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_E 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 0.000 176.201 176.300 -0.165 0.000 1.140 1 M CA 0.000 55.069 55.300 -0.384 0.000 0.988 1 M CB 0.000 32.506 32.600 -0.156 0.000 1.302 2 D N 0.270 120.646 120.400 -0.040 0.000 2.484 2 D HA 0.473 5.112 4.640 -0.001 0.000 0.223 2 D C -0.812 175.543 176.300 0.091 0.000 1.350 2 D CA -0.309 53.707 54.000 0.026 0.000 0.940 2 D CB -0.732 40.093 40.800 0.041 0.000 1.525 2 D HN 0.742 nan 8.370 nan 0.000 0.504 3 A N 2.055 124.914 122.820 0.065 0.000 2.526 3 A HA 0.401 4.721 4.320 -0.001 0.000 0.267 3 A C 0.306 177.936 177.584 0.078 0.000 1.095 3 A CA -0.214 51.857 52.037 0.057 0.000 0.775 3 A CB -0.449 18.554 19.000 0.004 0.000 1.036 3 A HN 0.598 nan 8.150 nan 0.000 0.510 4 Y N 1.965 122.284 120.300 0.031 0.000 2.675 4 Y HA 0.542 5.092 4.550 -0.001 0.000 0.446 4 Y C 1.177 177.091 175.900 0.023 0.000 1.418 4 Y CA -0.481 57.636 58.100 0.028 0.000 1.932 4 Y CB -0.015 38.469 38.460 0.040 0.000 1.777 4 Y HN 0.963 nan 8.280 nan 0.000 0.650 5 S N -1.197 114.657 115.700 0.257 0.000 3.536 5 S HA -0.189 4.281 4.470 -0.001 0.000 0.281 5 S C 0.411 175.074 174.600 0.104 0.000 1.248 5 S CA 0.953 59.209 58.200 0.094 0.000 0.809 5 S CB -2.193 60.900 63.200 -0.179 0.000 0.997 5 S HN 1.484 nan 8.310 nan 0.000 0.641 6 T N -0.702 113.945 114.554 0.153 0.000 9.545 6 T HA -0.201 4.149 4.350 -0.001 0.000 0.344 6 T C -0.106 174.627 174.700 0.055 0.000 1.908 6 T CA 1.828 63.982 62.100 0.090 0.000 3.011 6 T CB -0.711 68.195 68.868 0.063 0.000 2.298 6 T HN 0.714 nan 8.240 nan 0.000 0.992 7 R N 2.129 122.653 120.500 0.040 0.000 2.310 7 R HA 0.521 4.861 4.340 -0.001 0.000 0.324 7 R C -2.869 173.444 176.300 0.022 0.000 0.955 7 R CA -2.551 53.557 56.100 0.014 0.000 0.830 7 R CB 0.621 30.913 30.300 -0.015 0.000 1.154 7 R HN 0.313 nan 8.270 nan 0.000 0.458 8 P HA 0.388 nan 4.420 nan 0.000 0.294 8 P C -0.785 176.521 177.300 0.011 0.000 1.294 8 P CA -0.615 62.502 63.100 0.028 0.000 0.827 8 P CB 1.837 33.556 31.700 0.032 0.000 0.992 9 L N 2.590 123.823 121.223 0.016 0.000 2.518 9 L HA 0.262 4.602 4.340 -0.001 0.000 0.262 9 L C -0.378 176.502 176.870 0.016 0.000 0.982 9 L CA -0.325 54.523 54.840 0.014 0.000 0.873 9 L CB 1.461 43.532 42.059 0.019 0.000 1.198 9 L HN 0.295 nan 8.230 nan 0.000 0.427 10 T N 5.237 119.797 114.554 0.011 0.000 2.933 10 T HA 0.146 4.496 4.350 -0.001 0.000 0.306 10 T C 0.311 175.007 174.700 -0.006 0.000 1.045 10 T CA 0.473 62.571 62.100 -0.003 0.000 1.143 10 T CB 0.126 68.997 68.868 0.005 0.000 1.003 10 T HN 0.425 nan 8.240 nan 0.000 0.540 11 L N 3.342 124.538 121.223 -0.045 0.000 2.556 11 L HA 0.250 4.589 4.340 -0.001 0.000 0.243 11 L C 0.763 177.584 176.870 -0.082 0.000 1.331 11 L CA -0.857 53.959 54.840 -0.040 0.000 0.927 11 L CB 0.456 42.496 42.059 -0.032 0.000 1.219 11 L HN 0.862 nan 8.230 nan 0.000 0.490 12 S N 0.109 115.783 115.700 -0.044 0.000 4.454 12 S HA -0.231 4.239 4.470 -0.001 0.000 0.400 12 S C 0.577 175.155 174.600 -0.036 0.000 0.563 12 S CA 0.026 58.210 58.200 -0.026 0.000 1.318 12 S CB -0.905 62.287 63.200 -0.013 0.000 1.958 12 S HN 0.488 nan 8.310 nan 0.000 0.349 13 H N 3.206 122.260 119.070 -0.026 0.000 3.238 13 H HA -0.041 4.515 4.556 -0.001 0.000 0.250 13 H C 1.788 177.053 175.328 -0.106 0.000 0.826 13 H CA 1.192 57.220 56.048 -0.034 0.000 1.409 13 H CB -0.281 29.469 29.762 -0.020 0.000 1.458 13 H HN 0.921 nan 8.280 nan 0.000 0.514 14 G N 2.961 111.726 108.800 -0.058 0.000 2.564 14 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.217 14 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.217 14 G C 0.403 175.067 174.900 -0.393 0.000 1.120 14 G CA 0.548 45.369 45.100 -0.465 0.000 0.752 14 G HN 0.647 nan 8.290 nan 0.000 0.558 15 S N -1.107 114.574 115.700 -0.030 0.000 3.388 15 S HA -0.171 4.299 4.470 -0.001 0.000 0.569 15 S C 1.056 175.720 174.600 0.108 0.000 0.676 15 S CA 0.446 58.660 58.200 0.023 0.000 1.373 15 S CB -1.102 62.085 63.200 -0.021 0.000 1.106 15 S HN 0.838 nan 8.310 nan 0.000 0.833 16 L N 0.760 122.044 121.223 0.102 0.000 4.065 16 L HA -0.417 3.922 4.340 -0.001 0.000 0.053 16 L C 2.068 179.013 176.870 0.126 0.000 4.034 16 L CA 2.181 57.079 54.840 0.097 0.000 0.961 16 L CB -1.268 40.829 42.059 0.064 0.000 3.355 16 L HN 0.716 nan 8.230 nan 0.000 0.893 17 E N -0.538 119.747 120.200 0.140 0.000 2.394 17 E HA -0.198 4.152 4.350 -0.001 0.000 0.202 17 E C 1.341 177.889 176.600 -0.085 0.000 1.029 17 E CA 1.911 58.322 56.400 0.018 0.000 0.855 17 E CB -0.142 29.532 29.700 -0.044 0.000 0.770 17 E HN 0.662 nan 8.360 nan 0.000 0.527 18 H N -1.607 117.465 119.070 0.004 0.000 2.332 18 H HA 0.158 4.714 4.556 -0.001 0.000 0.316 18 H C 1.794 177.125 175.328 0.005 0.000 1.069 18 H CA 0.521 56.568 56.048 -0.003 0.000 1.484 18 H CB -0.553 29.215 29.762 0.011 0.000 1.496 18 H HN -0.090 nan 8.280 nan 0.000 0.623 19 V N 1.603 121.636 119.914 0.198 0.000 3.025 19 V HA -0.209 3.911 4.120 -0.001 0.000 0.269 19 V C 1.885 178.028 176.094 0.082 0.000 1.159 19 V CA 1.399 63.783 62.300 0.140 0.000 1.171 19 V CB -0.821 31.107 31.823 0.175 0.000 0.762 19 V HN 0.210 nan 8.190 nan 0.000 0.530 20 L N -0.940 120.315 121.223 0.053 0.000 2.269 20 L HA 0.233 4.573 4.340 -0.001 0.000 0.200 20 L C 1.790 178.657 176.870 -0.006 0.000 1.069 20 L CA 1.482 56.333 54.840 0.018 0.000 0.804 20 L CB -0.072 41.992 42.059 0.008 0.000 0.987 20 L HN 0.204 nan 8.230 nan 0.000 0.468 21 L N -1.234 119.970 121.223 -0.031 0.000 2.627 21 L HA 0.056 4.396 4.340 -0.001 0.000 0.233 21 L C 1.677 178.493 176.870 -0.089 0.000 1.144 21 L CA -0.273 54.519 54.840 -0.080 0.000 0.892 21 L CB -0.146 41.832 42.059 -0.134 0.000 1.039 21 L HN 0.074 nan 8.230 nan 0.000 0.442 22 V N 0.600 120.501 119.914 -0.020 0.000 2.403 22 V HA -0.007 4.113 4.120 -0.001 0.000 0.239 22 V C -0.289 175.836 176.094 0.051 0.000 1.041 22 V CA 1.067 63.373 62.300 0.010 0.000 1.051 22 V CB -1.140 30.712 31.823 0.049 0.000 0.704 22 V HN 0.311 nan 8.190 nan 0.000 0.472 23 P HA -0.160 nan 4.420 nan 0.000 0.222 23 P C 1.312 178.666 177.300 0.090 0.000 1.142 23 P CA 1.425 64.575 63.100 0.082 0.000 0.788 23 P CB -0.332 31.394 31.700 0.044 0.000 0.767 24 T N -1.008 113.577 114.554 0.052 0.000 3.051 24 T HA 0.060 4.409 4.350 -0.001 0.000 0.269 24 T C 1.785 176.637 174.700 0.254 0.000 1.127 24 T CA 1.334 63.459 62.100 0.041 0.000 1.107 24 T CB -0.188 68.708 68.868 0.046 0.000 0.898 24 T HN 0.195 nan 8.240 nan 0.000 0.517 25 A N 0.102 123.088 122.820 0.276 0.000 2.127 25 A HA 0.342 4.662 4.320 -0.001 0.000 0.204 25 A C 2.282 180.118 177.584 0.420 0.000 1.243 25 A CA 0.678 52.995 52.037 0.467 0.000 0.887 25 A CB -0.471 18.682 19.000 0.255 0.000 0.933 25 A HN 0.342 nan 8.150 nan 0.000 0.479 26 S N -1.148 114.724 115.700 0.287 0.000 2.368 26 S HA -0.127 4.343 4.470 -0.001 0.000 0.225 26 S C 1.610 176.436 174.600 0.376 0.000 1.030 26 S CA 1.854 60.227 58.200 0.288 0.000 0.999 26 S CB -0.393 62.938 63.200 0.217 0.000 0.844 26 S HN 0.514 nan 8.310 nan 0.000 0.459 27 F N 0.267 120.315 119.950 0.163 0.000 2.446 27 F HA 0.388 4.915 4.527 -0.001 0.000 0.292 27 F C 1.658 177.600 175.800 0.237 0.000 1.096 27 F CA 0.161 58.249 58.000 0.148 0.000 1.438 27 F CB -0.386 38.632 39.000 0.029 0.000 1.107 27 F HN 0.255 nan 8.300 nan 0.000 0.546 28 F N -0.646 119.424 119.950 0.200 0.000 2.216 28 F HA -0.235 4.292 4.527 -0.001 0.000 0.300 28 F C 2.364 178.008 175.800 -0.259 0.000 1.085 28 F CA 0.226 58.239 58.000 0.022 0.000 1.326 28 F CB -0.021 39.153 39.000 0.289 0.000 1.027 28 F HN -0.048 nan 8.300 nan 0.000 0.497 29 I N 0.320 120.975 120.570 0.143 0.000 2.617 29 I HA -0.094 4.076 4.170 -0.001 0.000 0.256 29 I C 2.178 178.256 176.117 -0.065 0.000 1.167 29 I CA 0.923 62.205 61.300 -0.031 0.000 1.469 29 I CB -0.883 37.230 38.000 0.187 0.000 1.098 29 I HN -0.058 nan 8.210 nan 0.000 0.436 30 A N 0.575 123.417 122.820 0.036 0.000 2.250 30 A HA -0.028 4.292 4.320 -0.001 0.000 0.208 30 A C 1.240 178.711 177.584 -0.188 0.000 1.254 30 A CA 0.409 52.479 52.037 0.054 0.000 0.858 30 A CB -1.018 17.989 19.000 0.013 0.000 0.820 30 A HN 0.428 nan 8.150 nan 0.000 0.484 31 S N 0.598 116.179 115.700 -0.198 0.000 3.361 31 S HA -0.127 4.343 4.470 -0.001 0.000 0.396 31 S C 1.378 175.874 174.600 -0.175 0.000 1.165 31 S CA 0.618 58.685 58.200 -0.221 0.000 1.192 31 S CB -0.477 62.556 63.200 -0.278 0.000 0.843 31 S HN 0.699 nan 8.310 nan 0.000 0.528 32 Q N 3.440 123.130 119.800 -0.183 0.000 2.274 32 Q HA -0.265 4.075 4.340 -0.001 0.000 0.220 32 Q C 1.433 177.358 176.000 -0.126 0.000 1.043 32 Q CA 2.360 58.081 55.803 -0.136 0.000 0.964 32 Q CB -0.625 28.045 28.738 -0.113 0.000 1.051 32 Q HN 0.833 nan 8.270 nan 0.000 0.425 33 L N 0.700 121.826 121.223 -0.161 0.000 2.693 33 L HA -0.080 4.260 4.340 -0.001 0.000 0.242 33 L C 1.555 178.379 176.870 -0.077 0.000 1.157 33 L CA -0.031 54.664 54.840 -0.241 0.000 0.929 33 L CB -0.103 41.787 42.059 -0.282 0.000 1.103 33 L HN 0.242 nan 8.230 nan 0.000 0.430 34 Q N -0.760 119.031 119.800 -0.015 0.000 2.431 34 Q HA 0.041 4.380 4.340 -0.001 0.000 0.244 34 Q C 1.658 177.715 176.000 0.096 0.000 0.880 34 Q CA 0.554 56.385 55.803 0.046 0.000 0.954 34 Q CB 0.286 28.980 28.738 -0.074 0.000 1.105 34 Q HN 0.489 nan 8.270 nan 0.000 0.558 35 E N 0.970 121.229 120.200 0.099 0.000 2.112 35 E HA -0.058 4.292 4.350 -0.001 0.000 0.190 35 E C 1.760 178.425 176.600 0.108 0.000 0.979 35 E CA 0.524 57.012 56.400 0.146 0.000 0.814 35 E CB 0.198 29.970 29.700 0.119 0.000 0.762 35 E HN 0.302 nan 8.360 nan 0.000 0.460 36 Q N -0.552 119.282 119.800 0.056 0.000 2.424 36 Q HA 0.077 4.417 4.340 -0.001 0.000 0.204 36 Q C 0.993 177.098 176.000 0.173 0.000 0.933 36 Q CA 0.336 56.168 55.803 0.047 0.000 0.929 36 Q CB 0.336 29.040 28.738 -0.056 0.000 1.037 36 Q HN 0.300 nan 8.270 nan 0.000 0.511 37 F N 0.426 120.386 119.950 0.016 0.000 2.664 37 F HA 0.055 4.581 4.527 -0.001 0.000 0.303 37 F C 1.275 177.083 175.800 0.013 0.000 1.092 37 F CA -0.306 57.706 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 0.213 nan 8.300 nan 0.000 0.565 38 N N -0.486 118.334 118.700 0.200 0.000 2.257 38 N HA -0.026 4.714 4.740 -0.001 0.000 0.200 38 N C 0.999 176.573 175.510 0.106 0.000 1.163 38 N CA 0.220 53.342 53.050 0.120 0.000 0.891 38 N CB -0.130 38.435 38.487 0.130 0.000 1.067 38 N HN -0.059 nan 8.380 nan 0.000 0.497 39 K N 0.153 120.625 120.400 0.119 0.000 2.361 39 K HA 0.296 4.616 4.320 -0.001 0.000 0.196 39 K C 0.578 177.230 176.600 0.086 0.000 1.039 39 K CA 0.386 56.727 56.287 0.090 0.000 1.001 39 K CB 0.173 32.721 32.500 0.080 0.000 0.795 39 K HN 0.275 nan 8.250 nan 0.000 0.495 40 I N 1.536 122.175 120.570 0.115 0.000 3.806 40 I HA -0.016 4.154 4.170 -0.001 0.000 0.321 40 I C 0.832 176.982 176.117 0.055 0.000 1.315 40 I CA 0.414 61.772 61.300 0.097 0.000 1.148 40 I CB 0.193 38.285 38.000 0.153 0.000 1.028 40 I HN 0.075 nan 8.210 nan 0.000 0.415 41 L N 0.159 121.412 121.223 0.049 0.000 3.017 41 L HA 0.209 4.549 4.340 -0.001 0.000 0.265 41 L C -0.905 175.980 176.870 0.025 0.000 1.128 41 L CA 0.014 54.869 54.840 0.025 0.000 0.984 41 L CB -1.133 40.934 42.059 0.013 0.000 1.464 41 L HN 0.007 nan 8.230 nan 0.000 0.556 42 P HA -0.071 nan 4.420 nan 0.000 0.226 42 P C 0.752 178.066 177.300 0.022 0.000 1.153 42 P CA 1.400 64.518 63.100 0.030 0.000 0.777 42 P CB 0.635 32.357 31.700 0.036 0.000 0.794 43 E N -0.577 119.637 120.200 0.023 0.000 2.870 43 E HA 0.131 4.481 4.350 -0.001 0.000 0.185 43 E C -1.551 175.058 176.600 0.015 0.000 1.084 43 E CA -0.023 56.388 56.400 0.018 0.000 1.246 43 E CB -0.791 28.921 29.700 0.020 0.000 1.382 43 E HN 0.200 nan 8.360 nan 0.000 0.492 44 P HA 0.108 nan 4.420 nan 0.000 0.225 44 P C -1.274 176.031 177.300 0.008 0.000 1.768 44 P CA 0.258 63.367 63.100 0.015 0.000 0.943 44 P CB -0.339 31.373 31.700 0.021 0.000 1.936 45 T N 2.709 117.265 114.554 0.004 0.000 2.327 45 T HA -0.177 4.173 4.350 -0.001 0.000 0.180 45 T C 0.642 175.331 174.700 -0.018 0.000 1.142 45 T CA 0.869 62.966 62.100 -0.005 0.000 3.262 45 T CB -0.997 67.867 68.868 -0.007 0.000 0.793 45 T HN 0.390 nan 8.240 nan 0.000 0.301 46 E N 0.355 120.539 120.200 -0.027 0.000 2.320 46 E HA -0.201 4.148 4.350 -0.001 0.000 0.234 46 E C 1.298 177.859 176.600 -0.066 0.000 1.183 46 E CA 0.909 57.272 56.400 -0.062 0.000 0.713 46 E CB -1.652 28.003 29.700 -0.074 0.000 1.226 46 E HN 0.823 nan 8.360 nan 0.000 0.382 47 G N -0.752 108.026 108.800 -0.036 0.000 2.681 47 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.220 47 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.220 47 G C 0.559 175.483 174.900 0.041 0.000 1.210 47 G CA 1.461 46.561 45.100 -0.001 0.000 0.783 47 G HN 0.343 nan 8.290 nan 0.000 0.609 48 F N -1.409 118.337 119.950 -0.341 0.000 3.084 48 F HA 0.610 5.137 4.527 -0.001 0.000 0.336 48 F C 0.095 175.558 175.800 -0.562 0.000 1.230 48 F CA -0.576 57.170 58.000 -0.424 0.000 0.993 48 F CB 0.640 39.361 39.000 -0.465 0.000 1.496 48 F HN 0.557 nan 8.300 nan 0.000 0.522 49 A N 2.118 124.427 122.820 -0.850 0.000 1.539 49 A HA 0.331 4.650 4.320 -0.001 0.000 0.299 49 A C 0.503 177.870 177.584 -0.362 0.000 1.101 49 A CA 1.136 52.835 52.037 -0.563 0.000 1.285 49 A CB -2.073 16.768 19.000 -0.264 0.000 0.879 49 A HN 2.650 nan 8.150 nan 0.000 0.199 50 A N 2.186 124.815 122.820 -0.318 0.000 6.643 50 A HA 0.108 4.428 4.320 -0.001 0.000 0.230 50 A C 1.195 178.669 177.584 -0.183 0.000 2.273 50 A CA 1.403 53.316 52.037 -0.207 0.000 0.690 50 A CB -1.332 17.584 19.000 -0.140 0.000 0.908 50 A HN 2.433 nan 8.150 nan 0.000 0.366 51 D N -1.694 118.625 120.400 -0.136 0.000 2.332 51 D HA -0.299 4.341 4.640 -0.001 0.000 0.166 51 D C 1.053 177.295 176.300 -0.097 0.000 1.574 51 D CA 2.426 56.361 54.000 -0.108 0.000 1.598 51 D CB -1.654 39.087 40.800 -0.097 0.000 1.354 51 D HN 1.162 nan 8.370 nan 0.000 0.481 52 D N 1.527 121.857 120.400 -0.117 0.000 2.653 52 D HA -0.261 4.379 4.640 -0.001 0.000 0.199 52 D C 0.896 177.153 176.300 -0.071 0.000 1.042 52 D CA 2.093 56.034 54.000 -0.098 0.000 0.876 52 D CB -0.614 40.117 40.800 -0.114 0.000 1.010 52 D HN 0.608 nan 8.370 nan 0.000 0.473 53 E N 1.085 121.246 120.200 -0.067 0.000 2.231 53 E HA 0.186 4.536 4.350 -0.001 0.000 0.277 53 E C -2.008 174.555 176.600 -0.062 0.000 0.999 53 E CA -1.975 54.392 56.400 -0.056 0.000 0.827 53 E CB 2.244 31.921 29.700 -0.039 0.000 1.101 53 E HN -0.173 nan 8.360 nan 0.000 0.393 54 P HA -0.166 nan 4.420 nan 0.000 0.217 54 P C 0.384 177.648 177.300 -0.061 0.000 1.151 54 P CA 1.543 64.600 63.100 -0.070 0.000 0.849 54 P CB 0.234 31.878 31.700 -0.093 0.000 0.787 55 T N -2.578 111.939 114.554 -0.062 0.000 3.163 55 T HA 0.058 4.408 4.350 -0.001 0.000 0.252 55 T C 1.206 175.915 174.700 0.014 0.000 1.056 55 T CA 0.519 62.615 62.100 -0.006 0.000 0.947 55 T CB -0.626 68.251 68.868 0.015 0.000 1.016 55 T HN 0.101 nan 8.240 nan 0.000 0.554 56 T N 2.673 117.209 114.554 -0.030 0.000 3.085 56 T HA 0.019 4.368 4.350 -0.001 0.000 0.263 56 T C -1.011 173.640 174.700 -0.082 0.000 1.127 56 T CA 0.319 62.385 62.100 -0.057 0.000 1.103 56 T CB -0.640 68.184 68.868 -0.073 0.000 0.921 56 T HN 0.337 nan 8.240 nan 0.000 0.510 57 P HA 0.019 nan 4.420 nan 0.000 0.215 57 P C 1.605 178.859 177.300 -0.076 0.000 1.157 57 P CA 0.906 63.960 63.100 -0.077 0.000 0.863 57 P CB -0.167 31.493 31.700 -0.066 0.000 0.787 58 A N -0.176 122.599 122.820 -0.074 0.000 2.159 58 A HA -0.271 4.049 4.320 -0.001 0.000 0.222 58 A C 1.943 179.385 177.584 -0.236 0.000 1.163 58 A CA 1.618 53.582 52.037 -0.122 0.000 0.664 58 A CB -0.926 18.016 19.000 -0.098 0.000 0.803 58 A HN 0.147 nan 8.150 nan 0.000 0.470 59 E N -0.160 119.915 120.200 -0.209 0.000 1.987 59 E HA -0.147 4.202 4.350 -0.001 0.000 0.200 59 E C 1.931 178.478 176.600 -0.089 0.000 0.990 59 E CA 1.147 57.434 56.400 -0.188 0.000 0.859 59 E CB -0.883 28.737 29.700 -0.133 0.000 0.805 59 E HN 0.450 nan 8.360 nan 0.000 0.499 60 L N 1.041 122.236 121.223 -0.045 0.000 2.051 60 L HA -0.209 4.130 4.340 -0.001 0.000 0.214 60 L C 2.579 179.524 176.870 0.126 0.000 1.076 60 L CA 1.203 56.061 54.840 0.031 0.000 0.758 60 L CB -1.057 41.007 42.059 0.008 0.000 0.890 60 L HN 0.017 nan 8.230 nan 0.000 0.433 61 V N -0.365 119.604 119.914 0.092 0.000 2.237 61 V HA -0.189 3.931 4.120 -0.001 0.000 0.245 61 V C 2.252 178.402 176.094 0.092 0.000 1.046 61 V CA 1.930 64.330 62.300 0.167 0.000 1.007 61 V CB -1.488 30.394 31.823 0.098 0.000 0.638 61 V HN 0.547 nan 8.190 nan 0.000 0.445 62 G N -0.876 107.929 108.800 0.009 0.000 3.094 62 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.208 62 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.208 62 G C 1.202 176.093 174.900 -0.014 0.000 1.189 62 G CA 0.707 45.793 45.100 -0.023 0.000 0.856 62 G HN 0.538 nan 8.290 nan 0.000 0.510 63 K N -0.700 119.718 120.400 0.032 0.000 2.469 63 K HA 0.133 4.453 4.320 -0.001 0.000 0.228 63 K C 1.928 178.600 176.600 0.120 0.000 1.266 63 K CA -0.102 56.220 56.287 0.058 0.000 0.775 63 K CB -0.420 32.108 32.500 0.047 0.000 1.582 63 K HN 0.013 nan 8.250 nan 0.000 0.415 64 F N 3.224 123.210 119.950 0.061 0.000 2.085 64 F HA -0.265 4.261 4.527 -0.001 0.000 0.299 64 F C 1.629 177.525 175.800 0.161 0.000 1.096 64 F CA 1.819 59.878 58.000 0.098 0.000 1.227 64 F CB -0.697 38.342 39.000 0.065 0.000 0.983 64 F HN 0.116 nan 8.300 nan 0.000 0.482 65 L N 0.375 121.280 121.223 -0.530 0.000 2.056 65 L HA -0.056 4.284 4.340 -0.001 0.000 0.207 65 L C 2.749 179.553 176.870 -0.110 0.000 1.078 65 L CA 1.231 55.785 54.840 -0.477 0.000 0.749 65 L CB -1.547 40.359 42.059 -0.255 0.000 0.901 65 L HN 0.387 nan 8.230 nan 0.000 0.433 66 G N -2.060 106.722 108.800 -0.030 0.000 2.740 66 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.208 66 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.208 66 G C 0.995 175.947 174.900 0.086 0.000 1.148 66 G CA 0.408 45.524 45.100 0.026 0.000 0.795 66 G HN 0.344 nan 8.290 nan 0.000 0.526 67 Y N -0.700 119.551 120.300 -0.081 0.000 2.886 67 Y HA 0.200 4.750 4.550 -0.001 0.000 0.244 67 Y C 2.098 177.925 175.900 -0.123 0.000 1.017 67 Y CA 0.060 58.115 58.100 -0.076 0.000 1.389 67 Y CB 0.215 38.657 38.460 -0.031 0.000 1.477 67 Y HN -0.067 nan 8.280 nan 0.000 0.466 68 V N 2.754 122.526 119.914 -0.235 0.000 3.440 68 V HA -0.143 3.977 4.120 -0.001 0.000 0.274 68 V C 1.549 177.284 176.094 -0.597 0.000 1.207 68 V CA 1.046 63.094 62.300 -0.420 0.000 1.183 68 V CB -2.145 29.526 31.823 -0.253 0.000 0.837 68 V HN 0.541 nan 8.190 nan 0.000 0.532 69 S N 1.642 117.132 115.700 -0.350 0.000 2.465 69 S HA -0.143 4.327 4.470 -0.001 0.000 0.215 69 S C 2.134 176.608 174.600 -0.210 0.000 1.438 69 S CA 0.757 58.874 58.200 -0.138 0.000 1.223 69 S CB -0.829 62.365 63.200 -0.010 0.000 0.636 69 S HN 0.629 nan 8.310 nan 0.000 0.421 70 S N 1.028 116.685 115.700 -0.072 0.000 2.420 70 S HA -0.099 4.370 4.470 -0.001 0.000 0.237 70 S C 1.360 175.872 174.600 -0.147 0.000 1.023 70 S CA 1.280 59.436 58.200 -0.073 0.000 0.991 70 S CB -1.352 61.828 63.200 -0.033 0.000 0.792 70 S HN 0.925 nan 8.310 nan 0.000 0.488 71 L N -0.049 121.040 121.223 -0.222 0.000 4.179 71 L HA -0.178 4.162 4.340 -0.001 0.000 0.418 71 L C -0.499 176.279 176.870 -0.153 0.000 1.168 71 L CA 0.396 55.078 54.840 -0.263 0.000 0.972 71 L CB -2.158 39.733 42.059 -0.280 0.000 2.005 71 L HN 0.625 nan 8.230 nan 0.000 0.935 72 V N -6.496 113.355 119.914 -0.105 0.000 2.848 72 V HA 0.113 4.233 4.120 -0.001 0.000 0.252 72 V C 0.885 176.956 176.094 -0.039 0.000 1.760 72 V CA -0.849 61.416 62.300 -0.059 0.000 0.901 72 V CB 1.291 33.086 31.823 -0.048 0.000 1.324 72 V HN 0.087 nan 8.190 nan 0.000 0.464 73 E N 0.862 121.049 120.200 -0.022 0.000 2.153 73 E HA -0.051 4.298 4.350 -0.001 0.000 0.194 73 E C -1.347 175.246 176.600 -0.012 0.000 0.988 73 E CA 1.480 57.872 56.400 -0.013 0.000 0.811 73 E CB -0.561 29.137 29.700 -0.004 0.000 0.746 73 E HN 0.723 nan 8.360 nan 0.000 0.466 74 P HA -0.020 nan 4.420 nan 0.000 0.238 74 P C -0.698 176.595 177.300 -0.010 0.000 1.729 74 P CA 0.161 63.256 63.100 -0.009 0.000 1.055 74 P CB -0.499 31.196 31.700 -0.008 0.000 1.980 75 S N 1.408 117.103 115.700 -0.007 0.000 4.620 75 S HA -0.267 4.203 4.470 -0.001 0.000 0.552 75 S C 0.774 175.375 174.600 0.001 0.000 0.994 75 S CA 0.128 58.327 58.200 -0.001 0.000 0.991 75 S CB -0.154 63.047 63.200 0.003 0.000 1.522 75 S HN 0.430 nan 8.310 nan 0.000 0.402 76 K N 3.369 123.772 120.400 0.004 0.000 2.790 76 K HA 0.363 4.683 4.320 -0.001 0.000 0.229 76 K C -0.025 176.599 176.600 0.041 0.000 1.040 76 K CA 0.160 56.451 56.287 0.007 0.000 1.211 76 K CB -0.909 31.579 32.500 -0.020 0.000 1.002 76 K HN 0.797 nan 8.250 nan 0.000 0.479 77 V N -1.725 118.207 119.914 0.030 0.000 3.665 77 V HA -0.257 3.862 4.120 -0.001 0.000 0.523 77 V C 1.641 177.758 176.094 0.039 0.000 0.682 77 V CA 0.621 62.938 62.300 0.029 0.000 2.080 77 V CB -1.322 30.517 31.823 0.028 0.000 2.492 77 V HN 0.564 nan 8.190 nan 0.000 0.514 78 G N 0.298 109.103 108.800 0.009 0.000 2.745 78 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.225 78 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.225 78 G C 1.026 175.910 174.900 -0.026 0.000 1.108 78 G CA 1.771 46.860 45.100 -0.019 0.000 0.749 78 G HN 0.957 nan 8.290 nan 0.000 0.625 79 Q N -0.084 119.729 119.800 0.023 0.000 1.992 79 Q HA -0.204 4.135 4.340 -0.001 0.000 0.216 79 Q C 0.912 176.831 176.000 -0.135 0.000 1.047 79 Q CA 1.586 57.414 55.803 0.041 0.000 0.899 79 Q CB -0.566 28.381 28.738 0.348 0.000 1.021 79 Q HN 0.580 nan 8.270 nan 0.000 0.421 80 F N -0.873 119.050 119.950 -0.045 0.000 2.542 80 F HA 0.255 4.781 4.527 -0.001 0.000 0.323 80 F C 0.046 175.810 175.800 -0.060 0.000 1.411 80 F CA -0.496 57.465 58.000 -0.063 0.000 1.124 80 F CB 0.641 39.587 39.000 -0.092 0.000 1.331 80 F HN 0.051 nan 8.300 nan 0.000 0.560 81 D N -0.490 119.950 120.400 0.068 0.000 2.530 81 D HA 0.005 4.645 4.640 -0.001 0.000 0.290 81 D C 1.173 177.476 176.300 0.005 0.000 1.398 81 D CA 0.379 54.400 54.000 0.035 0.000 0.848 81 D CB 0.522 41.341 40.800 0.032 0.000 1.279 81 D HN 0.239 nan 8.370 nan 0.000 0.483 82 Q N -0.407 119.384 119.800 -0.016 0.000 2.399 82 Q HA 0.049 4.389 4.340 -0.001 0.000 0.205 82 Q C 0.998 176.980 176.000 -0.029 0.000 0.733 82 Q CA 0.503 56.293 55.803 -0.021 0.000 0.916 82 Q CB 0.201 28.917 28.738 -0.037 0.000 1.299 82 Q HN 0.078 nan 8.270 nan 0.000 0.455 83 V N 2.491 122.358 119.914 -0.079 0.000 2.568 83 V HA -0.217 3.903 4.120 -0.001 0.000 0.253 83 V C 2.477 178.540 176.094 -0.051 0.000 1.072 83 V CA 1.855 64.101 62.300 -0.091 0.000 1.084 83 V CB -0.663 31.031 31.823 -0.215 0.000 0.676 83 V HN 0.305 nan 8.190 nan 0.000 0.469 84 L N -0.041 121.154 121.223 -0.046 0.000 2.240 84 L HA 0.014 4.354 4.340 -0.001 0.000 0.211 84 L C 1.993 178.872 176.870 0.015 0.000 1.106 84 L CA 1.699 56.531 54.840 -0.015 0.000 0.793 84 L CB -0.692 41.368 42.059 0.002 0.000 0.927 84 L HN 0.253 nan 8.230 nan 0.000 0.446 85 N N -0.706 118.005 118.700 0.019 0.000 2.376 85 N HA -0.086 4.654 4.740 -0.001 0.000 0.177 85 N C 1.800 177.345 175.510 0.058 0.000 1.024 85 N CA 0.859 53.931 53.050 0.035 0.000 0.893 85 N CB 0.127 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 1.469 122.733 121.223 0.069 0.000 2.079 86 L HA -0.193 4.147 4.340 -0.001 0.000 0.210 86 L C 2.497 179.416 176.870 0.080 0.000 1.081 86 L CA 1.665 56.559 54.840 0.090 0.000 0.752 86 L CB -0.552 41.595 42.059 0.146 0.000 0.896 86 L HN 0.299 nan 8.230 nan 0.000 0.433 87 C N -3.393 115.955 119.300 0.080 0.000 2.519 87 C HA 0.132 4.591 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 -0.294 58.783 59.018 0.099 0.000 1.725 87 C CB -1.318 26.466 27.740 0.075 0.000 2.079 87 C HN 0.470 nan 8.230 nan 0.000 0.496 88 L N 2.273 123.575 121.223 0.131 0.000 1.976 88 L HA -0.213 4.127 4.340 -0.001 0.000 0.223 88 L C 2.892 179.913 176.870 0.252 0.000 1.081 88 L CA 2.723 57.671 54.840 0.181 0.000 0.784 88 L CB -1.311 40.802 42.059 0.091 0.000 0.896 88 L HN 0.392 nan 8.230 nan 0.000 0.438 89 T N -1.690 112.961 114.554 0.162 0.000 2.821 89 T HA -0.208 4.142 4.350 -0.001 0.000 0.267 89 T C 1.700 176.480 174.700 0.133 0.000 1.046 89 T CA 1.198 63.380 62.100 0.137 0.000 1.139 89 T CB -0.227 68.692 68.868 0.085 0.000 0.871 89 T HN 0.367 nan 8.240 nan 0.000 0.454 90 E N 0.974 121.255 120.200 0.135 0.000 2.187 90 E HA -0.196 4.154 4.350 -0.001 0.000 0.199 90 E C 1.655 178.361 176.600 0.176 0.000 1.004 90 E CA 1.250 57.724 56.400 0.124 0.000 0.813 90 E CB -0.545 29.223 29.700 0.112 0.000 0.736 90 E HN 0.538 nan 8.360 nan 0.000 0.468 91 F N 1.175 121.177 119.950 0.088 0.000 2.187 91 F HA 0.151 4.677 4.527 -0.001 0.000 0.295 91 F C 1.891 177.746 175.800 0.092 0.000 1.091 91 F CA 1.385 59.444 58.000 0.098 0.000 1.308 91 F CB -0.390 38.702 39.000 0.152 0.000 1.030 91 F HN 0.069 nan 8.300 nan 0.000 0.487 92 E N 0.234 120.395 120.200 -0.065 0.000 2.533 92 E HA -0.135 4.215 4.350 -0.001 0.000 0.203 92 E C -0.249 176.253 176.600 -0.163 0.000 1.101 92 E CA 0.367 56.657 56.400 -0.183 0.000 0.894 92 E CB -0.467 29.260 29.700 0.046 0.000 0.843 92 E HN 0.397 nan 8.360 nan 0.000 0.552 93 N N -0.376 118.246 118.700 -0.130 0.000 2.646 93 N HA 0.080 4.819 4.740 -0.001 0.000 0.303 93 N C -0.143 175.340 175.510 -0.047 0.000 1.921 93 N CA 0.100 53.109 53.050 -0.068 0.000 0.872 93 N CB 0.772 39.250 38.487 -0.014 0.000 1.327 93 N HN 0.218 nan 8.380 nan 0.000 0.492 94 C N -2.062 117.184 119.300 -0.090 0.000 2.794 94 C HA 0.401 4.861 4.460 -0.001 0.000 0.443 94 C C 0.626 175.685 174.990 0.114 0.000 1.484 94 C CA -0.063 58.956 59.018 0.002 0.000 2.501 94 C CB 0.233 27.991 27.740 0.030 0.000 2.715 94 C HN 0.283 nan 8.230 nan 0.000 0.570 95 Y N 2.245 122.427 120.300 -0.196 0.000 2.892 95 Y HA 0.489 5.038 4.550 -0.001 0.000 0.242 95 Y C 0.786 176.563 175.900 -0.206 0.000 1.080 95 Y CA -0.626 57.384 58.100 -0.149 0.000 1.147 95 Y CB 0.176 38.588 38.460 -0.080 0.000 1.229 95 Y HN 0.525 nan 8.280 nan 0.000 0.633 96 L N -3.118 117.970 121.223 -0.224 0.000 2.688 96 L HA 0.471 4.811 4.340 -0.001 0.000 0.216 96 L C 0.100 176.846 176.870 -0.206 0.000 1.036 96 L CA -0.234 54.444 54.840 -0.270 0.000 0.906 96 L CB -0.168 41.635 42.059 -0.425 0.000 1.501 96 L HN -0.094 nan 8.230 nan 0.000 0.489 97 E N 2.310 122.402 120.200 -0.180 0.000 2.273 97 E HA -0.082 4.268 4.350 -0.001 0.000 0.177 97 E C 0.935 177.478 176.600 -0.093 0.000 1.511 97 E CA 0.399 56.730 56.400 -0.115 0.000 0.675 97 E CB -1.943 27.697 29.700 -0.101 0.000 1.094 97 E HN 0.803 nan 8.360 nan 0.000 0.348 98 G N 2.121 110.873 108.800 -0.081 0.000 2.591 98 G HA2 -0.564 3.396 3.960 -0.001 0.000 0.298 98 G HA3 -0.564 3.396 3.960 -0.001 0.000 0.298 98 G C 0.726 175.584 174.900 -0.070 0.000 1.195 98 G CA 1.135 46.210 45.100 -0.041 0.000 0.989 98 G HN 1.009 nan 8.290 nan 0.000 0.551 99 N N -0.680 117.987 118.700 -0.056 0.000 2.908 99 N HA -0.348 4.392 4.740 -0.001 0.000 0.227 99 N C 0.087 175.563 175.510 -0.056 0.000 0.834 99 N CA 2.429 55.438 53.050 -0.068 0.000 1.118 99 N CB -0.504 37.920 38.487 -0.105 0.000 1.008 99 N HN 1.815 nan 8.380 nan 0.000 0.623 100 D N -1.357 119.013 120.400 -0.049 0.000 10.353 100 D HA -0.129 4.511 4.640 -0.001 0.000 0.299 100 D C 0.790 177.067 176.300 -0.039 0.000 2.968 100 D CA 0.538 54.529 54.000 -0.015 0.000 2.730 100 D CB -0.571 40.240 40.800 0.018 0.000 1.136 100 D HN 0.124 nan 8.370 nan 0.000 0.868 101 I N 3.796 124.319 120.570 -0.079 0.000 2.151 101 I HA -0.252 3.918 4.170 -0.001 0.000 0.243 101 I C 2.364 178.533 176.117 0.086 0.000 1.080 101 I CA 1.621 62.870 61.300 -0.084 0.000 1.339 101 I CB -1.104 36.803 38.000 -0.155 0.000 1.039 101 I HN 0.606 nan 8.210 nan 0.000 0.409 102 H N -0.048 119.048 119.070 0.043 0.000 2.466 102 H HA -0.203 4.352 4.556 -0.001 0.000 0.297 102 H C 1.996 177.364 175.328 0.067 0.000 1.113 102 H CA 1.415 57.515 56.048 0.088 0.000 1.273 102 H CB 0.405 30.233 29.762 0.111 0.000 1.371 102 H HN 0.389 nan 8.280 nan 0.000 0.528 103 A N 0.454 123.334 122.820 0.099 0.000 1.984 103 A HA -0.043 4.277 4.320 -0.001 0.000 0.214 103 A C 2.157 179.700 177.584 -0.068 0.000 1.173 103 A CA 0.304 52.332 52.037 -0.015 0.000 0.673 103 A CB -0.241 18.723 19.000 -0.059 0.000 0.830 103 A HN 0.289 nan 8.150 nan 0.000 0.453 104 L N -0.275 120.918 121.223 -0.049 0.000 2.551 104 L HA 0.134 4.473 4.340 -0.001 0.000 0.228 104 L C 2.238 179.105 176.870 -0.005 0.000 1.153 104 L CA 1.302 56.115 54.840 -0.044 0.000 0.851 104 L CB -0.673 41.369 42.059 -0.029 0.000 0.959 104 L HN 0.317 nan 8.230 nan 0.000 0.451 105 A N -0.456 122.361 122.820 -0.005 0.000 1.929 105 A HA 0.026 4.345 4.320 -0.001 0.000 0.216 105 A C 2.468 180.052 177.584 0.001 0.000 1.176 105 A CA 1.238 53.274 52.037 -0.002 0.000 0.628 105 A CB -0.847 18.136 19.000 -0.027 0.000 0.816 105 A HN 0.502 nan 8.150 nan 