S CB -0.221 63.035 63.200 0.092 0.000 0.861 295 S HN 0.419 nan 8.310 nan 0.000 0.456 296 V N 2.210 122.113 119.914 -0.019 0.000 2.379 296 V HA -0.043 4.077 4.120 -0.001 0.000 0.245 296 V C 2.628 178.700 176.094 -0.037 0.000 1.044 296 V CA 1.866 64.154 62.300 -0.019 0.000 1.036 296 V CB -0.946 30.892 31.823 0.025 0.000 0.664 296 V HN 0.502 nan 8.190 nan 0.000 0.453 297 R N 0.719 121.208 120.500 -0.018 0.000 2.165 297 R HA -0.285 4.054 4.340 -0.001 0.000 0.254 297 R C 2.206 178.441 176.300 -0.109 0.000 1.153 297 R CA 2.146 58.169 56.100 -0.128 0.000 0.971 297 R CB -0.213 30.057 30.300 -0.050 0.000 0.878 297 R HN 0.581 nan 8.270 nan 0.000 0.449 298 K N 0.052 120.398 120.400 -0.090 0.000 1.968 298 K HA -0.130 4.189 4.320 -0.001 0.000 0.222 298 K C 2.176 178.721 176.600 -0.091 0.000 1.043 298 K CA 1.378 57.587 56.287 -0.131 0.000 0.991 298 K CB -0.599 31.777 32.500 -0.207 0.000 0.744 298 K HN 0.216 nan 8.250 nan 0.000 0.445 299 A N 1.861 124.633 122.820 -0.080 0.000 1.916 299 A HA -0.301 4.019 4.320 -0.001 0.000 0.224 299 A C 2.255 179.838 177.584 -0.002 0.000 1.366 299 A CA 2.416 54.427 52.037 -0.044 0.000 0.692 299 A CB -1.341 17.634 19.000 -0.043 0.000 0.841 299 A HN 0.373 nan 8.150 nan 0.000 0.480 300 I N -1.034 119.527 120.570 -0.015 0.000 2.053 300 I HA -0.311 3.858 4.170 -0.001 0.000 0.236 300 I C 2.644 178.814 176.117 0.089 0.000 1.038 300 I CA 2.226 63.535 61.300 0.015 0.000 1.304 300 I CB -1.233 36.717 38.000 -0.083 0.000 1.023 300 I HN 0.363 nan 8.210 nan 0.000 0.395 301 T N 0.928 115.489 114.554 0.011 0.000 2.778 301 T HA -0.142 4.207 4.350 -0.001 0.000 0.269 301 T C 1.838 176.688 174.700 0.249 0.000 1.050 301 T CA 1.270 63.417 62.100 0.079 0.000 1.137 301 T CB -0.496 68.337 68.868 -0.058 0.000 0.860 301 T HN 0.119 nan 8.240 nan 0.000 0.468 302 V N 1.865 121.849 119.914 0.117 0.000 2.231 302 V HA -0.181 3.938 4.120 -0.001 0.000 0.239 302 V C 2.514 178.714 176.094 0.176 0.000 1.035 302 V CA 1.746 64.109 62.300 0.105 0.000 0.989 302 V CB -1.000 30.837 31.823 0.023 0.000 0.636 302 V HN 0.413 nan 8.190 nan 0.000 0.457 303 L N -0.837 120.464 121.223 0.129 0.000 2.064 303 L HA -0.292 4.048 4.340 -0.001 0.000 0.216 303 L C 2.378 179.346 176.870 0.163 0.000 1.077 303 L CA 2.260 57.171 54.840 0.119 0.000 0.766 303 L CB -0.860 41.270 42.059 0.118 0.000 0.890 303 L HN 0.429 nan 8.230 nan 0.000 0.435 304 F N 0.660 120.668 119.950 0.096 0.000 2.008 304 F HA -0.346 4.181 4.527 -0.001 0.000 0.297 304 F C 2.306 178.163 175.800 0.095 0.000 1.156 304 F CA 1.934 59.995 58.000 0.100 0.000 1.191 304 F CB -0.639 38.420 39.000 0.098 0.000 0.955 304 F HN -0.173 nan 8.300 nan 0.000 0.497 305 F N 0.837 120.998 119.950 0.353 0.000 2.192 305 F HA -0.235 4.291 4.527 -0.001 0.000 0.301 305 F C 2.146 177.952 175.800 0.010 0.000 1.079 305 F CA 1.758 59.865 58.000 0.178 0.000 1.303 305 F CB -0.684 38.446 39.000 0.216 0.000 1.024 305 F HN 0.046 nan 8.300 nan 0.000 0.494 306 I N -0.799 119.861 120.570 0.150 0.000 2.113 306 I HA -0.247 3.922 4.170 -0.001 0.000 0.238 306 I C 2.829 178.917 176.117 -0.048 0.000 1.070 306 I CA 1.470 62.781 61.300 0.018 0.000 1.332 306 I CB -1.549 36.419 38.000 -0.053 0.000 1.044 306 I HN 0.161 nan 8.210 nan 0.000 0.402 307 G N 1.271 110.031 108.800 -0.067 0.000 2.545 307 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.217 307 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.217 307 G C 1.712 176.563 174.900 -0.081 0.000 1.218 307 G CA 1.458 46.518 45.100 -0.067 0.000 0.787 307 G HN 0.249 nan 8.290 nan 0.000 0.571 308 V N 1.029 120.804 119.914 -0.231 0.000 2.313 308 V HA -0.269 3.850 4.120 -0.001 0.000 0.253 308 V C 3.019 179.072 176.094 -0.067 0.000 1.070 308 V CA 2.322 64.483 62.300 -0.232 0.000 1.057 308 V CB -0.506 30.983 31.823 -0.557 0.000 0.653 308 V HN 0.285 nan 8.190 nan 0.000 0.450 309 R N -0.814 119.662 120.500 -0.040 0.000 2.066 309 R HA 0.025 4.364 4.340 -0.001 0.000 0.224 309 R C 2.309 178.637 176.300 0.048 0.000 1.122 309 R CA 1.531 57.649 56.100 0.031 0.000 0.974 309 R CB -1.436 28.907 30.300 0.071 0.000 0.871 309 R HN 0.525 nan 8.270 nan 0.000 0.435 310 C N 0.585 119.898 119.300 0.022 0.000 2.403 310 C HA -0.146 4.314 4.460 -0.001 0.000 0.279 310 C C 2.506 177.528 174.990 0.054 0.000 1.269 310 C CA 0.314 59.337 59.018 0.009 0.000 1.774 310 C CB -1.286 26.416 27.740 -0.064 0.000 1.993 310 C HN 0.444 nan 8.230 nan 0.000 0.496 311 Y N 1.818 122.091 120.300 -0.044 0.000 2.274 311 Y HA -0.147 4.403 4.550 -0.001 0.000 0.290 311 Y C 2.196 178.082 175.900 -0.023 0.000 1.145 311 Y CA 1.690 59.761 58.100 -0.048 0.000 1.203 311 Y CB -0.312 38.097 38.460 -0.085 0.000 0.984 311 Y HN 0.430 nan 8.280 nan 0.000 0.533 312 E N -0.263 120.011 120.200 0.124 0.000 2.511 312 E HA 0.013 4.362 4.350 -0.001 0.000 0.196 312 E C 1.717 178.335 176.600 0.029 0.000 1.066 312 E CA 0.225 56.671 56.400 0.077 0.000 0.871 312 E CB 0.044 29.800 29.700 0.094 0.000 0.863 312 E HN 0.557 nan 8.360 nan 0.000 0.520 313 A N 1.145 123.974 122.820 0.015 0.000 1.991 313 A HA -0.041 4.279 4.320 -0.001 0.000 0.217 313 A C 0.480 178.118 177.584 0.089 0.000 1.487 313 A CA 0.721 52.785 52.037 0.045 0.000 0.603 313 A CB -0.129 18.901 19.000 0.051 0.000 1.112 313 A HN 0.324 nan 8.150 nan 0.000 0.492 314 Y N 1.888 122.130 120.300 -0.097 0.000 2.748 314 Y HA 0.405 4.955 4.550 -0.001 0.000 0.359 314 Y C -2.535 173.248 175.900 -0.195 0.000 1.030 314 Y CA -3.647 54.386 58.100 -0.111 0.000 1.169 314 Y CB 0.427 38.849 38.460 -0.064 0.000 1.127 314 Y HN 0.240 nan 8.280 nan 0.000 0.644 315 P HA 0.042 nan 4.420 nan 0.000 0.271 315 P C -0.725 176.193 177.300 -0.637 0.000 1.244 315 P CA -0.112 62.542 63.100 -0.744 0.000 0.793 315 P CB 1.028 32.124 31.700 -1.007 0.000 0.984 316 N N -0.191 118.193 118.700 -0.525 0.000 2.206 316 N HA -0.034 4.705 4.740 -0.001 0.000 0.283 316 N C 0.047 175.394 175.510 -0.271 0.000 1.385 316 N CA 0.360 53.215 53.050 -0.325 0.000 1.002 316 N CB -0.548 37.830 38.487 -0.182 0.000 1.423 316 N HN 0.353 nan 8.380 nan 0.000 0.488 317 T N 1.718 116.055 114.554 -0.361 0.000 2.884 317 T HA 0.037 4.387 4.350 -0.001 0.000 0.298 317 T C 0.490 175.116 174.700 -0.125 0.000 0.998 317 T CA -0.416 61.528 62.100 -0.260 0.000 1.124 317 T CB 0.541 69.223 68.868 -0.309 0.000 0.931 317 T HN 0.282 nan 8.240 nan 0.000 0.531 318 S N 3.920 119.579 115.700 -0.069 0.000 2.752 318 S HA 0.015 4.485 4.470 -0.001 0.000 0.329 318 S C 0.319 174.901 174.600 -0.030 0.000 1.204 318 S CA -0.537 57.642 58.200 -0.034 0.000 1.252 318 S CB -0.597 62.591 63.200 -0.020 0.000 1.053 318 S HN 0.526 nan 8.310 nan 0.000 0.533 319 L N 6.782 127.985 121.223 -0.034 0.000 2.540 319 L HA 0.242 4.581 4.340 -0.001 0.000 0.276 319 L C -1.861 174.996 176.870 -0.021 0.000 1.212 319 L CA -0.987 53.834 54.840 -0.030 0.000 0.893 319 L CB -0.144 41.894 42.059 -0.037 0.000 1.138 319 L HN 0.311 nan 8.230 nan 0.000 0.491 320 P HA 0.253 nan 4.420 nan 0.000 0.287 320 P C -2.441 174.846 177.300 -0.023 0.000 1.294 320 P CA -1.509 61.586 63.100 -0.009 0.000 0.776 320 P CB 0.985 32.689 31.700 0.008 0.000 0.889 321 P HA -0.149 nan 4.420 nan 0.000 0.217 321 P C 1.347 178.629 177.300 -0.029 0.000 1.150 321 P CA 1.087 64.170 63.100 -0.028 0.000 0.832 321 P CB -0.105 31.583 31.700 -0.020 0.000 0.787 322 S N -0.223 115.469 115.700 -0.014 0.000 2.444 322 S HA -0.166 4.304 4.470 -0.001 0.000 0.244 322 S C 1.925 176.518 174.600 -0.011 0.000 1.025 322 S CA 1.277 59.477 58.200 -0.001 0.000 0.995 322 S CB -0.719 62.491 63.200 0.017 0.000 0.781 322 S HN 0.252 nan 8.310 nan 0.000 0.496 323 I N -0.693 119.847 120.570 -0.049 0.000 3.443 323 I HA 0.063 4.232 4.170 -0.001 0.000 0.277 323 I C 1.895 177.894 176.117 -0.197 0.000 1.169 323 I CA 0.085 61.295 61.300 -0.149 0.000 1.419 323 I CB -0.209 37.672 38.000 -0.197 0.000 1.331 323 I HN 0.178 nan 8.210 nan 0.000 0.458 324 L N 1.822 122.969 121.223 -0.128 0.000 2.123 324 L HA -0.289 4.051 4.340 -0.001 0.000 0.217 324 L C 2.073 178.884 176.870 -0.098 0.000 1.081 324 L CA 2.094 56.872 54.840 -0.103 0.000 0.772 324 L CB -0.638 41.385 42.059 -0.061 0.000 0.890 324 L HN 0.230 nan 8.230 nan 0.000 0.437 325 E N -0.233 119.918 120.200 -0.082 0.000 1.997 325 E HA -0.217 4.132 4.350 -0.001 0.000 0.196 325 E C 2.036 178.593 176.600 -0.073 0.000 0.990 325 E CA 1.444 57.807 56.400 -0.061 0.000 0.845 325 E CB -0.732 28.945 29.700 -0.038 0.000 0.795 325 E HN 0.565 nan 8.360 nan 0.000 0.479 326 D N -0.364 119.998 120.400 -0.062 0.000 2.191 326 D HA -0.247 4.392 4.640 -0.001 0.000 0.190 326 D C 1.946 178.206 176.300 -0.067 0.000 1.007 326 D CA 2.378 56.359 54.000 -0.031 0.000 0.865 326 D CB -0.365 40.462 40.800 0.045 0.000 0.929 326 D HN 0.279 nan 8.370 nan 0.000 0.447 327 S N 0.023 115.590 115.700 -0.223 0.000 2.382 327 S HA -0.129 4.340 4.470 -0.001 0.000 0.228 327 S C 2.437 176.971 174.600 -0.111 0.000 1.027 327 S CA 0.592 58.652 58.200 -0.233 0.000 0.991 327 S CB -0.730 62.219 63.200 -0.418 0.000 0.823 327 S HN 0.404 nan 8.310 nan 0.000 0.469 328 L N 0.724 121.889 121.223 -0.097 0.000 2.465 328 L HA 0.079 4.418 4.340 -0.001 0.000 0.224 328 L C 2.638 179.478 176.870 -0.050 0.000 1.145 328 L CA 0.925 55.726 54.840 -0.065 0.000 0.834 328 L CB -0.201 41.826 42.059 -0.054 0.000 0.944 328 L HN 0.448 nan 8.230 nan 0.000 0.451 329 E N -0.414 119.760 120.200 -0.044 0.000 2.075 329 E HA -0.189 4.161 4.350 -0.001 0.000 0.190 329 E C 1.530 178.111 176.600 -0.031 0.000 0.969 329 E CA 0.728 57.109 56.400 -0.031 0.000 0.815 329 E CB 0.001 29.688 29.700 -0.020 0.000 0.776 329 E HN 0.541 nan 8.360 nan 0.000 0.457 330 N N 0.908 119.592 118.700 -0.026 0.000 2.430 330 N HA -0.200 4.539 4.740 -0.001 0.000 0.186 330 N C 0.534 176.012 175.510 -0.053 0.000 1.032 330 N CA 0.790 53.820 53.050 -0.032 0.000 0.893 330 N CB 0.012 38.491 38.487 -0.014 0.000 0.957 330 N HN 0.182 nan 8.380 nan 0.000 0.442 331 N N -0.860 117.805 118.700 -0.059 0.000 2.925 331 N HA -0.182 4.557 4.740 -0.001 0.000 0.244 331 N C -0.000 175.446 175.510 -0.106 0.000 1.000 331 N CA 0.587 53.596 53.050 -0.069 0.000 0.895 331 N CB -0.952 37.501 38.487 -0.057 0.000 1.119 331 N HN 0.462 nan 8.380 nan 0.000 0.569 332 E N 0.250 120.365 120.200 -0.142 0.000 2.085 332 E HA -0.038 4.311 4.350 -0.001 0.000 0.194 332 E C 1.486 177.925 176.600 -0.269 0.000 0.994 332 E CA 1.168 57.401 56.400 -0.278 0.000 0.801 332 E CB -0.199 29.302 29.700 -0.333 0.000 0.743 332 E HN 0.616 nan 8.360 nan 0.000 0.453 333 G N 0.246 108.964 108.800 -0.138 0.000 2.632 333 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.224 333 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.224 333 G C -0.049 174.898 174.900 0.078 0.000 1.341 333 G CA -0.506 44.566 45.100 -0.047 0.000 0.880 333 G HN 0.335 nan 8.290 nan 0.000 0.566 334 V N 1.577 121.549 119.914 0.097 0.000 3.175 334 V HA -0.087 4.032 4.120 -0.001 0.000 0.269 334 V C 0.407 176.717 176.094 0.359 0.000 1.013 334 V CA 1.117 63.505 62.300 0.148 0.000 1.161 334 V CB -0.640 31.252 31.823 0.114 0.000 0.746 334 V HN 0.828 nan 8.190 nan 0.000 0.424 335 P HA -0.221 nan 4.420 nan 0.000 0.219 335 P C 0.909 177.988 177.300 -0.368 0.000 1.145 335 P CA 1.333 64.530 63.100 0.162 0.000 0.813 335 P CB 0.102 31.799 31.700 -0.005 0.000 0.771 336 S N 1.463 117.067 115.700 -0.160 0.000 4.609 336 S HA -0.122 4.348 4.470 -0.001 0.000 0.546 336 S C -1.678 172.657 174.600 -0.442 0.000 1.001 336 S CA -0.282 57.782 58.200 -0.226 0.000 1.031 336 S CB -0.369 62.806 63.200 -0.042 0.000 1.782 336 S HN 0.180 nan 8.310 nan 0.000 0.374 337 P HA 0.168 nan 4.420 nan 0.000 0.235 337 P C -0.239 176.971 177.300 -0.151 0.000 1.720 337 P CA 0.407 63.385 63.100 -0.203 0.000 1.003 337 P CB -0.676 30.972 31.700 -0.087 0.000 1.968 338 M N 2.074 121.543 119.600 -0.217 0.000 2.394 338 M HA 0.203 4.683 4.480 -0.001 0.000 0.267 338 M C -2.228 174.104 176.300 0.054 0.000 0.992 338 M CA -0.769 54.499 55.300 -0.054 0.000 0.858 338 M CB 1.429 34.018 32.600 -0.019 0.000 2.027 338 M HN -0.020 nan 8.290 nan 0.000 0.508 339 L N 3.071 124.404 121.223 0.182 0.000 2.370 339 L HA 0.852 5.191 4.340 -0.001 0.000 0.266 339 L C -1.016 175.986 176.870 0.221 0.000 1.002 339 L CA 0.131 55.214 54.840 0.403 0.000 0.818 339 L CB 2.453 44.832 42.059 0.535 0.000 1.325 339 L HN 0.625 nan 8.230 nan 0.000 0.418 340 S N 4.698 120.505 115.700 0.178 0.000 2.921 340 S HA 0.451 4.920 4.470 -0.001 0.000 0.244 340 S C 0.204 174.849 174.600 0.076 0.000 1.291 340 S CA -0.596 57.658 58.200 0.091 0.000 1.010 340 S CB -0.789 62.442 63.200 0.052 0.000 1.255 340 S HN 0.586 nan 8.310 nan 0.000 0.492 341 I N 3.784 124.407 120.570 0.089 0.000 2.397 341 I HA 0.038 4.207 4.170 -0.001 0.000 0.291 341 I C 1.333 177.457 176.117 0.012 0.000 1.125 341 I CA -0.209 61.145 61.300 0.089 0.000 1.961 341 I CB -0.757 37.316 38.000 0.122 0.000 1.508 341 I HN 0.529 nan 8.210 nan 0.000 0.886 342 S N 3.414 119.114 115.700 -0.000 0.000 2.687 342 S HA -0.140 4.330 4.470 -0.001 0.000 0.248 342 S C 0.967 175.507 174.600 -0.100 0.000 1.390 342 S CA 0.087 58.262 58.200 -0.042 0.000 0.963 342 S CB 0.141 63.323 63.200 -0.030 0.000 0.957 342 S HN 0.812 nan 8.310 nan 0.000 0.584 343 N N 0.205 118.847 118.700 -0.096 0.000 2.725 343 N HA -0.144 4.595 4.740 -0.001 0.000 0.280 343 N C -0.632 174.753 175.510 -0.208 0.000 1.017 343 N CA 1.065 54.041 53.050 -0.124 0.000 0.813 343 N CB -1.030 37.397 38.487 -0.100 0.000 0.931 343 N HN 0.491 nan 8.380 nan 0.000 0.570 344 L N -0.443 120.677 121.223 -0.172 0.000 2.995 344 L HA 0.477 4.816 4.340 -0.001 0.000 0.281 344 L C -0.687 176.112 176.870 -0.120 0.000 1.010 344 L CA -0.518 54.202 54.840 -0.199 0.000 1.019 344 L CB 1.631 43.508 42.059 -0.304 0.000 1.601 344 L HN 0.213 nan 8.230 nan 0.000 0.360 345 T N 0.337 114.823 114.554 -0.113 0.000 2.907 345 T HA 0.389 4.739 4.350 -0.001 0.000 0.292 345 T C -0.492 174.162 174.700 -0.076 0.000 1.043 345 T CA -0.291 61.762 62.100 -0.079 0.000 1.003 345 T CB 2.297 71.124 68.868 -0.068 0.000 1.084 345 T HN 0.488 nan 8.240 nan 0.000 0.483 346 Q N 0.798 120.567 119.800 -0.051 0.000 2.651 346 Q HA 0.071 4.411 4.340 -0.001 0.000 0.224 346 Q C 1.082 177.045 176.000 -0.063 0.000 1.094 346 Q CA 0.923 56.702 55.803 -0.041 0.000 1.018 346 Q CB 0.338 29.065 28.738 -0.019 0.000 1.292 346 Q HN 0.935 nan 8.270 nan 0.000 0.588 347 E N -1.125 119.040 120.200 -0.059 0.000 4.429 347 E HA -0.450 3.899 4.350 -0.001 0.000 0.185 347 E C 1.369 177.876 176.600 -0.155 0.000 1.272 347 E CA 1.959 58.312 56.400 -0.079 0.000 2.340 347 E CB -1.116 28.546 29.700 -0.063 0.000 1.837 347 E HN 0.811 nan 8.360 nan 0.000 0.389 348 Q N 0.300 119.990 119.800 -0.184 0.000 2.030 348 Q HA -0.140 4.200 4.340 -0.001 0.000 0.204 348 Q C 2.337 178.098 176.000 -0.398 0.000 0.986 348 Q CA 2.339 57.942 55.803 -0.333 0.000 0.843 348 Q CB -0.087 28.512 28.738 -0.233 0.000 0.904 348 Q HN 0.408 nan 8.270 nan 0.000 0.420 349 V N 0.900 120.715 119.914 -0.165 0.000 2.392 349 V HA -0.299 3.821 4.120 -0.001 0.000 0.249 349 V C 2.208 178.286 176.094 -0.027 0.000 1.059 349 V CA 1.982 64.265 62.300 -0.029 0.000 1.051 349 V CB -0.546 31.280 31.823 0.005 0.000 0.658 349 V HN 0.333 nan 8.190 nan 0.000 0.455 350 Q N 0.278 120.032 119.800 -0.077 0.000 1.890 350 Q HA -0.179 4.160 4.340 -0.001 0.000 0.208 350 Q C 2.024 177.989 176.000 -0.060 0.000 0.982 350 Q CA 2.081 57.856 55.803 -0.045 0.000 0.856 350 Q CB -0.740 27.972 28.738 -0.042 0.000 0.915 350 Q HN 0.580 nan 8.270 nan 0.000 0.427 351 D N -0.804 119.517 120.400 -0.132 0.000 2.600 351 D HA -0.293 4.346 4.640 -0.001 0.000 0.194 351 D C 1.931 178.243 176.300 0.020 0.000 1.040 351 D CA 2.256 56.189 54.000 -0.111 0.000 0.871 351 D CB -0.713 39.945 40.800 -0.236 0.000 0.973 351 D HN 0.449 nan 8.370 nan 0.000 0.470 352 Y N 0.796 121.113 120.300 0.029 0.000 2.053 352 Y HA -0.246 4.304 4.550 -0.001 0.000 0.277 352 Y C 2.874 178.780 175.900 0.011 0.000 1.159 352 Y CA 0.511 58.630 58.100 0.032 0.000 1.125 352 Y CB -0.658 37.840 38.460 0.062 0.000 0.969 352 Y HN -0.132 nan 8.280 nan 0.000 0.492 353 V N 0.805 120.826 119.914 0.179 0.000 2.233 353 V HA -0.410 3.709 4.120 -0.001 0.000 0.252 353 V C 1.935 178.046 176.094 0.028 0.000 1.063 353 V CA 2.048 64.395 62.300 0.079 0.000 1.032 353 V CB -0.793 31.055 31.823 0.042 0.000 0.645 353 V HN 0.491 nan 8.190 nan 0.000 0.446 354 N N 0.564 119.274 118.700 0.017 0.000 2.018 354 N HA -0.266 4.473 4.740 -0.001 0.000 0.197 354 N C 1.740 177.219 175.510 -0.051 0.000 1.071 354 N CA 2.133 55.173 53.050 -0.016 0.000 0.887 354 N CB -0.631 37.851 38.487 -0.008 0.000 1.077 354 N HN 0.504 nan 8.380 nan 0.000 0.469 355 K N 0.044 120.429 120.400 -0.025 0.000 2.169 355 K HA -0.224 4.096 4.320 -0.001 0.000 0.213 355 K C 2.102 178.585 176.600 -0.195 0.000 1.050 355 K CA 2.257 58.504 56.287 -0.066 0.000 0.935 355 K CB -0.554 31.990 32.500 0.073 0.000 0.722 355 K HN 0.408 nan 8.250 nan 0.000 0.468 356 T N 1.156 115.664 114.554 -0.075 0.000 2.643 356 T HA -0.124 4.226 4.350 -0.001 0.000 0.264 356 T C 1.584 176.198 174.700 -0.143 0.000 1.045 356 T CA 1.456 63.516 62.100 -0.066 0.000 1.155 356 T CB -0.386 68.476 68.868 -0.010 0.000 0.863 356 T HN 0.254 nan 8.240 nan 0.000 0.420 357 N N 1.418 120.045 118.700 -0.122 0.000 2.094 357 N HA -0.108 4.632 4.740 -0.001 0.000 0.191 357 N C 2.173 177.576 175.510 -0.178 0.000 1.023 357 N CA 1.331 54.313 53.050 -0.113 0.000 0.857 357 N CB -0.599 37.838 38.487 -0.083 0.000 1.013 357 N HN 0.313 nan 8.380 nan 0.000 0.426 358 S N 0.974 116.499 115.700 -0.292 0.000 2.426 358 S HA -0.225 4.245 4.470 -0.001 0.000 0.259 358 S C 1.508 175.931 174.600 -0.295 0.000 1.096 358 S CA 1.694 59.668 58.200 -0.377 0.000 1.219 358 S CB -0.724 62.077 63.200 -0.664 0.000 1.124 358 S HN 0.567 nan 8.310 nan 0.000 0.436 359 H N 0.058 119.129 119.070 0.002 0.000 2.525 359 H HA 0.346 4.901 4.556 -0.001 0.000 0.275 359 H C 0.750 176.076 175.328 -0.004 0.000 0.984 359 H CA 0.010 56.057 56.048 -0.001 0.000 1.264 359 H CB -0.477 29.282 29.762 -0.004 0.000 1.432 359 H HN 0.309 nan 8.280 nan 0.000 0.549 360 L N 3.254 124.488 121.223 0.018 0.000 2.453 360 L HA 0.124 4.464 4.340 -0.001 0.000 0.272 360 L C -1.885 174.984 176.870 -0.003 0.000 1.182 360 L CA -1.683 53.162 54.840 0.009 0.000 0.858 360 L CB 0.498 42.545 42.059 -0.020 0.000 1.120 360 L HN -0.092 nan 8.230 nan 0.000 0.474 361 P HA -0.022 nan 4.420 nan 0.000 0.268 361 P C 0.105 177.397 177.300 -0.013 0.000 1.208 361 P CA 0.020 63.118 63.100 -0.004 0.000 0.777 361 P CB 0.763 32.460 31.700 -0.006 0.000 0.875 362 A N 3.140 125.955 122.820 -0.008 0.000 1.869 362 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 362 A C 2.374 179.953 177.584 -0.009 0.000 1.203 362 A CA 2.582 54.618 52.037 -0.002 0.000 0.638 362 A CB -2.054 16.948 19.000 0.005 0.000 0.831 362 A HN 0.648 nan 8.150 nan 0.000 0.450 363 G N -0.547 108.237 108.800 -0.027 0.000 2.476 363 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.218 363 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.218 363 G C 1.545 176.394 174.900 -0.086 0.000 1.164 363 G CA 1.218 46.283 45.100 -0.058 0.000 0.768 363 G HN 0.622 nan 8.290 nan 0.000 0.560 364 K N 0.645 120.998 120.400 -0.079 0.000 2.525 364 K HA 0.102 4.422 4.320 -0.001 0.000 0.192 364 K C 1.202 177.767 176.600 -0.058 0.000 1.029 364 K CA -0.145 56.093 56.287 -0.082 0.000 1.029 364 K CB 0.115 32.582 32.500 -0.055 0.000 0.814 364 K HN 0.474 nan 8.250 nan 0.000 0.503 365 Q N 0.558 120.328 119.800 -0.051 0.000 2.700 365 Q HA 0.109 4.449 4.340 -0.001 0.000 0.232 365 Q C -0.320 175.617 176.000 -0.105 0.000 1.110 365 Q CA 0.212 55.976 55.803 -0.066 0.000 1.026 365 Q CB 0.771 29.478 28.738 -0.053 0.000 1.311 365 Q HN -0.102 nan 8.270 nan 0.000 0.583 366 V N 0.012 119.837 119.914 -0.149 0.000 2.888 366 V HA 0.242 4.362 4.120 -0.001 0.000 0.309 366 V C -0.626 175.303 176.094 -0.275 0.000 1.114 366 V CA -0.743 61.449 62.300 -0.179 0.000 0.940 366 V CB 2.011 33.791 31.823 -0.073 0.000 1.021 366 V HN 0.777 nan 8.190 nan 0.000 0.426 367 E N 2.677 122.693 120.200 -0.307 0.000 2.239 367 E HA 0.503 4.852 4.350 -0.001 0.000 0.261 367 E C -0.767 175.818 176.600 -0.024 0.000 1.016 367 E CA -0.815 55.447 56.400 -0.229 0.000 0.882 367 E CB 2.090 31.692 29.700 -0.163 0.000 1.190 367 E HN 0.705 nan 8.360 nan 0.000 0.415 368 I N 3.504 124.094 120.570 0.033 0.000 2.206 368 I HA 0.048 4.218 4.170 -0.001 0.000 0.292 368 I C 0.559 176.722 176.117 0.076 0.000 1.156 368 I CA 0.025 61.357 61.300 0.054 0.000 1.356 368 I CB -0.085 37.945 38.000 0.049 0.000 1.494 368 I HN 0.541 nan 8.210 nan 0.000 0.601 369 S N 5.498 121.253 115.700 0.091 0.000 2.407 369 S HA -0.202 4.267 4.470 -0.001 0.000 0.244 369 S C 0.796 175.419 174.600 0.038 0.000 1.077 369 S CA 1.516 59.786 58.200 0.117 0.000 1.159 369 S CB -0.293 62.988 63.200 0.135 0.000 1.045 369 S HN 0.597 nan 8.310 nan 0.000 0.438 370 L N -1.433 119.807 121.223 0.028 0.000 2.194 370 L HA 0.597 4.937 4.340 -0.001 0.000 0.248 370 L C -0.275 176.595 176.870 -0.001 0.000 1.071 370 L CA -0.677 54.162 54.840 -0.002 0.000 0.901 370 L CB 1.937 44.022 42.059 0.044 0.000 1.497 370 L HN -0.109 nan 8.230 nan 0.000 0.442 371 V N -0.335 119.575 119.914 -0.007 0.000 3.590 371 V HA 0.044 4.164 4.120 -0.001 0.000 0.389 371 V C -0.499 175.587 176.094 -0.014 0.000 1.545 371 V CA -0.654 61.638 62.300 -0.014 0.000 1.448 371 V CB 0.314 32.122 31.823 -0.025 0.000 1.105 371 V HN 0.791 nan 8.190 nan 0.000 0.537 372 N N 2.555 121.225 118.700 -0.049 0.000 2.458 372 N HA 0.373 5.113 4.740 -0.001 0.000 0.258 372 N C 0.613 176.025 175.510 -0.162 0.000 1.219 372 N CA 1.316 54.269 53.050 -0.163 0.000 0.902 372 N CB 1.170 39.416 38.487 -0.400 0.000 1.076 372 N HN 0.635 nan 8.380 nan 0.000 0.455 373 G N -0.097 108.613 108.800 -0.150 0.000 2.746 373 G HA2 0.074 4.034 3.960 -0.001 0.000 0.685 373 G HA3 0.074 4.034 3.960 -0.001 0.000 0.685 373 G C 0.365 175.238 174.900 -0.045 0.000 1.350 373 G CA -0.010 45.029 45.100 -0.102 0.000 0.837 373 G HN 0.922 nan 8.290 nan 0.000 0.564 374 A N -0.241 122.559 122.820 -0.034 0.000 2.147 374 A HA 0.351 4.671 4.320 -0.001 0.000 0.211 374 A C 1.988 179.553 177.584 -0.032 0.000 1.160 374 A CA 1.897 53.922 52.037 -0.021 0.000 0.781 374 A CB -0.164 18.829 19.000 -0.011 0.000 0.842 374 A HN 1.073 nan 8.150 nan 0.000 0.475 375 K N -0.811 119.562 120.400 -0.045 0.000 2.324 375 K HA 0.161 4.480 4.320 -0.001 0.000 0.222 375 K C -0.017 176.547 176.600 -0.060 0.000 1.107 375 K CA -0.359 55.894 56.287 -0.057 0.000 0.873 375 K CB -0.574 31.890 32.500 -0.061 0.000 1.270 375 K HN 0.174 nan 8.250 nan 0.000 0.456 376 N N 1.766 120.426 118.700 -0.065 0.000 2.167 376 N HA -0.103 4.636 4.740 -0.001 0.000 0.258 376 N C -0.475 175.008 175.510 -0.045 0.000 1.241 376 N CA 0.915 53.927 53.050 -0.063 0.000 0.829 376 N CB 0.439 38.871 38.487 -0.091 0.000 1.072 376 N HN 0.265 nan 8.380 nan 0.000 0.466 377 L N 2.042 123.252 121.223 -0.022 0.000 2.367 377 L HA 0.104 4.444 4.340 -0.001 0.000 0.263 377 L C -0.535 176.353 176.870 0.030 0.000 1.473 377 L CA -0.399 54.440 54.840 -0.001 0.000 0.807 377 L CB 1.125 43.184 42.059 -0.000 0.000 0.968 377 L HN 0.195 nan 8.230 nan 0.000 0.520 378 V N 1.250 121.185 119.914 0.034 0.000 2.928 378 V HA 0.114 4.234 4.120 -0.001 0.000 0.307 378 V C 0.459 176.598 176.094 0.076 0.000 1.105 378 V CA 0.266 62.605 62.300 0.066 0.000 1.223 378 V CB 1.255 33.120 31.823 0.069 0.000 0.930 378 V HN 0.280 nan 8.190 nan 0.000 0.499 379 V N 3.116 123.086 119.914 0.094 0.000 3.102 379 V HA 0.841 4.960 4.120 -0.001 0.000 0.312 379 V C -0.255 175.885 176.094 0.076 0.000 1.135 379 V CA -0.325 62.025 62.300 0.084 0.000 1.022 379 V CB 2.399 34.275 31.823 0.087 0.000 1.056 379 V HN 0.962 nan 8.190 nan 0.000 0.436 380 S N -0.045 115.689 115.700 0.057 0.000 2.567 380 S HA 0.901 5.370 4.470 -0.001 0.000 0.270 380 S C -0.561 174.052 174.600 0.023 0.000 1.152 380 S CA 0.311 58.535 58.200 0.039 0.000 0.835 380 S CB 1.795 65.039 63.200 0.073 0.000 1.115 380 S HN 1.695 nan 8.310 nan 0.000 0.459 381 G N 1.765 110.573 108.800 0.014 0.000 2.427 381 G HA2 0.570 4.530 3.960 -0.001 0.000 0.306 381 G HA3 0.570 4.530 3.960 -0.001 0.000 0.306 381 G C -3.412 171.520 174.900 0.053 0.000 1.280 381 G CA -0.624 44.487 45.100 0.019 0.000 0.837 381 G HN 0.606 nan 8.290 nan 0.000 0.482 382 P HA 0.129 nan 4.420 nan 0.000 0.267 382 P C -1.744 175.620 177.300 0.107 0.000 1.201 382 P CA -0.524 62.720 63.100 0.240 0.000 0.775 382 P CB 1.085 32.889 31.700 0.174 0.000 0.854 383 P HA -0.244 nan 4.420 nan 0.000 0.215 383 P C 1.361 178.646 177.300 -0.024 0.000 1.163 383 P CA 1.857 64.925 63.100 -0.053 0.000 0.894 383 P CB 0.005 31.663 31.700 -0.070 0.000 0.791 384 Q N 0.337 120.167 119.800 0.051 0.000 1.061 384 Q HA -0.189 4.151 4.340 -0.001 0.000 0.758 384 Q C 2.387 178.444 176.000 0.096 0.000 0.923 384 Q CA 2.191 58.052 55.803 0.096 0.000 0.875 384 Q CB -1.253 27.543 28.738 0.098 0.000 0.920 384 Q HN 0.327 nan 8.270 nan 0.000 0.274 385 S N 1.007 116.748 115.700 0.068 0.000 2.636 385 S HA -0.362 4.108 4.470 -0.001 0.000 0.344 385 S C 1.778 176.403 174.600 0.041 0.000 1.333 385 S CA 2.275 60.497 58.200 0.037 0.000 1.176 385 S CB -1.441 61.766 63.200 0.012 0.000 1.291 385 S HN 0.477 nan 8.310 nan 0.000 0.453 386 L N 0.081 121.323 121.223 0.031 0.000 2.030 386 L HA -0.245 4.094 4.340 -0.001 0.000 0.222 386 L C 2.619 179.583 176.870 0.156 0.000 1.082 386 L CA 2.693 57.556 54.840 0.038 0.000 0.785 386 L CB -0.685 41.308 42.059 -0.110 0.000 0.895 386 L HN 0.647 nan 8.230 nan 0.000 0.439 387 Y N 0.460 120.807 120.300 0.077 0.000 2.181 387 Y HA -0.170 4.379 4.550 -0.001 0.000 0.288 387 Y C 2.155 178.112 175.900 0.095 0.000 1.146 387 Y CA 1.479 59.684 58.100 0.174 0.000 1.164 387 Y CB -1.059 37.489 38.460 0.146 0.000 0.982 387 Y HN 0.155 nan 8.280 nan 0.000 0.515 388 G N 0.612 109.296 108.800 -0.193 0.000 2.516 388 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.221 388 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.221 388 G C 1.490 176.275 174.900 -0.191 0.000 1.107 388 G CA 1.155 46.083 45.100 -0.287 0.000 0.747 388 G HN 0.532 nan 8.290 nan 0.000 0.567 389 L N -0.249 120.919 121.223 -0.092 0.000 2.168 389 L HA 0.246 4.585 4.340 -0.001 0.000 0.203 389 L C 1.980 178.804 176.870 -0.077 0.000 1.078 389 L CA 1.390 56.205 54.840 -0.042 0.000 0.780 389 L CB -0.790 41.291 42.059 0.036 0.000 0.939 389 L HN 0.017 nan 8.230 nan 0.000 0.451 390 N N 0.349 119.028 118.700 -0.034 0.000 2.258 390 N HA -0.199 4.540 4.740 -0.001 0.000 0.187 390 N C 1.798 177.212 175.510 -0.160 0.000 1.012 390 N CA 1.794 54.826 53.050 -0.030 0.000 0.870 390 N CB -0.287 38.294 38.487 0.155 0.000 0.977 390 N HN 0.428 nan 8.380 nan 0.000 0.434 391 L N 0.771 121.819 121.223 -0.291 0.000 1.924 391 L HA -0.242 4.098 4.340 -0.001 0.000 0.222 391 L C 2.770 179.517 176.870 -0.205 0.000 1.081 391 L CA 2.112 56.780 54.840 -0.287 0.000 0.780 391 L CB -1.442 40.424 42.059 -0.321 0.000 0.891 391 L HN 0.297 nan 8.230 nan 0.000 0.434 392 T N -1.271 113.171 114.554 -0.186 0.000 2.778 392 T HA -0.259 4.091 4.350 -0.001 0.000 0.269 392 T C 1.783 176.310 174.700 -0.288 0.000 1.050 392 T CA 1.540 63.525 62.100 -0.191 0.000 1.137 392 T CB -0.685 68.097 68.868 -0.143 0.000 0.860 392 T HN 0.202 nan 8.240 nan 0.000 0.468 393 L N 1.328 122.377 121.223 -0.289 0.000 2.013 393 L HA -0.055 4.285 4.340 -0.001 0.000 0.212 393 L C 2.690 179.289 176.870 -0.451 0.000 1.073 393 L CA 1.677 56.298 54.840 -0.366 0.000 0.753 393 L CB -0.607 41.338 42.059 -0.189 0.000 0.890 393 L HN 0.179 nan 8.230 nan 0.000 0.432 394 R N 0.035 120.346 120.500 -0.315 0.000 2.082 394 R HA -0.081 4.259 4.340 -0.001 0.000 0.228 394 R C 0.617 176.740 176.300 -0.295 0.000 1.140 394 R CA 1.258 57.181 56.100 -0.294 0.000 0.920 394 R CB -0.571 29.626 30.300 -0.172 0.000 0.828 394 R HN 0.253 nan 8.270 nan 0.000 0.430 395 K N 0.875 121.143 120.400 -0.220 0.000 2.319 395 K HA 0.077 4.396 4.320 -0.001 0.000 0.277 395 K C 0.049 176.529 176.600 -0.200 0.000 1.111 395 K CA 0.605 56.787 56.287 -0.176 0.000 1.093 395 K CB 0.650 33.072 32.500 -0.129 0.000 0.910 395 K HN 0.479 nan 8.250 nan 0.000 0.452 396 A N 2.778 125.485 122.820 -0.189 0.000 3.145 396 A HA -0.124 4.196 4.320 -0.001 0.000 0.202 396 A C 0.204 177.691 177.584 -0.161 0.000 1.857 396 A CA -0.325 51.625 52.037 -0.145 0.000 2.054 396 A CB -0.663 18.237 19.000 -0.167 0.000 0.331 396 A HN 0.558 nan 8.150 nan 0.000 0.551 397 K N 1.352 121.550 120.400 -0.337 0.000 2.382 397 K HA 0.547 4.866 4.320 -0.001 0.000 0.275 397 K C 0.176 176.680 176.600 -0.159 0.000 1.009 397 K CA 0.457 56.510 56.287 -0.391 0.000 0.970 397 K CB 0.679 32.767 32.500 -0.688 0.000 0.934 397 K HN 0.913 nan 8.250 nan 0.000 0.479 398 A N 4.863 127.650 122.820 -0.054 0.000 2.301 398 A HA 0.344 4.663 4.320 -0.001 0.000 0.312 398 A C -1.668 175.900 177.584 -0.027 0.000 1.182 398 A CA -1.503 50.517 52.037 -0.028 0.000 0.826 398 A CB 0.543 19.545 19.000 0.003 0.000 1.134 398 A HN 0.780 nan 8.150 nan 0.000 0.501 399 P HA -0.097 nan 4.420 nan 0.000 0.242 399 P C 0.387 177.680 177.300 -0.013 0.000 1.198 399 P CA 1.224 64.307 63.100 -0.028 0.000 0.756 399 P CB -0.154 31.528 31.700 -0.030 0.000 0.911 400 S N -3.414 112.284 115.700 -0.003 0.000 3.482 400 S HA -0.111 4.359 4.470 -0.001 0.000 0.294 400 S C 0.510 175.110 174.600 -0.001 0.000 1.244 400 S CA 0.374 58.576 58.200 0.003 0.000 0.911 400 S CB -2.745 60.458 63.200 0.005 0.000 1.070 400 S HN 0.562 nan 8.310 nan 0.000 0.614 401 G N 0.926 109.723 108.800 -0.005 0.000 2.327 401 G HA2 0.583 4.543 3.960 -0.001 0.000 0.302 401 G HA3 0.583 4.543 3.960 -0.001 0.000 0.302 401 G C 0.141 175.040 174.900 -0.002 0.000 1.113 401 G CA -0.796 44.301 45.100 -0.004 0.000 0.921 401 G HN 0.769 nan 8.290 nan 0.000 0.425 402 L N 2.386 123.610 121.223 0.001 0.000 3.184 402 L HA -0.185 4.155 4.340 -0.001 0.000 0.355 402 L C 0.961 177.833 176.870 0.003 0.000 1.167 402 L CA 0.840 55.683 54.840 0.005 0.000 0.816 402 L CB 0.450 42.513 42.059 0.006 0.000 1.165 402 L HN 0.894 nan 8.230 nan 0.000 0.603 403 D N 0.868 121.271 120.400 0.004 0.000 2.292 403 D HA -0.099 4.541 4.640 -0.001 0.000 0.322 403 D C 1.194 177.500 176.300 0.009 0.000 1.087 403 D CA -0.095 53.906 54.000 0.001 0.000 0.857 403 D CB -0.056 40.739 40.800 -0.009 0.000 1.445 403 D HN 0.637 nan 8.370 nan 0.000 0.528 404 Q N 1.171 120.982 119.800 0.018 0.000 2.331 404 Q HA 0.038 4.378 4.340 -0.001 0.000 0.203 404 Q C 1.171 177.196 176.000 0.042 0.000 0.944 404 Q CA 0.747 56.576 55.803 0.043 0.000 0.892 404 Q CB 0.078 28.856 28.738 0.066 0.000 0.983 404 Q HN 0.044 nan 8.270 nan 0.000 0.482 405 S N 0.597 116.314 115.700 0.029 0.000 2.428 405 S HA -0.126 4.344 4.470 -0.001 0.000 0.240 405 S C 0.361 174.976 174.600 0.025 0.000 1.036 405 S CA 1.174 59.389 58.200 0.024 0.000 1.009 405 S CB -0.013 63.196 63.200 0.016 0.000 0.803 405 S HN 0.277 nan 8.310 nan 0.000 0.486 406 R N 0.075 120.591 120.500 0.026 0.000 2.521 406 R HA 0.377 4.717 4.340 -0.001 0.000 0.295 406 R C -0.779 175.540 176.300 0.032 0.000 1.183 406 R CA -0.555 55.560 56.100 0.025 0.000 0.957 406 R CB 0.171 30.482 30.300 0.018 0.000 1.171 406 R HN 0.199 nan 8.270 nan 0.000 0.494 407 I N 3.888 124.484 120.570 0.043 0.000 3.494 407 I HA -0.302 3.867 4.170 -0.001 0.000 0.126 407 I C -1.453 174.701 176.117 0.062 0.000 0.972 407 I CA 0.420 61.755 61.300 0.058 0.000 2.750 407 I CB 0.080 38.108 38.000 0.046 0.000 1.121 407 I HN 0.432 nan 8.210 nan 0.000 0.344 408 P HA 0.127 nan 4.420 nan 0.000 0.219 408 P C 0.336 177.687 177.300 0.085 0.000 1.149 408 P CA 0.135 63.275 63.100 0.067 0.000 0.755 408 P CB 0.135 31.892 31.700 0.097 0.000 1.201 409 F N 0.827 120.784 119.950 0.011 0.000 2.047 409 F HA -0.049 4.477 4.527 -0.001 0.000 0.356 409 F C 1.755 177.561 175.800 0.010 0.000 1.028 409 F CA 1.705 59.711 58.000 0.010 0.000 0.820 409 F CB -1.043 37.961 39.000 0.007 0.000 0.684 409 F HN 0.212 nan 8.300 nan 0.000 0.478 410 S N -0.025 115.727 115.700 0.087 0.000 2.835 410 S HA -0.085 4.385 4.470 -0.001 0.000 0.085 410 S C 1.108 175.722 174.600 0.024 0.000 0.622 410 S CA 0.428 58.667 58.200 0.065 0.000 1.515 410 S CB -0.672 62.572 63.200 0.072 0.000 0.919 410 S HN 0.572 nan 8.310 nan 0.000 0.278 411 E N 0.531 120.735 120.200 0.006 0.000 2.444 411 E HA 0.274 4.623 4.350 -0.001 0.000 0.209 411 E C 0.595 177.178 176.600 -0.029 0.000 0.806 411 E CA -0.452 55.945 56.400 -0.005 0.000 1.240 411 E CB 0.476 30.179 29.700 0.005 0.000 1.238 411 E HN 0.384 nan 8.360 nan 0.000 0.591 412 R N 2.549 123.017 120.500 -0.053 0.000 2.598 412 R HA -0.085 4.255 4.340 -0.001 0.000 0.266 412 R C -0.419 175.825 176.300 -0.093 0.000 0.977 412 R CA 0.887 56.934 56.100 -0.088 0.000 1.097 412 R CB 0.440 30.645 30.300 -0.159 0.000 0.911 412 R HN -0.104 nan 8.270 nan 0.000 0.419 413 K N 3.387 123.750 120.400 -0.062 0.000 2.139 413 K HA 0.325 4.645 4.320 -0.001 0.000 0.243 413 K C -0.076 176.514 176.600 -0.017 0.000 0.983 413 K CA -0.832 55.439 56.287 -0.026 0.000 0.890 413 K CB 0.964 33.464 32.500 0.000 0.000 1.090 413 K HN 0.398 nan 8.250 nan 0.000 0.445 414 L N 0.959 122.218 121.223 0.059 0.000 2.468 414 L HA 0.246 4.586 4.340 -0.001 0.000 0.253 414 L C 0.187 177.177 176.870 0.199 0.000 1.237 414 L CA -0.094 54.818 54.840 0.119 0.000 0.823 414 L CB -0.080 42.132 42.059 0.256 0.000 1.124 414 L HN 0.416 nan 8.230 nan 0.000 0.504 415 K N -0.099 120.427 120.400 0.211 0.000 2.469 415 K HA 0.578 4.897 4.320 -0.001 0.000 0.254 415 K C -1.226 175.573 176.600 0.332 0.000 0.939 415 K CA -0.626 55.821 56.287 0.267 0.000 0.812 415 K CB 2.337 34.892 32.500 0.093 0.000 1.301 415 K HN 0.182 nan 8.250 nan 0.000 0.433 416 F N 0.002 119.942 119.950 -0.018 0.000 3.255 416 F HA 0.527 5.054 4.527 -0.001 0.000 0.204 416 F C -0.063 175.723 175.800 -0.023 0.000 1.613 416 F CA -0.854 57.138 58.000 -0.013 0.000 0.925 416 F CB 0.765 39.756 39.000 -0.015 0.000 1.893 416 F HN 0.462 nan 8.300 nan 0.000 0.306 417 S N -0.339 115.517 115.700 0.261 0.000 2.520 417 S HA 0.105 4.574 4.470 -0.001 0.000 0.327 417 S C -1.428 173.227 174.600 0.092 0.000 0.591 417 S CA -0.625 57.633 58.200 0.097 0.000 0.675 417 S CB -1.164 62.062 63.200 0.042 0.000 1.031 417 S HN 0.634 nan 8.310 nan 0.000 0.558 418 N N 2.872 121.584 118.700 0.020 0.000 2.275 418 N HA 0.133 4.872 4.740 -0.001 0.000 0.236 418 N C 0.476 175.847 175.510 -0.232 0.000 1.154 418 N CA -0.711 52.320 53.050 -0.031 0.000 0.866 418 N CB 0.379 38.840 38.487 -0.044 0.000 1.093 418 N HN 0.692 nan 8.380 nan 0.000 0.515 419 R N 0.206 120.585 120.500 -0.203 0.000 2.827 419 R HA 0.162 4.501 4.340 -0.001 0.000 0.269 419 R C -0.753 175.411 176.300 -0.226 0.000 1.048 419 R CA 0.165 56.079 56.100 -0.310 0.000 1.173 419 R CB 0.169 30.387 30.300 -0.137 0.000 1.070 419 R HN -0.166 nan 8.270 nan 0.000 0.498 420 F N -0.067 119.894 119.950 0.020 0.000 2.461 420 F HA 0.529 5.055 4.527 -0.001 0.000 0.332 420 F C 0.425 176.228 175.800 0.006 0.000 1.073 420 F CA -1.342 56.667 58.000 0.016 0.000 1.017 420 F CB 0.517 39.525 39.000 0.013 0.000 1.301 420 F HN 0.266 nan 8.300 nan 0.000 0.492 421 L N 1.471 122.829 121.223 0.225 0.000 2.271 421 L HA 0.491 4.830 4.340 -0.001 0.000 0.265 421 L C -2.263 174.655 176.870 0.081 0.000 1.013 421 L CA -1.978 52.928 54.840 0.111 0.000 0.820 421 L CB 1.889 43.990 42.059 0.071 0.000 1.352 421 L HN 0.312 nan 8.230 nan 0.000 0.443 422 P HA 0.156 nan 4.420 nan 0.000 0.252 422 P C -1.106 176.240 177.300 0.076 0.000 1.727 422 P CA 0.042 63.191 63.100 0.082 0.000 1.134 422 P CB 0.276 32.065 31.700 0.148 0.000 1.876 423 V N 2.592 122.500 119.914 -0.010 0.000 2.610 423 V HA 0.234 4.354 4.120 -0.001 0.000 0.288 423 V C 1.304 177.333 176.094 -0.109 0.000 1.055 423 V CA -0.444 61.807 62.300 -0.081 0.000 0.902 423 V CB 1.299 33.012 31.823 -0.184 0.000 1.030 423 V HN 0.307 nan 8.190 nan 0.000 0.448 424 A N 3.486 126.238 122.820 -0.114 0.000 1.978 424 A HA 0.020 4.339 4.320 -0.001 0.000 0.220 424 A C 1.237 178.761 177.584 -0.099 0.000 1.170 424 A CA 1.697 53.652 52.037 -0.136 0.000 0.636 424 A CB -0.014 18.878 19.000 -0.181 0.000 0.810 424 A HN 0.682 nan 8.150 nan 0.000 0.448 425 S N -0.565 115.115 115.700 -0.033 0.000 2.704 425 S HA 0.552 5.022 4.470 -0.001 0.000 0.305 425 S C -2.771 171.884 174.600 0.090 0.000 1.107 425 S CA -1.189 57.054 58.200 0.071 0.000 0.993 425 S CB 1.636 65.010 63.200 0.290 0.000 1.110 425 S HN 0.249 nan 8.310 nan 0.000 0.534 426 P HA 0.360 nan 4.420 nan 0.000 0.213 426 P C -0.843 176.655 177.300 0.331 0.000 1.861 426 P CA -0.417 62.798 63.100 0.192 0.000 1.076 426 P CB -0.382 31.406 31.700 0.148 0.000 1.867 427 F N 1.764 121.725 119.950 0.019 0.000 2.586 427 F HA 0.005 4.532 4.527 -0.001 0.000 0.335 427 F C 1.927 177.718 175.800 -0.014 0.000 1.210 427 F CA 0.254 58.193 58.000 -0.102 0.000 1.359 427 F CB -0.761 38.130 39.000 -0.181 0.000 1.142 427 F HN 0.414 nan 8.300 nan 0.000 0.606 428 H N -0.781 118.420 119.070 0.219 0.000 2.514 428 H HA -0.129 4.426 4.556 -0.001 0.000 0.318 428 H C 0.208 175.649 175.328 0.187 0.000 0.994 428 H CA 0.507 56.656 56.048 0.170 0.000 1.056 428 H CB -1.474 28.394 29.762 0.176 0.000 1.621 428 H HN 0.531 nan 8.280 nan 0.000 0.360 429 S N -0.270 115.564 115.700 0.224 0.000 2.811 429 S HA 0.507 4.977 4.470 -0.001 0.000 0.311 429 S C 0.362 175.125 174.600 