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 2dw7_1_G DATA FIRST_RESID 2 DATA SEQUENCE SVRIVDVREI TKPISSPIRN AYIDFTKMTT SLVAVVTDVV REGKRVVGYG DATA SEQUENCE FNSNGRYGQG GLIRERFASR ILEADPKKLL NEAGDNLDPD KVWAAMMINE DATA SEQUENCE KPGGHGERSV AVGTIDMAVW DAVAKIAGKP LFRLLAERHG VKANPRVFVY DATA SEQUENCE AAGGYYYPGK GLSMLRGEMR GYLDRGYNVV KMKIGGAPIE EDRMRIEAVL DATA SEQUENCE EEIGKDAQLA VDANGRFNLE TGIAYAKMLR DYPLFWYEEV GDPLDYALQA DATA SEQUENCE ALAEFYPGPM ATGENLFSHQ DARNLLRYGG MRPDRDWLQF DCALSYGLCE DATA SEQUENCE YQRTLEVLKT HGWSPSRCIP HGGHQMSLNI AAGLGLGGNE SYPDLFQPYG DATA SEQUENCE GFPDGVRVEN GHITMPDLPG IGFEGKSDLY KEMKALAE 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.597 174.600 -0.006 0.000 1.055 2 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 2 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 3 V N 5.764 125.673 119.914 -0.008 0.000 2.482 3 V HA 0.786 4.906 4.120 0.000 0.000 0.295 3 V C -0.020 176.066 176.094 -0.012 0.000 1.026 3 V CA -0.561 61.732 62.300 -0.012 0.000 0.856 3 V CB 1.594 33.407 31.823 -0.017 0.000 1.001 3 V HN 0.905 nan 8.190 nan 0.000 0.424 4 R N 4.042 124.535 120.500 -0.011 0.000 2.663 4 R HA 0.609 4.949 4.340 0.000 0.000 0.267 4 R C -1.916 174.379 176.300 -0.009 0.000 1.038 4 R CA -0.750 55.344 56.100 -0.009 0.000 0.886 4 R CB 2.051 32.348 30.300 -0.005 0.000 1.249 4 R HN 0.663 nan 8.270 nan 0.000 0.463 5 I N 3.813 124.378 120.570 -0.008 0.000 2.396 5 I HA 0.183 4.353 4.170 0.000 0.000 0.292 5 I C 1.143 177.260 176.117 -0.001 0.000 0.999 5 I CA -0.468 60.828 61.300 -0.006 0.000 1.310 5 I CB 1.844 39.842 38.000 -0.004 0.000 1.404 5 I HN 0.519 nan 8.210 nan 0.000 0.496 6 V N -0.047 119.868 119.914 0.001 0.000 3.159 6 V HA 0.505 4.625 4.120 0.000 0.000 0.333 6 V C -0.419 175.680 176.094 0.008 0.000 1.424 6 V CA -0.102 62.201 62.300 0.004 0.000 1.125 6 V CB -0.133 31.693 31.823 0.005 0.000 1.075 6 V HN 0.802 nan 8.190 nan 0.000 0.482 7 D N -0.791 119.615 120.400 0.009 0.000 2.884 7 D HA 0.445 5.085 4.640 0.000 0.000 0.255 7 D C -1.683 174.628 176.300 0.019 0.000 1.142 7 D CA -0.076 53.934 54.000 0.015 0.000 0.726 7 D CB 2.322 43.133 40.800 0.018 0.000 1.436 7 D HN -0.041 nan 8.370 nan 0.000 0.441 8 V N 2.687 122.617 119.914 0.028 0.000 2.509 8 V HA 0.491 4.611 4.120 0.000 0.000 0.289 8 V C -0.016 176.105 176.094 0.045 0.000 1.026 8 V CA -0.699 61.623 62.300 0.038 0.000 0.872 8 V CB 1.545 33.393 31.823 0.042 0.000 1.017 8 V HN 0.383 nan 8.190 nan 0.000 0.436 9 R N 2.461 122.995 120.500 0.057 0.000 2.536 9 R HA 0.703 5.043 4.340 0.000 0.000 0.279 9 R C -0.494 175.848 176.300 0.070 0.000 1.001 9 R CA -0.625 55.512 56.100 0.061 0.000 1.027 9 R CB 1.801 32.143 30.300 0.069 0.000 1.096 9 R HN 0.611 nan 8.270 nan 0.000 0.502 10 E N 2.479 122.713 120.200 0.056 0.000 2.275 10 E HA 0.355 4.705 4.350 0.000 0.000 0.270 10 E C -1.694 174.930 176.600 0.039 0.000 0.882 10 E CA -0.927 55.504 56.400 0.052 0.000 0.758 10 E CB 1.932 31.657 29.700 0.043 0.000 1.195 10 E HN 0.354 nan 8.360 nan 0.000 0.419 11 I N 2.215 122.806 120.570 0.035 0.000 2.607 11 I HA 0.289 4.459 4.170 0.000 0.000 0.290 11 I C -1.082 175.036 176.117 0.002 0.000 1.129 11 I CA -0.118 61.193 61.300 0.020 0.000 1.042 11 I CB 2.246 40.260 38.000 0.023 0.000 1.242 11 I HN 0.314 nan 8.210 nan 0.000 0.421 12 T N 7.064 121.614 114.554 -0.008 0.000 2.727 12 T HA 0.397 4.747 4.350 0.000 0.000 0.298 12 T C -0.253 174.419 174.700 -0.047 0.000 0.942 12 T CA -0.629 61.455 62.100 -0.026 0.000 0.997 12 T CB 0.199 69.061 68.868 -0.011 0.000 0.917 12 T HN 0.262 nan 8.240 nan 0.000 0.487 13 K N 5.265 125.599 120.400 -0.110 0.000 2.183 13 K HA 0.379 4.699 4.320 0.000 0.000 0.274 13 K C -2.416 174.102 176.600 -0.137 0.000 1.009 13 K CA -2.506 53.693 56.287 -0.146 0.000 0.888 13 K CB 1.422 33.725 32.500 -0.328 0.000 1.078 13 K HN 0.342 nan 8.250 nan 0.000 0.459 14 P HA 0.302 nan 4.420 nan 0.000 0.278 14 P C 0.058 177.348 177.300 -0.016 0.000 1.238 14 P CA -0.390 62.698 63.100 -0.020 0.000 0.794 14 P CB 0.626 32.331 31.700 0.008 0.000 0.955 15 I N -2.186 118.405 120.570 0.035 0.000 3.064 15 I HA 0.232 4.402 4.170 0.000 0.000 0.323 15 I C -0.413 175.801 176.117 0.161 0.000 1.501 15 I CA -0.508 60.856 61.300 0.107 0.000 0.890 15 I CB 0.220 38.331 38.000 0.186 0.000 1.602 15 I HN -0.081 nan 8.210 nan 0.000 0.586 16 S N 1.987 117.751 115.700 0.106 0.000 2.584 16 S HA 0.766 5.236 4.470 0.000 0.000 0.273 16 S C 0.287 174.932 174.600 0.076 0.000 1.311 16 S CA -0.174 58.099 58.200 0.121 0.000 1.034 16 S CB 1.427 64.684 63.200 0.096 0.000 0.939 16 S HN 0.744 nan 8.310 nan 0.000 0.513 17 S N 0.644 116.403 115.700 0.099 0.000 2.611 17 S HA 0.414 4.885 4.470 0.000 0.000 0.270 17 S C -3.248 171.412 174.600 0.101 0.000 1.131 17 S CA -1.196 57.050 58.200 0.076 0.000 0.826 17 S CB 0.958 64.156 63.200 -0.003 0.000 1.095 17 S HN 0.280 nan 8.310 nan 0.000 0.461 18 P HA 0.242 nan 4.420 nan 0.000 0.251 18 P C 0.088 177.390 177.300 0.004 0.000 1.251 18 P CA -0.015 63.034 63.100 -0.085 0.000 0.763 18 P CB -0.297 31.121 31.700 -0.471 0.000 1.067 19 I N 0.734 121.379 120.570 0.124 0.000 2.741 19 I HA -0.055 4.115 4.170 0.000 0.000 0.288 19 I C 0.818 177.060 176.117 0.208 0.000 1.192 19 I CA 0.518 61.843 61.300 0.042 0.000 1.426 19 I CB -0.276 37.379 38.000 -0.575 0.000 1.367 19 I HN -0.116 nan 8.210 nan 0.000 0.563 20 R N 5.691 126.432 120.500 0.403 0.000 2.621 20 R HA 0.511 4.851 4.340 0.000 0.000 0.284 20 R C -1.144 175.563 176.300 0.679 0.000 0.998 20 R CA -0.709 55.697 56.100 0.510 0.000 0.895 20 R CB 1.113 31.614 30.300 0.334 0.000 1.195 20 R HN 0.797 nan 8.270 nan 0.000 0.450 21 N N 2.252 121.320 118.700 0.613 0.000 2.890 21 N HA 0.338 5.078 4.740 0.000 0.000 0.317 21 N C 0.360 176.095 175.510 0.374 0.000 1.355 21 N CA -0.351 53.009 53.050 0.517 0.000 0.803 21 N CB 0.790 39.530 38.487 0.423 0.000 1.465 21 N HN 0.475 nan 8.380 nan 0.000 0.591 22 A N -1.619 121.377 122.820 0.294 0.000 2.131 22 A HA -0.109 4.211 4.320 0.000 0.000 0.220 22 A C 1.176 178.845 177.584 0.141 0.000 1.158 22 A CA 1.193 53.328 52.037 0.163 0.000 0.665 22 A CB -1.047 18.006 19.000 0.089 0.000 0.795 22 A HN 0.708 nan 8.150 nan 0.000 0.460 23 Y N -2.629 117.726 120.300 0.092 0.000 2.664 23 Y HA 0.487 5.037 4.550 0.000 0.000 0.278 23 Y C 0.283 176.231 175.900 0.080 0.000 1.130 23 Y CA -0.163 57.976 58.100 0.064 0.000 1.260 23 Y CB 0.694 39.178 38.460 0.040 0.000 1.369 23 Y HN 0.174 nan 8.280 nan 0.000 0.499 24 I N 0.093 120.866 120.570 0.338 0.000 3.042 24 I HA 0.241 4.411 4.170 0.000 0.000 0.310 24 I C -1.419 174.862 176.117 0.274 0.000 1.117 24 I CA -0.807 60.629 61.300 0.227 0.000 1.003 24 I CB 1.954 40.006 38.000 0.086 0.000 1.228 24 I HN 0.129 nan 8.210 nan 0.000 0.443 25 D N 1.491 122.008 120.400 0.194 0.000 2.575 25 D HA 0.341 4.981 4.640 0.000 0.000 0.236 25 D C -0.682 175.758 176.300 0.232 0.000 1.075 25 D CA -0.345 53.836 54.000 0.302 0.000 0.860 25 D CB 0.899 41.812 40.800 0.189 0.000 1.475 25 D HN 0.201 nan 8.370 nan 0.000 0.474 26 F N 0.902 120.889 119.950 0.062 0.000 2.701 26 F HA 0.203 4.730 4.527 0.000 0.000 0.295 26 F C 2.071 177.898 175.800 0.045 0.000 1.165 26 F CA -0.349 57.673 58.000 0.038 0.000 1.399 26 F CB -0.424 38.592 39.000 0.026 0.000 0.996 26 F HN 0.385 nan 8.300 nan 0.000 0.513 27 T N -0.162 114.497 114.554 0.175 0.000 2.685 27 T HA -0.193 4.157 4.350 0.000 0.000 0.268 27 T C 1.814 176.582 174.700 0.113 0.000 1.034 27 T CA 1.549 63.719 62.100 0.117 0.000 1.149 27 T CB -0.017 68.900 68.868 0.082 0.000 0.860 27 T HN 0.071 nan 8.240 nan 0.000 0.449 28 K N -0.077 120.407 120.400 0.140 0.000 2.478 28 K HA 0.331 4.651 4.320 0.000 0.000 0.205 28 K C 0.065 176.813 176.600 0.246 0.000 1.033 28 K CA -0.334 56.053 56.287 0.166 0.000 1.091 28 K CB 0.196 32.786 32.500 0.149 0.000 0.844 28 K HN 0.276 nan 8.250 nan 0.000 0.507 29 M N 2.381 122.063 119.600 0.137 0.000 2.251 29 M HA -0.030 4.450 4.480 0.000 0.000 0.343 29 M C 0.263 176.587 176.300 0.040 0.000 1.245 29 M CA 0.646 55.926 55.300 -0.032 0.000 1.061 29 M CB 0.184 32.774 32.600 -0.018 0.000 1.723 29 M HN 0.326 nan 8.290 nan 0.000 0.449 30 T N 0.822 115.379 114.554 0.006 0.000 2.804 30 T HA 0.868 5.218 4.350 0.000 0.000 0.290 30 T C -0.465 174.191 174.700 -0.074 0.000 1.099 30 T CA -0.781 61.321 62.100 0.004 0.000 1.011 30 T CB 1.818 70.731 68.868 0.075 0.000 1.291 30 T HN 0.740 nan 8.240 nan 0.000 0.523 31 T N -0.415 114.073 114.554 -0.110 0.000 2.885 31 T HA 0.577 4.927 4.350 0.000 0.000 0.322 31 T C -1.423 173.210 174.700 -0.111 0.000 1.387 31 T CA -0.541 61.482 62.100 -0.129 0.000 1.041 31 T CB 1.704 70.436 68.868 -0.227 0.000 1.287 31 T HN 0.730 nan 8.240 nan 0.000 0.491 32 S N 2.411 118.088 115.700 -0.038 0.000 2.457 32 S HA 0.634 5.104 4.470 0.000 0.000 0.289 32 S C -0.749 173.881 174.600 0.051 0.000 1.163 32 S CA -0.581 57.618 58.200 -0.001 0.000 1.078 32 S CB 0.843 64.056 63.200 0.023 0.000 0.987 32 S HN 0.624 nan 8.310 nan 0.000 0.482 33 L N 5.931 127.184 121.223 0.050 0.000 2.272 33 L HA 0.631 4.971 4.340 0.000 0.000 0.289 33 L C -0.902 176.052 176.870 0.140 0.000 1.032 33 L CA -0.157 54.762 54.840 0.131 0.000 0.810 33 L CB 0.948 43.072 42.059 0.110 0.000 1.205 33 L HN 0.412 nan 8.230 nan 0.000 0.422 34 V N 4.200 124.224 119.914 0.183 0.000 2.715 34 V HA 0.915 5.035 4.120 0.000 0.000 0.310 34 V C -0.151 176.082 176.094 0.232 0.000 1.054 34 V CA -0.443 61.956 62.300 0.166 0.000 0.928 34 V CB 1.668 33.566 31.823 0.125 0.000 1.007 34 V HN 0.931 nan 8.190 nan 0.000 0.437 35 A N 3.264 126.188 122.820 0.174 0.000 2.359 35 A HA 0.786 5.106 4.320 0.000 0.000 0.303 35 A C -1.140 176.453 177.584 0.016 0.000 1.066 35 A CA -0.472 51.636 52.037 0.117 0.000 0.730 35 A CB 1.742 20.869 19.000 0.212 0.000 1.211 35 A HN 0.627 nan 8.150 nan 0.000 0.439 36 V N 3.874 123.752 119.914 -0.060 0.000 2.294 36 V HA 0.251 4.372 4.120 0.000 0.000 0.272 36 V C -0.114 175.935 176.094 -0.076 0.000 1.027 36 V CA -0.392 61.885 62.300 -0.038 0.000 0.823 36 V CB 1.114 32.926 31.823 -0.017 0.000 1.030 36 V HN 0.638 nan 8.190 nan 0.000 0.457 37 V N 5.355 125.244 119.914 -0.041 0.000 2.432 37 V HA 0.426 4.546 4.120 0.000 0.000 0.271 37 V C 0.787 176.869 176.094 -0.020 0.000 1.046 37 V CA -0.094 62.186 62.300 -0.034 0.000 0.945 37 V CB 1.349 33.170 31.823 -0.004 0.000 0.992 37 V HN 0.972 nan 8.190 nan 0.000 0.471 38 T N 0.270 114.810 114.554 -0.022 0.000 2.922 38 T HA 0.430 4.780 4.350 0.000 0.000 0.281 38 T C 0.402 175.099 174.700 -0.004 0.000 1.005 38 T CA -0.224 61.868 62.100 -0.014 0.000 0.982 38 T CB 1.803 70.660 68.868 -0.018 0.000 1.158 38 T HN 0.662 nan 8.240 nan 0.000 0.566 39 D N -0.652 119.746 120.400 -0.002 0.000 2.398 39 D HA 0.132 4.772 4.640 0.000 0.000 0.210 39 D C 0.344 176.646 176.300 0.003 0.000 1.094 39 D CA -0.278 53.723 54.000 0.003 0.000 0.839 39 D CB -0.464 40.337 40.800 0.002 0.000 0.963 39 D HN 0.346 nan 8.370 nan 0.000 0.506 40 V N 1.065 120.979 119.914 0.000 0.000 2.686 40 V HA 0.215 4.335 4.120 0.000 0.000 0.295 40 V C 0.307 176.406 176.094 0.007 0.000 1.055 40 V CA -0.758 61.543 62.300 0.001 0.000 1.050 40 V CB 1.807 33.628 31.823 -0.003 0.000 0.984 40 V HN 0.111 nan 8.190 nan 0.000 0.482 41 V N 6.834 126.753 119.914 0.009 0.000 2.448 41 V HA 0.673 4.793 4.120 0.000 0.000 0.295 41 V C -0.492 175.610 176.094 0.014 0.000 1.025 41 V CA -0.554 61.755 62.300 0.014 0.000 0.859 41 V CB 1.479 33.312 31.823 0.015 0.000 0.988 41 V HN 0.874 nan 8.190 nan 0.000 0.431 42 R N 5.082 125.593 120.500 0.018 0.000 2.502 42 R HA 0.482 4.822 4.340 0.000 0.000 0.300 42 R C -0.544 175.768 176.300 0.021 0.000 0.984 42 R CA -0.425 55.685 56.100 0.016 0.000 0.882 42 R CB 1.605 31.913 30.300 0.014 0.000 1.180 42 R HN 0.861 nan 8.270 nan 0.000 0.444 43 E N 0.957 121.168 120.200 0.018 0.000 2.759 43 E HA -0.188 4.162 4.350 0.000 0.000 0.280 43 E C 0.653 177.268 176.600 0.025 0.000 1.009 43 E CA 1.102 57.514 56.400 0.020 0.000 0.849 43 E CB -1.732 27.982 29.700 0.022 0.000 1.415 43 E HN 1.149 nan 8.360 nan 0.000 0.412 44 G N 0.027 108.841 108.800 0.023 0.000 2.186 44 G HA2 -0.401 3.559 3.960 0.000 0.000 0.266 44 G HA3 -0.401 3.559 3.960 0.000 0.000 0.266 44 G C 0.248 175.167 174.900 0.032 0.000 