0.000 0.444 106 A N 0.226 123.027 122.820 -0.031 0.000 1.933 106 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 106 A C 1.781 179.322 177.584 -0.070 0.000 1.175 106 A CA 1.526 53.510 52.037 -0.089 0.000 0.628 106 A CB -0.441 18.369 19.000 -0.316 0.000 0.814 106 A HN 0.485 nan 8.150 nan 0.000 0.444 107 K N -0.774 119.592 120.400 -0.057 0.000 2.773 107 K HA 0.235 4.555 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 0.248 56.531 56.287 -0.006 0.000 1.126 107 K CB -0.208 32.299 32.500 0.012 0.000 0.919 107 K HN 0.498 nan 8.250 nan 0.000 0.487 108 L N -1.566 119.666 121.223 0.013 0.000 2.567 108 L HA 0.053 4.393 4.340 -0.001 0.000 0.228 108 L C 1.586 178.457 176.870 0.001 0.000 1.046 108 L CA 0.025 54.872 54.840 0.011 0.000 1.013 108 L CB -0.035 42.028 42.059 0.006 0.000 1.944 108 L HN 0.067 nan 8.230 nan 0.000 0.510 109 L N 0.119 121.344 121.223 0.003 0.000 2.129 109 L HA -0.266 4.073 4.340 -0.001 0.000 0.212 109 L C 2.149 179.021 176.870 0.004 0.000 1.087 109 L CA 1.839 56.685 54.840 0.009 0.000 0.757 109 L CB 0.071 42.150 42.059 0.033 0.000 0.896 109 L HN 0.456 nan 8.230 nan 0.000 0.434 110 Q N -1.665 118.133 119.800 -0.005 0.000 2.462 110 Q HA -0.036 4.304 4.340 -0.001 0.000 0.224 110 Q C 1.764 177.760 176.000 -0.006 0.000 0.911 110 Q CA 0.204 56.001 55.803 -0.009 0.000 0.925 110 Q CB 0.385 29.108 28.738 -0.026 0.000 1.063 110 Q HN 0.512 nan 8.270 nan 0.000 0.572 111 E N 0.792 120.993 120.200 0.000 0.000 1.997 111 E HA -0.074 4.275 4.350 -0.001 0.000 0.196 111 E C 1.032 177.636 176.600 0.006 0.000 0.990 111 E CA 0.484 56.891 56.400 0.011 0.000 0.845 111 E CB 0.046 29.770 29.700 0.039 0.000 0.795 111 E HN 0.133 nan 8.360 nan 0.000 0.479 112 N N 1.326 120.029 118.700 0.005 0.000 2.471 112 N HA -0.050 4.689 4.740 -0.001 0.000 0.290 112 N C -0.719 174.784 175.510 -0.012 0.000 1.345 112 N CA -0.010 53.036 53.050 -0.007 0.000 0.920 112 N CB -0.077 38.400 38.487 -0.016 0.000 1.093 112 N HN 0.145 nan 8.380 nan 0.000 0.499 113 D N 0.819 121.207 120.400 -0.021 0.000 2.660 113 D HA -0.095 4.545 4.640 -0.001 0.000 0.253 113 D C -0.611 175.677 176.300 -0.021 0.000 1.256 113 D CA 0.475 54.460 54.000 -0.024 0.000 0.914 113 D CB -0.560 40.217 40.800 -0.039 0.000 1.137 113 D HN 0.174 nan 8.370 nan 0.000 0.542 114 T N 3.412 117.959 114.554 -0.012 0.000 3.859 114 T HA 0.175 4.525 4.350 -0.001 0.000 0.251 114 T C 0.475 175.170 174.700 -0.010 0.000 1.079 114 T CA -0.186 61.909 62.100 -0.007 0.000 1.151 114 T CB -0.610 68.257 68.868 -0.001 0.000 1.173 114 T HN 0.580 nan 8.240 nan 0.000 0.885 115 T N 0.003 114.545 114.554 -0.021 0.000 2.863 115 T HA 0.579 4.929 4.350 -0.001 0.000 0.285 115 T C 0.765 175.445 174.700 -0.033 0.000 1.009 115 T CA -1.068 61.014 62.100 -0.029 0.000 0.989 115 T CB 1.834 70.666 68.868 -0.061 0.000 1.004 115 T HN 0.143 nan 8.240 nan 0.000 0.455 116 L N 3.527 124.735 121.223 -0.025 0.000 2.185 116 L HA 0.290 4.630 4.340 -0.001 0.000 0.198 116 L C 2.223 179.062 176.870 -0.052 0.000 1.079 116 L CA 1.124 55.947 54.840 -0.028 0.000 0.780 116 L CB -0.786 41.267 42.059 -0.009 0.000 0.955 116 L HN 0.608 nan 8.230 nan 0.000 0.462 117 V N 0.594 120.478 119.914 -0.050 0.000 2.594 117 V HA -0.184 3.935 4.120 -0.001 0.000 0.253 117 V C 2.441 178.446 176.094 -0.147 0.000 1.069 117 V CA 1.393 63.647 62.300 -0.076 0.000 1.082 117 V CB -1.005 30.802 31.823 -0.027 0.000 0.680 117 V HN 0.396 nan 8.190 nan 0.000 0.469 118 K N -0.265 120.034 120.400 -0.169 0.000 2.432 118 K HA 0.038 4.357 4.320 -0.001 0.000 0.196 118 K C 1.941 178.458 176.600 -0.138 0.000 1.038 118 K CA 0.851 57.014 56.287 -0.207 0.000 0.986 118 K CB -0.171 32.198 32.500 -0.217 0.000 0.782 118 K HN 0.477 nan 8.250 nan 0.000 0.485 119 T N 0.386 114.878 114.554 -0.103 0.000 3.042 119 T HA 0.092 4.441 4.350 -0.001 0.000 0.245 119 T C 1.699 176.346 174.700 -0.090 0.000 1.029 119 T CA 0.269 62.322 62.100 -0.078 0.000 1.120 119 T CB 0.388 69.221 68.868 -0.058 0.000 0.917 119 T HN 0.101 nan 8.240 nan 0.000 0.467 120 K N 1.402 121.739 120.400 -0.105 0.000 2.026 120 K HA -0.119 4.200 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 -0.127 0.000 0.713 120 K HN 0.436 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 4.120 4.350 -0.001 0.000 0.195 121 E C 2.189 178.739 176.600 -0.084 0.000 1.000 121 E CA 1.113 57.444 56.400 -0.115 0.000 0.803 121 E CB -0.188 29.433 29.700 -0.132 0.000 0.750 121 E HN 0.258 nan 8.360 nan 0.000 0.448 122 L N 0.863 122.038 121.223 -0.079 0.000 2.034 122 L HA -0.277 4.063 4.340 -0.001 0.000 0.217 122 L C 2.338 179.216 176.870 0.013 0.000 1.077 122 L CA 1.867 56.679 54.840 -0.046 0.000 0.769 122 L CB -0.347 41.688 42.059 -0.040 0.000 0.890 122 L HN 0.267 nan 8.230 nan 0.000 0.435 123 I N -0.099 120.482 120.570 0.018 0.000 2.090 123 I HA -0.353 3.817 4.170 -0.001 0.000 0.236 123 I C 2.683 178.876 176.117 0.126 0.000 1.064 123 I CA 1.924 63.291 61.300 0.111 0.000 1.324 123 I CB -0.663 37.383 38.000 0.075 0.000 1.044 123 I HN 0.322 nan 8.210 nan 0.000 0.399 124 K N 1.214 121.616 120.400 0.005 0.000 2.107 124 K HA -0.296 4.024 4.320 -0.001 0.000 0.211 124 K C 1.847 178.478 176.600 0.051 0.000 1.049 124 K CA 2.408 58.697 56.287 0.003 0.000 0.927 124 K CB -0.199 32.253 32.500 -0.079 0.000 0.714 124 K HN 0.270 nan 8.250 nan 0.000 0.452 125 N N -0.072 118.650 118.700 0.036 0.000 2.018 125 N HA -0.210 4.529 4.740 -0.001 0.000 0.196 125 N C 1.502 177.062 175.510 0.083 0.000 1.043 125 N CA 1.732 54.802 53.050 0.033 0.000 0.856 125 N CB -0.712 37.768 38.487 -0.012 0.000 1.042 125 N HN 0.259 nan 8.380 nan 0.000 0.423 126 Y N 1.408 121.708 120.300 0.000 0.000 2.194 126 Y HA -0.161 4.389 4.550 -0.001 0.000 0.239 126 Y C 2.236 178.200 175.900 0.106 0.000 1.040 126 Y CA 1.392 59.530 58.100 0.063 0.000 1.036 126 Y CB -0.931 37.624 38.460 0.158 0.000 0.992 126 Y HN 0.017 nan 8.280 nan 0.000 0.486 127 I N -0.349 120.335 120.570 0.190 0.000 2.242 127 I HA -0.558 3.612 4.170 -0.001 0.000 0.242 127 I C 2.180 178.313 176.117 0.028 0.000 0.998 127 I CA 2.280 63.641 61.300 0.103 0.000 1.283 127 I CB -1.022 37.135 38.000 0.261 0.000 0.985 127 I HN 0.440 nan 8.210 nan 0.000 0.415 128 T N 0.330 114.921 114.554 0.063 0.000 2.701 128 T HA -0.107 4.243 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 1.452 63.588 62.100 0.060 0.000 1.147 128 T CB -0.394 68.524 68.868 0.083 0.000 0.865 128 T HN 0.540 nan 8.240 nan 0.000 0.426 129 A N 1.841 124.654 122.820 -0.012 0.000 1.892 129 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 129 A C 2.252 179.788 177.584 -0.079 0.000 1.188 129 A CA 2.187 54.205 52.037 -0.032 0.000 0.631 129 A CB -0.705 18.270 19.000 -0.042 0.000 0.822 129 A HN 0.449 nan 8.150 nan 0.000 0.447 130 R N -0.601 119.788 120.500 -0.184 0.000 2.113 130 R HA -0.115 4.224 4.340 -0.001 0.000 0.231 130 R C 2.064 178.319 176.300 -0.074 0.000 1.129 130 R CA 2.034 58.013 56.100 -0.202 0.000 0.915 130 R CB -0.500 29.585 30.300 -0.359 0.000 0.837 130 R HN 0.523 nan 8.270 nan 0.000 0.430 131 I N 0.920 121.475 120.570 -0.025 0.000 3.010 131 I HA -0.120 4.049 4.170 -0.001 0.000 0.271 131 I C 0.095 176.220 176.117 0.014 0.000 1.293 131 I CA 0.385 61.700 61.300 0.026 0.000 1.452 131 I CB 0.190 38.242 38.000 0.088 0.000 1.082 131 I HN 0.299 nan 8.210 nan 0.000 0.484 132 M N 1.591 121.191 119.600 0.001 0.000 2.319 132 M HA 0.234 4.714 4.480 -0.001 0.000 0.343 132 M C 0.740 177.036 176.300 -0.007 0.000 1.364 132 M CA 0.655 55.956 55.300 0.001 0.000 1.292 132 M CB -0.386 32.220 32.600 0.009 0.000 1.432 132 M HN 0.424 nan 8.290 nan 0.000 0.448 133 A N 3.458 126.273 122.820 -0.008 0.000 4.131 133 A HA -0.183 4.136 4.320 -0.001 0.000 0.256 133 A C 0.151 177.725 177.584 -0.016 0.000 2.324 133 A CA 0.279 52.310 52.037 -0.010 0.000 0.795 133 A CB -0.619 18.379 19.000 -0.003 0.000 1.077 133 A HN 0.562 nan 8.150 nan 0.000 0.407 134 K N 0.064 120.454 120.400 -0.017 0.000 2.393 134 K HA 0.757 5.077 4.320 -0.001 0.000 0.241 134 K C 0.400 176.981 176.600 -0.032 0.000 1.055 134 K CA -0.524 55.749 56.287 -0.023 0.000 0.951 134 K CB 0.429 32.922 32.500 -0.012 0.000 1.285 134 K HN 0.622 nan 8.250 nan 0.000 0.500 135 R N -1.669 118.811 120.500 -0.034 0.000 3.951 135 R HA -0.103 4.236 4.340 -0.001 0.000 0.352 135 R C -2.428 173.837 176.300 -0.058 0.000 1.178 135 R CA 0.171 56.251 56.100 -0.034 0.000 0.949 135 R CB -3.225 27.064 30.300 -0.019 0.000 1.452 135 R HN 0.598 nan 8.270 nan 0.000 0.540 136 P HA -0.156 nan 4.420 nan 0.000 0.265 136 P C 1.164 178.319 177.300 -0.243 0.000 1.167 136 P CA 0.675 63.660 63.100 -0.191 0.000 0.760 136 P CB -0.001 31.507 31.700 -0.319 0.000 0.783 137 F N 0.618 120.573 119.950 0.008 0.000 2.178 137 F HA -0.273 4.254 4.527 -0.001 0.000 0.299 137 F C 0.764 176.602 175.800 0.064 0.000 1.045 137 F CA 1.015 59.031 58.000 0.027 0.000 1.307 137 F CB -1.291 37.712 39.000 0.005 0.000 1.060 137 F HN 0.183 nan 8.300 nan 0.000 0.506 138 D N 1.106 121.318 120.400 -0.314 0.000 2.348 138 D HA 0.156 4.796 4.640 -0.001 0.000 0.253 138 D C 0.824 177.126 176.300 0.004 0.000 1.161 138 D CA 0.183 54.151 54.000 -0.053 0.000 0.876 138 D CB 1.431 42.120 40.800 -0.186 0.000 1.160 138 D HN 0.278 nan 8.370 nan 0.000 0.459 139 K N 2.338 122.791 120.400 0.088 0.000 2.473 139 K HA 0.028 4.348 4.320 -0.001 0.000 0.183 139 K C 0.797 177.465 176.600 0.112 0.000 1.854 139 K CA 0.050 56.383 56.287 0.075 0.000 1.084 139 K CB 0.203 32.747 32.500 0.073 0.000 1.684 139 K HN 0.413 nan 8.250 nan 0.000 0.565 140 K N -0.432 120.073 120.400 0.174 0.000 8.623 140 K HA -0.236 4.083 4.320 -0.001 0.000 0.494 140 K C -0.383 176.375 176.600 0.263 0.000 0.366 140 K CA 2.025 58.462 56.287 0.250 0.000 1.954 140 K CB -2.249 30.352 32.500 0.168 0.000 0.699 140 K HN 0.472 nan 8.250 nan 0.000 0.968 141 S N 2.707 118.511 115.700 0.173 0.000 2.573 141 S HA 0.081 4.550 4.470 -0.001 0.000 0.297 141 S C 0.166 174.841 174.600 0.125 0.000 1.280 141 S CA -0.119 58.172 58.200 0.151 0.000 1.061 141 S CB 0.514 63.774 63.200 0.099 0.000 0.812 141 S HN 0.292 nan 8.310 nan 0.000 0.500 142 N N 1.501 120.274 118.700 0.121 0.000 2.469 142 N HA 0.404 5.143 4.740 -0.001 0.000 0.286 142 N C 0.604 176.148 175.510 0.056 0.000 1.275 142 N CA -0.751 52.332 53.050 0.055 0.000 0.790 142 N CB 1.944 40.434 38.487 0.005 0.000 1.446 142 N HN 0.574 nan 8.380 nan 0.000 0.501 143 S N 0.451 116.164 115.700 0.022 0.000 2.455 143 S HA 0.182 4.651 4.470 -0.001 0.000 0.199 143 S C 0.850 175.482 174.600 0.053 0.000 1.169 143 S CA 1.313 59.526 58.200 0.023 0.000 1.503 143 S CB -0.078 63.117 63.200 -0.007 0.000 0.960 143 S HN 0.784 nan 8.310 nan 0.000 0.385 144 A N -0.918 121.934 122.820 0.054 0.000 3.972 144 A HA 0.640 4.960 4.320 -0.001 0.000 0.166 144 A C -0.067 177.593 177.584 0.125 0.000 0.722 144 A CA -0.095 51.996 52.037 0.090 0.000 1.045 144 A CB -0.911 18.125 19.000 0.059 0.000 1.949 144 A HN 0.803 nan 8.150 nan 0.000 0.853 145 L N -1.781 119.507 121.223 0.109 0.000 4.244 145 L HA -0.223 4.117 4.340 -0.001 0.000 0.449 145 L C 0.215 177.253 176.870 0.280 0.000 1.095 145 L CA 2.329 57.242 54.840 0.121 0.000 0.983 145 L CB -1.233 40.849 42.059 0.039 0.000 1.840 145 L HN 0.827 nan 8.230 nan 0.000 1.085 146 F N -2.464 117.501 119.950 0.026 0.000 2.897 146 F HA 0.225 4.751 4.527 -0.001 0.000 0.377 146 F C 1.887 177.767 175.800 0.133 0.000 0.917 146 F CA 0.522 58.545 58.000 0.038 0.000 1.079 146 F CB -0.066 38.890 39.000 -0.073 0.000 1.068 146 F HN 0.002 nan 8.300 nan 0.000 0.581 147 R N 0.943 121.561 120.500 0.197 0.000 2.097 147 R HA -0.092 4.248 4.340 -0.001 0.000 0.236 147 R C 2.240 178.616 176.300 0.126 0.000 1.135 147 R CA 1.501 57.703 56.100 0.171 0.000 0.934 147 R CB -1.153 29.226 30.300 0.131 0.000 0.846 147 R HN 0.200 nan 8.270 nan 0.000 0.431 148 A N 1.284 124.170 122.820 0.110 0.000 2.261 148 A HA -0.273 4.046 4.320 -0.001 0.000 0.271 148 A C 1.323 178.940 177.584 0.055 0.000 2.785 148 A CA 2.388 54.480 52.037 0.091 0.000 1.014 148 A CB -1.557 17.529 19.000 0.143 0.000 0.645 148 A HN 0.193 nan 8.150 nan 0.000 0.482 149 V N -0.138 119.801 119.914 0.042 0.000 2.304 149 V HA 0.435 4.555 4.120 -0.001 0.000 0.239 149 V C 1.303 177.393 176.094 -0.006 0.000 1.201 149 V CA 1.180 63.483 62.300 0.004 0.000 1.254 149 V CB -0.886 30.937 31.823 -0.001 0.000 1.335 149 V HN 1.344 nan 8.190 nan 0.000 0.491 150 G N 3.355 112.129 108.800 -0.043 0.000 3.897 150 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.207 150 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.207 150 G C 0.496 175.372 174.900 -0.041 0.000 0.872 150 G CA -0.061 44.981 45.100 -0.096 0.000 0.872 150 G HN 0.541 nan 8.290 nan 0.000 0.442 151 E N 0.134 120.332 120.200 -0.002 0.000 2.526 151 E HA 0.374 4.723 4.350 -0.001 0.000 0.208 151 E C 1.628 178.224 176.600 -0.006 0.000 0.997 151 E CA 0.240 56.642 56.400 0.003 0.000 0.961 151 E CB 1.078 30.794 29.700 0.026 0.000 1.030 151 E HN 0.872 nan 8.360 nan 0.000 0.483 152 G N 2.007 110.797 108.800 -0.016 0.000 2.179 152 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.260 152 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.260 152 G C 0.871 175.765 174.900 -0.010 0.000 0.977 152 G CA 0.466 45.554 45.100 -0.019 0.000 0.641 152 G HN 0.216 nan 8.290 nan 0.000 0.533 153 N N 0.611 119.313 118.700 0.003 0.000 2.396 153 N HA 0.307 5.047 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 1.504 54.560 53.050 0.009 0.000 0.893 153 N CB 0.163 38.668 38.487 0.030 0.000 0.967 153 N HN 1.099 nan 8.380 nan 0.000 0.440 154 A N -0.204 122.611 122.820 -0.008 0.000 2.529 154 A HA 0.642 4.961 4.320 -0.001 0.000 0.296 154 A C -1.516 176.039 177.584 -0.049 0.000 1.205 154 A CA -0.584 51.422 52.037 -0.050 0.000 0.671 154 A CB 1.523 20.505 19.000 -0.029 0.000 1.301 154 A HN 0.018 nan 8.150 nan 0.000 0.450 155 Q N -0.452 119.297 119.800 -0.086 0.000 2.289 155 Q HA 0.573 4.912 4.340 -0.001 0.000 0.270 155 Q C -1.878 174.101 176.000 -0.036 0.000 1.038 155 Q CA -0.639 55.129 55.803 -0.058 0.000 0.812 155 Q CB 2.667 31.361 28.738 -0.074 0.000 1.300 155 Q HN 0.584 nan 8.270 nan 0.000 0.427 156 L N 2.152 123.382 121.223 0.012 0.000 2.331 156 L HA 0.705 5.045 4.340 -0.001 0.000 0.275 156 L C -1.152 175.709 176.870 -0.016 0.000 1.022 156 L CA -0.583 54.298 54.840 0.068 0.000 0.812 156 L CB 2.040 44.191 42.059 0.154 0.000 1.257 156 L HN 0.478 nan 8.230 nan 0.000 0.435 157 V N 2.195 122.093 119.914 -0.026 0.000 3.040 157 V HA 0.942 5.061 4.120 -0.001 0.000 0.312 157 V C -0.584 175.518 176.094 0.013 0.000 1.115 157 V CA -0.616 61.593 62.300 -0.153 0.000 0.998 157 V CB 1.698 33.262 31.823 -0.432 0.000 1.042 157 V HN 0.918 nan 8.190 nan 0.000 0.433 158 A N 2.981 125.825 122.820 0.040 0.000 2.413 158 A HA 1.010 5.329 4.320 -0.001 0.000 0.307 158 A C -1.159 176.490 177.584 0.109 0.000 1.087 158 A CA -0.576 51.554 52.037 0.155 0.000 0.750 158 A CB 1.471 20.621 19.000 0.250 0.000 1.296 158 A HN 0.741 nan 8.150 nan 0.000 0.423 159 I N -0.252 120.284 120.570 -0.058 0.000 3.004 159 I HA 0.534 4.704 4.170 -0.001 0.000 0.305 159 I C -1.779 174.123 176.117 -0.358 0.000 1.312 159 I CA -0.332 60.985 61.300 0.029 0.000 0.992 159 I CB 2.530 40.642 38.000 0.188 0.000 1.282 159 I HN 0.571 nan 8.210 nan 0.000 0.449 160 F N 1.419 121.545 119.950 0.295 0.000 2.574 160 F HA 0.677 5.204 4.527 -0.001 0.000 0.313 160 F C 0.542 176.527 175.800 0.308 0.000 1.130 160 F CA -0.592 57.576 58.000 0.279 0.000 0.936 160 F CB 1.904 41.019 39.000 0.192 0.000 1.219 160 F HN 0.436 nan 8.300 nan 0.000 0.445 161 G N 0.322 109.359 108.800 0.396 0.000 2.583 161 G HA2 0.737 4.696 3.960 -0.001 0.000 0.280 161 G HA3 0.737 4.696 3.960 -0.001 0.000 0.280 161 G C -0.646 174.437 174.900 0.306 0.000 1.376 161 G CA -0.699 44.626 45.100 0.375 0.000 1.043 161 G HN 1.013 nan 8.290 nan 0.000 0.538 162 G N -2.703 106.252 108.800 0.259 0.000 2.733 162 G HA2 0.454 4.413 3.960 -0.001 0.000 0.297 162 G HA3 0.454 4.413 3.960 -0.001 0.000 0.297 162 G C -0.312 174.636 174.900 0.079 0.000 1.452 162 G CA -0.203 44.992 45.100 0.157 0.000 0.940 162 G HN 0.702 nan 8.290 nan 0.000 0.547 163 Q N -1.554 118.215 119.800 -0.053 0.000 2.450 163 Q HA -0.167 4.172 4.340 -0.001 0.000 0.255 163 Q C 1.117 177.099 176.000 -0.030 0.000 1.003 163 Q CA 1.201 56.954 55.803 -0.083 0.000 1.097 163 Q CB -2.115 26.531 28.738 -0.154 0.000 1.544 163 Q HN 1.728 nan 8.270 nan 0.000 0.531 164 G N 1.266 110.049 108.800 -0.028 0.000 2.825 164 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.241 164 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.241 164 G C 0.529 175.420 174.900 -0.015 0.000 1.239 164 G CA -0.318 44.775 45.100 -0.011 0.000 0.859 164 G HN 0.326 nan 8.290 nan 0.000 0.598 165 N N 0.868 119.555 118.700 -0.021 0.000 2.874 165 N HA 0.041 4.780 4.740 -0.001 0.000 0.316 165 N C -0.278 175.236 175.510 0.007 0.000 1.205 165 N CA 0.760 53.805 53.050 -0.008 0.000 1.180 165 N CB -0.087 38.382 38.487 -0.031 0.000 1.450 165 N HN 0.292 nan 8.380 nan 0.000 0.528 166 T N 0.117 114.695 114.554 0.041 0.000 3.172 166 T HA 0.099 4.449 4.350 -0.001 0.000 0.320 166 T C -0.228 174.581 174.700 0.181 0.000 1.085 166 T CA -0.898 61.249 62.100 0.078 0.000 1.052 166 T CB 1.640 70.540 68.868 0.054 0.000 1.107 166 T HN 0.274 nan 8.240 nan 0.000 0.458 167 D N 1.576 122.069 120.400 0.156 0.000 2.722 167 D HA 0.151 4.790 4.640 -0.001 0.000 0.239 167 D C -0.082 176.319 176.300 0.168 0.000 1.249 167 D CA -0.265 53.830 54.000 0.159 0.000 0.830 167 D CB 0.650 41.495 40.800 0.076 0.000 1.025 167 D HN 0.418 nan 8.370 nan 0.000 0.486 168 D N -0.471 120.093 120.400 0.274 0.000 2.932 168 D HA -0.038 4.601 4.640 -0.001 0.000 0.294 168 D C 0.635 177.191 176.300 0.425 0.000 1.119 168 D CA 0.044 54.197 54.000 0.255 0.000 0.980 168 D CB 0.302 41.208 40.800 0.176 0.000 1.361 168 D HN -0.010 nan 8.370 nan 0.000 0.466 169 Y N 0.372 120.748 120.300 0.127 0.000 2.819 169 Y HA -0.413 4.137 4.550 -0.001 0.000 0.471 169 Y C 1.659 177.691 175.900 0.220 0.000 1.144 169 Y CA 0.611 58.814 58.100 0.173 0.000 2.720 169 Y CB -2.110 36.465 38.460 0.191 0.000 1.169 169 Y HN 0.055 nan 8.280 nan 0.000 0.619 170 F N 1.530 121.690 119.950 0.349 0.000 2.167 170 F HA -0.290 4.237 4.527 -0.001 0.000 0.301 170 F C 2.119 178.030 175.800 0.185 0.000 1.066 170 F CA 2.421 60.566 58.000 0.241 0.000 1.285 170 F CB -0.227 38.898 39.000 0.208 0.000 1.032 170 F HN 0.341 nan 8.300 nan 0.000 0.495 171 E N -0.175 120.178 120.200 0.255 0.000 2.510 171 E HA -0.197 4.153 4.350 -0.001 0.000 0.202 171 E C 1.781 178.420 176.600 0.066 0.000 1.072 171 E CA 1.006 57.484 56.400 0.131 0.000 0.883 171 E CB -0.101 29.686 29.700 0.145 0.000 0.818 171 E HN 0.574 nan 8.360 nan 0.000 0.548 172 E N 0.577 120.823 120.200 0.077 0.000 2.152 172 E HA 0.048 4.398 4.350 -0.001 0.000 0.195 172 E C 1.963 178.594 176.600 0.052 0.000 0.934 172 E CA 0.044 56.498 56.400 0.091 0.000 0.869 172 E CB -0.333 29.450 29.700 0.138 0.000 0.842 172 E HN 0.178 nan 8.360 nan 0.000 0.472 173 L N 0.676 121.893 121.223 -0.011 0.000 2.012 173 L HA -0.151 4.189 4.340 -0.001 0.000 0.210 173 L C 2.683 179.456 176.870 -0.160 0.000 1.073 173 L CA 1.729 56.523 54.840 -0.076 0.000 0.748 173 L CB -0.219 41.778 42.059 -0.103 0.000 0.891 173 L HN 0.138 nan 8.230 nan 0.000 0.431 174 R N -0.188 120.080 120.500 -0.388 0.000 2.070 174 R HA -0.171 4.168 4.340 -0.001 0.000 0.233 174 R C 1.101 177.368 176.300 -0.055 0.000 1.137 174 R CA 1.822 57.767 56.100 -0.259 0.000 0.945 174 R CB -0.222 29.875 30.300 -0.338 0.000 0.845 174 R HN 0.414 nan 8.270 nan 0.000 0.430 175 D N 0.572 120.942 120.400 -0.050 0.000 2.396 175 D HA -0.045 4.594 4.640 -0.001 0.000 0.255 175 D C 0.853 177.167 176.300 0.023 0.000 1.224 175 D CA 0.354 54.344 54.000 -0.016 0.000 0.894 175 D CB 0.648 41.450 40.800 0.004 0.000 0.939 175 D HN 0.193 nan 8.370 nan 0.000 0.506 176 L N -1.314 119.939 121.223 0.051 0.000 2.678 176 L HA 0.090 4.430 4.340 -0.001 0.000 0.211 176 L C 1.595 178.561 176.870 0.160 0.000 1.043 176 L CA 0.193 55.117 54.840 0.141 0.000 0.881 176 L CB -0.466 41.652 42.059 0.099 0.000 1.361 176 L HN -0.130 nan 8.230 nan 0.000 0.484 177 Y N 1.211 121.488 120.300 -0.037 0.000 2.070 177 Y HA -0.263 4.287 4.550 -0.001 0.000 0.279 177 Y C 2.740 178.550 175.900 -0.149 0.000 1.134 177 Y CA 2.615 60.678 58.100 -0.061 0.000 1.113 177 Y CB -0.784 37.625 38.460 -0.085 0.000 0.981 177 Y HN 0.455 nan 8.280 nan 0.000 0.487 178 Q N 0.253 119.845 119.800 -0.346 0.000 2.096 178 Q HA -0.193 4.146 4.340 -0.001 0.000 0.208 178 Q C 2.035 177.791 176.000 -0.407 0.000 0.993 178 Q CA 3.259 58.757 55.803 -0.507 0.000 0.862 178 Q CB -0.918 27.676 28.738 -0.240 0.000 0.915 178 Q HN 0.586 nan 8.270 nan 0.000 0.416 179 T N -0.409 113.976 114.554 -0.282 0.000 2.570 179 T HA -0.210 4.139 4.350 -0.001 0.000 0.266 179 T C -0.096 174.329 174.700 -0.458 0.000 1.071 179 T CA 2.048 63.891 62.100 -0.429 0.000 1.172 179 T CB -0.440 68.085 68.868 -0.572 0.000 0.864 179 T HN 0.404 nan 8.240 nan 0.000 0.421 180 Y N 0.887 121.146 120.300 -0.069 0.000 2.712 180 Y HA 0.426 4.976 4.550 -0.001 0.000 0.328 180 Y C 1.085 176.955 175.900 -0.050 0.000 0.995 180 Y CA -1.134 56.950 58.100 -0.026 0.000 1.283 180 Y CB 0.040 38.509 38.460 0.016 0.000 1.092 180 Y HN 0.157 nan 8.280 nan 0.000 0.519 181 H N 1.223 120.282 119.070 -0.018 0.000 2.289 181 H HA -0.173 4.383 4.556 -0.001 0.000 0.296 181 H C 1.775 177.130 175.328 0.046 0.000 1.091 181 H CA 2.370 58.367 56.048 -0.085 0.000 1.274 181 H CB 0.060 29.765 29.762 -0.095 0.000 1.364 181 H HN 0.509 nan 8.280 nan 0.000 0.490 182 V N 1.692 121.732 119.914 0.211 0.000 2.232 182 V HA -0.284 3.835 4.120 -0.001 0.000 0.241 182 V C 2.436 178.564 176.094 0.057 0.000 1.036 182 V CA 1.920 64.293 62.300 0.122 0.000 0.993 182 V CB -0.981 30.902 31.823 0.100 0.000 0.639 182 V HN 0.335 nan 8.190 nan 0.000 0.459 183 L N 0.348 121.572 121.223 0.002 0.000 4.139 183 L HA -0.052 4.287 4.340 -0.001 0.000 0.275 183 L C 1.057 177.872 176.870 -0.092 0.000 1.255 183 L CA 0.694 55.452 54.840 -0.136 0.000 0.877 183 L CB -0.840 41.079 42.059 -0.233 0.000 1.297 183 L HN 0.386 nan 8.230 nan 0.000 0.416 184 V N -1.992 117.932 119.914 0.017 0.000 5.101 184 V HA 0.000 4.120 4.120 -0.001 0.000 0.610 184 V C 1.867 178.056 176.094 0.160 0.000 2.130 184 V CA 0.684 63.031 62.300 0.078 0.000 2.793 184 V CB -0.102 31.772 31.823 0.085 0.000 1.016 184 V HN 0.345 nan 8.190 nan 0.000 0.439 185 G N 0.468 109.385 108.800 0.195 0.000 2.517 185 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.222 185 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.222 185 G C 0.767 175.772 174.900 0.175 0.000 1.109 185 G CA 1.631 46.877 45.100 0.244 0.000 0.746 185 G HN 0.587 nan 8.290 nan 0.000 0.576 186 D N 0.187 120.682 120.400 0.159 0.000 2.003 186 D HA -0.064 4.576 4.640 -0.001 0.000 0.251 186 D C 2.603 179.041 176.300 0.230 0.000 1.063 186 D CA 0.350 54.474 54.000 0.207 0.000 0.968 186 D CB -0.771 40.182 40.800 0.254 0.000 1.349 186 D HN 0.082 nan 8.370 nan 0.000 0.514 187 L N 0.315 121.719 121.223 0.302 0.000 2.149 187 L HA -0.278 4.062 4.340 -0.001 0.000 0.223 187 L C 2.188 179.174 176.870 0.193 0.000 1.089 187 L CA 0.883 55.907 54.840 0.307 0.000 0.800 187 L CB -0.423 41.806 42.059 0.283 0.000 0.897 187 L HN 0.251 nan 8.230 nan 0.000 0.443 188 I N -0.109 120.543 120.570 0.137 0.000 2.040 188 I HA -0.319 3.851 4.170 -0.001 0.000 0.224 188 I C 2.480 178.614 176.117 0.029 0.000 1.038 188 I CA 1.482 62.813 61.300 0.050 0.000 1.330 188 I CB -1.297 36.714 38.000 0.019 0.000 1.076 188 I HN 0.203 nan 8.210 nan 0.000 0.388 189 K N 0.861 121.285 120.400 0.040 0.000 2.148 189 K HA -0.285 4.035 4.320 -0.001 0.000 0.213 189 K C 2.078 178.704 176.600 0.044 0.000 1.050 189 K CA 1.816 58.122 56.287 0.032 0.000 0.932 189 K CB -0.859 31.684 32.500 0.071 0.000 0.717 189 K HN 0.211 nan 8.250 nan 0.000 0.462 190 F N 1.469 121.339 119.950 -0.133 0.000 1.988 190 F HA -0.217 4.309 4.527 -0.001 0.000 0.296 190 F C 2.427 178.115 175.800 -0.187 0.000 1.178 190 F CA 2.456 60.312 58.000 -0.241 0.000 1.174 190 F CB -1.405 37.348 39.000 -0.413 0.000 0.963 190 F HN 0.265 nan 8.300 nan 0.000 0.489 191 S N 1.057 116.594 115.700 -0.271 0.000 2.428 191 S HA -0.303 4.167 4.470 -0.001 0.000 0.240 191 S C 2.148 176.602 174.600 -0.244 0.000 1.036 191 S CA 1.289 59.288 58.200 -0.334 0.000 1.009 191 S CB -1.655 61.471 63.200 -0.123 0.000 0.803 191 S HN 0.634 nan 8.310 nan 0.000 0.486 192 A N 2.769 125.491 122.820 -0.163 0.000 1.827 192 A HA -0.147 4.172 4.320 -0.001 0.000 0.215 192 A C 2.260 179.736 177.584 -0.179 0.000 1.212 192 A CA 1.597 53.545 52.037 -0.148 0.000 0.624 192 A CB -1.008 17.924 19.000 -0.113 0.000 0.853 192 A HN 0.491 nan 8.150 nan 0.000 0.450 193 E N -0.492 119.610 120.200 -0.163 0.000 2.082 193 E HA -0.252 4.097 4.350 -0.001 0.000 0.215 193 E C 2.086 178.547 176.600 -0.232 0.000 1.048 193 E CA 2.005 58.307 56.400 -0.164 0.000 0.869 193 E CB -1.418 28.207 29.700 -0.125 0.000 0.773 193 E HN 0.639 nan 8.360 nan 0.000 0.466 194 T N 2.600 116.942 114.554 -0.353 0.000 2.397 194 T HA -0.254 4.095 4.350 -0.001 0.000 0.236 194 T C 2.143 176.649 174.700 -0.324 0.000 1.393 194 T CA 2.260 64.112 62.100 -0.413 0.000 1.148 194 T CB -0.814 67.699 68.868 -0.591 0.000 0.853 194 T HN 0.137 nan 8.240 nan 0.000 0.419 195 L N 0.777 121.836 121.223 -0.272 0.000 2.043 195 L HA -0.150 4.190 4.340 -0.001 0.000 0.212 195 L C 2.854 179.597 176.870 -0.211 0.000 1.075 195 L CA 1.513 56.224 54.840 -0.214 0.000 0.752 195 L CB -0.721 41.308 42.059 -0.050 0.000 0.891 195 L HN 0.340 nan 8.230 nan 0.000 0.432 196 S N -0.951 114.636 115.700 -0.188 0.000 2.462 196 S HA -0.184 4.285 4.470 -0.001 0.000 0.243 196 S C 1.789 176.285 174.600 -0.173 0.000 1.003 196 S CA 1.295 59.395 58.200 -0.167 0.000 0.970 196 S CB -0.087 63.023 63.200 -0.149 0.000 0.762 196 S HN 0.406 nan 8.310 nan 0.000 0.510 197 E N 0.556 120.631 120.200 -0.209 0.000 2.175 197 E HA 0.157 4.507 4.350 -0.001 0.000 0.195 197 E C 1.864 178.318 176.600 -0.243 0.000 0.934 197 E CA 0.335 56.617 56.400 -0.196 0.000 0.870 197 E CB -0.394 29.195 29.700 -0.186 0.000 0.838 197 E HN 0.502 nan 8.360 nan 0.000 0.474 198 L N 1.883 122.877 121.223 -0.382 0.000 2.661 198 L HA -0.107 4.233 4.340 -0.001 0.000 0.236 198 L C 2.279 178.892 176.870 -0.430 0.000 1.176 198 L CA 0.517 55.009 54.840 -0.581 0.000 0.836 198 L CB -0.588 40.715 42.059 -1.261 0.000 0.960 198 L HN 0.162 nan 8.230 nan 0.000 0.455 199 I N 0.560 120.977 120.570 -0.255 0.000 2.956 199 I HA -0.166 4.004 4.170 -0.001 0.000 0.233 199 I C 2.785 178.825 176.117 -0.128 0.000 1.054 199 I CA 0.507 61.698 61.300 -0.182 0.000 1.456 199 I CB -0.057 37.808 38.000 -0.225 0.000 1.297 199 I HN 0.224 nan 8.210 nan 0.000 0.448 200 R N 0.343 120.775 120.500 -0.114 0.000 2.226 200 R HA -0.157 4.183 4.340 -0.001 0.000 0.246 200 R C 1.577 177.844 176.300 -0.056 0.000 1.161 200 R CA 2.121 58.176 56.100 -0.076 0.000 0.997 200 R CB -1.316 28.943 30.300 -0.069 0.000 0.870 200 R HN 0.356 nan 8.270 nan 0.000 0.465 201 T N 0.115 114.631 114.554 -0.065 0.000 2.942 201 T HA -0.017 4.333 4.350 -0.001 0.000 0.265 201 T C 1.103 175.815 174.700 0.020 0.000 1.062 201 T CA 1.522 63.604 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 0.353 nan 8.240 nan 0.000 0.468 202 T N 2.673 117.240 114.554 0.022 0.000 3.273 202 T HA 0.365 4.714 4.350 -0.001 0.000 0.254 202 T C 0.467 175.174 174.700 0.010 0.000 1.002 202 T CA -0.257 61.883 62.100 0.068 0.000 0.913 202 T CB -0.670 68.217 68.868 0.032 0.000 1.056 202 T HN 0.286 nan 8.240 nan 0.000 0.576 203 L N 2.717 123.938 121.223 -0.003 0.000 3.458 203 L HA -0.244 4.096 4.340 -0.001 0.000 0.379 203 L C 1.059 177.928 176.870 -0.003 0.000 0.997 203 L CA 0.829 55.663 54.840 -0.011 0.000 0.823 203 L CB -0.085 41.973 42.059 -0.002 0.000 1.312 203 L HN 0.473 nan 8.230 nan 0.000 0.660 204 D N 0.845 121.236 120.400 -0.015 0.000 4.400 204 D HA -0.112 4.528 4.640 -0.001 0.000 0.125 204 D C 1.240 177.532 176.300 -0.014 0.000 0.397 204 D CA 0.705 54.704 54.000 -0.002 0.000 0.588 204 D CB -0.505 40.302 40.800 0.011 0.000 1.635 204 D HN 0.487 nan 8.370 nan 0.000 0.088 205 A N 1.024 123.807 122.820 -0.060 0.000 2.209 205 A HA 0.003 4.322 4.320 -0.001 0.000 0.212 205 A C 1.642 179.161 177.584 -0.108 0.000 1.158 205 A CA 1.262 53.229 52.037 -0.117 0.000 0.742 205 A CB -0.309 18.548 19.000 -0.238 0.000 0.790 205 A HN 0.350 nan 8.150 nan 0.000 0.472 206 E N -0.074 120.090 120.200 -0.060 0.000 2.358 206 E HA -0.034 4.315 4.350 -0.001 0.000 0.195 206 E C 1.206 177.833 176.600 0.045 0.000 1.010 206 E CA 0.639 57.024 56.400 -0.026 0.000 0.856 206 E CB 0.031 29.714 29.700 -0.029 0.000 0.795 206 E HN 0.494 nan 8.360 nan 0.000 0.504 207 K N 0.317 120.748 120.400 0.052 0.000 2.410 207 K HA 0.126 