0.271 0.000 1.152 429 S CA -0.857 57.499 58.200 0.259 0.000 0.864 429 S CB 2.047 65.361 63.200 0.190 0.000 1.226 429 S HN 0.396 nan 8.310 nan 0.000 0.541 430 H N 0.180 119.282 119.070 0.053 0.000 2.520 430 H HA 0.442 4.998 4.556 -0.001 0.000 0.284 430 H C 0.675 176.005 175.328 0.003 0.000 1.037 430 H CA 0.471 56.536 56.048 0.027 0.000 1.168 430 H CB 0.037 29.810 29.762 0.018 0.000 1.497 430 H HN 0.529 nan 8.280 nan 0.000 0.547 431 L N -3.547 117.740 121.223 0.106 0.000 3.515 431 L HA 0.343 4.683 4.340 -0.001 0.000 0.322 431 L C -0.159 176.739 176.870 0.047 0.000 1.225 431 L CA -0.145 54.721 54.840 0.042 0.000 1.104 431 L CB 0.537 42.595 42.059 -0.002 0.000 1.506 431 L HN -0.052 nan 8.230 nan 0.000 0.624 432 L N 1.722 122.978 121.223 0.056 0.000 2.828 432 L HA 0.505 4.844 4.340 -0.001 0.000 0.233 432 L C -0.019 176.856 176.870 0.008 0.000 1.250 432 L CA 0.186 55.046 54.840 0.033 0.000 1.125 432 L CB 0.755 42.833 42.059 0.032 0.000 1.432 432 L HN 0.089 nan 8.230 nan 0.000 0.444 433 V N 0.393 120.310 119.914 0.006 0.000 3.177 433 V HA 0.182 4.302 4.120 -0.001 0.000 0.220 433 V C -1.146 174.948 176.094 0.000 0.000 1.395 433 V CA 0.492 62.789 62.300 -0.005 0.000 1.317 433 V CB -0.333 31.480 31.823 -0.017 0.000 1.148 433 V HN 0.327 nan 8.190 nan 0.000 0.499 434 P HA -0.169 nan 4.420 nan 0.000 0.219 434 P C 1.067 178.376 177.300 0.016 0.000 1.144 434 P CA 2.259 65.364 63.100 0.008 0.000 0.806 434 P CB 0.123 31.828 31.700 0.009 0.000 0.771 435 A N -0.283 122.548 122.820 0.019 0.000 2.252 435 A HA 0.095 4.414 4.320 -0.001 0.000 0.213 435 A C 2.335 179.935 177.584 0.025 0.000 1.188 435 A CA 0.790 52.844 52.037 0.028 0.000 0.863 435 A CB -0.760 18.260 19.000 0.033 0.000 0.893 435 A HN 0.311 nan 8.150 nan 0.000 0.495 436 S N 1.056 116.762 115.700 0.010 0.000 2.378 436 S HA -0.303 4.166 4.470 -0.001 0.000 0.221 436 S C 1.814 176.421 174.600 0.012 0.000 1.037 436 S CA 1.670 59.870 58.200 0.001 0.000 1.069 436 S CB -0.832 62.361 63.200 -0.010 0.000 1.006 436 S HN 0.526 nan 8.310 nan 0.000 0.423 437 D N 1.339 121.746 120.400 0.011 0.000 2.172 437 D HA -0.151 4.488 4.640 -0.001 0.000 0.196 437 D C 1.993 178.307 176.300 0.022 0.000 0.999 437 D CA 1.389 55.396 54.000 0.012 0.000 0.856 437 D CB -0.441 40.365 40.800 0.009 0.000 0.934 437 D HN 0.487 nan 8.370 nan 0.000 0.453 438 L N 0.978 122.222 121.223 0.035 0.000 2.013 438 L HA -0.214 4.126 4.340 -0.001 0.000 0.212 438 L C 2.764 179.678 176.870 0.073 0.000 1.073 438 L CA 1.581 56.454 54.840 0.055 0.000 0.753 438 L CB -0.459 41.642 42.059 0.070 0.000 0.890 438 L HN 0.223 nan 8.230 nan 0.000 0.432 439 I N -2.696 117.926 120.570 0.086 0.000 2.264 439 I HA -0.289 3.880 4.170 -0.001 0.000 0.248 439 I C 2.205 178.338 176.117 0.026 0.000 1.111 439 I CA 1.571 62.939 61.300 0.113 0.000 1.382 439 I CB -0.722 37.348 38.000 0.116 0.000 1.060 439 I HN 0.299 nan 8.210 nan 0.000 0.418 440 N N 2.238 120.945 118.700 0.012 0.000 2.037 440 N HA -0.224 4.516 4.740 -0.001 0.000 0.196 440 N C 1.824 177.316 175.510 -0.031 0.000 1.034 440 N CA 2.105 55.149 53.050 -0.011 0.000 0.861 440 N CB -0.330 38.155 38.487 -0.003 0.000 1.039 440 N HN 0.582 nan 8.380 nan 0.000 0.427 441 K N 0.656 121.045 120.400 -0.018 0.000 2.057 441 K HA -0.058 4.262 4.320 -0.001 0.000 0.206 441 K C 1.203 177.757 176.600 -0.076 0.000 1.050 441 K CA 0.785 57.054 56.287 -0.029 0.000 0.935 441 K CB -0.059 32.439 32.500 -0.004 0.000 0.715 441 K HN 0.178 nan 8.250 nan 0.000 0.439 442 D N 1.185 121.538 120.400 -0.079 0.000 2.354 442 D HA -0.130 4.510 4.640 -0.001 0.000 0.216 442 D C 1.782 177.775 176.300 -0.511 0.000 0.970 442 D CA 0.871 54.720 54.000 -0.251 0.000 0.905 442 D CB 0.081 40.858 40.800 -0.038 0.000 0.903 442 D HN 0.203 nan 8.370 nan 0.000 0.508 443 L N -0.049 121.009 121.223 -0.275 0.000 2.013 443 L HA -0.109 4.231 4.340 -0.001 0.000 0.204 443 L C 2.612 179.374 176.870 -0.181 0.000 1.081 443 L CA 0.475 55.173 54.840 -0.237 0.000 0.751 443 L CB -0.671 41.316 42.059 -0.121 0.000 0.901 443 L HN -0.123 nan 8.230 nan 0.000 0.440 444 V N 0.094 119.944 119.914 -0.107 0.000 2.282 444 V HA -0.326 3.794 4.120 -0.001 0.000 0.249 444 V C 1.978 178.022 176.094 -0.083 0.000 1.057 444 V CA 1.791 64.053 62.300 -0.063 0.000 1.032 444 V CB -0.880 30.921 31.823 -0.037 0.000 0.645 444 V HN 0.421 nan 8.190 nan 0.000 0.447 445 K N 1.117 121.448 120.400 -0.115 0.000 2.678 445 K HA -0.082 4.238 4.320 -0.001 0.000 0.194 445 K C -0.011 176.510 176.600 -0.132 0.000 1.031 445 K CA 0.529 56.751 56.287 -0.110 0.000 0.961 445 K CB -0.379 32.053 32.500 -0.112 0.000 0.793 445 K HN 0.531 nan 8.250 nan 0.000 0.492 446 N N 1.234 119.852 118.700 -0.137 0.000 2.824 446 N HA 0.012 4.752 4.740 -0.001 0.000 0.224 446 N C -1.231 174.239 175.510 -0.067 0.000 1.418 446 N CA -0.310 52.666 53.050 -0.122 0.000 0.743 446 N CB 0.690 39.054 38.487 -0.205 0.000 1.395 446 N HN 0.002 nan 8.380 nan 0.000 0.548 447 N N 0.968 119.651 118.700 -0.028 0.000 3.077 447 N HA -0.125 4.614 4.740 -0.001 0.000 0.290 447 N C 0.646 176.202 175.510 0.076 0.000 1.157 447 N CA 0.696 53.757 53.050 0.018 0.000 0.907 447 N CB 0.085 38.578 38.487 0.010 0.000 0.907 447 N HN 0.343 nan 8.380 nan 0.000 0.624 448 V N -1.910 118.060 119.914 0.094 0.000 3.195 448 V HA -0.044 4.076 4.120 -0.001 0.000 0.256 448 V C 0.710 176.848 176.094 0.074 0.000 1.735 448 V CA 0.203 62.597 62.300 0.157 0.000 1.017 448 V CB 0.200 32.032 31.823 0.015 0.000 0.897 448 V HN 0.449 nan 8.190 nan 0.000 0.387 449 S N 2.711 118.425 115.700 0.024 0.000 3.716 449 S HA 0.270 4.740 4.470 -0.001 0.000 0.254 449 S C 0.374 175.019 174.600 0.076 0.000 1.209 449 S CA 0.039 58.218 58.200 -0.036 0.000 1.026 449 S CB -0.916 62.251 63.200 -0.055 0.000 1.625 449 S HN 0.615 nan 8.310 nan 0.000 0.500 450 F N 0.322 120.258 119.950 -0.022 0.000 2.060 450 F HA 0.540 5.066 4.527 -0.001 0.000 0.218 450 F C 0.124 175.921 175.800 -0.005 0.000 1.186 450 F CA -0.749 57.243 58.000 -0.013 0.000 1.281 450 F CB -0.382 38.612 39.000 -0.009 0.000 1.741 450 F HN 0.338 nan 8.300 nan 0.000 0.359 451 N N 1.252 120.031 118.700 0.132 0.000 2.729 451 N HA -0.087 4.652 4.740 -0.001 0.000 0.259 451 N C -0.220 175.418 175.510 0.215 0.000 1.119 451 N CA 0.494 53.602 53.050 0.097 0.000 0.679 451 N CB -1.255 37.199 38.487 -0.055 0.000 0.892 451 N HN 0.862 nan 8.380 nan 0.000 0.558 452 A N 1.144 124.161 122.820 0.328 0.000 2.495 452 A HA 0.223 4.543 4.320 -0.001 0.000 0.260 452 A C 1.359 179.009 177.584 0.108 0.000 1.608 452 A CA 0.138 52.274 52.037 0.166 0.000 0.834 452 A CB 0.219 19.284 19.000 0.108 0.000 1.526 452 A HN 0.226 nan 8.150 nan 0.000 0.578 453 K N 0.542 120.983 120.400 0.068 0.000 2.632 453 K HA -0.037 4.283 4.320 -0.001 0.000 0.196 453 K C 0.035 176.667 176.600 0.055 0.000 1.023 453 K CA 0.319 56.635 56.287 0.049 0.000 1.098 453 K CB -0.631 31.886 32.500 0.029 0.000 0.862 453 K HN 0.520 nan 8.250 nan 0.000 0.504 454 D N 0.523 120.973 120.400 0.083 0.000 2.378 454 D HA -0.057 4.582 4.640 -0.001 0.000 0.227 454 D C 0.533 176.880 176.300 0.078 0.000 1.012 454 D CA 0.174 54.226 54.000 0.087 0.000 0.905 454 D CB 0.155 41.036 40.800 0.135 0.000 0.895 454 D HN 0.262 nan 8.370 nan 0.000 0.532 455 I N 2.777 123.387 120.570 0.067 0.000 2.996 455 I HA -0.171 3.999 4.170 -0.001 0.000 0.285 455 I C 1.748 177.897 176.117 0.053 0.000 1.173 455 I CA 0.045 61.380 61.300 0.058 0.000 1.396 455 I CB 0.202 38.229 38.000 0.045 0.000 1.470 455 I HN -0.113 nan 8.210 nan 0.000 0.586 456 Q N 6.065 125.902 119.800 0.062 0.000 1.579 456 Q HA -0.077 4.262 4.340 -0.001 0.000 0.490 456 Q C 1.009 177.041 176.000 0.053 0.000 0.970 456 Q CA 1.244 57.081 55.803 0.057 0.000 0.898 456 Q CB -0.202 28.579 28.738 0.072 0.000 0.936 456 Q HN 0.755 nan 8.270 nan 0.000 0.385 457 I N -0.344 120.266 120.570 0.066 0.000 3.138 457 I HA 0.174 4.343 4.170 -0.001 0.000 0.288 457 I C -2.060 174.105 176.117 0.080 0.000 1.148 457 I CA -2.102 59.240 61.300 0.070 0.000 1.315 457 I CB -0.248 37.803 38.000 0.084 0.000 1.426 457 I HN -0.007 nan 8.210 nan 0.000 0.615 458 P HA 0.181 nan 4.420 nan 0.000 0.273 458 P C -0.618 176.804 177.300 0.204 0.000 1.428 458 P CA -0.146 63.008 63.100 0.090 0.000 0.995 458 P CB 0.684 32.422 31.700 0.063 0.000 1.286 459 V N 5.875 125.882 119.914 0.155 0.000 2.326 459 V HA 0.032 4.151 4.120 -0.001 0.000 0.249 459 V C 0.408 176.646 176.094 0.241 0.000 1.114 459 V CA -0.372 62.060 62.300 0.220 0.000 1.028 459 V CB -1.731 30.173 31.823 0.134 0.000 1.170 459 V HN 0.436 nan 8.190 nan 0.000 0.494 460 Y N 2.012 122.397 120.300 0.141 0.000 2.861 460 Y HA -0.057 4.492 4.550 -0.001 0.000 0.344 460 Y C 1.259 177.191 175.900 0.054 0.000 1.272 460 Y CA 0.493 58.655 58.100 0.104 0.000 1.502 460 Y CB 0.095 38.626 38.460 0.118 0.000 1.333 460 Y HN 0.538 nan 8.280 nan 0.000 0.634 461 D N -0.031 120.460 120.400 0.151 0.000 2.414 461 D HA 0.067 4.706 4.640 -0.001 0.000 0.251 461 D C 0.738 177.097 176.300 0.098 0.000 1.252 461 D CA 0.160 54.229 54.000 0.115 0.000 0.999 461 D CB 1.161 42.026 40.800 0.108 0.000 1.093 461 D HN 0.595 nan 8.370 nan 0.000 0.515 462 T N -0.199 114.427 114.554 0.120 0.000 3.067 462 T HA 0.036 4.386 4.350 -0.001 0.000 0.257 462 T C -0.010 174.729 174.700 0.064 0.000 1.105 462 T CA 0.394 62.553 62.100 0.098 0.000 1.104 462 T CB 0.145 69.105 68.868 0.153 0.000 0.925 462 T HN 0.157 nan 8.240 nan 0.000 0.498 463 F N 2.643 122.618 119.950 0.042 0.000 2.828 463 F HA 0.322 4.848 4.527 -0.001 0.000 0.355 463 F C -0.888 174.923 175.800 0.017 0.000 1.200 463 F CA -1.816 56.203 58.000 0.031 0.000 1.062 463 F CB 0.660 39.683 39.000 0.037 0.000 1.351 463 F HN -0.063 nan 8.300 nan 0.000 0.504 464 D N 3.124 123.702 120.400 0.296 0.000 6.041 464 D HA -0.147 4.492 4.640 -0.001 0.000 0.239 464 D C 0.174 176.535 176.300 0.102 0.000 1.667 464 D CA 0.852 54.959 54.000 0.178 0.000 1.478 464 D CB 0.060 40.959 40.800 0.166 0.000 0.683 464 D HN 0.913 nan 8.370 nan 0.000 0.375 465 G N 3.258 112.123 108.800 0.108 0.000 2.624 465 G HA2 0.343 4.303 3.960 -0.001 0.000 0.292 465 G HA3 0.343 4.303 3.960 -0.001 0.000 0.292 465 G C 0.577 175.329 174.900 -0.246 0.000 0.777 465 G CA 0.585 45.736 45.100 0.086 0.000 1.883 465 G HN 0.549 nan 8.290 nan 0.000 0.505 466 S N 0.897 116.480 115.700 -0.196 0.000 2.537 466 S HA 0.280 4.750 4.470 -0.001 0.000 0.301 466 S C 0.802 175.258 174.600 -0.240 0.000 1.092 466 S CA -0.727 57.355 58.200 -0.196 0.000 1.048 466 S CB 2.156 65.309 63.200 -0.078 0.000 1.053 466 S HN 0.418 nan 8.310 nan 0.000 0.501 467 D N 0.337 120.608 120.400 -0.214 0.000 2.421 467 D HA -0.161 4.478 4.640 -0.001 0.000 0.223 467 D C 1.147 177.410 176.300 -0.061 0.000 0.979 467 D CA 0.824 54.736 54.000 -0.146 0.000 0.959 467 D CB -0.312 40.437 40.800 -0.084 0.000 0.874 467 D HN 0.756 nan 8.370 nan 0.000 0.513 468 L N -0.792 120.400 121.223 -0.051 0.000 5.279 468 L HA -0.263 4.076 4.340 -0.001 0.000 0.428 468 L C 0.047 176.917 176.870 -0.000 0.000 0.974 468 L CA 1.213 56.050 54.840 -0.005 0.000 1.338 468 L CB -1.067 41.005 42.059 0.022 0.000 1.740 468 L HN 0.040 nan 8.230 nan 0.000 0.657 469 R N -0.118 120.376 120.500 -0.010 0.000 2.280 469 R HA 0.667 5.007 4.340 -0.001 0.000 0.326 469 R C -0.051 176.244 176.300 -0.008 0.000 1.080 469 R CA 0.348 56.447 56.100 -0.001 0.000 1.002 469 R CB 0.293 30.596 30.300 0.005 0.000 1.136 469 R HN 0.044 nan 8.270 nan 0.000 0.509 470 V N 5.356 125.268 119.914 -0.004 0.000 3.590 470 V HA 0.050 4.170 4.120 -0.001 0.000 0.389 470 V C 0.581 176.675 176.094 -0.001 0.000 1.545 470 V CA -0.285 62.011 62.300 -0.007 0.000 1.448 470 V CB -0.469 31.347 31.823 -0.012 0.000 1.105 470 V HN 0.639 nan 8.190 nan 0.000 0.537 471 L N 1.773 122.998 121.223 0.005 0.000 5.815 471 L HA -0.437 3.902 4.340 -0.001 0.000 0.053 471 L C 1.729 178.602 176.870 0.005 0.000 1.954 471 L CA 2.888 57.733 54.840 0.008 0.000 1.859 471 L CB -0.962 41.102 42.059 0.008 0.000 2.528 471 L HN 1.627 nan 8.230 nan 0.000 0.918 472 S N -3.279 112.423 115.700 0.004 0.000 3.225 472 S HA -0.155 4.314 4.470 -0.001 0.000 0.308 472 S C 0.899 175.500 174.600 0.002 0.000 1.270 472 S CA 1.815 60.015 58.200 0.001 0.000 1.011 472 S CB -2.531 60.667 63.200 -0.003 0.000 1.138 472 S HN 2.301 nan 8.310 nan 0.000 0.661 473 G N -1.442 107.361 108.800 0.006 0.000 3.934 473 G HA2 0.509 4.468 3.960 -0.001 0.000 0.212 473 G HA3 0.509 4.468 3.960 -0.001 0.000 0.212 473 G C 0.495 175.402 174.900 0.011 0.000 1.126 473 G CA 0.645 45.749 45.100 0.007 0.000 0.877 473 G HN 1.279 nan 8.290 nan 0.000 0.556 474 S N -0.559 115.151 115.700 0.016 0.000 2.524 474 S HA -0.355 4.114 4.470 -0.001 0.000 0.249 474 S C 1.684 176.298 174.600 0.025 0.000 1.261 474 S CA 1.701 59.916 58.200 0.025 0.000 1.551 474 S CB -1.219 61.994 63.200 0.022 0.000 1.976 474 S HN 1.298 nan 8.310 nan 0.000 0.639 475 I N -1.361 119.220 120.570 0.018 0.000 4.327 475 I HA -0.340 3.830 4.170 -0.001 0.000 0.074 475 I C 1.003 177.125 176.117 0.009 0.000 0.569 475 I CA 1.580 62.890 61.300 0.017 0.000 1.123 475 I CB -1.809 36.203 38.000 0.020 0.000 1.000 475 I HN 0.626 nan 8.210 nan 0.000 0.171 476 S N 0.788 116.489 115.700 0.002 0.000 3.033 476 S HA 0.211 4.680 4.470 -0.001 0.000 0.258 476 S C 0.715 175.311 174.600 -0.006 0.000 1.207 476 S CA 0.924 59.117 58.200 -0.012 0.000 1.248 476 S CB 0.327 63.511 63.200 -0.025 0.000 0.932 476 S HN 0.728 nan 8.310 nan 0.000 0.472 477 E N -0.297 119.904 120.200 0.002 0.000 2.629 477 E HA 0.124 4.473 4.350 -0.001 0.000 0.203 477 E C 1.472 178.077 176.600 0.009 0.000 0.939 477 E CA -0.010 56.391 56.400 0.003 0.000 1.439 477 E CB 0.309 30.011 29.700 0.003 0.000 1.490 477 E HN 0.395 nan 8.360 nan 0.000 0.804 478 R N 0.602 121.111 120.500 0.015 0.000 2.191 478 R HA 0.223 4.563 4.340 -0.001 0.000 0.196 478 R C 1.199 177.521 176.300 0.036 0.000 0.991 478 R CA 0.625 56.742 56.100 0.028 0.000 1.075 478 R CB 0.061 30.380 30.300 0.031 0.000 1.040 478 R HN 0.057 nan 8.270 nan 0.000 0.526 479 I N 1.736 122.322 120.570 0.027 0.000 3.518 479 I HA -0.016 4.154 4.170 -0.001 0.000 0.305 479 I C 0.455 176.577 176.117 0.009 0.000 1.204 479 I CA 0.549 61.865 61.300 0.027 0.000 1.211 479 I CB -0.566 37.442 38.000 0.014 0.000 1.018 479 I HN 0.091 nan 8.210 nan 0.000 0.500 480 V N -0.545 119.375 119.914 0.009 0.000 3.415 480 V HA 0.022 4.142 4.120 -0.001 0.000 0.204 480 V C 1.858 177.948 176.094 -0.005 0.000 1.365 480 V CA 0.300 62.593 62.300 -0.012 0.000 1.310 480 V CB 0.461 32.278 31.823 -0.009 0.000 1.231 480 V HN 0.255 nan 8.190 nan 0.000 0.538 481 D N 0.587 120.998 120.400 0.019 0.000 2.269 481 D HA -0.141 4.498 4.640 -0.001 0.000 0.208 481 D C 1.960 178.312 176.300 0.086 0.000 0.963 481 D CA 1.746 55.767 54.000 0.036 0.000 0.864 481 D CB 0.283 41.101 40.800 0.029 0.000 0.936 481 D HN 0.650 nan 8.370 nan 0.000 0.505 482 C N -0.820 118.542 119.300 0.104 0.000 2.481 482 C HA 0.256 4.716 4.460 -0.001 0.000 0.275 482 C C 2.349 177.475 174.990 0.227 0.000 1.419 482 C CA -0.549 58.577 59.018 0.179 0.000 1.773 482 C CB -1.083 26.753 27.740 0.161 0.000 1.862 482 C HN 0.219 nan 8.230 nan 0.000 0.530 483 I N 1.376 122.008 120.570 0.103 0.000 3.649 483 I HA 0.204 4.373 4.170 -0.001 0.000 0.234 483 I C 1.581 177.551 176.117 -0.246 0.000 1.053 483 I CA 0.327 61.590 61.300 -0.063 0.000 1.538 483 I CB -0.016 37.886 38.000 -0.162 0.000 1.445 483 I HN 0.167 nan 8.210 nan 0.000 0.464 484 I N 0.097 120.544 120.570 -0.205 0.000 2.882 484 I HA 0.198 4.367 4.170 -0.001 0.000 0.276 484 I C 0.752 176.852 176.117 -0.028 0.000 1.096 484 I CA 0.435 61.635 61.300 -0.166 0.000 1.872 484 I CB -0.216 37.684 38.000 -0.167 0.000 1.383 484 I HN 0.422 nan 8.210 nan 0.000 0.758 485 R N 1.818 122.352 120.500 0.058 0.000 2.721 485 R HA 0.288 4.628 4.340 -0.001 0.000 0.030 485 R C -0.855 175.548 176.300 0.172 0.000 0.818 485 R CA 0.182 56.335 56.100 0.089 0.000 3.192 485 R CB -0.096 30.229 30.300 0.042 0.000 0.977 485 R HN 0.379 nan 8.270 nan 0.000 0.543 486 L N 3.188 124.548 121.223 0.229 0.000 2.379 486 L HA 0.548 4.887 4.340 -0.001 0.000 0.269 486 L C -1.863 175.200 176.870 0.320 0.000 1.084 486 L CA -2.254 52.765 54.840 0.299 0.000 0.802 486 L CB 1.309 43.576 42.059 0.346 0.000 1.175 486 L HN 0.162 nan 8.230 nan 0.000 0.448 487 P HA -0.012 nan 4.420 nan 0.000 0.313 487 P C 0.348 177.536 177.300 -0.186 0.000 1.332 487 P CA -0.188 62.915 63.100 0.005 0.000 0.777 487 P CB 0.586 32.296 31.700 0.017 0.000 1.599 488 V N -2.622 117.129 119.914 -0.272 0.000 3.193 488 V HA 0.086 4.205 4.120 -0.001 0.000 0.237 488 V C 0.781 176.721 176.094 -0.256 0.000 1.447 488 V CA 0.119 62.301 62.300 -0.197 0.000 1.227 488 V CB -0.632 31.217 31.823 0.043 0.000 1.040 488 V HN 0.488 nan 8.190 nan 0.000 0.458 489 K N -0.071 120.191 120.400 -0.231 0.000 3.013 489 K HA -0.351 3.969 4.320 -0.001 0.000 0.275 489 K C 1.219 177.805 176.600 -0.025 0.000 1.086 489 K CA 1.013 57.196 56.287 -0.173 0.000 0.814 489 K CB -1.099 31.192 32.500 -0.349 0.000 1.212 489 K HN 0.702 nan 8.250 nan 0.000 0.468 490 W N 1.232 122.432 121.300 -0.168 0.000 2.082 490 W HA -0.430 4.229 4.660 -0.001 0.000 0.357 490 W C 1.425 177.853 176.519 -0.152 0.000 1.615 490 W CA 2.686 59.943 57.345 -0.148 0.000 1.766 490 W CB -0.891 28.467 29.460 -0.169 0.000 0.975 490 W HN 0.432 nan 8.180 nan 0.000 0.469 491 E N -1.263 119.094 120.200 0.261 0.000 2.233 491 E HA -0.232 4.117 4.350 -0.001 0.000 0.199 491 E C 1.945 178.522 176.600 -0.038 0.000 1.004 491 E CA 2.322 58.800 56.400 0.130 0.000 0.819 491 E CB -0.276 29.472 29.700 0.080 0.000 0.738 491 E HN 0.346 nan 8.360 nan 0.000 0.478 492 T N -0.688 113.826 114.554 -0.066 0.000 3.014 492 T HA -0.039 4.311 4.350 -0.001 0.000 0.263 492 T C 1.794 176.403 174.700 -0.152 0.000 1.078 492 T CA 1.033 63.085 62.100 -0.081 0.000 1.135 492 T CB 0.000 68.838 68.868 -0.050 0.000 0.895 492 T HN 0.091 nan 8.240 nan 0.000 0.480 493 T N 2.070 116.456 114.554 -0.280 0.000 3.043 493 T HA -0.047 4.302 4.350 -0.001 0.000 0.263 493 T C 2.347 176.604 174.700 -0.738 0.000 1.094 493 T CA 1.379 63.243 62.100 -0.394 0.000 1.127 493 T CB -0.299 68.287 68.868 -0.471 0.000 0.905 493 T HN 0.665 nan 8.240 nan 0.000 0.490 494 T N 2.024 116.095 114.554 -0.806 0.000 2.559 494 T HA -0.161 4.188 4.350 -0.001 0.000 0.251 494 T C 1.258 175.330 174.700 -1.047 0.000 1.122 494 T CA 1.017 62.471 62.100 -1.078 0.000 1.231 494 T CB -1.054 67.522 68.868 -0.487 0.000 0.881 494 T HN 0.566 nan 8.240 nan 0.000 0.397 495 Q N 1.445 120.987 119.800 -0.431 0.000 2.368 495 Q HA -0.196 4.144 4.340 -0.001 0.000 0.352 495 Q C -0.765 175.168 176.000 -0.112 0.000 1.301 495 Q CA 0.209 55.904 55.803 -0.180 0.000 1.059 495 Q CB -2.583 26.123 28.738 -0.054 0.000 1.281 495 Q HN 0.708 nan 8.270 nan 0.000 0.406 496 F N 0.298 120.163 119.950 -0.142 0.000 2.408 496 F HA 0.385 4.912 4.527 -0.001 0.000 0.325 496 F C 1.054 176.808 175.800 -0.077 0.000 1.082 496 F CA -1.419 56.474 58.000 -0.178 0.000 1.032 496 F CB 1.247 40.111 39.000 -0.227 0.000 1.259 496 F HN -0.020 nan 8.300 nan 0.000 0.503 497 K N 2.133 122.629 120.400 0.160 0.000 2.724 497 K HA 0.507 4.826 4.320 -0.001 0.000 0.198 497 K C -0.654 175.942 176.600 -0.005 0.000 1.099 497 K CA -0.306 56.019 56.287 0.065 0.000 1.025 497 K CB 1.040 33.575 32.500 0.059 0.000 1.509 497 K HN 0.565 nan 8.250 nan 0.000 0.564 498 A N 0.038 122.855 122.820 -0.005 0.000 2.303 498 A HA 0.630 4.949 4.320 -0.001 0.000 0.309 498 A C 0.581 178.104 177.584 -0.100 0.000 1.132 498 A CA -0.392 51.602 52.037 -0.072 0.000 0.919 498 A CB 1.016 19.974 19.000 -0.070 0.000 1.348 498 A HN 0.294 nan 8.150 nan 0.000 0.492 499 T N -0.634 113.807 114.554 -0.188 0.000 2.992 499 T HA 0.296 4.645 4.350 -0.001 0.000 0.255 499 T C -0.138 174.243 174.700 -0.532 0.000 0.938 499 T CA 0.325 62.198 62.100 -0.379 0.000 0.895 499 T CB -0.043 68.508 68.868 -0.529 0.000 1.221 499 T HN 0.699 nan 8.240 nan 0.000 0.512 500 H N -0.416 118.658 119.070 0.006 0.000 2.990 500 H HA 0.639 5.195 4.556 -0.001 0.000 0.336 500 H C -1.269 174.063 175.328 0.008 0.000 1.306 500 H CA -1.166 54.892 56.048 0.018 0.000 1.118 500 H CB 1.332 31.123 29.762 0.049 0.000 1.856 500 H HN 0.038 nan 8.280 nan 0.000 0.538 501 I N 2.049 122.715 120.570 0.160 0.000 2.586 501 I HA 0.124 4.294 4.170 -0.001 0.000 0.288 501 I C -0.785 175.345 176.117 0.022 0.000 1.147 501 I CA -0.392 60.958 61.300 0.082 0.000 1.047 501 I CB 2.385 40.447 38.000 0.104 0.000 1.244 501 I HN 0.111 nan 8.210 nan 0.000 0.429 502 L N 5.472 126.688 121.223 -0.012 0.000 2.259 502 L HA 0.369 4.709 4.340 -0.001 0.000 0.288 502 L C -0.943 175.669 176.870 -0.430 0.000 1.051 502 L CA -0.221 54.482 54.840 -0.227 0.000 0.824 502 L CB 0.943 42.904 42.059 -0.164 0.000 1.206 502 L HN 0.527 nan 8.230 nan 0.000 0.429 503 D N 2.982 123.094 120.400 -0.481 0.000 2.392 503 D HA 0.256 4.895 4.640 -0.001 0.000 0.228 503 D C 0.172 176.141 176.300 -0.551 0.000 1.074 503 D CA -0.187 53.570 54.000 -0.405 0.000 0.838 503 D CB 0.847 41.555 40.800 -0.154 0.000 1.067 503 D HN 0.231 nan 8.370 nan 0.000 0.511 504 F N 1.001 120.744 119.950 -0.345 0.000 2.663 504 F HA 0.259 4.785 4.527 -0.001 0.000 0.299 504 F C 1.811 177.552 175.800 -0.098 0.000 1.143 504 F CA -0.791 57.090 58.000 -0.198 0.000 1.387 504 F CB -0.150 38.825 39.000 -0.041 0.000 1.019 504 F HN 0.303 nan 8.300 nan 0.000 0.523 505 G N 2.710 111.502 108.800 -0.014 0.000 2.349 505 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.232 505 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.232 505 G C -1.968 172.953 174.900 0.035 0.000 1.240 505 G CA -0.912 44.216 45.100 0.047 0.000 0.870 505 G HN 0.062 nan 8.290 nan 0.000 0.528 506 P HA 0.074 nan 4.420 nan 0.000 0.231 506 P C 0.901 178.200 177.300 -0.002 0.000 1.210 506 P CA 1.286 64.418 63.100 0.053 0.000 1.332 506 P CB -0.656 31.052 31.700 0.014 0.000 1.594 507 G N 2.237 111.037 108.800 -0.000 0.000 2.825 507 G HA2 0.180 4.140 3.960 -0.001 0.000 0.686 507 G HA3 0.180 4.140 3.960 -0.001 0.000 0.686 507 G C 0.277 175.127 174.900 -0.082 0.000 1.362 507 G CA -0.107 44.982 45.100 -0.020 0.000 0.975 507 G HN 0.785 nan 8.290 nan 0.000 0.594 508 G N 0.494 109.226 108.800 -0.114 0.000 2.909 508 G HA2 0.288 4.248 3.960 -0.001 0.000 0.385 508 G HA3 0.288 4.248 3.960 -0.001 0.000 0.385 508 G C 1.053 175.808 174.900 -0.241 0.000 1.436 508 G CA 0.979 45.976 45.100 -0.172 0.000 0.949 508 G HN 2.553 nan 8.290 nan 0.000 0.556 509 A N 0.051 122.701 122.820 -0.285 0.000 3.074 509 A HA 0.573 4.893 4.320 -0.001 0.000 0.251 509 A C 1.447 178.925 177.584 -0.178 0.000 1.695 509 A CA 1.237 53.096 52.037 -0.297 0.000 1.343 509 A CB -0.839 17.972 19.000 -0.316 0.000 1.078 509 A HN 2.254 nan 8.150 nan 0.000 0.644 510 S N -1.821 113.788 115.700 -0.152 0.000 2.760 510 S HA 0.222 4.692 4.470 -0.001 0.000 0.263 510 S C 0.714 175.248 174.600 -0.110 0.000 1.007 510 S CA 0.417 58.548 58.200 -0.115 0.000 1.358 510 S CB -0.361 62.789 63.200 -0.083 0.000 1.228 510 S HN 0.976 nan 8.310 nan 0.000 0.684 511 G N 1.674 110.405 108.800 -0.115 0.000 3.288 511 G HA2 0.581 4.541 3.960 -0.001 0.000 0.337 511 G HA3 0.581 4.541 3.960 -0.001 0.000 0.337 511 G C 0.608 175.446 174.900 -0.104 0.000 1.142 511 G CA -0.476 44.573 45.100 -0.085 0.000 1.304 511 G HN 0.478 nan 8.290 nan 0.000 0.475 512 L N 0.866 121.979 121.223 -0.184 0.000 5.147 512 L HA -0.366 3.973 4.340 -0.001 0.000 0.401 512 L C 2.857 179.617 176.870 -0.184 0.000 0.896 512 L CA 1.754 56.410 54.840 -0.306 0.000 2.095 512 L CB -1.539 40.363 42.059 -0.262 0.000 1.071 512 L HN 0.589 nan 8.230 nan 0.000 0.628 513 G N -0.220 108.517 108.800 -0.106 0.000 2.740 513 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.224 513 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.224 513 G C 1.219 176.089 174.900 -0.051 0.000 1.156 513 G CA 2.132 47.181 45.100 -0.084 0.000 0.766 513 G HN 0.349 nan 8.290 nan 0.000 0.623 514 V N 0.505 120.365 119.914 -0.089 0.000 2.575 514 V HA 0.052 4.172 4.120 -0.001 0.000 0.242 514 V C 2.496 178.555 176.094 -0.057 0.000 1.045 514 V CA 1.150 63.421 62.300 -0.049 0.000 1.065 514 V CB -0.353 31.409 31.823 -0.100 0.000 0.717 514 V HN 0.363 nan 8.190 nan 0.000 0.467 515 L N 1.161 122.285 121.223 -0.165 0.000 2.021 515 L HA -0.238 4.102 4.340 -0.001 0.000 0.215 515 L C 2.360 179.108 176.870 -0.204 0.000 1.074 515 L CA 2.847 57.543 54.840 -0.241 0.000 0.760 515 L CB -1.557 40.246 42.059 -0.426 0.000 0.889 515 L HN 0.413 nan 8.230 nan 0.000 0.433 516 T N -1.374 113.063 114.554 -0.195 0.000 2.685 516 T HA -0.340 4.010 4.350 -0.001 0.000 0.268 516 T C 1.723 176.500 174.700 0.128 0.000 1.034 516 T CA 2.021 64.152 62.100 0.052 0.000 1.149 516 T CB -0.724 68.307 68.868 0.272 0.000 0.860 516 T HN 0.740 nan 8.240 nan 0.000 0.449 517 H N 1.218 120.287 119.070 -0.000 0.000 2.270 517 H HA -0.037 4.518 4.556 -0.001 0.000 0.299 517 H C 2.581 177.905 175.328 -0.005 0.000 1.077 517 H CA 1.251 57.307 56.048 0.015 0.000 1.294 517 H CB 0.075 29.841 29.762 0.007 0.000 1.371 517 H HN 0.190 nan 8.280 nan 0.000 0.491 518 R N 0.265 120.867 120.500 0.170 0.000 2.222 518 R HA -0.266 4.074 4.340 -0.001 0.000 0.235 518 R C 2.220 178.571 176.300 0.086 0.000 1.112 518 R CA 2.004 58.138 56.100 0.057 0.000 0.897 518 R CB -0.696 29.573 30.300 -0.051 0.000 0.882 518 R HN 0.551 nan 8.270 nan 0.000 0.429 519 N N 0.991 119.715 118.700 0.041 0.000 2.111 519 N HA -0.170 4.570 4.740 -0.001 0.000 0.197 519 N C -0.057 175.491 175.510 0.063 0.000 1.011 519 N CA 1.508 54.584 53.050 0.044 0.000 0.880 519 N CB -0.097 38.424 38.487 0.057 0.000 1.031 519 N HN 0.366 nan 8.380 nan 0.000 0.444 520 K N 0.787 121.237 120.400 0.083 0.000 2.323 520 K HA 0.300 4.619 4.320 -0.001 0.000 0.259 520 K C -1.245 175.390 176.600 0.058 0.000 0.947 520 K CA -0.397 55.921 56.287 0.052 0.000 0.819 520 K CB 1.730 34.246 32.500 0.025 0.000 1.109 520 K HN -0.169 nan 8.250 nan 0.000 0.429 521 D N 1.532 121.964 120.400 0.054 0.000 2.443 521 D HA 0.314 4.953 4.640 -0.001 0.000 0.281 521 D C -0.192 176.130 176.300 0.037 0.000 1.210 521 D CA 0.069 54.115 54.000 0.077 0.000 0.875 521 D CB 1.076 41.941 40.800 0.107 0.000 1.125 521 D HN 0.794 nan 8.370 nan 0.000 0.503 522 G N 0.399 109.200 108.800 0.001 0.000 2.828 522 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.226 522 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.226 522 G C 0.444 175.336 174.900 -0.013 0.000 1.090 522 G CA -0.088 45.014 45.100 0.002 0.000 1.035 522 G HN 0.341 nan 8.290 nan 0.000 0.578 523 T N -0.880 113.651 114.554 -0.037 0.000 2.216 523 T HA 0.635 4.985 4.350 -0.001 0.000 0.155 523 T C 1.615 176.283 174.700 -0.053 0.000 0.727 523 T CA 0.409 62.487 62.100 -0.037 0.000 0.924 523 T CB -0.419 68.435 68.868 -0.023 0.000 2.801 523 T HN 1.055 nan 8.240 nan 0.000 0.375 524 G N 0.317 109.085 108.800 -0.054 0.000 2.597 524 G HA2 0.337 4.297 3.960 -0.001 0.000 0.283 524 G HA3 0.337 4.297 3.960 -0.001 0.000 0.283 524 G C 0.011 174.906 174.900 -0.008 0.000 1.319 524 G CA 0.210 45.292 45.100 -0.031 0.000 1.054 524 G HN 0.565 nan 8.290 nan 0.000 0.583 525 V N 0.730 120.714 119.914 0.117 0.000 3.157 525 V HA 0.156 4.275 4.120 -0.001 0.000 0.361 525 V C 0.220 176.380 176.094 0.111 0.000 1.421 525 V CA -0.546 61.831 62.300 0.128 0.000 1.213 525 V CB -0.151 31.822 31.823 0.250 0.000 1.164 525 V HN 0.820 nan 8.190 nan 0.000 0.559 526 R N 0.582 121.130 120.500 0.079 0.000 4.048 526 R HA -0.148 4.191 4.340 -0.001 0.000 0.110 526 R C -0.689 175.655 176.300 0.074 0.000 0.432 526 R CA 0.434 56.581 56.100 0.077 0.000 0.770 526 R CB -1.215 29.136 30.300 0.084 0.000 1.125 526 R HN 0.247 nan 8.270 nan 0.000 0.220 527 V N 5.478 125.404 119.914 0.020 0.000 2.628 527 V HA 0.529 4.649 4.120 -0.001 0.000 0.306 527 V C 1.055 177.093 176.094 -0.093 0.000 1.045 527 V CA -0.939 61.365 62.300 0.008 0.000 0.905 527 V CB 2.190 33.996 31.823 -0.029 0.000 0.997 527 V HN 0.695 nan 8.190 nan 0.000 0.436 528 I N 2.302 122.827 120.570 -0.074 0.000 3.217 528 I HA 0.438 4.607 4.170 -0.001 0.000 0.308 528 I C 0.669 176.634 176.117 -0.254 0.000 1.091 528 I CA -0.408 60.739 61.300 -0.255 0.000 1.013 528 I CB 2.395 40.181 38.000 -0.357 0.000 1.250 528 I HN 0.417 nan 8.210 nan 0.000 0.496 529 V N 1.795 121.501 119.914 -0.347 0.000 2.503 529 V HA 0.147 4.267 4.120 -0.001 0.000 0.163 529 V C 0.868 176.896 176.094 -0.109 0.000 1.062 529 V CA 0.421 62.567 62.300 -0.256 0.000 1.362 529 V CB -0.614 30.986 31.823 -0.371 0.000 0.864 529 V HN 0.824 nan 8.190 nan 0.000 0.451 530 A N -0.308 122.430 122.820 -0.137 0.000 2.521 530 A HA 0.435 4.755 4.320 -0.001 0.000 0.237 530 A C 0.840 178.426 177.584 0.003 0.000 1.087 530 A CA 0.677 52.760 52.037 0.076 0.000 0.777 530 A CB -1.142 17.968 19.000 0.184 0.000 1.035 530 A HN 2.260 nan 8.150 nan 0.000 0.510 531 G N -0.280 108.553 108.800 0.056 0.000 3.307 531 G HA2 0.076 4.035 3.960 -0.001 0.000 0.686 531 G HA3 0.076 4.035 3.960 -0.001 0.000 0.686 531 G C 0.128 175.077 174.900 0.082 0.000 0.983 531 G CA 0.062 45.181 45.100 0.032 0.000 0.804 531 G HN 1.443 nan 8.290 nan 0.000 0.531 532 T N 3.272 117.841 114.554 0.026 0.000 3.037 532 T HA 0.248 4.597 4.350 -0.001 0.000 0.251 532 T C 1.875 176.533 174.700 -0.069 0.000 1.079 532 T CA 0.330 62.391 62.100 -0.064 0.000 1.067 532 T CB 0.222 69.067 68.868 -0.039 0.000 0.948 532 T HN 0.636 nan 8.240 nan 0.000 0.496 533 L N 2.736 123.994 121.223 0.059 0.000 2.484 533 L HA 0.017 4.357 4.340 -0.001 0.000 0.297 533 L C 0.456 177.290 176.870 -0.060 0.000 1.292 533 L CA 0.680 55.561 54.840 0.068 0.000 0.827 533 L CB 0.361 42.493 42.059 0.122 0.000 1.077 533 L HN 0.454 nan 8.230 nan 0.000 0.560 534 D N 0.577 120.967 120.400 -0.017 0.000 2.989 534 D HA 0.551 5.191 4.640 -0.001 0.000 0.284 534 D C 0.081 176.392 176.300 0.018 0.000 1.212 534 D CA -0.383 53.556 54.000 -0.102 0.000 1.055 534 D CB 1.840 42.660 40.800 0.034 0.000 1.351 534 D HN 0.419 nan 8.370 nan 0.000 0.611 535 I N -1.613 118.967 120.570 0.017 0.000 1.550 535 I HA 0.162 4.332 4.170 -0.001 0.000 0.289 535 I C -1.087 175.043 176.117 0.021 0.000 0.353 535 I CA -0.793 60.526 61.300 0.032 0.000 3.337 535 I CB 0.044 38.072 38.000 0.048 0.000 1.550 535 I HN 0.373 nan 8.210 nan 0.000 0.548 536 N N 1.710 120.424 118.700 0.023 0.000 2.461 536 N HA 0.356 5.096 4.740 -0.001 0.000 0.284 536 N C -2.864 172.664 175.510 0.030 0.000 1.049 536 N CA -1.605 51.456 53.050 0.019 0.000 0.889 536 N CB 1.225 39.720 38.487 0.014 0.000 1.365 536 N HN 0.035 nan 8.380 nan 0.000 0.499 537 P HA -0.173 nan 4.420 nan 0.000 0.050 537 P C -0.130 177.210 177.300 0.066 0.000 0.568 537 P CA 1.037 64.162 63.100 0.042 0.000 1.049 537 P CB 0.031 31.746 31.700 0.024 0.000 1.751 538 D N 1.225 121.676 120.400 0.086 0.000 3.234 538 D HA -0.036 4.604 4.640 -0.001 0.000 0.281 538 D C 0.306 176.730 176.300 0.207 0.000 1.405 538 D CA 0.633 54.711 54.000 0.130 0.000 1.115 538 D CB 0.409 41.249 40.800 0.066 0.000 1.198 538 D HN 0.196 nan 8.370 nan 0.000 0.388 539 D N 0.746 121.256 120.400 0.183 0.000 2.804 539 D HA 0.131 4.770 4.640 -0.001 0.000 0.308 539 D C -0.465 175.957 176.300 0.202 0.000 1.371 539 D CA -0.500 53.640 54.000 0.232 0.000 0.823 539 D CB -0.316 40.639 40.800 0.259 0.000 1.126 539 D HN -0.010 nan 8.370 nan 0.000 0.467 540 D N 1.060 121.521 120.400 0.101 0.000 2.844 540 D HA -0.060 4.579 4.640 -0.001 0.000 0.217 540 D C 0.037 176.314 176.300 -0.039 0.000 1.121 540 D CA 1.322 55.327 54.000 0.009 0.000 0.829 540 D CB 0.417 41.313 40.800 0.160 0.000 1.194 540 D HN 0.428 nan 8.370 nan 0.000 0.513 541 Y N -2.614 117.516 120.300 -0.283 0.000 2.905 541 Y HA 0.448 4.997 4.550 -0.001 0.000 0.322 541 Y C 1.263 176.732 175.900 -0.718 0.000 1.455 541 Y CA -0.514 57.357 58.100 -0.382 0.000 1.083 541 Y CB 0.348 38.628 38.460 -0.300 0.000 1.473 541 Y HN 0.459 nan 8.280 nan 0.000 0.449 542 G N 0.669 109.446 108.800 -0.038 0.000 2.857 542 G HA2 -0.430 3.530 3.960 -0.001 0.000 0.237 542 G HA3 -0.430 3.530 3.960 -0.001 0.000 0.237 542 G C 0.484 175.381 174.900 -0.005 0.000 1.074 542 G CA 1.825 46.892 45.100 -0.056 0.000 0.742 542 G HN 1.321 nan 8.290 nan 0.000 0.555 543 F N -0.843 119.123 119.950 0.026 0.000 2.706 543 F HA 0.556 5.083 4.527 -0.001 0.000 0.308 543 F C 1.583 177.359 175.800 -0.040 0.000 1.095 543 F CA -0.429 57.581 58.000 0.017 0.000 1.244 543 F CB -0.411 38.556 39.000 -0.054 0.000 1.063 543 F HN 0.118 nan 8.300 nan 0.000 0.582 544 K N 0.623 121.280 120.400 0.427 0.000 2.611 544 K HA -0.038 4.281 4.320 -0.001 0.000 0.193 544 K C 1.368 177.966 176.600 -0.002 0.000 1.026 544 K CA 0.164 56.555 56.287 0.174 0.000 1.063 544 K CB 0.054 32.615 32.500 0.103 0.000 0.839 544 K HN 0.257 nan 8.250 nan 0.000 0.505 1670 G N -2.099 106.770 108.800 0.115 0.000 4.636 1670 G HA2 0.088 4.048 3.960 -0.001 0.000 0.212 1670 G HA3 0.088 4.048 3.960 -0.001 0.000 0.212 1670 G C 0.141 175.086 174.900 0.074 0.000 0.829 1670 G CA 0.474 45.635 45.100 0.102 0.000 0.833 1670 G HN 0.226 nan 8.290 nan 0.000 0.510 1671 S N 0.276 116.015 115.700 0.066 0.000 2.545 1671 S HA 0.085 4.554 4.470 -0.001 0.000 0.232 1671 S C 1.410 176.044 174.600 0.057 0.000 1.070 1671 S CA 0.749 58.980 58.200 0.052 0.000 0.923 1671 S CB -0.117 63.107 63.200 0.041 0.000 0.806 1671 S HN 0.576 nan 8.310 nan 0.000 0.506 1672 Q N 2.574 122.416 119.800 0.069 0.000 2.681 1672 Q HA -0.111 4.229 4.340 -0.001 0.000 0.394 1672 Q C -0.438 175.602 176.000 0.065 0.000 1.278 1672 Q CA 1.152 57.001 55.803 0.077 0.000 1.106 1672 Q CB -0.543 28.250 28.738 0.092 0.000 1.205 1672 Q HN 0.750 nan 8.270 nan 0.000 0.475 1673 E N -0.609 119.630 120.200 0.064 0.000 2.393 1673 E HA 0.161 4.510 4.350 -0.001 0.000 0.282 1673 E C -0.293 176.333 176.600 0.043 0.000 1.096 1673 E CA -0.616 55.813 56.400 0.048 0.000 0.866 1673 E CB 0.199 29.922 29.700 0.039 0.000 1.232 1673 E HN 0.462 nan 8.360 nan 0.000 0.431 1674 Q N 1.404 121.221 119.800 0.028 0.000 2.478 1674 Q HA -0.371 3.968 4.340 -0.001 0.000 0.447 1674 Q C 1.793 177.803 176.000 0.016 0.000 0.743 1674 Q CA 3.804 59.616 55.803 0.016 0.000 0.966 1674 Q CB -1.317 27.424 28.738 0.005 0.000 1.221 1674 Q HN 0.916 nan 8.270 nan 0.000 0.856 1675 G N -0.189 108.616 108.800 0.009 0.000 2.843 1675 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.232 1675 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.232 1675 G C 0.482 175.390 174.900 0.013 0.000 1.186 1675 G CA 1.463 46.565 45.100 0.004 0.000 0.766 1675 G HN 0.820 nan 8.290 nan 0.000 0.647 1676 M N -0.057 119.570 119.600 0.045 0.000 3.923 1676 M HA -0.094 4.386 4.480 -0.001 0.000 0.158 1676 M C 1.134 177.487 176.300 0.088 0.000 1.513 1676 M CA 0.875 56.228 55.300 0.088 0.000 1.059 1676 M CB -1.300 31.374 32.600 0.124 0.000 1.337 1676 M HN 1.703 nan 8.290 nan 0.000 0.314 1677 G N 3.842 112.699 108.800 0.095 0.000 2.481 1677 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.328 1677 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.328 1677 G C 1.084 176.021 174.900 0.061 0.000 0.890 1677 G CA 0.795 45.956 45.100 0.102 0.000 0.833 1677 G HN 0.737 nan 8.290 nan 0.000 0.509 1678 M N 0.247 119.837 119.600 -0.016 0.000 2.108 1678 M HA -0.071 4.408 4.480 -0.001 0.000 0.261 1678 M C 2.213 178.515 176.300 0.003 0.000 1.066 1678 M CA 1.776 57.034 55.300 -0.070 0.000 1.107 1678 M CB -1.048 31.498 32.600 -0.090 0.000 1.356 1678 M HN 0.351 nan 8.290 nan 0.000 0.406 1679 D N 0.506 120.908 120.400 0.004 0.000 2.204 1679 D HA -0.268 4.372 4.640 -0.001 0.000 0.189 1679 D C 2.102 178.424 176.300 0.036 0.000 1.006 1679 D CA 1.420 55.425 54.000 0.007 0.000 0.855 1679 D CB -0.679 40.129 40.800 0.013 0.000 0.946 1679 D HN 0.364 nan 8.370 nan 0.000 0.448 1680 L N 0.049 121.313 121.223 0.068 0.000 1.978 1680 L HA -0.301 4.039 4.340 -0.001 0.000 0.218 1680 L C 2.487 179.447 176.870 0.151 0.000 1.075 1680 L CA 1.754 56.655 54.840 0.102 0.000 0.767 1680 L CB -0.631 41.509 42.059 0.136 0.000 0.890 1680 L HN 0.195 nan 8.230 nan 0.000 0.434 1681 Y N 0.612 120.887 120.300 -0.042 0.000 2.012 1681 Y HA -0.543 4.006 4.550 -0.001 0.000 0.243 1681 Y C 2.886 178.756 175.900 -0.050 0.000 1.237 1681 Y CA 2.463 60.501 58.100 -0.104 0.000 1.057 1681 Y CB -0.268 38.010 38.460 -0.304 0.000 0.866 1681 Y HN 0.268 nan 8.280 nan 0.000 0.511 1682 K N -0.409 120.026 120.400 0.058 0.000 2.097 1682 K HA -0.156 4.164 4.320 -0.001 0.000 0.206 1682 K C 1.713 178.332 176.600 0.031 0.000 1.049 1682 K CA 1.807 58.064 56.287 -0.051 0.000 0.933 1682 K CB -0.272 32.148 32.500 -0.134 0.000 0.717 1682 K HN 0.445 nan 8.250 nan 0.000 0.442 1683 T N 0.726 115.310 114.554 0.050 0.000 2.516 1683 T HA -0.184 4.166 4.350 -0.001 0.000 0.261 1683 T C 1.188 175.920 174.700 0.054 0.000 1.130 1683 T CA 1.763 63.890 62.100 0.044 0.000 1.193 1683 T CB -0.401 68.495 68.868 0.047 0.000 0.864 1683 T HN 0.482 nan 8.240 nan 0.000 0.410 1684 S N 0.504 116.250 115.700 0.078 0.000 2.454 1684 S HA 0.444 4.913 4.470 -0.001 0.000 0.306 1684 S C 0.412 175.067 174.600 0.092 0.000 1.100 1684 S CA -1.044 57.197 58.200 0.068 0.000 1.087 1684 S CB 1.944 65.174 63.200 0.051 0.000 1.019 1684 S HN 0.276 nan 8.310 nan 0.000 0.480 1685 K N 1.640 122.084 120.400 0.072 0.000 2.442 1685 K HA -0.099 4.220 4.320 -0.001 0.000 0.199 1685 K C 1.956 178.604 176.600 0.079 0.000 1.044 1685 K CA 1.056 57.391 56.287 0.081 0.000 0.941 1685 K CB -0.510 32.023 32.500 0.055 0.000 0.759 1685 K HN 