0.982 44 G CA 1.261 46.376 45.100 0.024 0.000 0.670 44 G HN 0.371 nan 8.290 nan 0.000 0.533 45 K N 0.300 120.722 120.400 0.037 0.000 2.324 45 K HA 0.486 4.806 4.320 0.000 0.000 0.253 45 K C 0.924 177.552 176.600 0.046 0.000 0.932 45 K CA -1.208 55.109 56.287 0.050 0.000 0.799 45 K CB 0.951 33.490 32.500 0.066 0.000 1.154 45 K HN 0.396 nan 8.250 nan 0.000 0.425 46 R N 2.159 122.687 120.500 0.048 0.000 2.537 46 R HA 0.124 4.464 4.340 0.000 0.000 0.280 46 R C -0.264 176.061 176.300 0.042 0.000 1.058 46 R CA -0.578 55.545 56.100 0.037 0.000 1.057 46 R CB 0.761 31.081 30.300 0.034 0.000 0.973 46 R HN 0.257 nan 8.270 nan 0.000 0.438 47 V N 4.696 124.624 119.914 0.024 0.000 2.488 47 V HA 0.287 4.407 4.120 0.000 0.000 0.277 47 V C -0.553 175.529 176.094 -0.020 0.000 1.046 47 V CA -0.255 62.055 62.300 0.016 0.000 0.986 47 V CB 1.179 33.007 31.823 0.008 0.000 0.989 47 V HN 0.629 nan 8.190 nan 0.000 0.475 48 V N 6.493 126.374 119.914 -0.056 0.000 2.531 48 V HA 0.689 4.809 4.120 0.000 0.000 0.301 48 V C 0.662 176.513 176.094 -0.405 0.000 1.034 48 V CA -0.061 62.108 62.300 -0.219 0.000 0.865 48 V CB 1.601 33.273 31.823 -0.253 0.000 0.995 48 V HN 1.062 nan 8.190 nan 0.000 0.424 49 G N 2.963 111.563 108.800 -0.334 0.000 2.377 49 G HA2 0.602 4.562 3.960 0.000 0.000 0.299 49 G HA3 0.602 4.562 3.960 0.000 0.000 0.299 49 G C -1.489 173.213 174.900 -0.331 0.000 1.150 49 G CA -0.099 44.872 45.100 -0.214 0.000 0.847 49 G HN 0.465 nan 8.290 nan 0.000 0.501 50 Y N -0.237 120.240 120.300 0.295 0.000 2.570 50 Y HA 0.774 5.324 4.550 0.000 0.000 0.345 50 Y C 0.678 176.782 175.900 0.340 0.000 1.014 50 Y CA -0.473 57.796 58.100 0.282 0.000 1.063 50 Y CB 2.820 41.442 38.460 0.270 0.000 1.272 50 Y HN 0.905 nan 8.280 nan 0.000 0.477 51 G N 0.759 109.782 108.800 0.372 0.000 2.547 51 G HA2 0.607 4.567 3.960 0.000 0.000 0.291 51 G HA3 0.607 4.567 3.960 0.000 0.000 0.291 51 G C -2.150 172.859 174.900 0.183 0.000 1.471 51 G CA -0.870 44.348 45.100 0.198 0.000 0.798 51 G HN 0.653 nan 8.290 nan 0.000 0.504 52 F N -0.716 119.249 119.950 0.025 0.000 2.678 52 F HA 0.650 5.177 4.527 0.000 0.000 0.308 52 F C -0.678 175.083 175.800 -0.065 0.000 1.118 52 F CA -1.638 56.350 58.000 -0.021 0.000 0.959 52 F CB 1.288 40.287 39.000 -0.002 0.000 1.305 52 F HN 0.611 nan 8.300 nan 0.000 0.443 53 N N 1.245 120.024 118.700 0.132 0.000 2.509 53 N HA 0.324 5.064 4.740 0.000 0.000 0.287 53 N C -0.601 174.997 175.510 0.146 0.000 1.121 53 N CA -0.409 52.658 53.050 0.028 0.000 0.977 53 N CB 1.717 40.195 38.487 -0.015 0.000 1.167 53 N HN 0.703 nan 8.380 nan 0.000 0.476 54 S N 0.847 116.631 115.700 0.141 0.000 2.580 54 S HA -0.025 4.445 4.470 0.000 0.000 0.261 54 S C 0.709 175.329 174.600 0.034 0.000 1.366 54 S CA -0.689 57.636 58.200 0.209 0.000 0.996 54 S CB 0.006 63.412 63.200 0.342 0.000 0.902 54 S HN 0.806 nan 8.310 nan 0.000 0.566 55 N N 0.079 118.677 118.700 -0.170 0.000 2.444 55 N HA 0.274 5.014 4.740 0.000 0.000 0.255 55 N C 0.938 176.364 175.510 -0.141 0.000 1.255 55 N CA 0.367 53.156 53.050 -0.435 0.000 0.933 55 N CB 0.485 38.095 38.487 -1.462 0.000 1.143 55 N HN 0.846 nan 8.380 nan 0.000 0.453 56 G N 0.765 109.410 108.800 -0.258 0.000 2.308 56 G HA2 -0.243 3.717 3.960 0.000 0.000 0.221 56 G HA3 -0.243 3.717 3.960 0.000 0.000 0.221 56 G C 0.827 175.503 174.900 -0.373 0.000 1.032 56 G CA -0.118 44.799 45.100 -0.304 0.000 0.623 56 G HN 0.582 nan 8.290 nan 0.000 0.506 57 R N -0.147 120.193 120.500 -0.265 0.000 2.397 57 R HA 0.489 4.829 4.340 0.000 0.000 0.241 57 R C 0.346 176.632 176.300 -0.025 0.000 0.914 57 R CA -0.163 55.849 56.100 -0.148 0.000 1.071 57 R CB -0.420 29.789 30.300 -0.151 0.000 1.116 57 R HN 0.776 nan 8.270 nan 0.000 0.524 58 Y N -0.883 119.353 120.300 -0.107 0.000 2.506 58 Y HA -0.204 4.346 4.550 0.000 0.000 0.020 58 Y C 1.136 176.987 175.900 -0.082 0.000 1.702 58 Y CA 0.493 58.538 58.100 -0.092 0.000 1.419 58 Y CB -1.216 37.194 38.460 -0.084 0.000 2.065 58 Y HN 0.230 nan 8.280 nan 0.000 0.254 59 G N 0.737 109.606 108.800 0.115 0.000 2.606 59 G HA2 0.437 4.397 3.960 0.000 0.000 0.252 59 G HA3 0.437 4.397 3.960 0.000 0.000 0.252 59 G C -0.213 174.708 174.900 0.035 0.000 1.206 59 G CA -0.547 44.577 45.100 0.039 0.000 0.861 59 G HN 0.425 nan 8.290 nan 0.000 0.561 60 Q N 0.934 120.744 119.800 0.017 0.000 2.217 60 Q HA 0.191 4.531 4.340 0.000 0.000 0.340 60 Q C 1.662 177.680 176.000 0.030 0.000 0.893 60 Q CA 0.019 55.833 55.803 0.018 0.000 1.142 60 Q CB 0.746 29.488 28.738 0.008 0.000 1.288 60 Q HN 0.712 nan 8.270 nan 0.000 0.426 61 G N 0.874 109.687 108.800 0.022 0.000 2.491 61 G HA2 -0.293 3.667 3.960 0.000 0.000 0.218 61 G HA3 -0.293 3.667 3.960 0.000 0.000 0.218 61 G C 1.265 176.178 174.900 0.023 0.000 1.180 61 G CA 1.115 46.229 45.100 0.023 0.000 0.774 61 G HN 0.514 nan 8.290 nan 0.000 0.562 62 G N 0.891 109.698 108.800 0.012 0.000 2.514 62 G HA2 -0.224 3.736 3.960 0.000 0.000 0.217 62 G HA3 -0.224 3.736 3.960 0.000 0.000 0.217 62 G C 1.847 176.753 174.900 0.010 0.000 1.198 62 G CA 0.960 46.062 45.100 0.003 0.000 0.780 62 G HN 0.426 nan 8.290 nan 0.000 0.565 63 L N 0.111 121.357 121.223 0.038 0.000 2.046 63 L HA -0.052 4.289 4.340 0.000 0.000 0.208 63 L C 2.933 179.883 176.870 0.132 0.000 1.077 63 L CA 0.758 55.645 54.840 0.079 0.000 0.747 63 L CB -0.380 41.784 42.059 0.175 0.000 0.896 63 L HN 0.231 nan 8.230 nan 0.000 0.432 64 I N -0.577 120.080 120.570 0.144 0.000 2.163 64 I HA -0.316 3.854 4.170 0.000 0.000 0.243 64 I C 2.787 178.955 176.117 0.086 0.000 1.085 64 I CA 1.435 62.828 61.300 0.155 0.000 1.347 64 I CB -0.324 37.736 38.000 0.100 0.000 1.044 64 I HN 0.224 nan 8.210 nan 0.000 0.408 65 R N 0.691 121.215 120.500 0.041 0.000 2.057 65 R HA -0.113 4.227 4.340 0.000 0.000 0.229 65 R C 2.199 178.486 176.300 -0.021 0.000 1.136 65 R CA 1.396 57.504 56.100 0.013 0.000 0.952 65 R CB -0.330 29.976 30.300 0.008 0.000 0.848 65 R HN 0.423 nan 8.270 nan 0.000 0.430 66 E N -0.183 119.991 120.200 -0.044 0.000 2.208 66 E HA -0.112 4.238 4.350 0.000 0.000 0.193 66 E C 1.980 178.491 176.600 -0.150 0.000 0.988 66 E CA 0.831 57.183 56.400 -0.080 0.000 0.828 66 E CB 0.163 29.818 29.700 -0.075 0.000 0.763 66 E HN 0.205 nan 8.360 nan 0.000 0.478 67 R N -1.204 119.150 120.500 -0.244 0.000 2.302 67 R HA 0.131 4.471 4.340 0.000 0.000 0.187 67 R C 1.656 177.636 176.300 -0.534 0.000 0.904 67 R CA 0.117 55.932 56.100 -0.475 0.000 1.105 67 R CB 0.274 30.099 30.300 -0.792 0.000 1.239 67 R HN 0.059 nan 8.270 nan 0.000 0.620 68 F N 0.438 120.371 119.950 -0.028 0.000 2.188 68 F HA 0.236 4.763 4.527 0.000 0.000 0.289 68 F C 2.348 178.132 175.800 -0.026 0.000 1.082 68 F CA 0.868 58.847 58.000 -0.036 0.000 1.282 68 F CB -0.790 38.186 39.000 -0.040 0.000 1.060 68 F HN 0.019 nan 8.300 nan 0.000 0.493 69 A N 0.191 123.101 122.820 0.151 0.000 2.076 69 A HA -0.182 4.138 4.320 0.000 0.000 0.220 69 A C 2.258 179.867 177.584 0.042 0.000 1.160 69 A CA 2.092 54.181 52.037 0.086 0.000 0.653 69 A CB -1.119 17.922 19.000 0.068 0.000 0.801 69 A HN 0.439 nan 8.150 nan 0.000 0.455 70 S N -0.480 115.228 115.700 0.013 0.000 2.406 70 S HA -0.062 4.408 4.470 0.000 0.000 0.224 70 S C 1.919 176.514 174.600 -0.009 0.000 1.030 70 S CA 0.764 58.959 58.200 -0.009 0.000 0.958 70 S CB -0.344 62.834 63.200 -0.037 0.000 0.811 70 S HN 0.572 nan 8.310 nan 0.000 0.489 71 R N 0.828 121.322 120.500 -0.011 0.000 2.120 71 R HA 0.164 4.504 4.340 0.000 0.000 0.234 71 R C 2.126 178.433 176.300 0.012 0.000 1.123 71 R CA 1.481 57.578 56.100 -0.005 0.000 0.975 71 R CB -0.556 29.744 30.300 -0.000 0.000 0.866 71 R HN 0.458 nan 8.270 nan 0.000 0.446 72 I N 0.399 120.984 120.570 0.026 0.000 2.133 72 I HA -0.273 3.897 4.170 0.000 0.000 0.238 72 I C 1.851 177.977 176.117 0.014 0.000 1.074 72 I CA 1.286 62.601 61.300 0.025 0.000 1.342 72 I CB -0.145 37.877 38.000 0.037 0.000 1.053 72 I HN 0.137 nan 8.210 nan 0.000 0.404 73 L N 0.241 121.472 121.223 0.013 0.000 2.456 73 L HA -0.151 4.189 4.340 0.000 0.000 0.224 73 L C 1.694 178.565 176.870 0.003 0.000 1.148 73 L CA 1.024 55.868 54.840 0.008 0.000 0.825 73 L CB -0.438 41.626 42.059 0.008 0.000 0.937 73 L HN 0.330 nan 8.230 nan 0.000 0.450 74 E N -0.187 120.013 120.200 0.001 0.000 2.481 74 E HA 0.205 4.555 4.350 0.000 0.000 0.198 74 E C 0.681 177.281 176.600 -0.001 0.000 1.027 74 E CA -0.201 56.197 56.400 -0.003 0.000 0.900 74 E CB 0.545 30.240 29.700 -0.008 0.000 0.993 74 E HN 0.359 nan 8.360 nan 0.000 0.482 75 A N 1.799 124.620 122.820 0.002 0.000 2.340 75 A HA 0.097 4.417 4.320 0.000 0.000 0.268 75 A C -0.103 177.482 177.584 0.002 0.000 1.100 75 A CA -0.528 51.511 52.037 0.004 0.000 0.803 75 A CB 0.488 19.492 19.000 0.008 0.000 1.043 75 A HN -0.016 nan 8.150 nan 0.000 0.488 76 D N 2.998 123.399 120.400 0.002 0.000 2.359 76 D HA 0.067 4.707 4.640 0.000 0.000 0.273 76 D C -1.008 175.292 176.300 0.000 0.000 1.362 76 D CA -1.616 52.385 54.000 0.001 0.000 1.010 76 D CB 0.633 41.434 40.800 0.002 0.000 1.090 76 D HN 0.231 nan 8.370 nan 0.000 0.521 77 P HA -0.201 nan 4.420 nan 0.000 0.219 77 P C 0.593 177.889 177.300 -0.006 0.000 1.144 77 P CA 1.012 64.110 63.100 -0.004 0.000 0.806 77 P CB 0.221 31.919 31.700 -0.004 0.000 0.771 78 K N -0.151 120.247 120.400 -0.004 0.000 2.522 78 K HA 0.054 4.374 4.320 0.000 0.000 0.194 78 K C 1.232 177.830 176.600 -0.004 0.000 1.026 78 K CA 0.354 56.639 56.287 -0.005 0.000 1.119 78 K CB 0.051 32.549 32.500 -0.003 0.000 0.856 78 K HN 0.205 nan 8.250 nan 0.000 0.513 79 K N 0.261 120.660 120.400 -0.002 0.000 2.501 79 K HA 0.214 4.534 4.320 0.000 0.000 0.204 79 K C 0.421 177.021 176.600 -0.000 0.000 1.067 79 K CA -0.012 56.275 56.287 0.000 0.000 1.060 79 K CB 0.844 33.347 32.500 0.004 0.000 0.873 79 K HN 0.003 nan 8.250 nan 0.000 0.540 80 L N 1.463 122.682 121.223 -0.007 0.000 3.066 80 L HA 0.352 4.693 4.340 0.000 0.000 0.265 80 L C -0.305 176.548 176.870 -0.028 0.000 1.232 80 L CA -0.080 54.753 54.840 -0.012 0.000 1.031 80 L CB 0.254 42.306 42.059 -0.012 0.000 1.379 80 L HN -0.012 nan 8.230 nan 0.000 0.563 81 L N -0.298 120.911 121.223 -0.024 0.000 2.313 81 L HA 0.454 4.794 4.340 0.000 0.000 0.268 81 L C 0.064 176.915 176.870 -0.031 0.000 1.010 81 L CA -1.008 53.813 54.840 -0.031 0.000 0.814 81 L CB 1.251 43.296 42.059 -0.023 0.000 1.304 81 L HN 0.139 nan 8.230 nan 0.000 0.441 82 N N -0.396 118.282 118.700 -0.036 0.000 2.285 82 N HA 0.024 4.764 4.740 0.000 0.000 0.262 82 N C 0.544 176.041 175.510 -0.021 0.000 1.299 82 N CA -0.440 52.591 53.050 -0.032 0.000 0.930 82 N CB 0.293 38.758 38.487 -0.035 0.000 1.157 82 N HN 0.459 nan 8.380 nan 0.000 0.532 83 E N -0.588 119.602 120.200 -0.017 0.000 2.038 83 E HA -0.205 4.145 4.350 0.000 0.000 0.195 83 E C 1.804 178.398 176.600 -0.011 0.000 1.000 83 E CA 1.908 58.300 56.400 -0.012 0.000 0.803 83 E CB -0.820 28.874 29.700 -0.010 0.000 0.750 83 E HN 0.726 nan 8.360 nan 0.000 0.448 84 A N -0.008 122.806 122.820 -0.011 0.000 2.067 84 A HA 0.032 4.352 4.320 0.000 0.000 0.219 84 A C 1.876 179.453 177.584 -0.011 0.000 1.158 84 A CA 1.620 53.652 52.037 -0.010 0.000 0.661 84 A CB -0.557 18.437 19.000 -0.009 0.000 0.801 84 A HN 0.368 nan 8.150 nan 0.000 0.452 85 G N -0.026 108.766 108.800 -0.014 0.000 2.153 85 G HA2 -0.349 3.611 3.960 0.000 0.000 0.252 85 G HA3 -0.349 3.611 3.960 0.000 0.000 0.252 85 G C 0.232 175.123 174.900 -0.014 0.000 0.994 85 G CA 1.136 46.228 45.100 -0.014 0.000 0.698 85 G HN 0.903 nan 8.290 nan 0.000 0.521 86 D N -0.996 119.395 120.400 -0.015 0.000 2.369 86 D HA 0.297 4.937 4.640 0.000 0.000 0.211 86 D C 0.678 176.967 176.300 -0.019 0.000 1.077 86 D CA 0.061 54.052 54.000 -0.014 0.000 0.842 86 D CB 0.417 41.211 40.800 -0.011 0.000 0.947 86 D HN 0.283 nan 8.370 nan 0.000 0.509 87 N N -0.277 118.406 118.700 -0.027 0.000 2.823 87 N HA 0.277 5.017 4.740 0.000 0.000 0.251 87 N C -1.549 173.929 175.510 -0.054 0.000 1.392 87 N CA -0.630 52.397 53.050 -0.038 0.000 0.864 87 N CB 1.477 39.940 38.487 -0.040 0.000 1.481 87 N HN -0.066 nan 8.380 nan 0.000 0.508 88 L N 0.814 121.994 121.223 -0.071 0.000 2.439 88 L HA 0.217 4.557 4.340 0.000 0.000 0.269 88 L C 0.366 177.155 176.870 -0.136 0.000 1.179 88 L CA -0.148 54.637 54.840 -0.092 0.000 0.828 88 L CB 