4.446 4.320 -0.001 0.000 0.200 207 K C 0.568 177.219 176.600 0.084 0.000 1.023 207 K CA 0.069 56.394 56.287 0.063 0.000 1.149 207 K CB 1.002 33.532 32.500 0.051 0.000 0.859 207 K HN -0.024 nan 8.250 nan 0.000 0.514 208 V N 0.017 120.014 119.914 0.139 0.000 3.502 208 V HA 0.108 4.228 4.120 -0.001 0.000 0.288 208 V C -0.132 175.946 176.094 -0.028 0.000 1.461 208 V CA 0.235 62.553 62.300 0.029 0.000 1.029 208 V CB 0.190 32.017 31.823 0.007 0.000 0.843 208 V HN 0.132 nan 8.190 nan 0.000 0.438 209 F N 1.076 120.946 119.950 -0.133 0.000 2.928 209 F HA 0.229 4.756 4.527 -0.001 0.000 0.337 209 F C 2.041 177.826 175.800 -0.025 0.000 1.259 209 F CA -0.287 57.662 58.000 -0.084 0.000 1.267 209 F CB -0.662 38.292 39.000 -0.075 0.000 0.986 209 F HN 0.146 nan 8.300 nan 0.000 0.507 210 T N -1.815 112.787 114.554 0.080 0.000 2.668 210 T HA -0.353 3.996 4.350 -0.001 0.000 0.265 210 T C 1.008 175.741 174.700 0.056 0.000 1.041 210 T CA 1.574 63.699 62.100 0.041 0.000 1.160 210 T CB -0.929 67.926 68.868 -0.021 0.000 0.857 210 T HN 0.562 nan 8.240 nan 0.000 0.455 211 Q N 2.657 122.493 119.800 0.060 0.000 2.348 211 Q HA 0.481 4.821 4.340 -0.001 0.000 0.251 211 Q C 0.508 176.651 176.000 0.238 0.000 1.113 211 Q CA -0.501 55.366 55.803 0.107 0.000 0.902 211 Q CB 0.172 28.949 28.738 0.065 0.000 1.333 211 Q HN 0.456 nan 8.270 nan 0.000 0.457 212 G N 3.120 112.046 108.800 0.209 0.000 2.093 212 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.257 212 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.257 212 G C 0.134 175.178 174.900 0.239 0.000 1.004 212 G CA -0.450 44.767 45.100 0.196 0.000 0.949 212 G HN 0.756 nan 8.290 nan 0.000 0.400 213 L N 2.880 124.163 121.223 0.100 0.000 2.855 213 L HA 0.094 4.433 4.340 -0.001 0.000 0.257 213 L C 1.484 178.036 176.870 -0.530 0.000 1.206 213 L CA -0.289 54.465 54.840 -0.142 0.000 1.042 213 L CB -0.648 41.478 42.059 0.111 0.000 1.321 213 L HN 0.586 nan 8.230 nan 0.000 0.417 214 N N 0.827 119.220 118.700 -0.512 0.000 3.117 214 N HA -0.070 4.669 4.740 -0.001 0.000 0.323 214 N C 1.308 176.162 175.510 -1.093 0.000 1.245 214 N CA 0.133 52.866 53.050 -0.530 0.000 1.191 214 N CB -0.186 38.184 38.487 -0.196 0.000 1.451 214 N HN 0.541 nan 8.380 nan 0.000 0.555 215 I N -0.076 119.794 120.570 -1.166 0.000 2.874 215 I HA -0.308 3.861 4.170 -0.001 0.000 0.271 215 I C 2.070 177.962 176.117 -0.376 0.000 1.263 215 I CA 0.524 61.249 61.300 -0.958 0.000 1.443 215 I CB -0.207 37.542 38.000 -0.417 0.000 1.100 215 I HN 0.430 nan 8.210 nan 0.000 0.480 216 L N 0.995 122.016 121.223 -0.336 0.000 1.868 216 L HA -0.199 4.141 4.340 -0.001 0.000 0.222 216 L C 2.465 179.345 176.870 0.017 0.000 1.108 216 L CA 1.391 56.150 54.840 -0.135 0.000 0.822 216 L CB -0.351 41.645 42.059 -0.104 0.000 0.891 216 L HN 0.139 nan 8.230 nan 0.000 0.441 217 E N -0.464 119.783 120.200 0.079 0.000 2.233 217 E HA -0.323 4.026 4.350 -0.001 0.000 0.210 217 E C 1.708 178.529 176.600 0.369 0.000 1.046 217 E CA 1.884 58.409 56.400 0.208 0.000 0.844 217 E CB -0.355 29.469 29.700 0.207 0.000 0.741 217 E HN 0.565 nan 8.360 nan 0.000 0.465 218 W N 0.404 121.769 121.300 0.108 0.000 2.296 218 W HA -0.199 4.461 4.660 -0.001 0.000 0.282 218 W C 1.812 178.533 176.519 0.336 0.000 1.207 218 W CA 0.924 58.373 57.345 0.174 0.000 1.183 218 W CB -0.733 28.802 29.460 0.126 0.000 1.135 218 W HN 0.185 nan 8.180 nan 0.000 0.557 219 L N -1.374 120.135 121.223 0.476 0.000 2.265 219 L HA -0.002 4.338 4.340 -0.001 0.000 0.195 219 L C 2.322 179.385 176.870 0.321 0.000 1.083 219 L CA 0.688 55.742 54.840 0.357 0.000 0.798 219 L CB -1.028 41.125 42.059 0.156 0.000 0.989 219 L HN -0.181 nan 8.230 nan 0.000 0.472 220 E N 1.538 121.923 120.200 0.308 0.000 2.097 220 E HA -0.197 4.153 4.350 -0.001 0.000 0.196 220 E C 0.121 176.833 176.600 0.186 0.000 1.000 220 E CA 1.470 58.026 56.400 0.260 0.000 0.804 220 E CB -0.330 29.510 29.700 0.235 0.000 0.740 220 E HN 0.679 nan 8.360 nan 0.000 0.454 221 N N -0.390 118.418 118.700 0.180 0.000 2.725 221 N HA 0.150 4.889 4.740 -0.001 0.000 0.248 221 N C -2.518 173.069 175.510 0.129 0.000 1.402 221 N CA -1.085 52.045 53.050 0.133 0.000 0.766 221 N CB 1.268 39.820 38.487 0.108 0.000 1.223 221 N HN -0.137 nan 8.380 nan 0.000 0.515 222 P HA -0.211 nan 4.420 nan 0.000 0.234 222 P C 1.398 178.707 177.300 0.016 0.000 1.162 222 P CA 0.916 64.072 63.100 0.093 0.000 0.759 222 P CB 0.199 31.975 31.700 0.126 0.000 0.813 223 S N -0.012 115.707 115.700 0.031 0.000 2.413 223 S HA -0.242 4.228 4.470 -0.001 0.000 0.237 223 S C 1.524 176.109 174.600 -0.026 0.000 1.044 223 S CA 1.614 59.818 58.200 0.007 0.000 1.024 223 S CB -1.426 61.787 63.200 0.023 0.000 0.829 223 S HN 0.371 nan 8.310 nan 0.000 0.475 224 N N 0.164 118.842 118.700 -0.037 0.000 2.351 224 N HA 0.164 4.904 4.740 -0.001 0.000 0.254 224 N C -1.176 174.201 175.510 -0.222 0.000 1.241 224 N CA -0.145 52.857 53.050 -0.081 0.000 0.883 224 N CB 0.488 38.965 38.487 -0.017 0.000 1.202 224 N HN 0.163 nan 8.380 nan 0.000 0.512 225 T N 2.561 116.934 114.554 -0.301 0.000 2.761 225 T HA 0.110 4.460 4.350 -0.001 0.000 0.287 225 T C -2.446 171.858 174.700 -0.659 0.000 0.931 225 T CA -0.532 61.177 62.100 -0.652 0.000 1.164 225 T CB 0.872 69.487 68.868 -0.421 0.000 0.876 225 T HN 0.128 nan 8.240 nan 0.000 0.534 226 P HA -0.032 nan 4.420 nan 0.000 0.235 226 P C 0.389 177.427 177.300 -0.437 0.000 1.080 226 P CA 0.626 63.380 63.100 -0.577 0.000 1.096 226 P CB -0.092 31.246 31.700 -0.604 0.000 1.085 227 D N 1.328 121.556 120.400 -0.287 0.000 3.565 227 D HA -0.250 4.390 4.640 -0.001 0.000 0.257 227 D C 0.847 177.034 176.300 -0.189 0.000 1.938 227 D CA 0.868 54.752 54.000 -0.194 0.000 1.130 227 D CB -0.311 40.408 40.800 -0.135 0.000 0.859 227 D HN 0.369 nan 8.370 nan 0.000 1.039 228 K N -0.145 120.182 120.400 -0.121 0.000 2.598 228 K HA 0.043 4.362 4.320 -0.001 0.000 0.214 228 K C 0.928 177.476 176.600 -0.088 0.000 1.575 228 K CA 0.159 56.390 56.287 -0.094 0.000 1.042 228 K CB 0.411 32.879 32.500 -0.054 0.000 1.338 228 K HN 0.230 nan 8.250 nan 0.000 0.590 229 D N 0.126 120.494 120.400 -0.054 0.000 1.989 229 D HA -0.116 4.524 4.640 -0.001 0.000 0.259 229 D C 1.194 177.488 176.300 -0.010 0.000 0.992 229 D CA 1.301 55.301 54.000 -0.000 0.000 0.912 229 D CB -0.172 40.683 40.800 0.091 0.000 1.083 229 D HN 0.068 nan 8.370 nan 0.000 0.441 230 Y N 0.109 120.310 120.300 -0.164 0.000 2.425 230 Y HA -0.104 4.446 4.550 -0.001 0.000 0.285 230 Y C 1.941 177.711 175.900 -0.216 0.000 1.170 230 Y CA 0.544 58.539 58.100 -0.176 0.000 1.304 230 Y CB -0.691 37.675 38.460 -0.156 0.000 0.972 230 Y HN 0.149 nan 8.280 nan 0.000 0.558 231 L N -0.697 120.448 121.223 -0.129 0.000 2.450 231 L HA -0.121 4.219 4.340 -0.001 0.000 0.224 231 L C 1.766 178.467 176.870 -0.283 0.000 1.149 231 L CA 1.434 56.157 54.840 -0.195 0.000 0.816 231 L CB -0.539 41.365 42.059 -0.258 0.000 0.932 231 L HN 0.351 nan 8.230 nan 0.000 0.449 232 L N -1.011 119.974 121.223 -0.397 0.000 2.357 232 L HA 0.199 4.539 4.340 -0.001 0.000 0.211 232 L C 1.415 178.011 176.870 -0.457 0.000 1.075 232 L CA 0.460 54.878 54.840 -0.703 0.000 0.830 232 L CB -0.035 41.650 42.059 -0.623 0.000 0.996 232 L HN 0.456 nan 8.230 nan 0.000 0.467 233 S N 0.068 115.534 115.700 -0.389 0.000 2.553 233 S HA -0.189 4.281 4.470 -0.001 0.000 0.293 233 S C 1.509 176.006 174.600 -0.172 0.000 1.296 233 S CA 0.395 58.391 58.200 -0.340 0.000 1.046 233 S CB 0.224 63.096 63.200 -0.547 0.000 0.810 233 S HN 0.448 nan 8.310 nan 0.000 0.505 234 I N 2.484 123.040 120.570 -0.023 0.000 2.074 234 I HA -0.065 4.104 4.170 -0.001 0.000 0.238 234 I C -1.331 174.762 176.117 -0.039 0.000 1.037 234 I CA 0.884 62.239 61.300 0.092 0.000 1.301 234 I CB -0.926 37.209 38.000 0.224 0.000 1.016 234 I HN 0.581 nan 8.210 nan 0.000 0.400 235 P HA 0.113 nan 4.420 nan 0.000 0.271 235 P C 0.399 177.434 177.300 -0.443 0.000 1.226 235 P CA 0.739 63.605 63.100 -0.389 0.000 0.765 235 P CB 1.373 32.630 31.700 -0.737 0.000 0.835 236 I N 0.550 121.050 120.570 -0.115 0.000 3.284 236 I HA -0.316 3.854 4.170 -0.001 0.000 0.248 236 I C 1.841 178.040 176.117 0.136 0.000 0.432 236 I CA 1.455 62.772 61.300 0.028 0.000 0.968 236 I CB -1.709 36.239 38.000 -0.087 0.000 3.976 236 I HN 0.405 nan 8.210 nan 0.000 1.114 237 S N 0.545 116.323 115.700 0.130 0.000 2.362 237 S HA -0.094 4.376 4.470 -0.001 0.000 0.221 237 S C 1.842 176.652 174.600 0.351 0.000 1.032 237 S CA 1.197 59.608 58.200 0.352 0.000 0.973 237 S CB -0.578 62.844 63.200 0.370 0.000 0.849 237 S HN 0.573 nan 8.310 nan 0.000 0.465 238 C N 3.852 123.307 119.300 0.259 0.000 2.367 238 C HA -0.034 4.426 4.460 -0.001 0.000 0.276 238 C C 0.428 175.533 174.990 0.192 0.000 1.195 238 C CA 1.370 60.522 59.018 0.224 0.000 1.756 238 C CB -1.914 25.922 27.740 0.161 0.000 2.046 238 C HN 0.551 nan 8.230 nan 0.000 0.453 239 P HA -0.092 nan 4.420 nan 0.000 0.205 239 P C 1.390 178.798 177.300 0.179 0.000 1.193 239 P CA 1.549 64.759 63.100 0.183 0.000 0.929 239 P CB -0.357 31.471 31.700 0.213 0.000 0.772 240 L N -0.764 120.583 121.223 0.208 0.000 2.171 240 L HA -0.209 4.130 4.340 -0.001 0.000 0.216 240 L C 2.861 179.860 176.870 0.214 0.000 1.084 240 L CA 1.582 56.559 54.840 0.229 0.000 0.771 240 L CB -1.702 40.556 42.059 0.333 0.000 0.890 240 L HN -0.003 nan 8.230 nan 0.000 0.437 241 I N -0.690 120.002 120.570 0.202 0.000 2.058 241 I HA -0.311 3.859 4.170 -0.001 0.000 0.235 241 I C 2.449 178.664 176.117 0.164 0.000 1.053 241 I CA 1.887 63.271 61.300 0.139 0.000 1.313 241 I CB -0.647 37.401 38.000 0.080 0.000 1.039 241 I HN 0.339 nan 8.210 nan 0.000 0.396 242 G N -0.097 108.795 108.800 0.155 0.000 2.476 242 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.218 242 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.218 242 G C 1.627 176.624 174.900 0.162 0.000 1.164 242 G CA 1.205 46.392 45.100 0.145 0.000 0.768 242 G HN 0.387 nan 8.290 nan 0.000 0.560 243 V N 1.650 121.651 119.914 0.145 0.000 2.277 243 V HA -0.352 3.768 4.120 -0.001 0.000 0.255 243 V C 2.772 178.963 176.094 0.161 0.000 1.074 243 V CA 2.175 64.559 62.300 0.139 0.000 1.058 243 V CB -0.640 31.259 31.823 0.126 0.000 0.656 243 V HN 0.489 nan 8.190 nan 0.000 0.449 244 I N 0.330 121.011 120.570 0.186 0.000 2.045 244 I HA -0.362 3.807 4.170 -0.001 0.000 0.233 244 I C 2.824 179.166 176.117 0.375 0.000 1.048 244 I CA 2.325 63.756 61.300 0.218 0.000 1.313 244 I CB -0.994 37.177 38.000 0.286 0.000 1.043 244 I HN 0.383 nan 8.210 nan 0.000 0.393 245 Q N 1.178 121.276 119.800 0.498 0.000 2.173 245 Q HA -0.228 4.111 4.340 -0.001 0.000 0.208 245 Q C 2.279 178.590 176.000 0.518 0.000 0.989 245 Q CA 1.679 57.866 55.803 0.641 0.000 0.872 245 Q CB -0.659 28.481 28.738 0.670 0.000 0.909 245 Q HN 0.565 nan 8.270 nan 0.000 0.420 246 L N 0.743 122.159 121.223 0.322 0.000 1.976 246 L HA -0.175 4.164 4.340 -0.001 0.000 0.209 246 L C 2.777 179.850 176.870 0.338 0.000 1.071 246 L CA 1.036 56.057 54.840 0.302 0.000 0.746 246 L CB -0.959 41.237 42.059 0.229 0.000 0.890 246 L HN 0.306 nan 8.230 nan 0.000 0.432 247 A N -0.618 122.336 122.820 0.223 0.000 1.927 247 A HA -0.277 4.042 4.320 -0.001 0.000 0.220 247 A C 2.122 179.736 177.584 0.049 0.000 1.185 247 A CA 1.886 53.984 52.037 0.102 0.000 0.639 247 A CB -0.909 18.077 19.000 -0.023 0.000 0.820 247 A HN 0.472 nan 8.150 nan 0.000 0.451 248 H N -2.682 116.541 119.070 0.255 0.000 2.261 248 H HA -0.144 4.412 4.556 -0.001 0.000 0.301 248 H C 2.054 177.582 175.328 0.333 0.000 1.067 248 H CA 1.967 58.184 56.048 0.282 0.000 1.297 248 H CB -0.995 29.022 29.762 0.425 0.000 1.377 248 H HN 0.616 nan 8.280 nan 0.000 0.492 249 Y N 2.173 122.683 120.300 0.351 0.000 2.219 249 Y HA -0.264 4.286 4.550 -0.001 0.000 0.283 249 Y C 2.423 178.372 175.900 0.082 0.000 1.191 249 Y CA 1.055 59.203 58.100 0.081 0.000 1.199 249 Y CB -0.746 37.651 38.460 -0.106 0.000 0.972 249 Y HN -0.096 nan 8.280 nan 0.000 0.527 250 V N -1.043 118.909 119.914 0.064 0.000 2.229 250 V HA -0.319 3.801 4.120 -0.001 0.000 0.243 250 V C 2.438 178.433 176.094 -0.166 0.000 1.042 250 V CA 1.902 64.128 62.300 -0.124 0.000 1.000 250 V CB -1.142 30.687 31.823 0.010 0.000 0.637 250 V HN 0.282 nan 8.190 nan 0.000 0.446 251 V N 0.319 120.154 119.914 -0.133 0.000 2.332 251 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 251 V C 2.567 178.542 176.094 -0.198 0.000 1.055 251 V CA 2.571 64.718 62.300 -0.255 0.000 1.038 251 V CB -1.613 29.983 31.823 -0.378 0.000 0.651 251 V HN 0.670 nan 8.190 nan 0.000 0.450 252 T N 0.418 114.950 114.554 -0.036 0.000 2.737 252 T HA -0.208 4.141 4.350 -0.001 0.000 0.269 252 T C 1.864 176.473 174.700 -0.152 0.000 1.040 252 T CA 1.785 63.880 62.100 -0.009 0.000 1.142 252 T CB -0.441 68.618 68.868 0.318 0.000 0.861 252 T HN 0.639 nan 8.240 nan 0.000 0.456 253 A N 1.926 124.642 122.820 -0.173 0.000 2.028 253 A HA 0.038 4.357 4.320 -0.001 0.000 0.213 253 A C 2.128 179.637 177.584 -0.126 0.000 1.486 253 A CA 1.031 52.967 52.037 -0.169 0.000 0.597 253 A CB -0.655 18.214 19.000 -0.218 0.000 1.089 253 A HN 0.296 nan 8.150 nan 0.000 0.489 254 K N -0.783 119.530 120.400 -0.146 0.000 2.159 254 K HA -0.311 4.009 4.320 -0.001 0.000 0.217 254 K C 1.874 178.330 176.600 -0.240 0.000 1.048 254 K CA 2.121 58.196 56.287 -0.355 0.000 0.941 254 K CB -0.975 31.105 32.500 -0.700 0.000 0.738 254 K HN 0.483 nan 8.250 nan 0.000 0.469 255 L N 1.155 122.239 121.223 -0.232 0.000 1.943 255 L HA -0.175 4.165 4.340 -0.001 0.000 0.215 255 L C 2.096 178.882 176.870 -0.140 0.000 1.074 255 L CA 1.568 56.302 54.840 -0.176 0.000 0.759 255 L CB -0.847 41.052 42.059 -0.266 0.000 0.888 255 L HN 0.135 nan 8.230 nan 0.000 0.433 256 L N 1.456 122.514 121.223 -0.274 0.000 2.661 256 L HA 0.063 4.402 4.340 -0.001 0.000 0.236 256 L C 1.477 178.169 176.870 -0.298 0.000 1.176 256 L CA 1.276 55.834 54.840 -0.471 0.000 0.836 256 L CB -1.635 39.923 42.059 -0.835 0.000 0.960 256 L HN 0.725 nan 8.230 nan 0.000 0.455 257 G N -1.938 106.887 108.800 0.042 0.000 2.273 257 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.280 257 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.280 257 G C 0.410 175.654 174.900 0.574 0.000 1.047 257 G CA 0.639 45.939 45.100 0.333 0.000 0.869 257 G HN 0.425 nan 8.290 nan 0.000 0.502 258 F N -0.822 119.178 119.950 0.084 0.000 2.908 258 F HA 0.761 5.288 4.527 -0.001 0.000 0.355 258 F C 0.918 176.598 175.800 -0.200 0.000 1.367 258 F CA -0.643 57.338 58.000 -0.031 0.000 1.086 258 F CB 1.678 40.649 39.000 -0.047 0.000 1.702 258 F HN 0.126 nan 8.300 nan 0.000 0.463 259 T N 0.286 114.762 114.554 -0.129 0.000 2.894 259 T HA 0.180 4.530 4.350 -0.001 0.000 0.309 259 T C -2.297 172.176 174.700 -0.378 0.000 1.208 259 T CA -1.160 60.566 62.100 -0.624 0.000 1.016 259 T CB 1.981 70.400 68.868 -0.749 0.000 1.192 259 T HN 0.169 nan 8.240 nan 0.000 0.491 260 P HA -0.137 nan 4.420 nan 0.000 0.223 260 P C 1.309 178.575 177.300 -0.057 0.000 1.140 260 P CA 1.196 64.105 63.100 -0.319 0.000 0.783 260 P CB -0.157 31.383 31.700 -0.267 0.000 0.759 261 G N 0.387 109.122 108.800 -0.109 0.000 2.490 261 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.211 261 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.211 261 G C 1.406 176.307 174.900 0.001 0.000 1.159 261 G CA -0.025 45.057 45.100 -0.031 0.000 0.819 261 G HN 0.188 nan 8.290 nan 0.000 0.539 262 E N 0.347 120.504 120.200 -0.072 0.000 2.396 262 E HA -0.024 4.326 4.350 -0.001 0.000 0.200 262 E C 2.139 178.902 176.600 0.272 0.000 1.023 262 E CA 0.499 56.838 56.400 -0.102 0.000 0.857 262 E CB 0.071 29.495 29.700 -0.459 0.000 0.775 262 E HN 0.440 nan 8.360 nan 0.000 0.525 263 L N 0.027 121.427 121.223 0.295 0.000 2.433 263 L HA 0.074 4.413 4.340 -0.001 0.000 0.200 263 L C 2.508 179.631 176.870 0.421 0.000 1.059 263 L CA 0.155 55.259 54.840 0.440 0.000 0.835 263 L CB -0.219 42.031 42.059 0.320 0.000 1.076 263 L HN 0.012 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 -0.111 4.228 4.340 -0.001 0.000 0.225 264 R C 1.852 178.273 176.300 0.202 0.000 1.114 264 R CA 1.169 57.437 56.100 0.280 0.000 1.007 264 R CB -0.445 29.983 30.300 0.214 0.000 0.861 264 R HN 0.220 nan 8.270 nan 0.000 0.471 265 S N 0.949 116.779 115.700 0.218 0.000 2.269 265 S HA -0.114 4.356 4.470 -0.001 0.000 0.167 265 S C -0.076 174.630 174.600 0.177 0.000 1.319 265 S CA -0.283 58.009 58.200 0.153 0.000 2.086 265 S CB -0.398 62.914 63.200 0.187 0.000 0.582 265 S HN 0.367 nan 8.310 nan 0.000 0.360 266 Y N 2.615 122.943 120.300 0.047 0.000 2.787 266 Y HA 0.322 4.872 4.550 -0.001 0.000 0.400 266 Y C 0.468 176.391 175.900 0.039 0.000 1.388 266 Y CA 0.293 58.379 58.100 -0.023 0.000 1.814 266 Y CB -0.696 37.664 38.460 -0.166 0.000 1.241 266 Y HN 0.384 nan 8.280 nan 0.000 0.483 267 L N 1.762 123.055 121.223 0.117 0.000 2.599 267 L HA 0.392 4.732 4.340 -0.001 0.000 0.292 267 L C 0.207 177.091 176.870 0.025 0.000 0.753 267 L CA -0.370 54.531 54.840 0.102 0.000 1.134 267 L CB 0.502 42.652 42.059 0.152 0.000 1.670 267 L HN 0.450 nan 8.230 nan 0.000 0.337 268 K N -2.165 118.243 120.400 0.013 0.000 0.935 268 K HA 0.033 4.353 4.320 -0.001 0.000 0.060 268 K C 0.643 177.224 176.600 -0.031 0.000 2.436 268 K CA 0.914 57.195 56.287 -0.009 0.000 0.971 268 K CB -1.263 31.209 32.500 -0.047 0.000 2.719 268 K HN 0.830 nan 8.250 nan 0.000 0.315 269 G N 0.949 109.658 108.800 -0.152 0.000 2.593 269 G HA2 0.464 4.423 3.960 -0.001 0.000 0.212 269 G HA3 0.464 4.423 3.960 -0.001 0.000 0.212 269 G C 0.261 175.164 174.900 0.006 0.000 1.934 269 G CA 0.659 45.580 45.100 -0.299 0.000 0.861 269 G HN 1.045 nan 8.290 nan 0.000 0.629 270 A N -0.990 121.851 122.820 0.036 0.000 1.888 270 A HA 0.156 4.475 4.320 -0.001 0.000 0.243 270 A C 0.070 177.810 177.584 0.260 0.000 1.351 270 A CA 0.860 53.012 52.037 0.193 0.000 0.702 270 A CB -2.056 17.044 19.000 0.166 0.000 1.185 270 A HN 1.197 nan 8.150 nan 0.000 0.265 271 T N 1.846 116.580 114.554 0.300 0.000 3.050 271 T HA 0.624 4.974 4.350 -0.001 0.000 0.310 271 T C 0.669 175.532 174.700 0.272 0.000 0.978 271 T CA 0.119 62.383 62.100 0.272 0.000 1.013 271 T CB 1.510 70.530 68.868 0.254 0.000 1.000 271 T HN 1.755 nan 8.240 nan 0.000 0.447 272 G N 0.715 109.700 108.800 0.308 0.000 2.588 272 G HA2 0.464 4.424 3.960 -0.001 0.000 0.281 272 G HA3 0.464 4.424 3.960 -0.001 0.000 0.281 272 G C -0.938 174.175 174.900 0.355 0.000 1.236 272 G CA -0.299 45.033 45.100 0.386 0.000 0.969 272 G HN 0.739 nan 8.290 nan 0.000 0.504 273 H N -0.893 118.376 119.070 0.332 0.000 2.708 273 H HA 0.434 4.989 4.556 -0.001 0.000 0.320 273 H C 1.084 176.614 175.328 0.338 0.000 0.991 273 H CA 0.134 56.406 56.048 0.373 0.000 1.243 273 H CB 0.804 30.907 29.762 0.568 0.000 1.446 273 H HN 0.886 nan 8.280 nan 0.000 0.502 274 S N 2.632 118.341 115.700 0.014 0.000 4.157 274 S HA -0.481 3.988 4.470 -0.001 0.000 0.538 274 S C 1.692 176.364 174.600 0.121 0.000 1.717 274 S CA 1.589 59.847 58.200 0.096 0.000 4.089 274 S CB -1.118 62.191 63.200 0.182 0.000 1.082 274 S HN 0.776 nan 8.310 nan 0.000 0.457 275 Q N 3.172 123.082 119.800 0.183 0.000 2.515 275 Q HA 0.213 4.553 4.340 -0.001 0.000 0.212 275 Q C 1.675 177.783 176.000 0.180 0.000 0.970 275 Q CA 0.919 56.832 55.803 0.185 0.000 0.941 275 Q CB -0.860 28.061 28.738 0.306 0.000 0.998 275 Q HN 0.810 nan 8.270 nan 0.000 0.518 276 G N -0.336 108.594 108.800 0.216 0.000 2.850 276 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.211 276 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.211 276 G C 0.982 176.026 174.900 0.240 0.000 1.124 276 G CA -0.134 45.138 45.100 0.287 0.000 0.769 276 G HN 0.322 nan 8.290 nan 0.000 0.535 277 L N 0.960 122.291 121.223 0.181 0.000 2.023 277 L HA 0.115 4.455 4.340 -0.001 0.000 0.205 277 L C 2.826 179.723 176.870 0.045 0.000 1.073 277 L CA 1.280 56.200 54.840 0.133 0.000 0.745 277 L CB -0.491 41.641 42.059 0.123 0.000 0.900 277 L HN 0.026 nan 8.230 nan 0.000 0.435 278 V N -0.366 119.566 119.914 0.029 0.000 2.511 278 V HA -0.393 3.726 4.120 -0.001 0.000 0.257 278 V C 2.415 178.462 176.094 -0.078 0.000 1.088 278 V CA 2.274 64.565 62.300 -0.015 0.000 1.098 278 V CB -1.158 30.666 31.823 0.002 0.000 0.674 278 V HN 0.578 nan 8.190 nan 0.000 0.470 279 T N -0.368 114.109 114.554 -0.128 0.000 2.809 279 T HA -0.021 4.328 4.350 -0.001 0.000 0.260 279 T C 2.085 176.487 174.700 -0.498 0.000 1.039 279 T CA 1.290 63.180 62.100 -0.350 0.000 1.141 279 T CB -0.364 68.186 68.868 -0.530 0.000 0.869 279 T HN 0.588 nan 8.240 nan 0.000 0.437 280 A N 1.481 124.081 122.820 -0.367 0.000 1.859 280 A HA -0.139 4.181 4.320 -0.001 0.000 0.218 280 A C 2.482 179.998 177.584 -0.113 0.000 1.209 280 A CA 2.010 53.940 52.037 -0.179 0.000 0.639 280 A CB -1.390 17.677 19.000 0.112 0.000 0.835 280 A HN 0.294 nan 8.150 nan 0.000 0.450 281 V N -0.262 119.620 119.914 -0.054 0.000 2.239 281 V HA -0.358 3.761 4.120 -0.001 0.000 0.246 281 V C 2.964 179.026 176.094 -0.052 0.000 1.037 281 V CA 2.630 64.911 62.300 -0.032 0.000 1.012 281 V CB -1.422 30.380 31.823 -0.035 0.000 0.650 281 V HN 0.724 nan 8.190 nan 0.000 0.467 282 A N -1.227 121.542 122.820 -0.084 0.000 2.255 282 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 282 A C 2.043 179.619 177.584 -0.014 0.000 1.175 282 A CA 2.029 54.024 52.037 -0.069 0.000 0.682 282 A CB -0.672 18.275 19.000 -0.089 0.000 0.784 282 A HN 0.623 nan 8.150 nan 0.000 0.482 283 I N -1.780 118.747 120.570 -0.073 0.000 3.081 283 I HA -0.053 4.116 4.170 -0.001 0.000 0.274 283 I C 2.806 178.956 176.117 0.056 0.000 1.178 283 I CA 0.635 61.909 61.300 -0.044 0.000 1.460 283 I CB -0.304 37.446 38.000 -0.416 0.000 1.137 283 I HN 0.352 nan 8.210 nan 0.000 0.443 284 A N 1.623 124.461 122.820 0.029 0.000 1.870 284 A HA -0.232 4.088 4.320 -0.001 0.000 0.219 284 A C 0.930 178.581 177.584 0.112 0.000 1.224 284 A CA 1.817 53.900 52.037 0.076 0.000 0.650 284 A CB -0.874 18.165 19.000 0.064 0.000 0.836 284 A HN 0.537 nan 8.150 nan 0.000 0.454 285 E N 0.365 120.628 120.200 0.106 0.000 1.993 285 E HA 0.536 4.886 4.350 -0.001 0.000 0.271 285 E C -0.998 175.692 176.600 0.150 0.000 1.008 285 E CA -0.053 56.419 56.400 0.119 0.000 0.814 285 E CB 0.321 30.088 29.700 0.112 0.000 1.098 285 E HN 0.119 nan 8.360 nan 0.000 0.407 286 T N 2.395 117.049 114.554 0.166 0.000 3.293 286 T HA 0.162 4.512 4.350 -0.001 0.000 0.320 286 T C -0.609 174.160 174.700 0.115 0.000 0.995 286 T CA -0.861 61.361 62.100 0.202 0.000 1.041 286 T CB 1.740 70.816 68.868 0.346 0.000 1.058 286 T HN 0.417 nan 8.240 nan 0.000 0.453 287 D N 2.189 122.631 120.400 0.070 0.000 2.384 287 D HA 0.136 4.775 4.640 -0.001 0.000 0.268 287 D C 1.129 177.342 176.300 -0.144 0.000 1.288 287 D CA 0.383 54.366 54.000 -0.028 0.000 1.013 287 D CB 0.442 41.229 40.800 -0.020 0.000 0.919 287 D HN 0.578 nan 8.370 nan 0.000 0.270 288 S N -0.931 114.682 115.700 -0.146 0.000 2.681 288 S HA 0.136 4.606 4.470 -0.001 0.000 0.270 288 S C 0.872 175.375 174.600 -0.162 0.000 1.209 288 S CA -0.743 57.282 58.200 -0.292 0.000 0.988 288 S CB 0.416 63.502 63.200 -0.189 0.000 1.006 288 S HN 0.445 nan 8.310 nan 0.000 0.558 289 W N 0.991 122.249 121.300 -0.071 0.000 3.223 289 W HA 0.149 4.809 4.660 -0.001 0.000 0.249 289 W C 0.986 177.344 176.519 -0.269 0.000 1.331 289 W CA -0.067 57.192 57.345 -0.143 0.000 1.522 289 W CB -1.077 28.237 29.460 -0.243 0.000 1.098 289 W HN 0.780 nan 8.180 nan 0.000 0.729 290 E N -0.662 119.560 120.200 0.038 0.000 2.244 290 E HA -0.065 4.285 4.350 -0.001 0.000 0.196 290 E C 2.154 178.801 176.600 0.080 0.000 0.939 290 E CA 1.183 57.601 56.400 0.029 0.000 0.884 290 E CB -0.532 29.192 29.700 0.040 0.000 0.850 290 E HN 0.178 nan 8.360 nan 0.000 0.481 291 S N 0.997 116.756 115.700 0.098 0.000 2.387 291 S HA -0.067 4.402 4.470 -0.001 0.000 0.221 291 S C 1.983 176.698 174.600 0.192 0.000 1.041 291 S CA 0.189 58.469 58.200 0.134 0.000 0.959 291 S CB -0.784 62.483 63.200 0.111 0.000 0.843 291 S HN 0.167 nan 8.310 nan 0.000 0.488 292 F N 2.147 122.133 119.950 0.060 0.000 2.214 292 F HA -0.101 4.426 4.527 -0.001 0.000 0.302 292 F C 1.521 177.473 175.800 0.253 0.000 1.063 292 F CA 0.819 58.891 58.000 0.119 0.000 1.319 292 F CB -0.656 38.401 39.000 0.095 0.000 1.046 292 F HN 0.248 nan 8.300 nan 0.000 0.505 293 F N -0.452 119.383 119.950 -0.191 0.000 2.009 293 F HA -0.229 4.297 4.527 -0.001 0.000 0.293 293 F C 2.351 178.145 175.800 -0.011 0.000 1.156 293 F CA 1.177 58.970 58.000 -0.344 0.000 1.168 293 F CB -0.726 38.016 39.000 -0.431 0.000 0.981 293 F HN -0.316 nan 8.300 nan 0.000 0.475 294 V N -0.435 119.655 119.914 0.293 0.000 2.546 294 V HA -0.333 3.787 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 1.842 64.284 62.300 0.238 0.000 1.087 294 V CB -0.982 30.960 31.823 0.198 0.000 0.674 294 V HN 0.431 nan 8.190 nan 0.000 0.470 295 S N 0.031 115.797 115.700 0.110 0.000 2.374 295 S HA -0.195 4.275 4.470 -0.001 0.000 0.227 295 S C 1.907 176.502 174.600 -0.008 0.000 1.037 295 S CA 2.161 60.392 58.200 0.052 0.000 1.024 295 S CB -0.219 63.037 63.200 0.093 0.000 0.861 295 S HN 0.418 nan 8.310 nan 0.000 0.456 296 V N 2.200 122.103 119.914 -0.019 0.000 2.379 296 V HA -0.041 4.079 4.120 -0.001 0.000 0.245 296 V C 2.628 178.700 176.094 -0.036 0.000 1.044 296 V CA 1.861 64.149 62.300 -0.019 0.000 1.036 296 V CB -0.945 30.893 31.823 0.025 0.000 0.664 296 V HN 0.501 nan 8.190 nan 0.000 0.453 297 R N 0.724 121.215 120.500 -0.016 0.000 2.165 297 R HA -0.286 4.054 4.340 -0.001 0.000 0.254 297 R C 2.203 178.438 176.300 -0.109 0.000 1.153 297 R CA 2.148 58.171 56.100 -0.128 0.000 0.971 297 R CB -0.216 30.054 30.300 -0.050 0.000 0.878 297 R HN 0.582 nan 8.270 nan 0.000 0.449 298 K N 0.056 120.403 120.400 -0.090 0.000 1.968 298 K HA -0.135 4.184 4.320 -0.001 0.000 0.222 298 K C 2.172 178.718 176.600 -0.091 0.000 1.043 298 K CA 1.391 57.601 56.287 -0.130 0.000 0.991 298 K CB -0.606 31.771 32.500 -0.205 0.000 0.744 298 K HN 0.218 nan 8.250 nan 0.000 0.445 299 A N 1.844 124.616 122.820 -0.080 0.000 1.916 299 A HA -0.301 4.019 4.320 -0.001 0.000 0.224 299 A C 2.256 179.839 177.584 -0.001 0.000 1.366 299 A CA 2.414 54.425 52.037 -0.044 0.000 0.692 299 A CB -1.335 17.639 19.000 -0.043 0.000 0.841 299 A HN 0.376 nan 8.150 nan 0.000 0.480 300 I N -1.043 119.518 120.570 -0.015 0.000 2.052 300 I HA -0.309 3.861 4.170 -0.001 0.000 0.235 300 I C 2.646 178.815 176.117 0.088 0.000 1.046 300 I CA 2.221 63.530 61.300 0.015 0.000 1.308 300 I CB -1.225 36.724 38.000 -0.085 0.000 1.031 300 I HN 0.362 nan 8.210 nan 0.000 0.395 301 T N 0.932 115.492 114.554 0.010 0.000 2.778 301 T HA -0.142 4.208 4.350 -0.001 0.000 0.269 301 T C 1.839 176.687 174.700 0.246 0.000 1.050 301 T CA 1.267 63.414 62.100 0.077 0.000 1.137 301 T CB -0.494 68.338 68.868 -0.060 0.000 0.860 301 T HN 0.118 nan 8.240 nan 0.000 0.468 302 V N 1.874 121.858 119.914 0.115 0.000 2.231 302 V HA -0.183 3.937 4.120 -0.001 0.000 0.239 302 V C 2.514 178.714 176.094 0.177 0.000 1.035 302 V CA 1.754 64.117 62.300 0.105 0.000 0.989 302 V CB -1.003 30.834 31.823 0.023 0.000 0.636 302 V HN 0.414 nan 8.190 nan 0.000 0.457 303 L N -0.836 120.464 121.223 0.129 0.000 2.064 303 L HA -0.291 4.049 4.340 -0.001 0.000 0.216 303 L C 2.377 179.345 176.870 0.164 0.000 1.077 303 L CA 2.248 57.159 54.840 0.119 0.000 0.766 303 L CB -0.858 41.272 42.059 0.118 0.000 0.890 303 L HN 0.429 nan 8.230 nan 0.000 0.435 304 F N 0.659 120.666 119.950 0.095 0.000 2.008 304 F HA -0.344 4.183 4.527 -0.001 0.000 0.297 304 F C 2.304 178.160 175.800 0.094 0.000 1.156 304 F CA 1.925 59.985 58.000 0.100 0.000 1.191 304 F CB -0.627 38.432 39.000 0.097 0.000 0.955 304 F HN -0.174 nan 8.300 nan 0.000 0.497 305 F N 0.838 121.001 119.950 0.355 0.000 2.202 305 F HA -0.231 4.295 4.527 -0.001 0.000 0.301 305 F C 2.141 177.950 175.800 0.014 0.000 1.082 305 F CA 1.727 59.837 58.000 0.183 0.000 1.313 305 F CB -0.674 38.457 39.000 0.217 0.000 1.024 305 F HN 0.045 nan 8.300 nan 0.000 0.495 306 I N -0.805 119.857 120.570 0.152 0.000 2.113 306 I HA -0.247 3.923 4.170 -0.001 0.000 0.238 306 I C 2.830 178.919 176.117 -0.047 0.000 1.070 306 I CA 1.477 62.788 61.300 0.020 0.000 1.332 306 I CB -1.547 36.422 38.000 -0.053 0.000 1.044 306 I HN 0.160 nan 8.210 nan 0.000 0.402 307 G N 1.259 110.019 108.800 -0.065 0.000 2.545 307 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.217 307 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.217 307 G C 1.715 176.568 174.900 -0.078 0.000 1.218 307 G CA 1.447 46.508 45.100 -0.064 0.000 0.787 307 G HN 0.249 nan 8.290 nan 0.000 0.571 308 V N 1.044 120.821 119.914 -0.229 0.000 2.313 308 V HA -0.270 3.849 4.120 -0.001 0.000 0.253 308 V C 3.023 179.077 176.094 -0.067 0.000 1.070 308 V CA 2.327 64.487 62.300 -0.232 0.000 1.057 308 V CB -0.505 30.981 31.823 -0.562 0.000 0.653 308 V HN 0.285 nan 8.190 nan 0.000 0.450 309 