0.744 nan 8.250 nan 0.000 0.472 1686 A N 1.909 124.767 122.820 0.064 0.000 1.904 1686 A HA -0.143 4.176 4.320 -0.001 0.000 0.207 1686 A C 2.361 179.991 177.584 0.078 0.000 1.231 1686 A CA 1.821 53.888 52.037 0.049 0.000 0.655 1686 A CB -1.307 17.708 19.000 0.026 0.000 0.875 1686 A HN 0.282 nan 8.150 nan 0.000 0.478 1687 A N -1.497 121.385 122.820 0.102 0.000 1.985 1687 A HA -0.348 3.971 4.320 -0.001 0.000 0.223 1687 A C 2.007 179.720 177.584 0.214 0.000 1.189 1687 A CA 2.871 55.005 52.037 0.161 0.000 0.658 1687 A CB -0.919 18.235 19.000 0.257 0.000 0.820 1687 A HN 0.768 nan 8.150 nan 0.000 0.464 1688 Q N 0.600 120.515 119.800 0.191 0.000 1.759 1688 Q HA -0.309 4.031 4.340 -0.001 0.000 0.363 1688 Q C 1.622 177.709 176.000 0.145 0.000 1.050 1688 Q CA 3.004 58.927 55.803 0.199 0.000 0.878 1688 Q CB -0.454 28.399 28.738 0.191 0.000 0.983 1688 Q HN 0.800 nan 8.270 nan 0.000 0.411 1689 D N -0.605 119.864 120.400 0.116 0.000 2.271 1689 D HA -0.152 4.488 4.640 -0.001 0.000 0.207 1689 D C 1.814 178.146 176.300 0.054 0.000 0.983 1689 D CA 1.341 55.392 54.000 0.086 0.000 0.878 1689 D CB -0.642 40.197 40.800 0.065 0.000 0.920 1689 D HN 0.263 nan 8.370 nan 0.000 0.479 1690 V N 0.401 120.330 119.914 0.025 0.000 2.215 1690 V HA -0.310 3.809 4.120 -0.001 0.000 0.249 1690 V C 2.385 178.408 176.094 -0.119 0.000 1.054 1690 V CA 2.405 64.648 62.300 -0.095 0.000 1.012 1690 V CB -1.042 30.650 31.823 -0.218 0.000 0.639 1690 V HN 0.248 nan 8.190 nan 0.000 0.448 1691 W N 0.192 121.394 121.300 -0.162 0.000 2.322 1691 W HA -0.151 4.508 4.660 -0.001 0.000 0.326 1691 W C 2.559 179.010 176.519 -0.114 0.000 1.224 1691 W CA 1.532 58.763 57.345 -0.189 0.000 1.257 1691 W CB -1.381 27.836 29.460 -0.405 0.000 1.174 1691 W HN 0.170 nan 8.180 nan 0.000 0.460 1692 N N 0.384 119.181 118.700 0.161 0.000 2.184 1692 N HA -0.295 4.444 4.740 -0.001 0.000 0.188 1692 N C 1.601 177.175 175.510 0.107 0.000 0.923 1692 N CA 2.546 55.671 53.050 0.126 0.000 0.897 1692 N CB -1.117 37.441 38.487 0.118 0.000 1.060 1692 N HN 0.230 nan 8.380 nan 0.000 0.763 1693 R N 0.624 121.172 120.500 0.079 0.000 2.132 1693 R HA -0.175 4.165 4.340 -0.001 0.000 0.233 1693 R C 2.338 178.696 176.300 0.098 0.000 1.125 1693 R CA 1.888 58.029 56.100 0.069 0.000 0.914 1693 R CB -0.725 29.589 30.300 0.024 0.000 0.845 1693 R HN 0.352 nan 8.270 nan 0.000 0.431 1694 A N 1.390 124.252 122.820 0.070 0.000 1.852 1694 A HA -0.299 4.021 4.320 -0.001 0.000 0.217 1694 A C 2.027 179.770 177.584 0.265 0.000 1.215 1694 A CA 2.095 54.214 52.037 0.136 0.000 0.641 1694 A CB -1.074 17.959 19.000 0.054 0.000 0.838 1694 A HN 0.500 nan 8.150 nan 0.000 0.450 1695 D N -0.709 119.799 120.400 0.179 0.000 2.158 1695 D HA -0.203 4.437 4.640 -0.001 0.000 0.197 1695 D C 1.804 178.177 176.300 0.122 0.000 0.995 1695 D CA 1.480 55.550 54.000 0.117 0.000 0.846 1695 D CB -0.246 40.613 40.800 0.098 0.000 0.941 1695 D HN 0.443 nan 8.370 nan 0.000 0.456 1696 N N 0.325 119.100 118.700 0.125 0.000 2.047 1696 N HA -0.207 4.533 4.740 -0.001 0.000 0.193 1696 N C 2.000 177.571 175.510 0.100 0.000 1.055 1696 N CA 1.039 54.144 53.050 0.092 0.000 0.847 1696 N CB -0.882 37.658 38.487 0.088 0.000 1.038 1696 N HN 0.355 nan 8.380 nan 0.000 0.427 1697 H N -0.205 118.876 119.070 0.019 0.000 2.496 1697 H HA -0.163 4.393 4.556 -0.001 0.000 0.296 1697 H C 1.719 176.992 175.328 -0.091 0.000 1.107 1697 H CA 1.160 57.189 56.048 -0.032 0.000 1.263 1697 H CB -0.390 29.344 29.762 -0.047 0.000 1.369 1697 H HN 0.231 nan 8.280 nan 0.000 0.541 1698 F N 1.802 121.747 119.950 -0.008 0.000 2.012 1698 F HA -0.146 4.381 4.527 -0.001 0.000 0.289 1698 F C 2.821 178.473 175.800 -0.247 0.000 1.185 1698 F CA 1.820 59.714 58.000 -0.178 0.000 1.149 1698 F CB -0.189 38.575 39.000 -0.394 0.000 0.994 1698 F HN 0.137 nan 8.300 nan 0.000 0.481 1699 K N -0.242 120.141 120.400 -0.028 0.000 2.444 1699 K HA -0.245 4.074 4.320 -0.001 0.000 0.200 1699 K C 1.193 177.775 176.600 -0.030 0.000 1.045 1699 K CA 2.021 58.264 56.287 -0.073 0.000 0.934 1699 K CB -0.558 31.887 32.500 -0.092 0.000 0.756 1699 K HN 0.336 nan 8.250 nan 0.000 0.477 1700 D N 0.457 120.821 120.400 -0.060 0.000 2.149 1700 D HA -0.047 4.592 4.640 -0.001 0.000 0.206 1700 D C 1.604 177.829 176.300 -0.125 0.000 0.967 1700 D CA 1.252 55.197 54.000 -0.092 0.000 0.848 1700 D CB 0.198 40.925 40.800 -0.120 0.000 0.998 1700 D HN 0.141 nan 8.370 nan 0.000 0.474 1701 T N -1.347 113.067 114.554 -0.233 0.000 2.901 1701 T HA -0.033 4.317 4.350 -0.001 0.000 0.252 1701 T C -0.325 174.428 174.700 0.087 0.000 1.035 1701 T CA 0.551 62.530 62.100 -0.201 0.000 1.142 1701 T CB 0.035 68.635 68.868 -0.447 0.000 0.869 1701 T HN 0.050 nan 8.240 nan 0.000 0.442 1702 Y N 1.978 122.244 120.300 -0.058 0.000 2.646 1702 Y HA 0.560 5.109 4.550 -0.001 0.000 0.334 1702 Y C 0.517 176.665 175.900 0.414 0.000 1.004 1702 Y CA -2.121 56.115 58.100 0.227 0.000 1.301 1702 Y CB 0.072 38.738 38.460 0.343 0.000 1.093 1702 Y HN 0.219 nan 8.280 nan 0.000 0.530 1703 G N 5.080 114.063 108.800 0.305 0.000 2.638 1703 G HA2 0.157 4.117 3.960 -0.001 0.000 0.227 1703 G HA3 0.157 4.117 3.960 -0.001 0.000 0.227 1703 G C -0.487 174.456 174.900 0.072 0.000 1.096 1703 G CA 1.034 46.246 45.100 0.187 0.000 0.866 1703 G HN 1.517 nan 8.290 nan 0.000 0.493 1704 F N -0.944 118.838 119.950 -0.280 0.000 2.184 1704 F HA 0.115 4.641 4.527 -0.001 0.000 0.318 1704 F C -0.532 175.193 175.800 -0.126 0.000 1.112 1704 F CA -0.355 57.423 58.000 -0.370 0.000 0.912 1704 F CB -0.925 37.673 39.000 -0.670 0.000 4.132 1704 F HN 1.508 nan 8.300 nan 0.000 0.139 1705 S N 5.339 120.960 115.700 -0.132 0.000 2.473 1705 S HA 0.721 5.191 4.470 -0.001 0.000 0.307 1705 S C 0.801 175.336 174.600 -0.108 0.000 1.094 1705 S CA -0.354 57.703 58.200 -0.238 0.000 1.070 1705 S CB 1.567 64.717 63.200 -0.085 0.000 1.019 1705 S HN 0.894 nan 8.310 nan 0.000 0.480 1706 I N 2.940 123.323 120.570 -0.312 0.000 2.052 1706 I HA -0.264 3.905 4.170 -0.001 0.000 0.235 1706 I C 2.349 178.504 176.117 0.064 0.000 1.046 1706 I CA 1.543 62.779 61.300 -0.107 0.000 1.308 1706 I CB -0.735 37.167 38.000 -0.164 0.000 1.031 1706 I HN 0.682 nan 8.210 nan 0.000 0.395 1707 L N 0.468 121.733 121.223 0.070 0.000 2.026 1707 L HA -0.403 3.937 4.340 -0.001 0.000 0.231 1707 L C 2.529 179.398 176.870 -0.001 0.000 1.095 1707 L CA 2.088 56.929 54.840 0.002 0.000 0.810 1707 L CB -1.063 40.995 42.059 -0.001 0.000 0.909 1707 L HN 0.498 nan 8.230 nan 0.000 0.444 1708 D N 0.405 120.810 120.400 0.008 0.000 2.230 1708 D HA -0.255 4.385 4.640 -0.001 0.000 0.189 1708 D C 2.030 178.335 176.300 0.009 0.000 1.006 1708 D CA 2.361 56.361 54.000 0.001 0.000 0.853 1708 D CB -0.013 40.790 40.800 0.005 0.000 0.959 1708 D HN 0.240 nan 8.370 nan 0.000 0.449 1709 I N 0.910 121.513 120.570 0.055 0.000 2.335 1709 I HA -0.189 3.981 4.170 -0.001 0.000 0.251 1709 I C 2.715 178.860 176.117 0.048 0.000 1.129 1709 I CA 0.503 61.832 61.300 0.049 0.000 1.402 1709 I CB -1.507 36.583 38.000 0.149 0.000 1.069 1709 I HN 0.035 nan 8.210 nan 0.000 0.424 1710 V N 1.143 121.094 119.914 0.062 0.000 2.283 1710 V HA -0.203 3.917 4.120 -0.001 0.000 0.243 1710 V C 2.460 178.552 176.094 -0.003 0.000 1.039 1710 V CA 1.351 63.682 62.300 0.053 0.000 1.016 1710 V CB -0.323 31.535 31.823 0.058 0.000 0.650 1710 V HN 0.190 nan 8.190 nan 0.000 0.449 1711 I N 1.039 121.586 120.570 -0.038 0.000 2.032 1711 I HA -0.187 3.983 4.170 -0.001 0.000 0.228 1711 I C 1.096 177.195 176.117 -0.030 0.000 1.030 1711 I CA 1.561 62.833 61.300 -0.047 0.000 1.318 1711 I CB -0.555 37.412 38.000 -0.056 0.000 1.049 1711 I HN 0.511 nan 8.210 nan 0.000 0.387 1712 N N 2.260 120.941 118.700 -0.032 0.000 2.495 1712 N HA 0.034 4.773 4.740 -0.001 0.000 0.280 1712 N C -0.537 174.952 175.510 -0.034 0.000 1.168 1712 N CA -0.358 52.672 53.050 -0.032 0.000 0.978 1712 N CB 0.575 39.039 38.487 -0.037 0.000 1.191 1712 N HN 0.178 nan 8.380 nan 0.000 0.497 1713 N N 1.253 119.930 118.700 -0.038 0.000 3.105 1713 N HA 0.156 4.896 4.740 -0.001 0.000 0.256 1713 N C -1.992 173.473 175.510 -0.075 0.000 1.174 1713 N CA -1.786 51.232 53.050 -0.053 0.000 1.030 1713 N CB 0.180 38.643 38.487 -0.040 0.000 1.305 1713 N HN 0.424 nan 8.380 nan 0.000 0.509 1714 P HA -0.070 nan 4.420 nan 0.000 0.299 1714 P C 1.192 178.414 177.300 -0.129 0.000 1.515 1714 P CA 0.083 63.122 63.100 -0.101 0.000 0.770 1714 P CB 0.145 31.781 31.700 -0.106 0.000 1.614 1715 V N 0.234 120.071 119.914 -0.127 0.000 2.747 1715 V HA -0.159 3.961 4.120 -0.001 0.000 0.147 1715 V C 1.720 177.754 176.094 -0.101 0.000 0.734 1715 V CA 1.444 63.663 62.300 -0.135 0.000 1.291 1715 V CB -0.607 31.153 31.823 -0.105 0.000 0.874 1715 V HN 0.456 nan 8.190 nan 0.000 0.384 1716 N N -1.422 117.234 118.700 -0.073 0.000 1.170 1716 N HA -0.296 4.443 4.740 -0.001 0.000 0.121 1716 N C 0.034 175.503 175.510 -0.069 0.000 0.786 1716 N CA 1.872 54.887 53.050 -0.057 0.000 0.876 1716 N CB -1.242 37.213 38.487 -0.053 0.000 1.094 1716 N HN 0.699 nan 8.380 nan 0.000 0.586 1717 L N 2.648 123.826 121.223 -0.076 0.000 2.858 1717 L HA 0.147 4.487 4.340 -0.001 0.000 0.243 1717 L C 1.467 178.268 176.870 -0.115 0.000 1.416 1717 L CA 1.188 55.966 54.840 -0.104 0.000 1.182 1717 L CB -1.409 40.574 42.059 -0.126 0.000 1.564 1717 L HN 0.566 nan 8.230 nan 0.000 0.436 1718 T N -0.975 113.514 114.554 -0.109 0.000 2.533 1718 T HA -0.044 4.306 4.350 -0.001 0.000 0.366 1718 T C 1.010 175.651 174.700 -0.098 0.000 1.055 1718 T CA -0.110 61.904 62.100 -0.142 0.000 1.043 1718 T CB 0.186 68.919 68.868 -0.224 0.000 1.044 1718 T HN 0.298 nan 8.240 nan 0.000 0.535 1719 I N 2.574 123.008 120.570 -0.227 0.000 3.160 1719 I HA -0.045 4.125 4.170 -0.001 0.000 0.311 1719 I C 1.585 177.655 176.117 -0.078 0.000 1.218 1719 I CA 0.524 61.644 61.300 -0.300 0.000 1.440 1719 I CB -0.032 37.492 38.000 -0.792 0.000 1.310 1719 I HN 0.921 nan 8.210 nan 0.000 0.575 1720 H N 2.851 121.851 119.070 -0.117 0.000 3.935 1720 H HA 0.230 4.785 4.556 -0.001 0.000 0.261 1720 H C -0.142 175.566 175.328 0.633 0.000 1.102 1720 H CA -0.646 55.525 56.048 0.205 0.000 1.176 1720 H CB 0.030 29.848 29.762 0.093 0.000 1.434 1720 H HN 0.483 nan 8.280 nan 0.000 0.778 1721 F N 1.164 120.828 119.950 -0.477 0.000 2.092 1721 F HA -0.051 4.476 4.527 -0.001 0.000 0.464 1721 F C 1.629 177.286 175.800 -0.239 0.000 1.227 1721 F CA 0.641 58.446 58.000 -0.326 0.000 1.492 1721 F CB -0.871 38.033 39.000 -0.160 0.000 2.390 1721 F HN 0.311 nan 8.300 nan 0.000 0.725 1722 G N 1.746 110.508 108.800 -0.063 0.000 2.598 1722 G HA2 0.351 4.311 3.960 -0.001 0.000 0.215 1722 G HA3 0.351 4.311 3.960 -0.001 0.000 0.215 1722 G C 1.156 176.077 174.900 0.036 0.000 1.131 1722 G CA 0.456 45.559 45.100 0.004 0.000 0.785 1722 G HN 2.077 nan 8.290 nan 0.000 0.539 1723 G N 0.743 109.465 108.800 -0.130 0.000 2.306 1723 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.274 1723 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.274 1723 G C 0.129 174.760 174.900 -0.448 0.000 0.890 1723 G CA 0.722 45.310 45.100 -0.852 0.000 1.298 1723 G HN 0.734 nan 8.290 nan 0.000 0.445 1724 E N -0.323 119.751 120.200 -0.210 0.000 2.812 1724 E HA -0.078 4.272 4.350 -0.001 0.000 0.276 1724 E C 1.253 177.845 176.600 -0.015 0.000 0.946 1724 E CA 0.854 57.212 56.400 -0.070 0.000 0.971 1724 E CB 0.273 29.941 29.700 -0.054 0.000 0.960 1724 E HN 0.586 nan 8.360 nan 0.000 0.479 1725 K N 2.038 122.469 120.400 0.053 0.000 2.372 1725 K HA 0.221 4.540 4.320 -0.001 0.000 0.200 1725 K C 0.208 176.843 176.600 0.058 0.000 1.022 1725 K CA 0.133 56.477 56.287 0.095 0.000 1.125 1725 K CB 1.148 33.712 32.500 0.106 0.000 0.855 1725 K HN 0.434 nan 8.250 nan 0.000 0.524 1726 G N 0.449 109.267 108.800 0.031 0.000 2.481 1726 G HA2 0.233 4.192 3.960 -0.001 0.000 0.315 1726 G HA3 0.233 4.192 3.960 -0.001 0.000 0.315 1726 G C -0.004 174.904 174.900 0.014 0.000 1.231 1726 G CA -0.554 44.560 45.100 0.023 0.000 0.968 1726 G HN -0.183 nan 8.290 nan 0.000 0.482 1727 K N -0.213 120.196 120.400 0.015 0.000 4.389 1727 K HA -0.285 4.035 4.320 -0.001 0.000 0.336 1727 K C 2.034 178.639 176.600 0.008 0.000 0.673 1727 K CA 1.902 58.196 56.287 0.011 0.000 1.208 1727 K CB -0.688 31.815 32.500 0.005 0.000 0.819 1727 K HN 0.510 nan 8.250 nan 0.000 0.767 1728 R N 1.620 122.117 120.500 -0.005 0.000 2.417 1728 R HA -0.057 4.283 4.340 -0.001 0.000 0.220 1728 R C 2.112 178.397 176.300 -0.025 0.000 1.128 1728 R CA 0.817 56.908 56.100 -0.014 0.000 1.048 1728 R CB -0.968 29.317 30.300 -0.026 0.000 0.835 1728 R HN 0.612 nan 8.270 nan 0.000 0.483 1729 I N 0.628 121.190 120.570 -0.012 0.000 2.036 1729 I HA -0.355 3.815 4.170 -0.001 0.000 0.231 1729 I C 2.182 178.332 176.117 0.055 0.000 1.044 1729 I CA 1.287 62.585 61.300 -0.003 0.000 1.315 1729 I CB -0.143 37.897 38.000 0.067 0.000 1.051 1729 I HN 0.088 nan 8.210 nan 0.000 0.391 1730 R N 0.557 121.104 120.500 0.079 0.000 2.222 1730 R HA -0.315 4.024 4.340 -0.001 0.000 0.235 1730 R C 2.107 178.460 176.300 0.089 0.000 1.112 1730 R CA 2.849 59.004 56.100 0.091 0.000 0.897 1730 R CB -0.837 29.501 30.300 0.065 0.000 0.882 1730 R HN 0.554 nan 8.270 nan 0.000 0.429 1731 E N -0.562 119.672 120.200 0.057 0.000 2.370 1731 E HA -0.234 4.116 4.350 -0.001 0.000 0.205 1731 E C 1.312 177.961 176.600 0.081 0.000 1.037 1731 E CA 1.175 57.604 56.400 0.047 0.000 0.845 1731 E CB -0.041 29.670 29.700 0.019 0.000 0.753 1731 E HN 0.395 nan 8.360 nan 0.000 0.507 1732 N N -0.726 118.042 118.700 0.113 0.000 3.039 1732 N HA -0.009 4.730 4.740 -0.001 0.000 0.231 1732 N C 0.315 176.011 175.510 0.310 0.000 1.053 1732 N CA 0.060 53.235 53.050 0.207 0.000 1.191 1732 N CB -0.230 38.314 38.487 0.096 0.000 1.597 1732 N HN 0.098 nan 8.380 nan 0.000 0.585 1733 Y N 1.880 122.248 120.300 0.113 0.000 3.040 1733 Y HA -0.045 4.505 4.550 -0.001 0.000 0.356 1733 Y C 1.291 177.219 175.900 0.047 0.000 1.096 1733 Y CA -0.373 57.768 58.100 0.067 0.000 2.058 1733 Y CB -0.080 38.403 38.460 0.038 0.000 2.215 1733 Y HN 0.236 nan 8.280 nan 0.000 0.404 1734 S N 0.145 115.987 115.700 0.236 0.000 7.376 1734 S HA -0.025 4.444 4.470 -0.001 0.000 0.042 1734 S C -0.266 174.428 174.600 0.157 0.000 1.533 1734 S CA 0.044 58.364 58.200 0.200 0.000 0.942 1734 S CB -1.336 61.954 63.200 0.149 0.000 0.854 1734 S HN 0.453 nan 8.310 nan 0.000 0.540 1735 A N 3.213 126.098 122.820 0.108 0.000 2.591 1735 A HA 0.406 4.725 4.320 -0.001 0.000 0.244 1735 A C 1.539 179.131 177.584 0.014 0.000 1.031 1735 A CA 1.384 53.451 52.037 0.051 0.000 0.767 1735 A CB -0.677 18.347 19.000 0.040 0.000 0.942 1735 A HN 1.219 nan 8.150 nan 0.000 0.514 1736 M N -0.232 119.335 119.600 -0.054 0.000 2.788 1736 M HA -0.239 4.241 4.480 -0.001 0.000 0.141 1736 M C 0.421 176.592 176.300 -0.216 0.000 0.705 1736 M CA 1.505 56.709 55.300 -0.159 0.000 0.538 1736 M CB -1.975 30.526 32.600 -0.166 0.000 1.991 1736 M HN 0.687 nan 8.290 nan 0.000 0.256 1737 I N 0.518 121.008 120.570 -0.132 0.000 2.385 1737 I HA 0.332 4.501 4.170 -0.001 0.000 0.294 1737 I C 1.178 177.370 176.117 0.125 0.000 0.988 1737 I CA 0.327 61.572 61.300 -0.092 0.000 1.265 1737 I CB 1.168 39.180 38.000 0.020 0.000 1.388 1737 I HN 0.597 nan 8.210 nan 0.000 0.480 1738 F N 4.648 124.533 119.950 -0.108 0.000 2.494 1738 F HA -0.303 4.223 4.527 -0.001 0.000 0.709 1738 F C 1.286 177.037 175.800 -0.082 0.000 0.488 1738 F CA 1.619 59.566 58.000 -0.089 0.000 0.931 1738 F CB -0.951 38.005 39.000 -0.074 0.000 1.752 1738 F HN 0.528 nan 8.300 nan 0.000 0.270 1739 E N 2.322 122.371 120.200 -0.251 0.000 2.510 1739 E HA 0.046 4.396 4.350 -0.001 0.000 0.202 1739 E C 0.934 177.377 176.600 -0.262 0.000 1.072 1739 E CA 1.034 57.222 56.400 -0.354 0.000 0.883 1739 E CB -1.322 28.270 29.700 -0.179 0.000 0.818 1739 E HN 0.704 nan 8.360 nan 0.000 0.548 1740 T N 0.427 114.845 114.554 -0.227 0.000 2.928 1740 T HA 0.392 4.741 4.350 -0.001 0.000 0.305 1740 T C 0.589 175.233 174.700 -0.095 0.000 1.035 1740 T CA -0.181 61.813 62.100 -0.177 0.000 1.145 1740 T CB 0.547 69.307 68.868 -0.181 0.000 0.963 1740 T HN 0.001 nan 8.240 nan 0.000 0.545 1741 I N 2.217 122.802 120.570 0.025 0.000 2.548 1741 I HA 0.431 4.601 4.170 -0.001 0.000 0.287 1741 I C -0.606 175.526 176.117 0.024 0.000 1.103 1741 I CA -1.188 60.111 61.300 -0.002 0.000 1.049 1741 I CB 2.113 40.096 38.000 -0.029 0.000 1.232 1741 I HN 0.398 nan 8.210 nan 0.000 0.429 1742 V N 4.301 124.205 119.914 -0.017 0.000 2.769 1742 V HA 0.370 4.490 4.120 -0.001 0.000 0.312 1742 V C -0.080 175.982 176.094 -0.053 0.000 1.058 1742 V CA -0.379 61.898 62.300 -0.039 0.000 0.952 1742 V CB 2.363 34.162 31.823 -0.040 0.000 1.019 1742 V HN 0.737 nan 8.190 nan 0.000 0.445 1743 D N 1.908 122.271 120.400 -0.061 0.000 2.696 1743 D HA 0.193 4.833 4.640 -0.001 0.000 0.269 1743 D C 1.427 177.694 176.300 -0.056 0.000 1.319 1743 D CA 0.432 54.398 54.000 -0.057 0.000 0.826 1743 D CB 1.144 41.911 40.800 -0.055 0.000 1.086 1743 D HN 0.757 nan 8.370 nan 0.000 0.481 1744 G N 0.610 109.373 108.800 -0.062 0.000 2.446 1744 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.217 1744 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.217 1744 G C 0.960 175.826 174.900 -0.056 0.000 1.168 1744 G CA 0.881 45.942 45.100 -0.064 0.000 0.771 1744 G HN 0.003 nan 8.290 nan 0.000 0.551 1745 K N -0.383 119.983 120.400 -0.056 0.000 2.422 1745 K HA 0.570 4.890 4.320 -0.001 0.000 0.251 1745 K C 0.094 176.667 176.600 -0.046 0.000 0.933 1745 K CA -0.797 55.461 56.287 -0.048 0.000 0.798 1745 K CB 2.450 34.919 32.500 -0.051 0.000 1.238 1745 K HN 0.170 nan 8.250 nan 0.000 0.428 1746 L N 0.886 122.087 121.223 -0.038 0.000 0.640 1746 L HA -0.399 3.940 4.340 -0.001 0.000 0.357 1746 L C 1.480 178.326 176.870 -0.040 0.000 1.037 1746 L CA 0.705 55.523 54.840 -0.036 0.000 1.221 1746 L CB -0.280 41.757 42.059 -0.037 0.000 0.028 1746 L HN 0.757 nan 8.230 nan 0.000 0.112 1747 K N -0.578 119.800 120.400 -0.037 0.000 2.007 1747 K HA -0.035 4.285 4.320 -0.001 0.000 0.206 1747 K C 0.736 177.307 176.600 -0.047 0.000 1.047 1747 K CA 1.859 58.122 56.287 -0.040 0.000 0.937 1747 K CB -0.106 32.373 32.500 -0.035 0.000 0.718 1747 K HN 0.786 nan 8.250 nan 0.000 0.438 1748 T N 0.084 114.608 114.554 -0.049 0.000 3.042 1748 T HA 0.260 4.610 4.350 -0.001 0.000 0.356 1748 T C -0.681 173.981 174.700 -0.063 0.000 1.233 1748 T CA -0.722 61.341 62.100 -0.061 0.000 1.038 1748 T CB 0.862 69.691 68.868 -0.066 0.000 1.089 1748 T HN 0.080 nan 8.240 nan 0.000 0.531 1749 E N 3.370 123.530 120.200 -0.066 0.000 2.683 1749 E HA 0.198 4.548 4.350 -0.001 0.000 0.224 1749 E C -0.550 176.009 176.600 -0.068 0.000 1.046 1749 E CA -0.698 55.663 56.400 -0.064 0.000 0.811 1749 E CB 0.440 30.102 29.700 -0.063 0.000 1.296 1749 E HN 0.565 nan 8.360 nan 0.000 0.421 1750 K N 4.264 124.612 120.400 -0.086 0.000 2.361 1750 K HA 0.079 4.399 4.320 -0.001 0.000 0.283 1750 K C 0.346 176.925 176.600 -0.035 0.000 1.078 1750 K CA -0.305 55.911 56.287 -0.117 0.000 1.041 1750 K CB 0.300 32.649 32.500 -0.252 0.000 0.932 1750 K HN 0.517 nan 8.250 nan 0.000 0.462 1751 I N 4.659 125.212 120.570 -0.028 0.000 3.431 1751 I HA -0.275 3.895 4.170 -0.001 0.000 0.303 1751 I C 0.517 176.702 176.117 0.113 0.000 1.138 1751 I CA 1.186 62.499 61.300 0.021 0.000 1.939 1751 I CB -1.797 36.196 38.000 -0.012 0.000 1.175 1751 I HN 0.749 nan 8.210 nan 0.000 0.415 1752 F N 5.447 125.351 119.950 -0.076 0.000 1.948 1752 F HA -0.339 4.187 4.527 -0.001 0.000 0.214 1752 F C 1.437 177.159 175.800 -0.130 0.000 1.018 1752 F CA 0.802 58.737 58.000 -0.109 0.000 0.779 1752 F CB 0.380 39.291 39.000 -0.148 0.000 1.126 1752 F HN 0.719 nan 8.300 nan 0.000 0.743 1753 K N 2.957 123.571 120.400 0.357 0.000 2.675 1753 K HA -0.017 4.303 4.320 -0.001 0.000 0.326 1753 K C 1.195 177.869 176.600 0.122 0.000 0.935 1753 K CA 0.484 56.912 56.287 0.234 0.000 1.085 1753 K CB -0.119 32.466 32.500 0.142 0.000 1.096 1753 K HN 0.705 nan 8.250 nan 0.000 0.644 1754 E N -1.129 119.081 120.200 0.016 0.000 5.052 1754 E HA -0.235 4.114 4.350 -0.001 0.000 0.167 1754 E C 1.223 177.645 176.600 -0.297 0.000 1.146 1754 E CA 1.826 58.135 56.400 -0.152 0.000 2.262 1754 E CB -1.523 27.972 29.700 -0.343 0.000 1.785 1754 E HN 0.578 nan 8.360 nan 0.000 0.455 1755 I N 2.137 122.515 120.570 -0.320 0.000 2.908 1755 I HA -0.191 3.978 4.170 -0.001 0.000 0.271 1755 I C 0.809 176.562 176.117 -0.606 0.000 1.275 1755 I CA 1.391 62.453 61.300 -0.397 0.000 1.446 1755 I CB -2.834 35.069 38.000 -0.162 0.000 1.092 1755 I HN 0.464 nan 8.210 nan 0.000 0.482 1756 N N 3.120 121.475 118.700 -0.576 0.000 1.903 1756 N HA -0.221 4.519 4.740 -0.001 0.000 0.309 1756 N C 0.764 175.874 175.510 -0.667 0.000 1.241 1756 N CA 0.718 53.382 53.050 -0.644 0.000 0.802 1756 N CB 0.285 38.531 38.487 -0.402 0.000 1.026 1756 N HN 0.213 nan 8.380 nan 0.000 0.492 1757 E N 1.240 121.044 120.200 -0.660 0.000 3.580 1757 E HA -0.421 3.929 4.350 -0.001 0.000 0.462 1757 E C 1.410 177.783 176.600 -0.379 0.000 1.581 1757 E CA 2.528 58.647 56.400 -0.469 0.000 1.318 1757 E CB -1.557 27.889 29.700 -0.423 0.000 1.168 1757 E HN 0.956 nan 8.360 nan 0.000 0.374 1758 H N 0.940 119.941 119.070 -0.115 0.000 2.716 1758 H HA 0.038 4.594 4.556 -0.001 0.000 0.303 1758 H C 1.025 176.286 175.328 -0.112 0.000 1.022 1758 H CA 1.180 57.188 56.048 -0.065 0.000 1.149 1758 H CB -1.032 28.710 29.762 -0.032 0.000 1.499 1758 H HN 0.370 nan 8.280 nan 0.000 0.698 1759 S N 1.542 117.243 115.700 0.001 0.000 3.964 1759 S HA -0.156 4.313 4.470 -0.001 0.000 0.265 1759 S C -0.389 174.125 174.600 -0.144 0.000 0.774 1759 S CA 0.521 58.687 58.200 -0.057 0.000 1.337 1759 S CB -1.158 61.923 63.200 -0.199 0.000 1.768 1759 S HN 0.666 nan 8.310 nan 0.000 0.414 1760 T N 4.732 119.287 114.554 0.001 0.000 2.869 1760 T HA 0.529 4.878 4.350 -0.001 0.000 0.295 1760 T C 0.197 174.941 174.700 0.073 0.000 0.987 1760 T CA 0.300 62.450 62.100 0.082 0.000 1.109 1760 T CB 1.027 70.050 68.868 0.260 0.000 0.932 1760 T HN 2.129 nan 8.240 nan 0.000 0.518 1761 S N 1.624 117.400 115.700 0.127 0.000 3.080 1761 S HA -0.165 4.304 4.470 -0.001 0.000 0.790 1761 S C -0.618 174.107 174.600 0.207 0.000 0.736 1761 S CA -0.603 57.782 58.200 0.309 0.000 1.493 1761 S CB -1.815 61.595 63.200 0.350 0.000 1.047 1761 S HN 0.728 nan 8.310 nan 0.000 0.709 1762 Y N 3.476 123.822 120.300 0.077 0.000 2.540 1762 Y HA 0.757 5.307 4.550 -0.001 0.000 0.371 1762 Y C 0.905 176.943 175.900 0.231 0.000 1.337 1762 Y CA -0.402 57.738 58.100 0.066 0.000 1.590 1762 Y CB 1.093 39.620 38.460 0.111 0.000 1.676 1762 Y HN 1.184 nan 8.280 nan 0.000 0.614 1763 T N 3.341 117.914 114.554 0.031 0.000 3.746 1763 T HA 0.267 4.616 4.350 -0.001 0.000 0.254 1763 T C -0.834 173.785 174.700 -0.136 0.000 0.628 1763 T CA -0.560 61.536 62.100 -0.007 0.000 1.163 1763 T CB -1.125 67.782 68.868 0.066 0.000 1.083 1763 T HN 0.417 nan 8.240 nan 0.000 0.521 1764 F N 2.467 122.139 119.950 -0.463 0.000 2.532 1764 F HA 0.511 5.038 4.527 -0.001 0.000 0.323 1764 F C 1.250 176.935 175.800 -0.191 0.000 1.234 1764 F CA -0.717 57.083 58.000 -0.333 0.000 1.323 1764 F CB 0.550 39.471 39.000 -0.132 0.000 1.183 1764 F HN 0.461 nan 8.300 nan 0.000 0.589 1765 R N -0.273 120.270 120.500 0.072 0.000 5.523 1765 R HA 0.239 4.578 4.340 -0.001 0.000 0.269 1765 R C -1.546 174.756 176.300 0.003 0.000 0.936 1765 R CA -0.554 55.542 56.100 -0.006 0.000 1.517 1765 R CB -0.030 30.256 30.300 -0.023 0.000 1.223 1765 R HN 0.718 nan 8.270 nan 0.000 0.672 1766 S N 1.215 116.902 115.700 -0.021 0.000 2.718 1766 S HA 0.487 4.957 4.470 -0.001 0.000 0.292 1766 S C 0.145 174.736 174.600 -0.014 0.000 1.125 1766 S CA -0.635 57.563 58.200 -0.003 0.000 1.013 1766 S CB 1.674 64.870 63.200 -0.007 0.000 1.192 1766 S HN 0.762 nan 8.310 nan 0.000 0.535 1767 E N -0.705 119.492 120.200 -0.005 0.000 2.921 1767 E HA 0.280 4.630 4.350 -0.001 0.000 0.203 1767 E C -0.300 176.296 176.600 -0.007 0.000 0.975 1767 E CA -0.171 56.224 56.400 -0.009 0.000 1.225 1767 E CB 0.531 30.232 29.700 0.001 0.000 1.048 1767 E HN 0.590 nan 8.360 nan 0.000 0.477 1768 K N -0.311 120.085 120.400 -0.007 0.000 2.554 1768 K HA 0.273 4.592 4.320 -0.001 0.000 0.211 1768 K C 0.322 176.917 176.600 -0.008 0.000 1.226 1768 K CA 0.147 56.433 56.287 -0.002 0.000 1.025 1768 K CB 2.401 34.906 32.500 0.010 0.000 1.021 1768 K HN 0.080 nan 8.250 nan 0.000 0.600 1769 G N 2.241 111.028 108.800 -0.022 0.000 2.409 1769 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.231 1769 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.231 1769 G C 0.018 174.887 174.900 -0.050 0.000 3.185 1769 G CA -0.656 44.426 45.100 -0.031 0.000 0.941 1769 G HN 0.133 nan 8.290 nan 0.000 0.556 1770 L N 1.012 122.170 121.223 -0.107 0.000 2.357 1770 L HA 0.029 4.368 4.340 -0.001 0.000 0.220 1770 L C 1.914 178.664 176.870 -0.199 0.000 1.123 1770 L CA 1.035 55.756 54.840 -0.198 0.000 0.782 1770 L CB 0.045 41.895 42.059 -0.347 0.000 0.910 1770 L HN 0.466 nan 8.230 nan 0.000 0.442 1771 L N 0.282 121.445 121.223 -0.101 0.000 3.062 1771 L HA 0.050 4.389 4.340 -0.001 0.000 0.264 1771 L C 0.778 177.686 176.870 0.064 0.000 1.242 1771 L CA 0.843 55.680 54.840 -0.004 0.000 1.072 1771 L CB -1.216 40.853 42.059 0.016 0.000 1.420 1771 L HN 0.641 nan 8.230 nan 0.000 0.412 1772 S N -2.561 113.178 115.700 0.065 0.000 4.244 1772 S HA 0.683 5.152 4.470 -0.001 0.000 0.239 1772 S C 0.959 175.652 174.600 0.155 0.000 1.097 1772 S CA 0.014 58.279 58.200 0.109 0.000 1.376 1772 S CB 0.369 63.612 63.200 0.071 0.000 1.691 1772 S HN 0.822 nan 8.310 nan 0.000 0.661 1773 A N 0.642 123.536 122.820 0.123 0.000 2.910 1773 A HA -0.180 4.140 4.320 -0.001 0.000 0.267 1773 A C 1.176 178.875 177.584 0.192 0.000 1.310 1773 A CA 1.989 54.114 52.037 0.147 0.000 0.934 1773 A CB -2.965 16.133 19.000 0.163 0.000 1.057 1773 A HN 1.979 nan 8.150 nan 0.000 0.742 1774 T N -1.796 112.871 114.554 0.189 0.000 4.358 1774 T HA -0.371 3.979 4.350 -0.001 0.000 0.338 1774 T C 0.818 175.649 174.700 0.218 0.000 0.805 1774 T CA 2.353 64.562 62.100 0.182 0.000 1.909 1774 T CB -1.068 67.879 68.868 0.131 0.000 2.045 1774 T HN 1.084 nan 8.240 nan 0.000 0.835 1775 Q N -1.791 118.205 119.800 0.327 0.000 2.378 1775 Q HA 0.255 4.595 4.340 -0.001 0.000 0.216 1775 Q C 1.170 177.424 176.000 0.423 0.000 0.892 1775 Q CA 0.404 56.422 55.803 0.358 0.000 0.931 1775 Q CB 0.315 29.300 28.738 0.412 0.000 1.086 1775 Q HN 0.625 nan 8.270 nan 0.000 0.528 1776 F N -1.787 118.322 119.950 0.265 0.000 2.496 1776 F HA 0.165 4.692 4.527 -0.001 0.000 0.274 1776 F C 2.073 177.968 175.800 0.159 0.000 0.924 1776 F CA 0.658 58.797 58.000 0.232 0.000 1.147 1776 F CB -0.252 38.844 39.000 0.161 0.000 0.969 1776 F HN -0.103 nan 8.300 nan 0.000 0.749 1777 T N 1.090 115.848 114.554 0.339 0.000 2.635 1777 T HA -0.356 3.994 4.350 -0.001 0.000 0.265 1777 T C 1.826 176.623 174.700 0.161 0.000 1.058 1777 T CA 2.370 64.596 62.100 0.210 0.000 1.162 1777 T CB -0.646 68.323 68.868 0.169 0.000 0.859 1777 T HN 0.323 nan 8.240 nan 0.000 0.449 1778 Q N 0.649 120.538 119.800 0.147 0.000 1.956 1778 Q HA -0.112 4.227 4.340 -0.001 0.000 0.208 1778 Q C -0.182 175.858 176.000 0.067 0.000 0.998 1778 Q CA 1.688 57.538 55.803 0.079 0.000 0.855 1778 Q CB -1.549 27.224 28.738 0.058 0.000 0.928 1778 Q HN 0.408 nan 8.270 nan 0.000 0.418 1779 P HA -0.294 nan 4.420 nan 0.000 0.222 1779 P C 0.745 178.051 177.300 0.011 0.000 1.155 1779 P CA 2.378 65.512 63.100 0.057 0.000 0.890 1779 P CB -0.143 31.554 31.700 -0.005 0.000 0.790 1780 A N -1.014 121.852 122.820 0.076 0.000 1.838 1780 A HA -0.092 4.227 4.320 -0.001 0.000 0.215 1780 A C 2.181 179.797 177.584 0.053 0.000 1.273 1780 A CA 1.077 53.180 52.037 0.111 0.000 0.602 1780 A CB -1.519 17.596 19.000 0.192 0.000 0.934 1780 A HN 0.041 nan 8.150 nan 0.000 0.461 1781 L N 0.040 121.311 121.223 0.079 0.000 2.171 1781 L HA -0.292 4.048 4.340 -0.001 0.000 0.216 1781 L C 2.662 179.533 176.870 0.001 0.000 1.084 1781 L CA 1.864 56.738 54.840 0.056 0.000 0.771 1781 L CB -1.023 41.075 42.059 0.064 0.000 0.890 1781 L HN 0.511 nan 8.230 nan 0.000 0.437 1782 T N -0.247 114.288 114.554 -0.032 0.000 2.613 1782 T HA -0.186 4.164 4.350 -0.001 0.000 0.248 1782 T C 1.847 176.458 174.700 -0.148 0.000 1.107 1782 T CA 0.894 62.950 62.100 -0.073 0.000 1.238 1782 T CB -0.519 68.300 68.868 -0.082 0.000 0.899 1782 T HN 0.213 nan 8.240 nan 0.000 0.400 1783 L N 0.982 122.067 121.223 -0.229 0.000 2.082 1783 L HA -0.280 4.059 4.340 -0.001 0.000 0.223 1783 L C 2.637 179.119 176.870 -0.646 0.000 1.086 1783 L CA 1.847 56.396 54.840 -0.485 0.000 0.793 1783 L CB -0.397 41.284 42.059 -0.630 0.000 0.896 1783 L HN 0.386 nan 8.230 nan 0.000 0.441 1784 M N 0.011 119.345 119.600 -0.444 0.000 2.399 1784 M HA -0.342 4.138 4.480 -0.001 0.000 0.263 1784 M C 2.037 178.285 176.300 -0.087 0.000 1.067 1784 M CA 2.594 57.800 55.300 -0.157 0.000 1.084 1784 M CB -0.792 31.867 32.600 0.099 0.000 1.252 1784 M HN 0.348 nan 8.290 nan 0.000 0.454 1785 E N 0.104 120.279 120.200 -0.041 0.000 2.086 1785 E HA -0.297 4.053 4.350 -0.001 0.000 0.200 1785 E C 1.896 178.495 176.600 -0.002 0.000 1.012 1785 E CA 2.002 58.402 56.400 -0.001 0.000 0.812 1785 E CB -0.350 29.347 29.700 -0.006 0.000 0.743 1785 E HN 0.386 nan 8.360 nan 0.000 0.453 1786 K N 1.344 121.698 120.400 -0.078 0.000 1.990 1786 K HA -0.282 4.037 4.320 -0.001 0.000 0.225 1786 K C 1.939 178.535 176.600 -0.006 0.000 1.053 1786 K CA 2.115 58.367 56.287 -0.059 0.000 0.982 1786 K CB -0.976 31.431 32.500 -0.155 0.000 0.734 1786 K HN 0.119 nan 8.250 nan 0.000 0.448 1787 A N 0.586 123.322 122.820 -0.140 0.000 1.873 1787 A HA -0.275 4.044 4.320 -0.001 0.000 0.219 1787 A C 2.450 180.066 177.584 0.053 0.000 1.269 1787 A CA 3.842 55.841 52.037 -0.062 0.000 0.671 1787 A CB -1.771 17.187 19.000 -0.070 0.000 0.842 1787 A HN 0.686 nan 8.150 nan 0.000 0.460 1788 A N -1.499 121.368 122.820 0.079 0.000 1.944 1788 A HA -0.250 4.070 4.320 -0.001 0.000 0.222 1788 A C 2.057 179.691 177.584 0.084 0.000 1.237 1788 A CA 2.443 54.535 52.037 0.092 0.000 0.668 1788 A CB -1.000 18.058 19.000 0.097 0.000 0.830 1788 A HN 0.916 nan 8.150 nan 0.000 0.471 1789 F N 0.678 120.607 119.950 -0.034 0.000 1.997 1789 F HA -0.195 4.331 4.527 -0.001 0.000 0.296 1789 F C 2.347 178.128 175.800 -0.033 0.000 1.160 1789 F CA 2.234 60.207 58.000 -0.045 0.000 1.176 1789 F CB -0.580 38.381 39.000 -0.067 0.000 0.964 1789 F HN 0.310 nan 8.300 nan 0.000 0.484 1790 E N 0.455 120.666 120.200 0.018 0.000 2.241 1790 E HA -0.428 3.922 4.350 -0.001 0.000 0.244 1790 E C 1.909 178.405 176.600 -0.174 0.000 1.070 1790 E CA 2.123 58.478 56.400 -0.075 0.000 0.998 1790 E CB -1.523 28.186 29.700 0.017 0.000 0.879 1790 E HN 0.620 nan 8.360 nan 0.000 0.501 1791 D N 0.606 120.954 120.400 -0.086 0.000 2.242 1791 D HA -0.216 4.423 4.640 -0.001 0.000 0.190 1791 D C 2.123 178.337 176.300 -0.143 0.000 1.012 1791 D CA 2.163 56.118 54.000 -0.075 0.000 0.875 1791 D CB -0.312 40.474 40.800 -0.024 0.000 0.922 1791 D HN 0.175 nan 8.370 nan 0.000 0.448 1792 L N -0.554 120.528 121.223 -0.236 0.000 1.921 1792 L HA -0.196 4.144 4.340 -0.001 0.000 0.219 1792 L C 2.589 179.269 176.870 -0.316 0.000 1.081 1792 L CA 1.680 56.346 54.840 -0.290 0.000 0.771 1792 L CB -1.011 40.805 42.059 -0.404 0.000 0.888 1792 L HN 0.064 nan 8.230 nan 0.000 0.433 1793 K N 0.346 120.438 120.400 -0.514 0.000 2.218 1793 K HA -0.184 4.136 4.320 -0.001 0.000 0.205 1793 K C 2.260 178.747 176.600 -0.187 0.000 1.046 1793 K CA 1.621 57.707 56.287 -0.335 0.000 0.933 1793 K CB -0.433 31.851 32.500 -0.360 0.000 0.728 1793 K HN 0.259 nan 8.250 nan 0.000 0.454 1794 S N 0.391 115.984 115.700 -0.179 0.000 2.354 1794 S HA -0.141 4.328 4.470 -0.001 0.000 0.219 1794 S C 1.580 176.133 174.600 -0.077 0.000 1.035 1794 S CA 1.468 59.610 58.200 -0.097 0.000 1.037 1794 S CB -0.219 62.936 63.200 -0.075 0.000 0.956 1794 S HN 0.412 nan 8.310 nan 0.000 0.428 1795 K N 0.646 120.996 120.400 -0.083 0.000 2.555 1795 K HA 0.127 4.447 4.320 -0.001 0.000 0.193 1795 K C 0.678 177.239 176.600 -0.065 0.000 1.032 1795 K CA 0.442 56.692 56.287 -0.061 0.000 1.004 1795 K CB -0.554 31.914 32.500 -0.054 0.000 0.804 1795 K HN 0.614 nan 8.250 nan 0.000 0.496 1796 G N 1.488 110.236 108.800 -0.086 0.000 2.684 1796 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.229 1796 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.229 1796 G C 0.098 174.953 174.900 -0.075 0.000 0.927 1796 G CA -0.310 44.745 45.100 -0.076 0.000 1.147 1796 G HN 0.314 nan 8.290 nan 0.000 0.402 1797 L N 1.890 123.053 121.223 -0.100 0.000 3.503 1797 L HA 0.339 4.679 4.340 -0.001 0.000 0.327 1797 L C 0.832 177.662 176.870 -0.068 0.000 1.108 1797 L CA -0.565 54.227 54.840 -0.080 0.000 1.214 1797 L CB 0.048 42.050 42.059 -0.095 0.000 1.806 1797 L HN 0.388 nan 8.230 nan 0.000 0.610 1798 I N 4.509 125.024 120.570 -0.092 0.000 2.337 1798 I HA 0.201 4.371 4.170 -0.001 0.000 0.291 1798 I C -2.001 174.119 176.117 0.006 0.000 1.046 1798 I CA -1.859 59.422 61.300 -0.031 0.000 1.324 1798 I CB 1.023 39.014 38.000 -0.015 0.000 1.409 1798 I HN -0.107 nan 8.210 nan 0.000 0.494 1799 P HA 0.180 nan 4.420 nan 0.000 0.280 1799 P C 0.691 178.022 177.300 0.052 0.000 1.386 1799 P CA -0.186 62.931 63.100 0.029 0.000 0.899 1799 P CB 1.014 32.728 31.700 0.024 0.000 1.098 1800 A N 4.869 127.722 122.820 0.056 0.000 1.836 1800 A HA -0.261 4.058 4.320 -0.001 0.000 0.269 1800 A C 0.967 178.612 177.584 0.103 0.000 2.597 1800 A CA 2.380 54.463 52.037 0.076 0.000 0.810 1800 A CB -1.650 17.384 19.000 0.057 0.000 0.833 1800 A HN 0.682 nan 8.150 nan 0.000 0.542 1801 D N -0.539 119.911 120.400 0.084 0.000 2.428 1801 D HA 0.605 5.245 4.640 -0.001 0.000 0.221 1801 D C -0.274 176.088 176.300 0.102 0.000 1.123 1801 D CA 0.518 54.576 54.000 0.096 0.000 0.869 1801 D CB 0.852 41.689 40.800 0.062 0.000 1.032 1801 D HN 0.664 nan 8.370 nan 0.000 0.506 1802 A N 2.360 125.276 122.820 0.159 0.000 2.564 1802 A HA 0.726 5.046 4.320 -0.001 0.000 0.288 1802 A C -0.282 177.431 177.584 0.216 0.000 1.164 1802 A CA -0.835 51.277 52.037 0.125 0.000 0.712 1802 A CB 1.452 20.480 19.000 0.046 0.000 1.303 1802 A HN 0.474 nan 8.150 nan 0.000 0.418 1803 T N -0.553 114.087 114.554 0.144 0.000 2.811 1803 T HA 0.594 4.943 4.350 -0.001 0.000 0.309 1803 T C -0.874 173.948 174.700 0.203 0.000 1.005 1803 T CA -0.243 61.968 62.100 0.184 0.000 0.955 1803 T CB -0.823 68.098 68.868 0.089 0.000 0.970 1803 T HN 0.267 nan 8.240 nan 0.000 0.496 1804 F N 2.710 122.639 119.950 -0.034 0.000 2.504 1804 F HA 0.541 5.068 4.527 -0.001 0.000 0.369 1804 F C 0.887 176.657 175.800 -0.049 0.000 1.082 1804 F CA -0.833 57.134 58.000 -0.056 0.000 1.216 1804 F CB 0.170 39.126 39.000 -0.073 0.000 1.108 1804 F HN 0.875 nan 8.300 nan 0.000 0.554 1805 A N 2.056 124.928 122.820 0.087 0.000 2.435 1805 A HA 0.916 5.236 4.320 -0.001 0.000 0.304 1805 A C -0.191 177.408 177.584 0.025 0.000 1.064 1805 A CA -0.042 52.022 52.037 0.044 0.000 0.727 1805 A CB 1.510 20.521 19.000 0.019 0.000 1.284 1805 A HN 0.917 nan 8.150 nan 0.000 0.415 1806 G N -0.756 108.054 108.800 0.017 0.000 2.975 1806 G HA2 0.653 4.612 3.960 -0.001 0.000 0.291 1806 G HA3 0.653 4.612 3.960 -0.001 0.000 0.291 1806 G C -1.398 173.523 174.900 0.035 0.000 1.334 1806 G CA -0.394 44.719 45.100 0.023 0.000 0.843 1806 G HN 1.646 nan 8.290 nan 0.000 0.548 1807 H N -1.864 117.127 119.070 -0.131 0.000 3.351 1807 H HA 0.404 4.959 4.556 -0.001 0.000 0.334 1807 H C 0.363 175.544 175.328 -0.245 0.000 1.557 1807 H CA 0.973 56.862 56.048 -0.265 0.000 1.622 1807 H CB 0.796 30.436 29.762 -0.204 0.000 2.460 1807 H HN 1.418 nan 8.280 nan 0.000 0.344 1808 S N 2.811 118.024 115.700 -0.811 0.000 4.157 1808 S HA -0.351 4.119 4.470 -0.001 0.000 0.521 1808 S C 0.890 175.454 174.600 -0.060 0.000 1.858 1808 S CA 2.470 60.424 58.200 -0.409 0.000 4.242 1808 S CB -1.324 61.746 63.200 -0.217 0.000 0.300 1808 S HN 0.815 nan 8.310 nan 0.000 0.454 1809 L N 1.756 122.973 121.223 -0.011 0.000 2.577 1809 L HA 0.577 4.917 4.340 -0.001 0.000 0.225 1809 L C 2.274 179.214 176.870 0.116 0.000 1.053 1809 L CA 1.782 56.613 54.840 -0.015 0.000 0.866 1809 L CB -0.925 41.060 42.059 -0.123 0.000 1.132 1809 L HN 0.630 nan 8.230 nan 0.000 0.486 1810 G N -0.294 108.557 108.800 0.083 0.000 2.631 1810 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.221 1810 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.221 1810 G C 1.266 176.233 174.900 0.112 0.000 1.095 1810 G CA 1.124 46.279 45.100 0.092 0.000 0.727 1810 G HN 0.548 nan 8.290 nan 0.000 0.587 1811 E N -0.617 119.683 120.200 0.168 0.000 2.072 1811 E HA -0.092 4.258 4.350 -0.001 0.000 0.190 1811 E C 1.955 178.632 176.600 0.128 0.000 0.982 1811 E CA 0.714 57.177 56.400 0.104 0.000 0.803 1811 E CB -0.199 29.508 29.700 0.011 0.000 0.755 1811 E HN 0.757 nan 8.360 nan 0.000 0.453 1812 Y N 0.478 120.760 120.300 -0.031 0.000 2.403 1812 Y HA -0.058 4.491 4.550 -0.001 0.000 0.291 1812 Y C 1.936 177.800 175.900 -0.059 0.000 1.143 1812 Y CA -0.007 58.074 58.100 -0.032 0.000 1.257 1812 Y CB -0.063 38.384 38.460 -0.022 0.000 0.984 1812 Y HN -0.019 nan 8.280 nan 0.000 0.550 1813 A N 0.186 123.084 122.820 0.130 0.000 2.190 1813 A HA 0.380 4.700 4.320 -0.001 0.000 0.226 1813 A C 1.362 178.893 177.584 -0.088 0.000 1.402 1813 A CA 1.123 53.162 52.037 0.003 0.000 1.288 1813 A CB -1.170 17.837 19.000 0.013 0.000 0.833 1813 A HN 0.494 nan 8.150 