0.377 42.375 42.059 -0.102 0.000 1.106 88 L HN 0.469 nan 8.230 nan 0.000 0.467 89 D N 3.688 124.013 120.400 -0.125 0.000 2.412 89 D HA 0.212 4.852 4.640 0.000 0.000 0.224 89 D C -1.817 174.358 176.300 -0.208 0.000 1.093 89 D CA -2.079 51.830 54.000 -0.151 0.000 0.850 89 D CB 1.872 42.624 40.800 -0.081 0.000 1.046 89 D HN 0.143 nan 8.370 nan 0.000 0.507 90 P HA -0.152 nan 4.420 nan 0.000 0.215 90 P C 0.819 178.035 177.300 -0.141 0.000 1.163 90 P CA 1.077 63.855 63.100 -0.536 0.000 0.894 90 P CB 0.375 31.215 31.700 -1.432 0.000 0.791 91 D N -0.677 119.680 120.400 -0.071 0.000 2.178 91 D HA -0.142 4.498 4.640 0.000 0.000 0.201 91 D C 1.759 178.136 176.300 0.129 0.000 0.980 91 D CA 1.114 55.154 54.000 0.067 0.000 0.842 91 D CB -0.226 40.587 40.800 0.020 0.000 0.948 91 D HN 0.310 nan 8.370 nan 0.000 0.472 92 K N 0.469 120.900 120.400 0.051 0.000 2.103 92 K HA -0.043 4.277 4.320 0.000 0.000 0.204 92 K C 2.246 178.895 176.600 0.082 0.000 1.052 92 K CA 0.421 56.744 56.287 0.061 0.000 0.945 92 K CB 0.110 32.619 32.500 0.015 0.000 0.722 92 K HN -0.018 nan 8.250 nan 0.000 0.443 93 V N 0.134 120.085 119.914 0.061 0.000 2.358 93 V HA -0.222 3.898 4.120 0.000 0.000 0.246 93 V C 1.896 178.067 176.094 0.128 0.000 1.047 93 V CA 1.522 63.860 62.300 0.062 0.000 1.035 93 V CB -0.493 31.340 31.823 0.017 0.000 0.658 93 V HN 0.450 nan 8.190 nan 0.000 0.452 94 W N 1.024 122.331 121.300 0.011 0.000 2.333 94 W HA -0.227 4.433 4.660 0.000 0.000 0.316 94 W C 2.543 179.095 176.519 0.055 0.000 1.215 94 W CA 2.447 59.822 57.345 0.050 0.000 1.278 94 W CB -0.407 29.095 29.460 0.071 0.000 1.154 94 W HN 0.187 nan 8.180 nan 0.000 0.486 95 A N 0.472 123.523 122.820 0.385 0.000 1.940 95 A HA -0.146 4.174 4.320 0.000 0.000 0.219 95 A C 2.040 179.661 177.584 0.062 0.000 1.176 95 A CA 2.675 54.854 52.037 0.237 0.000 0.631 95 A CB -1.564 17.568 19.000 0.220 0.000 0.814 95 A HN 0.430 nan 8.150 nan 0.000 0.446 96 A N 0.527 123.382 122.820 0.059 0.000 1.908 96 A HA -0.163 4.157 4.320 0.000 0.000 0.218 96 A C 2.267 179.858 177.584 0.011 0.000 1.181 96 A CA 2.073 54.127 52.037 0.030 0.000 0.627 96 A CB -0.677 18.343 19.000 0.033 0.000 0.818 96 A HN 0.859 nan 8.150 nan 0.000 0.445 97 M N -3.183 116.409 119.600 -0.013 0.000 2.595 97 M HA 0.239 4.719 4.480 0.000 0.000 0.248 97 M C 1.051 177.397 176.300 0.078 0.000 1.119 97 M CA 0.971 56.307 55.300 0.060 0.000 1.079 97 M CB 0.036 32.692 32.600 0.094 0.000 1.472 97 M HN 0.115 nan 8.290 nan 0.000 0.501 98 M N 2.120 121.637 119.600 -0.138 0.000 2.383 98 M HA 0.383 4.863 4.480 0.000 0.000 0.247 98 M C 0.563 176.844 176.300 -0.033 0.000 1.117 98 M CA -0.387 54.816 55.300 -0.160 0.000 0.995 98 M CB -0.550 31.707 32.600 -0.572 0.000 1.480 98 M HN 0.414 nan 8.290 nan 0.000 0.485 99 I N -0.351 120.216 120.570 -0.004 0.000 2.692 99 I HA 0.115 4.285 4.170 0.000 0.000 0.284 99 I C 0.173 176.294 176.117 0.006 0.000 1.159 99 I CA 0.005 61.310 61.300 0.008 0.000 1.423 99 I CB 0.204 38.209 38.000 0.007 0.000 1.380 99 I HN 0.290 nan 8.210 nan 0.000 0.580 100 N N 2.207 120.913 118.700 0.010 0.000 2.776 100 N HA -0.166 4.574 4.740 0.000 0.000 0.250 100 N C -0.817 174.700 175.510 0.012 0.000 1.112 100 N CA 0.916 53.968 53.050 0.004 0.000 0.733 100 N CB -0.997 37.481 38.487 -0.016 0.000 1.097 100 N HN 0.721 nan 8.380 nan 0.000 0.558 101 E N 0.932 121.154 120.200 0.037 0.000 2.129 101 E HA 0.267 4.617 4.350 0.000 0.000 0.268 101 E C 0.320 176.957 176.600 0.062 0.000 0.900 101 E CA -0.360 56.082 56.400 0.069 0.000 0.755 101 E CB 1.344 31.118 29.700 0.124 0.000 1.117 101 E HN 0.138 nan 8.360 nan 0.000 0.410 102 K N 3.238 123.668 120.400 0.051 0.000 2.258 102 K HA 0.224 4.544 4.320 0.000 0.000 0.264 102 K C -1.816 174.810 176.600 0.043 0.000 1.007 102 K CA -1.248 55.062 56.287 0.038 0.000 0.941 102 K CB 0.170 32.682 32.500 0.021 0.000 0.966 102 K HN 0.308 nan 8.250 nan 0.000 0.480 103 P HA 0.023 nan 4.420 nan 0.000 0.271 103 P C 0.283 177.534 177.300 -0.082 0.000 1.233 103 P CA 0.034 63.153 63.100 0.031 0.000 0.789 103 P CB 0.385 32.112 31.700 0.046 0.000 0.951 104 G N -0.222 108.424 108.800 -0.257 0.000 2.796 104 G HA2 0.179 4.139 3.960 0.000 0.000 0.226 104 G HA3 0.179 4.139 3.960 0.000 0.000 0.226 104 G C 0.454 175.026 174.900 -0.546 0.000 1.381 104 G CA 0.300 45.123 45.100 -0.462 0.000 0.867 104 G HN 1.277 nan 8.290 nan 0.000 0.552 105 G N -1.496 107.111 108.800 -0.323 0.000 2.295 105 G HA2 -0.125 3.835 3.960 0.000 0.000 0.287 105 G HA3 -0.125 3.835 3.960 0.000 0.000 0.287 105 G C 0.280 175.162 174.900 -0.029 0.000 1.055 105 G CA 1.037 46.064 45.100 -0.122 0.000 0.922 105 G HN 1.690 nan 8.290 nan 0.000 0.503 106 H N 0.344 119.539 119.070 0.207 0.000 3.224 106 H HA 0.511 5.067 4.556 0.000 0.000 0.265 106 H C 0.947 176.432 175.328 0.262 0.000 1.461 106 H CA 0.728 56.964 56.048 0.313 0.000 1.509 106 H CB 0.310 30.300 29.762 0.380 0.000 1.686 106 H HN 0.840 nan 8.280 nan 0.000 0.514 107 G N 0.578 109.504 108.800 0.211 0.000 2.667 107 G HA2 0.309 4.269 3.960 0.000 0.000 0.294 107 G HA3 0.309 4.269 3.960 0.000 0.000 0.294 107 G C -0.188 174.670 174.900 -0.070 0.000 1.467 107 G CA -0.527 44.600 45.100 0.045 0.000 0.852 107 G HN 0.235 nan 8.290 nan 0.000 0.521 108 E N -0.866 119.219 120.200 -0.192 0.000 4.312 108 E HA -0.370 3.980 4.350 0.000 0.000 0.192 108 E C 2.212 178.732 176.600 -0.133 0.000 1.286 108 E CA 3.082 59.402 56.400 -0.135 0.000 2.287 108 E CB -0.843 28.834 29.700 -0.038 0.000 1.864 108 E HN 0.837 nan 8.360 nan 0.000 0.348 109 R N 0.897 121.367 120.500 -0.049 0.000 2.152 109 R HA -0.027 4.313 4.340 0.000 0.000 0.232 109 R C 2.025 178.097 176.300 -0.380 0.000 1.117 109 R CA 2.050 58.146 56.100 -0.007 0.000 0.981 109 R CB -0.496 29.966 30.300 0.270 0.000 0.870 109 R HN 0.371 nan 8.270 nan 0.000 0.451 110 S N 0.449 115.799 115.700 -0.583 0.000 2.423 110 S HA -0.032 4.438 4.470 0.000 0.000 0.231 110 S C 1.943 176.155 174.600 -0.648 0.000 1.014 110 S CA 0.877 58.369 58.200 -1.180 0.000 0.965 110 S CB -0.100 62.477 63.200 -1.039 0.000 0.785 110 S HN 0.173 nan 8.310 nan 0.000 0.495 111 V N 1.978 121.620 119.914 -0.454 0.000 2.446 111 V HA 0.074 4.194 4.120 0.000 0.000 0.244 111 V C 3.081 179.050 176.094 -0.208 0.000 1.039 111 V CA 1.264 63.381 62.300 -0.304 0.000 1.045 111 V CB -1.329 30.332 31.823 -0.270 0.000 0.681 111 V HN 0.623 nan 8.190 nan 0.000 0.459 112 A N 0.261 122.961 122.820 -0.199 0.000 1.858 112 A HA -0.160 4.160 4.320 0.000 0.000 0.216 112 A C 2.383 179.841 177.584 -0.209 0.000 1.190 112 A CA 2.191 54.154 52.037 -0.123 0.000 0.617 112 A CB -0.810 18.201 19.000 0.017 0.000 0.827 112 A HN 0.300 nan 8.150 nan 0.000 0.443 113 V N 0.092 119.738 119.914 -0.447 0.000 2.343 113 V HA -0.187 3.933 4.120 0.000 0.000 0.247 113 V C 2.816 178.855 176.094 -0.092 0.000 1.051 113 V CA 1.967 64.029 62.300 -0.396 0.000 1.036 113 V CB -1.544 29.976 31.823 -0.504 0.000 0.654 113 V HN 0.636 nan 8.190 nan 0.000 0.451 114 G N -1.041 107.705 108.800 -0.091 0.000 2.440 114 G HA2 -0.321 3.639 3.960 0.000 0.000 0.218 114 G HA3 -0.321 3.639 3.960 0.000 0.000 0.218 114 G C 1.794 176.701 174.900 0.012 0.000 1.154 114 G CA 1.606 46.719 45.100 0.021 0.000 0.767 114 G HN 0.455 nan 8.290 nan 0.000 0.552 115 T N 0.134 114.666 114.554 -0.036 0.000 2.904 115 T HA 0.050 4.400 4.350 0.000 0.000 0.267 115 T C 2.435 177.157 174.700 0.038 0.000 1.059 115 T CA 0.844 62.931 62.100 -0.023 0.000 1.137 115 T CB -0.206 68.650 68.868 -0.021 0.000 0.879 115 T HN 0.264 nan 8.240 nan 0.000 0.467 116 I N 1.310 121.905 120.570 0.041 0.000 2.252 116 I HA -0.104 4.067 4.170 0.000 0.000 0.245 116 I C 2.572 178.762 176.117 0.121 0.000 1.102 116 I CA 1.595 62.938 61.300 0.072 0.000 1.385 116 I CB -0.402 37.629 38.000 0.051 0.000 1.064 116 I HN 0.390 nan 8.210 nan 0.000 0.414 117 D N 1.194 121.693 120.400 0.166 0.000 2.149 117 D HA -0.274 4.366 4.640 0.000 0.000 0.198 117 D C 2.249 178.761 176.300 0.353 0.000 0.990 117 D CA 1.492 55.676 54.000 0.306 0.000 0.839 117 D CB -0.007 41.042 40.800 0.415 0.000 0.948 117 D HN 0.300 nan 8.370 nan 0.000 0.460 118 M N 0.490 120.218 119.600 0.215 0.000 2.080 118 M HA -0.202 4.278 4.480 0.000 0.000 0.260 118 M C 2.288 178.726 176.300 0.230 0.000 1.068 118 M CA 2.098 57.504 55.300 0.177 0.000 1.109 118 M CB -0.110 32.513 32.600 0.037 0.000 1.342 118 M HN 0.092 nan 8.290 nan 0.000 0.405 119 A N -0.538 122.397 122.820 0.191 0.000 1.902 119 A HA -0.114 4.206 4.320 0.000 0.000 0.217 119 A C 2.034 179.696 177.584 0.130 0.000 1.181 119 A CA 1.803 53.942 52.037 0.169 0.000 0.623 119 A CB -1.121 17.953 19.000 0.122 0.000 0.818 119 A HN 0.435 nan 8.150 nan 0.000 0.443 120 V N -2.097 117.891 119.914 0.123 0.000 2.287 120 V HA -0.306 3.814 4.120 0.000 0.000 0.248 120 V C 2.276 178.380 176.094 0.016 0.000 1.053 120 V CA 2.012 64.332 62.300 0.034 0.000 1.027 120 V CB -1.052 30.763 31.823 -0.014 0.000 0.646 120 V HN 0.801 nan 8.190 nan 0.000 0.447 121 W N 0.238 121.570 121.300 0.052 0.000 2.388 121 W HA -0.130 4.530 4.660 0.000 0.000 0.294 121 W C 2.342 178.876 176.519 0.024 0.000 1.212 121 W CA 1.523 58.892 57.345 0.039 0.000 1.271 121 W CB -0.461 29.023 29.460 0.040 0.000 1.126 121 W HN 0.316 nan 8.180 nan 0.000 0.535 122 D N -0.119 120.430 120.400 0.249 0.000 2.117 122 D HA -0.192 4.448 4.640 0.000 0.000 0.197 122 D C 2.187 178.543 176.300 0.094 0.000 0.987 122 D CA 2.094 56.187 54.000 0.154 0.000 0.829 122 D CB -0.431 40.477 40.800 0.180 0.000 0.961 122 D HN -0.003 nan 8.370 nan 0.000 0.460 123 A N -0.098 122.757 122.820 0.059 0.000 1.858 123 A HA -0.109 4.211 4.320 0.000 0.000 0.216 123 A C 2.584 180.170 177.584 0.004 0.000 1.190 123 A CA 1.738 53.781 52.037 0.010 0.000 0.617 123 A CB -0.966 18.022 19.000 -0.019 0.000 0.827 123 A HN 0.192 nan 8.150 nan 0.000 0.443 124 V N 0.051 119.959 119.914 -0.011 0.000 2.282 124 V HA -0.317 3.803 4.120 0.000 0.000 0.249 124 V C 3.063 179.166 176.094 0.014 0.000 1.057 124 V CA 2.204 64.483 62.300 -0.036 0.000 1.032 124 V CB -1.343 30.403 31.823 -0.128 0.000 0.645 124 V HN 0.634 nan 8.190 nan 0.000 0.447 125 A N -0.495 122.364 122.820 0.065 0.000 1.902 125 A HA -0.237 4.083 4.320 0.000 0.000 0.217 125 A C 2.296 179.891 177.584 0.019 0.000 1.181 125 A CA 2.002 54.072 52.037 0.056 0.000 0.623 125 A CB -0.432 18.613 19.000 0.074 0.000 0.818 125 A HN 0.566 nan 8.150 nan 0.000 0.443 126 K N -0.446 119.968 120.400 0.023 0.000 2.057 126 K HA -0.016 4.304 4.320 0.000 0.000 0.207 126 K C 1.746 178.349 176.600 0.005 0.000 1.049 126 K CA 1.476 57.772 56.287 0.014 0.000 0.931 126 K CB -0.346 32.168 32.500 0.024 0.000 0.714 126 K HN 0.518 nan 8.250 nan 0.000 0.440 127 I N 0.857 121.427 120.570 0.001 0.000 2.361 127 I HA -0.234 3.936 4.170 0.000 0.000 0.251 127 I C 2.120 178.233 176.117 -0.006 0.000 1.133 127 I CA 0.910 62.207 61.300 -0.005 0.000 1.413 127 I CB -0.196 37.796 38.000 -0.014 0.000 1.073 127 I HN 0.140 nan 8.210 nan 0.000 0.424 128 A N 0.214 123.031 122.820 -0.005 0.000 2.251 128 A HA 0.311 4.631 4.320 0.000 0.000 0.209 128 A C 1.816 179.394 177.584 -0.011 0.000 1.187 128 A CA 0.661 52.694 52.037 -0.006 0.000 0.823 128 A CB -0.499 18.500 19.000 -0.000 0.000 0.846 128 A HN 0.519 nan 8.150 nan 0.000 0.486 129 G N -0.273 108.520 108.800 -0.011 0.000 2.198 129 G HA2 -0.270 3.690 3.960 0.000 0.000 0.260 129 G HA3 -0.270 3.690 3.960 0.000 0.000 0.260 129 G C 0.054 174.934 174.900 -0.033 0.000 1.025 129 G CA 0.909 45.999 45.100 -0.017 0.000 0.769 129 G HN 0.628 nan 8.290 nan 0.000 0.507 130 K N -0.511 119.862 120.400 -0.045 0.000 2.400 130 K HA 0.551 4.871 4.320 0.000 0.000 0.246 130 K C -3.024 173.500 176.600 -0.127 0.000 0.995 130 K CA -2.374 53.859 56.287 -0.090 0.000 0.840 130 K CB 2.410 34.857 32.500 -0.089 0.000 1.293 130 K HN -0.099 nan 8.250 nan 0.000 0.445 131 P HA 0.030 nan 4.420 nan 0.000 0.276 131 P C 0.440 177.557 177.300 -0.306 0.000 1.230 131 P CA -0.401 62.512 63.100 -0.312 0.000 0.776 131 P CB 0.585 31.908 31.700 -0.629 0.000 0.888 132 L N 5.103 126.262 121.223 -0.107 0.000 2.051 132 L HA -0.223 4.117 4.340 0.000 0.000 0.214 132 L C 1.831 178.696 176.870 -0.010 0.000 1.076 132 L CA 2.146 56.984 54.840 -0.005 0.000 0.758 132 L CB -1.585 40.507 