R N -0.769 119.707 120.500 -0.041 0.000 2.066 309 R HA 0.017 4.357 4.340 -0.001 0.000 0.224 309 R C 2.313 178.642 176.300 0.049 0.000 1.122 309 R CA 1.553 57.672 56.100 0.031 0.000 0.974 309 R CB -1.453 28.890 30.300 0.072 0.000 0.871 309 R HN 0.526 nan 8.270 nan 0.000 0.435 310 C N 0.577 119.891 119.300 0.023 0.000 2.403 310 C HA -0.146 4.314 4.460 -0.001 0.000 0.279 310 C C 2.508 177.532 174.990 0.056 0.000 1.269 310 C CA 0.303 59.328 59.018 0.012 0.000 1.774 310 C CB -1.294 26.412 27.740 -0.058 0.000 1.993 310 C HN 0.445 nan 8.230 nan 0.000 0.496 311 Y N 1.822 122.096 120.300 -0.042 0.000 2.274 311 Y HA -0.146 4.403 4.550 -0.001 0.000 0.290 311 Y C 2.196 178.083 175.900 -0.022 0.000 1.145 311 Y CA 1.684 59.756 58.100 -0.046 0.000 1.203 311 Y CB -0.314 38.095 38.460 -0.085 0.000 0.984 311 Y HN 0.430 nan 8.280 nan 0.000 0.533 312 E N -0.269 120.004 120.200 0.122 0.000 2.511 312 E HA 0.015 4.364 4.350 -0.001 0.000 0.196 312 E C 1.713 178.330 176.600 0.029 0.000 1.066 312 E CA 0.224 56.670 56.400 0.076 0.000 0.871 312 E CB 0.047 29.803 29.700 0.094 0.000 0.863 312 E HN 0.558 nan 8.360 nan 0.000 0.520 313 A N 1.142 123.971 122.820 0.016 0.000 1.991 313 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 313 A C 0.466 178.104 177.584 0.091 0.000 1.487 313 A CA 0.708 52.773 52.037 0.046 0.000 0.603 313 A CB -0.131 18.900 19.000 0.052 0.000 1.112 313 A HN 0.322 nan 8.150 nan 0.000 0.492 314 Y N 1.915 122.158 120.300 -0.095 0.000 2.748 314 Y HA 0.408 4.957 4.550 -0.001 0.000 0.359 314 Y C -2.532 173.252 175.900 -0.193 0.000 1.030 314 Y CA -3.659 54.375 58.100 -0.110 0.000 1.169 314 Y CB 0.419 38.841 38.460 -0.063 0.000 1.127 314 Y HN 0.240 nan 8.280 nan 0.000 0.644 315 P HA 0.043 nan 4.420 nan 0.000 0.271 315 P C -0.723 176.196 177.300 -0.635 0.000 1.244 315 P CA -0.110 62.547 63.100 -0.739 0.000 0.793 315 P CB 1.024 32.126 31.700 -0.997 0.000 0.984 316 N N -0.181 118.205 118.700 -0.524 0.000 2.206 316 N HA -0.036 4.704 4.740 -0.001 0.000 0.283 316 N C 0.051 175.398 175.510 -0.272 0.000 1.385 316 N CA 0.365 53.221 53.050 -0.325 0.000 1.002 316 N CB -0.546 37.833 38.487 -0.181 0.000 1.423 316 N HN 0.355 nan 8.380 nan 0.000 0.488 317 T N 1.711 116.048 114.554 -0.362 0.000 2.884 317 T HA 0.037 4.387 4.350 -0.001 0.000 0.298 317 T C 0.489 175.113 174.700 -0.126 0.000 0.998 317 T CA -0.415 61.529 62.100 -0.261 0.000 1.124 317 T CB 0.542 69.223 68.868 -0.312 0.000 0.931 317 T HN 0.280 nan 8.240 nan 0.000 0.531 318 S N 3.913 119.571 115.700 -0.070 0.000 2.752 318 S HA 0.017 4.487 4.470 -0.001 0.000 0.329 318 S C 0.312 174.893 174.600 -0.032 0.000 1.204 318 S CA -0.541 57.638 58.200 -0.036 0.000 1.252 318 S CB -0.583 62.604 63.200 -0.021 0.000 1.053 318 S HN 0.525 nan 8.310 nan 0.000 0.533 319 L N 6.803 128.005 121.223 -0.035 0.000 2.540 319 L HA 0.243 4.582 4.340 -0.001 0.000 0.276 319 L C -1.861 174.996 176.870 -0.022 0.000 1.212 319 L CA -0.995 53.826 54.840 -0.032 0.000 0.893 319 L CB -0.146 41.890 42.059 -0.038 0.000 1.138 319 L HN 0.313 nan 8.230 nan 0.000 0.491 320 P HA 0.253 nan 4.420 nan 0.000 0.287 320 P C -2.441 174.845 177.300 -0.023 0.000 1.294 320 P CA -1.510 61.584 63.100 -0.010 0.000 0.776 320 P CB 0.988 32.693 31.700 0.008 0.000 0.889 321 P HA -0.147 nan 4.420 nan 0.000 0.217 321 P C 1.345 178.628 177.300 -0.029 0.000 1.150 321 P CA 1.076 64.159 63.100 -0.028 0.000 0.832 321 P CB -0.099 31.588 31.700 -0.020 0.000 0.787 322 S N -0.229 115.462 115.700 -0.014 0.000 2.444 322 S HA -0.163 4.306 4.470 -0.001 0.000 0.244 322 S C 1.920 176.514 174.600 -0.010 0.000 1.025 322 S CA 1.268 59.467 58.200 -0.001 0.000 0.995 322 S CB -0.715 62.496 63.200 0.017 0.000 0.781 322 S HN 0.253 nan 8.310 nan 0.000 0.496 323 I N -0.704 119.837 120.570 -0.048 0.000 3.565 323 I HA 0.064 4.233 4.170 -0.001 0.000 0.287 323 I C 1.889 177.888 176.117 -0.197 0.000 1.193 323 I CA 0.080 61.292 61.300 -0.147 0.000 1.402 323 I CB -0.207 37.678 38.000 -0.192 0.000 1.284 323 I HN 0.176 nan 8.210 nan 0.000 0.454 324 L N 1.829 122.975 121.223 -0.128 0.000 2.123 324 L HA -0.289 4.051 4.340 -0.001 0.000 0.217 324 L C 2.076 178.887 176.870 -0.099 0.000 1.081 324 L CA 2.097 56.874 54.840 -0.104 0.000 0.772 324 L CB -0.641 41.382 42.059 -0.061 0.000 0.890 324 L HN 0.231 nan 8.230 nan 0.000 0.437 325 E N -0.232 119.919 120.200 -0.082 0.000 1.997 325 E HA -0.218 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 1.449 57.812 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 0.567 nan 8.360 nan 0.000 0.479 326 D N -0.362 120.001 120.400 -0.061 0.000 2.191 326 D HA -0.248 4.391 4.640 -0.001 0.000 0.190 326 D C 1.951 178.212 176.300 -0.065 0.000 1.007 326 D CA 2.401 56.383 54.000 -0.030 0.000 0.865 326 D CB -0.377 40.451 40.800 0.047 0.000 0.929 326 D HN 0.279 nan 8.370 nan 0.000 0.447 327 S N 0.047 115.612 115.700 -0.226 0.000 2.382 327 S HA -0.135 4.334 4.470 -0.001 0.000 0.228 327 S C 2.442 176.976 174.600 -0.110 0.000 1.027 327 S CA 0.627 58.685 58.200 -0.237 0.000 0.991 327 S CB -0.746 62.195 63.200 -0.432 0.000 0.823 327 S HN 0.408 nan 8.310 nan 0.000 0.469 328 L N 0.719 121.884 121.223 -0.097 0.000 2.465 328 L HA 0.076 4.415 4.340 -0.001 0.000 0.224 328 L C 2.648 179.489 176.870 -0.049 0.000 1.145 328 L CA 0.936 55.738 54.840 -0.064 0.000 0.834 328 L CB -0.202 41.825 42.059 -0.053 0.000 0.944 328 L HN 0.449 nan 8.230 nan 0.000 0.451 329 E N -0.416 119.758 120.200 -0.043 0.000 2.075 329 E HA -0.188 4.161 4.350 -0.001 0.000 0.190 329 E C 1.527 178.109 176.600 -0.030 0.000 0.969 329 E CA 0.720 57.102 56.400 -0.030 0.000 0.815 329 E CB 0.000 29.689 29.700 -0.020 0.000 0.776 329 E HN 0.540 nan 8.360 nan 0.000 0.457 330 N N 0.914 119.599 118.700 -0.025 0.000 2.443 330 N HA -0.198 4.541 4.740 -0.001 0.000 0.184 330 N C 0.518 175.997 175.510 -0.052 0.000 1.037 330 N CA 0.767 53.798 53.050 -0.031 0.000 0.896 330 N CB 0.009 38.488 38.487 -0.012 0.000 0.959 330 N HN 0.183 nan 8.380 nan 0.000 0.442 331 N N -0.837 117.828 118.700 -0.058 0.000 2.925 331 N HA -0.183 4.557 4.740 -0.001 0.000 0.244 331 N C 0.003 175.451 175.510 -0.104 0.000 1.000 331 N CA 0.585 53.594 53.050 -0.068 0.000 0.895 331 N CB -0.940 37.513 38.487 -0.056 0.000 1.119 331 N HN 0.464 nan 8.380 nan 0.000 0.569 332 E N 0.239 120.355 120.200 -0.139 0.000 2.085 332 E HA -0.038 4.311 4.350 -0.001 0.000 0.194 332 E C 1.487 177.929 176.600 -0.263 0.000 0.994 332 E CA 1.165 57.400 56.400 -0.275 0.000 0.801 332 E CB -0.198 29.305 29.700 -0.328 0.000 0.743 332 E HN 0.616 nan 8.360 nan 0.000 0.453 333 G N 0.244 108.966 108.800 -0.130 0.000 2.632 333 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.224 333 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.224 333 G C -0.053 174.901 174.900 0.089 0.000 1.341 333 G CA -0.510 44.566 45.100 -0.039 0.000 0.880 333 G HN 0.336 nan 8.290 nan 0.000 0.566 334 V N 1.551 121.527 119.914 0.102 0.000 3.175 334 V HA -0.088 4.032 4.120 -0.001 0.000 0.269 334 V C 0.399 176.706 176.094 0.356 0.000 1.013 334 V CA 1.116 63.505 62.300 0.149 0.000 1.161 334 V CB -0.626 31.267 31.823 0.115 0.000 0.746 334 V HN 0.826 nan 8.190 nan 0.000 0.424 335 P HA -0.217 nan 4.420 nan 0.000 0.219 335 P C 0.910 177.969 177.300 -0.403 0.000 1.145 335 P CA 1.314 64.495 63.100 0.134 0.000 0.813 335 P CB 0.103 31.793 31.700 -0.017 0.000 0.771 336 S N 1.476 117.069 115.700 -0.178 0.000 4.609 336 S HA -0.121 4.348 4.470 -0.001 0.000 0.546 336 S C -1.679 172.652 174.600 -0.448 0.000 1.001 336 S CA -0.289 57.769 58.200 -0.236 0.000 1.031 336 S CB -0.368 62.802 63.200 -0.050 0.000 1.782 336 S HN 0.178 nan 8.310 nan 0.000 0.374 337 P HA 0.166 nan 4.420 nan 0.000 0.235 337 P C -0.238 176.972 177.300 -0.149 0.000 1.720 337 P CA 0.414 63.391 63.100 -0.205 0.000 1.003 337 P CB -0.678 30.969 31.700 -0.088 0.000 1.968 338 M N 2.063 121.536 119.600 -0.211 0.000 2.394 338 M HA 0.204 4.684 4.480 -0.001 0.000 0.267 338 M C -2.229 174.111 176.300 0.066 0.000 0.992 338 M CA -0.770 54.502 55.300 -0.047 0.000 0.858 338 M CB 1.423 34.013 32.600 -0.016 0.000 2.027 338 M HN -0.020 nan 8.290 nan 0.000 0.508 339 L N 3.056 124.394 121.223 0.192 0.000 2.370 339 L HA 0.853 5.192 4.340 -0.001 0.000 0.266 339 L C -1.006 175.996 176.870 0.220 0.000 1.002 339 L CA 0.132 55.216 54.840 0.407 0.000 0.818 339 L CB 2.454 44.835 42.059 0.538 0.000 1.325 339 L HN 0.626 nan 8.230 nan 0.000 0.418 340 S N 4.649 120.454 115.700 0.176 0.000 2.921 340 S HA 0.449 4.919 4.470 -0.001 0.000 0.244 340 S C 0.207 174.851 174.600 0.072 0.000 1.291 340 S CA -0.597 57.656 58.200 0.089 0.000 1.010 340 S CB -0.806 62.423 63.200 0.050 0.000 1.255 340 S HN 0.584 nan 8.310 nan 0.000 0.492 341 I N 3.743 124.365 120.570 0.087 0.000 2.397 341 I HA 0.036 4.205 4.170 -0.001 0.000 0.291 341 I C 1.334 177.457 176.117 0.010 0.000 1.125 341 I CA -0.206 61.146 61.300 0.087 0.000 1.961 341 I CB -0.766 37.305 38.000 0.119 0.000 1.508 341 I HN 0.526 nan 8.210 nan 0.000 0.886 342 S N 3.420 119.119 115.700 -0.002 0.000 2.687 342 S HA -0.137 4.333 4.470 -0.001 0.000 0.248 342 S C 0.966 175.505 174.600 -0.101 0.000 1.390 342 S CA 0.078 58.252 58.200 -0.044 0.000 0.963 342 S CB 0.144 63.325 63.200 -0.031 0.000 0.957 342 S HN 0.811 nan 8.310 nan 0.000 0.584 343 N N 0.206 118.848 118.700 -0.097 0.000 2.770 343 N HA -0.144 4.595 4.740 -0.001 0.000 0.283 343 N C -0.631 174.754 175.510 -0.209 0.000 1.009 343 N CA 1.060 54.035 53.050 -0.124 0.000 0.828 343 N CB -1.027 37.400 38.487 -0.101 0.000 0.939 343 N HN 0.489 nan 8.380 nan 0.000 0.580 344 L N -0.439 120.680 121.223 -0.173 0.000 2.995 344 L HA 0.477 4.817 4.340 -0.001 0.000 0.281 344 L C -0.682 176.116 176.870 -0.120 0.000 1.010 344 L CA -0.518 54.203 54.840 -0.198 0.000 1.019 344 L CB 1.629 43.507 42.059 -0.302 0.000 1.601 344 L HN 0.215 nan 8.230 nan 0.000 0.360 345 T N 0.318 114.804 114.554 -0.113 0.000 2.907 345 T HA 0.390 4.739 4.350 -0.001 0.000 0.292 345 T C -0.499 174.155 174.700 -0.076 0.000 1.043 345 T CA -0.293 61.760 62.100 -0.079 0.000 1.003 345 T CB 2.301 71.128 68.868 -0.068 0.000 1.084 345 T HN 0.488 nan 8.240 nan 0.000 0.483 346 Q N 0.780 120.550 119.800 -0.051 0.000 2.651 346 Q HA 0.074 4.413 4.340 -0.001 0.000 0.224 346 Q C 1.082 177.044 176.000 -0.063 0.000 1.094 346 Q CA 0.917 56.696 55.803 -0.041 0.000 1.018 346 Q CB 0.338 29.064 28.738 -0.019 0.000 1.292 346 Q HN 0.934 nan 8.270 nan 0.000 0.588 347 E N -1.116 119.049 120.200 -0.059 0.000 4.429 347 E HA -0.451 3.899 4.350 -0.001 0.000 0.185 347 E C 1.368 177.874 176.600 -0.156 0.000 1.272 347 E CA 1.965 58.317 56.400 -0.079 0.000 2.340 347 E CB -1.109 28.552 29.700 -0.064 0.000 1.837 347 E HN 0.811 nan 8.360 nan 0.000 0.389 348 Q N 0.297 119.986 119.800 -0.185 0.000 2.030 348 Q HA -0.139 4.201 4.340 -0.001 0.000 0.204 348 Q C 2.338 178.094 176.000 -0.407 0.000 0.986 348 Q CA 2.336 57.937 55.803 -0.336 0.000 0.843 348 Q CB -0.084 28.512 28.738 -0.235 0.000 0.904 348 Q HN 0.407 nan 8.270 nan 0.000 0.420 349 V N 0.897 120.710 119.914 -0.169 0.000 2.392 349 V HA -0.299 3.821 4.120 -0.001 0.000 0.249 349 V C 2.208 178.285 176.094 -0.029 0.000 1.059 349 V CA 1.982 64.264 62.300 -0.031 0.000 1.051 349 V CB -0.546 31.279 31.823 0.004 0.000 0.658 349 V HN 0.333 nan 8.190 nan 0.000 0.455 350 Q N 0.282 120.035 119.800 -0.078 0.000 1.890 350 Q HA -0.180 4.160 4.340 -0.001 0.000 0.208 350 Q C 2.023 177.987 176.000 -0.061 0.000 0.982 350 Q CA 2.084 57.860 55.803 -0.046 0.000 0.856 350 Q CB -0.742 27.970 28.738 -0.043 0.000 0.915 350 Q HN 0.581 nan 8.270 nan 0.000 0.427 351 D N -0.801 119.519 120.400 -0.133 0.000 2.600 351 D HA -0.293 4.346 4.640 -0.001 0.000 0.194 351 D C 1.933 178.244 176.300 0.018 0.000 1.040 351 D CA 2.261 56.194 54.000 -0.113 0.000 0.871 351 D CB -0.721 39.935 40.800 -0.239 0.000 0.973 351 D HN 0.451 nan 8.370 nan 0.000 0.470 352 Y N 0.794 121.112 120.300 0.029 0.000 2.053 352 Y HA -0.244 4.305 4.550 -0.001 0.000 0.277 352 Y C 2.871 178.778 175.900 0.011 0.000 1.159 352 Y CA 0.500 58.620 58.100 0.032 0.000 1.125 352 Y CB -0.652 37.845 38.460 0.062 0.000 0.969 352 Y HN -0.130 nan 8.280 nan 0.000 0.492 353 V N 0.801 120.823 119.914 0.180 0.000 2.233 353 V HA -0.409 3.711 4.120 -0.001 0.000 0.252 353 V C 1.938 178.049 176.094 0.028 0.000 1.063 353 V CA 2.046 64.394 62.300 0.079 0.000 1.032 353 V CB -0.791 31.058 31.823 0.043 0.000 0.645 353 V HN 0.491 nan 8.190 nan 0.000 0.446 354 N N 0.563 119.273 118.700 0.017 0.000 2.018 354 N HA -0.268 4.472 4.740 -0.001 0.000 0.197 354 N C 1.739 177.218 175.510 -0.052 0.000 1.071 354 N CA 2.137 55.177 53.050 -0.017 0.000 0.887 354 N CB -0.632 37.850 38.487 -0.009 0.000 1.077 354 N HN 0.502 nan 8.380 nan 0.000 0.469 355 K N 0.048 120.432 120.400 -0.026 0.000 2.206 355 K HA -0.224 4.096 4.320 -0.001 0.000 0.211 355 K C 2.102 178.585 176.600 -0.195 0.000 1.047 355 K CA 2.252 58.499 56.287 -0.067 0.000 0.933 355 K CB -0.549 31.995 32.500 0.073 0.000 0.721 355 K HN 0.410 nan 8.250 nan 0.000 0.471 356 T N 1.151 115.660 114.554 -0.075 0.000 2.643 356 T HA -0.125 4.225 4.350 -0.001 0.000 0.264 356 T C 1.583 176.197 174.700 -0.143 0.000 1.045 356 T CA 1.454 63.514 62.100 -0.066 0.000 1.155 356 T CB -0.390 68.472 68.868 -0.009 0.000 0.863 356 T HN 0.254 nan 8.240 nan 0.000 0.420 357 N N 1.419 120.046 118.700 -0.121 0.000 2.094 357 N HA -0.110 4.630 4.740 -0.001 0.000 0.191 357 N C 2.172 177.576 175.510 -0.177 0.000 1.023 357 N CA 1.336 54.318 53.050 -0.113 0.000 0.857 357 N CB -0.602 37.835 38.487 -0.083 0.000 1.013 357 N HN 0.313 nan 8.380 nan 0.000 0.426 358 S N 0.967 116.492 115.700 -0.293 0.000 2.426 358 S HA -0.225 4.245 4.470 -0.001 0.000 0.259 358 S C 1.508 175.932 174.600 -0.293 0.000 1.096 358 S CA 1.693 59.666 58.200 -0.378 0.000 1.219 358 S CB -0.725 62.074 63.200 -0.669 0.000 1.124 358 S HN 0.567 nan 8.310 nan 0.000 0.436 359 H N 0.059 119.130 119.070 0.002 0.000 2.525 359 H HA 0.345 4.901 4.556 -0.001 0.000 0.275 359 H C 0.749 176.074 175.328 -0.004 0.000 0.984 359 H CA 0.013 56.060 56.048 -0.001 0.000 1.264 359 H CB -0.476 29.284 29.762 -0.004 0.000 1.432 359 H HN 0.309 nan 8.280 nan 0.000 0.549 360 L N 3.250 124.485 121.223 0.019 0.000 2.453 360 L HA 0.125 4.465 4.340 -0.001 0.000 0.272 360 L C -1.888 174.981 176.870 -0.003 0.000 1.182 360 L CA -1.686 53.159 54.840 0.009 0.000 0.858 360 L CB 0.504 42.552 42.059 -0.019 0.000 1.120 360 L HN -0.093 nan 8.230 nan 0.000 0.474 361 P HA -0.022 nan 4.420 nan 0.000 0.268 361 P C 0.102 177.394 177.300 -0.014 0.000 1.208 361 P CA 0.021 63.119 63.100 -0.004 0.000 0.777 361 P CB 0.766 32.463 31.700 -0.006 0.000 0.875 362 A N 3.157 125.972 122.820 -0.008 0.000 1.869 362 A HA -0.206 4.114 4.320 -0.001 0.000 0.218 362 A C 2.375 179.953 177.584 -0.010 0.000 1.203 362 A CA 2.575 54.610 52.037 -0.003 0.000 0.638 362 A CB -2.053 16.950 19.000 0.005 0.000 0.831 362 A HN 0.648 nan 8.150 nan 0.000 0.450 363 G N -0.543 108.240 108.800 -0.028 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 1.547 176.394 174.900 -0.088 0.000 1.164 363 G CA 1.220 46.284 45.100 -0.059 0.000 0.768 363 G HN 0.622 nan 8.290 nan 0.000 0.560 364 K N 0.632 120.985 120.400 -0.080 0.000 2.487 364 K HA 0.103 4.423 4.320 -0.001 0.000 0.192 364 K C 1.202 177.767 176.600 -0.059 0.000 1.027 364 K CA -0.148 56.090 56.287 -0.082 0.000 1.054 364 K CB 0.118 32.585 32.500 -0.055 0.000 0.824 364 K HN 0.474 nan 8.250 nan 0.000 0.510 365 Q N 0.563 120.331 119.800 -0.052 0.000 2.700 365 Q HA 0.110 4.449 4.340 -0.001 0.000 0.232 365 Q C -0.317 175.619 176.000 -0.107 0.000 1.110 365 Q CA 0.210 55.973 55.803 -0.067 0.000 1.026 365 Q CB 0.768 29.474 28.738 -0.055 0.000 1.311 365 Q HN -0.103 nan 8.270 nan 0.000 0.583 366 V N -0.005 119.818 119.914 -0.151 0.000 2.971 366 V HA 0.243 4.363 4.120 -0.001 0.000 0.309 366 V C -0.624 175.302 176.094 -0.279 0.000 1.130 366 V CA -0.744 61.448 62.300 -0.181 0.000 0.964 366 V CB 2.014 33.793 31.823 -0.073 0.000 1.029 366 V HN 0.780 nan 8.190 nan 0.000 0.427 367 E N 2.673 122.689 120.200 -0.306 0.000 2.239 367 E HA 0.502 4.852 4.350 -0.001 0.000 0.261 367 E C -0.763 175.825 176.600 -0.021 0.000 1.016 367 E CA -0.815 55.450 56.400 -0.224 0.000 0.882 367 E CB 2.090 31.703 29.700 -0.146 0.000 1.190 367 E HN 0.705 nan 8.360 nan 0.000 0.415 368 I N 3.489 124.080 120.570 0.036 0.000 2.206 368 I HA 0.049 4.218 4.170 -0.001 0.000 0.292 368 I C 0.552 176.716 176.117 0.078 0.000 1.156 368 I CA 0.022 61.356 61.300 0.056 0.000 1.356 368 I CB -0.088 37.943 38.000 0.050 0.000 1.494 368 I HN 0.541 nan 8.210 nan 0.000 0.601 369 S N 5.508 121.264 115.700 0.093 0.000 2.407 369 S HA -0.203 4.267 4.470 -0.001 0.000 0.244 369 S C 0.797 175.420 174.600 0.038 0.000 1.077 369 S CA 1.518 59.789 58.200 0.118 0.000 1.159 369 S CB -0.297 62.985 63.200 0.136 0.000 1.045 369 S HN 0.598 nan 8.310 nan 0.000 0.438 370 L N -1.437 119.802 121.223 0.028 0.000 2.194 370 L HA 0.599 4.939 4.340 -0.001 0.000 0.248 370 L C -0.266 176.603 176.870 -0.001 0.000 1.071 370 L CA -0.677 54.162 54.840 -0.002 0.000 0.901 370 L CB 1.933 44.018 42.059 0.044 0.000 1.497 370 L HN -0.108 nan 8.230 nan 0.000 0.442 371 V N -0.343 119.567 119.914 -0.007 0.000 3.590 371 V HA 0.043 4.162 4.120 -0.001 0.000 0.389 371 V C -0.496 175.590 176.094 -0.013 0.000 1.545 371 V CA -0.650 61.642 62.300 -0.013 0.000 1.448 371 V CB 0.321 32.130 31.823 -0.024 0.000 1.105 371 V HN 0.792 nan 8.190 nan 0.000 0.537 372 N N 2.565 121.237 118.700 -0.048 0.000 2.458 372 N HA 0.372 5.112 4.740 -0.001 0.000 0.258 372 N C 0.610 176.024 175.510 -0.160 0.000 1.219 372 N CA 1.323 54.278 53.050 -0.160 0.000 0.902 372 N CB 1.175 39.422 38.487 -0.400 0.000 1.076 372 N HN 0.635 nan 8.380 nan 0.000 0.455 373 G N -0.085 108.627 108.800 -0.145 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 0.368 175.242 174.900 -0.044 0.000 1.350 373 G CA -0.014 45.027 45.100 -0.099 0.000 0.837 373 G HN 0.919 nan 8.290 nan 0.000 0.564 374 A N -0.235 122.566 122.820 -0.033 0.000 2.147 374 A HA 0.348 4.668 4.320 -0.001 0.000 0.211 374 A C 1.990 179.555 177.584 -0.032 0.000 1.160 374 A CA 1.910 53.935 52.037 -0.020 0.000 0.781 374 A CB -0.169 18.825 19.000 -0.010 0.000 0.842 374 A HN 1.076 nan 8.150 nan 0.000 0.475 375 K N -0.812 119.561 120.400 -0.045 0.000 2.324 375 K HA 0.161 4.480 4.320 -0.001 0.000 0.222 375 K C -0.016 176.548 176.600 -0.060 0.000 1.107 375 K CA -0.361 55.892 56.287 -0.056 0.000 0.873 375 K CB -0.579 31.885 32.500 -0.060 0.000 1.270 375 K HN 0.173 nan 8.250 nan 0.000 0.456 376 N N 1.761 120.422 118.700 -0.065 0.000 2.167 376 N HA -0.106 4.634 4.740 -0.001 0.000 0.258 376 N C -0.473 175.010 175.510 -0.045 0.000 1.241 376 N CA 0.922 53.935 53.050 -0.062 0.000 0.829 376 N CB 0.431 38.864 38.487 -0.090 0.000 1.072 376 N HN 0.268 nan 8.380 nan 0.000 0.466 377 L N 2.015 123.225 121.223 -0.022 0.000 2.348 377 L HA 0.102 4.441 4.340 -0.001 0.000 0.263 377 L C -0.533 176.356 176.870 0.031 0.000 1.434 377 L CA -0.399 54.441 54.840 -0.000 0.000 0.801 377 L CB 1.110 43.168 42.059 -0.000 0.000 0.954 377 L HN 0.195 nan 8.230 nan 0.000 0.521 378 V N 1.250 121.185 119.914 0.035 0.000 2.928 378 V HA 0.109 4.229 4.120 -0.001 0.000 0.307 378 V C 0.458 176.598 176.094 0.078 0.000 1.105 378 V CA 0.282 62.623 62.300 0.067 0.000 1.223 378 V CB 1.242 33.107 31.823 0.071 0.000 0.930 378 V HN 0.281 nan 8.190 nan 0.000 0.499 379 V N 3.134 123.105 119.914 0.096 0.000 3.102 379 V HA 0.842 4.962 4.120 -0.001 0.000 0.312 379 V C -0.260 175.882 176.094 0.080 0.000 1.135 379 V CA -0.327 62.025 62.300 0.086 0.000 1.022 379 V CB 2.398 34.274 31.823 0.089 0.000 1.056 379 V HN 0.963 nan 8.190 nan 0.000 0.436 380 S N -0.038 115.698 115.700 0.060 0.000 2.567 380 S HA 0.899 5.369 4.470 -0.001 0.000 0.270 380 S C -0.562 174.053 174.600 0.025 0.000 1.152 380 S CA 0.312 58.538 58.200 0.042 0.000 0.835 380 S CB 1.792 65.036 63.200 0.074 0.000 1.115 380 S HN 1.699 nan 8.310 nan 0.000 0.459 381 G N 1.764 110.574 108.800 0.016 0.000 2.427 381 G HA2 0.573 4.533 3.960 -0.001 0.000 0.306 381 G HA3 0.573 4.533 3.960 -0.001 0.000 0.306 381 G C -3.410 171.522 174.900 0.054 0.000 1.280 381 G CA -0.623 44.489 45.100 0.020 0.000 0.837 381 G HN 0.607 nan 8.290 nan 0.000 0.482 382 P HA 0.130 nan 4.420 nan 0.000 0.267 382 P C -1.745 175.619 177.300 0.107 0.000 1.201 382 P CA -0.526 62.719 63.100 0.241 0.000 0.775 382 P CB 1.088 32.893 31.700 0.175 0.000 0.854 383 P HA -0.243 nan 4.420 nan 0.000 0.215 383 P C 1.360 178.644 177.300 -0.026 0.000 1.163 383 P CA 1.852 64.919 63.100 -0.055 0.000 0.894 383 P CB 0.012 31.668 31.700 -0.073 0.000 0.791 384 Q N 0.352 120.182 119.800 0.050 0.000 1.061 384 Q HA -0.190 4.150 4.340 -0.001 0.000 0.758 384 Q C 2.389 178.445 176.000 0.094 0.000 0.923 384 Q CA 2.203 58.062 55.803 0.094 0.000 0.875 384 Q CB -1.256 27.540 28.738 0.096 0.000 0.920 384 Q HN 0.327 nan 8.270 nan 0.000 0.274 385 S N 1.010 116.751 115.700 0.067 0.000 2.636 385 S HA -0.361 4.109 4.470 -0.001 0.000 0.344 385 S C 1.782 176.407 174.600 0.041 0.000 1.333 385 S CA 2.274 60.496 58.200 0.037 0.000 1.176 385 S CB -1.438 61.770 63.200 0.012 0.000 1.291 385 S HN 0.476 nan 8.310 nan 0.000 0.453 386 L N 0.080 121.322 121.223 0.032 0.000 2.011 386 L HA -0.245 4.094 4.340 -0.001 0.000 0.225 386 L C 2.620 179.586 176.870 0.160 0.000 1.084 386 L CA 2.693 57.557 54.840 0.042 0.000 0.791 386 L CB -0.686 41.309 42.059 -0.106 0.000 0.898 386 L HN 0.645 nan 8.230 nan 0.000 0.440 387 Y N 0.466 120.813 120.300 0.079 0.000 2.181 387 Y HA -0.170 4.379 4.550 -0.001 0.000 0.288 387 Y C 2.153 178.111 175.900 0.097 0.000 1.146 387 Y CA 1.472 59.678 58.100 0.177 0.000 1.164 387 Y CB -1.057 37.492 38.460 0.148 0.000 0.982 387 Y HN 0.156 nan 8.280 nan 0.000 0.515 388 G N 0.605 109.293 108.800 -0.187 0.000 2.516 388 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.221 388 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.221 388 G C 1.486 176.273 174.900 -0.188 0.000 1.107 388 G CA 1.164 46.096 45.100 -0.279 0.000 0.747 388 G HN 0.533 nan 8.290 nan 0.000 0.567 389 L N -0.294 120.874 121.223 -0.091 0.000 2.168 389 L HA 0.254 4.593 4.340 -0.001 0.000 0.203 389 L C 1.977 178.801 176.870 -0.076 0.000 1.078 389 L CA 1.363 56.178 54.840 -0.042 0.000 0.780 389 L CB -0.779 41.303 42.059 0.037 0.000 0.939 389 L HN 0.014 nan 8.230 nan 0.000 0.451 390 N N 0.356 119.035 118.700 -0.034 0.000 2.258 390 N HA -0.199 4.541 4.740 -0.001 0.000 0.187 390 N C 1.795 177.207 175.510 -0.162 0.000 1.012 390 N CA 1.792 54.824 53.050 -0.031 0.000 0.870 390 N CB -0.286 38.294 38.487 0.155 0.000 0.977 390 N HN 0.427 nan 8.380 nan 0.000 0.434 391 L N 0.760 121.807 121.223 -0.293 0.000 1.924 391 L HA -0.242 4.098 4.340 -0.001 0.000 0.222 391 L C 2.773 179.520 176.870 -0.205 0.000 1.081 391 L CA 2.112 56.780 54.840 -0.287 0.000 0.780 391 L CB -1.443 40.425 42.059 -0.318 0.000 0.891 391 L HN 0.296 nan 8.230 nan 0.000 0.434 392 T N -1.269 113.173 114.554 -0.186 0.000 2.778 392 T HA -0.259 4.091 4.350 -0.001 0.000 0.269 392 T C 1.785 176.313 174.700 -0.288 0.000 1.050 392 T CA 1.540 63.527 62.100 -0.190 0.000 1.137 392 T CB -0.686 68.097 68.868 -0.141 0.000 0.860 392 T HN 0.203 nan 8.240 nan 0.000 0.468 393 L N 1.332 122.382 121.223 -0.289 0.000 2.013 393 L HA -0.057 4.283 4.340 -0.001 0.000 0.212 393 L C 2.692 179.290 176.870 -0.453 0.000 1.073 393 L CA 1.682 56.303 54.840 -0.365 0.000 0.753 393 L CB -0.613 41.334 42.059 -0.188 0.000 0.890 393 L HN 0.180 nan 8.230 nan 0.000 0.432 394 R N 0.042 120.352 120.500 -0.317 0.000 2.082 394 R HA -0.083 4.257 4.340 -0.001 0.000 0.228 394 R C 0.622 176.743 176.300 -0.298 0.000 1.140 394 R CA 1.274 57.196 56.100 -0.297 0.000 0.920 394 R CB -0.573 29.623 30.300 -0.174 0.000 0.828 394 R HN 0.257 nan 8.270 nan 0.000 0.430 395 K N 0.883 121.151 120.400 -0.221 0.000 2.319 395 K HA 0.074 4.394 4.320 -0.001 0.000 0.277 395 K C 0.051 176.531 176.600 -0.199 0.000 1.111 395 K CA 0.602 56.783 56.287 -0.176 0.000 1.093 395 K CB 0.634 33.057 32.500 -0.129 0.000 0.910 395 K HN 0.478 nan 8.250 nan 0.000 0.452 396 A N 2.759 125.465 122.820 -0.189 0.000 3.256 396 A HA -0.124 4.196 4.320 -0.001 0.000 0.199 396 A C 0.202 177.689 177.584 -0.162 0.000 1.504 396 A CA -0.327 51.623 52.037 -0.146 0.000 2.066 396 A CB -0.658 18.241 19.000 -0.169 0.000 0.453 396 A HN 0.555 nan 8.150 nan 0.000 0.535 397 K N 1.350 121.546 120.400 -0.340 0.000 2.382 397 K HA 0.549 4.869 4.320 -0.001 0.000 0.275 397 K C 0.171 176.675 176.600 -0.161 0.000 1.009 397 K CA 0.457 56.507 56.287 -0.396 0.000 0.970 397 K CB 0.684 32.766 32.500 -0.696 0.000 0.934 397 K HN 0.911 nan 8.250 nan 0.000 0.479 398 A N 4.854 127.641 122.820 -0.055 0.000 2.301 398 A HA 0.346 4.666 4.320 -0.001 0.000 0.312 398 A C -1.671 175.897 177.584 -0.027 0.000 1.182 398 A CA -1.505 50.514 52.037 -0.029 0.000 0.826 398 A CB 0.552 19.553 19.000 0.003 0.000 1.134 398 A HN 0.781 nan 8.150 nan 0.000 0.501 399 P HA -0.097 nan 4.420 nan 0.000 0.242 399 P C 0.384 177.676 177.300 -0.013 0.000 1.198 399 P CA 1.228 64.311 63.100 -0.028 0.000 0.756 399 P CB -0.150 31.532 31.700 -0.030 0.000 0.911 400 S N -3.416 112.282 115.700 -0.003 0.000 3.482 400 S HA -0.109 4.360 4.470 -0.001 0.000 0.294 400 S C 0.503 175.103 174.600 -0.001 0.000 1.244 400 S CA 0.364 58.566 58.200 0.003 0.000 0.911 400 S CB -2.747 60.456 63.200 0.005 0.000 1.070 400 S HN 0.562 nan 8.310 nan 0.000 0.614 401 G N 0.911 109.708 108.800 -0.005 0.000 2.329 401 G HA2 0.585 4.545 3.960 -0.001 0.000 0.309 401 G HA3 0.585 4.545 3.960 -0.001 0.000 0.309 401 G C 0.136 175.035 174.900 -0.002 0.000 1.110 401 G CA -0.810 44.287 45.100 -0.004 0.000 0.923 401 G HN 0.766 nan 8.290 nan 0.000 0.430 402 L N 2.398 123.622 121.223 0.001 0.000 3.184 402 L HA -0.183 4.157 4.340 -0.001 0.000 0.355 402 L C 0.952 177.824 176.870 0.003 0.000 1.167 402 L CA 0.835 55.677 54.840 0.005 0.000 0.816 402 L CB 0.453 42.516 42.059 0.006 0.000 1.165 402 L HN 0.893 nan 8.230 nan 0.000 0.603 403 D N 0.881 121.283 120.400 0.004 0.000 2.292 403 D HA -0.098 4.541 4.640 -0.001 0.000 0.322 403 D C 1.190 177.496 176.300 0.010 0.000 1.087 403 D CA -0.098 53.903 54.000 0.002 0.000 0.857 403 D CB -0.051 40.744 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 0.019 0.000 2.331 404 Q HA 0.038 4.377 4.340 -0.001 0.000 0.203 404 Q C 1.174 177.200 176.000 0.042 0.000 0.944 404 Q CA 0.750 56.579 55.803 0.043 0.000 0.892 404 Q CB 0.080 28.858 28.738 0.067 0.000 0.983 404 Q HN 0.043 nan 8.270 nan 0.000 0.482 405 S N 0.601 116.319 115.700 0.029 0.000 2.428 405 S HA -0.127 4.343 4.470 -0.001 0.000 0.240 405 S C 0.357 174.972 174.600 0.025 0.000 1.036 405 S CA 1.176 59.390 58.200 0.024 0.000 1.009 405 S CB -0.016 63.194 63.200 0.016 0.000 0.803 405 S HN 0.276 nan 8.310 nan 0.000 0.486 406 R N 0.067 120.582 120.500 0.026 0.000 2.575 406 R HA 0.376 4.715 4.340 -0.001 0.000 0.292 406 R C -0.783 175.537 176.300 0.032 0.000 1.246 406 R CA -0.553 55.562 56.100 0.025 0.000 0.973 406 R CB 0.160 30.471 30.300 0.018 0.000 1.187 406 R HN 0.199 nan 8.270 nan 0.000 0.478 407 I N 3.874 124.470 120.570 0.043 0.000 3.494 407 I HA -0.302 3.868 4.170 -0.001 0.000 0.126 407 I C -1.450 174.705 176.117 0.063 0.000 0.972 407 I CA 0.418 61.753 61.300 0.058 0.000 2.750 407 I CB 0.073 38.100 38.000 0.046 0.000 1.121 407 I HN 0.430 nan 8.210 nan 0.000 0.344 408 P HA 0.127 nan 4.420 nan 0.000 0.219 408 P C 0.338 177.691 177.300 0.089 0.000 1.149 408 P CA 0.132 63.275 63.100 0.070 0.000 0.755 408 P CB 0.132 31.892 31.700 0.100 0.000 1.201 409 F N 0.812 120.768 119.950 0.011 0.000 2.047 409 F HA -0.052 4.475 4.527 -0.001 0.000 0.356 409 F C 1.753 177.560 175.800 0.010 0.000 1.028 409 F CA 1.706 59.712 58.000 0.010 0.000 0.820 409 F CB -1.046 37.958 39.000 0.007 0.000 0.684 409 F HN 0.212 nan 8.300 nan 0.000 0.478 410 S N -0.035 115.719 115.700 0.088 0.000 2.835 410 S HA -0.086 4.384 4.470 -0.001 0.000 0.085 410 S C 1.109 175.724 174.600 0.025 0.000 0.622 410 S CA 0.427 58.667 58.200 0.066 0.000 1.515 410 S CB -0.673 62.571 63.200 0.072 0.000 0.919 410 S HN 0.573 nan 8.310 nan 0.000 0.278 411 E N 0.533 120.737 120.200 0.007 0.000 2.444 411 E HA 0.273 4.623 4.350 -0.001 0.000 0.209 411 E C 0.597 177.180 176.600 -0.028 0.000 0.806 411 E CA -0.452 55.946 56.400 -0.004 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 2.547 123.016 120.500 -0.051 0.000 2.598 412 R HA -0.086 4.254 4.340 -0.001 0.000 0.266 412 R C -0.420 175.826 176.300 -0.091 0.000 0.977 412 R CA 0.890 56.938 56.100 -0.085 0.000 1.097 412 R CB 0.440 30.646 30.300 -0.156 0.000 0.911 412 R HN -0.103 nan 8.270 nan 0.000 0.419 413 K N 3.379 123.742 120.400 -0.061 0.000 2.139 413 K HA 0.326 4.646 4.320 -0.001 0.000 0.243 413 K C -0.079 176.512 176.600 -0.016 0.000 