nan 0.000 0.564 1814 A N -1.572 121.189 122.820 -0.098 0.000 2.731 1814 A HA 0.196 4.516 4.320 -0.001 0.000 0.140 1814 A C 1.316 178.874 177.584 -0.042 0.000 1.416 1814 A CA 0.446 52.370 52.037 -0.187 0.000 2.054 1814 A CB -0.667 18.303 19.000 -0.051 0.000 2.031 1814 A HN 0.278 nan 8.150 nan 0.000 0.920 1815 L N 0.887 122.164 121.223 0.089 0.000 2.021 1815 L HA -0.263 4.076 4.340 -0.001 0.000 0.215 1815 L C 3.037 179.911 176.870 0.006 0.000 1.074 1815 L CA 1.949 56.829 54.840 0.068 0.000 0.760 1815 L CB -0.534 41.481 42.059 -0.073 0.000 0.889 1815 L HN 0.630 nan 8.230 nan 0.000 0.433 1816 A N -0.211 122.602 122.820 -0.011 0.000 1.845 1816 A HA -0.173 4.146 4.320 -0.001 0.000 0.215 1816 A C 2.137 179.673 177.584 -0.080 0.000 1.195 1816 A CA 1.939 53.970 52.037 -0.010 0.000 0.616 1816 A CB -0.715 18.310 19.000 0.042 0.000 0.832 1816 A HN 0.540 nan 8.150 nan 0.000 0.443 1817 S N -0.344 115.236 115.700 -0.200 0.000 2.118 1817 S HA 0.361 4.830 4.470 -0.001 0.000 0.175 1817 S C 0.505 174.815 174.600 -0.484 0.000 1.365 1817 S CA -0.160 57.780 58.200 -0.433 0.000 1.837 1817 S CB -1.264 61.451 63.200 -0.809 0.000 0.537 1817 S HN 0.658 nan 8.310 nan 0.000 0.374 1818 L N 1.535 122.132 121.223 -1.042 0.000 4.355 1818 L HA -0.116 4.223 4.340 -0.001 0.000 0.532 1818 L C 0.719 177.562 176.870 -0.044 0.000 0.971 1818 L CA 0.217 54.642 54.840 -0.691 0.000 0.563 1818 L CB -2.007 39.226 42.059 -1.376 0.000 0.785 1818 L HN 1.062 nan 8.230 nan 0.000 1.040 1819 A N 2.635 125.515 122.820 0.099 0.000 1.786 1819 A HA -0.168 4.151 4.320 -0.001 0.000 0.237 1819 A C 0.753 178.403 177.584 0.110 0.000 1.309 1819 A CA 0.582 52.717 52.037 0.163 0.000 0.713 1819 A CB -1.036 18.120 19.000 0.261 0.000 1.194 1819 A HN 0.821 nan 8.150 nan 0.000 0.252 1820 D N -0.170 120.267 120.400 0.062 0.000 2.309 1820 D HA 0.151 4.790 4.640 -0.001 0.000 0.232 1820 D C 1.735 178.049 176.300 0.023 0.000 1.319 1820 D CA 1.426 55.444 54.000 0.030 0.000 0.884 1820 D CB 0.381 41.199 40.800 0.030 0.000 1.237 1820 D HN 1.356 nan 8.370 nan 0.000 0.507 1821 V N -4.219 115.699 119.914 0.006 0.000 4.290 1821 V HA 0.134 4.254 4.120 -0.001 0.000 0.159 1821 V C 0.877 176.967 176.094 -0.008 0.000 1.350 1821 V CA -0.306 61.990 62.300 -0.007 0.000 1.154 1821 V CB -0.172 31.638 31.823 -0.022 0.000 1.236 1821 V HN 0.350 nan 8.190 nan 0.000 0.608 1822 M N 1.417 121.015 119.600 -0.004 0.000 2.248 1822 M HA 0.562 5.041 4.480 -0.001 0.000 0.215 1822 M C 0.061 176.357 176.300 -0.007 0.000 1.103 1822 M CA -0.273 55.027 55.300 -0.001 0.000 1.154 1822 M CB 0.794 33.403 32.600 0.014 0.000 1.218 1822 M HN 0.271 nan 8.290 nan 0.000 0.623 1823 S N 0.370 116.061 115.700 -0.016 0.000 2.462 1823 S HA 0.363 4.832 4.470 -0.001 0.000 0.294 1823 S C 1.104 175.675 174.600 -0.049 0.000 1.144 1823 S CA -0.634 57.546 58.200 -0.032 0.000 1.088 1823 S CB 0.947 64.118 63.200 -0.047 0.000 1.009 1823 S HN 0.537 nan 8.310 nan 0.000 0.484 1824 I N 2.251 122.794 120.570 -0.046 0.000 2.113 1824 I HA -0.331 3.839 4.170 -0.001 0.000 0.242 1824 I C 2.338 178.397 176.117 -0.097 0.000 1.057 1824 I CA 1.511 62.775 61.300 -0.059 0.000 1.314 1824 I CB -0.259 37.711 38.000 -0.050 0.000 1.022 1824 I HN 0.722 nan 8.210 nan 0.000 0.408 1825 E N 0.762 120.879 120.200 -0.138 0.000 1.963 1825 E HA -0.243 4.106 4.350 -0.001 0.000 0.215 1825 E C 2.010 178.431 176.600 -0.298 0.000 0.993 1825 E CA 1.803 58.028 56.400 -0.292 0.000 0.880 1825 E CB -0.934 28.542 29.700 -0.373 0.000 0.811 1825 E HN 0.366 nan 8.360 nan 0.000 0.539 1826 S N 1.696 117.237 115.700 -0.266 0.000 2.432 1826 S HA -0.243 4.226 4.470 -0.001 0.000 0.243 1826 S C 1.914 176.487 174.600 -0.044 0.000 1.069 1826 S CA 1.540 59.656 58.200 -0.141 0.000 1.047 1826 S CB -0.636 62.529 63.200 -0.059 0.000 0.854 1826 S HN 0.320 nan 8.310 nan 0.000 0.474 1827 L N 1.741 122.945 121.223 -0.031 0.000 2.011 1827 L HA -0.162 4.178 4.340 -0.001 0.000 0.225 1827 L C 2.337 179.244 176.870 0.060 0.000 1.084 1827 L CA 2.188 57.047 54.840 0.032 0.000 0.791 1827 L CB -1.180 40.885 42.059 0.009 0.000 0.898 1827 L HN 0.229 nan 8.230 nan 0.000 0.440 1828 V N -0.443 119.496 119.914 0.042 0.000 2.358 1828 V HA -0.294 3.825 4.120 -0.001 0.000 0.246 1828 V C 2.673 178.886 176.094 0.197 0.000 1.047 1828 V CA 2.151 64.532 62.300 0.134 0.000 1.035 1828 V CB -0.417 31.547 31.823 0.235 0.000 0.658 1828 V HN 0.826 nan 8.190 nan 0.000 0.452 1829 E N -0.255 119.994 120.200 0.081 0.000 2.172 1829 E HA -0.285 4.065 4.350 -0.001 0.000 0.213 1829 E C 2.019 178.764 176.600 0.241 0.000 1.051 1829 E CA 2.826 59.289 56.400 0.105 0.000 0.860 1829 E CB -0.665 29.048 29.700 0.022 0.000 0.755 1829 E HN 0.525 nan 8.360 nan 0.000 0.462 1830 V N -1.080 118.965 119.914 0.218 0.000 2.426 1830 V HA -0.102 4.018 4.120 -0.001 0.000 0.242 1830 V C 2.204 178.433 176.094 0.226 0.000 1.036 1830 V CA 1.365 63.825 62.300 0.267 0.000 1.044 1830 V CB -0.087 31.867 31.823 0.219 0.000 0.688 1830 V HN 0.295 nan 8.190 nan 0.000 0.462 1831 V N 0.590 120.589 119.914 0.141 0.000 2.363 1831 V HA -0.314 3.806 4.120 -0.001 0.000 0.254 1831 V C 2.312 178.507 176.094 0.169 0.000 1.074 1831 V CA 2.938 65.242 62.300 0.006 0.000 1.069 1831 V CB -1.075 30.729 31.823 -0.032 0.000 0.659 1831 V HN 0.699 nan 8.190 nan 0.000 0.455 1832 F N -0.520 119.495 119.950 0.108 0.000 2.128 1832 F HA -0.105 4.421 4.527 -0.001 0.000 0.295 1832 F C 2.234 178.134 175.800 0.167 0.000 1.100 1832 F CA 1.288 59.379 58.000 0.152 0.000 1.260 1832 F CB -0.765 38.385 39.000 0.250 0.000 1.009 1832 F HN 0.211 nan 8.300 nan 0.000 0.476 1833 Y N 0.996 121.273 120.300 -0.037 0.000 2.049 1833 Y HA -0.336 4.214 4.550 -0.001 0.000 0.277 1833 Y C 2.948 178.769 175.900 -0.131 0.000 1.143 1833 Y CA 1.542 59.538 58.100 -0.173 0.000 1.115 1833 Y CB -0.363 38.061 38.460 -0.060 0.000 0.975 1833 Y HN -0.074 nan 8.280 nan 0.000 0.487 1834 R N 1.552 122.124 120.500 0.119 0.000 2.185 1834 R HA -0.171 4.168 4.340 -0.001 0.000 0.247 1834 R C 1.833 178.146 176.300 0.023 0.000 1.159 1834 R CA 1.368 57.476 56.100 0.013 0.000 0.988 1834 R CB -1.161 29.149 30.300 0.017 0.000 0.871 1834 R HN 0.561 nan 8.270 nan 0.000 0.458 1835 G N 1.127 109.953 108.800 0.043 0.000 2.866 1835 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.207 1835 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.207 1835 G C 1.597 176.492 174.900 -0.008 0.000 1.402 1835 G CA 0.990 46.117 45.100 0.045 0.000 0.830 1835 G HN 0.254 nan 8.290 nan 0.000 0.644 1836 M N 0.111 119.645 119.600 -0.111 0.000 2.190 1836 M HA -0.225 4.255 4.480 -0.001 0.000 0.252 1836 M C 2.752 179.031 176.300 -0.035 0.000 1.076 1836 M CA 2.520 57.758 55.300 -0.103 0.000 1.079 1836 M CB -1.226 31.243 32.600 -0.219 0.000 1.303 1836 M HN 0.336 nan 8.290 nan 0.000 0.412 1837 T N 0.402 114.951 114.554 -0.009 0.000 2.653 1837 T HA -0.264 4.085 4.350 -0.001 0.000 0.268 1837 T C 1.465 176.144 174.700 -0.033 0.000 1.035 1837 T CA 1.805 63.893 62.100 -0.020 0.000 1.154 1837 T CB -0.383 68.448 68.868 -0.061 0.000 0.862 1837 T HN 0.481 nan 8.240 nan 0.000 0.441 1838 M N 0.826 120.414 119.600 -0.019 0.000 2.800 1838 M HA -0.044 4.435 4.480 -0.001 0.000 0.235 1838 M C 1.683 177.968 176.300 -0.025 0.000 1.057 1838 M CA 0.872 56.162 55.300 -0.016 0.000 1.066 1838 M CB -0.002 32.607 32.600 0.015 0.000 1.558 1838 M HN 0.132 nan 8.290 nan 0.000 0.551 1839 Q N -0.896 118.886 119.800 -0.030 0.000 2.459 1839 Q HA 0.051 4.390 4.340 -0.001 0.000 0.260 1839 Q C 1.244 177.210 176.000 -0.055 0.000 0.828 1839 Q CA 0.874 56.658 55.803 -0.033 0.000 0.987 1839 Q CB 0.264 29.005 28.738 0.004 0.000 1.216 1839 Q HN 0.392 nan 8.270 nan 0.000 0.558 1840 V N -0.797 119.088 119.914 -0.049 0.000 3.577 1840 V HA 0.548 4.667 4.120 -0.001 0.000 0.294 1840 V C 1.254 177.294 176.094 -0.090 0.000 1.317 1840 V CA 0.886 63.148 62.300 -0.064 0.000 1.169 1840 V CB -0.275 31.524 31.823 -0.040 0.000 1.011 1840 V HN 0.293 nan 8.190 nan 0.000 0.426 1841 A N 0.173 122.930 122.820 -0.105 0.000 2.072 1841 A HA 0.324 4.643 4.320 -0.001 0.000 0.216 1841 A C 1.323 178.811 177.584 -0.160 0.000 1.156 1841 A CA 1.181 53.149 52.037 -0.116 0.000 0.701 1841 A CB 0.051 18.987 19.000 -0.107 0.000 0.816 1841 A HN 0.646 nan 8.150 nan 0.000 0.458 1842 V N 2.768 122.551 119.914 -0.219 0.000 2.435 1842 V HA 0.183 4.302 4.120 -0.001 0.000 0.263 1842 V C -2.523 173.430 176.094 -0.235 0.000 1.087 1842 V CA -1.510 60.600 62.300 -0.317 0.000 1.253 1842 V CB 0.381 31.819 31.823 -0.643 0.000 1.462 1842 V HN 0.337 nan 8.190 nan 0.000 0.547 1843 P HA 0.214 nan 4.420 nan 0.000 0.261 1843 P C -0.365 176.859 177.300 -0.127 0.000 1.203 1843 P CA 0.240 63.258 63.100 -0.137 0.000 0.767 1843 P CB 1.064 32.689 31.700 -0.125 0.000 0.785 1844 R N 2.664 123.087 120.500 -0.128 0.000 2.643 1844 R HA 0.268 4.607 4.340 -0.001 0.000 0.269 1844 R C -1.146 175.064 176.300 -0.150 0.000 1.037 1844 R CA -0.458 55.563 56.100 -0.132 0.000 0.894 1844 R CB 0.746 30.969 30.300 -0.128 0.000 1.238 1844 R HN 0.534 nan 8.270 nan 0.000 0.459 1845 D N 2.798 123.084 120.400 -0.190 0.000 3.478 1845 D HA -0.156 4.484 4.640 -0.001 0.000 0.219 1845 D C -0.718 175.539 176.300 -0.071 0.000 1.143 1845 D CA 0.928 54.828 54.000 -0.166 0.000 1.047 1845 D CB 0.411 41.042 40.800 -0.282 0.000 0.820 1845 D HN 0.781 nan 8.370 nan 0.000 0.393 1846 E N 1.955 122.131 120.200 -0.040 0.000 2.381 1846 E HA -0.077 4.273 4.350 -0.001 0.000 0.198 1846 E C 1.202 177.815 176.600 0.022 0.000 1.204 1846 E CA -0.101 56.286 56.400 -0.022 0.000 0.998 1846 E CB 0.422 30.104 29.700 -0.030 0.000 1.080 1846 E HN 0.438 nan 8.360 nan 0.000 0.481 1847 L N -1.136 120.103 121.223 0.026 0.000 2.670 1847 L HA 0.360 4.700 4.340 -0.001 0.000 0.177 1847 L C 0.785 177.687 176.870 0.053 0.000 1.181 1847 L CA 1.031 55.902 54.840 0.052 0.000 0.856 1847 L CB 0.986 43.083 42.059 0.064 0.000 1.205 1847 L HN 0.035 nan 8.230 nan 0.000 0.506 1848 G N 0.182 109.002 108.800 0.033 0.000 3.716 1848 G HA2 0.454 4.414 3.960 -0.001 0.000 0.243 1848 G HA3 0.454 4.414 3.960 -0.001 0.000 0.243 1848 G C -0.896 174.015 174.900 0.018 0.000 3.921 1848 G CA -0.063 45.058 45.100 0.036 0.000 0.492 1848 G HN 0.439 nan 8.290 nan 0.000 0.256 1849 R N -1.889 118.600 120.500 -0.019 0.000 3.309 1849 R HA 0.763 5.103 4.340 -0.001 0.000 0.270 1849 R C -1.483 174.762 176.300 -0.092 0.000 0.901 1849 R CA -0.512 55.567 56.100 -0.034 0.000 0.793 1849 R CB 0.211 30.501 30.300 -0.017 0.000 1.578 1849 R HN 1.033 nan 8.270 nan 0.000 0.475 1850 S N -1.406 114.242 115.700 -0.087 0.000 2.614 1850 S HA 0.265 4.734 4.470 -0.001 0.000 0.280 1850 S C -1.524 173.098 174.600 0.036 0.000 1.111 1850 S CA -0.699 57.463 58.200 -0.064 0.000 0.847 1850 S CB 1.485 64.683 63.200 -0.003 0.000 1.079 1850 S HN 0.631 nan 8.310 nan 0.000 0.452 1851 N N 1.649 120.399 118.700 0.084 0.000 2.530 1851 N HA 0.262 5.002 4.740 -0.001 0.000 0.216 1851 N C -1.148 174.292 175.510 -0.116 0.000 1.315 1851 N CA 0.592 53.647 53.050 0.008 0.000 0.858 1851 N CB -0.289 38.169 38.487 -0.048 0.000 1.138 1851 N HN 0.380 nan 8.380 nan 0.000 0.473 1852 Y N -1.542 118.720 120.300 -0.064 0.000 2.634 1852 Y HA 0.830 5.379 4.550 -0.001 0.000 0.340 1852 Y C 1.010 176.889 175.900 -0.036 0.000 1.058 1852 Y CA -0.861 57.203 58.100 -0.060 0.000 1.081 1852 Y CB 1.730 40.150 38.460 -0.067 0.000 1.295 1852 Y HN -0.025 nan 8.280 nan 0.000 0.487 1853 G N 0.205 109.089 108.800 0.139 0.000 2.553 1853 G HA2 0.464 4.424 3.960 -0.001 0.000 0.106 1853 G HA3 0.464 4.424 3.960 -0.001 0.000 0.106 1853 G C -1.288 173.635 174.900 0.038 0.000 1.126 1853 G CA -0.242 44.903 45.100 0.075 0.000 1.075 1853 G HN 0.971 nan 8.290 nan 0.000 0.472 1854 M N -0.960 118.654 119.600 0.023 0.000 3.142 1854 M HA 0.599 5.078 4.480 -0.001 0.000 0.246 1854 M C -1.415 174.900 176.300 0.025 0.000 0.834 1854 M CA -0.899 54.405 55.300 0.006 0.000 0.808 1854 M CB 0.956 33.546 32.600 -0.016 0.000 1.572 1854 M HN 1.692 nan 8.290 nan 0.000 0.580 1855 I N -0.896 119.690 120.570 0.026 0.000 3.466 1855 I HA 1.099 5.268 4.170 -0.001 0.000 0.311 1855 I C -1.435 174.721 176.117 0.066 0.000 1.155 1855 I CA -0.795 60.534 61.300 0.047 0.000 0.959 1855 I CB 2.180 40.207 38.000 0.045 0.000 1.332 1855 I HN 1.111 nan 8.210 nan 0.000 0.483 1856 A N 1.618 124.487 122.820 0.082 0.000 2.515 1856 A HA 0.945 5.265 4.320 -0.001 0.000 0.296 1856 A C -1.040 176.614 177.584 0.118 0.000 1.094 1856 A CA -0.678 51.426 52.037 0.112 0.000 0.718 1856 A CB 1.612 20.677 19.000 0.109 0.000 1.307 1856 A HN 0.736 nan 8.150 nan 0.000 0.408 1857 I N 0.137 120.805 120.570 0.163 0.000 3.004 1857 I HA 0.391 4.561 4.170 -0.001 0.000 0.305 1857 I C -1.501 174.745 176.117 0.216 0.000 1.312 1857 I CA -1.044 60.353 61.300 0.161 0.000 0.992 1857 I CB 2.830 40.917 38.000 0.144 0.000 1.282 1857 I HN 0.814 nan 8.210 nan 0.000 0.449 1858 N N 2.053 120.850 118.700 0.163 0.000 2.295 1858 N HA 0.620 5.359 4.740 -0.001 0.000 0.293 1858 N C -3.012 172.567 175.510 0.116 0.000 1.040 1858 N CA -1.733 51.410 53.050 0.155 0.000 0.840 1858 N CB 1.163 39.704 38.487 0.090 0.000 1.468 1858 N HN 0.188 nan 8.380 nan 0.000 0.478 1859 P HA 0.149 nan 4.420 nan 0.000 0.266 1859 P C 0.125 177.407 177.300 -0.030 0.000 1.186 1859 P CA 0.003 63.091 63.100 -0.020 0.000 0.767 1859 P CB 0.453 32.068 31.700 -0.142 0.000 0.820 1860 G N 2.724 111.502 108.800 -0.037 0.000 4.465 1860 G HA2 0.405 4.365 3.960 -0.001 0.000 0.330 1860 G HA3 0.405 4.365 3.960 -0.001 0.000 0.330 1860 G C -0.771 174.114 174.900 -0.024 0.000 1.475 1860 G CA -0.358 44.739 45.100 -0.005 0.000 0.955 1860 G HN 0.411 nan 8.290 nan 0.000 0.516 1861 R N -0.093 120.353 120.500 -0.091 0.000 2.116 1861 R HA -0.118 4.221 4.340 -0.001 0.000 0.361 1861 R C -0.198 175.993 176.300 -0.181 0.000 1.022 1861 R CA 0.184 56.236 56.100 -0.080 0.000 0.574 1861 R CB -2.234 28.068 30.300 0.003 0.000 1.952 1861 R HN 1.264 nan 8.270 nan 0.000 0.449 1862 V N -1.197 118.575 119.914 -0.237 0.000 3.532 1862 V HA -0.098 4.021 4.120 -0.001 0.000 0.505 1862 V C 0.641 176.248 176.094 -0.812 0.000 0.682 1862 V CA 1.522 63.638 62.300 -0.306 0.000 2.056 1862 V CB -0.758 31.002 31.823 -0.105 0.000 2.484 1862 V HN 1.236 nan 8.190 nan 0.000 0.509 1863 A N 3.140 125.565 122.820 -0.658 0.000 5.274 1863 A HA 1.167 5.486 4.320 -0.001 0.000 0.127 1863 A C 0.319 177.793 177.584 -0.183 0.000 1.033 1863 A CA 0.621 52.119 52.037 -0.898 0.000 1.722 1863 A CB 0.253 18.684 19.000 -0.949 0.000 2.569 1863 A HN 3.027 nan 8.150 nan 0.000 1.155 1864 A N -1.678 121.104 122.820 -0.063 0.000 2.406 1864 A HA 0.449 4.768 4.320 -0.001 0.000 0.675 1864 A C 1.213 178.821 177.584 0.039 0.000 0.167 1864 A CA 1.587 53.630 52.037 0.011 0.000 0.098 1864 A CB -1.927 17.069 19.000 -0.008 0.000 3.910 1864 A HN 2.792 nan 8.150 nan 0.000 0.539 1865 S N 0.970 116.664 115.700 -0.009 0.000 2.884 1865 S HA -0.332 4.138 4.470 -0.001 0.000 0.274 1865 S C 1.208 175.824 174.600 0.027 0.000 1.308 1865 S CA 2.262 60.452 58.200 -0.017 0.000 1.340 1865 S CB -1.818 61.383 63.200 0.001 0.000 1.657 1865 S HN 2.215 nan 8.310 nan 0.000 0.699 1866 F N 2.745 122.622 119.950 -0.123 0.000 2.079 1866 F HA -0.258 4.269 4.527 -0.001 0.000 0.296 1866 F C 2.237 177.989 175.800 -0.080 0.000 1.084 1866 F CA 2.787 60.737 58.000 -0.084 0.000 1.236 1866 F CB -0.750 38.204 39.000 -0.078 0.000 0.984 1866 F HN 0.644 nan 8.300 nan 0.000 0.488 1867 S N -1.753 113.917 115.700 -0.049 0.000 2.603 1867 S HA 0.083 4.552 4.470 -0.001 0.000 0.232 1867 S C 1.528 176.071 174.600 -0.095 0.000 1.016 1867 S CA 0.215 58.333 58.200 -0.137 0.000 0.976 1867 S CB -0.148 62.993 63.200 -0.099 0.000 0.921 1867 S HN 0.548 nan 8.310 nan 0.000 0.516 1868 Q N 1.414 121.164 119.800 -0.083 0.000 2.268 1868 Q HA -0.171 4.168 4.340 -0.001 0.000 0.210 1868 Q C 1.663 177.655 176.000 -0.014 0.000 0.988 1868 Q CA 2.160 57.934 55.803 -0.049 0.000 0.883 1868 Q CB -0.075 28.646 28.738 -0.029 0.000 0.911 1868 Q HN 0.785 nan 8.270 nan 0.000 0.430 1869 E N -1.994 118.185 120.200 -0.034 0.000 2.421 1869 E HA 0.163 4.513 4.350 -0.001 0.000 0.209 1869 E C 1.608 178.188 176.600 -0.034 0.000 0.871 1869 E CA 0.398 56.805 56.400 0.011 0.000 1.064 1869 E CB 0.229 29.908 29.700 -0.035 0.000 1.075 1869 E HN 0.370 nan 8.360 nan 0.000 0.513 1870 A N 1.437 124.171 122.820 -0.144 0.000 2.131 1870 A HA -0.155 4.165 4.320 -0.001 0.000 0.220 1870 A C 2.022 179.582 177.584 -0.040 0.000 1.158 1870 A CA 1.037 52.978 52.037 -0.160 0.000 0.665 1870 A CB -0.363 18.480 19.000 -0.263 0.000 0.795 1870 A HN 0.303 nan 8.150 nan 0.000 0.460 1871 L N -1.895 119.319 121.223 -0.014 0.000 2.265 1871 L HA 0.074 4.413 4.340 -0.001 0.000 0.195 1871 L C 2.286 179.191 176.870 0.058 0.000 1.083 1871 L CA 1.211 56.058 54.840 0.011 0.000 0.798 1871 L CB -0.406 41.647 42.059 -0.011 0.000 0.989 1871 L HN 0.386 nan 8.230 nan 0.000 0.472 1872 Q N -0.973 118.873 119.800 0.077 0.000 2.576 1872 Q HA -0.211 4.128 4.340 -0.001 0.000 0.218 1872 Q C 0.532 176.642 176.000 0.183 0.000 0.983 1872 Q CA 1.164 57.031 55.803 0.106 0.000 0.920 1872 Q CB 0.027 28.831 28.738 0.110 0.000 0.973 1872 Q HN 0.627 nan 8.270 nan 0.000 0.528 1873 Y N -2.318 117.965 120.300 -0.028 0.000 2.531 1873 Y HA 0.124 4.673 4.550 -0.001 0.000 0.249 1873 Y C 1.031 176.919 175.900 -0.020 0.000 1.168 1873 Y CA -0.195 57.890 58.100 -0.025 0.000 1.226 1873 Y CB 1.193 39.633 38.460 -0.034 0.000 1.177 1873 Y HN -0.016 nan 8.280 nan 0.000 0.527 1874 V N -2.544 117.424 119.914 0.089 0.000 3.379 1874 V HA -0.041 4.078 4.120 -0.001 0.000 0.249 1874 V C 1.764 177.873 176.094 0.025 0.000 1.184 1874 V CA 0.762 63.093 62.300 0.052 0.000 1.106 1874 V CB -0.027 31.824 31.823 0.047 0.000 0.826 1874 V HN 0.027 nan 8.190 nan 0.000 0.465 1875 V N 0.851 120.772 119.914 0.010 0.000 2.913 1875 V HA -0.201 3.919 4.120 -0.001 0.000 0.260 1875 V C 2.290 178.371 176.094 -0.022 0.000 1.098 1875 V CA 2.023 64.318 62.300 -0.007 0.000 1.121 1875 V CB -0.719 31.097 31.823 -0.011 0.000 0.714 1875 V HN 0.707 nan 8.190 nan 0.000 0.487 1876 E N 0.343 120.513 120.200 -0.050 0.000 2.418 1876 E HA -0.174 4.176 4.350 -0.001 0.000 0.197 1876 E C 2.011 178.581 176.600 -0.051 0.000 1.026 1876 E CA 0.640 56.988 56.400 -0.086 0.000 0.862 1876 E CB 0.205 29.793 29.700 -0.185 0.000 0.799 1876 E HN 0.410 nan 8.360 nan 0.000 0.518 1877 R N -1.169 119.322 120.500 -0.015 0.000 2.539 1877 R HA 0.103 4.442 4.340 -0.001 0.000 0.342 1877 R C 0.705 177.037 176.300 0.054 0.000 0.941 1877 R CA 0.765 56.868 56.100 0.006 0.000 1.146 1877 R CB 1.081 31.381 30.300 -0.001 0.000 1.541 1877 R HN 0.164 nan 8.270 nan 0.000 0.525 1878 V N -6.061 113.901 119.914 0.081 0.000 5.003 1878 V HA 0.711 4.831 