42.059 0.055 0.000 0.890 132 L HN 0.444 nan 8.230 nan 0.000 0.433 133 F N -1.246 118.696 119.950 -0.013 0.000 2.216 133 F HA -0.083 4.444 4.527 0.000 0.000 0.300 133 F C 2.209 178.011 175.800 0.003 0.000 1.085 133 F CA 0.918 58.905 58.000 -0.022 0.000 1.326 133 F CB -0.885 38.100 39.000 -0.025 0.000 1.027 133 F HN -0.060 nan 8.300 nan 0.000 0.497 134 R N 0.896 121.061 120.500 -0.558 0.000 2.073 134 R HA -0.018 4.322 4.340 0.000 0.000 0.229 134 R C 2.253 178.498 176.300 -0.092 0.000 1.120 134 R CA 1.193 57.106 56.100 -0.311 0.000 0.967 134 R CB -1.317 28.713 30.300 -0.450 0.000 0.862 134 R HN 0.409 nan 8.270 nan 0.000 0.436 135 L N 1.202 122.376 121.223 -0.080 0.000 2.083 135 L HA -0.091 4.249 4.340 0.000 0.000 0.209 135 L C 2.128 179.062 176.870 0.107 0.000 1.083 135 L CA 1.456 56.314 54.840 0.029 0.000 0.752 135 L CB -0.510 41.587 42.059 0.065 0.000 0.899 135 L HN 0.098 nan 8.230 nan 0.000 0.433 136 L N -1.038 120.245 121.223 0.100 0.000 2.005 136 L HA -0.182 4.158 4.340 0.000 0.000 0.207 136 L C 2.633 179.595 176.870 0.154 0.000 1.072 136 L CA 1.301 56.215 54.840 0.123 0.000 0.744 136 L CB -0.699 41.362 42.059 0.003 0.000 0.895 136 L HN 0.385 nan 8.230 nan 0.000 0.433 137 A N -0.365 122.517 122.820 0.102 0.000 1.908 137 A HA -0.271 4.050 4.320 0.000 0.000 0.218 137 A C 2.087 179.751 177.584 0.134 0.000 1.181 137 A CA 1.906 54.008 52.037 0.109 0.000 0.627 137 A CB -0.552 18.512 19.000 0.106 0.000 0.818 137 A HN 0.472 nan 8.150 nan 0.000 0.445 138 E N -0.614 119.649 120.200 0.105 0.000 2.023 138 E HA -0.231 4.119 4.350 0.000 0.000 0.196 138 E C 2.296 178.960 176.600 0.106 0.000 1.003 138 E CA 1.442 57.893 56.400 0.086 0.000 0.809 138 E CB -0.207 29.527 29.700 0.058 0.000 0.755 138 E HN 0.555 nan 8.360 nan 0.000 0.449 139 R N -0.314 120.271 120.500 0.142 0.000 2.159 139 R HA -0.148 4.192 4.340 0.000 0.000 0.237 139 R C 1.662 177.989 176.300 0.046 0.000 1.131 139 R CA 1.238 57.407 56.100 0.115 0.000 0.982 139 R CB -0.213 30.196 30.300 0.182 0.000 0.868 139 R HN 0.279 nan 8.270 nan 0.000 0.453 140 H N -1.390 117.711 119.070 0.051 0.000 2.551 140 H HA 0.221 4.777 4.556 0.000 0.000 0.271 140 H C 0.776 176.125 175.328 0.035 0.000 0.984 140 H CA 0.542 56.615 56.048 0.041 0.000 1.164 140 H CB 0.880 30.668 29.762 0.042 0.000 1.437 140 H HN 0.357 nan 8.280 nan 0.000 0.550 141 G N 1.023 109.898 108.800 0.124 0.000 2.298 141 G HA2 -0.186 3.774 3.960 0.000 0.000 0.287 141 G HA3 -0.186 3.774 3.960 0.000 0.000 0.287 141 G C 0.084 175.036 174.900 0.086 0.000 1.075 141 G CA 0.524 45.672 45.100 0.081 0.000 0.960 141 G HN 0.553 nan 8.290 nan 0.000 0.502 142 V N -4.219 115.755 119.914 0.100 0.000 3.167 142 V HA 0.882 5.002 4.120 0.000 0.000 0.310 142 V C 0.004 176.143 176.094 0.076 0.000 1.207 142 V CA -1.314 61.036 62.300 0.082 0.000 1.059 142 V CB 2.082 33.957 31.823 0.087 0.000 1.079 142 V HN 0.480 nan 8.190 nan 0.000 0.446 143 K N 1.452 121.892 120.400 0.067 0.000 2.211 143 K HA 0.776 5.096 4.320 0.000 0.000 0.275 143 K C 0.006 176.657 176.600 0.085 0.000 1.024 143 K CA -0.100 56.230 56.287 0.071 0.000 0.887 143 K CB 1.425 33.960 32.500 0.057 0.000 1.084 143 K HN 1.269 nan 8.250 nan 0.000 0.463 144 A N 3.612 126.505 122.820 0.121 0.000 2.407 144 A HA 0.156 4.476 4.320 0.000 0.000 0.248 144 A C -0.311 177.347 177.584 0.123 0.000 1.082 144 A CA -0.447 51.689 52.037 0.165 0.000 0.785 144 A CB 0.285 19.490 19.000 0.341 0.000 1.020 144 A HN 0.832 nan 8.150 nan 0.000 0.489 145 N N 2.074 120.810 118.700 0.059 0.000 2.524 145 N HA 0.328 5.068 4.740 0.000 0.000 0.261 145 N C -2.215 173.237 175.510 -0.097 0.000 0.998 145 N CA -2.111 50.944 53.050 0.009 0.000 0.915 145 N CB 1.909 40.406 38.487 0.017 0.000 1.187 145 N HN 0.293 nan 8.380 nan 0.000 0.507 146 P HA -0.003 nan 4.420 nan 0.000 0.242 146 P C -0.071 177.112 177.300 -0.195 0.000 1.197 146 P CA 0.268 63.175 63.100 -0.322 0.000 0.765 146 P CB 0.338 31.910 31.700 -0.213 0.000 0.936 147 R N 1.026 121.473 120.500 -0.088 0.000 2.287 147 R HA 0.364 4.704 4.340 0.000 0.000 0.327 147 R C -0.910 175.427 176.300 0.063 0.000 1.109 147 R CA -0.306 55.782 56.100 -0.020 0.000 1.013 147 R CB 0.174 30.470 30.300 -0.007 0.000 1.126 147 R HN -0.155 nan 8.270 nan 0.000 0.503 148 V N 6.049 125.972 119.914 0.016 0.000 2.407 148 V HA 0.214 4.334 4.120 0.000 0.000 0.278 148 V C 0.020 176.141 176.094 0.046 0.000 1.037 148 V CA -0.731 61.596 62.300 0.045 0.000 0.900 148 V CB 0.981 32.780 31.823 -0.041 0.000 0.983 148 V HN 0.560 nan 8.190 nan 0.000 0.459 149 F N 7.041 126.937 119.950 -0.089 0.000 2.484 149 F HA 0.553 5.080 4.527 0.000 0.000 0.360 149 F C 0.054 175.759 175.800 -0.158 0.000 1.101 149 F CA -0.076 57.712 58.000 -0.352 0.000 1.251 149 F CB 0.875 39.705 39.000 -0.283 0.000 1.132 149 F HN 0.393 nan 8.300 nan 0.000 0.570 150 V N 4.574 123.857 119.914 -1.051 0.000 2.925 150 V HA 0.618 4.738 4.120 0.000 0.000 0.311 150 V C -1.556 174.069 176.094 -0.781 0.000 1.104 150 V CA -1.025 60.844 62.300 -0.718 0.000 0.954 150 V CB 1.115 32.832 31.823 -0.178 0.000 1.022 150 V HN 0.904 nan 8.190 nan 0.000 0.427 151 Y N 1.793 121.712 120.300 -0.635 0.000 2.536 151 Y HA 0.963 5.513 4.550 0.000 0.000 0.347 151 Y C -0.095 175.424 175.900 -0.635 0.000 1.000 151 Y CA -1.062 56.709 58.100 -0.547 0.000 1.051 151 Y CB 1.777 39.916 38.460 -0.534 0.000 1.259 151 Y HN 1.062 nan 8.280 nan 0.000 0.468 152 A N 2.367 124.668 122.820 -0.866 0.000 2.276 152 A HA 0.778 5.098 4.320 0.000 0.000 0.300 152 A C -0.426 176.684 177.584 -0.790 0.000 1.235 152 A CA -0.186 51.076 52.037 -1.292 0.000 0.867 152 A CB -0.468 17.419 19.000 -1.855 0.000 1.137 152 A HN 1.296 nan 8.150 nan 0.000 0.527 153 A N 2.452 124.878 122.820 -0.657 0.000 2.271 153 A HA 0.831 5.151 4.320 0.000 0.000 0.317 153 A C 0.578 178.144 177.584 -0.030 0.000 1.245 153 A CA 0.267 52.187 52.037 -0.196 0.000 0.857 153 A CB 0.734 19.729 19.000 -0.010 0.000 1.175 153 A HN 1.955 nan 8.150 nan 0.000 0.512 154 G N 0.490 109.284 108.800 -0.010 0.000 2.929 154 G HA2 0.547 4.507 3.960 0.000 0.000 0.123 154 G HA3 0.547 4.507 3.960 0.000 0.000 0.123 154 G C 0.666 175.550 174.900 -0.027 0.000 1.212 154 G CA 0.607 45.804 45.100 0.162 0.000 1.238 154 G HN 2.159 nan 8.290 nan 0.000 0.617 155 G N -0.495 108.347 108.800 0.069 0.000 2.273 155 G HA2 -0.233 3.727 3.960 0.000 0.000 0.280 155 G HA3 -0.233 3.727 3.960 0.000 0.000 0.280 155 G C 0.176 174.954 174.900 -0.202 0.000 1.047 155 G CA 0.820 45.879 45.100 -0.069 0.000 0.869 155 G HN 0.715 nan 8.290 nan 0.000 0.502 156 Y N -1.460 118.787 120.300 -0.088 0.000 2.281 156 Y HA 0.503 5.053 4.550 0.000 0.000 0.337 156 Y C 1.046 176.898 175.900 -0.081 0.000 1.304 156 Y CA -0.312 57.747 58.100 -0.069 0.000 1.465 156 Y CB 0.493 38.952 38.460 -0.003 0.000 1.350 156 Y HN 0.221 nan 8.280 nan 0.000 0.575 157 Y N 0.846 121.323 120.300 0.294 0.000 2.336 157 Y HA 0.261 4.811 4.550 0.000 0.000 0.335 157 Y C -0.644 175.423 175.900 0.279 0.000 1.046 157 Y CA -0.387 57.848 58.100 0.224 0.000 1.198 157 Y CB 0.320 38.884 38.460 0.174 0.000 1.182 157 Y HN 0.415 nan 8.280 nan 0.000 0.502 158 Y N 5.190 125.622 120.300 0.219 0.000 2.477 158 Y HA 0.459 5.009 4.550 0.000 0.000 0.347 158 Y C -2.451 173.516 175.900 0.110 0.000 0.981 158 Y CA -3.070 55.110 58.100 0.133 0.000 1.033 158 Y CB 1.974 40.475 38.460 0.069 0.000 1.245 158 Y HN 0.419 nan 8.280 nan 0.000 0.455 159 P HA 0.142 nan 4.420 nan 0.000 0.261 159 P C 0.483 177.823 177.300 0.067 0.000 1.203 159 P CA 1.537 64.589 63.100 -0.080 0.000 0.767 159 P CB 0.518 32.096 31.700 -0.203 0.000 0.785 160 G N 2.421 111.277 108.800 0.094 0.000 2.159 160 G HA2 -0.263 3.697 3.960 0.000 0.000 0.256 160 G HA3 -0.263 3.697 3.960 0.000 0.000 0.256 160 G C 0.159 175.140 174.900 0.134 0.000 0.977 160 G CA 0.080 45.243 45.100 0.105 0.000 0.652 160 G HN 0.711 nan 8.290 nan 0.000 0.531 161 K N 0.807 121.315 120.400 0.180 0.000 2.276 161 K HA 0.560 4.880 4.320 0.000 0.000 0.285 161 K C 0.977 177.640 176.600 0.105 0.000 1.062 161 K CA 0.228 56.604 56.287 0.149 0.000 0.918 161 K CB 0.271 32.891 32.500 0.200 0.000 1.055 161 K HN 0.294 nan 8.250 nan 0.000 0.477 162 G N 2.667 111.506 108.800 0.064 0.000 2.705 162 G HA2 0.224 4.184 3.960 0.000 0.000 0.299 162 G HA3 0.224 4.184 3.960 0.000 0.000 0.299 162 G C 0.810 175.727 174.900 0.028 0.000 1.315 162 G CA -0.777 44.353 45.100 0.050 0.000 1.045 162 G HN 0.634 nan 8.290 nan 0.000 0.517 163 L N 0.369 121.605 121.223 0.022 0.000 2.079 163 L HA -0.181 4.159 4.340 0.000 0.000 0.210 163 L C 3.284 180.149 176.870 -0.008 0.000 1.081 163 L CA 1.895 56.738 54.840 0.005 0.000 0.752 163 L CB -0.643 41.419 42.059 0.006 0.000 0.896 163 L HN 0.679 nan 8.230 nan 0.000 0.433 164 S N 0.260 115.957 115.700 -0.005 0.000 2.365 164 S HA -0.290 4.180 4.470 0.000 0.000 0.221 164 S C 1.944 176.527 174.600 -0.029 0.000 1.037 164 S CA 1.587 59.778 58.200 -0.015 0.000 1.060 164 S CB -0.640 62.554 63.200 -0.009 0.000 0.974 164 S HN 0.330 nan 8.310 nan 0.000 0.427 165 M N 1.038 120.621 119.600 -0.028 0.000 2.117 165 M HA 0.041 4.521 4.480 0.000 0.000 0.262 165 M C 2.448 178.708 176.300 -0.067 0.000 1.065 165 M CA 1.300 56.570 55.300 -0.051 0.000 1.114 165 M CB -0.577 31.998 32.600 -0.042 0.000 1.361 165 M HN 0.319 nan 8.290 nan 0.000 0.408 166 L N 0.022 121.218 121.223 -0.046 0.000 1.990 166 L HA -0.298 4.042 4.340 0.000 0.000 0.213 166 L C 2.809 179.638 176.870 -0.067 0.000 1.072 166 L CA 1.617 56.425 54.840 -0.053 0.000 0.755 166 L CB -0.358 41.677 42.059 -0.039 0.000 0.889 166 L HN 0.301 nan 8.230 nan 0.000 0.432 167 R N -0.499 119.967 120.500 -0.055 0.000 2.096 167 R HA -0.187 4.153 4.340 0.000 0.000 0.240 167 R C 2.119 178.370 176.300 -0.082 0.000 1.139 167 R CA 1.566 57.633 56.100 -0.056 0.000 0.952 167 R CB -1.009 29.267 30.300 -0.041 0.000 0.854 167 R HN 0.559 nan 8.270 nan 0.000 0.436 168 G N 0.984 109.729 108.800 -0.092 0.000 2.446 168 G HA2 -0.341 3.619 3.960 0.000 0.000 0.217 168 G HA3 -0.341 3.619 3.960 0.000 0.000 0.217 168 G C 1.298 176.081 174.900 -0.195 0.000 1.168 168 G CA 0.949 45.977 45.100 -0.119 0.000 0.771 168 G HN 0.475 nan 8.290 nan 0.000 0.551 169 E N -0.391 119.670 120.200 -0.232 0.000 2.049 169 E HA -0.216 4.134 4.350 0.000 0.000 0.198 169 E C 2.570 178.799 176.600 -0.618 0.000 1.007 169 E CA 1.468 57.620 56.400 -0.413 0.000 0.809 169 E CB -0.167 29.365 29.700 -0.279 0.000 0.749 169 E HN 0.276 nan 8.360 nan 0.000 0.450 170 M N 0.440 119.874 119.600 -0.277 0.000 2.065 170 M HA -0.142 4.338 4.480 0.000 0.000 0.259 170 M C 2.444 178.685 176.300 -0.098 0.000 1.069 170 M CA 1.489 56.735 55.300 -0.091 0.000 1.110 170 M CB -1.269 31.332 32.600 0.003 0.000 1.328 170 M HN 0.069 nan 8.290 nan 0.000 0.405 171 R N 0.765 121.201 120.500 -0.107 0.000 2.105 171 R HA -0.080 4.260 4.340 0.000 0.000 0.239 171 R C 2.167 178.416 176.300 -0.086 0.000 1.135 171 R CA 2.068 58.128 56.100 -0.067 0.000 0.967 171 R CB -1.426 28.835 30.300 -0.064 0.000 0.861 171 R HN 0.435 nan 8.270 nan 0.000 0.442 172 G N -0.887 107.793 108.800 -0.199 0.000 2.442 172 G HA2 -0.276 3.684 3.960 0.000 0.000 0.219 172 G HA3 -0.276 3.684 3.960 0.000 0.000 0.219 172 G C 0.975 175.825 174.900 -0.085 0.000 1.141 172 G CA 1.044 46.025 45.100 -0.199 0.000 0.763 172 G HN 0.373 nan 8.290 nan 0.000 0.554 173 Y N 0.146 120.459 120.300 0.022 0.000 2.163 173 Y HA 0.057 4.607 4.550 0.000 0.000 0.288 173 Y C 2.725 178.725 175.900 0.168 0.000 1.136 173 Y CA 0.233 58.387 58.100 0.090 0.000 1.147 173 Y CB -0.927 37.500 38.460 -0.055 0.000 0.987 173 Y HN 0.046 nan 8.280 nan 0.000 0.509 174 L N 0.125 121.481 121.223 0.222 0.000 2.083 174 L HA -0.213 4.127 4.340 0.000 0.000 0.209 174 L C 1.883 178.808 176.870 0.092 0.000 1.083 174 L CA 1.689 56.613 54.840 0.141 0.000 0.752 174 L CB -0.880 41.223 42.059 0.074 0.000 0.899 174 L HN 0.140 nan 8.230 nan 0.000 0.433 175 D N -0.349 120.092 120.400 0.068 0.000 2.218 175 D HA -0.155 4.485 4.640 0.000 0.000 0.204 175 D C 1.999 178.323 176.300 0.040 0.000 0.976 175 D CA 0.950 54.971 54.000 0.034 0.000 0.853 175 D CB -0.063 40.744 40.800 0.011 0.000 0.939 175 D HN 0.272 nan 8.370 nan 0.000 0.481 176 R N -0.685 119.871 120.500 0.094 0.000 2.335 176 R HA 0.255 