0.983 413 K CA -0.835 55.437 56.287 -0.026 0.000 0.890 413 K CB 0.968 33.468 32.500 0.000 0.000 1.090 413 K HN 0.398 nan 8.250 nan 0.000 0.445 414 L N 0.967 122.225 121.223 0.059 0.000 2.468 414 L HA 0.242 4.582 4.340 -0.001 0.000 0.253 414 L C 0.187 177.177 176.870 0.200 0.000 1.237 414 L CA -0.084 54.828 54.840 0.120 0.000 0.823 414 L CB -0.083 42.130 42.059 0.256 0.000 1.124 414 L HN 0.415 nan 8.230 nan 0.000 0.504 415 K N -0.080 120.446 120.400 0.211 0.000 2.469 415 K HA 0.574 4.894 4.320 -0.001 0.000 0.254 415 K C -1.219 175.580 176.600 0.331 0.000 0.939 415 K CA -0.625 55.821 56.287 0.266 0.000 0.812 415 K CB 2.334 34.889 32.500 0.092 0.000 1.301 415 K HN 0.182 nan 8.250 nan 0.000 0.433 416 F N 0.017 119.956 119.950 -0.019 0.000 3.255 416 F HA 0.525 5.052 4.527 -0.001 0.000 0.204 416 F C -0.044 175.741 175.800 -0.024 0.000 1.613 416 F CA -0.858 57.133 58.000 -0.015 0.000 0.925 416 F CB 0.751 39.740 39.000 -0.017 0.000 1.893 416 F HN 0.463 nan 8.300 nan 0.000 0.306 417 S N -0.336 115.521 115.700 0.262 0.000 2.520 417 S HA 0.102 4.572 4.470 -0.001 0.000 0.327 417 S C -1.427 173.227 174.600 0.090 0.000 0.591 417 S CA -0.625 57.633 58.200 0.097 0.000 0.675 417 S CB -1.178 62.046 63.200 0.041 0.000 1.031 417 S HN 0.633 nan 8.310 nan 0.000 0.558 418 N N 2.880 121.591 118.700 0.018 0.000 2.275 418 N HA 0.133 4.873 4.740 -0.001 0.000 0.236 418 N C 0.469 175.834 175.510 -0.242 0.000 1.154 418 N CA -0.713 52.315 53.050 -0.036 0.000 0.866 418 N CB 0.379 38.837 38.487 -0.049 0.000 1.093 418 N HN 0.691 nan 8.380 nan 0.000 0.515 419 R N 0.203 120.577 120.500 -0.210 0.000 2.827 419 R HA 0.166 4.505 4.340 -0.001 0.000 0.269 419 R C -0.761 175.399 176.300 -0.234 0.000 1.048 419 R CA 0.158 56.068 56.100 -0.317 0.000 1.173 419 R CB 0.176 30.392 30.300 -0.140 0.000 1.070 419 R HN -0.167 nan 8.270 nan 0.000 0.498 420 F N -0.018 119.944 119.950 0.020 0.000 2.461 420 F HA 0.527 5.053 4.527 -0.001 0.000 0.332 420 F C 0.424 176.228 175.800 0.006 0.000 1.073 420 F CA -1.331 56.679 58.000 0.016 0.000 1.017 420 F CB 0.530 39.537 39.000 0.013 0.000 1.301 420 F HN 0.267 nan 8.300 nan 0.000 0.492 421 L N 1.487 122.844 121.223 0.224 0.000 2.271 421 L HA 0.490 4.830 4.340 -0.001 0.000 0.265 421 L C -2.262 174.656 176.870 0.080 0.000 1.013 421 L CA -1.977 52.929 54.840 0.111 0.000 0.820 421 L CB 1.893 43.995 42.059 0.071 0.000 1.352 421 L HN 0.313 nan 8.230 nan 0.000 0.443 422 P HA 0.156 nan 4.420 nan 0.000 0.252 422 P C -1.109 176.237 177.300 0.076 0.000 1.727 422 P CA 0.039 63.188 63.100 0.082 0.000 1.134 422 P CB 0.280 32.069 31.700 0.148 0.000 1.876 423 V N 2.597 122.504 119.914 -0.011 0.000 2.610 423 V HA 0.237 4.357 4.120 -0.001 0.000 0.288 423 V C 1.303 177.330 176.094 -0.112 0.000 1.055 423 V CA -0.446 61.804 62.300 -0.083 0.000 0.902 423 V CB 1.306 33.019 31.823 -0.184 0.000 1.030 423 V HN 0.307 nan 8.190 nan 0.000 0.448 424 A N 3.490 126.240 122.820 -0.117 0.000 1.978 424 A HA 0.022 4.342 4.320 -0.001 0.000 0.220 424 A C 1.237 178.759 177.584 -0.103 0.000 1.170 424 A CA 1.684 53.637 52.037 -0.139 0.000 0.636 424 A CB -0.013 18.876 19.000 -0.184 0.000 0.810 424 A HN 0.682 nan 8.150 nan 0.000 0.448 425 S N -0.568 115.109 115.700 -0.039 0.000 2.704 425 S HA 0.553 5.022 4.470 -0.001 0.000 0.305 425 S C -2.770 171.880 174.600 0.083 0.000 1.107 425 S CA -1.187 57.051 58.200 0.064 0.000 0.993 425 S CB 1.631 65.000 63.200 0.281 0.000 1.110 425 S HN 0.251 nan 8.310 nan 0.000 0.534 426 P HA 0.362 nan 4.420 nan 0.000 0.207 426 P C -0.854 176.643 177.300 0.329 0.000 1.873 426 P CA -0.413 62.801 63.100 0.190 0.000 1.100 426 P CB -0.368 31.422 31.700 0.149 0.000 1.831 427 F N 1.780 121.743 119.950 0.021 0.000 2.586 427 F HA 0.011 4.537 4.527 -0.001 0.000 0.335 427 F C 1.930 177.724 175.800 -0.010 0.000 1.210 427 F CA 0.234 58.175 58.000 -0.098 0.000 1.359 427 F CB -0.755 38.140 39.000 -0.176 0.000 1.142 427 F HN 0.413 nan 8.300 nan 0.000 0.606 428 H N -0.774 118.428 119.070 0.222 0.000 2.514 428 H HA -0.130 4.425 4.556 -0.001 0.000 0.318 428 H C 0.209 175.650 175.328 0.188 0.000 0.994 428 H CA 0.514 56.664 56.048 0.170 0.000 1.056 428 H CB -1.459 28.408 29.762 0.176 0.000 1.621 428 H HN 0.527 nan 8.280 nan 0.000 0.360 429 S N -0.252 115.583 115.700 0.225 0.000 2.811 429 S HA 0.503 4.972 4.470 -0.001 0.000 0.311 429 S C 0.355 175.114 174.600 0.266 0.000 1.152 429 S CA -0.861 57.494 58.200 0.259 0.000 0.864 429 S CB 2.054 65.368 63.200 0.191 0.000 1.226 429 S HN 0.398 nan 8.310 nan 0.000 0.541 430 H N 0.197 119.299 119.070 0.053 0.000 2.520 430 H HA 0.441 4.997 4.556 -0.001 0.000 0.284 430 H C 0.671 176.001 175.328 0.003 0.000 1.037 430 H CA 0.477 56.542 56.048 0.027 0.000 1.168 430 H CB 0.028 29.801 29.762 0.018 0.000 1.497 430 H HN 0.530 nan 8.280 nan 0.000 0.547 431 L N -3.590 117.696 121.223 0.106 0.000 3.500 431 L HA 0.340 4.680 4.340 -0.001 0.000 0.320 431 L C -0.163 176.735 176.870 0.047 0.000 1.205 431 L CA -0.147 54.719 54.840 0.042 0.000 1.117 431 L CB 0.531 42.588 42.059 -0.003 0.000 1.542 431 L HN -0.051 nan 8.230 nan 0.000 0.622 432 L N 1.742 122.999 121.223 0.057 0.000 2.828 432 L HA 0.507 4.847 4.340 -0.001 0.000 0.233 432 L C -0.025 176.850 176.870 0.009 0.000 1.250 432 L CA 0.188 55.049 54.840 0.035 0.000 1.125 432 L CB 0.751 42.831 42.059 0.035 0.000 1.432 432 L HN 0.091 nan 8.230 nan 0.000 0.444 433 V N 0.405 120.323 119.914 0.006 0.000 3.177 433 V HA 0.182 4.301 4.120 -0.001 0.000 0.220 433 V C -1.145 174.949 176.094 0.000 0.000 1.395 433 V CA 0.494 62.792 62.300 -0.004 0.000 1.317 433 V CB -0.336 31.477 31.823 -0.017 0.000 1.148 433 V HN 0.327 nan 8.190 nan 0.000 0.499 434 P HA -0.171 nan 4.420 nan 0.000 0.219 434 P C 1.077 178.387 177.300 0.016 0.000 1.144 434 P CA 2.267 65.371 63.100 0.008 0.000 0.806 434 P CB 0.122 31.828 31.700 0.009 0.000 0.771 435 A N -0.260 122.571 122.820 0.019 0.000 2.252 435 A HA 0.090 4.409 4.320 -0.001 0.000 0.213 435 A C 2.343 179.942 177.584 0.026 0.000 1.188 435 A CA 0.801 52.856 52.037 0.029 0.000 0.863 435 A CB -0.774 18.247 19.000 0.034 0.000 0.893 435 A HN 0.313 nan 8.150 nan 0.000 0.495 436 S N 1.048 116.754 115.700 0.010 0.000 2.365 436 S HA -0.303 4.166 4.470 -0.001 0.000 0.221 436 S C 1.813 176.420 174.600 0.013 0.000 1.037 436 S CA 1.673 59.874 58.200 0.002 0.000 1.060 436 S CB -0.827 62.367 63.200 -0.010 0.000 0.974 436 S HN 0.527 nan 8.310 nan 0.000 0.427 437 D N 1.338 121.744 120.400 0.011 0.000 2.172 437 D HA -0.147 4.492 4.640 -0.001 0.000 0.196 437 D C 1.992 178.306 176.300 0.023 0.000 0.999 437 D CA 1.366 55.373 54.000 0.012 0.000 0.856 437 D CB -0.438 40.367 40.800 0.009 0.000 0.934 437 D HN 0.486 nan 8.370 nan 0.000 0.453 438 L N 0.985 122.230 121.223 0.036 0.000 2.013 438 L HA -0.213 4.127 4.340 -0.001 0.000 0.212 438 L C 2.759 179.673 176.870 0.074 0.000 1.073 438 L CA 1.558 56.431 54.840 0.055 0.000 0.753 438 L CB -0.454 41.647 42.059 0.070 0.000 0.890 438 L HN 0.221 nan 8.230 nan 0.000 0.432 439 I N -2.701 117.921 120.570 0.087 0.000 2.264 439 I HA -0.289 3.881 4.170 -0.001 0.000 0.248 439 I C 2.207 178.341 176.117 0.027 0.000 1.111 439 I CA 1.568 62.937 61.300 0.114 0.000 1.382 439 I CB -0.725 37.346 38.000 0.118 0.000 1.060 439 I HN 0.297 nan 8.210 nan 0.000 0.418 440 N N 2.246 120.954 118.700 0.012 0.000 2.037 440 N HA -0.225 4.515 4.740 -0.001 0.000 0.196 440 N C 1.824 177.316 175.510 -0.030 0.000 1.034 440 N CA 2.118 55.162 53.050 -0.010 0.000 0.861 440 N CB -0.336 38.149 38.487 -0.003 0.000 1.039 440 N HN 0.581 nan 8.380 nan 0.000 0.427 441 K N 0.661 121.051 120.400 -0.018 0.000 2.057 441 K HA -0.061 4.259 4.320 -0.001 0.000 0.206 441 K C 1.208 177.762 176.600 -0.075 0.000 1.050 441 K CA 0.799 57.069 56.287 -0.029 0.000 0.935 441 K CB -0.068 32.430 32.500 -0.004 0.000 0.715 441 K HN 0.182 nan 8.250 nan 0.000 0.439 442 D N 1.176 121.529 120.400 -0.078 0.000 2.354 442 D HA -0.130 4.510 4.640 -0.001 0.000 0.216 442 D C 1.782 177.779 176.300 -0.504 0.000 0.970 442 D CA 0.871 54.721 54.000 -0.250 0.000 0.905 442 D CB 0.081 40.860 40.800 -0.035 0.000 0.903 442 D HN 0.204 nan 8.370 nan 0.000 0.508 443 L N -0.055 121.005 121.223 -0.271 0.000 2.013 443 L HA -0.108 4.232 4.340 -0.001 0.000 0.204 443 L C 2.610 179.372 176.870 -0.180 0.000 1.081 443 L CA 0.469 55.168 54.840 -0.235 0.000 0.751 443 L CB -0.662 41.325 42.059 -0.119 0.000 0.901 443 L HN -0.123 nan 8.230 nan 0.000 0.440 444 V N 0.090 119.940 119.914 -0.107 0.000 2.324 444 V HA -0.325 3.794 4.120 -0.001 0.000 0.250 444 V C 1.967 178.010 176.094 -0.085 0.000 1.060 444 V CA 1.784 64.046 62.300 -0.064 0.000 1.042 444 V CB -0.881 30.920 31.823 -0.037 0.000 0.650 444 V HN 0.421 nan 8.190 nan 0.000 0.450 445 K N 1.131 121.461 120.400 -0.116 0.000 2.703 445 K HA -0.080 4.239 4.320 -0.001 0.000 0.197 445 K C -0.012 176.508 176.600 -0.133 0.000 1.016 445 K CA 0.520 56.740 56.287 -0.111 0.000 0.981 445 K CB -0.385 32.047 32.500 -0.113 0.000 0.805 445 K HN 0.531 nan 8.250 nan 0.000 0.490 446 N N 1.248 119.866 118.700 -0.138 0.000 2.824 446 N HA 0.012 4.752 4.740 -0.001 0.000 0.224 446 N C -1.238 174.231 175.510 -0.068 0.000 1.418 446 N CA -0.313 52.663 53.050 -0.123 0.000 0.743 446 N CB 0.692 39.055 38.487 -0.207 0.000 1.395 446 N HN 0.004 nan 8.380 nan 0.000 0.548 447 N N 0.983 119.666 118.700 -0.029 0.000 3.077 447 N HA -0.125 4.614 4.740 -0.001 0.000 0.290 447 N C 0.645 176.199 175.510 0.073 0.000 1.157 447 N CA 0.697 53.757 53.050 0.016 0.000 0.907 447 N CB 0.086 38.578 38.487 0.008 0.000 0.907 447 N HN 0.344 nan 8.380 nan 0.000 0.624 448 V N -1.897 118.073 119.914 0.093 0.000 3.195 448 V HA -0.046 4.074 4.120 -0.001 0.000 0.256 448 V C 0.701 176.843 176.094 0.080 0.000 1.735 448 V CA 0.202 62.597 62.300 0.157 0.000 1.017 448 V CB 0.187 32.019 31.823 0.015 0.000 0.897 448 V HN 0.452 nan 8.190 nan 0.000 0.387 449 S N 2.714 118.430 115.700 0.027 0.000 3.716 449 S HA 0.279 4.749 4.470 -0.001 0.000 0.254 449 S C 0.364 175.012 174.600 0.079 0.000 1.209 449 S CA 0.029 58.210 58.200 -0.032 0.000 1.026 449 S CB -0.911 62.258 63.200 -0.053 0.000 1.625 449 S HN 0.616 nan 8.310 nan 0.000 0.500 450 F N 0.316 120.253 119.950 -0.022 0.000 2.060 450 F HA 0.542 5.069 4.527 -0.001 0.000 0.218 450 F C 0.123 175.921 175.800 -0.005 0.000 1.186 450 F CA -0.761 57.231 58.000 -0.013 0.000 1.281 450 F CB -0.364 38.630 39.000 -0.009 0.000 1.741 450 F HN 0.337 nan 8.300 nan 0.000 0.359 451 N N 1.234 120.014 118.700 0.134 0.000 2.792 451 N HA -0.087 4.653 4.740 -0.001 0.000 0.258 451 N C -0.224 175.415 175.510 0.214 0.000 1.118 451 N CA 0.489 53.596 53.050 0.095 0.000 0.672 451 N CB -1.256 37.198 38.487 -0.056 0.000 0.913 451 N HN 0.862 nan 8.380 nan 0.000 0.562 452 A N 1.141 124.159 122.820 0.329 0.000 2.495 452 A HA 0.220 4.540 4.320 -0.001 0.000 0.260 452 A C 1.361 179.010 177.584 0.108 0.000 1.608 452 A CA 0.151 52.288 52.037 0.166 0.000 0.834 452 A CB 0.216 19.281 19.000 0.108 0.000 1.526 452 A HN 0.226 nan 8.150 nan 0.000 0.578 453 K N 0.540 120.980 120.400 0.068 0.000 2.632 453 K HA -0.035 4.285 4.320 -0.001 0.000 0.196 453 K C 0.036 176.669 176.600 0.054 0.000 1.023 453 K CA 0.314 56.630 56.287 0.049 0.000 1.098 453 K CB -0.626 31.891 32.500 0.028 0.000 0.862 453 K HN 0.520 nan 8.250 nan 0.000 0.504 454 D N 0.532 120.982 120.400 0.082 0.000 2.378 454 D HA -0.058 4.581 4.640 -0.001 0.000 0.227 454 D C 0.531 176.878 176.300 0.078 0.000 1.012 454 D CA 0.179 54.231 54.000 0.086 0.000 0.905 454 D CB 0.153 41.034 40.800 0.135 0.000 0.895 454 D HN 0.262 nan 8.370 nan 0.000 0.532 455 I N 2.765 123.375 120.570 0.067 0.000 2.996 455 I HA -0.168 4.001 4.170 -0.001 0.000 0.285 455 I C 1.743 177.892 176.117 0.052 0.000 1.173 455 I CA 0.038 61.373 61.300 0.057 0.000 1.396 455 I CB 0.206 38.232 38.000 0.044 0.000 1.470 455 I HN -0.116 nan 8.210 nan 0.000 0.586 456 Q N 6.055 125.892 119.800 0.061 0.000 1.579 456 Q HA -0.076 4.263 4.340 -0.001 0.000 0.490 456 Q C 1.009 177.040 176.000 0.052 0.000 0.970 456 Q CA 1.238 57.075 55.803 0.056 0.000 0.898 456 Q CB -0.202 28.578 28.738 0.071 0.000 0.936 456 Q HN 0.755 nan 8.270 nan 0.000 0.385 457 I N -0.354 120.256 120.570 0.065 0.000 3.138 457 I HA 0.172 4.342 4.170 -0.001 0.000 0.288 457 I C -2.055 174.110 176.117 0.079 0.000 1.148 457 I CA -2.090 59.251 61.300 0.069 0.000 1.315 457 I CB -0.252 37.797 38.000 0.082 0.000 1.426 457 I HN -0.005 nan 8.210 nan 0.000 0.615 458 P HA 0.181 nan 4.420 nan 0.000 0.273 458 P C -0.616 176.807 177.300 0.204 0.000 1.428 458 P CA -0.147 63.007 63.100 0.090 0.000 0.995 458 P CB 0.687 32.425 31.700 0.063 0.000 1.286 459 V N 5.863 125.869 119.914 0.155 0.000 2.326 459 V HA 0.030 4.150 4.120 -0.001 0.000 0.249 459 V C 0.410 176.649 176.094 0.240 0.000 1.114 459 V CA -0.374 62.057 62.300 0.219 0.000 1.028 459 V CB -1.762 30.141 31.823 0.133 0.000 1.170 459 V HN 0.437 nan 8.190 nan 0.000 0.494 460 Y N 1.963 122.348 120.300 0.142 0.000 2.861 460 Y HA -0.064 4.486 4.550 -0.001 0.000 0.344 460 Y C 1.260 177.193 175.900 0.055 0.000 1.272 460 Y CA 0.513 58.676 58.100 0.105 0.000 1.502 460 Y CB 0.093 38.625 38.460 0.120 0.000 1.333 460 Y HN 0.535 nan 8.280 nan 0.000 0.634 461 D N -0.047 120.443 120.400 0.150 0.000 2.414 461 D HA 0.070 4.710 4.640 -0.001 0.000 0.251 461 D C 0.744 177.103 176.300 0.098 0.000 1.252 461 D CA 0.148 54.217 54.000 0.115 0.000 0.999 461 D CB 1.170 42.034 40.800 0.108 0.000 1.093 461 D HN 0.594 nan 8.370 nan 0.000 0.515 462 T N -0.199 114.427 114.554 0.121 0.000 3.067 462 T HA 0.034 4.383 4.350 -0.001 0.000 0.257 462 T C -0.002 174.737 174.700 0.065 0.000 1.105 462 T CA 0.411 62.570 62.100 0.100 0.000 1.104 462 T CB 0.142 69.103 68.868 0.155 0.000 0.925 462 T HN 0.157 nan 8.240 nan 0.000 0.498 463 F N 2.624 122.599 119.950 0.042 0.000 2.745 463 F HA 0.321 4.848 4.527 -0.001 0.000 0.343 463 F C -0.880 174.930 175.800 0.017 0.000 1.196 463 F CA -1.829 56.189 58.000 0.031 0.000 1.021 463 F CB 0.670 39.692 39.000 0.037 0.000 1.297 463 F HN -0.061 nan 8.300 nan 0.000 0.486 464 D N 3.147 123.724 120.400 0.295 0.000 6.041 464 D HA -0.148 4.492 4.640 -0.001 0.000 0.239 464 D C 0.189 176.549 176.300 0.101 0.000 1.667 464 D CA 0.852 54.958 54.000 0.176 0.000 1.478 464 D CB 0.062 40.961 40.800 0.165 0.000 0.683 464 D HN 0.917 nan 8.370 nan 0.000 0.375 465 G N 3.271 112.134 108.800 0.106 0.000 2.687 465 G HA2 0.336 4.296 3.960 -0.001 0.000 0.288 465 G HA3 0.336 4.296 3.960 -0.001 0.000 0.288 465 G C 0.585 175.336 174.900 -0.249 0.000 0.713 465 G CA 0.585 45.733 45.100 0.081 0.000 2.023 465 G HN 0.547 nan 8.290 nan 0.000 0.529 466 S N 0.870 116.454 115.700 -0.194 0.000 2.537 466 S HA 0.278 4.747 4.470 -0.001 0.000 0.301 466 S C 0.807 175.266 174.600 -0.236 0.000 1.092 466 S CA -0.726 57.358 58.200 -0.194 0.000 1.048 466 S CB 2.153 65.307 63.200 -0.077 0.000 1.053 466 S HN 0.414 nan 8.310 nan 0.000 0.501 467 D N 0.353 120.627 120.400 -0.211 0.000 2.421 467 D HA -0.161 4.478 4.640 -0.001 0.000 0.223 467 D C 1.148 177.412 176.300 -0.061 0.000 0.979 467 D CA 0.816 54.730 54.000 -0.144 0.000 0.959 467 D CB -0.317 40.433 40.800 -0.084 0.000 0.874 467 D HN 0.759 nan 8.370 nan 0.000 0.513 468 L N -0.795 120.397 121.223 -0.051 0.000 5.279 468 L HA -0.264 4.076 4.340 -0.001 0.000 0.428 468 L C 0.045 176.915 176.870 -0.000 0.000 0.974 468 L CA 1.213 56.050 54.840 -0.005 0.000 1.338 468 L CB -1.063 41.010 42.059 0.022 0.000 1.740 468 L HN 0.039 nan 8.230 nan 0.000 0.657 469 R N -0.124 120.370 120.500 -0.009 0.000 2.280 469 R HA 0.667 5.007 4.340 -0.001 0.000 0.326 469 R C -0.053 176.243 176.300 -0.007 0.000 1.080 469 R CA 0.346 56.446 56.100 -0.000 0.000 1.002 469 R CB 0.298 30.601 30.300 0.005 0.000 1.136 469 R HN 0.043 nan 8.270 nan 0.000 0.509 470 V N 5.339 125.251 119.914 -0.004 0.000 3.590 470 V HA 0.051 4.171 4.120 -0.001 0.000 0.389 470 V C 0.578 176.671 176.094 -0.001 0.000 1.545 470 V CA -0.289 62.007 62.300 -0.007 0.000 1.448 470 V CB -0.464 31.352 31.823 -0.012 0.000 1.105 470 V HN 0.638 nan 8.190 nan 0.000 0.537 471 L N 1.771 122.997 121.223 0.005 0.000 5.815 471 L HA -0.436 3.903 4.340 -0.001 0.000 0.053 471 L C 1.725 178.598 176.870 0.005 0.000 1.954 471 L CA 2.875 57.720 54.840 0.008 0.000 1.859 471 L CB -0.953 41.111 42.059 0.008 0.000 2.528 471 L HN 1.624 nan 8.230 nan 0.000 0.918 472 S N -3.285 112.417 115.700 0.004 0.000 3.225 472 S HA -0.153 4.316 4.470 -0.001 0.000 0.308 472 S C 0.894 175.495 174.600 0.001 0.000 1.270 472 S CA 1.808 60.008 58.200 0.001 0.000 1.011 472 S CB -2.529 60.669 63.200 -0.003 0.000 1.138 472 S HN 2.305 nan 8.310 nan 0.000 0.661 473 G N -1.444 107.360 108.800 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 0.493 175.399 174.900 0.011 0.000 1.126 473 G CA 0.643 45.747 45.100 0.006 0.000 0.877 473 G HN 1.283 nan 8.290 nan 0.000 0.556 474 S N -0.564 115.146 115.700 0.016 0.000 2.524 474 S HA -0.354 4.115 4.470 -0.001 0.000 0.249 474 S C 1.687 176.301 174.600 0.025 0.000 1.261 474 S CA 1.687 59.902 58.200 0.025 0.000 1.551 474 S CB -1.227 61.986 63.200 0.022 0.000 1.976 474 S HN 1.299 nan 8.310 nan 0.000 0.639 475 I N -1.330 119.251 120.570 0.018 0.000 4.327 475 I HA -0.342 3.827 4.170 -0.001 0.000 0.074 475 I C 1.010 177.133 176.117 0.009 0.000 0.569 475 I CA 1.599 62.910 61.300 0.017 0.000 1.123 475 I CB -1.806 36.206 38.000 0.020 0.000 1.000 475 I HN 0.629 nan 8.210 nan 0.000 0.171 476 S N 0.748 116.450 115.700 0.003 0.000 3.033 476 S HA 0.210 4.680 4.470 -0.001 0.000 0.258 476 S C 0.722 175.318 174.600 -0.006 0.000 1.207 476 S CA 0.911 59.104 58.200 -0.011 0.000 1.248 476 S CB 0.334 63.519 63.200 -0.024 0.000 0.932 476 S HN 0.728 nan 8.310 nan 0.000 0.472 477 E N -0.277 119.924 120.200 0.002 0.000 2.629 477 E HA 0.125 4.475 4.350 -0.001 0.000 0.203 477 E C 1.485 178.091 176.600 0.009 0.000 0.939 477 E CA -0.012 56.390 56.400 0.003 0.000 1.439 477 E CB 0.309 30.011 29.700 0.004 0.000 1.490 477 E HN 0.393 nan 8.360 nan 0.000 0.804 478 R N 0.616 121.125 120.500 0.015 0.000 2.164 478 R HA 0.221 4.561 4.340 -0.001 0.000 0.198 478 R C 1.208 177.530 176.300 0.036 0.000 1.028 478 R CA 0.639 56.756 56.100 0.028 0.000 1.083 478 R CB 0.055 30.374 30.300 0.031 0.000 1.026 478 R HN 0.059 nan 8.270 nan 0.000 0.514 479 I N 1.727 122.313 120.570 0.027 0.000 3.518 479 I HA -0.014 4.155 4.170 -0.001 0.000 0.305 479 I C 0.464 176.586 176.117 0.009 0.000 1.204 479 I CA 0.539 61.855 61.300 0.027 0.000 1.211 479 I CB -0.565 37.444 38.000 0.014 0.000 1.018 479 I HN 0.088 nan 8.210 nan 0.000 0.500 480 V N -0.525 119.394 119.914 0.009 0.000 3.279 480 V HA 0.023 4.142 4.120 -0.001 0.000 0.213 480 V C 1.866 177.956 176.094 -0.006 0.000 1.335 480 V CA 0.309 62.601 62.300 -0.013 0.000 1.317 480 V CB 0.442 32.260 31.823 -0.009 0.000 1.209 480 V HN 0.256 nan 8.190 nan 0.000 0.525 481 D N 0.583 120.993 120.400 0.018 0.000 2.269 481 D HA -0.144 4.496 4.640 -0.001 0.000 0.208 481 D C 1.963 178.314 176.300 0.085 0.000 0.963 481 D CA 1.754 55.775 54.000 0.035 0.000 0.864 481 D CB 0.278 41.095 40.800 0.029 0.000 0.936 481 D HN 0.649 nan 8.370 nan 0.000 0.505 482 C N -0.820 118.542 119.300 0.103 0.000 2.481 482 C HA 0.256 4.715 4.460 -0.001 0.000 0.275 482 C C 2.352 177.477 174.990 0.225 0.000 1.419 482 C CA -0.553 58.573 59.018 0.179 0.000 1.773 482 C CB -1.087 26.750 27.740 0.162 0.000 1.862 482 C HN 0.219 nan 8.230 nan 0.000 0.530 483 I N 1.387 122.016 120.570 0.099 0.000 3.649 483 I HA 0.202 4.372 4.170 -0.001 0.000 0.234 483 I C 1.587 177.551 176.117 -0.254 0.000 1.053 483 I CA 0.343 61.601 61.300 -0.070 0.000 1.538 483 I CB -0.017 37.883 38.000 -0.166 0.000 1.445 483 I HN 0.172 nan 8.210 nan 0.000 0.464 484 I N 0.077 120.523 120.570 -0.207 0.000 2.882 484 I HA 0.202 4.372 4.170 -0.001 0.000 0.276 484 I C 0.746 176.846 176.117 -0.028 0.000 1.096 484 I CA 0.427 61.627 61.300 -0.166 0.000 1.872 484 I CB -0.200 37.700 38.000 -0.166 0.000 1.383 484 I HN 0.421 nan 8.210 nan 0.000 0.758 485 R N 1.831 122.364 120.500 0.056 0.000 2.721 485 R HA 0.287 4.627 4.340 -0.001 0.000 0.030 485 R C -0.863 175.539 176.300 0.169 0.000 0.818 485 R CA 0.184 56.336 56.100 0.087 0.000 3.192 485 R CB -0.101 30.224 30.300 0.041 0.000 0.977 485 R HN 0.381 nan 8.270 nan 0.000 0.543 486 L N 3.178 124.537 121.223 0.228 0.000 2.379 486 L HA 0.549 4.888 4.340 -0.001 0.000 0.269 486 L C -1.864 175.200 176.870 0.324 0.000 1.084 486 L CA -2.259 52.761 54.840 0.300 0.000 0.802 486 L CB 1.314 43.582 42.059 0.349 0.000 1.175 486 L HN 0.160 nan 8.230 nan 0.000 0.448 487 P HA -0.013 nan 4.420 nan 0.000 0.313 487 P C 0.348 177.537 177.300 -0.185 0.000 1.332 487 P CA -0.182 62.921 63.100 0.005 0.000 0.777 487 P CB 0.583 32.292 31.700 0.016 0.000 1.599 488 V N -2.667 117.083 119.914 -0.274 0.000 3.193 488 V HA 0.086 4.206 4.120 -0.001 0.000 0.237 488 V C 0.782 176.722 176.094 -0.257 0.000 1.447 488 V CA 0.111 62.293 62.300 -0.197 0.000 1.227 488 V CB -0.629 31.222 31.823 0.046 0.000 1.040 488 V HN 0.484 nan 8.190 nan 0.000 0.458 489 K N -0.057 120.204 120.400 -0.232 0.000 2.927 489 K HA -0.351 3.968 4.320 -0.001 0.000 0.265 489 K C 1.220 177.804 176.600 -0.027 0.000 1.037 489 K CA 1.018 57.200 56.287 -0.174 0.000 0.783 489 K CB -1.080 31.211 32.500 -0.348 0.000 1.211 489 K HN 0.703 nan 8.250 nan 0.000 0.470 490 W N 1.206 122.405 121.300 -0.168 0.000 2.082 490 W HA -0.434 4.226 4.660 -0.001 0.000 0.357 490 W C 1.427 177.854 176.519 -0.153 0.000 1.615 490 W CA 2.692 59.948 57.345 -0.148 0.000 1.766 490 W CB -0.911 28.447 29.460 -0.170 0.000 0.975 490 W HN 0.433 nan 8.180 nan 0.000 0.469 491 E N -1.265 119.090 120.200 0.258 0.000 2.233 491 E HA -0.234 4.115 4.350 -0.001 0.000 0.199 491 E C 1.941 178.516 176.600 -0.041 0.000 1.004 491 E CA 2.343 58.819 56.400 0.127 0.000 0.819 491 E CB -0.282 29.466 29.700 0.080 0.000 0.738 491 E HN 0.351 nan 8.360 nan 0.000 0.478 492 T N -0.697 113.816 114.554 -0.069 0.000 3.014 492 T HA -0.038 4.312 4.350 -0.001 0.000 0.263 492 T C 1.796 176.403 174.700 -0.155 0.000 1.078 492 T CA 1.026 63.077 62.100 -0.082 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 2.093 116.476 114.554 -0.284 0.000 3.043 493 T HA -0.050 4.300 4.350 -0.001 0.000 0.263 493 T C 2.346 176.603 174.700 -0.738 0.000 1.094 493 T CA 1.390 63.252 62.100 -0.397 0.000 1.127 493 T CB -0.308 68.272 68.868 -0.479 0.000 0.905 493 T HN 0.667 nan 8.240 nan 0.000 0.490 494 T N 2.039 116.107 114.554 -0.810 0.000 2.559 494 T HA -0.164 4.186 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 1.032 62.485 62.100 -1.079 0.000 1.231 494 T CB -1.059 67.520 68.868 -0.482 0.000 0.881 494 T HN 0.567 nan 8.240 nan 0.000 0.397 495 Q N 1.441 120.983 119.800 -0.430 0.000 2.368 495 Q HA -0.196 4.144 4.340 -0.001 0.000 0.352 495 Q C -0.762 175.173 176.000 -0.109 0.000 1.301 495 Q CA 0.210 55.906 55.803 -0.178 0.000 1.059 495 Q CB -2.587 26.120 28.738 -0.052 0.000 1.281 495 Q HN 0.708 nan 8.270 nan 0.000 0.406 496 F N 0.296 120.161 119.950 -0.141 0.000 2.408 496 F HA 0.383 4.910 4.527 -0.001 0.000 0.325 496 F C 1.062 176.816 175.800 -0.076 0.000 1.082 496 F CA -1.413 56.480 58.000 -0.177 0.000 1.032 496 F CB 1.239 40.103 39.000 -0.227 0.000 1.259 496 F HN -0.021 nan 8.300 nan 0.000 0.503 497 K N 2.128 122.624 120.400 0.160 0.000 2.724 497 K HA 0.504 4.824 4.320 -0.001 0.000 0.198 497 K C -0.650 175.947 176.600 -0.004 0.000 1.099 497 K CA -0.306 56.020 56.287 0.065 0.000 1.025 497 K CB 1.034 33.570 32.500 0.060 0.000 1.509 497 K HN 0.564 nan 8.250 nan 0.000 0.564 498 A N 0.019 122.837 122.820 -0.003 0.000 2.284 498 A HA 0.628 4.947 4.320 -0.001 0.000 0.317 498 A C 0.582 178.108 177.584 -0.098 0.000 1.120 498 A CA -0.391 51.604 52.037 -0.070 0.000 0.900 498 A CB 1.014 19.974 19.000 -0.067 0.000 1.319 498 A HN 0.289 nan 8.150 nan 0.000 0.494 499 T N -0.623 113.819 114.554 -0.185 0.000 2.992 499 T HA 0.296 4.646 4.350 -0.001 0.000 0.255 499 T C -0.140 174.246 174.700 -0.524 0.000 0.938 499 T CA 0.322 62.196 62.100 -0.376 0.000 0.895 499 T CB -0.044 68.506 68.868 -0.530 0.000 1.221 499 T HN 0.699 nan 8.240 nan 0.000 0.512 500 H N -0.419 118.655 119.070 0.007 0.000 2.990 500 H HA 0.637 5.192 4.556 -0.001 0.000 0.336 500 H C -1.273 174.061 175.328 0.009 0.000 1.306 500 H CA -1.160 54.900 56.048 0.019 0.000 1.118 500 H CB 1.316 31.108 29.762 0.050 0.000 1.856 500 H HN 0.036 nan 8.280 nan 0.000 0.538 501 I N 2.039 122.705 120.570 0.161 0.000 2.586 501 I HA 0.124 4.293 4.170 -0.001 0.000 0.288 501 I C -0.783 175.349 176.117 0.025 0.000 1.147 501 I CA -0.392 60.959 61.300 0.085 0.000 1.047 501 I CB 2.390 40.453 38.000 0.106 0.000 1.244 501 I HN 0.111 nan 8.210 nan 0.000 0.429 502 L N 5.473 126.693 121.223 -0.006 0.000 2.259 502 L HA 0.366 4.706 4.340 -0.001 0.000 0.288 502 L C -0.941 175.678 176.870 -0.419 0.000 1.051 502 L CA -0.219 54.491 54.840 -0.217 0.000 0.824 502 L CB 0.926 42.899 42.059 -0.143 0.000 1.206 502 L HN 0.527 nan 8.230 nan 0.000 0.429 503 D N 3.006 123.119 120.400 -0.479 0.000 2.392 503 D HA 0.253 4.892 4.640 -0.001 0.000 0.228 503 D C 0.178 176.145 176.300 -0.555 0.000 1.074 503 D CA -0.185 53.571 54.000 -0.406 0.000 0.838 503 D CB 0.829 41.535 40.800 -0.157 0.000 1.067 503 D HN 0.230 nan 8.370 nan 0.000 0.511 504 F N 1.008 120.749 119.950 -0.349 0.000 2.676 504 F HA 0.256 4.783 4.527 -0.001 0.000 0.300 504 F C 1.815 177.554 175.800 -0.102 0.000 1.160 504 F CA -0.790 57.091 58.000 -0.199 0.000 1.401 504 F CB -0.162 38.816 39.000 -0.037 0.000 1.037 504 F HN 0.301 nan 8.300 nan 0.000 0.522 505 G N 2.704 111.492 108.800 -0.021 0.000 2.349 505 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.232 505 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.232 505 G C -1.965 172.954 174.900 0.031 0.000 1.240 505 G CA -0.916 44.209 45.100 0.042 0.000 0.870 505 G HN 0.065 nan 8.290 nan 0.000 0.528 506 P HA 0.074 nan 4.420 nan 0.000 0.231 506 P C 0.898 178.197 177.300 -0.003 0.000 1.210 506 P CA 1.288 64.419 63.100 0.052 0.000 1.332 506 P CB -0.659 31.049 31.700 0.013 0.000 1.594 507 G N 2.201 111.000 108.800 -0.001 0.000 2.825 507 G HA2 0.183 4.143 3.960 -0.001 0.000 0.686 507 G HA3 0.183 4.143 3.960 -0.001 0.000 0.686 507 G C 0.273 175.123 174.900 -0.084 0.000 1.362 507 G CA -0.109 44.978 45.100 -0.020 0.000 0.975 507 G HN 0.781 nan 8.290 nan 0.000 0.594 508 G N 0.500 109.231 108.800 -0.115 0.000 2.909 508 G HA2 0.287 4.247 3.960 -0.001 0.000 0.385 508 G HA3 0.287 4.247 3.960 -0.001 0.000 0.385 508 G C 1.061 175.815 174.900 -0.245 0.000 1.436 508 G CA 0.988 45.983 45.100 -0.175 0.000 0.949 508 G HN 2.553 nan 8.290 nan 0.000 0.556 509 A N 0.034 122.681 122.820 -0.289 0.000 3.074 509 A HA 0.572 4.892 4.320 -0.001 0.000 0.251 509 A C 1.455 178.931 177.584 -0.180 0.000 1.695 509 A CA 1.247 53.104 52.037 -0.300 0.000 1.343 509 A CB -0.840 17.968 19.000 -0.319 0.000 1.078 509 A HN 2.253 nan 8.150 nan 0.000 0.644 510 S N -1.863 113.745 115.700 -0.153 0.000 2.760 510 S HA 0.224 4.693 4.470 -0.001 0.000 0.263 510 S C 0.719 175.252 174.600 -0.111 0.000 1.007 510 S CA 0.421 58.551 58.200 -0.116 0.000 1.358 510 S CB -0.357 62.793 63.200 -0.083 0.000 1.228 510 S HN 0.971 nan 8.310 nan 0.000 0.684 511 G N 1.681 110.412 108.800 -0.116 0.000 2.922 511 G HA2 0.581 4.540 3.960 -0.001 0.000 0.335 511 G HA3 0.581 4.540 3.960 -0.001 0.000 0.335 511 G C 0.609 175.445 174.900 -0.107 0.000 1.016 511 G CA -0.474 44.574 45.100 -0.087 0.000 1.306 511 G HN 0.476 nan 8.290 nan 0.000 0.465 512 L N 0.888 121.999 121.223 -0.187 0.000 5.147 512 L HA -0.368 3.972 4.340 -0.001 0.000 0.401 512 L C 2.862 179.619 176.870 -0.187 0.000 0.896 512 L CA 1.762 56.417 54.840 -0.309 0.000 2.095 512 L CB -1.540 40.358 42.059 -0.269 0.000 1.071 512 L HN 0.590 nan 8.230 nan 0.000 0.628 513 G N -0.218 108.517 108.800 -0.109 0.000 2.740 513 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.224 513 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.224 513 G C 1.220 176.089 174.900 -0.052 0.000 1.156 513 G CA 2.143 47.191 45.100 -0.087 0.000 0.766 513 G HN 0.348 nan 8.290 nan 0.000 0.623 514 V N 0.526 120.386 119.914 -0.090 0.000 2.500 514 V HA 0.048 4.167 4.120 -0.001 0.000 0.243 514 V C 2.502 178.561 176.094 -0.058 0.000 1.039 514 V CA 1.167 63.437 62.300 -0.049 0.000 1.053 514 V CB -0.371 31.392 31.823 -0.102 0.000 0.695 514 V HN 0.364 nan 8.190 nan 0.000 0.463 515 L N 1.153 122.277 121.223 -0.165 0.000 2.021 515 L HA -0.240 4.099 4.340 -0.001 0.000 0.215 515 L C 2.362 179.111 176.870 -0.201 0.000 1.074 515 L CA 2.855 57.551 54.840 -0.239 0.000 0.760 515 L CB -1.557 40.248 42.059 -0.423 0.000 0.889 515 L HN 0.415 nan 8.230 nan 0.000 0.433 516 T N -1.371 113.067 114.554 -0.194 0.000 2.685 516 T HA -0.342 4.008 4.350 -0.001 0.000 0.268 516 T C 1.723 176.499 174.700 0.126 0.000 