4.120 -0.001 0.000 0.132 1878 V C 0.297 176.434 176.094 0.072 0.000 1.227 1878 V CA 0.276 62.684 62.300 0.180 0.000 1.094 1878 V CB 0.552 32.605 31.823 0.383 0.000 1.358 1878 V HN 0.054 nan 8.190 nan 0.000 0.637 1879 G N 1.355 110.148 108.800 -0.012 0.000 2.163 1879 G HA2 0.552 4.511 3.960 -0.001 0.000 0.191 1879 G HA3 0.552 4.511 3.960 -0.001 0.000 0.191 1879 G C -1.110 173.714 174.900 -0.126 0.000 1.517 1879 G CA -0.035 45.020 45.100 -0.074 0.000 1.024 1879 G HN 1.392 nan 8.290 nan 0.000 0.664 1880 K N 0.674 121.025 120.400 -0.082 0.000 2.801 1880 K HA 0.656 4.975 4.320 -0.001 0.000 0.287 1880 K C -1.277 175.292 176.600 -0.052 0.000 1.084 1880 K CA -1.293 54.943 56.287 -0.085 0.000 0.901 1880 K CB 1.004 33.442 32.500 -0.104 0.000 1.405 1880 K HN 0.513 nan 8.250 nan 0.000 0.378 1881 R N 0.461 120.928 120.500 -0.055 0.000 2.930 1881 R HA 0.538 4.878 4.340 -0.001 0.000 0.257 1881 R C -0.714 175.558 176.300 -0.048 0.000 1.107 1881 R CA -0.647 55.428 56.100 -0.042 0.000 0.999 1881 R CB 1.744 32.019 30.300 -0.042 0.000 1.209 1881 R HN 0.914 nan 8.270 nan 0.000 0.486 1882 T N -1.324 113.213 114.554 -0.027 0.000 2.749 1882 T HA 0.336 4.685 4.350 -0.001 0.000 0.295 1882 T C 1.200 175.869 174.700 -0.050 0.000 0.936 1882 T CA -0.337 61.757 62.100 -0.010 0.000 1.060 1882 T CB 1.295 70.185 68.868 0.037 0.000 0.904 1882 T HN 0.579 nan 8.240 nan 0.000 0.500 1883 G N 2.681 111.410 108.800 -0.118 0.000 2.529 1883 G HA2 0.146 4.106 3.960 -0.001 0.000 0.167 1883 G HA3 0.146 4.106 3.960 -0.001 0.000 0.167 1883 G C -0.261 174.525 174.900 -0.191 0.000 1.615 1883 G CA -0.459 44.427 45.100 -0.356 0.000 0.885 1883 G HN 0.831 nan 8.290 nan 0.000 0.394 1884 W N -1.020 120.338 121.300 0.096 0.000 2.509 1884 W HA 0.663 5.323 4.660 -0.001 0.000 0.351 1884 W C -0.205 176.401 176.519 0.145 0.000 1.107 1884 W CA -0.997 56.410 57.345 0.103 0.000 1.264 1884 W CB 1.293 30.825 29.460 0.121 0.000 1.312 1884 W HN -0.040 nan 8.180 nan 0.000 0.608 1885 L N 3.328 124.780 121.223 0.382 0.000 2.637 1885 L HA 0.110 4.450 4.340 -0.001 0.000 0.241 1885 L C 1.194 178.087 176.870 0.038 0.000 1.398 1885 L CA -0.451 54.560 54.840 0.285 0.000 0.895 1885 L CB 0.193 42.510 42.059 0.431 0.000 1.183 1885 L HN 0.582 nan 8.230 nan 0.000 0.497 1886 V N -2.062 117.849 119.914 -0.005 0.000 2.324 1886 V HA -0.098 4.021 4.120 -0.001 0.000 0.250 1886 V C 0.629 176.607 176.094 -0.192 0.000 1.060 1886 V CA 1.677 63.937 62.300 -0.067 0.000 1.042 1886 V CB -0.319 31.479 31.823 -0.043 0.000 0.650 1886 V HN 0.698 nan 8.190 nan 0.000 0.450 1887 E N -2.299 117.634 120.200 -0.444 0.000 2.388 1887 E HA 0.331 4.681 4.350 -0.001 0.000 0.281 1887 E C 0.037 176.242 176.600 -0.660 0.000 1.046 1887 E CA -0.049 56.107 56.400 -0.407 0.000 0.825 1887 E CB 0.898 30.482 29.700 -0.194 0.000 1.243 1887 E HN 0.136 nan 8.360 nan 0.000 0.438 1888 I N 1.738 122.189 120.570 -0.198 0.000 2.227 1888 I HA -0.223 3.946 4.170 -0.001 0.000 0.250 1888 I C 0.485 176.745 176.117 0.239 0.000 1.087 1888 I CA 1.613 63.015 61.300 0.170 0.000 1.352 1888 I CB 0.266 38.337 38.000 0.120 0.000 1.043 1888 I HN 0.338 nan 8.210 nan 0.000 0.425 1889 V N 1.995 121.927 119.914 0.029 0.000 2.993 1889 V HA 0.293 4.412 4.120 -0.001 0.000 0.377 1889 V C -0.259 175.845 176.094 0.017 0.000 1.318 1889 V CA -0.197 62.137 62.300 0.057 0.000 1.312 1889 V CB -0.882 30.950 31.823 0.016 0.000 1.342 1889 V HN 0.544 nan 8.190 nan 0.000 0.544 1890 N N 1.037 119.702 118.700 -0.059 0.000 4.296 1890 N HA 0.130 4.869 4.740 -0.001 0.000 0.183 1890 N C -2.121 173.224 175.510 -0.276 0.000 1.159 1890 N CA -0.202 52.801 53.050 -0.078 0.000 0.980 1890 N CB 1.090 39.519 38.487 -0.097 0.000 1.621 1890 N HN 0.188 nan 8.380 nan 0.000 0.861 1891 Y N 0.996 121.344 120.300 0.080 0.000 2.442 1891 Y HA 0.432 4.982 4.550 -0.001 0.000 0.344 1891 Y C 0.415 176.372 175.900 0.095 0.000 0.976 1891 Y CA -0.857 57.300 58.100 0.096 0.000 1.040 1891 Y CB 1.508 40.020 38.460 0.086 0.000 1.228 1891 Y HN 0.283 nan 8.280 nan 0.000 0.451 1892 N N 2.486 121.341 118.700 0.258 0.000 2.420 1892 N HA 0.190 4.929 4.740 -0.001 0.000 0.262 1892 N C -1.093 174.468 175.510 0.085 0.000 1.144 1892 N CA -0.045 53.106 53.050 0.169 0.000 0.952 1892 N CB 1.516 40.129 38.487 0.209 0.000 1.081 1892 N HN 0.267 nan 8.380 nan 0.000 0.480 1893 V N 3.370 123.313 119.914 0.050 0.000 2.333 1893 V HA 0.100 4.220 4.120 -0.001 0.000 0.274 1893 V C 0.887 176.948 176.094 -0.055 0.000 1.028 1893 V CA -0.765 61.539 62.300 0.006 0.000 0.851 1893 V CB 0.892 32.731 31.823 0.026 0.000 1.000 1893 V HN 0.485 nan 8.190 nan 0.000 0.456 1894 E N 3.375 123.511 120.200 -0.106 0.000 2.563 1894 E HA 0.173 4.523 4.350 -0.001 0.000 0.260 1894 E C -0.253 176.297 176.600 -0.083 0.000 1.391 1894 E CA 0.075 56.397 56.400 -0.131 0.000 1.079 1894 E CB 0.480 30.091 29.700 -0.148 0.000 0.984 1894 E HN 0.639 nan 8.360 nan 0.000 0.563 1895 N N -0.074 118.582 118.700 -0.074 0.000 2.636 1895 N HA 0.058 4.797 4.740 -0.001 0.000 0.261 1895 N C -1.882 173.491 175.510 -0.228 0.000 1.195 1895 N CA -0.370 52.613 53.050 -0.110 0.000 0.902 1895 N CB 1.790 40.234 38.487 -0.072 0.000 1.627 1895 N HN 0.212 nan 8.380 nan 0.000 0.491 1896 Q N 2.648 122.236 119.800 -0.355 0.000 3.429 1896 Q HA 0.239 4.578 4.340 -0.001 0.000 0.237 1896 Q C 0.464 176.123 176.000 -0.569 0.000 0.932 1896 Q CA -0.208 55.219 55.803 -0.626 0.000 0.731 1896 Q CB 0.592 28.979 28.738 -0.585 0.000 1.383 1896 Q HN 0.657 nan 8.270 nan 0.000 0.446 1897 Q N 1.574 121.127 119.800 -0.412 0.000 2.778 1897 Q HA -0.378 3.961 4.340 -0.001 0.000 0.431 1897 Q C 0.585 176.524 176.000 -0.102 0.000 0.625 1897 Q CA 3.339 59.028 55.803 -0.191 0.000 1.030 1897 Q CB -1.564 27.113 28.738 -0.103 0.000 1.361 1897 Q HN 0.883 nan 8.270 nan 0.000 1.036 1898 Y N -0.858 119.412 120.300 -0.051 0.000 2.736 1898 Y HA 0.167 4.717 4.550 -0.001 0.000 0.298 1898 Y C 1.786 177.666 175.900 -0.032 0.000 1.156 1898 Y CA 0.756 58.840 58.100 -0.026 0.000 1.384 1898 Y CB -0.682 37.765 38.460 -0.023 0.000 0.976 1898 Y HN 0.117 nan 8.280 nan 0.000 0.556 1899 V N 0.150 119.987 119.914 -0.128 0.000 2.535 1899 V HA -0.110 4.009 4.120 -0.001 0.000 0.246 1899 V C 2.504 178.587 176.094 -0.018 0.000 1.045 1899 V CA 1.234 63.479 62.300 -0.092 0.000 1.058 1899 V CB -0.643 31.060 31.823 -0.199 0.000 0.689 1899 V HN 0.645 nan 8.190 nan 0.000 0.461 1900 A N 0.181 122.991 122.820 -0.017 0.000 1.858 1900 A HA 0.086 4.405 4.320 -0.001 0.000 0.215 1900 A C 2.358 179.966 177.584 0.039 0.000 1.320 1900 A CA 1.380 53.423 52.037 0.011 0.000 0.601 1900 A CB -1.269 17.737 19.000 0.011 0.000 0.976 1900 A HN 0.533 nan 8.150 nan 0.000 0.470 1901 A N -0.875 121.977 122.820 0.054 0.000 2.139 1901 A HA 0.081 4.400 4.320 -0.001 0.000 0.221 1901 A C 2.103 179.727 177.584 0.067 0.000 1.159 1901 A CA 2.071 54.145 52.037 0.062 0.000 0.662 1901 A CB -1.097 17.949 19.000 0.077 0.000 0.796 1901 A HN 0.823 nan 8.150 nan 0.000 0.463 1902 G N -0.741 108.110 108.800 0.085 0.000 2.441 1902 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.212 1902 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.212 1902 G C 1.372 176.310 174.900 0.064 0.000 1.164 1902 G CA 1.066 46.223 45.100 0.094 0.000 0.811 1902 G HN 0.586 nan 8.290 nan 0.000 0.535 1903 D N 0.810 121.240 120.400 0.051 0.000 2.144 1903 D HA -0.043 4.596 4.640 -0.001 0.000 0.207 1903 D C 2.603 178.919 176.300 0.027 0.000 0.970 1903 D CA 0.260 54.279 54.000 0.032 0.000 0.853 1903 D CB -0.285 40.527 40.800 0.020 0.000 1.007 1903 D HN 0.221 nan 8.370 nan 0.000 0.469 1904 L N 0.554 121.796 121.223 0.031 0.000 2.125 1904 L HA -0.332 4.007 4.340 -0.001 0.000 0.234 1904 L C 2.858 179.746 176.870 0.030 0.000 1.110 1904 L CA 2.177 57.036 54.840 0.033 0.000 0.832 1904 L CB -0.776 41.305 42.059 0.036 0.000 0.922 1904 L HN 0.142 nan 8.230 nan 0.000 0.449 1905 R N -0.176 120.341 120.500 0.028 0.000 2.103 1905 R HA -0.183 4.157 4.340 -0.001 0.000 0.242 1905 R C 2.170 178.480 176.300 0.018 0.000 1.142 1905 R CA 1.627 57.741 56.100 0.023 0.000 0.960 1905 R CB -1.571 28.741 30.300 0.021 0.000 0.858 1905 R HN 0.531 nan 8.270 nan 0.000 0.439 1906 A N 2.544 125.372 122.820 0.012 0.000 1.852 1906 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 1906 A C 2.481 180.063 177.584 -0.004 0.000 1.215 1906 A CA 2.325 54.361 52.037 -0.002 0.000 0.641 1906 A CB -1.007 17.987 19.000 -0.009 0.000 0.838 1906 A HN 0.342 nan 8.150 nan 0.000 0.450 1907 L N -1.653 119.572 121.223 0.004 0.000 2.079 1907 L HA -0.165 4.175 4.340 -0.001 0.000 0.210 1907 L C 2.171 179.072 176.870 0.051 0.000 1.081 1907 L CA 1.993 56.849 54.840 0.028 0.000 0.752 1907 L CB -1.007 41.083 42.059 0.052 0.000 0.896 1907 L HN 0.362 nan 8.230 nan 0.000 0.433 1908 D N 0.115 120.539 120.400 0.041 0.000 2.309 1908 D HA -0.127 4.513 4.640 -0.001 0.000 0.212 1908 D C 1.773 178.095 176.300 0.036 0.000 0.968 1908 D CA 1.487 55.512 54.000 0.041 0.000 0.882 1908 D CB 0.299 41.120 40.800 0.035 0.000 0.918 1908 D HN 0.432 nan 8.370 nan 0.000 0.503 1909 T N -0.712 113.859 114.554 0.027 0.000 3.021 1909 T HA -0.000 4.349 4.350 -0.001 0.000 0.245 1909 T C 2.195 176.912 174.700 0.028 0.000 1.028 1909 T CA 0.227 62.340 62.100 0.022 0.000 1.139 1909 T CB 0.119 68.993 68.868 0.010 0.000 0.884 1909 T HN -0.056 nan 8.240 nan 0.000 0.457 1910 V N 1.930 121.861 119.914 0.030 0.000 2.370 1910 V HA -0.222 3.897 4.120 -0.001 0.000 0.252 1910 V C 2.694 178.837 176.094 0.082 0.000 1.068 1910 V CA 2.105 64.434 62.300 0.047 0.000 1.061 1910 V CB -1.160 30.692 31.823 0.049 0.000 0.656 1910 V HN 0.506 nan 8.190 nan 0.000 0.455 1911 T N 0.122 114.727 114.554 0.085 0.000 3.139 1911 T HA -0.091 4.258 4.350 -0.001 0.000 0.267 1911 T C 1.083 175.816 174.700 0.055 0.000 1.164 1911 T CA 0.581 62.729 62.100 0.081 0.000 1.075 1911 T CB -0.749 68.163 68.868 0.073 0.000 0.904 1911 T HN 0.503 nan 8.240 nan 0.000 0.540 1912 N N 2.435 121.162 118.700 0.045 0.000 2.683 1912 N HA 0.100 4.839 4.740 -0.001 0.000 0.256 1912 N C 0.332 175.861 175.510 0.033 0.000 1.270 1912 N CA 0.385 53.455 53.050 0.032 0.000 0.954 1912 N CB -0.257 38.244 38.487 0.024 0.000 1.289 1912 N HN 0.472 nan 8.380 nan 0.000 0.508 1913 V N -2.611 117.327 119.914 0.041 0.000 6.104 1913 V HA -0.249 3.870 4.120 -0.001 0.000 0.260 1913 V C -0.815 175.305 176.094 0.043 0.000 0.610 1913 V CA 0.272 62.597 62.300 0.041 0.000 0.645 1913 V CB -2.270 29.571 31.823 0.030 0.000 0.494 1913 V HN 0.151 nan 8.190 nan 0.000 0.545 1914 L N 3.159 124.417 121.223 0.059 0.000 2.529 1914 L HA 0.680 5.019 4.340 -0.001 0.000 0.260 1914 L C 0.517 177.443 176.870 0.093 0.000 0.997 1914 L CA -0.089 54.783 54.840 0.055 0.000 0.885 1914 L CB 1.378 43.456 42.059 0.032 0.000 1.185 1914 L HN 0.657 nan 8.230 nan 0.000 0.442 1915 N N 2.712 121.471 118.700 0.097 0.000 2.168 1915 N HA 0.117 4.857 4.740 -0.001 0.000 0.241 1915 N C -0.843 174.800 175.510 0.223 0.000 1.239 1915 N CA 0.859 54.001 53.050 0.154 0.000 0.906 1915 N CB -0.002 38.557 38.487 0.121 0.000 0.948 1915 N HN 0.392 nan 8.380 nan 0.000 0.399 1916 F N 0.027 120.016 119.950 0.065 0.000 2.671 1916 F HA 0.505 5.031 4.527 -0.001 0.000 0.332 1916 F C -1.033 174.786 175.800 0.032 0.000 1.189 1916 F CA -0.554 57.480 58.000 0.058 0.000 0.988 1916 F CB 0.500 39.554 39.000 0.089 0.000 1.258 1916 F HN 0.162 nan 8.300 nan 0.000 0.471 1917 I N 2.182 122.718 120.570 -0.057 0.000 4.117 1917 I HA 0.269 4.438 4.170 -0.001 0.000 0.258 1917 I C 0.336 176.377 176.117 -0.127 0.000 1.024 1917 I CA -0.781 60.528 61.300 0.014 0.000 1.482 1917 I CB -0.237 37.778 38.000 0.024 0.000 1.147 1917 I HN 0.286 nan 8.210 nan 0.000 0.382 1918 K N 0.777 121.137 120.400 -0.067 0.000 2.458 1918 K HA -0.206 4.114 4.320 -0.001 0.000 0.146 1918 K C -0.140 176.418 176.600 -0.071 0.000 1.423 1918 K CA 0.923 57.168 56.287 -0.069 0.000 0.757 1918 K CB -1.269 31.181 32.500 -0.084 0.000 0.547 1918 K HN 0.620 nan 8.250 nan 0.000 1.002 1919 L N 2.061 123.243 121.223 -0.067 0.000 2.278 1919 L HA 0.085 4.424 4.340 -0.001 0.000 0.287 1919 L C 0.687 177.514 176.870 -0.071 0.000 1.072 1919 L CA -0.126 54.683 54.840 -0.051 0.000 0.819 1919 L CB 0.483 42.522 42.059 -0.034 0.000 1.176 1919 L HN 0.330 nan 8.230 nan 0.000 0.435 1920 Q N 3.956 123.723 119.800 -0.054 0.000 2.272 1920 Q HA 0.362 4.701 4.340 -0.001 0.000 0.192 1920 Q C 0.089 176.076 176.000 -0.022 0.000 1.059 1920 Q CA -0.235 55.534 55.803 -0.055 0.000 1.084 1920 Q CB 0.945 29.671 28.738 -0.020 0.000 1.139 1920 Q HN 0.726 nan 8.270 nan 0.000 0.593 1921 K N -1.165 119.232 120.400 -0.005 0.000 10.370 1921 K HA -0.227 4.092 4.320 -0.001 0.000 0.516 1921 K C 0.172 176.790 176.600 0.030 0.000 0.421 1921 K CA 1.426 57.730 56.287 0.028 0.000 1.936 1921 K CB -1.459 31.055 32.500 0.024 0.000 0.739 1921 K HN 0.494 nan 8.250 nan 0.000 1.154 1922 I N 3.568 124.143 120.570 0.009 0.000 2.553 1922 I HA 0.015 4.185 4.170 -0.001 0.000 0.295 1922 I C -0.095 176.017 176.117 -0.008 0.000 1.128 1922 I CA 0.515 61.818 61.300 0.006 0.000 2.128 1922 I CB -0.792 37.206 38.000 -0.003 0.000 1.543 1922 I HN 0.262 nan 8.210 nan 0.000 0.970 1923 D N 3.058 123.460 120.400 0.003 0.000 3.236 1923 D HA 0.481 5.120 4.640 -0.001 0.000 0.325 1923 D C 0.464 176.774 176.300 0.016 0.000 1.352 1923 D CA -0.568 53.419 54.000 -0.022 0.000 0.979 1923 D CB 1.351 42.104 40.800 -0.078 0.000 1.410 1923 D HN -0.163 nan 8.370 nan 0.000 0.588 1924 I N -0.378 120.180 120.570 -0.020 0.000 7.332 1924 I HA -0.382 3.788 4.170 -0.001 0.000 0.126 1924 I C 1.446 177.609 176.117 0.076 0.000 1.526 1924 I CA 0.749 62.059 61.300 0.016 0.000 2.393 1924 I CB -1.103 36.911 38.000 0.024 0.000 3.049 1924 I HN 0.893 nan 8.210 nan 0.000 0.265 1925 I N -1.613 119.024 120.570 0.113 0.000 3.751 1925 I HA -0.364 3.806 4.170 -0.001 0.000 0.238 1925 I C 1.638 177.774 176.117 0.031 0.000 0.999 1925 I CA 1.541 62.886 61.300 0.075 0.000 1.408 1925 I CB -1.348 36.691 38.000 0.065 0.000 1.581 1925 I HN 0.628 nan 8.210 nan 0.000 0.352 1926 E N 1.403 121.614 120.200 0.019 0.000 2.016 1926 E HA 0.013 4.363 4.350 -0.001 0.000 0.200 1926 E C 1.830 178.429 176.600 -0.001 0.000 0.949 1926 E CA 0.753 57.154 56.400 0.002 0.000 0.879 1926 E CB -0.104 29.590 29.700 -0.010 0.000 0.846 1926 E HN 0.463 nan 8.360 nan 0.000 0.507 1927 L N 1.538 122.757 121.223 -0.006 0.000 2.549 1927 L HA -0.154 4.185 4.340 -0.001 0.000 0.229 1927 L C 2.532 179.403 176.870 0.002 0.000 1.158 1927 L CA 0.326 55.163 54.840 -0.004 0.000 0.842 1927 L CB -0.242 41.813 42.059 -0.008 0.000 0.952 1927 L HN 0.265 nan 8.230 nan 0.000 0.452 1928 Q N 0.457 120.261 119.800 0.007 0.000 1.856 1928 Q HA -0.192 4.148 4.340 -0.001 0.000 0.233 1928 Q C 1.819 177.828 176.000 0.014 0.000 0.995 1928 Q CA 1.287 57.101 55.803 0.018 0.000 0.877 1928 Q CB -0.224 28.535 28.738 0.035 0.000 0.937 1928 Q HN 0.289 nan 8.270 nan 0.000 0.423 1929 K N 0.900 121.306 120.400 0.010 0.000 2.589 1929 K HA -0.050 4.270 4.320 -0.001 0.000 0.195 1929 K C 1.847 178.442 176.600 -0.008 0.000 1.040 1929 K CA 0.397 56.683 56.287 -0.002 0.000 0.950 1929 K CB -0.325 32.172 32.500 -0.006 0.000 0.781 1929 K HN 0.139 nan 8.250 nan 0.000 0.486 1930 S N 0.864 116.561 115.700 -0.004 0.000 2.317 1930 S HA 0.028 4.498 4.470 -0.001 0.000 0.212 1930 S C 1.648 176.244 174.600 -0.006 0.000 1.030 1930 S CA 0.421 58.617 58.200 -0.006 0.000 0.970 1930 S CB 0.065 63.263 63.200 -0.004 0.000 0.928 1930 S HN 0.286 nan 8.310 nan 0.000 0.451 1931 L N 1.310 122.533 121.223 -0.000 0.000 2.607 1931 L HA 0.251 4.590 4.340 -0.001 0.000 0.228 1931 L C 2.455 179.329 176.870 0.007 0.000 1.123 1931 L CA 0.411 55.253 54.840 0.003 0.000 0.890 1931 L CB -0.262 41.802 42.059 0.009 0.000 1.103 1931 L HN 0.384 nan 8.230 nan 0.000 0.468 1932 S N 1.021 116.725 115.700 0.007 0.000 2.335 1932 S HA -0.017 4.453 4.470 -0.001 0.000 0.217 1932 S C 1.642 176.226 174.600 -0.027 0.000 1.032 1932 S CA 0.819 59.028 58.200 0.015 0.000 0.985 1932 S CB -0.064 63.153 63.200 0.028 0.000 0.896 1932 S HN 0.403 nan 8.310 nan 0.000 0.445 1933 L N 1.382 122.577 121.223 -0.048 0.000 2.660 1933 L HA 0.243 4.583 4.340 -0.001 0.000 0.238 1933 L C 2.160 178.990 176.870 -0.066 0.000 1.161 1933 L CA 0.403 55.191 54.840 -0.087 0.000 0.937 1933 L CB -0.218 41.796 42.059 -0.075 0.000 1.122 1933 L HN 0.532 nan 8.230 nan 0.000 0.435 1934 E N -0.143 120.033 120.200 -0.040 0.000 2.244 1934 E HA -0.075 4.274 4.350 -0.001 0.000 0.196 1934 E C 1.439 178.029 176.600 -0.017 0.000 0.939 1934 E CA 0.220 56.605 56.400 -0.025 0.000 0.884 1934 E CB 0.563 30.257 29.700 -0.011 0.000 0.850 1934 E HN 0.316 nan 8.360 nan 0.000 0.481 1935 E N 0.538 120.735 120.200 -0.006 0.000 2.307 1935 E HA -0.036 4.313 4.350 -0.001 0.000 0.195 1935 E C 1.988 178.598 176.600 0.016 0.000 0.975 1935 E CA 0.358 56.770 56.400 0.019 0.000 0.878 1935 E CB 0.064 29.789 29.700 0.043 0.000 0.845 1935 E HN 0.152 nan 8.360 nan 0.000 0.488 1936 V N 1.416 121.310 119.914 -0.034 0.000 2.982 1936 V HA -0.194 3.925 4.120 -0.001 0.000 0.265 1936 V C 1.459 177.485 176.094 -0.113 0.000 1.122 1936 V CA 2.092 64.323 62.300 -0.116 0.000 1.143 1936 V CB -0.121 31.413 31.823 -0.482 0.000 0.726 1936 V HN 0.186 nan 8.190 nan 0.000 0.507 1937 E N -1.280 118.874 120.200 -0.076 0.000 2.630 1937 E HA 0.226 4.576 4.350 -0.001 0.000 0.218 1937 E C 1.754 178.345 176.600 -0.015 0.000 0.977 1937 E CA 0.504 56.866 56.400 -0.062 0.000 1.038 1937 E CB 0.298 29.954 29.700 -0.074 0.000 1.051 1937 E HN 0.582 nan 8.360 nan 0.000 0.487 1938 G N 0.183 108.993 108.800 0.017 0.000 2.956 1938 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.207 1938 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.207 1938 G C 0.311 175.284 174.900 0.123 0.000 1.162 1938 G CA 0.812 45.941 45.100 0.048 0.000 0.796 1938 G HN 0.313 nan 8.290 nan 0.000 0.527 1939 H N -2.440 116.607 119.070 -0.038 0.000 3.033 1939 H HA 0.182 4.738 4.556 -0.001 0.000 0.243 1939 H C 0.054 175.321 175.328 -0.101 0.000 1.543 1939 H CA -0.488 55.525 56.048 -0.059 0.000 1.216 1939 H CB -0.335 29.409 29.762 -0.030 0.000 1.858 1939 H HN -0.165 nan 8.280 nan 0.000 0.738 1940 L N -0.947 119.530 121.223 -1.242 0.000 2.738 1940 L HA 0.417 4.756 4.340 -0.001 0.000 0.175 1940 L C 0.182 176.637 176.870 -0.691 0.000 1.125 1940 L CA 0.291 54.509 54.840 -1.036 0.000 0.857 1940 L CB 0.548 41.803 42.059 -1.340 0.000 1.300 1940 L HN 0.307 nan 8.230 nan 0.000 0.499 2051 ? N 0.000 9999.130 9999.000 0.218 0.000 0.000 2051 ? HA 0.000 9999.000 9999.000 -0.001 0.000 0.000 2051 ? CA 0.000 9999.180 9999.000 0.301 0.000 0.000 2051 ? CB 0.000 9999.040 9999.000 0.074 0.000 0.000 2051 ? HN 0.000 nan 9999.000 nan 0.000 0.000