4.595 4.340 0.000 0.000 0.223 176 R C 1.280 177.525 176.300 -0.092 0.000 0.940 176 R CA 0.503 56.637 56.100 0.055 0.000 1.086 176 R CB 0.349 30.761 30.300 0.187 0.000 1.073 176 R HN 0.145 nan 8.270 nan 0.000 0.504 177 G N -0.621 108.145 108.800 -0.056 0.000 2.175 177 G HA2 -0.311 3.649 3.960 0.000 0.000 0.244 177 G HA3 -0.311 3.649 3.960 0.000 0.000 0.244 177 G C -0.303 174.502 174.900 -0.158 0.000 0.982 177 G CA -0.414 44.607 45.100 -0.132 0.000 0.641 177 G HN 0.272 nan 8.290 nan 0.000 0.527 178 Y N 1.427 121.712 120.300 -0.025 0.000 2.377 178 Y HA 0.362 4.912 4.550 0.000 0.000 0.330 178 Y C 1.572 177.442 175.900 -0.050 0.000 1.108 178 Y CA 0.373 58.432 58.100 -0.068 0.000 1.308 178 Y CB 0.632 39.047 38.460 -0.075 0.000 1.216 178 Y HN 0.379 nan 8.280 nan 0.000 0.518 179 N N 0.103 118.860 118.700 0.094 0.000 2.187 179 N HA 0.265 5.005 4.740 0.000 0.000 0.212 179 N C -1.197 174.278 175.510 -0.058 0.000 1.152 179 N CA 0.002 53.073 53.050 0.035 0.000 0.872 179 N CB 0.701 39.217 38.487 0.048 0.000 1.025 179 N HN 0.256 nan 8.380 nan 0.000 0.514 180 V N 1.631 121.489 119.914 -0.093 0.000 2.668 180 V HA 0.394 4.514 4.120 0.000 0.000 0.304 180 V C -0.657 175.299 176.094 -0.230 0.000 1.071 180 V CA -0.807 61.321 62.300 -0.288 0.000 0.894 180 V CB 1.958 33.486 31.823 -0.492 0.000 1.008 180 V HN 0.162 nan 8.190 nan 0.000 0.425 181 V N 2.080 121.848 119.914 -0.243 0.000 2.962 181 V HA 0.767 4.887 4.120 0.000 0.000 0.313 181 V C -0.758 175.204 176.094 -0.220 0.000 1.099 181 V CA -1.008 61.165 62.300 -0.212 0.000 0.971 181 V CB 2.046 33.813 31.823 -0.093 0.000 1.028 181 V HN 0.838 nan 8.190 nan 0.000 0.430 182 K N 4.052 124.355 120.400 -0.162 0.000 2.324 182 K HA 0.799 5.119 4.320 0.000 0.000 0.253 182 K C -0.800 175.746 176.600 -0.090 0.000 0.932 182 K CA -0.828 55.374 56.287 -0.140 0.000 0.799 182 K CB 2.028 34.492 32.500 -0.060 0.000 1.154 182 K HN 1.038 nan 8.250 nan 0.000 0.425 183 M N 1.807 121.351 119.600 -0.094 0.000 2.535 183 M HA 0.544 5.024 4.480 0.000 0.000 0.314 183 M C -0.924 175.287 176.300 -0.148 0.000 1.153 183 M CA -1.053 54.167 55.300 -0.133 0.000 0.924 183 M CB 1.824 34.355 32.600 -0.114 0.000 1.710 183 M HN 0.163 nan 8.290 nan 0.000 0.451 184 K N 3.109 123.346 120.400 -0.271 0.000 2.202 184 K HA 0.674 4.994 4.320 0.000 0.000 0.264 184 K C -0.294 176.255 176.600 -0.084 0.000 1.010 184 K CA -0.242 55.927 56.287 -0.197 0.000 0.940 184 K CB 0.915 33.243 32.500 -0.285 0.000 0.983 184 K HN 0.923 nan 8.250 nan 0.000 0.475 185 I N -4.626 116.014 120.570 0.117 0.000 3.279 185 I HA 0.624 4.794 4.170 0.000 0.000 0.315 185 I C 0.640 176.945 176.117 0.314 0.000 1.187 185 I CA -0.737 60.735 61.300 0.287 0.000 0.953 185 I CB 2.125 40.290 38.000 0.274 0.000 1.279 185 I HN 0.583 nan 8.210 nan 0.000 0.465 186 G N 1.171 110.215 108.800 0.406 0.000 2.162 186 G HA2 -0.199 3.761 3.960 0.000 0.000 0.260 186 G HA3 -0.199 3.761 3.960 0.000 0.000 0.260 186 G C 0.718 175.763 174.900 0.242 0.000 0.976 186 G CA 0.330 45.660 45.100 0.383 0.000 0.655 186 G HN 1.491 nan 8.290 nan 0.000 0.533 187 G N -0.825 108.055 108.800 0.133 0.000 3.233 187 G HA2 0.761 4.721 3.960 0.000 0.000 0.234 187 G HA3 0.761 4.721 3.960 0.000 0.000 0.234 187 G C 0.360 174.884 174.900 -0.626 0.000 1.137 187 G CA 1.542 46.357 45.100 -0.475 0.000 0.763 187 G HN 1.803 nan 8.290 nan 0.000 0.549 188 A N -0.553 122.181 122.820 -0.143 0.000 2.586 188 A HA 0.752 5.072 4.320 0.000 0.000 0.290 188 A C -3.058 174.601 177.584 0.125 0.000 1.086 188 A CA -1.106 50.912 52.037 -0.032 0.000 0.665 188 A CB 0.373 19.380 19.000 0.011 0.000 1.279 188 A HN -0.031 nan 8.150 nan 0.000 0.423 189 P HA 0.013 nan 4.420 nan 0.000 0.266 189 P C 1.026 178.376 177.300 0.084 0.000 1.180 189 P CA 0.166 63.309 63.100 0.071 0.000 0.765 189 P CB 0.388 32.110 31.700 0.036 0.000 0.806 190 I N 2.078 122.643 120.570 -0.009 0.000 2.286 190 I HA -0.245 3.925 4.170 0.000 0.000 0.248 190 I C 1.655 177.684 176.117 -0.148 0.000 1.115 190 I CA 1.633 62.794 61.300 -0.230 0.000 1.392 190 I CB 0.091 37.769 38.000 -0.537 0.000 1.065 190 I HN 0.343 nan 8.210 nan 0.000 0.418 191 E N 0.392 120.546 120.200 -0.077 0.000 2.274 191 E HA -0.238 4.112 4.350 0.000 0.000 0.194 191 E C 1.838 178.442 176.600 0.006 0.000 0.996 191 E CA 0.764 57.142 56.400 -0.036 0.000 0.840 191 E CB -0.033 29.653 29.700 -0.024 0.000 0.772 191 E HN 0.614 nan 8.360 nan 0.000 0.491 192 E N 0.610 120.830 120.200 0.033 0.000 2.046 192 E HA -0.155 4.195 4.350 0.000 0.000 0.190 192 E C 1.374 178.029 176.600 0.091 0.000 0.982 192 E CA 0.802 57.242 56.400 0.066 0.000 0.800 192 E CB 0.198 29.951 29.700 0.087 0.000 0.756 192 E HN 0.047 nan 8.360 nan 0.000 0.449 193 D N 0.243 120.718 120.400 0.126 0.000 2.144 193 D HA -0.178 4.462 4.640 0.000 0.000 0.199 193 D C 1.956 178.295 176.300 0.065 0.000 0.984 193 D CA 0.687 54.788 54.000 0.169 0.000 0.834 193 D CB -0.197 40.795 40.800 0.320 0.000 0.955 193 D HN 0.139 nan 8.370 nan 0.000 0.465 194 R N 0.101 120.608 120.500 0.012 0.000 2.081 194 R HA -0.093 4.247 4.340 0.000 0.000 0.235 194 R C 2.249 178.517 176.300 -0.054 0.000 1.131 194 R CA 0.967 57.051 56.100 -0.026 0.000 0.960 194 R CB -0.182 30.133 30.300 0.024 0.000 0.856 194 R HN 0.176 nan 8.270 nan 0.000 0.436 195 M N -0.258 119.338 119.600 -0.007 0.000 2.132 195 M HA -0.121 4.359 4.480 0.000 0.000 0.263 195 M C 2.370 178.657 176.300 -0.023 0.000 1.065 195 M CA 1.629 56.925 55.300 -0.007 0.000 1.122 195 M CB -0.097 32.513 32.600 0.017 0.000 1.365 195 M HN 0.115 nan 8.290 nan 0.000 0.411 196 R N 0.285 120.783 120.500 -0.002 0.000 2.083 196 R HA -0.129 4.211 4.340 0.000 0.000 0.237 196 R C 2.025 178.286 176.300 -0.064 0.000 1.137 196 R CA 1.576 57.669 56.100 -0.013 0.000 0.951 196 R CB -0.545 29.765 30.300 0.015 0.000 0.851 196 R HN 0.343 nan 8.270 nan 0.000 0.434 197 I N 0.898 121.406 120.570 -0.103 0.000 2.127 197 I HA -0.301 3.869 4.170 0.000 0.000 0.241 197 I C 2.150 178.127 176.117 -0.233 0.000 1.075 197 I CA 1.560 62.745 61.300 -0.193 0.000 1.334 197 I CB -0.293 37.516 38.000 -0.318 0.000 1.040 197 I HN 0.236 nan 8.210 nan 0.000 0.405 198 E N 0.738 120.786 120.200 -0.253 0.000 2.160 198 E HA -0.251 4.099 4.350 0.000 0.000 0.195 198 E C 2.283 178.838 176.600 -0.074 0.000 0.991 198 E CA 1.190 57.492 56.400 -0.164 0.000 0.810 198 E CB -0.213 29.445 29.700 -0.070 0.000 0.742 198 E HN 0.561 nan 8.360 nan 0.000 0.466 199 A N 1.096 123.879 122.820 -0.062 0.000 1.851 199 A HA -0.183 4.137 4.320 0.000 0.000 0.216 199 A C 2.558 180.119 177.584 -0.039 0.000 1.195 199 A CA 1.600 53.615 52.037 -0.037 0.000 0.622 199 A CB -0.869 18.114 19.000 -0.030 0.000 0.831 199 A HN 0.126 nan 8.150 nan 0.000 0.444 200 V N -0.064 119.818 119.914 -0.053 0.000 2.295 200 V HA -0.227 3.893 4.120 0.000 0.000 0.246 200 V C 2.485 178.558 176.094 -0.036 0.000 1.049 200 V CA 1.747 64.020 62.300 -0.044 0.000 1.024 200 V CB -0.895 30.898 31.823 -0.051 0.000 0.648 200 V HN 0.463 nan 8.190 nan 0.000 0.447 201 L N 0.167 121.361 121.223 -0.048 0.000 2.129 201 L HA -0.192 4.148 4.340 0.000 0.000 0.212 201 L C 2.470 179.341 176.870 0.002 0.000 1.087 201 L CA 2.129 56.959 54.840 -0.018 0.000 0.757 201 L CB -1.235 40.816 42.059 -0.013 0.000 0.896 201 L HN 0.524 nan 8.230 nan 0.000 0.434 202 E N -0.214 119.983 120.200 -0.005 0.000 2.028 202 E HA -0.228 4.122 4.350 0.000 0.000 0.190 202 E C 2.106 178.706 176.600 -0.000 0.000 0.984 202 E CA 1.197 57.599 56.400 0.004 0.000 0.800 202 E CB -0.072 29.629 29.700 0.002 0.000 0.758 202 E HN 0.340 nan 8.360 nan 0.000 0.448 203 E N 0.741 120.935 120.200 -0.009 0.000 2.058 203 E HA -0.176 4.174 4.350 0.000 0.000 0.194 203 E C 2.081 178.678 176.600 -0.006 0.000 0.997 203 E CA 2.060 58.453 56.400 -0.011 0.000 0.801 203 E CB -0.503 29.185 29.700 -0.021 0.000 0.746 203 E HN 0.626 nan 8.360 nan 0.000 0.450 204 I N -3.407 117.161 120.570 -0.003 0.000 3.059 204 I HA 0.242 4.412 4.170 0.000 0.000 0.270 204 I C 1.672 177.793 176.117 0.008 0.000 1.238 204 I CA 0.618 61.920 61.300 0.003 0.000 1.478 204 I CB -0.687 37.314 38.000 0.001 0.000 1.097 204 I HN 0.203 nan 8.210 nan 0.000 0.455 205 G N 2.966 111.772 108.800 0.010 0.000 2.690 205 G HA2 -0.409 3.551 3.960 0.000 0.000 0.334 205 G HA3 -0.409 3.551 3.960 0.000 0.000 0.334 205 G C 0.752 175.664 174.900 0.020 0.000 1.250 205 G CA 1.019 46.129 45.100 0.016 0.000 0.994 205 G HN 0.550 nan 8.290 nan 0.000 0.549 206 K N 0.955 121.366 120.400 0.019 0.000 2.399 206 K HA 0.218 4.538 4.320 0.000 0.000 0.204 206 K C 0.590 177.201 176.600 0.019 0.000 1.023 206 K CA 0.266 56.566 56.287 0.022 0.000 1.127 206 K CB 0.543 33.057 32.500 0.022 0.000 0.856 206 K HN 0.369 nan 8.250 nan 0.000 0.514 207 D N 0.718 121.127 120.400 0.015 0.000 2.360 207 D HA 0.096 4.736 4.640 0.000 0.000 0.210 207 D C 0.204 176.512 176.300 0.012 0.000 1.047 207 D CA 0.325 54.334 54.000 0.015 0.000 0.854 207 D CB 0.823 41.632 40.800 0.015 0.000 0.936 207 D HN 0.190 nan 8.370 nan 0.000 0.514 208 A N 0.064 122.886 122.820 0.003 0.000 2.601 208 A HA 0.520 4.840 4.320 0.000 0.000 0.291 208 A C -1.401 176.160 177.584 -0.038 0.000 1.075 208 A CA -0.715 51.309 52.037 -0.021 0.000 0.671 208 A CB 1.527 20.519 19.000 -0.013 0.000 1.277 208 A HN -0.095 nan 8.150 nan 0.000 0.417 209 Q N -0.372 119.366 119.800 -0.104 0.000 2.301 209 Q HA 0.647 4.987 4.340 0.000 0.000 0.267 209 Q C -1.409 174.505 176.000 -0.143 0.000 1.035 209 Q CA -0.871 54.876 55.803 -0.094 0.000 0.856 209 Q CB 2.608 31.281 28.738 -0.108 0.000 1.337 209 Q HN 0.654 nan 8.270 nan 0.000 0.450 210 L N 1.172 122.359 121.223 -0.060 0.000 2.325 210 L HA 0.798 5.138 4.340 0.000 0.000 0.278 210 L C -1.487 175.330 176.870 -0.088 0.000 1.023 210 L CA -0.227 54.560 54.840 -0.088 0.000 0.811 210 L CB 1.636 43.668 42.059 -0.045 0.000 1.249 210 L HN 0.706 nan 8.230 nan 0.000 0.431 211 A N 4.585 127.273 122.820 -0.219 0.000 2.355 211 A HA 0.760 5.081 4.320 0.000 0.000 0.317 211 A C -1.049 176.463 177.584 -0.120 0.000 1.094 211 A CA -0.329 51.519 52.037 -0.316 0.000 0.764 211 A CB 1.520 19.890 19.000 -1.050 0.000 1.230 211 A HN 1.020 nan 8.150 nan 0.000 0.448 212 V N -0.428 119.525 119.914 0.066 0.000 2.667 212 V HA 0.814 4.934 4.120 0.000 0.000 0.308 212 V C -0.957 175.286 176.094 0.249 0.000 1.048 212 V CA -0.700 61.675 62.300 0.125 0.000 0.928 212 V CB 1.820 33.719 31.823 0.126 0.000 1.004 212 V HN 0.794 nan 8.190 nan 0.000 0.444 213 D N 2.775 123.274 120.400 0.165 0.000 2.620 213 D HA 0.672 5.312 4.640 0.000 0.000 0.252 213 D C 0.387 176.715 176.300 0.047 0.000 1.207 213 D CA 0.012 54.105 54.000 0.156 0.000 0.884 213 D CB 2.089 42.982 40.800 0.154 0.000 1.262 213 D HN 0.845 nan 8.370 nan 0.000 0.552 214 A N 3.761 126.547 122.820 -0.056 0.000 2.251 214 A HA 0.097 4.417 4.320 0.000 0.000 0.209 214 A C 0.947 178.364 177.584 -0.278 0.000 1.187 214 A CA -0.075 51.752 52.037 -0.350 0.000 0.823 214 A CB -0.376 18.069 19.000 -0.925 0.000 0.846 214 A HN 0.751 nan 8.150 nan 0.000 0.486 215 N N -1.019 117.618 118.700 -0.105 0.000 2.708 215 N HA -0.220 4.521 4.740 0.000 0.000 0.249 215 N C 0.829 176.286 175.510 -0.089 0.000 1.097 215 N CA 1.189 54.215 53.050 -0.041 0.000 0.710 215 N CB -1.494 37.047 38.487 0.091 0.000 1.032 215 N HN 1.312 nan 8.380 nan 0.000 0.551 216 G N -0.052 108.645 108.800 -0.171 0.000 2.249 216 G HA2 -0.381 3.579 3.960 0.000 0.000 0.273 216 G HA3 -0.381 3.579 3.960 0.000 0.000 0.273 216 G C 0.858 175.781 174.900 0.038 0.000 1.036 216 G CA 1.077 46.096 45.100 -0.135 0.000 0.824 216 G HN 0.565 nan 8.290 nan 0.000 0.504 217 R N -0.819 119.662 120.500 -0.032 0.000 2.173 217 R HA 0.308 4.648 4.340 0.000 0.000 0.208 217 R C 1.019 177.406 176.300 0.145 0.000 1.035 217 R CA 0.201 56.361 56.100 0.099 0.000 1.004 217 R CB -0.158 30.145 30.300 0.006 0.000 0.917 217 R HN 0.263 nan 8.270 nan 0.000 0.462 218 F N 1.573 121.535 119.950 0.020 0.000 2.418 218 F HA 0.214 4.742 4.527 0.000 0.000 0.341 218 F C 0.795 176.602 175.800 0.012 0.000 1.120 218 F CA -1.609 56.391 58.000 -0.000 0.000 1.232 218 F CB -0.114 38.875 39.000 -0.019 0.000 1.175 218 F HN 0.109 nan 8.300 nan 0.000 0.569 219 N N 1.066 119.898 118.700 0.220 0.000 2.448 219 N HA 0.265 5.005 4.740 0.000 0.000 