1.034 516 T CA 2.027 64.158 62.100 0.051 0.000 1.149 516 T CB -0.730 68.296 68.868 0.263 0.000 0.860 516 T HN 0.741 nan 8.240 nan 0.000 0.449 517 H N 1.236 120.305 119.070 -0.001 0.000 2.270 517 H HA -0.042 4.514 4.556 -0.001 0.000 0.299 517 H C 2.583 177.908 175.328 -0.006 0.000 1.077 517 H CA 1.272 57.328 56.048 0.014 0.000 1.294 517 H CB 0.071 29.837 29.762 0.006 0.000 1.371 517 H HN 0.191 nan 8.280 nan 0.000 0.491 518 R N 0.256 120.857 120.500 0.169 0.000 2.222 518 R HA -0.266 4.074 4.340 -0.001 0.000 0.235 518 R C 2.223 178.574 176.300 0.085 0.000 1.112 518 R CA 2.007 58.141 56.100 0.057 0.000 0.897 518 R CB -0.693 29.577 30.300 -0.050 0.000 0.882 518 R HN 0.553 nan 8.270 nan 0.000 0.429 519 N N 0.990 119.715 118.700 0.041 0.000 2.111 519 N HA -0.168 4.572 4.740 -0.001 0.000 0.197 519 N C -0.060 175.488 175.510 0.063 0.000 1.011 519 N CA 1.497 54.573 53.050 0.044 0.000 0.880 519 N CB -0.091 38.430 38.487 0.057 0.000 1.031 519 N HN 0.366 nan 8.380 nan 0.000 0.444 520 K N 0.802 121.252 120.400 0.082 0.000 2.323 520 K HA 0.298 4.618 4.320 -0.001 0.000 0.259 520 K C -1.252 175.383 176.600 0.057 0.000 0.947 520 K CA -0.396 55.922 56.287 0.052 0.000 0.819 520 K CB 1.730 34.245 32.500 0.025 0.000 1.109 520 K HN -0.170 nan 8.250 nan 0.000 0.429 521 D N 1.560 121.992 120.400 0.054 0.000 2.443 521 D HA 0.314 4.954 4.640 -0.001 0.000 0.281 521 D C -0.177 176.145 176.300 0.037 0.000 1.210 521 D CA 0.071 54.116 54.000 0.075 0.000 0.875 521 D CB 1.075 41.939 40.800 0.105 0.000 1.125 521 D HN 0.795 nan 8.370 nan 0.000 0.503 522 G N 0.407 109.207 108.800 0.001 0.000 2.828 522 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.226 522 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.226 522 G C 0.445 175.337 174.900 -0.013 0.000 1.090 522 G CA -0.092 45.009 45.100 0.002 0.000 1.035 522 G HN 0.342 nan 8.290 nan 0.000 0.578 523 T N -0.870 113.662 114.554 -0.038 0.000 2.216 523 T HA 0.638 4.988 4.350 -0.001 0.000 0.155 523 T C 1.617 176.285 174.700 -0.053 0.000 0.727 523 T CA 0.405 62.483 62.100 -0.037 0.000 0.924 523 T CB -0.417 68.437 68.868 -0.023 0.000 2.801 523 T HN 1.057 nan 8.240 nan 0.000 0.375 524 G N 0.312 109.080 108.800 -0.053 0.000 2.597 524 G HA2 0.336 4.296 3.960 -0.001 0.000 0.283 524 G HA3 0.336 4.296 3.960 -0.001 0.000 0.283 524 G C 0.004 174.899 174.900 -0.009 0.000 1.319 524 G CA 0.207 45.289 45.100 -0.031 0.000 1.054 524 G HN 0.566 nan 8.290 nan 0.000 0.583 525 V N 0.725 120.708 119.914 0.114 0.000 3.157 525 V HA 0.155 4.275 4.120 -0.001 0.000 0.361 525 V C 0.216 176.377 176.094 0.111 0.000 1.421 525 V CA -0.551 61.826 62.300 0.128 0.000 1.213 525 V CB -0.146 31.828 31.823 0.252 0.000 1.164 525 V HN 0.821 nan 8.190 nan 0.000 0.559 526 R N 0.582 121.129 120.500 0.079 0.000 4.048 526 R HA -0.147 4.192 4.340 -0.001 0.000 0.110 526 R C -0.684 175.660 176.300 0.073 0.000 0.432 526 R CA 0.435 56.581 56.100 0.077 0.000 0.770 526 R CB -1.199 29.151 30.300 0.084 0.000 1.125 526 R HN 0.246 nan 8.270 nan 0.000 0.220 527 V N 5.485 125.411 119.914 0.020 0.000 2.628 527 V HA 0.527 4.646 4.120 -0.001 0.000 0.306 527 V C 1.058 177.096 176.094 -0.093 0.000 1.045 527 V CA -0.938 61.366 62.300 0.007 0.000 0.905 527 V CB 2.189 33.993 31.823 -0.031 0.000 0.997 527 V HN 0.694 nan 8.190 nan 0.000 0.436 528 I N 2.323 122.849 120.570 -0.074 0.000 3.205 528 I HA 0.438 4.607 4.170 -0.001 0.000 0.310 528 I C 0.663 176.629 176.117 -0.253 0.000 1.089 528 I CA -0.405 60.742 61.300 -0.254 0.000 1.023 528 I CB 2.392 40.179 38.000 -0.356 0.000 1.269 528 I HN 0.416 nan 8.210 nan 0.000 0.512 529 V N 1.794 121.499 119.914 -0.348 0.000 2.503 529 V HA 0.153 4.273 4.120 -0.001 0.000 0.163 529 V C 0.862 176.891 176.094 -0.109 0.000 1.062 529 V CA 0.399 62.544 62.300 -0.257 0.000 1.362 529 V CB -0.602 30.997 31.823 -0.374 0.000 0.864 529 V HN 0.825 nan 8.190 nan 0.000 0.451 530 A N -0.303 122.436 122.820 -0.135 0.000 2.521 530 A HA 0.434 4.754 4.320 -0.001 0.000 0.237 530 A C 0.838 178.424 177.584 0.005 0.000 1.087 530 A CA 0.685 52.769 52.037 0.079 0.000 0.777 530 A CB -1.144 17.969 19.000 0.189 0.000 1.035 530 A HN 2.264 nan 8.150 nan 0.000 0.510 531 G N -0.252 108.582 108.800 0.057 0.000 3.307 531 G HA2 0.078 4.038 3.960 -0.001 0.000 0.686 531 G HA3 0.078 4.038 3.960 -0.001 0.000 0.686 531 G C 0.125 175.074 174.900 0.083 0.000 0.983 531 G CA 0.061 45.181 45.100 0.033 0.000 0.804 531 G HN 1.444 nan 8.290 nan 0.000 0.531 532 T N 3.260 117.830 114.554 0.027 0.000 3.037 532 T HA 0.248 4.597 4.350 -0.001 0.000 0.251 532 T C 1.871 176.533 174.700 -0.064 0.000 1.079 532 T CA 0.323 62.387 62.100 -0.060 0.000 1.067 532 T CB 0.224 69.069 68.868 -0.037 0.000 0.948 532 T HN 0.633 nan 8.240 nan 0.000 0.496 533 L N 2.740 124.000 121.223 0.062 0.000 2.510 533 L HA 0.021 4.360 4.340 -0.001 0.000 0.300 533 L C 0.460 177.296 176.870 -0.056 0.000 1.283 533 L CA 0.672 55.554 54.840 0.070 0.000 0.834 533 L CB 0.361 42.494 42.059 0.124 0.000 1.085 533 L HN 0.453 nan 8.230 nan 0.000 0.545 534 D N 0.584 120.976 120.400 -0.014 0.000 2.989 534 D HA 0.552 5.192 4.640 -0.001 0.000 0.284 534 D C 0.080 176.392 176.300 0.020 0.000 1.212 534 D CA -0.386 53.554 54.000 -0.100 0.000 1.055 534 D CB 1.849 42.671 40.800 0.037 0.000 1.351 534 D HN 0.417 nan 8.370 nan 0.000 0.611 535 I N -1.615 118.965 120.570 0.017 0.000 1.550 535 I HA 0.163 4.333 4.170 -0.001 0.000 0.289 535 I C -1.082 175.048 176.117 0.022 0.000 0.353 535 I CA -0.792 60.527 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 1.704 120.418 118.700 0.023 0.000 2.461 536 N HA 0.356 5.095 4.740 -0.001 0.000 0.284 536 N C -2.865 172.663 175.510 0.030 0.000 1.049 536 N CA -1.616 51.446 53.050 0.019 0.000 0.889 536 N CB 1.228 39.723 38.487 0.014 0.000 1.365 536 N HN 0.033 nan 8.380 nan 0.000 0.499 537 P HA -0.173 nan 4.420 nan 0.000 0.050 537 P C -0.127 177.213 177.300 0.067 0.000 0.568 537 P CA 1.036 64.161 63.100 0.042 0.000 1.049 537 P CB 0.029 31.744 31.700 0.025 0.000 1.751 538 D N 1.223 121.674 120.400 0.086 0.000 3.234 538 D HA -0.036 4.604 4.640 -0.001 0.000 0.281 538 D C 0.297 176.721 176.300 0.206 0.000 1.405 538 D CA 0.632 54.710 54.000 0.130 0.000 1.115 538 D CB 0.411 41.251 40.800 0.066 0.000 1.198 538 D HN 0.194 nan 8.370 nan 0.000 0.388 539 D N 0.767 121.277 120.400 0.182 0.000 2.891 539 D HA 0.131 4.771 4.640 -0.001 0.000 0.312 539 D C -0.467 175.952 176.300 0.199 0.000 1.354 539 D CA -0.502 53.637 54.000 0.231 0.000 0.838 539 D CB -0.313 40.642 40.800 0.258 0.000 1.117 539 D HN -0.013 nan 8.370 nan 0.000 0.473 540 D N 1.074 121.533 120.400 0.098 0.000 2.908 540 D HA -0.059 4.580 4.640 -0.001 0.000 0.215 540 D C 0.035 176.306 176.300 -0.047 0.000 1.095 540 D CA 1.311 55.313 54.000 0.004 0.000 0.812 540 D CB 0.419 41.311 40.800 0.155 0.000 1.180 540 D HN 0.429 nan 8.370 nan 0.000 0.512 541 Y N -2.518 117.609 120.300 -0.288 0.000 2.905 541 Y HA 0.452 5.002 4.550 -0.001 0.000 0.322 541 Y C 1.267 176.738 175.900 -0.715 0.000 1.455 541 Y CA -0.516 57.353 58.100 -0.385 0.000 1.083 541 Y CB 0.362 38.641 38.460 -0.301 0.000 1.473 541 Y HN 0.458 nan 8.280 nan 0.000 0.449 542 G N 0.685 109.461 108.800 -0.040 0.000 2.857 542 G HA2 -0.431 3.529 3.960 -0.001 0.000 0.237 542 G HA3 -0.431 3.529 3.960 -0.001 0.000 0.237 542 G C 0.492 175.390 174.900 -0.004 0.000 1.074 542 G CA 1.817 46.882 45.100 -0.058 0.000 0.742 542 G HN 1.320 nan 8.290 nan 0.000 0.555 543 F N -0.800 119.166 119.950 0.025 0.000 2.706 543 F HA 0.557 5.084 4.527 -0.001 0.000 0.308 543 F C 1.597 177.374 175.800 -0.040 0.000 1.095 543 F CA -0.397 57.614 58.000 0.017 0.000 1.244 543 F CB -0.413 38.554 39.000 -0.055 0.000 1.063 543 F HN 0.122 nan 8.300 nan 0.000 0.582 544 K N 0.607 121.259 120.400 0.419 0.000 2.589 544 K HA -0.042 4.278 4.320 -0.001 0.000 0.192 544 K C 1.381 177.978 176.600 -0.005 0.000 1.029 544 K CA 0.171 56.561 56.287 0.171 0.000 1.031 544 K CB 0.053 32.613 32.500 0.100 0.000 0.821 544 K HN 0.257 nan 8.250 nan 0.000 0.502 1670 G N -2.072 106.797 108.800 0.115 0.000 4.882 1670 G HA2 0.086 4.046 3.960 -0.001 0.000 0.210 1670 G HA3 0.086 4.046 3.960 -0.001 0.000 0.210 1670 G C 0.128 175.073 174.900 0.074 0.000 0.811 1670 G CA 0.469 45.630 45.100 0.102 0.000 0.832 1670 G HN 0.227 nan 8.290 nan 0.000 0.467 1671 S N 0.258 115.997 115.700 0.066 0.000 2.545 1671 S HA 0.086 4.556 4.470 -0.001 0.000 0.232 1671 S C 1.410 176.045 174.600 0.057 0.000 1.070 1671 S CA 0.764 58.995 58.200 0.052 0.000 0.923 1671 S CB -0.114 63.110 63.200 0.040 0.000 0.806 1671 S HN 0.584 nan 8.310 nan 0.000 0.506 1672 Q N 2.581 122.422 119.800 0.069 0.000 2.681 1672 Q HA -0.110 4.229 4.340 -0.001 0.000 0.394 1672 Q C -0.439 175.600 176.000 0.065 0.000 1.278 1672 Q CA 1.152 57.001 55.803 0.076 0.000 1.106 1672 Q CB -0.541 28.253 28.738 0.092 0.000 1.205 1672 Q HN 0.748 nan 8.270 nan 0.000 0.475 1673 E N -0.626 119.613 120.200 0.063 0.000 2.393 1673 E HA 0.158 4.508 4.350 -0.001 0.000 0.282 1673 E C -0.295 176.330 176.600 0.042 0.000 1.096 1673 E CA -0.610 55.818 56.400 0.047 0.000 0.866 1673 E CB 0.188 29.911 29.700 0.038 0.000 1.232 1673 E HN 0.461 nan 8.360 nan 0.000 0.431 1674 Q N 1.404 121.220 119.800 0.027 0.000 2.478 1674 Q HA -0.371 3.968 4.340 -0.001 0.000 0.447 1674 Q C 1.791 177.800 176.000 0.015 0.000 0.743 1674 Q CA 3.804 59.616 55.803 0.015 0.000 0.966 1674 Q CB -1.319 27.422 28.738 0.005 0.000 1.221 1674 Q HN 0.917 nan 8.270 nan 0.000 0.856 1675 G N -0.192 108.613 108.800 0.008 0.000 2.843 1675 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.232 1675 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.232 1675 G C 0.478 175.385 174.900 0.011 0.000 1.186 1675 G CA 1.463 46.566 45.100 0.004 0.000 0.766 1675 G HN 0.823 nan 8.290 nan 0.000 0.647 1676 M N -0.067 119.559 119.600 0.043 0.000 3.923 1676 M HA -0.092 4.387 4.480 -0.001 0.000 0.158 1676 M C 1.128 177.480 176.300 0.085 0.000 1.513 1676 M CA 0.869 56.220 55.300 0.086 0.000 1.059 1676 M CB -1.304 31.368 32.600 0.121 0.000 1.337 1676 M HN 1.709 nan 8.290 nan 0.000 0.314 1677 G N 3.871 112.727 108.800 0.093 0.000 2.481 1677 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.328 1677 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.328 1677 G C 1.086 176.022 174.900 0.060 0.000 0.890 1677 G CA 0.793 45.953 45.100 0.100 0.000 0.833 1677 G HN 0.739 nan 8.290 nan 0.000 0.509 1678 M N 0.240 119.830 119.600 -0.017 0.000 2.108 1678 M HA -0.070 4.410 4.480 -0.001 0.000 0.261 1678 M C 2.215 178.517 176.300 0.003 0.000 1.066 1678 M CA 1.765 57.024 55.300 -0.069 0.000 1.107 1678 M CB -1.043 31.503 32.600 -0.090 0.000 1.356 1678 M HN 0.351 nan 8.290 nan 0.000 0.406 1679 D N 0.516 120.918 120.400 0.004 0.000 2.204 1679 D HA -0.269 4.371 4.640 -0.001 0.000 0.189 1679 D C 2.101 178.423 176.300 0.036 0.000 1.006 1679 D CA 1.423 55.427 54.000 0.007 0.000 0.855 1679 D CB -0.683 40.124 40.800 0.013 0.000 0.946 1679 D HN 0.364 nan 8.370 nan 0.000 0.448 1680 L N 0.046 121.310 121.223 0.068 0.000 1.978 1680 L HA -0.304 4.036 4.340 -0.001 0.000 0.218 1680 L C 2.487 179.449 176.870 0.152 0.000 1.075 1680 L CA 1.771 56.673 54.840 0.103 0.000 0.767 1680 L CB -0.634 41.507 42.059 0.137 0.000 0.890 1680 L HN 0.197 nan 8.230 nan 0.000 0.434 1681 Y N 0.589 120.865 120.300 -0.040 0.000 2.066 1681 Y HA -0.543 4.006 4.550 -0.001 0.000 0.235 1681 Y C 2.884 178.755 175.900 -0.049 0.000 1.262 1681 Y CA 2.456 60.496 58.100 -0.101 0.000 1.032 1681 Y CB -0.272 38.008 38.460 -0.299 0.000 0.832 1681 Y HN 0.270 nan 8.280 nan 0.000 0.520 1682 K N -0.406 120.024 120.400 0.049 0.000 2.097 1682 K HA -0.156 4.164 4.320 -0.001 0.000 0.206 1682 K C 1.709 178.326 176.600 0.029 0.000 1.049 1682 K CA 1.796 58.048 56.287 -0.057 0.000 0.933 1682 K CB -0.264 32.153 32.500 -0.138 0.000 0.717 1682 K HN 0.445 nan 8.250 nan 0.000 0.442 1683 T N 0.713 115.296 114.554 0.049 0.000 2.516 1683 T HA -0.180 4.169 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 1.753 63.879 62.100 0.044 0.000 1.193 1683 T CB -0.390 68.506 68.868 0.047 0.000 0.864 1683 T HN 0.480 nan 8.240 nan 0.000 0.410 1684 S N 0.495 116.242 115.700 0.078 0.000 2.472 1684 S HA 0.443 4.913 4.470 -0.001 0.000 0.303 1684 S C 0.423 175.079 174.600 0.093 0.000 1.099 1684 S CA -1.044 57.197 58.200 0.068 0.000 1.077 1684 S CB 1.953 65.184 63.200 0.051 0.000 1.031 1684 S HN 0.274 nan 8.310 nan 0.000 0.487 1685 K N 1.642 122.086 120.400 0.073 0.000 2.360 1685 K HA -0.100 4.219 4.320 -0.001 0.000 0.201 1685 K C 1.970 178.618 176.600 0.080 0.000 1.046 1685 K CA 1.070 57.405 56.287 0.081 0.000 0.940 1685 K CB -0.517 32.016 32.500 0.055 0.000 0.748 1685 K HN 0.744 nan 8.250 nan 0.000 0.465 1686 A N 1.924 124.782 122.820 0.064 0.000 1.904 1686 A HA -0.150 4.169 4.320 -0.001 0.000 0.207 1686 A C 2.364 179.995 177.584 0.078 0.000 1.231 1686 A CA 1.853 53.920 52.037 0.050 0.000 0.655 1686 A CB -1.313 17.702 19.000 0.025 0.000 0.875 1686 A HN 0.284 nan 8.150 nan 0.000 0.478 1687 A N -1.504 121.377 122.820 0.103 0.000 1.985 1687 A HA -0.352 3.967 4.320 -0.001 0.000 0.223 1687 A C 2.013 179.725 177.584 0.214 0.000 1.189 1687 A CA 2.891 55.024 52.037 0.160 0.000 0.658 1687 A CB -0.927 18.228 19.000 0.257 0.000 0.820 1687 A HN 0.771 nan 8.150 nan 0.000 0.464 1688 Q N 0.583 120.499 119.800 0.194 0.000 1.759 1688 Q HA -0.310 4.030 4.340 -0.001 0.000 0.363 1688 Q C 1.615 177.703 176.000 0.147 0.000 1.050 1688 Q CA 3.018 58.943 55.803 0.204 0.000 0.878 1688 Q CB -0.456 28.399 28.738 0.194 0.000 0.983 1688 Q HN 0.803 nan 8.270 nan 0.000 0.411 1689 D N -0.611 119.860 120.400 0.117 0.000 2.271 1689 D HA -0.147 4.492 4.640 -0.001 0.000 0.207 1689 D C 1.812 178.143 176.300 0.052 0.000 0.983 1689 D CA 1.313 55.364 54.000 0.086 0.000 0.878 1689 D CB -0.637 40.202 40.800 0.065 0.000 0.920 1689 D HN 0.265 nan 8.370 nan 0.000 0.479 1690 V N 0.419 120.346 119.914 0.022 0.000 2.215 1690 V HA -0.312 3.808 4.120 -0.001 0.000 0.249 1690 V C 2.377 178.398 176.094 -0.122 0.000 1.054 1690 V CA 2.401 64.641 62.300 -0.099 0.000 1.012 1690 V CB -1.055 30.633 31.823 -0.224 0.000 0.639 1690 V HN 0.245 nan 8.190 nan 0.000 0.448 1691 W N 0.203 121.406 121.300 -0.161 0.000 2.322 1691 W HA -0.156 4.503 4.660 -0.001 0.000 0.326 1691 W C 2.562 179.012 176.519 -0.114 0.000 1.224 1691 W CA 1.559 58.791 57.345 -0.190 0.000 1.257 1691 W CB -1.390 27.826 29.460 -0.407 0.000 1.174 1691 W HN 0.170 nan 8.180 nan 0.000 0.460 1692 N N 0.357 119.153 118.700 0.160 0.000 2.184 1692 N HA -0.298 4.442 4.740 -0.001 0.000 0.188 1692 N C 1.596 177.169 175.510 0.106 0.000 0.923 1692 N CA 2.564 55.689 53.050 0.125 0.000 0.897 1692 N CB -1.119 37.438 38.487 0.118 0.000 1.060 1692 N HN 0.233 nan 8.380 nan 0.000 0.763 1693 R N 0.621 121.168 120.500 0.078 0.000 2.132 1693 R HA -0.172 4.168 4.340 -0.001 0.000 0.233 1693 R C 2.342 178.699 176.300 0.095 0.000 1.125 1693 R CA 1.882 58.022 56.100 0.067 0.000 0.914 1693 R CB -0.722 29.591 30.300 0.022 0.000 0.845 1693 R HN 0.353 nan 8.270 nan 0.000 0.431 1694 A N 1.389 124.250 122.820 0.068 0.000 1.852 1694 A HA -0.298 4.022 4.320 -0.001 0.000 0.217 1694 A C 2.027 179.768 177.584 0.262 0.000 1.215 1694 A CA 2.097 54.214 52.037 0.133 0.000 0.641 1694 A CB -1.069 17.962 19.000 0.052 0.000 0.838 1694 A HN 0.499 nan 8.150 nan 0.000 0.450 1695 D N -0.719 119.788 120.400 0.179 0.000 2.158 1695 D HA -0.201 4.439 4.640 -0.001 0.000 0.197 1695 D C 1.801 178.174 176.300 0.120 0.000 0.995 1695 D CA 1.463 55.533 54.000 0.117 0.000 0.846 1695 D CB -0.243 40.615 40.800 0.097 0.000 0.941 1695 D HN 0.442 nan 8.370 nan 0.000 0.456 1696 N N 0.331 119.105 118.700 0.124 0.000 2.047 1696 N HA -0.206 4.533 4.740 -0.001 0.000 0.193 1696 N C 1.998 177.568 175.510 0.099 0.000 1.055 1696 N CA 1.029 54.134 53.050 0.091 0.000 0.847 1696 N CB -0.880 37.659 38.487 0.087 0.000 1.038 1696 N HN 0.353 nan 8.380 nan 0.000 0.427 1697 H N -0.208 118.873 119.070 0.017 0.000 2.496 1697 H HA -0.162 4.394 4.556 -0.001 0.000 0.296 1697 H C 1.716 176.987 175.328 -0.094 0.000 1.107 1697 H CA 1.151 57.179 56.048 -0.034 0.000 1.263 1697 H CB -0.387 29.345 29.762 -0.049 0.000 1.369 1697 H HN 0.232 nan 8.280 nan 0.000 0.541 1698 F N 1.804 121.749 119.950 -0.009 0.000 2.012 1698 F HA -0.144 4.383 4.527 -0.001 0.000 0.289 1698 F C 2.820 178.467 175.800 -0.254 0.000 1.185 1698 F CA 1.805 59.696 58.000 -0.182 0.000 1.149 1698 F CB -0.184 38.578 39.000 -0.397 0.000 0.994 1698 F HN 0.136 nan 8.300 nan 0.000 0.481 1699 K N -0.237 120.144 120.400 -0.033 0.000 2.444 1699 K HA -0.244 4.075 4.320 -0.001 0.000 0.200 1699 K C 1.194 177.775 176.600 -0.032 0.000 1.045 1699 K CA 2.016 58.256 56.287 -0.077 0.000 0.934 1699 K CB -0.558 31.885 32.500 -0.095 0.000 0.756 1699 K HN 0.335 nan 8.250 nan 0.000 0.477 1700 D N 0.485 120.849 120.400 -0.061 0.000 2.144 1700 D HA -0.049 4.590 4.640 -0.001 0.000 0.207 1700 D C 1.605 177.830 176.300 -0.125 0.000 0.970 1700 D CA 1.271 55.215 54.000 -0.093 0.000 0.853 1700 D CB 0.189 40.916 40.800 -0.122 0.000 1.007 1700 D HN 0.141 nan 8.370 nan 0.000 0.469 1701 T N -1.341 113.073 114.554 -0.233 0.000 2.852 1701 T HA -0.036 4.313 4.350 -0.001 0.000 0.256 1701 T C -0.311 174.441 174.700 0.087 0.000 1.038 1701 T CA 0.567 62.546 62.100 -0.202 0.000 1.141 1701 T CB 0.030 68.628 68.868 -0.450 0.000 0.869 1701 T HN 0.052 nan 8.240 nan 0.000 0.439 1702 Y N 1.972 122.237 120.300 -0.057 0.000 2.646 1702 Y HA 0.559 5.109 4.550 -0.001 0.000 0.334 1702 Y C 0.517 176.664 175.900 0.412 0.000 1.004 1702 Y CA -2.121 56.115 58.100 0.227 0.000 1.301 1702 Y CB 0.073 38.738 38.460 0.341 0.000 1.093 1702 Y HN 0.218 nan 8.280 nan 0.000 0.530 1703 G N 5.048 114.035 108.800 0.312 0.000 2.638 1703 G HA2 0.159 4.119 3.960 -0.001 0.000 0.227 1703 G HA3 0.159 4.119 3.960 -0.001 0.000 0.227 1703 G C -0.484 174.452 174.900 0.061 0.000 1.096 1703 G CA 1.027 46.238 45.100 0.184 0.000 0.866 1703 G HN 1.515 nan 8.290 nan 0.000 0.493 1704 F N -0.982 118.796 119.950 -0.286 0.000 2.184 1704 F HA 0.109 4.636 4.527 -0.001 0.000 0.318 1704 F C -0.524 175.196 175.800 -0.132 0.000 1.112 1704 F CA -0.359 57.414 58.000 -0.378 0.000 0.912 1704 F CB -0.934 37.655 39.000 -0.684 0.000 4.132 1704 F HN 1.502 nan 8.300 nan 0.000 0.139 1705 S N 5.326 120.950 115.700 -0.127 0.000 2.473 1705 S HA 0.717 5.186 4.470 -0.001 0.000 0.307 1705 S C 0.812 175.347 174.600 -0.108 0.000 1.094 1705 S CA -0.353 57.707 58.200 -0.235 0.000 1.070 1705 S CB 1.545 64.695 63.200 -0.083 0.000 1.019 1705 S HN 0.891 nan 8.310 nan 0.000 0.480 1706 I N 2.971 123.353 120.570 -0.314 0.000 2.052 1706 I HA -0.267 3.902 4.170 -0.001 0.000 0.235 1706 I C 2.346 178.501 176.117 0.062 0.000 1.046 1706 I CA 1.549 62.785 61.300 -0.106 0.000 1.308 1706 I CB -0.738 37.165 38.000 -0.162 0.000 1.031 1706 I HN 0.681 nan 8.210 nan 0.000 0.395 1707 L N 0.475 121.738 121.223 0.067 0.000 2.026 1707 L HA -0.400 3.940 4.340 -0.001 0.000 0.231 1707 L C 2.533 179.401 176.870 -0.003 0.000 1.095 1707 L CA 2.086 56.925 54.840 -0.001 0.000 0.810 1707 L CB -1.068 40.988 42.059 -0.005 0.000 0.909 1707 L HN 0.496 nan 8.230 nan 0.000 0.444 1708 D N 0.426 120.831 120.400 0.008 0.000 2.230 1708 D HA -0.255 4.384 4.640 -0.001 0.000 0.189 1708 D C 2.028 178.333 176.300 0.008 0.000 1.006 1708 D CA 2.352 56.352 54.000 0.000 0.000 0.853 1708 D CB -0.015 40.787 40.800 0.005 0.000 0.959 1708 D HN 0.241 nan 8.370 nan 0.000 0.449 1709 I N 0.890 121.492 120.570 0.053 0.000 2.335 1709 I HA -0.188 3.982 4.170 -0.001 0.000 0.251 1709 I C 2.713 178.858 176.117 0.046 0.000 1.129 1709 I CA 0.499 61.828 61.300 0.048 0.000 1.402 1709 I CB -1.495 36.593 38.000 0.147 0.000 1.069 1709 I HN 0.035 nan 8.210 nan 0.000 0.424 1710 V N 1.132 121.082 119.914 0.060 0.000 2.283 1710 V HA -0.200 3.920 4.120 -0.001 0.000 0.243 1710 V C 2.457 178.548 176.094 -0.005 0.000 1.039 1710 V CA 1.333 63.663 62.300 0.050 0.000 1.016 1710 V CB -0.311 31.542 31.823 0.051 0.000 0.650 1710 V HN 0.189 nan 8.190 nan 0.000 0.449 1711 I N 1.045 121.591 120.570 -0.040 0.000 2.032 1711 I HA -0.186 3.984 4.170 -0.001 0.000 0.228 1711 I C 1.091 177.190 176.117 -0.031 0.000 1.030 1711 I CA 1.557 62.829 61.300 -0.048 0.000 1.318 1711 I CB -0.551 37.415 38.000 -0.056 0.000 1.049 1711 I HN 0.510 nan 8.210 nan 0.000 0.387 1712 N N 2.258 120.939 118.700 -0.032 0.000 2.495 1712 N HA 0.034 4.773 4.740 -0.001 0.000 0.280 1712 N C -0.540 174.949 175.510 -0.034 0.000 1.168 1712 N CA -0.360 52.670 53.050 -0.032 0.000 0.978 1712 N CB 0.584 39.048 38.487 -0.038 0.000 1.191 1712 N HN 0.178 nan 8.380 nan 0.000 0.497 1713 N N 1.278 119.955 118.700 -0.039 0.000 3.105 1713 N HA 0.154 4.893 4.740 -0.001 0.000 0.256 1713 N C -1.978 173.487 175.510 -0.075 0.000 1.174 1713 N CA -1.788 51.230 53.050 -0.054 0.000 1.030 1713 N CB 0.166 38.628 38.487 -0.041 0.000 1.305 1713 N HN 0.427 nan 8.380 nan 0.000 0.509 1714 P HA -0.072 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 0.084 63.123 63.100 -0.101 0.000 0.770 1714 P CB 0.145 31.782 31.700 -0.105 0.000 1.614 1715 V N 0.241 120.079 119.914 -0.128 0.000 2.747 1715 V HA -0.160 3.960 4.120 -0.001 0.000 0.147 1715 V C 1.722 177.755 176.094 -0.101 0.000 0.734 1715 V CA 1.451 63.670 62.300 -0.136 0.000 1.291 1715 V CB -0.605 31.154 31.823 -0.106 0.000 0.874 1715 V HN 0.460 nan 8.190 nan 0.000 0.384 1716 N N -1.440 117.215 118.700 -0.074 0.000 1.170 1716 N HA -0.296 4.444 4.740 -0.001 0.000 0.121 1716 N C 0.031 175.500 175.510 -0.069 0.000 0.786 1716 N CA 1.869 54.884 53.050 -0.058 0.000 0.876 1716 N CB -1.244 37.212 38.487 -0.053 0.000 1.094 1716 N HN 0.696 nan 8.380 nan 0.000 0.586 1717 L N 2.660 123.838 121.223 -0.076 0.000 2.858 1717 L HA 0.151 4.490 4.340 -0.001 0.000 0.243 1717 L C 1.456 178.258 176.870 -0.114 0.000 1.416 1717 L CA 1.179 55.957 54.840 -0.104 0.000 1.182 1717 L CB -1.404 40.580 42.059 -0.125 0.000 1.564 1717 L HN 0.565 nan 8.230 nan 0.000 0.436 1718 T N -1.008 113.481 114.554 -0.109 0.000 2.533 1718 T HA -0.046 4.304 4.350 -0.001 0.000 0.366 1718 T C 1.010 175.651 174.700 -0.097 0.000 1.055 1718 T CA -0.118 61.897 62.100 -0.142 0.000 1.043 1718 T CB 0.186 68.919 68.868 -0.225 0.000 1.044 1718 T HN 0.296 nan 8.240 nan 0.000 0.535 1719 I N 2.591 123.026 120.570 -0.225 0.000 3.160 1719 I HA -0.049 4.120 4.170 -0.001 0.000 0.311 1719 I C 1.586 177.658 176.117 -0.075 0.000 1.218 1719 I CA 0.534 61.656 61.300 -0.296 0.000 1.440 1719 I CB -0.035 37.493 38.000 -0.787 0.000 1.310 1719 I HN 0.922 nan 8.210 nan 0.000 0.575 1720 H N 2.850 121.852 119.070 -0.114 0.000 3.935 1720 H HA 0.231 4.786 4.556 -0.001 0.000 0.261 1720 H C -0.135 175.567 175.328 0.624 0.000 1.102 1720 H CA -0.651 55.520 56.048 0.204 0.000 1.176 1720 H CB 0.021 29.839 29.762 0.093 0.000 1.434 1720 H HN 0.482 nan 8.280 nan 0.000 0.778 1721 F N 1.165 120.831 119.950 -0.474 0.000 2.092 1721 F HA -0.052 4.475 4.527 -0.001 0.000 0.464 1721 F C 1.634 177.291 175.800 -0.238 0.000 1.227 1721 F CA 0.661 58.466 58.000 -0.325 0.000 1.492 1721 F CB -0.862 38.043 39.000 -0.158 0.000 2.390 1721 F HN 0.311 nan 8.300 nan 0.000 0.725 1722 G N 1.734 110.497 108.800 -0.063 0.000 2.650 1722 G HA2 0.352 4.311 3.960 -0.001 0.000 0.214 1722 G HA3 0.352 4.311 3.960 -0.001 0.000 0.214 1722 G C 1.155 176.075 174.900 0.033 0.000 1.136 1722 G CA 0.459 45.561 45.100 0.003 0.000 0.789 1722 G HN 2.078 nan 8.290 nan 0.000 0.536 1723 G N 0.746 109.467 108.800 -0.132 0.000 2.306 1723 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.274 1723 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.274 1723 G C 0.126 174.759 174.900 -0.445 0.000 0.890 1723 G CA 0.721 45.321 45.100 -0.833 0.000 1.298 1723 G HN 0.735 nan 8.290 nan 0.000 0.445 1724 E N -0.332 119.743 120.200 -0.208 0.000 2.812 1724 E HA -0.080 4.269 4.350 -0.001 0.000 0.276 1724 E C 1.259 177.849 176.600 -0.017 0.000 0.946 1724 E CA 0.852 57.210 56.400 -0.070 0.000 0.971 1724 E CB 0.274 29.941 29.700 -0.054 0.000 0.960 1724 E HN 0.584 nan 8.360 nan 0.000 0.479 1725 K N 2.025 122.456 120.400 0.051 0.000 2.372 1725 K HA 0.216 4.536 4.320 -0.001 0.000 0.200 1725 K C 0.216 176.851 176.600 0.058 0.000 1.022 1725 K CA 0.143 56.487 56.287 0.094 0.000 1.125 1725 K CB 1.129 33.692 32.500 0.105 0.000 0.855 1725 K HN 0.437 nan 8.250 nan 0.000 0.524 1726 G N 0.429 109.248 108.800 0.031 0.000 2.481 1726 G HA2 0.231 4.191 3.960 -0.001 0.000 0.315 1726 G HA3 0.231 4.191 3.960 -0.001 0.000 0.315 1726 G C -0.007 174.901 174.900 0.014 0.000 1.231 1726 G CA -0.555 44.558 45.100 0.022 0.000 0.968 1726 G HN -0.186 nan 8.290 nan 0.000 0.482 1727 K N -0.236 120.173 120.400 0.015 0.000 4.389 1727 K HA -0.285 4.035 4.320 -0.001 0.000 0.336 1727 K C 2.040 178.644 176.600 0.008 0.000 0.673 1727 K CA 1.902 58.196 56.287 0.011 0.000 1.208 1727 K CB -0.689 31.814 32.500 0.005 0.000 0.819 1727 K HN 0.509 nan 8.250 nan 0.000 0.767 1728 R N 1.611 122.109 120.500 -0.005 0.000 2.417 1728 R HA -0.060 4.279 4.340 -0.001 0.000 0.220 1728 R C 2.115 178.400 176.300 -0.025 0.000 1.128 1728 R CA 0.828 56.919 56.100 -0.014 0.000 1.048 1728 R CB -0.970 29.314 30.300 -0.026 0.000 0.835 1728 R HN 0.613 nan 8.270 nan 0.000 0.483 1729 I N 0.628 121.190 120.570 -0.013 0.000 2.036 1729 I HA -0.357 3.813 4.170 -0.001 0.000 0.231 1729 I C 2.189 178.339 176.117 0.054 0.000 1.044 1729 I CA 1.301 62.599 61.300 -0.004 0.000 1.315 1729 I CB -0.144 37.896 38.000 0.066 0.000 1.051 1729 I HN 0.091 nan 8.210 nan 0.000 0.391 1730 R N 0.557 121.103 120.500 0.078 0.000 2.222 1730 R HA -0.315 4.025 4.340 -0.001 0.000 0.235 1730 R C 2.107 178.460 176.300 0.088 0.000 1.112 1730 R CA 2.848 59.002 56.100 0.090 0.000 0.897 1730 R CB -0.839 29.500 30.300 0.064 0.000 0.882 1730 R HN 0.553 nan 8.270 nan 0.000 0.429 1731 E N -0.553 119.681 120.200 0.056 0.000 2.370 1731 E HA -0.234 4.116 4.350 -0.001 0.000 0.205 1731 E C 1.315 177.963 176.600 0.080 0.000 1.037 1731 E CA 1.175 57.602 56.400 0.046 0.000 0.845 1731 E CB -0.041 29.669 29.700 0.018 0.000 0.753 1731 E HN 0.393 nan 8.360 nan 0.000 0.507 1732 N N -0.718 118.049 118.700 0.112 0.000 2.831 1732 N HA -0.009 4.730 4.740 -0.001 0.000 0.233 1732 N C 0.314 176.009 175.510 0.308 0.000 1.031 1732 N CA 0.058 53.231 53.050 0.205 0.000 1.198 1732 N CB -0.239 38.306 38.487 0.098 0.000 1.595 1732 N HN 0.097 nan 8.380 nan 0.000 0.588 1733 Y N 1.885 122.252 120.300 0.112 0.000 3.040 1733 Y HA -0.048 4.502 4.550 -0.001 0.000 0.356 1733 Y C 1.290 177.217 175.900 0.046 0.000 1.096 1733 Y CA -0.369 57.771 58.100 0.066 0.000 2.058 1733 Y CB -0.083 38.400 38.460 0.038 0.000 2.215 1733 Y HN 0.238 nan 8.280 nan 0.000 0.404 1734 S N 0.144 115.985 115.700 0.235 0.000 7.376 1734 S HA -0.027 4.442 4.470 -0.001 0.000 0.042 1734 S C -0.265 174.427 174.600 0.153 0.000 1.533 1734 S CA 0.039 58.358 58.200 0.197 0.000 0.942 1734 S CB -1.341 61.948 63.200 0.148 0.000 0.854 1734 S HN 0.458 nan 8.310 nan 0.000 0.540 1735 A N 3.209 126.092 122.820 0.105 0.000 2.591 1735 A HA 0.404 4.723 4.320 -0.001 0.000 0.244 1735 A C 1.540 179.130 177.584 0.010 0.000 1.031 1735 A CA 1.389 53.455 52.037 0.048 0.000 0.767 1735 A CB -0.671 18.351 19.000 0.038 0.000 0.942 1735 A HN 1.222 nan 8.150 nan 0.000 0.514 1736 M N -0.244 119.322 119.600 -0.056 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 1.506 56.710 55.300 -0.159 0.000 0.538 1736 M CB -1.980 30.518 32.600 -0.169 0.000 1.991 1736 M HN 0.689 nan 8.290 nan 0.000 0.256 1737 I N 0.510 120.998 120.570 -0.136 0.000 2.385 1737 I HA 0.330 4.500 4.170 -0.001 0.000 0.294 1737 I C 1.178 177.368 176.117 0.122 0.000 0.988 1737 I CA 0.321 61.563 61.300 -0.096 0.000 1.265 1737 I CB 1.163 39.166 38.000 0.006 0.000 1.388 1737 I HN 0.596 nan 8.210 nan 0.000 0.480 1738 F N 4.665 124.549 119.950 -0.110 0.000 2.494 1738 F HA -0.303 4.224 4.527 -0.001 0.000 0.709 1738 F C 1.282 177.033 175.800 -0.082 0.000 0.488 1738 F CA 1.619 59.565 58.000 -0.091 0.000 0.931 1738 F CB -0.948 38.007 39.000 -0.076 0.000 1.752 1738 F HN 0.527 nan 8.300 nan 0.000 0.270 1739 E N 2.320 122.368 120.200 -0.253 0.000 2.510 1739 E HA 0.049 4.398 4.350 -0.001 0.000 0.202 1739 E C 0.940 177.383 176.600 -0.262 0.000 1.072 1739 E CA 1.031 57.219 56.400 -0.354 0.000 0.883 1739 E CB -1.310 28.282 29.700 -0.180 0.000 0.818 1739 E HN 0.705 nan 8.360 nan 0.000 0.548 1740 T N 0.434 114.851 114.554 -0.227 0.000 2.928 1740 T HA 0.391 4.741 4.350 -0.001 0.000 0.305 1740 T C 0.594 175.237 174.700 -0.095 0.000 1.035 1740 T CA -0.177 61.816 62.100 -0.178 0.000 1.145 1740 T CB 0.572 69.331 68.868 -0.181 0.000 0.963 1740 T HN 0.001 nan 8.240 nan 0.000 0.545 1741 I N 2.110 122.697 120.570 0.027 0.000 2.548 1741 I HA 0.433 4.602 4.170 -0.001 0.000 0.287 1741 I C -0.625 175.507 176.117 0.025 0.000 1.103 1741 I CA -1.186 60.114 61.300 