0.274 219 N C 0.736 176.308 175.510 0.105 0.000 1.239 219 N CA -0.690 52.430 53.050 0.118 0.000 0.982 219 N CB 0.097 38.627 38.487 0.072 0.000 1.199 219 N HN 0.440 nan 8.380 nan 0.000 0.576 220 L N -0.252 121.012 121.223 0.068 0.000 1.989 220 L HA -0.120 4.220 4.340 0.000 0.000 0.211 220 L C 1.837 178.721 176.870 0.022 0.000 1.071 220 L CA 1.929 56.804 54.840 0.058 0.000 0.749 220 L CB -0.955 41.136 42.059 0.054 0.000 0.890 220 L HN 0.697 nan 8.230 nan 0.000 0.431 221 E N -1.331 118.869 120.200 -0.001 0.000 2.077 221 E HA -0.197 4.153 4.350 0.000 0.000 0.193 221 E C 1.939 178.505 176.600 -0.056 0.000 0.989 221 E CA 1.769 58.144 56.400 -0.043 0.000 0.800 221 E CB -0.206 29.474 29.700 -0.033 0.000 0.746 221 E HN 0.569 nan 8.360 nan 0.000 0.452 222 T N 0.132 114.657 114.554 -0.047 0.000 2.777 222 T HA -0.114 4.236 4.350 0.000 0.000 0.266 222 T C 1.907 176.516 174.700 -0.152 0.000 1.040 222 T CA 1.157 63.174 62.100 -0.138 0.000 1.141 222 T CB -0.546 68.187 68.868 -0.226 0.000 0.868 222 T HN 0.360 nan 8.240 nan 0.000 0.444 223 G N 1.360 110.172 108.800 0.021 0.000 2.440 223 G HA2 -0.160 3.800 3.960 0.000 0.000 0.218 223 G HA3 -0.160 3.800 3.960 0.000 0.000 0.218 223 G C 1.516 176.538 174.900 0.204 0.000 1.154 223 G CA 0.552 45.793 45.100 0.235 0.000 0.767 223 G HN 0.496 nan 8.290 nan 0.000 0.552 224 I N 1.129 121.716 120.570 0.029 0.000 2.353 224 I HA -0.099 4.071 4.170 0.000 0.000 0.248 224 I C 3.274 179.352 176.117 -0.065 0.000 1.119 224 I CA 0.762 61.992 61.300 -0.116 0.000 1.417 224 I CB -0.221 37.504 38.000 -0.458 0.000 1.078 224 I HN 0.247 nan 8.210 nan 0.000 0.421 225 A N 0.457 123.243 122.820 -0.056 0.000 1.858 225 A HA -0.257 4.063 4.320 0.000 0.000 0.216 225 A C 2.182 179.745 177.584 -0.035 0.000 1.190 225 A CA 1.598 53.594 52.037 -0.068 0.000 0.617 225 A CB -1.137 17.805 19.000 -0.096 0.000 0.827 225 A HN 0.390 nan 8.150 nan 0.000 0.443 226 Y N -0.105 120.134 120.300 -0.102 0.000 2.274 226 Y HA -0.114 4.436 4.550 0.000 0.000 0.290 226 Y C 2.868 178.754 175.900 -0.023 0.000 1.145 226 Y CA 1.016 59.081 58.100 -0.058 0.000 1.203 226 Y CB -0.240 38.203 38.460 -0.029 0.000 0.984 226 Y HN 0.365 nan 8.280 nan 0.000 0.533 227 A N 0.240 123.201 122.820 0.234 0.000 1.877 227 A HA -0.228 4.092 4.320 0.000 0.000 0.216 227 A C 2.129 179.888 177.584 0.291 0.000 1.186 227 A CA 1.897 54.114 52.037 0.300 0.000 0.620 227 A CB -0.497 18.772 19.000 0.448 0.000 0.822 227 A HN 0.393 nan 8.150 nan 0.000 0.443 228 K N -1.180 119.322 120.400 0.171 0.000 2.147 228 K HA -0.098 4.222 4.320 0.000 0.000 0.205 228 K C 2.129 178.775 176.600 0.077 0.000 1.049 228 K CA 1.401 57.759 56.287 0.119 0.000 0.936 228 K CB -0.201 32.329 32.500 0.050 0.000 0.722 228 K HN 0.524 nan 8.250 nan 0.000 0.446 229 M N 0.527 120.159 119.600 0.053 0.000 2.160 229 M HA -0.072 4.408 4.480 0.000 0.000 0.264 229 M C 1.731 178.138 176.300 0.177 0.000 1.073 229 M CA 1.413 56.746 55.300 0.055 0.000 1.142 229 M CB -0.188 32.384 32.600 -0.046 0.000 1.358 229 M HN 0.053 nan 8.290 nan 0.000 0.422 230 L N 1.412 122.753 121.223 0.197 0.000 2.083 230 L HA -0.150 4.190 4.340 0.000 0.000 0.209 230 L C 2.657 179.745 176.870 0.363 0.000 1.083 230 L CA 1.849 56.868 54.840 0.300 0.000 0.752 230 L CB -1.216 40.880 42.059 0.061 0.000 0.899 230 L HN 0.454 nan 8.230 nan 0.000 0.433 231 R N -1.061 119.623 120.500 0.306 0.000 2.241 231 R HA -0.125 4.215 4.340 0.000 0.000 0.224 231 R C 0.928 177.217 176.300 -0.019 0.000 1.101 231 R CA 1.352 57.515 56.100 0.105 0.000 0.995 231 R CB -0.607 29.723 30.300 0.050 0.000 0.870 231 R HN 0.294 nan 8.270 nan 0.000 0.463 232 D N -0.090 120.241 120.400 -0.114 0.000 2.355 232 D HA -0.001 4.639 4.640 0.000 0.000 0.218 232 D C -0.359 175.667 176.300 -0.456 0.000 1.004 232 D CA 0.738 54.543 54.000 -0.326 0.000 0.880 232 D CB 0.077 40.590 40.800 -0.477 0.000 0.911 232 D HN 0.222 nan 8.370 nan 0.000 0.528 233 Y N 0.198 120.527 120.300 0.048 0.000 2.420 233 Y HA 0.310 4.860 4.550 0.000 0.000 0.334 233 Y C -1.707 174.230 175.900 0.061 0.000 1.094 233 Y CA -2.690 55.441 58.100 0.051 0.000 1.126 233 Y CB 1.009 39.504 38.460 0.059 0.000 1.217 233 Y HN -0.220 nan 8.280 nan 0.000 0.462 234 P HA 0.080 nan 4.420 nan 0.000 0.226 234 P C -0.780 176.631 177.300 0.186 0.000 1.783 234 P CA 0.039 63.232 63.100 0.154 0.000 0.980 234 P CB -0.262 31.510 31.700 0.121 0.000 1.967 235 L N 0.572 121.928 121.223 0.223 0.000 2.452 235 L HA 0.131 4.471 4.340 0.000 0.000 0.267 235 L C 1.783 178.826 176.870 0.289 0.000 1.188 235 L CA 0.028 55.013 54.840 0.241 0.000 0.821 235 L CB -0.781 41.450 42.059 0.285 0.000 1.102 235 L HN 0.055 nan 8.230 nan 0.000 0.470 236 F N 1.818 121.809 119.950 0.067 0.000 2.187 236 F HA 0.026 4.553 4.527 0.000 0.000 0.295 236 F C 0.162 176.160 175.800 0.330 0.000 1.091 236 F CA 0.657 58.702 58.000 0.074 0.000 1.308 236 F CB 0.260 39.136 39.000 -0.207 0.000 1.030 236 F HN 0.554 nan 8.300 nan 0.000 0.487 237 W N -1.611 119.845 121.300 0.260 0.000 3.161 237 W HA 0.351 5.011 4.660 0.000 0.000 0.314 237 W C -2.469 174.238 176.519 0.312 0.000 1.245 237 W CA -2.235 55.266 57.345 0.259 0.000 1.191 237 W CB -0.480 29.086 29.460 0.178 0.000 1.392 237 W HN -0.129 nan 8.180 nan 0.000 0.568 238 Y N 3.401 124.017 120.300 0.528 0.000 2.402 238 Y HA 0.529 5.079 4.550 0.000 0.000 0.332 238 Y C -0.366 175.642 175.900 0.181 0.000 0.960 238 Y CA -1.981 56.254 58.100 0.226 0.000 1.228 238 Y CB 0.860 39.170 38.460 -0.251 0.000 1.120 238 Y HN 0.672 nan 8.280 nan 0.000 0.491 239 E N 4.223 124.659 120.200 0.393 0.000 2.204 239 E HA 0.206 4.556 4.350 0.000 0.000 0.276 239 E C -0.531 176.019 176.600 -0.084 0.000 0.974 239 E CA -0.560 55.887 56.400 0.077 0.000 0.815 239 E CB 0.803 30.647 29.700 0.239 0.000 1.119 239 E HN 0.740 nan 8.360 nan 0.000 0.393 240 E N 2.512 122.611 120.200 -0.168 0.000 2.131 240 E HA -0.240 4.110 4.350 0.000 0.000 0.166 240 E C 0.332 176.770 176.600 -0.269 0.000 1.514 240 E CA 0.145 56.429 56.400 -0.194 0.000 0.646 240 E CB -0.629 28.986 29.700 -0.141 0.000 1.051 240 E HN 0.503 nan 8.360 nan 0.000 0.315 241 V N 1.341 121.034 119.914 -0.368 0.000 2.233 241 V HA -0.151 3.969 4.120 0.000 0.000 0.247 241 V C 1.562 177.532 176.094 -0.208 0.000 1.050 241 V CA 2.206 64.276 62.300 -0.383 0.000 1.010 241 V CB -0.504 31.054 31.823 -0.442 0.000 0.637 241 V HN 0.596 nan 8.190 nan 0.000 0.444 242 G N -1.342 107.385 108.800 -0.121 0.000 2.938 242 G HA2 0.323 4.283 3.960 0.000 0.000 0.258 242 G HA3 0.323 4.283 3.960 0.000 0.000 0.258 242 G C -1.109 173.747 174.900 -0.074 0.000 1.356 242 G CA -0.309 44.766 45.100 -0.043 0.000 1.052 242 G HN 0.234 nan 8.290 nan 0.000 0.550 243 D N -0.122 120.252 120.400 -0.043 0.000 2.506 243 D HA 0.016 4.656 4.640 0.000 0.000 0.234 243 D C -1.113 175.095 176.300 -0.153 0.000 1.143 243 D CA -0.883 53.070 54.000 -0.078 0.000 0.871 243 D CB 1.614 42.382 40.800 -0.053 0.000 1.190 243 D HN -0.110 nan 8.370 nan 0.000 0.459 244 P HA -0.097 nan 4.420 nan 0.000 0.217 244 P C 1.128 178.253 177.300 -0.293 0.000 1.148 244 P CA 1.042 64.022 63.100 -0.199 0.000 0.828 244 P CB 0.168 31.745 31.700 -0.204 0.000 0.783 245 L N -1.755 119.249 121.223 -0.366 0.000 2.607 245 L HA 0.147 4.487 4.340 0.000 0.000 0.228 245 L C 0.903 177.271 176.870 -0.837 0.000 1.123 245 L CA 0.130 54.570 54.840 -0.666 0.000 0.890 245 L CB -0.253 41.601 42.059 -0.342 0.000 1.103 245 L HN -0.142 nan 8.230 nan 0.000 0.468 246 D N -0.472 119.641 120.400 -0.479 0.000 2.631 246 D HA 0.001 4.641 4.640 0.000 0.000 0.227 246 D C 0.971 177.153 176.300 -0.195 0.000 1.146 246 D CA -0.271 53.560 54.000 -0.282 0.000 1.009 246 D CB 0.288 41.014 40.800 -0.123 0.000 1.057 246 D HN 0.102 nan 8.370 nan 0.000 0.509 247 Y N 1.203 121.519 120.300 0.027 0.000 2.207 247 Y HA -0.193 4.357 4.550 0.000 0.000 0.287 247 Y C 2.483 178.420 175.900 0.062 0.000 1.156 247 Y CA 1.096 59.229 58.100 0.056 0.000 1.182 247 Y CB -0.854 37.681 38.460 0.126 0.000 0.979 247 Y HN 0.400 nan 8.280 nan 0.000 0.521 248 A N 0.108 123.032 122.820 0.173 0.000 1.902 248 A HA -0.165 4.155 4.320 0.000 0.000 0.217 248 A C 2.347 179.993 177.584 0.103 0.000 1.181 248 A CA 1.577 53.689 52.037 0.124 0.000 0.623 248 A CB -1.096 17.950 19.000 0.077 0.000 0.818 248 A HN 0.532 nan 8.150 nan 0.000 0.443 249 L N -0.918 120.348 121.223 0.072 0.000 1.994 249 L HA -0.253 4.087 4.340 0.000 0.000 0.208 249 L C 2.741 179.661 176.870 0.083 0.000 1.071 249 L CA 2.438 57.320 54.840 0.070 0.000 0.745 249 L CB -0.376 41.706 42.059 0.037 0.000 0.892 249 L HN 0.495 nan 8.230 nan 0.000 0.431 250 Q N 0.233 120.074 119.800 0.069 0.000 2.112 250 Q HA -0.245 4.095 4.340 0.000 0.000 0.206 250 Q C 2.028 178.088 176.000 0.101 0.000 0.987 250 Q CA 2.501 58.343 55.803 0.065 0.000 0.858 250 Q CB -0.487 28.295 28.738 0.073 0.000 0.905 250 Q HN 0.625 nan 8.270 nan 0.000 0.420 251 A N 0.116 123.010 122.820 0.123 0.000 1.902 251 A HA -0.018 4.302 4.320 0.000 0.000 0.217 251 A C 2.284 179.940 177.584 0.120 0.000 1.181 251 A CA 1.852 53.962 52.037 0.120 0.000 0.623 251 A CB -1.142 17.935 19.000 0.128 0.000 0.818 251 A HN 0.543 nan 8.150 nan 0.000 0.443 252 A N -0.930 121.973 122.820 0.138 0.000 2.019 252 A HA 0.030 4.350 4.320 0.000 0.000 0.219 252 A C 1.903 179.641 177.584 0.256 0.000 1.164 252 A CA 1.475 53.617 52.037 0.176 0.000 0.644 252 A CB -0.426 18.690 19.000 0.194 0.000 0.805 252 A HN 0.386 nan 8.150 nan 0.000 0.449 253 L N -0.560 120.809 121.223 0.244 0.000 2.201 253 L HA -0.065 4.275 4.340 0.000 0.000 0.212 253 L C 2.843 179.894 176.870 0.303 0.000 1.105 253 L CA 1.467 56.503 54.840 0.326 0.000 0.775 253 L CB -0.968 41.214 42.059 0.204 0.000 0.913 253 L HN 0.407 nan 8.230 nan 0.000 0.440 254 A N -0.774 122.155 122.820 0.181 0.000 2.024 254 A HA -0.272 4.048 4.320 0.000 0.000 0.220 254 A C 2.313 179.926 177.584 0.049 0.000 1.164 254 A CA 1.784 53.899 52.037 0.130 0.000 0.643 254 A CB -0.559 18.487 19.000 0.077 0.000 0.806 254 A HN 0.574 nan 8.150 nan 0.000 0.451 255 E N -1.627 118.530 120.200 -0.072 0.000 2.274 255 E HA -0.112 4.238 4.350 0.000 0.000 0.194 255 E C 0.888 177.206 176.600 -0.470 0.000 0.996 255 E CA 0.965 57.151 56.400 -0.357 0.000 0.840 255 E CB -0.113 29.208 29.700 -0.632 0.000 0.772 255 E HN 0.659 nan 8.360 nan 0.000 0.491 256 F N -1.294 118.746 119.950 0.150 0.000 2.724 256 F HA 0.229 4.756 4.527 0.000 0.000 0.306 256 F C -0.064 175.892 175.800 0.259 0.000 1.100 256 F CA -0.324 57.781 58.000 0.176 0.000 1.255 256 F CB 0.614 39.726 39.000 0.187 0.000 1.072 256 F HN -0.072 nan 8.300 nan 0.000 0.589 257 Y N 1.762 122.224 120.300 0.270 0.000 2.594 257 Y HA 0.402 4.952 4.550 0.000 0.000 0.338 257 Y C -2.273 173.724 175.900 0.161 0.000 1.019 257 Y CA -2.920 55.326 58.100 0.244 0.000 1.306 257 Y CB 1.144 39.818 38.460 0.356 0.000 1.094 257 Y HN -0.143 nan 8.280 nan 0.000 0.534 258 P HA 0.010 nan 4.420 nan 0.000 0.219 258 P C 0.728 177.952 177.300 -0.126 0.000 1.150 258 P CA 0.966 64.010 63.100 -0.092 0.000 0.814 258 P CB 0.318 31.955 31.700 -0.105 0.000 0.787 259 G N 1.484 110.065 108.800 -0.364 0.000 2.594 259 G HA2 0.237 4.197 3.960 0.000 0.000 0.243 259 G HA3 0.237 4.197 3.960 0.000 0.000 0.243 259 G C -2.357 172.637 174.900 0.156 0.000 1.229 259 G CA -0.902 44.083 45.100 -0.191 0.000 0.843 259 G HN 0.043 nan 8.290 nan 0.000 0.578 260 P HA 0.015 nan 4.420 nan 0.000 0.264 260 P C -0.269 177.291 177.300 0.434 0.000 1.183 260 P CA 0.691 63.936 63.100 0.241 0.000 0.763 260 P CB 0.676 32.486 31.700 0.182 0.000 0.807 261 M N 1.569 121.334 119.600 0.276 0.000 2.761 261 M HA 0.737 5.217 4.480 0.000 0.000 0.305 261 M C -0.266 176.041 176.300 0.012 0.000 1.235 261 M CA -0.856 54.557 55.300 0.190 0.000 0.850 261 M CB 2.685 35.347 32.600 0.103 0.000 1.744 261 M HN 0.357 nan 8.290 nan 0.000 0.480 262 A N 0.534 123.257 122.820 -0.163 0.000 2.587 262 A HA 0.912 5.232 4.320 0.000 0.000 0.293 262 A C -0.877 176.537 177.584 -0.284 0.000 1.087 262 A CA -0.536 51.301 52.037 -0.334 0.000 0.692 262 A CB 2.291 20.750 19.000 -0.902 0.000 1.291 262 A HN 0.771 nan 8.150 nan 0.000 0.407 263 T N -1.436 112.946 114.554 -0.287 0.000 2.686 263 T HA 0.589 4.939 4.350 0.000 0.000 0.308 263 T C 0.446 174.958 174.700 -0.313 0.000 1.667 263 T CA 0.960 62.915 62.100 -0.241 0.000 0.987 263 T CB 0.589 69.351 68.868 -0.177 0.000 1.652 263 T HN 2.637 nan 8.240 nan 0.000 0.496 264 G N 1.108 109.757 108.800 -0.251 0.000 2.336 264 G HA2 -0.184 3.776 3.960 0.000 0.000 0.194 264 G HA3 -0.184 3.776 3.960 0.000 0.000 0.194 264 G C 0.804 175.611 174.900 -0.156 0.000 0.999 264 G CA 1.240 46.171 45.100 -0.282 0.000 0.669 264 G HN 1.086 nan 8.290 nan 0.000 0.482 265 E N 0.516 120.616 120.200 -0.167 0.000 2.209 265 E HA -0.112 4.238 4.350 0.000 0.000 0.196 265 E C 1.329 177.773 176.600 -0.259 0.000 0.993 265 E CA 1.304 57.609 56.400 -0.159 0.000 0.819 265 E CB -0.240 29.301 29.700 -0.264 0.000 0.745 265 E HN 0.422 nan 8.360 nan 0.000 0.477 266 N N 0.518 118.998 118.700 -0.368 0.000 2.251 266 N HA 0.189 4.929 4.740 0.000 0.000 0.217 266 N C -0.597 174.245 175.510 -1.114 0.000 1.124 266 N CA 0.150 52.793 53.050 -0.678 0.000 0.843 266 N CB 0.648 38.939 38.487 -0.326 0.000 1.024 266 N HN 0.207 nan 8.380 nan 0.000 0.501 267 L N 0.674 121.437 121.223 -0.767 0.000 2.287 267 L HA 0.390 4.730 4.340 0.000 0.000 0.287 267 L C -0.214 176.339 176.870 -0.529 0.000 1.022 267 L CA -0.537 54.012 54.840 -0.485 0.000 0.814 267 L CB 0.660 42.707 42.059 -0.021 0.000 1.217 267 L HN -0.074 nan 8.230 nan 0.000 0.420 268 F N 0.852 120.862 119.950 0.101 0.000 2.772 268 F HA 0.233 4.760 4.527 0.000 0.000 0.302 268 F C 0.762 176.633 175.800 0.118 0.000 1.136 268 F CA -0.502 57.554 58.000 0.094 0.000 1.322 268 F CB 0.293 39.326 39.000 0.056 0.000 0.967 268 F HN 0.414 nan 8.300 nan 0.000 0.513 269 S N -2.509 113.241 115.700 0.083 0.000 2.565 269 S HA 0.267 4.737 4.470 0.000 0.000 0.269 269 S C 0.328 174.786 174.600 -0.236 0.000 1.153 269 S CA -0.600 57.550 58.200 -0.082 0.000 0.835 269 S CB 0.868 63.794 63.200 -0.455 0.000 1.122 269 S HN 0.348 nan 8.310 nan 0.000 0.462 270 H N 0.536 119.458 119.070 -0.246 0.000 2.457 270 H HA 0.093 4.649 4.556 0.000 0.000 0.294 270 H C 1.559 176.743 175.328 -0.241 0.000 1.064 270 H CA 1.768 57.635 56.048 -0.301 0.000 1.330 270 H CB -0.350 29.262 29.762 -0.250 0.000 1.395 270 H HN 0.563 nan 8.280 nan 0.000 0.541 271 Q N 0.719 120.071 119.800 -0.745 0.000 2.084 271 Q HA -0.111 4.229 4.340 0.000 0.000 0.202 271 Q C 1.738 177.618 176.000 -0.200 0.000 0.978 271 Q CA 1.665 57.218 55.803 -0.416 0.000 0.844 271 Q CB 0.035 28.600 28.738 -0.289 0.000 0.898 271 Q HN 0.579 nan 8.270 nan 0.000 0.426 272 D N -0.255 120.059 120.400 -0.144 0.000 2.144 272 D HA -0.069 4.571 4.640 0.000 0.000 0.200 272 D C 1.673 177.887 176.300 -0.144 0.000 0.978 272 D CA 1.214 55.189 54.000 -0.041 0.000 0.833 272 D CB -0.032 40.785 40.800 0.029 0.000 0.961 272 D HN 0.277 nan 8.370 nan 0.000 0.470 273 A N 1.121 123.744 122.820 -0.328 0.000 1.930 273 A HA -0.176 4.144 4.320 0.000 0.000 0.217 273 A C 2.183 179.537 177.584 -0.384 0.000 1.175 273 A CA 1.333 53.079 52.037 -0.484 0.000 0.627 273 A CB -0.457 17.920 19.000 -1.038 0.000 0.815 273 A HN 0.108 nan 8.150 nan 0.000 0.443 274 R N -0.215 120.077 120.500 -0.348 0.000 2.096 274 R HA -0.150 4.190 4.340 0.000 0.000 0.235 274 R C 1.655 177.666 176.300 -0.481 0.000 1.127 274 R CA 1.695 57.568 56.100 -0.378 0.000 0.968 274 R CB -0.281 29.899 30.300 -0.200 0.000 0.861 274 R HN 0.493 nan 8.270 nan 0.000 0.440 275 N N 0.845 119.311 118.700 -0.390 0.000 2.188 275 N HA -0.170 4.570 4.740 0.000 0.000 0.184 275 N C 1.647 176.596 175.510 -0.936 0.000 1.018 275 N CA 0.919 53.662 53.050 -0.512 0.000 0.858 275 N CB -0.260 38.084 38.487 -0.239 0.000 0.989 275 N HN 0.203 nan 8.380 nan 0.000 0.426 276 L N 1.082 121.845 121.223 -0.765 0.000 2.056 276 L HA 0.002 4.342 4.340 0.000 0.000 0.207 276 L C 1.891 178.486 176.870 -0.459 0.000 1.078 276 L CA 1.332 55.827 54.840 -0.575 0.000 0.749 276 L CB -0.502 41.486 42.059 -0.118 0.000 0.901 276 L HN 0.093 nan 8.230 nan 0.000 0.433 277 L N -1.090 119.813 121.223 -0.533 0.000 2.217 277 L HA -0.112 4.228 4.340 0.000 0.000 0.211 277 L C 2.680 179.251 176.870 -0.497 0.000 1.107 277 L CA 0.889 55.408 54.840 -0.535 0.000 0.783 277 L CB -0.452 41.151 42.059 -0.761 0.000 0.919 277 L HN 0.259 nan 8.230 nan 0.000 0.442 278 R N -1.017 119.049 120.500 -0.722 0.000 2.075 278 R HA -0.072 4.268 4.340 0.000 0.000 0.226 278 R C 1.580 177.419 176.300 -0.767 0.000 1.114 278 R CA 1.269 56.870 56.100 -0.832 0.000 0.972 278 R CB 0.052 29.535 30.300 -1.362 0.000 0.869 278 R HN 0.295 nan 8.270 nan 0.000 0.437 279 Y N -2.270 117.897 120.300 -0.222 0.000 2.426 279 Y HA 0.335 4.885 4.550 0.000 0.000 0.249 279 Y C 2.002 177.900 175.900 -0.002 0.000 1.103 279 Y CA -0.145 57.896 58.100 -0.097 0.000 1.256 279 Y CB -0.187 38.227 38.460 -0.076 0.000 1.208 279 Y HN 0.027 nan 8.280 nan 0.000 0.519 280 G N 0.194 109.026 108.800 0.053 0.000 2.509 280 G HA2 0.128 4.088 3.960 0.000 0.000 0.218 280 G HA3 0.128 4.088 3.960 0.000 0.000 0.218 280 G C 1.662 176.633 174.900 0.119 0.000 1.124 280 G CA 0.550 45.735 45.100 0.142 0.000 0.776 280 G HN 0.581 nan 8.290 nan 0.000 0.547 281 G N -0.190 108.668 108.800 0.097 0.000 2.225 281 G HA2 -0.324 3.636 3.960 0.000 0.000 0.267 281 G HA3 -0.324 3.636 3.960 0.000 0.000 0.267 281 G C 0.430 175.398 174.900 0.113 0.000 1.024 281 G CA 0.591 45.751 45.100 0.100 0.000 0.784 281 G HN 0.468 nan 8.290 nan 0.000 0.507 282 M N -0.963 118.731 119.600 0.157 0.000 2.241 282 M HA 0.447 4.927 4.480 0.000 0.000 0.335 282 M C 0.794 177.211 176.300 0.195 0.000 1.122 282 M CA -0.238 55.185 55.300 0.205 0.000 1.164 282 M CB 0.672 33.434 32.600 0.271 0.000 1.459 282 M HN 0.047 nan 8.290 nan 0.000 0.461 283 R N 2.718 123.260 120.500 0.070 0.000 2.205 283 R HA 0.217 4.558 4.340 0.000 0.000 0.342 283 R C -1.735 174.330 176.300 -0.392 0.000 1.058 283 R CA -1.649 54.380 56.100 -0.117 0.000 0.904 283 R CB -0.186 30.052 30.300 -0.104 0.000 1.089 283 R HN 0.369 nan 8.270 nan 0.000 0.471 284 P HA -0.168 nan 4.420 nan 0.000 0.228 284 P C -0.129 176.642 177.300 -0.883 0.000 1.151 284 P CA 1.036 63.152 63.100 -1.639 0.000 0.770 284 P CB 0.415 31.015 31.700 -1.834 0.000 0.786 285 D N 0.206 120.280 120.400 -0.543 0.000 2.348 285 D HA -0.102 4.538 4.640 0.000 0.000 0.211 285 D C 1.639 177.710 176.300 -0.382 0.000 0.998 285 D CA 0.573 54.340 54.000 -0.390 0.000 0.873 285 D CB -0.375 40.263 40.800 -0.270 0.000 0.925 285 D HN 0.359 nan 8.370 nan 0.000 0.524 286 R N -1.241 119.010 120.500 -0.415 0.000 2.580 286 R HA 0.225 4.565 4.340 0.000 0.000 0.285 286 R C -0.450 175.501 176.300 -0.582 0.000 0.947 286 R CA -0.499 55.336 56.100 -0.443 0.000 1.102 286 R CB 0.095 30.247 30.300 -0.247 0.000 1.696 286 R HN -0.148 nan 8.270 nan 0.000 0.506 287 D N 0.811 120.954 120.400 -0.429 0.000 2.423 287 D HA 0.230 4.870 4.640 0.000 0.000 0.255 287 D C -0.784 175.217 176.300 -0.498 0.000 1.174 287 D CA 0.195 54.003 54.000 -0.320 0.000 1.008 287 D CB 0.637 41.445 40.800 0.013 0.000 1.101 287 D HN 0.046 nan 8.370 nan 0.000 0.516 288 W N -0.017 121.210 121.300 -0.121 0.000 2.785 288 W HA 0.483 5.143 4.660 0.000 0.000 0.333 288 W C -0.631 175.690 176.519 -0.329 0.000 1.062 288 W CA -0.732 56.484 57.345 -0.215 0.000 1.233 288 W CB 0.883 30.065 29.460 -0.463 0.000 1.413 288 W HN -0.080 nan 8.180 nan 0.000 0.489 289 L N 2.923 124.078 121.223 -0.113 0.000 2.272 289 L HA 0.359 4.699 4.340 0.000 0.000 0.289 289 L C 0.505 177.090 176.870 -0.475 0.000 1.032 289 L CA -0.587 53.935 54.840 -0.531 0.000 0.810 289 L CB 1.161 42.817 42.059 -0.672 0.000 1.205 289 L HN 0.548 nan 8.230 nan 0.000 0.422 290 Q N 2.777 122.239 119.800 -0.563 0.000 2.225 290 Q HA 0.255 4.595 4.340 0.000 0.000 0.259 290 Q C -0.781 175.155 176.000 -0.106 0.000 0.872 290 Q CA -0.450 55.210 55.803 -0.238 0.000 1.042 290 Q CB 0.202 28.862 28.738 -0.129 0.000 1.142 290 Q HN 0.423 nan 8.270 nan 0.000 0.463 291 F N 1.475 121.487 119.950 0.104 0.000 2.602 291 F HA -0.014 4.513 4.527 0.000 0.000 0.367 291 F C 0.852 176.829 175.800 0.295 0.000 1.126 291 F CA -0.404 57.690 58.000 0.156 0.000 1.321 291 F CB 0.184 39.263 39.000 0.131 0.000 1.094 291 F HN -0.009 nan 8.300 nan 0.000 0.594 292 D N 2.166 122.856 120.400 0.483 0.000 2.440 292 D HA 0.183 4.823 4.640 0.000 0.000 0.239 292 D C 0.795 177.326 176.300 0.386 0.000 1.084 292 D CA -0.747 53.502 54.000 0.414 0.000 0.843 292 D CB 1.048 42.138 40.800 0.483 0.000 1.097 292 D HN 0.643 nan 8.370 nan 0.000 0.531 293 C N 3.259 122.722 119.300 0.271 0.000 2.411 293 C HA 0.036 4.496 4.460 0.000 0.000 0.279 293 C C 2.456 177.541 174.990 0.159 0.000 1.288 293 C CA 0.869 60.017 59.018 0.217 0.000 1.764 293 C CB -1.337 26.396 27.740 -0.012 0.000 1.974 293 C HN 0.605 nan 8.230 nan 0.000 0.498 294 A N 1.013 123.913 122.820 0.133 0.000 2.019 294 A HA 0.112 4.432 4.320 0.000 0.000 0.219 294 A C 2.162 179.749 177.584 0.005 0.000 1.164 294 A CA 1.716 53.743 52.037 -0.017 0.000 0.644 294 A CB -0.535 18.338 19.000 -0.211 0.000 0.805 294 A HN 0.756 nan 8.150 nan 0.000 0.449 295 L N -0.997 120.280 121.223 0.090 0.000 2.640 295 L HA 0.164 4.504 4.340 0.000 0.000 0.230 295 L C 0.289 177.128 176.870 -0.052 0.000 1.123 295 L CA 0.084 54.890 54.840 -0.058 0.000 0.900 295 L CB 0.476 42.534 42.059 -0.001 0.000 1.146 295 L HN 0.136 nan 8.230 nan 0.000 0.484 296 S N -0.754 115.031 115.700 0.141 0.000 2.384 296 S HA 0.283 4.753 4.470 0.000 0.000 0.227 296 S C -0.417 174.369 174.600 0.310 0.000 1.257 296 S CA -0.486 57.849 58.200 0.224 0.000 1.249 296 S CB -0.068 63.360 63.200 0.381 0.000 1.018 296 S HN 0.348 nan 8.310 nan 0.000 0.478 297 Y N 0.297 120.707 120.300 0.184 0.000 4.668 297 Y HA -0.255 4.295 4.550 0.000 0.000 0.234 297 Y C 1.170 177.321 175.900 0.418 0.000 1.056 297 Y CA 0.956 59.243 58.100 0.311 0.000 2.025 297 Y CB -2.079 36.673 38.460 0.486 0.000 1.613 297 Y HN 0.854 nan 8.280 nan 0.000 0.653 298 G N -0.451 108.554 108.800 0.342 0.000 2.741 298 G HA2 -0.141 3.819 3.960 0.000 0.000 0.222 298 G HA3 -0.141 3.819 3.960 0.000 0.000 0.222 298 G C 0.291 175.317 174.900 0.209 0.000 1.364 298 G CA -0.234 45.032 45.100 0.277 0.000 0.866 298 G HN 0.786 nan 8.290 nan 0.000 0.555 299 L N 0.004 121.279 121.223 0.086 0.000 2.141 299 L HA 0.051 4.391 4.340 0.000 0.000 0.209 299 L C 2.989 179.870 176.870 0.018 0.000 1.094 299 L CA 2.946 57.725 54.840 -0.102 0.000 0.763 299 L CB -0.881 40.754 42.059 -0.706 0.000 0.908 299 L HN 0.755 nan 8.230 nan 0.000 0.437 300 C N -0.341 119.052 119.300 0.155 0.000 2.425 300 C HA -0.120 4.340 4.460 0.000 0.000 0.277 300 C C 2.697 177.484 174.990 -0.338 0.000 1.280 300 C CA 1.043 60.021 59.018 -0.067 0.000 1.744 300 C CB -0.786 26.734 27.740 -0.367 0.000 1.989 300 C HN 0.671 nan 8.230 nan 0.000 0.491 301 E N -0.306 119.735 120.200 -0.265 0.000 2.086 301 E HA -0.138 4.212 4.350 0.000 0.000 0.190 301 E C 1.867 178.441 176.600 -0.043 0.000 0.975 301 E CA 0.979 57.269 56.400 -0.182 0.000 0.813 301 E CB -0.600 29.178 29.700 0.129 0.000 0.768 301 E HN 0.665 nan 8.360 nan 0.000 0.457 302 Y N 1.388 121.654 120.300 -0.056 0.000 2.256 302 Y HA -0.249 4.301 4.550 0.000 0.000 0.288 302 Y C 2.038 177.896 175.900 -0.070 0.000 1.155 302 Y CA 2.202 60.278 58.100 -0.041 0.000 1.203 302 Y CB 0.020 38.468 38.460 -0.020 0.000 0.980 302 Y HN 0.166 nan 8.280 nan 0.000 0.530 303 Q N -0.614 119.204 119.800 0.031 0.000 2.124 303 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 303 Q C 2.301 178.233 176.000 -0.114 0.000 0.977 303 Q CA 1.452 57.254 55.803 -0.001 0.000 0.850 303 Q CB -0.167 28.601 28.738 0.050 0.000 0.901 303 Q HN 0.494 nan 8.270 nan 0.000 0.429 304 R N -0.295 120.081 120.500 -0.207 0.000 2.092 304 R HA -0.058 4.282 4.340 0.000 0.000 0.231 304 R C 2.301 178.434 176.300 -0.278 0.000 1.119 304 R CA 1.490 57.400 56.100 -0.317 0.000 0.970 304 R CB -0.178 29.788 30.300 -0.557 0.000 0.864 304 R HN 0.187 nan 8.270 nan 0.000 0.440 305 T N 1.619 116.009 114.554 -0.273 0.000 2.746 305 T HA -0.087 4.263 4.350 0.000 0.000 0.267 305 T C 1.827 176.347 174.700 -0.301 0.000 1.039 305 T CA 0.960 62.859 62.100 -0.335 0.000 1.142 305 T CB -0.103 68.439 68.868 -0.543 0.000 0.866 305 T HN 0.135 nan 8.240 nan 0.000 0.444 306 L N 0.673 121.719 121.223 -0.295 0.000 2.083 306 L HA -0.105 4.235 4.340 0.000 0.000 0.209 306 L C 2.790 