0.000 0.000 1.049 1741 I CB 2.131 40.114 38.000 -0.028 0.000 1.232 1741 I HN 0.399 nan 8.210 nan 0.000 0.429 1742 V N 4.265 124.169 119.914 -0.016 0.000 2.769 1742 V HA 0.374 4.494 4.120 -0.001 0.000 0.312 1742 V C -0.098 175.964 176.094 -0.053 0.000 1.058 1742 V CA -0.383 61.894 62.300 -0.039 0.000 0.952 1742 V CB 2.375 34.175 31.823 -0.040 0.000 1.019 1742 V HN 0.739 nan 8.190 nan 0.000 0.445 1743 D N 1.897 122.260 120.400 -0.061 0.000 2.696 1743 D HA 0.194 4.833 4.640 -0.001 0.000 0.269 1743 D C 1.425 177.692 176.300 -0.056 0.000 1.319 1743 D CA 0.435 54.401 54.000 -0.056 0.000 0.826 1743 D CB 1.147 41.914 40.800 -0.055 0.000 1.086 1743 D HN 0.757 nan 8.370 nan 0.000 0.481 1744 G N 0.613 109.376 108.800 -0.062 0.000 2.421 1744 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.216 1744 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.216 1744 G C 0.959 175.826 174.900 -0.055 0.000 1.171 1744 G CA 0.878 45.940 45.100 -0.064 0.000 0.775 1744 G HN 0.002 nan 8.290 nan 0.000 0.543 1745 K N -0.365 120.002 120.400 -0.056 0.000 2.378 1745 K HA 0.571 4.891 4.320 -0.001 0.000 0.252 1745 K C 0.094 176.667 176.600 -0.045 0.000 0.931 1745 K CA -0.794 55.465 56.287 -0.047 0.000 0.794 1745 K CB 2.439 34.908 32.500 -0.051 0.000 1.181 1745 K HN 0.174 nan 8.250 nan 0.000 0.425 1746 L N 0.897 122.097 121.223 -0.038 0.000 0.640 1746 L HA -0.399 3.941 4.340 -0.001 0.000 0.357 1746 L C 1.477 178.324 176.870 -0.039 0.000 1.037 1746 L CA 0.700 55.519 54.840 -0.036 0.000 1.221 1746 L CB -0.278 41.759 42.059 -0.036 0.000 0.028 1746 L HN 0.756 nan 8.230 nan 0.000 0.112 1747 K N -0.573 119.805 120.400 -0.037 0.000 2.007 1747 K HA -0.035 4.285 4.320 -0.001 0.000 0.206 1747 K C 0.738 177.310 176.600 -0.046 0.000 1.047 1747 K CA 1.857 58.120 56.287 -0.039 0.000 0.937 1747 K CB -0.105 32.374 32.500 -0.035 0.000 0.718 1747 K HN 0.786 nan 8.250 nan 0.000 0.438 1748 T N 0.105 114.630 114.554 -0.049 0.000 3.042 1748 T HA 0.259 4.608 4.350 -0.001 0.000 0.356 1748 T C -0.677 173.986 174.700 -0.063 0.000 1.233 1748 T CA -0.719 61.344 62.100 -0.061 0.000 1.038 1748 T CB 0.844 69.673 68.868 -0.065 0.000 1.089 1748 T HN 0.080 nan 8.240 nan 0.000 0.531 1749 E N 3.370 123.531 120.200 -0.065 0.000 2.683 1749 E HA 0.199 4.548 4.350 -0.001 0.000 0.224 1749 E C -0.552 176.008 176.600 -0.068 0.000 1.046 1749 E CA -0.702 55.660 56.400 -0.063 0.000 0.811 1749 E CB 0.443 30.105 29.700 -0.063 0.000 1.296 1749 E HN 0.563 nan 8.360 nan 0.000 0.421 1750 K N 4.313 124.661 120.400 -0.086 0.000 2.361 1750 K HA 0.081 4.401 4.320 -0.001 0.000 0.283 1750 K C 0.343 176.922 176.600 -0.035 0.000 1.078 1750 K CA -0.311 55.906 56.287 -0.117 0.000 1.041 1750 K CB 0.297 32.645 32.500 -0.253 0.000 0.932 1750 K HN 0.519 nan 8.250 nan 0.000 0.462 1751 I N 4.660 125.213 120.570 -0.028 0.000 3.431 1751 I HA -0.274 3.895 4.170 -0.001 0.000 0.303 1751 I C 0.512 176.697 176.117 0.113 0.000 1.138 1751 I CA 1.189 62.502 61.300 0.021 0.000 1.939 1751 I CB -1.802 36.191 38.000 -0.011 0.000 1.175 1751 I HN 0.750 nan 8.210 nan 0.000 0.415 1752 F N 5.443 125.348 119.950 -0.076 0.000 1.948 1752 F HA -0.339 4.188 4.527 -0.001 0.000 0.214 1752 F C 1.431 177.153 175.800 -0.130 0.000 1.018 1752 F CA 0.796 58.731 58.000 -0.109 0.000 0.779 1752 F CB 0.378 39.290 39.000 -0.147 0.000 1.126 1752 F HN 0.720 nan 8.300 nan 0.000 0.743 1753 K N 2.957 123.569 120.400 0.353 0.000 2.675 1753 K HA -0.015 4.305 4.320 -0.001 0.000 0.326 1753 K C 1.192 177.866 176.600 0.122 0.000 0.935 1753 K CA 0.482 56.908 56.287 0.232 0.000 1.085 1753 K CB -0.116 32.468 32.500 0.140 0.000 1.096 1753 K HN 0.706 nan 8.250 nan 0.000 0.644 1754 E N -1.151 119.058 120.200 0.015 0.000 4.908 1754 E HA -0.235 4.115 4.350 -0.001 0.000 0.164 1754 E C 1.221 177.642 176.600 -0.298 0.000 1.196 1754 E CA 1.821 58.130 56.400 -0.151 0.000 2.347 1754 E CB -1.523 27.973 29.700 -0.340 0.000 1.786 1754 E HN 0.578 nan 8.360 nan 0.000 0.456 1755 I N 2.152 122.529 120.570 -0.322 0.000 2.908 1755 I HA -0.191 3.979 4.170 -0.001 0.000 0.271 1755 I C 0.811 176.566 176.117 -0.603 0.000 1.275 1755 I CA 1.395 62.456 61.300 -0.398 0.000 1.446 1755 I CB -2.842 35.061 38.000 -0.163 0.000 1.092 1755 I HN 0.464 nan 8.210 nan 0.000 0.482 1756 N N 3.110 121.465 118.700 -0.574 0.000 1.903 1756 N HA -0.220 4.519 4.740 -0.001 0.000 0.309 1756 N C 0.765 175.877 175.510 -0.664 0.000 1.241 1756 N CA 0.712 53.376 53.050 -0.642 0.000 0.802 1756 N CB 0.288 38.535 38.487 -0.401 0.000 1.026 1756 N HN 0.211 nan 8.380 nan 0.000 0.492 1757 E N 1.223 121.029 120.200 -0.656 0.000 3.580 1757 E HA -0.420 3.929 4.350 -0.001 0.000 0.462 1757 E C 1.407 177.780 176.600 -0.380 0.000 1.581 1757 E CA 2.522 58.641 56.400 -0.468 0.000 1.318 1757 E CB -1.560 27.886 29.700 -0.423 0.000 1.168 1757 E HN 0.955 nan 8.360 nan 0.000 0.374 1758 H N 0.943 119.944 119.070 -0.114 0.000 2.716 1758 H HA 0.037 4.593 4.556 -0.001 0.000 0.303 1758 H C 1.019 176.280 175.328 -0.111 0.000 1.022 1758 H CA 1.185 57.194 56.048 -0.064 0.000 1.149 1758 H CB -1.033 28.710 29.762 -0.031 0.000 1.499 1758 H HN 0.372 nan 8.280 nan 0.000 0.698 1759 S N 1.514 117.213 115.700 -0.002 0.000 3.964 1759 S HA -0.156 4.313 4.470 -0.001 0.000 0.265 1759 S C -0.397 174.116 174.600 -0.144 0.000 0.774 1759 S CA 0.522 58.687 58.200 -0.059 0.000 1.337 1759 S CB -1.160 61.919 63.200 -0.202 0.000 1.768 1759 S HN 0.669 nan 8.310 nan 0.000 0.414 1760 T N 4.733 119.289 114.554 0.004 0.000 2.869 1760 T HA 0.529 4.878 4.350 -0.001 0.000 0.295 1760 T C 0.193 174.942 174.700 0.081 0.000 0.987 1760 T CA 0.306 62.460 62.100 0.091 0.000 1.109 1760 T CB 1.018 70.043 68.868 0.262 0.000 0.932 1760 T HN 2.128 nan 8.240 nan 0.000 0.518 1761 S N 1.641 117.425 115.700 0.140 0.000 3.080 1761 S HA -0.164 4.305 4.470 -0.001 0.000 0.790 1761 S C -0.628 174.098 174.600 0.211 0.000 0.736 1761 S CA -0.611 57.779 58.200 0.316 0.000 1.493 1761 S CB -1.814 61.597 63.200 0.352 0.000 1.047 1761 S HN 0.729 nan 8.310 nan 0.000 0.709 1762 Y N 3.455 123.803 120.300 0.081 0.000 2.540 1762 Y HA 0.762 5.311 4.550 -0.001 0.000 0.371 1762 Y C 0.884 176.923 175.900 0.231 0.000 1.337 1762 Y CA -0.415 57.724 58.100 0.066 0.000 1.590 1762 Y CB 1.120 39.645 38.460 0.109 0.000 1.676 1762 Y HN 1.185 nan 8.280 nan 0.000 0.614 1763 T N 3.340 117.915 114.554 0.035 0.000 3.888 1763 T HA 0.268 4.618 4.350 -0.001 0.000 0.274 1763 T C -0.843 173.774 174.700 -0.139 0.000 0.639 1763 T CA -0.560 61.535 62.100 -0.008 0.000 1.047 1763 T CB -1.118 67.789 68.868 0.066 0.000 1.111 1763 T HN 0.417 nan 8.240 nan 0.000 0.497 1764 F N 2.478 122.152 119.950 -0.460 0.000 2.532 1764 F HA 0.520 5.047 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 -0.730 57.071 58.000 -0.331 0.000 1.323 1764 F CB 0.560 39.482 39.000 -0.130 0.000 1.183 1764 F HN 0.462 nan 8.300 nan 0.000 0.589 1765 R N -0.262 120.280 120.500 0.070 0.000 5.523 1765 R HA 0.238 4.578 4.340 -0.001 0.000 0.269 1765 R C -1.550 174.751 176.300 0.002 0.000 0.936 1765 R CA -0.558 55.537 56.100 -0.008 0.000 1.517 1765 R CB -0.025 30.261 30.300 -0.024 0.000 1.223 1765 R HN 0.717 nan 8.270 nan 0.000 0.672 1766 S N 1.215 116.901 115.700 -0.023 0.000 2.718 1766 S HA 0.486 4.955 4.470 -0.001 0.000 0.292 1766 S C 0.147 174.738 174.600 -0.016 0.000 1.125 1766 S CA -0.638 57.558 58.200 -0.005 0.000 1.013 1766 S CB 1.675 64.869 63.200 -0.009 0.000 1.192 1766 S HN 0.762 nan 8.310 nan 0.000 0.535 1767 E N -0.707 119.489 120.200 -0.006 0.000 2.921 1767 E HA 0.279 4.629 4.350 -0.001 0.000 0.203 1767 E C -0.287 176.308 176.600 -0.008 0.000 0.975 1767 E CA -0.172 56.222 56.400 -0.010 0.000 1.225 1767 E CB 0.531 30.231 29.700 0.000 0.000 1.048 1767 E HN 0.590 nan 8.360 nan 0.000 0.477 1768 K N -0.306 120.090 120.400 -0.008 0.000 2.554 1768 K HA 0.272 4.592 4.320 -0.001 0.000 0.211 1768 K C 0.324 176.918 176.600 -0.009 0.000 1.226 1768 K CA 0.150 56.435 56.287 -0.003 0.000 1.025 1768 K CB 2.403 34.908 32.500 0.009 0.000 1.021 1768 K HN 0.079 nan 8.250 nan 0.000 0.600 1769 G N 2.240 111.026 108.800 -0.023 0.000 2.409 1769 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.231 1769 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.231 1769 G C 0.018 174.887 174.900 -0.053 0.000 3.185 1769 G CA -0.656 44.425 45.100 -0.032 0.000 0.941 1769 G HN 0.131 nan 8.290 nan 0.000 0.556 1770 L N 1.036 122.193 121.223 -0.110 0.000 2.357 1770 L HA 0.027 4.366 4.340 -0.001 0.000 0.220 1770 L C 1.925 178.673 176.870 -0.204 0.000 1.123 1770 L CA 1.051 55.770 54.840 -0.202 0.000 0.782 1770 L CB 0.045 41.894 42.059 -0.349 0.000 0.910 1770 L HN 0.468 nan 8.230 nan 0.000 0.442 1771 L N 0.277 121.437 121.223 -0.105 0.000 3.062 1771 L HA 0.045 4.385 4.340 -0.001 0.000 0.264 1771 L C 0.783 177.690 176.870 0.061 0.000 1.242 1771 L CA 0.850 55.685 54.840 -0.009 0.000 1.072 1771 L CB -1.220 40.847 42.059 0.013 0.000 1.420 1771 L HN 0.643 nan 8.230 nan 0.000 0.412 1772 S N -2.584 113.152 115.700 0.060 0.000 4.244 1772 S HA 0.684 5.154 4.470 -0.001 0.000 0.239 1772 S C 0.964 175.654 174.600 0.150 0.000 1.097 1772 S CA 0.014 58.277 58.200 0.105 0.000 1.376 1772 S CB 0.372 63.614 63.200 0.069 0.000 1.691 1772 S HN 0.817 nan 8.310 nan 0.000 0.661 1773 A N 0.634 123.526 122.820 0.120 0.000 2.910 1773 A HA -0.181 4.138 4.320 -0.001 0.000 0.267 1773 A C 1.180 178.878 177.584 0.190 0.000 1.310 1773 A CA 1.996 54.120 52.037 0.144 0.000 0.934 1773 A CB -2.966 16.129 19.000 0.158 0.000 1.057 1773 A HN 1.976 nan 8.150 nan 0.000 0.742 1774 T N -1.788 112.878 114.554 0.188 0.000 4.358 1774 T HA -0.371 3.979 4.350 -0.001 0.000 0.338 1774 T C 0.818 175.650 174.700 0.219 0.000 0.805 1774 T CA 2.356 64.565 62.100 0.182 0.000 1.909 1774 T CB -1.069 67.878 68.868 0.132 0.000 2.045 1774 T HN 1.086 nan 8.240 nan 0.000 0.835 1775 Q N -1.784 118.214 119.800 0.329 0.000 2.378 1775 Q HA 0.254 4.594 4.340 -0.001 0.000 0.216 1775 Q C 1.164 177.427 176.000 0.439 0.000 0.892 1775 Q CA 0.409 56.431 55.803 0.364 0.000 0.931 1775 Q CB 0.314 29.302 28.738 0.416 0.000 1.086 1775 Q HN 0.625 nan 8.270 nan 0.000 0.528 1776 F N -1.813 118.296 119.950 0.265 0.000 2.496 1776 F HA 0.166 4.693 4.527 -0.001 0.000 0.274 1776 F C 2.069 177.965 175.800 0.160 0.000 0.924 1776 F CA 0.648 58.787 58.000 0.232 0.000 1.147 1776 F CB -0.247 38.848 39.000 0.160 0.000 0.969 1776 F HN -0.104 nan 8.300 nan 0.000 0.749 1777 T N 1.086 115.844 114.554 0.340 0.000 2.635 1777 T HA -0.355 3.995 4.350 -0.001 0.000 0.265 1777 T C 1.827 176.625 174.700 0.163 0.000 1.058 1777 T CA 2.374 64.600 62.100 0.211 0.000 1.162 1777 T CB -0.637 68.333 68.868 0.169 0.000 0.859 1777 T HN 0.325 nan 8.240 nan 0.000 0.449 1778 Q N 0.626 120.517 119.800 0.150 0.000 1.948 1778 Q HA -0.108 4.231 4.340 -0.001 0.000 0.205 1778 Q C -0.184 175.858 176.000 0.070 0.000 0.992 1778 Q CA 1.671 57.523 55.803 0.081 0.000 0.849 1778 Q CB -1.529 27.245 28.738 0.060 0.000 0.918 1778 Q HN 0.410 nan 8.270 nan 0.000 0.421 1779 P HA -0.291 nan 4.420 nan 0.000 0.220 1779 P C 0.755 178.065 177.300 0.016 0.000 1.155 1779 P CA 2.370 65.506 63.100 0.061 0.000 0.880 1779 P CB -0.140 31.561 31.700 0.001 0.000 0.790 1780 A N -1.000 121.868 122.820 0.080 0.000 1.838 1780 A HA -0.095 4.224 4.320 -0.001 0.000 0.215 1780 A C 2.183 179.802 177.584 0.059 0.000 1.273 1780 A CA 1.093 53.200 52.037 0.117 0.000 0.602 1780 A CB -1.527 17.590 19.000 0.195 0.000 0.934 1780 A HN 0.041 nan 8.150 nan 0.000 0.461 1781 L N 0.026 121.299 121.223 0.083 0.000 2.171 1781 L HA -0.294 4.046 4.340 -0.001 0.000 0.216 1781 L C 2.668 179.540 176.870 0.003 0.000 1.084 1781 L CA 1.874 56.749 54.840 0.059 0.000 0.771 1781 L CB -1.026 41.072 42.059 0.065 0.000 0.890 1781 L HN 0.510 nan 8.230 nan 0.000 0.437 1782 T N -0.247 114.289 114.554 -0.030 0.000 2.613 1782 T HA -0.186 4.163 4.350 -0.001 0.000 0.248 1782 T C 1.847 176.460 174.700 -0.146 0.000 1.107 1782 T CA 0.909 62.966 62.100 -0.071 0.000 1.238 1782 T CB -0.518 68.302 68.868 -0.080 0.000 0.899 1782 T HN 0.214 nan 8.240 nan 0.000 0.400 1783 L N 0.985 122.073 121.223 -0.226 0.000 2.082 1783 L HA -0.281 4.059 4.340 -0.001 0.000 0.223 1783 L C 2.638 179.124 176.870 -0.640 0.000 1.086 1783 L CA 1.858 56.409 54.840 -0.483 0.000 0.793 1783 L CB -0.398 41.284 42.059 -0.628 0.000 0.896 1783 L HN 0.386 nan 8.230 nan 0.000 0.441 1784 M N 0.002 119.340 119.600 -0.436 0.000 2.399 1784 M HA -0.344 4.136 4.480 -0.001 0.000 0.263 1784 M C 2.038 178.289 176.300 -0.082 0.000 1.067 1784 M CA 2.606 57.818 55.300 -0.146 0.000 1.084 1784 M CB -0.786 31.877 32.600 0.105 0.000 1.252 1784 M HN 0.351 nan 8.290 nan 0.000 0.454 1785 E N 0.107 120.284 120.200 -0.038 0.000 2.086 1785 E HA -0.296 4.053 4.350 -0.001 0.000 0.200 1785 E C 1.892 178.492 176.600 -0.000 0.000 1.012 1785 E CA 1.997 58.398 56.400 0.001 0.000 0.812 1785 E CB -0.353 29.344 29.700 -0.005 0.000 0.743 1785 E HN 0.387 nan 8.360 nan 0.000 0.453 1786 K N 1.353 121.707 120.400 -0.076 0.000 1.990 1786 K HA -0.286 4.034 4.320 -0.001 0.000 0.225 1786 K C 1.940 178.538 176.600 -0.004 0.000 1.053 1786 K CA 2.132 58.384 56.287 -0.059 0.000 0.982 1786 K CB -0.986 31.420 32.500 -0.156 0.000 0.734 1786 K HN 0.119 nan 8.250 nan 0.000 0.448 1787 A N 0.575 123.312 122.820 -0.139 0.000 1.873 1787 A HA -0.276 4.043 4.320 -0.001 0.000 0.219 1787 A C 2.452 180.068 177.584 0.053 0.000 1.269 1787 A CA 3.854 55.854 52.037 -0.063 0.000 0.671 1787 A CB -1.771 17.186 19.000 -0.073 0.000 0.842 1787 A HN 0.692 nan 8.150 nan 0.000 0.460 1788 A N -1.502 121.365 122.820 0.080 0.000 1.944 1788 A HA -0.247 4.073 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 2.433 54.525 52.037 0.092 0.000 0.668 1788 A CB -0.993 18.066 19.000 0.098 0.000 0.830 1788 A HN 0.913 nan 8.150 nan 0.000 0.471 1789 F N 0.680 120.609 119.950 -0.034 0.000 1.997 1789 F HA -0.196 4.331 4.527 -0.001 0.000 0.296 1789 F C 2.343 178.123 175.800 -0.033 0.000 1.160 1789 F CA 2.232 60.205 58.000 -0.045 0.000 1.176 1789 F CB -0.576 38.384 39.000 -0.067 0.000 0.964 1789 F HN 0.309 nan 8.300 nan 0.000 0.484 1790 E N 0.458 120.668 120.200 0.016 0.000 2.241 1790 E HA -0.428 3.921 4.350 -0.001 0.000 0.244 1790 E C 1.909 178.403 176.600 -0.176 0.000 1.070 1790 E CA 2.121 58.476 56.400 -0.075 0.000 0.998 1790 E CB -1.528 28.182 29.700 0.017 0.000 0.879 1790 E HN 0.620 nan 8.360 nan 0.000 0.501 1791 D N 0.614 120.962 120.400 -0.087 0.000 2.242 1791 D HA -0.217 4.422 4.640 -0.001 0.000 0.190 1791 D C 2.120 178.334 176.300 -0.144 0.000 1.012 1791 D CA 2.168 56.123 54.000 -0.075 0.000 0.875 1791 D CB -0.313 40.473 40.800 -0.024 0.000 0.922 1791 D HN 0.178 nan 8.370 nan 0.000 0.448 1792 L N -0.563 120.516 121.223 -0.240 0.000 1.921 1792 L HA -0.193 4.147 4.340 -0.001 0.000 0.219 1792 L C 2.591 179.269 176.870 -0.319 0.000 1.081 1792 L CA 1.671 56.334 54.840 -0.295 0.000 0.771 1792 L CB -1.012 40.800 42.059 -0.411 0.000 0.888 1792 L HN 0.063 nan 8.230 nan 0.000 0.433 1793 K N 0.359 120.449 120.400 -0.516 0.000 2.218 1793 K HA -0.183 4.136 4.320 -0.001 0.000 0.205 1793 K C 2.261 178.750 176.600 -0.186 0.000 1.046 1793 K CA 1.623 57.711 56.287 -0.333 0.000 0.933 1793 K CB -0.439 31.848 32.500 -0.354 0.000 0.728 1793 K HN 0.257 nan 8.250 nan 0.000 0.454 1794 S N 0.403 115.996 115.700 -0.179 0.000 2.354 1794 S HA -0.145 4.324 4.470 -0.001 0.000 0.219 1794 S C 1.583 176.137 174.600 -0.078 0.000 1.035 1794 S CA 1.487 59.629 58.200 -0.097 0.000 1.037 1794 S CB -0.224 62.931 63.200 -0.075 0.000 0.956 1794 S HN 0.413 nan 8.310 nan 0.000 0.428 1795 K N 0.650 120.999 120.400 -0.084 0.000 2.555 1795 K HA 0.124 4.444 4.320 -0.001 0.000 0.193 1795 K C 0.682 177.243 176.600 -0.065 0.000 1.032 1795 K CA 0.443 56.693 56.287 -0.061 0.000 1.004 1795 K CB -0.569 31.899 32.500 -0.054 0.000 0.804 1795 K HN 0.616 nan 8.250 nan 0.000 0.496 1796 G N 1.492 110.240 108.800 -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 0.101 174.956 174.900 -0.075 0.000 0.927 1796 G CA -0.305 44.750 45.100 -0.076 0.000 1.147 1796 G HN 0.315 nan 8.290 nan 0.000 0.402 1797 L N 1.871 123.034 121.223 -0.101 0.000 3.503 1797 L HA 0.341 4.680 4.340 -0.001 0.000 0.327 1797 L C 0.831 177.660 176.870 -0.068 0.000 1.108 1797 L CA -0.560 54.232 54.840 -0.081 0.000 1.214 1797 L CB 0.059 42.061 42.059 -0.096 0.000 1.806 1797 L HN 0.385 nan 8.230 nan 0.000 0.610 1798 I N 4.458 124.973 120.570 -0.091 0.000 2.352 1798 I HA 0.205 4.375 4.170 -0.001 0.000 0.290 1798 I C -2.012 174.109 176.117 0.006 0.000 1.036 1798 I CA -1.867 59.415 61.300 -0.030 0.000 1.336 1798 I CB 1.055 39.048 38.000 -0.011 0.000 1.407 1798 I HN -0.110 nan 8.210 nan 0.000 0.497 1799 P HA 0.182 nan 4.420 nan 0.000 0.280 1799 P C 0.685 178.016 177.300 0.052 0.000 1.386 1799 P CA -0.189 62.929 63.100 0.029 0.000 0.899 1799 P CB 1.025 32.740 31.700 0.024 0.000 1.098 1800 A N 4.869 127.723 122.820 0.056 0.000 1.885 1800 A HA -0.261 4.058 4.320 -0.001 0.000 0.260 1800 A C 0.963 178.609 177.584 0.103 0.000 2.398 1800 A CA 2.379 54.461 52.037 0.076 0.000 0.786 1800 A CB -1.649 17.385 19.000 0.057 0.000 0.834 1800 A HN 0.681 nan 8.150 nan 0.000 0.548 1801 D N -0.542 119.908 120.400 0.084 0.000 2.428 1801 D HA 0.606 5.246 4.640 -0.001 0.000 0.221 1801 D C -0.273 176.089 176.300 0.103 0.000 1.123 1801 D CA 0.516 54.574 54.000 0.097 0.000 0.869 1801 D CB 0.858 41.696 40.800 0.062 0.000 1.032 1801 D HN 0.662 nan 8.370 nan 0.000 0.506 1802 A N 2.357 125.273 122.820 0.160 0.000 2.564 1802 A HA 0.730 5.050 4.320 -0.001 0.000 0.288 1802 A C -0.283 177.430 177.584 0.216 0.000 1.164 1802 A CA -0.835 51.278 52.037 0.126 0.000 0.712 1802 A CB 1.456 20.484 19.000 0.045 0.000 1.303 1802 A HN 0.477 nan 8.150 nan 0.000 0.418 1803 T N -0.579 114.062 114.554 0.144 0.000 2.762 1803 T HA 0.597 4.946 4.350 -0.001 0.000 0.303 1803 T C -0.885 173.935 174.700 0.200 0.000 0.977 1803 T CA -0.240 61.970 62.100 0.184 0.000 0.961 1803 T CB -0.795 68.127 68.868 0.089 0.000 0.944 1803 T HN 0.265 nan 8.240 nan 0.000 0.481 1804 F N 2.711 122.641 119.950 -0.034 0.000 2.504 1804 F HA 0.548 5.075 4.527 -0.001 0.000 0.369 1804 F C 0.877 176.648 175.800 -0.049 0.000 1.082 1804 F CA -0.846 57.121 58.000 -0.055 0.000 1.216 1804 F CB 0.220 39.176 39.000 -0.073 0.000 1.108 1804 F HN 0.879 nan 8.300 nan 0.000 0.554 1805 A N 2.066 124.938 122.820 0.086 0.000 2.435 1805 A HA 0.913 5.232 4.320 -0.001 0.000 0.304 1805 A C -0.197 177.402 177.584 0.025 0.000 1.064 1805 A CA -0.043 52.020 52.037 0.044 0.000 0.727 1805 A CB 1.496 20.507 19.000 0.018 0.000 1.284 1805 A HN 0.915 nan 8.150 nan 0.000 0.415 1806 G N -0.720 108.091 108.800 0.018 0.000 2.975 1806 G HA2 0.654 4.614 3.960 -0.001 0.000 0.291 1806 G HA3 0.654 4.614 3.960 -0.001 0.000 0.291 1806 G C -1.390 173.531 174.900 0.035 0.000 1.334 1806 G CA -0.401 44.713 45.100 0.024 0.000 0.843 1806 G HN 1.642 nan 8.290 nan 0.000 0.548 1807 H N -1.871 117.121 119.070 -0.131 0.000 3.351 1807 H HA 0.403 4.959 4.556 -0.001 0.000 0.334 1807 H C 0.364 175.544 175.328 -0.246 0.000 1.557 1807 H CA 0.972 56.861 56.048 -0.266 0.000 1.622 1807 H CB 0.795 30.434 29.762 -0.205 0.000 2.460 1807 H HN 1.412 nan 8.280 nan 0.000 0.344 1808 S N 2.805 118.023 115.700 -0.804 0.000 4.157 1808 S HA -0.352 4.118 4.470 -0.001 0.000 0.521 1808 S C 0.901 175.464 174.600 -0.060 0.000 1.858 1808 S CA 2.480 60.434 58.200 -0.410 0.000 4.242 1808 S CB -1.323 61.744 63.200 -0.223 0.000 0.300 1808 S HN 0.819 nan 8.310 nan 0.000 0.454 1809 L N 1.766 122.982 121.223 -0.012 0.000 2.577 1809 L HA 0.576 4.916 4.340 -0.001 0.000 0.225 1809 L C 2.272 179.212 176.870 0.116 0.000 1.053 1809 L CA 1.782 56.613 54.840 -0.016 0.000 0.866 1809 L CB -0.928 41.058 42.059 -0.122 0.000 1.132 1809 L HN 0.630 nan 8.230 nan 0.000 0.486 1810 G N -0.298 108.552 108.800 0.083 0.000 2.631 1810 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.221 1810 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.221 1810 G C 1.264 176.231 174.900 0.112 0.000 1.095 1810 G CA 1.117 46.272 45.100 0.092 0.000 0.727 1810 G HN 0.550 nan 8.290 nan 0.000 0.587 1811 E N -0.638 119.663 120.200 0.168 0.000 2.072 1811 E HA -0.084 4.265 4.350 -0.001 0.000 0.190 1811 E C 1.944 178.620 176.600 0.128 0.000 0.982 1811 E CA 0.675 57.138 56.400 0.104 0.000 0.803 1811 E CB -0.190 29.517 29.700 0.011 0.000 0.755 1811 E HN 0.755 nan 8.360 nan 0.000 0.453 1812 Y N 0.506 120.788 120.300 -0.030 0.000 2.403 1812 Y HA -0.057 4.493 4.550 -0.001 0.000 0.291 1812 Y C 1.950 177.815 175.900 -0.058 0.000 1.143 1812 Y CA 0.005 58.086 58.100 -0.031 0.000 1.257 1812 Y CB -0.067 38.380 38.460 -0.022 0.000 0.984 1812 Y HN -0.019 nan 8.280 nan 0.000 0.550 1813 A N 0.191 123.090 122.820 0.132 0.000 2.088 1813 A HA 0.370 4.689 4.320 -0.001 0.000 0.218 1813 A C 1.368 178.898 177.584 -0.089 0.000 1.420 1813 A CA 1.139 53.178 52.037 0.003 0.000 1.371 1813 A CB -1.176 17.832 19.000 0.013 0.000 0.788 1813 A HN 0.496 nan 8.150 nan 0.000 0.575 1814 A N -1.592 121.168 122.820 -0.100 0.000 2.731 1814 A HA 0.199 4.519 4.320 -0.001 0.000 0.140 1814 A C 1.319 178.877 177.584 -0.043 0.000 1.416 1814 A CA 0.444 52.367 52.037 -0.191 0.000 2.054 1814 A CB -0.665 18.303 19.000 -0.054 0.000 2.031 1814 A HN 0.276 nan 8.150 nan 0.000 0.920 1815 L N 0.883 122.160 121.223 0.091 0.000 2.021 1815 L HA -0.266 4.074 4.340 -0.001 0.000 0.215 1815 L C 3.042 179.916 176.870 0.007 0.000 1.074 1815 L CA 1.961 56.843 54.840 0.070 0.000 0.760 1815 L CB -0.540 41.475 42.059 -0.073 0.000 0.889 1815 L HN 0.630 nan 8.230 nan 0.000 0.433 1816 A N -0.209 122.605 122.820 -0.010 0.000 1.845 1816 A HA -0.177 4.142 4.320 -0.001 0.000 0.215 1816 A C 2.133 179.669 177.584 -0.080 0.000 1.195 1816 A CA 1.969 54.001 52.037 -0.009 0.000 0.616 1816 A CB -0.721 18.304 19.000 0.042 0.000 0.832 1816 A HN 0.544 nan 8.150 nan 0.000 0.443 1817 S N -0.365 115.216 115.700 -0.199 0.000 2.118 1817 S HA 0.365 4.834 4.470 -0.001 0.000 0.175 1817 S C 0.503 174.815 174.600 -0.480 0.000 1.365 1817 S CA -0.164 57.777 58.200 -0.433 0.000 1.837 1817 S CB -1.257 61.457 63.200 -0.809 0.000 0.537 1817 S HN 0.659 nan 8.310 nan 0.000 0.374 1818 L N 1.530 122.137 121.223 -1.028 0.000 4.355 1818 L HA -0.116 4.224 4.340 -0.001 0.000 0.532 1818 L C 0.720 177.566 176.870 -0.040 0.000 0.971 1818 L CA 0.221 54.650 54.840 -0.684 0.000 0.563 1818 L CB -2.004 39.228 42.059 -1.378 0.000 0.785 1818 L HN 1.064 nan 8.230 nan 0.000 1.040 1819 A N 2.628 125.509 122.820 0.101 0.000 1.786 1819 A HA -0.168 4.151 4.320 -0.001 0.000 0.237 1819 A C 0.754 178.405 177.584 0.111 0.000 1.309 1819 A CA 0.583 52.718 52.037 0.165 0.000 0.713 1819 A CB -1.043 18.115 19.000 0.263 0.000 1.194 1819 A HN 0.821 nan 8.150 nan 0.000 0.252 1820 D N -0.188 120.249 120.400 0.062 0.000 2.309 1820 D HA 0.151 4.790 4.640 -0.001 0.000 0.232 1820 D C 1.738 178.052 176.300 0.023 0.000 1.319 1820 D CA 1.426 55.444 54.000 0.030 0.000 0.884 1820 D CB 0.380 41.197 40.800 0.029 0.000 1.237 1820 D HN 1.352 nan 8.370 nan 0.000 0.507 1821 V N -4.239 115.678 119.914 0.006 0.000 4.290 1821 V HA 0.134 4.253 4.120 -0.001 0.000 0.159 1821 V C 0.881 176.971 176.094 -0.008 0.000 1.350 1821 V CA -0.304 61.992 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 0.349 nan 8.190 nan 0.000 0.608 1822 M N 1.410 121.008 119.600 -0.004 0.000 2.248 1822 M HA 0.562 5.042 4.480 -0.001 0.000 0.215 1822 M C 0.061 176.356 176.300 -0.007 0.000 1.103 1822 M CA -0.273 55.027 55.300 -0.001 0.000 1.154 1822 M CB 0.791 33.400 32.600 0.014 0.000 1.218 1822 M HN 0.269 nan 8.290 nan 0.000 0.623 1823 S N 0.356 116.047 115.700 -0.016 0.000 2.462 1823 S HA 0.365 4.835 4.470 -0.001 0.000 0.294 1823 S C 1.101 175.672 174.600 -0.049 0.000 1.144 1823 S CA -0.638 57.543 58.200 -0.033 0.000 1.088 1823 S CB 0.964 64.135 63.200 -0.047 0.000 1.009 1823 S HN 0.537 nan 8.310 nan 0.000 0.484 1824 I N 2.248 122.790 120.570 -0.047 0.000 2.113 1824 I HA -0.331 3.838 4.170 -0.001 0.000 0.242 1824 I C 2.345 178.403 176.117 -0.098 0.000 1.057 1824 I CA 1.517 62.781 61.300 -0.060 0.000 1.314 1824 I CB -0.258 37.712 38.000 -0.050 0.000 1.022 1824 I HN 0.723 nan 8.210 nan 0.000 0.408 1825 E N 0.752 120.868 120.200 -0.140 0.000 1.964 1825 E HA -0.241 4.109 4.350 -0.001 0.000 0.209 1825 E C 2.018 178.438 176.600 -0.301 0.000 0.988 1825 E CA 1.804 58.027 56.400 -0.295 0.000 0.875 1825 E CB -0.925 28.549 29.700 -0.377 0.000 0.813 1825 E HN 0.367 nan 8.360 nan 0.000 0.533 1826 S N 1.710 117.250 115.700 -0.266 0.000 2.432 1826 S HA -0.243 4.227 4.470 -0.001 0.000 0.243 1826 S C 1.921 176.494 174.600 -0.045 0.000 1.069 1826 S CA 1.542 59.658 58.200 -0.140 0.000 1.047 1826 S CB -0.640 62.525 63.200 -0.058 0.000 0.854 1826 S HN 0.317 nan 8.310 nan 0.000 0.474 1827 L N 1.723 122.927 121.223 -0.031 0.000 2.011 1827 L HA -0.166 4.174 4.340 -0.001 0.000 0.225 1827 L C 2.335 179.241 176.870 0.061 0.000 1.084 1827 L CA 2.194 57.053 54.840 0.032 0.000 0.791 1827 L CB -1.171 40.894 42.059 0.009 0.000 0.898 1827 L HN 0.232 nan 8.230 nan 0.000 0.440 1828 V N -0.476 119.463 119.914 0.042 0.000 2.358 1828 V HA -0.287 3.833 4.120 -0.001 0.000 0.246 1828 V C 2.668 178.879 176.094 0.194 0.000 1.047 1828 V CA 2.127 64.507 62.300 0.134 0.000 1.035 1828 V CB -0.398 31.566 31.823 0.235 0.000 0.658 1828 V HN 0.823 nan 8.190 nan 0.000 0.452 1829 E N -0.246 120.000 120.200 0.077 0.000 2.172 1829 E HA -0.284 4.065 4.350 -0.001 0.000 0.213 1829 E C 2.018 178.762 176.600 0.240 0.000 1.051 1829 E CA 2.814 59.275 56.400 0.101 0.000 0.860 1829 E CB -0.657 29.055 29.700 0.019 0.000 0.755 1829 E HN 0.525 nan 8.360 nan 0.000 0.462 1830 V N -1.082 118.962 119.914 0.217 0.000 2.426 1830 V HA -0.102 4.018 4.120 -0.001 0.000 0.242 1830 V C 2.200 178.429 176.094 0.225 0.000 1.036 1830 V CA 1.361 63.821 62.300 0.266 0.000 1.044 1830 V CB -0.084 31.870 31.823 0.218 0.000 0.688 1830 V HN 0.294 nan 8.190 nan 0.000 0.462 1831 V N 0.593 120.592 119.914 0.141 0.000 2.363 1831 V HA -0.314 3.806 4.120 -0.001 0.000 0.254 1831 V C 2.314 178.510 176.094 0.170 0.000 1.074 1831 V CA 2.939 65.243 62.300 0.006 0.000 1.069 1831 V CB -1.082 30.721 31.823 -0.032 0.000 0.659 1831 V HN 0.698 nan 8.190 nan 0.000 0.455 1832 F N -0.526 119.490 119.950 0.109 0.000 2.128 1832 F HA -0.104 4.422 4.527 -0.001 0.000 0.295 1832 F C 2.233 178.134 175.800 0.168 0.000 1.100 1832 F CA 1.281 59.374 58.000 0.154 0.000 1.260 1832 F CB -0.753 38.398 39.000 0.252 0.000 1.009 1832 F HN 0.210 nan 8.300 nan 0.000 0.476 1833 Y N 0.993 121.273 120.300 -0.034 0.000 2.049 1833 Y HA -0.333 4.217 4.550 -0.001 0.000 0.277 1833 Y C 2.944 178.766 175.900 -0.130 0.000 1.143 1833 Y CA 1.528 59.525 58.100 -0.172 0.000 1.115 1833 Y CB -0.366 38.059 38.460 -0.058 0.000 0.975 1833 Y HN -0.077 nan 8.280 nan 0.000 0.487 1834 R N 1.569 122.139 120.500 0.118 0.000 2.185 1834 R HA -0.171 4.169 4.340 -0.001 0.000 0.247 1834 R C 1.813 178.126 176.300 0.022 0.000 1.159 1834 R CA 1.355 57.462 56.100 0.012 0.000 0.988 1834 R CB -1.152 29.158 30.300 0.017 0.000 0.871 1834 R HN 0.561 nan 8.270 nan 0.000 0.458 1835 G N 1.117 109.942 108.800 0.042 0.000 2.866 1835 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.207 1835 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.207 1835 G C 1.590 176.484 174.900 -0.011 0.000 1.402 1835 G CA 0.973 46.099 45.100 0.043 0.000 0.830 1835 G HN 0.253 nan 8.290 nan 0.000 0.644 1836 M N 0.112 119.643 119.600 -0.115 0.000 2.190 1836 M HA -0.227 4.253 4.480 -0.001 0.000 0.252 1836 M C 2.747 179.026 176.300 -0.035 0.000 1.076 1836 M CA 2.517 57.755 55.300 -0.104 0.000 1.079 1836 M CB -1.227 31.243 32.600 -0.217 0.000 1.303 1836 M HN 0.337 nan 8.290 nan 0.000 0.412 1837 T N 0.401 114.949 114.554 -0.010 0.000 2.653 1837 T HA -0.265 4.085 4.350 -0.001 0.000 0.268 1837 T C 1.463 176.143 174.700 -0.033 0.000 1.035 1837 T CA 1.813 63.901 62.100 -0.019 0.000 1.154 1837 T CB -0.383 68.449 68.868 -0.060 0.000 0.862 1837 T HN 0.482 nan 8.240 nan 0.000 0.441 1838 M N 0.820 120.409 119.600 -0.019 0.000 2.800 1838 M HA -0.044 4.436 4.480 -0.001 0.000 0.235 1838 M C 1.685 177.970 176.300 -0.025 0.000 1.057 1838 M CA 0.872 56.162 55.300 -0.015 0.000 1.066 1838 M CB -0.001 32.608 32.600 0.015 0.000 1.558 1838 M HN 0.131 nan 8.290 nan 0.000 0.551 1839 Q N -0.884 118.899 119.800 -0.029 0.000 2.459 1839 Q HA 0.051 4.391 4.340 -0.001 0.000 0.260 1839 Q C 1.243 177.210 176.000 -0.055 0.000 0.828 1839 Q CA 0.873 56.656 55.803 -0.032 0.000 0.987 1839 Q CB 0.270 29.010 28.738 0.004 0.000 1.216 1839 Q HN 0.393 nan 8.270 nan 0.000 0.558 1840 V N -0.804 119.081 119.914 -0.048 0.000 3.499 1840 V HA 0.550 4.669 4.120 -0.001 0.000 0.308 1840 V C 1.243 177.282 176.094 -0.090 0.000 1.319 1840 V CA 0.881 63.143 62.300 -0.064 0.000 1.194 1840 V CB -0.271 31.528 31.823 -0.040 0.000 1.072 1840 V HN 0.291 nan 8.190 nan 0.000 0.426 1841 A N 0.167 122.924 122.820 -0.105 0.000 2.072 1841 A HA 0.329 4.649 4.320 -0.001 0.000 0.216 1841 A C 1.313 178.801 177.584 -0.160 0.000 1.156 1841 A CA 1.169 53.136 52.037 -0.116 0.000 0.701 1841 A CB 0.059 18.994 19.000 -0.107 0.000 0.816 1841 A HN 0.649 nan 8.150 nan 0.000 0.458 1842 V N 2.772 122.555 119.914 -0.219 0.000 2.435 1842 V HA 0.184 4.303 4.120 -0.001 0.000 0.263 1842 V C -2.526 173.426 176.094 -0.236 0.000 1.087 1842 V CA -1.514 60.595 62.300 -0.317 0.000 1.253 1842 V CB 0.392 31.830 31.823 -0.641 0.000 1.462 1842 V HN 0.336 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 0.243 63.261 63.100 -0.137 0.000 0.767 1843 P CB 1.070 32.695 31.700 -0.125 0.000 0.785 1844 R N 2.657 123.079 120.500 -0.129 0.000 2.643 1844 R HA 0.266 4.606 4.340 -0.001 0.000 0.269 1844 R C -1.150 175.060 176.300 -0.150 0.000 1.037 1844 R CA -0.462 55.558 56.100 -0.133 0.000 0.894 1844 R CB 0.743 30.966 30.300 -0.129 0.000 1.238 1844 R HN 0.534 nan 8.270 nan 0.000 0.459 1845 D N 2.781 123.066 120.400 -0.190 0.000 3.478 1845 D HA -0.156 4.484 4.640 -0.001 0.000 0.219 1845 D C -0.715 175.542 176.300 -0.072 0.000 1.143 1845 D CA 0.936 54.836 54.000 -0.167 0.000 1.047 1845 D CB 0.413 41.044 40.800 -0.282 0.000 0.820 1845 D HN 0.778 nan 8.370 nan 0.000 0.393 1846 E N 1.945 122.121 120.200 -0.040 0.000 2.381 1846 E HA -0.078 4.272 4.350 -0.001 0.000 0.198 1846 E C 1.200 177.812 176.600 0.021 0.000 1.204 1846 E CA -0.100 56.287 56.400 -0.022 0.000 0.998 1846 E CB 0.420 30.102 29.700 -0.030 0.000 1.080 1846 E HN 0.439 nan 8.360 nan 0.000 0.481 1847 L N -1.132 120.106 121.223 0.026 0.000 2.670 1847 L HA 0.361 4.701 4.340 -0.001 0.000 0.177 1847 L C 0.787 177.688 176.870 0.053 0.000 1.181 1847 L CA 1.033 55.904 54.840 0.051 0.000 0.856 1847 L CB 0.978 43.075 42.059 0.064 0.000 1.205 1847 L HN 0.034 nan 8.230 nan 0.000 0.506 1848 G N 0.172 108.992 108.800 0.033 0.000 3.716 1848 G HA2 0.455 4.415 3.960 -0.001 0.000 0.243 1848 G HA3 0.455 4.415 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 0.035 0.000 0.492 1848 G HN 0.437 nan 8.290 nan 0.000 0.256 1849 R N -1.882 118.605 120.500 -0.020 0.000 3.309 1849 R HA 0.764 5.104 4.340 -0.001 0.000 0.270 1849 R C -1.478 174.766 176.300 -0.093 0.000 0.901 1849 R CA -0.518 55.561 56.100 -0.035 0.000 0.793 1849 R CB 0.213 30.502 30.300 -0.018 0.000 1.578 1849 R HN 1.025 nan 8.270 nan 0.000 0.475 1850 S N -1.409 114.238 115.700 -0.088 0.000 2.614 1850 S HA 0.263 4.733 4.470 -0.001 0.000 0.280 1850 S C -1.518 173.104 174.600 0.037 0.000 1.111 1850 S CA -0.698 57.463 58.200 -0.065 0.000 0.847 1850 S CB 1.484 64.681 63.200 -0.004 0.000 1.079 1850 S HN 0.631 nan 8.310 nan 0.000 0.452 1851 N N 1.640 120.392 118.700 0.086 0.000 2.530 1851 N HA 0.259 4.998 4.740 -0.001 0.000 0.216 1851 N C -1.139 174.304 175.510 -0.111 0.000 1.315 1851 N CA 0.601 53.658 53.050 0.011 0.000 0.858 1851 N CB -0.288 38.171 38.487 -0.046 0.000 1.138 1851 N HN 0.380 nan 8.380 nan 0.000 0.473 1852 Y N -1.541 118.721 120.300 -0.063 0.000 2.634 1852 Y HA 0.829 5.378 4.550 -0.001 0.000 0.340 1852 Y C 1.013 176.891 175.900 -0.036 0.000 1.058 1852 Y CA -0.853 57.212 58.100 -0.059 0.000 1.081 1852 Y CB 1.735 40.155 38.460 -0.067 0.000 1.295 1852 Y HN -0.027 nan 8.280 nan 0.000 0.487 1853 G N 0.203 109.087 108.800 0.140 0.000 2.553 1853 G HA2 0.464 4.423 3.960 -0.001 0.000 0.106 1853 G HA3 0.464 4.423 3.960 -0.001 0.000 0.106 1853 G C -1.282 173.641 174.900 0.038 0.000 1.126 1853 G CA -0.239 44.907 45.100 0.076 0.000 1.075 1853 G HN 0.967 nan 8.290 nan 0.000 0.472 1854 M N -0.961 118.653 119.600 0.024 0.000 3.142 1854 M HA 0.597 5.076 4.480 -0.001 0.000 0.246 1854 M C -1.403 174.912 176.300 0.025 0.000 0.834 1854 M CA -0.894 54.410 55.300 0.006 0.000 0.808 1854 M CB 0.941 33.531 32.600 -0.016 0.000 1.572 1854 M HN 1.694 nan 8.290 nan 0.000 0.580 1855 I N -0.921 119.664 120.570 0.026 0.000 3.466 1855 I HA 1.098 5.268 4.170 -0.001 0.000 0.311 1855 I C -1.442 174.714 176.117 0.066 0.000 1.155 1855 I CA -0.799 60.530 61.300 0.047 0.000 0.959 1855 I CB 2.176 40.203 38.000 0.045 0.000 1.332 1855 I HN 1.111 nan 8.210 nan 0.000 0.483 1856 A N 1.615 124.484 122.820 0.083 0.000 2.515 1856 A HA 0.945 5.265 4.320 -0.001 0.000 0.296 1856 A C -1.036 176.619 177.584 0.118 0.000 1.094 1856 A CA -0.678 51.426 52.037 0.112 0.000 0.718 1856 A CB 1.607 20.672 19.000 0.109 0.000 1.307 1856 A HN 0.734 nan 8.150 nan 0.000 0.408 1857 I N 0.148 120.817 120.570 0.164 0.000 3.004 1857 I HA 0.391 4.561 4.170 -0.001 0.000 0.305 1857 I C -1.494 174.753 176.117 0.217 0.000 1.312 1857 I CA -1.044 60.353 61.300 0.162 0.000 0.992 1857 I CB 2.831 40.918 38.000 0.145 0.000 1.282 1857 I HN 0.816 nan 8.210 nan 0.000 0.449 1858 N N 2.063 120.862 118.700 0.164 0.000 2.295 1858 N HA 0.618 5.357 4.740 -0.001 0.000 0.293 1858 N C -3.011 172.569 175.510 0.116 0.000 1.040 1858 N CA -1.724 51.419 53.050 0.155 0.000 0.840 1858 N CB 1.172 39.713 38.487 0.090 0.000 1.468 1858 N HN 0.187 nan 8.380 nan 0.000 0.478 1859 P HA 0.148 nan 4.420 nan 0.000 0.266 1859 P C 0.124 177.406 177.300 -0.029 0.000 1.186 1859 P CA 0.003 63.091 63.100 -0.019 0.000 0.767 1859 P CB 0.454 32.069 31.700 -0.142 0.000 0.820 1860 G N 2.752 111.532 108.800 -0.034 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 -0.764 174.122 174.900 -0.024 0.000 1.475 1860 G CA -0.360 44.737 45.100 -0.004 0.000 0.955 1860 G HN 0.412 nan 8.290 nan 0.000 0.516 1861 R N -0.084 120.361 120.500 -0.091 0.000 2.116 1861 R HA -0.119 4.221 4.340 -0.001 0.000 0.361 1861 R C -0.205 175.987 176.300 -0.180 0.000 1.022 1861 R CA 0.188 56.240 56.100 -0.080 0.000 0.574 1861 R CB -2.239 28.063 30.300 0.003 0.000 1.952 1861 R HN 1.264 nan 8.270 nan 0.000 0.449 1862 V N -1.216 118.556 119.914 -0.237 0.000 3.532 1862 V HA -0.098 4.021 4.120 -0.001 0.000 0.505 1862 V C 0.632 176.238 176.094 -0.814 0.000 0.682 1862 V CA 1.515 63.631 62.300 -0.306 0.000 2.056 1862 V CB -0.758 31.001 31.823 -0.106 0.000 2.484 1862 V HN 1.232 nan 8.190 nan 0.000 0.509 1863 A N 3.162 125.583 122.820 -0.664 0.000 5.274 1863 A HA 1.168 5.488 4.320 -0.001 0.000 0.127 1863 A C 0.321 177.794 177.584 -0.185 0.000 1.033 1863 A CA 0.612 52.108 52.037 -0.901 0.000 1.722 1863 A CB 0.264 18.697 19.000 -0.945 0.000 2.569 1863 A HN 3.024 nan 8.150 nan 0.000 1.155 1864 A N -1.678 121.103 122.820 -0.065 0.000 2.425 1864 A HA 0.449 4.769 4.320 -0.001 0.000 0.682 1864 A C 1.206 178.812 177.584 0.037 0.000 0.148 1864 A CA 1.586 53.627 52.037 0.008 0.000 0.059 1864 A CB -1.927 17.066 19.000 -0.010 0.000 3.953 1864 A HN 2.792 nan 8.150 nan 0.000 0.545 1865 S N 0.961 116.654 115.700 -0.012 0.000 2.884 1865 S HA -0.330 4.139 4.470 -0.001 0.000 0.274 1865 S C 1.202 175.818 174.600 0.026 0.000 1.308 1865 S CA 2.250 60.440 58.200 -0.018 0.000 1.340 1865 S CB -1.820 61.380 63.200 0.000 0.000 1.657 1865 S HN 2.212 nan 8.310 nan 0.000 0.699 1866 F N 2.758 122.634 119.950 -0.125 0.000 2.079 1866 F HA -0.254 4.272 4.527 -0.001 0.000 0.296 1866 F C 2.240 177.991 175.800 -0.082 0.000 1.084 1866 F CA 2.783 60.732 58.000 -0.086 0.000 1.236 1866 F CB -0.754 38.199 39.000 -0.080 0.000 0.984 1866 F HN 0.643 nan 8.300 nan 0.000 0.488 1867 S N -1.732 113.938 115.700 -0.051 0.000 2.603 1867 S HA 0.083 4.553 4.470 -0.001 0.000 0.232 1867 S C 1.529 176.071 174.600 -0.095 0.000 1.016 1867 S CA 0.215 58.332 58.200 -0.138 0.000 0.976 1867 S CB -0.146 62.993 63.200 -0.101 0.000 0.921 1867 S HN 0.548 nan 8.310 nan 0.000 0.516 1868 Q N 1.423 121.174 119.800 -0.083 0.000 2.268 1868 Q HA -0.174 4.166 4.340 -0.001 0.000 0.210 1868 Q C 1.669 177.661 176.000 -0.014 0.000 0.988 1868 Q CA 2.170 57.944 55.803 -0.049 0.000 0.883 1868 Q CB -0.077 28.644 28.738 -0.028 0.000 0.911 1868 Q HN 0.785 nan 8.270 nan 0.000 0.430 1869 E N -1.986 118.194 120.200 -0.034 0.000 2.421 1869 E HA 0.163 4.513 4.350 -0.001 0.000 0.209 1869 E C 1.614 178.193 176.600 -0.035 0.000 0.871 1869 E CA 0.397 56.804 56.400 0.012 0.000 1.064 1869 E CB 0.227 29.906 29.700 -0.035 0.000 1.075 1869 E HN 0.373 nan 8.360 nan 0.000 0.513 1870 A N 1.433 124.166 122.820 -0.145 0.000 2.139 1870 A HA -0.156 4.163 4.320 -0.001 0.000 0.221 1870 A C 2.022 179.581 177.584 -0.040 0.000 1.159 1870 A CA 1.041 52.982 52.037 -0.161 0.000 0.662 1870 A CB -0.364 18.478 19.000 -0.263 0.000 0.796 1870 A HN 0.304 nan 8.150 nan 0.000 0.463 1871 L N -1.890 119.325 121.223 -0.015 0.000 2.265 1871 L HA 0.074 4.414 4.340 -0.001 0.000 0.195 1871 L C 2.283 179.187 176.870 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 -0.969 118.877 119.800 0.077 0.000 2.576 1872 Q HA -0.211 4.128 4.340 -0.001 0.000 0.218 1872 Q C 0.510 176.619 176.000 0.183 0.000 0.983 1872 Q CA 1.160 57.026 55.803 0.106 0.000 0.920 1872 Q CB 0.023 28.828 28.738 0.110 0.000 0.973 1872 Q HN 0.628 nan 8.270 nan 0.000 0.528 1873 Y N -2.346 117.937 120.300 -0.028 0.000 2.531 1873 Y HA 0.126 4.675 4.550 -0.001 0.000 0.249 1873 Y C 1.023 176.911 175.900 -0.020 0.000 1.168 1873 Y CA -0.200 57.885 58.100 -0.025 0.000 1.226 1873 Y CB 1.199 39.639 38.460 -0.034 0.000 1.177 1873 Y HN -0.016 nan 8.280 nan 0.000 0.527 1874 V N -2.531 117.437 119.914 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 0.765 63.096 62.300 0.052 0.000 1.106 1874 V CB -0.028 31.823 31.823 0.046 0.000 0.826 1874 V HN 0.027 nan 8.190 nan 0.000 0.465 1875 V N 0.867 120.787 119.914 0.010 0.000 2.913 1875 V HA -0.201 3.919 4.120 -0.001 0.000 0.260 1875 V C 2.286 178.367 176.094 -0.022 0.000 1.098 1875 V CA 2.024 64.320 62.300 -0.007 0.000 1.121 1875 V CB -0.723 31.093 31.823 -0.012 0.000 0.714 1875 V HN 0.709 nan 8.190 nan 0.000 0.487 1876 E N 0.344 120.514 120.200 -0.049 0.000 2.418 1876 E HA -0.169 4.180 4.350 -0.001 0.000 0.197 1876 E C 2.006 178.576 176.600 -0.050 0.000 1.026 1876 E CA 0.616 56.965 56.400 -0.085 0.000 0.862 1876 E CB 0.207 29.796 29.700 -0.184 0.000 0.799 1876 E HN 0.412 nan 8.360 nan 0.000 0.518 1877 R N -1.154 119.338 120.500 -0.014 0.000 2.539 1877 R HA 0.103 4.443 4.340 -0.001 0.000 0.342 1877 R C 0.706 177.039 176.300 0.055 0.000 0.941 1877 R CA 0.765 56.870 56.100 0.007 0.000 1.146 1877 R CB 1.086 31.386 30.300 0.000 0.000 1.541 1877 R HN 0.164 nan 8.270 nan 0.000 0.525 1878 V N -6.089 113.873 119.914 0.081 0.000 5.003 1878 V HA 0.706 4.825 4.120 -0.001 0.000 0.132 1878 V C 0.299 176.434 176.094 0.069 0.000 1.227 1878 V CA 0.273 62.681 62.300 0.180 0.000 1.094 1878 V CB 0.555 32.609 31.823 0.384 0.000 1.358 1878 V HN 0.052 nan 8.190 nan 0.000 0.637 1879 G N 1.367 110.158 108.800 -0.015 0.000 2.163 1879 G HA2 0.552 4.512 3.960 -0.001 0.000 0.191 1879 G HA3 0.552 4.512 3.960 -0.001 0.000 0.191 1879 G C -1.108 173.715 174.900 -0.128 0.000 1.517 1879 G CA -0.029 45.025 45.100 -0.076 0.000 1.024 1879 G HN 1.385 nan 8.290 nan 0.000 0.664 1880 K N 0.664 121.015 120.400 -0.083 0.000 2.801 1880 K HA 0.660 4.980 4.320 -0.001 0.000 0.287 1880 K C -1.277 175.292 176.600 -0.053 0.000 1.084 1880 K CA -1.295 54.941 56.287 -0.086 0.000 0.901 1880 K CB 1.006 33.443 32.500 -0.104 0.000 1.405 1880 K HN 0.511 nan 8.250 nan 0.000 0.378 1881 R N 0.442 120.909 120.500 -0.056 0.000 2.930 1881 R HA 0.538 4.878 4.340 -0.001 0.000 0.257 1881 R C -0.723 175.548 176.300 -0.049 0.000 1.107 1881 R CA -0.648 55.427 56.100 -0.042 0.000 0.999 1881 R CB 1.739 32.013 30.300 -0.043 0.000 1.209 1881 R HN 0.915 nan 8.270 nan 0.000 0.486 1882 T N -1.333 113.205 114.554 -0.028 0.000 2.749 1882 T HA 0.340 4.689 4.350 -0.001 0.000 0.295 1882 T C 1.192 175.861 174.700 -0.051 0.000 0.936 1882 T CA -0.341 61.753 62.100 -0.011 0.000 1.060 1882 T CB 1.309 70.199 68.868 0.037 0.000 0.904 1882 T HN 0.579 nan 8.240 nan 0.000 0.500 1883 G N 2.666 111.395 108.800 -0.119 0.000 2.529 1883 G HA2 0.151 4.110 3.960 -0.001 0.000 0.167 1883 G HA3 0.151 4.110 3.960 -0.001 0.000 0.167 1883 G C -0.266 174.518 174.900 -0.194 0.000 1.615 1883 G CA -0.469 44.416 45.100 -0.357 0.000 0.885 1883 G HN 0.830 nan 8.290 nan 0.000 0.394 1884 W N -1.012 120.345 121.300 0.096 0.000 2.509 1884 W HA 0.663 5.323 4.660 -0.001 0.000 0.351 1884 W C -0.203 176.402 176.519 0.144 0.000 1.107 1884 W CA -0.994 56.413 57.345 0.103 0.000 1.264 1884 W CB 1.290 30.823 29.460 0.120 0.000 1.312 1884 W HN -0.040 nan 8.180 nan 0.000 0.608 1885 L N 3.334 124.786 121.223 0.381 0.000 2.556 1885 L HA 0.110 4.450 4.340 -0.001 0.000 0.243 1885 L C 1.194 178.085 176.870 0.036 0.000 1.331 1885 L CA -0.452 54.557 54.840 0.281 0.000 0.927 1885 L CB 0.193 42.509 42.059 0.428 0.000 1.219 1885 L HN 0.582 nan 8.230 nan 0.000 0.490 1886 V N -2.046 117.863 119.914 -0.007 0.000 2.324 1886 V HA -0.100 4.020 4.120 -0.001 0.000 0.250 1886 V C 0.630 176.608 176.094 -0.192 0.000 1.060 1886 V CA 1.679 63.938 62.300 -0.068 0.000 1.042 1886 V CB -0.319 31.478 31.823 -0.043 0.000 0.650 1886 V HN 0.698 nan 8.190 nan 0.000 0.450 1887 E N -2.293 117.640 120.200 -0.445 0.000 2.388 1887 E HA 0.333 4.682 4.350 -0.001 0.000 0.281 1887 E C 0.039 176.247 176.600 -0.652 0.000 1.046 1887 E CA -0.050 56.106 56.400 -0.406 0.000 0.825 1887 E CB 0.909 30.493 29.700 -0.193 0.000 1.243 1887 E HN 0.137 nan 8.360 nan 0.000 0.438 1888 I N 1.741 122.200 120.570 -0.186 0.000 2.227 1888 I HA -0.221 3.948 4.170 -0.001 0.000 0.250 1888 I C 0.476 176.743 176.117 0.249 0.000 1.087 1888 I CA 1.607 63.016 61.300 0.181 0.000 1.352 1888 I CB 0.267 38.341 38.000 0.124 0.000 1.043 1888 I HN 0.338 nan 8.210 nan 0.000 0.425 1889 V N 1.971 121.906 119.914 0.035 0.000 2.993 1889 V HA 0.293 4.413 4.120 -0.001 0.000 0.377 1889 V C -0.259 175.847 176.094 0.021 0.000 1.318 1889 V CA -0.201 62.135 62.300 0.060 0.000 1.312 1889 V CB -0.875 30.959 31.823 0.018 0.000 1.342 1889 V HN 0.544 nan 8.190 nan 0.000 0.544 1890 N N 1.028 119.696 118.700 -0.052 0.000 4.296 1890 N HA 0.132 4.872 4.740 -0.001 0.000 0.183 1890 N C -2.125 173.224 175.510 -0.268 0.000 1.159 1890 N CA -0.199 52.806 53.050 -0.074 0.000 0.980 1890 N CB 1.099 39.529 38.487 -0.095 0.000 1.621 1890 N HN 0.184 nan 8.380 nan 0.000 0.861 1891 Y N 0.989 121.337 120.300 0.080 0.000 2.442 1891 Y HA 0.432 4.982 4.550 -0.001 0.000 0.344 1891 Y C 0.412 176.369 175.900 0.095 0.000 0.976 1891 Y CA -0.855 57.302 58.100 0.096 0.000 1.040 1891 Y CB 1.510 40.022 38.460 0.086 0.000 1.228 1891 Y HN 0.284 nan 8.280 nan 0.000 0.451 1892 N N 2.482 121.336 118.700 0.256 0.000 2.420 1892 N HA 0.189 4.928 4.740 -0.001 0.000 0.262 1892 N C -1.095 174.465 175.510 0.084 0.000 1.144 1892 N CA -0.040 53.110 53.050 0.168 0.000 0.952 1892 N CB 1.505 40.118 38.487 0.209 0.000 1.081 1892 N HN 0.266 nan 8.380 nan 0.000 0.480 1893 V N 3.365 123.308 119.914 0.049 0.000 2.333 1893 V HA 0.101 4.221 4.120 -0.001 0.000 0.274 1893 V C 0.886 176.947 176.094 -0.056 0.000 1.028 1893 V CA -0.766 61.537 62.300 0.005 0.000 0.851 1893 V CB 0.893 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 3.363 123.500 120.200 -0.106 0.000 2.563 1894 E HA 0.175 4.525 4.350 -0.001 0.000 0.260 1894 E C -0.252 176.298 176.600 -0.083 0.000 1.391 1894 E CA 0.075 56.397 56.400 -0.131 0.000 1.079 1894 E CB 0.479 30.090 29.700 -0.149 0.000 0.984 1894 E HN 0.639 nan 8.360 nan 0.000 0.563 1895 N N -0.069 118.586 118.700 -0.074 0.000 2.636 1895 N HA 0.055 4.794 4.740 -0.001 0.000 0.261 1895 N C -1.884 173.489 175.510 -0.228 0.000 1.195 1895 N CA -0.368 52.616 53.050 -0.110 0.000 0.902 1895 N CB 1.782 40.226 38.487 -0.071 0.000 1.627 1895 N HN 0.211 nan 8.380 nan 0.000 0.491 1896 Q N 2.663 122.251 119.800 -0.354 0.000 3.429 1896 Q HA 0.239 4.578 4.340 -0.001 0.000 0.237 1896 Q C 0.469 176.129 176.000 -0.568 0.000 0.932 1896 Q CA -0.206 55.221 55.803 -0.627 0.000 0.731 1896 Q CB 0.590 28.976 28.738 -0.586 0.000 1.383 1896 Q HN 0.657 nan 8.270 nan 0.000 0.446 1897 Q N 1.559 121.113 119.800 -0.410 0.000 2.778 1897 Q HA -0.378 3.961 4.340 -0.001 0.000 0.431 1897 Q C 0.586 176.527 176.000 -0.099 0.000 0.625 1897 Q CA 3.337 59.027 55.803 -0.188 0.000 1.030 1897 Q CB -1.563 27.115 28.738 -0.101 0.000 1.361 1897 Q HN 0.881 nan 8.270 nan 0.000 1.036 1898 Y N -0.860 119.410 120.300 -0.051 0.000 2.736 1898 Y HA 0.166 4.716 4.550 -0.001 0.000 0.298 1898 Y C 1.785 177.666 175.900 -0.032 0.000 1.156 1898 Y CA 0.758 58.843 58.100 -0.026 0.000 1.384 1898 Y CB -0.680 37.767 38.460 -0.023 0.000 0.976 1898 Y HN 0.117 nan 8.280 nan 0.000 0.556 1899 V N 0.147 119.986 119.914 -0.125 0.000 2.535 1899 V HA -0.108 4.011 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 1.231 63.476 62.300 -0.091 0.000 1.058 1899 V CB -0.640 31.063 31.823 -0.201 0.000 0.689 1899 V HN 0.645 nan 8.190 nan 0.000 0.461 1900 A N 0.185 122.994 122.820 -0.017 0.000 1.858 1900 A HA 0.085 4.404 4.320 -0.001 0.000 0.215 1900 A C 2.357 179.965 177.584 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 17.738 19.000 0.011 0.000 0.976 1900 A HN 0.533 nan 8.150 nan 0.000 0.470 1901 A N -0.874 121.979 122.820 0.054 0.000 2.139 1901 A HA 0.081 4.401 4.320 -0.001 0.000 0.221 1901 A C 2.099 179.723 177.584 0.067 0.000 1.159 1901 A CA 2.065 54.140 52.037 0.062 0.000 0.662 1901 A CB -1.095 17.951 19.000 0.077 0.000 0.796 1901 A HN 0.823 nan 8.150 nan 0.000 0.463 1902 G N -0.743 108.108 108.800 0.085 0.000 2.490 1902 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.211 1902 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.211 1902 G C 1.371 176.309 174.900 0.064 0.000 1.159 1902 G CA 1.065 46.221 45.100 0.094 0.000 0.819 1902 G HN 0.587 nan 8.290 nan 0.000 0.539 1903 D N 0.805 121.235 120.400 0.051 0.000 2.144 1903 D HA -0.042 4.597 4.640 -0.001 0.000 0.207 1903 D C 2.602 178.918 176.300 0.027 0.000 0.970 1903 D CA 0.252 54.271 54.000 0.032 0.000 0.853 1903 D CB -0.283 40.528 40.800 0.019 0.000 1.007 1903 D HN 0.219 nan 8.370 nan 0.000 0.469 1904 L N 0.561 121.802 121.223 0.030 0.000 2.125 1904 L HA -0.332 4.008 4.340 -0.001 0.000 0.234 1904 L C 2.857 179.745 176.870 0.030 0.000 1.110 1904 L CA 2.173 57.033 54.840 0.032 0.000 0.832 1904 L CB -0.770 41.311 42.059 0.036 0.000 0.922 1904 L HN 0.142 nan 8.230 nan 0.000 0.449 1905 R N -0.178 120.338 120.500 0.028 0.000 2.103 1905 R HA -0.181 4.158 4.340 -0.001 0.000 0.242 1905 R C 2.169 178.479 176.300 0.017 0.000 1.142 1905 R CA 1.623 57.736 56.100 0.023 0.000 0.960 1905 R CB -1.566 28.746 30.300 0.020 0.000 0.858 1905 R HN 0.530 nan 8.270 nan 0.000 0.439 1906 A N 2.560 125.387 122.820 0.012 0.000 1.852 1906 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 1906 A C 2.481 180.062 177.584 -0.005 0.000 1.215 1906 A CA 2.323 54.358 52.037 -0.003 0.000 0.641 1906 A CB -1.011 17.983 19.000 -0.010 0.000 0.838 1906 A HN 0.342 nan 8.150 nan 0.000 0.450 1907 L N -1.659 119.565 121.223 0.002 0.000 2.079 1907 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 1907 L C 2.167 179.067 176.870 0.050 0.000 1.081 1907 L CA 2.005 56.860 54.840 0.026 0.000 0.752 1907 L CB -1.004 41.085 42.059 0.050 0.000 0.896 1907 L HN 0.364 nan 8.230 nan 0.000 0.433 1908 D N 0.099 120.523 120.400 0.040 0.000 2.309 1908 D HA -0.125 4.515 4.640 -0.001 0.000 0.212 1908 D C 1.774 178.095 176.300 0.035 0.000 0.968 1908 D CA 1.473 55.498 54.000 0.041 0.000 0.882 1908 D CB 0.302 41.122 40.800 0.034 0.000 0.918 1908 D HN 0.432 nan 8.370 nan 0.000 0.503 1909 T N -0.704 113.866 114.554 0.027 0.000 3.021 1909 T HA -0.001 4.348 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 0.231 62.344 62.100 0.021 0.000 1.139 1909 T CB 0.114 68.987 68.868 0.010 0.000 0.884 1909 T HN -0.056 nan 8.240 nan 0.000 0.457 1910 V N 1.933 121.864 119.914 0.029 0.000 2.370 1910 V HA -0.223 3.896 4.120 -0.001 0.000 0.252 1910 V C 2.691 178.834 176.094 0.081 0.000 1.068 1910 V CA 2.110 64.438 62.300 0.047 0.000 1.061 1910 V CB -1.161 30.690 31.823 0.047 0.000 0.656 1910 V HN 0.508 nan 8.190 nan 0.000 0.455 1911 T N 0.115 114.719 114.554 0.084 0.000 3.139 1911 T HA -0.090 4.260 4.350 -0.001 0.000 0.267 1911 T C 1.078 175.811 174.700 0.055 0.000 1.164 1911 T CA 0.572 62.720 62.100 0.080 0.000 1.075 1911 T CB -0.751 68.161 68.868 0.073 0.000 0.904 1911 T HN 0.505 nan 8.240 nan 0.000 0.540 1912 N N 2.454 121.181 118.700 0.045 0.000 2.683 1912 N HA 0.100 4.840 4.740 -0.001 0.000 0.256 1912 N C 0.329 175.859 175.510 0.033 0.000 1.270 1912 N CA 0.381 53.450 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 -2.582 117.357 119.914 0.041 0.000 6.104 1913 V HA -0.250 3.870 4.120 -0.001 0.000 0.260 1913 V C -0.812 175.307 176.094 0.042 0.000 0.610 1913 V CA 0.279 62.604 62.300 0.041 0.000 0.645 1913 V CB -2.254 29.586 31.823 0.030 0.000 0.494 1913 V HN 0.155 nan 8.190 nan 0.000 0.545 1914 L N 3.199 124.457 121.223 0.059 0.000 2.529 1914 L HA 0.678 5.017 4.340 -0.001 0.000 0.260 1914 L C 0.510 177.435 176.870 0.093 0.000 0.997 1914 L CA -0.088 54.785 54.840 0.054 0.000 0.885 1914 L CB 1.381 43.459 42.059 0.032 0.000 1.185 1914 L HN 0.659 nan 8.230 nan 0.000 0.442 1915 N N 2.706 121.464 118.700 0.097 0.000 2.168 1915 N HA 0.118 4.858 4.740 -0.001 0.000 0.241 1915 N C -0.842 174.802 175.510 0.223 0.000 1.239 1915 N CA 0.859 54.000 53.050 0.153 0.000 0.906 1915 N CB -0.002 38.557 38.487 0.121 0.000 0.948 1915 N HN 0.393 nan 8.380 nan 0.000 0.399 1916 F N 0.025 120.013 119.950 0.065 0.000 2.671 1916 F HA 0.505 5.031 4.527 -0.001 0.000 0.332 1916 F C -1.031 174.788 175.800 0.031 0.000 1.189 1916 F CA -0.553 57.482 58.000 0.058 0.000 0.988 1916 F CB 0.500 39.553 39.000 0.087 0.000 1.258 1916 F HN 0.161 nan 8.300 nan 0.000 0.471 1917 I N 2.190 122.723 120.570 -0.061 0.000 4.117 1917 I HA 0.267 4.436 4.170 -0.001 0.000 0.258 1917 I C 0.345 176.385 176.117 -0.129 0.000 1.024 1917 I CA -0.775 60.533 61.300 0.013 0.000 1.482 1917 I CB -0.237 37.778 38.000 0.023 0.000 1.147 1917 I HN 0.286 nan 8.210 nan 0.000 0.382 1918 K N 0.783 121.143 120.400 -0.068 0.000 2.458 1918 K HA -0.207 4.113 4.320 -0.001 0.000 0.146 1918 K C -0.130 176.427 176.600 -0.072 0.000 1.423 1918 K CA 0.928 57.173 56.287 -0.070 0.000 0.757 1918 K CB -1.271 31.178 32.500 -0.085 0.000 0.547 1918 K HN 0.618 nan 8.250 nan 0.000 1.002 1919 L N 2.078 123.261 121.223 -0.068 0.000 2.315 1919 L HA 0.082 4.421 4.340 -0.001 0.000 0.283 1919 L C 0.690 177.517 176.870 -0.071 0.000 1.089 1919 L CA -0.122 54.687 54.840 -0.051 0.000 0.833 1919 L CB 0.473 42.511 42.059 -0.034 0.000 1.170 1919 L HN 0.329 nan 8.230 nan 0.000 0.442 1920 Q N 3.958 123.725 119.800 -0.054 0.000 2.272 1920 Q HA 0.360 4.700 4.340 -0.001 0.000 0.192 1920 Q C 0.098 176.085 176.000 -0.022 0.000 1.059 1920 Q CA -0.233 55.537 55.803 -0.055 0.000 1.084 1920 Q CB 0.929 29.655 28.738 -0.020 0.000 1.139 1920 Q HN 0.724 nan 8.270 nan 0.000 0.593 1921 K N -1.173 119.224 120.400 -0.004 0.000 10.370 1921 K HA -0.228 4.092 4.320 -0.001 0.000 0.516 1921 K C 0.170 176.788 176.600 0.030 0.000 0.421 1921 K CA 1.435 57.739 56.287 0.028 0.000 1.936 1921 K CB -1.462 31.052 32.500 0.024 0.000 0.739 1921 K HN 0.494 nan 8.250 nan 0.000 1.154 1922 I N 3.564 124.139 120.570 0.009 0.000 2.553 1922 I HA 0.017 4.187 4.170 -0.001 0.000 0.295 1922 I C -0.098 176.014 176.117 -0.008 0.000 1.128 1922 I CA 0.508 61.811 61.300 0.006 0.000 2.128 1922 I CB -0.786 37.212 38.000 -0.003 0.000 1.543 1922 I HN 0.262 nan 8.210 nan 0.000 0.970 1923 D N 3.066 123.468 120.400 0.003 0.000 3.236 1923 D HA 0.478 5.118 4.640 -0.001 0.000 0.325 1923 D C 0.463 176.773 176.300 0.017 0.000 1.352 1923 D CA -0.568 53.419 54.000 -0.021 0.000 0.979 1923 D CB 1.329 42.082 40.800 -0.077 0.000 1.410 1923 D HN -0.163 nan 8.370 nan 0.000 0.588 1924 I N -0.357 120.201 120.570 -0.020 0.000 5.599 1924 I HA -0.382 3.787 4.170 -0.001 0.000 0.127 1924 I C 1.452 177.614 176.117 0.076 0.000 1.256 1924 I CA 0.767 62.077 61.300 0.016 0.000 2.591 1924 I CB -1.094 36.920 38.000 0.024 0.000 2.224 1924 I HN 0.893 nan 8.210 nan 0.000 0.310 1925 I N -1.638 118.999 120.570 0.112 0.000 3.751 1925 I HA -0.363 3.807 4.170 -0.001 0.000 0.238 1925 I C 1.632 177.768 176.117 0.031 0.000 0.999 1925 I CA 1.534 62.879 61.300 0.075 0.000 1.408 1925 I CB -1.353 36.686 38.000 0.065 0.000 1.581 1925 I HN 0.630 nan 8.210 nan 0.000 0.352 1926 E N 1.415 121.626 120.200 0.019 0.000 2.016 1926 E HA 0.015 4.365 4.350 -0.001 0.000 0.200 1926 E C 1.825 178.425 176.600 -0.001 0.000 0.949 1926 E CA 0.746 57.147 56.400 0.002 0.000 0.879 1926 E CB -0.103 29.591 29.700 -0.010 0.000 0.846 1926 E HN 0.461 nan 8.360 nan 0.000 0.507 1927 L N 1.537 122.757 121.223 -0.006 0.000 2.549 1927 L HA -0.156 4.184 4.340 -0.001 0.000 0.229 1927 L C 2.535 179.406 176.870 0.002 0.000 1.158 1927 L CA 0.335 55.172 54.840 -0.004 0.000 0.842 1927 L CB -0.246 41.808 42.059 -0.008 0.000 0.952 1927 L HN 0.266 nan 8.230 nan 0.000 0.452 1928 Q N 0.451 120.256 119.800 0.007 0.000 1.856 1928 Q HA -0.191 4.148 4.340 -0.001 0.000 0.233 1928 Q C 1.818 177.827 176.000 0.014 0.000 0.995 1928 Q CA 1.287 57.100 55.803 0.018 0.000 0.877 1928 Q CB -0.219 28.540 28.738 0.035 0.000 0.937 1928 Q HN 0.290 nan 8.270 nan 0.000 0.423 1929 K N 0.895 121.301 120.400 0.010 0.000 2.589 1929 K HA -0.048 4.271 4.320 -0.001 0.000 0.195 1929 K C 1.844 178.439 176.600 -0.008 0.000 1.040 1929 K CA 0.390 56.676 56.287 -0.002 0.000 0.950 1929 K CB -0.319 32.178 32.500 -0.005 0.000 0.781 1929 K HN 0.137 nan 8.250 nan 0.000 0.486 1930 S N 0.854 116.552 115.700 -0.003 0.000 2.317 1930 S HA 0.030 4.500 4.470 -0.001 0.000 0.212 1930 S C 1.645 176.242 174.600 -0.006 0.000 1.030 1930 S CA 0.415 58.612 58.200 -0.006 0.000 0.970 1930 S CB 0.068 63.266 63.200 -0.004 0.000 0.928 1930 S HN 0.285 nan 8.310 nan 0.000 0.451 1931 L N 1.304 122.527 121.223 -0.000 0.000 2.607 1931 L HA 0.251 4.591 4.340 -0.001 0.000 0.228 1931 L C 2.453 179.327 176.870 0.007 0.000 1.123 1931 L CA 0.408 55.250 54.840 0.003 0.000 0.890 1931 L CB -0.261 41.803 42.059 0.008 0.000 1.103 1931 L HN 0.384 nan 8.230 nan 0.000 0.468 1932 S N 1.031 116.735 115.700 0.007 0.000 2.335 1932 S HA -0.019 4.451 4.470 -0.001 0.000 0.217 1932 S C 1.642 176.226 174.600 -0.026 0.000 1.032 1932 S CA 0.825 59.034 58.200 0.016 0.000 0.985 1932 S CB -0.068 63.149 63.200 0.029 0.000 0.896 1932 S HN 0.402 nan 8.310 nan 0.000 0.445 1933 L N 1.388 122.583 121.223 -0.047 0.000 2.660 1933 L HA 0.240 4.580 4.340 -0.001 0.000 0.238 1933 L C 2.162 178.992 176.870 -0.066 0.000 1.161 1933 L CA 0.408 55.195 54.840 -0.087 0.000 0.937 1933 L CB -0.223 41.791 42.059 -0.075 0.000 1.122 1933 L HN 0.533 nan 8.230 nan 0.000 0.435 1934 E N -0.143 120.032 120.200 -0.041 0.000 2.244 1934 E HA -0.075 4.274 4.350 -0.001 0.000 0.196 1934 E C 1.441 178.030 176.600 -0.017 0.000 0.939 1934 E CA 0.217 56.602 56.400 -0.025 0.000 0.884 1934 E CB 0.562 30.255 29.700 -0.011 0.000 0.850 1934 E HN 0.317 nan 8.360 nan 0.000 0.481 1935 E N 0.541 120.737 120.200 -0.006 0.000 2.307 1935 E HA -0.037 4.313 4.350 -0.001 0.000 0.195 1935 E C 1.987 178.595 176.600 0.014 0.000 0.975 1935 E CA 0.356 56.767 56.400 0.018 0.000 0.878 1935 E CB 0.069 29.794 29.700 0.042 0.000 0.845 1935 E HN 0.152 nan 8.360 nan 0.000 0.488 1936 V N 1.406 121.298 119.914 -0.036 0.000 2.982 1936 V HA -0.192 3.928 4.120 -0.001 0.000 0.265 1936 V C 1.462 177.487 176.094 -0.116 0.000 1.122 1936 V CA 2.079 64.307 62.300 -0.119 0.000 1.143 1936 V CB -0.120 31.414 31.823 -0.483 0.000 0.726 1936 V HN 0.185 nan 8.190 nan 0.000 0.507 1937 E N -1.269 118.885 120.200 -0.078 0.000 2.630 1937 E HA 0.225 4.575 4.350 -0.001 0.000 0.218 1937 E C 1.756 178.346 176.600 -0.016 0.000 0.977 1937 E CA 0.503 56.865 56.400 -0.064 0.000 1.038 1937 E CB 0.298 29.953 29.700 -0.074 0.000 1.051 1937 E HN 0.582 nan 8.360 nan 0.000 0.487 1938 G N 0.186 108.995 108.800 0.016 0.000 2.956 1938 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.207 1938 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.207 1938 G C 0.308 175.282 174.900 0.123 0.000 1.162 1938 G CA 0.817 45.946 45.100 0.047 0.000 0.796 1938 G HN 0.314 nan 8.290 nan 0.000 0.527 1939 H N -2.446 116.602 119.070 -0.038 0.000 3.033 1939 H HA 0.182 4.737 4.556 -0.001 0.000 0.243 1939 H C 0.052 175.319 175.328 -0.101 0.000 1.543 1939 H CA -0.487 55.526 56.048 -0.059 0.000 1.216 1939 H CB -0.336 29.408 29.762 -0.030 0.000 1.858 1939 H HN -0.165 nan 8.280 nan 0.000 0.738 1940 L N -0.951 119.528 121.223 -1.240 0.000 2.738 1940 L HA 0.417 4.757 4.340 -0.001 0.000 0.175 1940 L C 0.181 176.639 176.870 -0.687 0.000 1.125 1940 L CA 0.288 54.507 54.840 -1.034 0.000 0.857 1940 L CB 0.548 41.802 42.059 -1.342 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 0.215 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 0.298 0.000 0.000 2051 ? CB 0.000 9999.040 9999.000 0.072 0.000 0.000 2051 ? HN 0.000 nan 9999.000 nan 0.000 0.000