179.616 176.870 -0.074 0.000 1.083 306 L CA 1.152 55.894 54.840 -0.162 0.000 0.752 306 L CB -0.399 41.607 42.059 -0.089 0.000 0.899 306 L HN 0.201 nan 8.230 nan 0.000 0.433 307 E N 0.029 120.177 120.200 -0.087 0.000 2.110 307 E HA -0.158 4.192 4.350 0.000 0.000 0.193 307 E C 2.108 178.687 176.600 -0.036 0.000 0.988 307 E CA 1.060 57.426 56.400 -0.057 0.000 0.804 307 E CB -0.144 29.500 29.700 -0.093 0.000 0.745 307 E HN 0.192 nan 8.360 nan 0.000 0.458 308 V N 0.796 120.677 119.914 -0.055 0.000 2.343 308 V HA -0.254 3.866 4.120 0.000 0.000 0.247 308 V C 2.419 178.564 176.094 0.085 0.000 1.051 308 V CA 1.510 63.820 62.300 0.017 0.000 1.036 308 V CB -0.482 31.306 31.823 -0.058 0.000 0.654 308 V HN 0.333 nan 8.190 nan 0.000 0.451 309 L N -0.259 120.969 121.223 0.009 0.000 2.042 309 L HA -0.255 4.085 4.340 0.000 0.000 0.210 309 L C 2.554 179.528 176.870 0.174 0.000 1.076 309 L CA 2.124 57.014 54.840 0.085 0.000 0.749 309 L CB -0.845 41.264 42.059 0.085 0.000 0.893 309 L HN 0.363 nan 8.230 nan 0.000 0.432 310 K N -0.134 120.323 120.400 0.094 0.000 2.063 310 K HA -0.160 4.160 4.320 0.000 0.000 0.208 310 K C 1.937 178.561 176.600 0.041 0.000 1.048 310 K CA 1.852 58.180 56.287 0.068 0.000 0.928 310 K CB 0.012 32.532 32.500 0.033 0.000 0.713 310 K HN 0.208 nan 8.250 nan 0.000 0.442 311 T N -0.086 114.477 114.554 0.015 0.000 2.962 311 T HA -0.081 4.269 4.350 0.000 0.000 0.270 311 T C 0.883 175.433 174.700 -0.251 0.000 1.088 311 T CA 0.886 62.923 62.100 -0.104 0.000 1.127 311 T CB -0.131 68.663 68.868 -0.123 0.000 0.883 311 T HN 0.333 nan 8.240 nan 0.000 0.493 312 H N -0.564 118.542 119.070 0.060 0.000 2.592 312 H HA 0.359 4.915 4.556 0.000 0.000 0.279 312 H C 1.710 177.161 175.328 0.205 0.000 1.089 312 H CA 0.333 56.453 56.048 0.120 0.000 1.150 312 H CB 0.497 30.331 29.762 0.121 0.000 1.575 312 H HN 0.463 nan 8.280 nan 0.000 0.547 313 G N 0.955 109.867 108.800 0.187 0.000 2.143 313 G HA2 -0.256 3.704 3.960 0.000 0.000 0.248 313 G HA3 -0.256 3.704 3.960 0.000 0.000 0.248 313 G C -0.446 174.493 174.900 0.065 0.000 0.991 313 G CA -0.036 45.118 45.100 0.089 0.000 0.689 313 G HN 0.259 nan 8.290 nan 0.000 0.522 314 W N 0.635 121.938 121.300 0.004 0.000 2.438 314 W HA 0.688 5.348 4.660 0.000 0.000 0.324 314 W C 0.777 177.288 176.519 -0.012 0.000 1.119 314 W CA -0.178 57.158 57.345 -0.014 0.000 1.221 314 W CB 1.533 30.990 29.460 -0.005 0.000 1.253 314 W HN 0.228 nan 8.180 nan 0.000 0.555 315 S N 3.095 118.892 115.700 0.162 0.000 2.562 315 S HA 0.270 4.740 4.470 0.000 0.000 0.275 315 S C -1.528 173.173 174.600 0.168 0.000 1.281 315 S CA -1.296 56.971 58.200 0.113 0.000 1.045 315 S CB 1.041 64.261 63.200 0.033 0.000 0.962 315 S HN 0.230 nan 8.310 nan 0.000 0.503 316 P HA -0.046 nan 4.420 nan 0.000 0.225 316 P C 1.213 178.620 177.300 0.178 0.000 1.148 316 P CA 0.775 63.967 63.100 0.152 0.000 0.779 316 P CB -0.038 31.732 31.700 0.117 0.000 0.780 317 S N -1.306 114.486 115.700 0.153 0.000 2.603 317 S HA -0.016 4.454 4.470 0.000 0.000 0.229 317 S C 1.654 176.396 174.600 0.237 0.000 0.972 317 S CA 0.385 58.692 58.200 0.179 0.000 0.935 317 S CB -0.633 62.640 63.200 0.121 0.000 0.769 317 S HN 0.026 nan 8.310 nan 0.000 0.536 318 R N 0.158 120.783 120.500 0.209 0.000 2.317 318 R HA 0.274 4.614 4.340 0.000 0.000 0.208 318 R C -0.188 176.325 176.300 0.356 0.000 0.914 318 R CA -0.024 56.194 56.100 0.198 0.000 1.060 318 R CB -0.754 29.698 30.300 0.255 0.000 1.015 318 R HN 0.414 nan 8.270 nan 0.000 0.498 319 C N 1.547 121.044 119.300 0.328 0.000 2.347 319 C HA 0.532 4.992 4.460 0.000 0.000 0.353 319 C C 0.676 175.856 174.990 0.316 0.000 1.273 319 C CA -0.606 58.584 59.018 0.288 0.000 1.861 319 C CB 0.098 28.019 27.740 0.302 0.000 2.420 319 C HN 0.266 nan 8.230 nan 0.000 0.542 320 I N 4.821 125.537 120.570 0.244 0.000 2.641 320 I HA 0.223 4.394 4.170 0.000 0.000 0.275 320 I C -2.413 173.803 176.117 0.165 0.000 1.129 320 I CA -1.471 59.961 61.300 0.221 0.000 1.094 320 I CB 1.191 39.315 38.000 0.207 0.000 1.232 320 I HN 0.331 nan 8.210 nan 0.000 0.503 321 P HA -0.082 nan 4.420 nan 0.000 0.266 321 P C -0.434 176.924 177.300 0.097 0.000 1.193 321 P CA 0.451 63.620 63.100 0.116 0.000 0.770 321 P CB 0.314 32.019 31.700 0.007 0.000 0.836 322 H N 1.597 120.703 119.070 0.061 0.000 2.508 322 H HA 0.399 4.955 4.556 0.000 0.000 0.358 322 H C 1.226 176.573 175.328 0.031 0.000 1.212 322 H CA 0.588 56.684 56.048 0.080 0.000 1.356 322 H CB 0.736 30.587 29.762 0.148 0.000 1.525 322 H HN 0.690 nan 8.280 nan 0.000 0.578 323 G N 0.739 109.045 108.800 -0.823 0.000 2.391 323 G HA2 -0.230 3.730 3.960 0.000 0.000 0.204 323 G HA3 -0.230 3.730 3.960 0.000 0.000 0.204 323 G C 1.071 175.871 174.900 -0.165 0.000 1.012 323 G CA 0.415 45.317 45.100 -0.329 0.000 0.651 323 G HN 1.620 nan 8.290 nan 0.000 0.494 324 G N 0.287 108.806 108.800 -0.469 0.000 2.305 324 G HA2 0.059 4.019 3.960 0.000 0.000 0.287 324 G HA3 0.059 4.019 3.960 0.000 0.000 0.287 324 G C 0.140 174.966 174.900 -0.124 0.000 1.036 324 G CA 1.678 46.515 45.100 -0.438 0.000 0.887 324 G HN 2.383 nan 8.290 nan 0.000 0.505 325 H N -4.008 115.061 119.070 -0.002 0.000 2.651 325 H HA 0.758 5.314 4.556 0.000 0.000 0.353 325 H C 1.107 176.457 175.328 0.037 0.000 1.178 325 H CA -0.850 55.258 56.048 0.099 0.000 1.224 325 H CB 0.722 30.482 29.762 -0.004 0.000 1.702 325 H HN 0.006 nan 8.280 nan 0.000 0.550 326 Q N 0.378 120.361 119.800 0.306 0.000 2.224 326 Q HA -0.075 4.265 4.340 0.000 0.000 0.203 326 Q C 1.873 177.908 176.000 0.058 0.000 0.970 326 Q CA 1.462 57.342 55.803 0.128 0.000 0.865 326 Q CB -0.172 28.593 28.738 0.045 0.000 0.922 326 Q HN 0.754 nan 8.270 nan 0.000 0.445 327 M N -0.155 119.557 119.600 0.187 0.000 2.080 327 M HA -0.164 4.316 4.480 0.000 0.000 0.260 327 M C 1.796 178.120 176.300 0.040 0.000 1.068 327 M CA 1.718 57.066 55.300 0.080 0.000 1.109 327 M CB -0.358 32.267 32.600 0.042 0.000 1.342 327 M HN 0.050 nan 8.290 nan 0.000 0.405 328 S N 0.447 116.180 115.700 0.055 0.000 2.368 328 S HA -0.107 4.363 4.470 0.000 0.000 0.225 328 S C 1.865 176.400 174.600 -0.108 0.000 1.030 328 S CA 1.582 59.693 58.200 -0.148 0.000 0.999 328 S CB -0.657 62.331 63.200 -0.354 0.000 0.844 328 S HN 0.557 nan 8.310 nan 0.000 0.459 329 L N 1.800 122.983 121.223 -0.066 0.000 2.043 329 L HA -0.199 4.141 4.340 0.000 0.000 0.212 329 L C 2.414 179.248 176.870 -0.059 0.000 1.075 329 L CA 1.128 55.944 54.840 -0.040 0.000 0.752 329 L CB -0.663 41.408 42.059 0.019 0.000 0.891 329 L HN 0.360 nan 8.230 nan 0.000 0.432 330 N N 0.198 118.882 118.700 -0.027 0.000 2.106 330 N HA -0.138 4.602 4.740 0.000 0.000 0.188 330 N C 1.937 177.447 175.510 0.002 0.000 1.029 330 N CA 1.482 54.555 53.050 0.039 0.000 0.848 330 N CB -0.092 38.430 38.487 0.059 0.000 1.007 330 N HN 0.341 nan 8.380 nan 0.000 0.423 331 I N 1.354 121.872 120.570 -0.086 0.000 2.226 331 I HA -0.221 3.949 4.170 0.000 0.000 0.245 331 I C 2.490 178.566 176.117 -0.068 0.000 1.100 331 I CA 0.801 62.022 61.300 -0.131 0.000 1.374 331 I CB -0.335 37.505 38.000 -0.266 0.000 1.057 331 I HN 0.052 nan 8.210 nan 0.000 0.413 332 A N 0.939 123.727 122.820 -0.054 0.000 1.877 332 A HA -0.168 4.152 4.320 0.000 0.000 0.216 332 A C 2.565 180.142 177.584 -0.011 0.000 1.186 332 A CA 1.978 54.012 52.037 -0.004 0.000 0.620 332 A CB -0.899 18.107 19.000 0.009 0.000 0.822 332 A HN 0.424 nan 8.150 nan 0.000 0.443 333 A N -0.783 121.996 122.820 -0.068 0.000 1.930 333 A HA 0.157 4.477 4.320 0.000 0.000 0.217 333 A C 2.348 179.933 177.584 0.001 0.000 1.175 333 A CA 1.935 53.896 52.037 -0.128 0.000 0.627 333 A CB -1.180 17.546 19.000 -0.457 0.000 0.815 333 A HN 0.700 nan 8.150 nan 0.000 0.443 334 G N -0.707 108.137 108.800 0.072 0.000 2.396 334 G HA2 0.066 4.026 3.960 0.000 0.000 0.214 334 G HA3 0.066 4.026 3.960 0.000 0.000 0.214 334 G C 1.302 176.206 174.900 0.007 0.000 1.166 334 G CA 0.771 45.935 45.100 0.106 0.000 0.793 334 G HN 0.408 nan 8.290 nan 0.000 0.533 335 L N 0.344 121.541 121.223 -0.044 0.000 2.640 335 L HA 0.328 4.668 4.340 0.000 0.000 0.230 335 L C 1.570 178.441 176.870 0.001 0.000 1.123 335 L CA 0.287 55.077 54.840 -0.084 0.000 0.900 335 L CB 0.198 42.166 42.059 -0.152 0.000 1.146 335 L HN 0.327 nan 8.230 nan 0.000 0.484 336 G N 1.300 110.120 108.800 0.033 0.000 2.248 336 G HA2 -0.237 3.724 3.960 0.000 0.000 0.263 336 G HA3 -0.237 3.724 3.960 0.000 0.000 0.263 336 G C 0.089 175.051 174.900 0.104 0.000 1.082 336 G CA -0.189 44.950 45.100 0.065 0.000 0.863 336 G HN 0.202 nan 8.290 nan 0.000 0.495 337 L N -0.793 120.500 121.223 0.117 0.000 2.476 337 L HA 0.504 4.844 4.340 0.000 0.000 0.255 337 L C 2.085 179.080 176.870 0.208 0.000 1.218 337 L CA 0.069 55.014 54.840 0.175 0.000 0.819 337 L CB 0.263 42.426 42.059 0.174 0.000 1.119 337 L HN 0.200 nan 8.230 nan 0.000 0.485 338 G N -0.775 108.196 108.800 0.286 0.000 2.534 338 G HA2 0.358 4.318 3.960 0.000 0.000 0.217 338 G HA3 0.358 4.318 3.960 0.000 0.000 0.217 338 G C 0.540 175.653 174.900 0.355 0.000 1.128 338 G CA 0.732 46.047 45.100 0.358 0.000 0.784 338 G HN 0.954 nan 8.290 nan 0.000 0.542 339 G N -1.120 107.874 108.800 0.323 0.000 2.368 339 G HA2 0.276 4.236 3.960 0.000 0.000 0.269 339 G HA3 0.276 4.236 3.960 0.000 0.000 0.269 339 G C -1.796 173.219 174.900 0.192 0.000 1.291 339 G CA -0.293 45.016 45.100 0.348 0.000 0.903 339 G HN 0.432 nan 8.290 nan 0.000 0.483 340 N N -0.676 118.077 118.700 0.088 0.000 2.494 340 N HA 0.415 5.155 4.740 0.000 0.000 0.270 340 N C -1.059 174.328 175.510 -0.205 0.000 1.285 340 N CA -0.542 52.487 53.050 -0.035 0.000 0.812 340 N CB 2.597 41.027 38.487 -0.095 0.000 1.557 340 N HN 0.633 nan 8.380 nan 0.000 0.487 341 E N 0.575 120.561 120.200 -0.357 0.000 2.349 341 E HA 0.316 4.666 4.350 0.000 0.000 0.262 341 E C -1.354 174.726 176.600 -0.866 0.000 1.088 341 E CA -0.276 55.566 56.400 -0.929 0.000 0.899 341 E CB 1.213 30.499 29.700 -0.690 0.000 1.044 341 E HN 0.348 nan 8.360 nan 0.000 0.420 342 S N 2.166 117.218 115.700 -1.079 0.000 2.548 342 S HA 0.408 4.878 4.470 0.000 0.000 0.276 342 S C -1.924 172.186 174.600 -0.816 0.000 1.129 342 S CA -0.631 57.114 58.200 -0.758 0.000 0.931 342 S CB 0.488 63.496 63.200 -0.320 0.000 1.068 342 S HN 0.444 nan 8.310 nan 0.000 0.480 343 Y N 4.314 124.465 120.300 -0.249 0.000 2.712 343 Y HA 0.382 4.932 4.550 0.000 0.000 0.328 343 Y C -2.025 173.787 175.900 -0.146 0.000 0.995 343 Y CA -2.039 55.955 58.100 -0.176 0.000 1.283 343 Y CB 0.948 39.432 38.460 0.040 0.000 1.092 343 Y HN 0.488 nan 8.280 nan 0.000 0.519 344 P HA -0.120 nan 4.420 nan 0.000 0.215 344 P C 0.576 177.929 177.300 0.088 0.000 1.157 344 P CA 1.693 64.849 63.100 0.094 0.000 0.863 344 P CB 0.521 32.358 31.700 0.227 0.000 0.787 345 D N -1.699 118.755 120.400 0.090 0.000 2.369 345 D HA 0.163 4.803 4.640 0.000 0.000 0.211 345 D C 0.515 176.702 176.300 -0.188 0.000 1.077 345 D CA 0.321 54.304 54.000 -0.028 0.000 0.842 345 D CB 0.457 41.244 40.800 -0.023 0.000 0.947 345 D HN 0.210 nan 8.370 nan 0.000 0.509 346 L N -0.681 120.376 121.223 -0.277 0.000 2.333 346 L HA 0.340 4.680 4.340 0.000 0.000 0.269 346 L C 0.356 176.858 176.870 -0.613 0.000 1.010 346 L CA -0.974 53.406 54.840 -0.767 0.000 0.818 346 L CB 1.265 42.476 42.059 -1.414 0.000 1.306 346 L HN -0.121 nan 8.230 nan 0.000 0.430 347 F N -1.512 118.345 119.950 -0.155 0.000 3.030 347 F HA -0.289 4.238 4.527 0.000 0.000 0.302 347 F C 1.030 176.851 175.800 0.036 0.000 0.749 347 F CA 0.206 58.160 58.000 -0.076 0.000 1.040 347 F CB -1.487 37.446 39.000 -0.112 0.000 1.383 347 F HN 0.564 nan 8.300 nan 0.000 0.368 348 Q N 2.222 122.059 119.800 0.061 0.000 2.432 348 Q HA 0.022 4.362 4.340 0.000 0.000 0.264 348 Q C -0.826 175.196 176.000 0.036 0.000 1.035 348 Q CA -0.440 55.381 55.803 0.029 0.000 0.908 348 Q CB 0.244 28.963 28.738 -0.032 0.000 1.280 348 Q HN 0.088 nan 8.270 nan 0.000 0.455 349 P HA -0.065 nan 4.420 nan 0.000 0.241 349 P C -0.507 176.530 177.300 -0.438 0.000 1.191 349 P CA 0.579 63.489 63.100 -0.317 0.000 0.771 349 P CB 0.175 31.614 31.700 -0.435 0.000 0.929 350 Y N 1.342 121.471 120.300 -0.285 0.000 2.573 350 Y HA 0.473 5.023 4.550 0.000 0.000 0.346 350 Y C 1.740 177.570 175.900 -0.116 0.000 1.198 350 Y CA 0.950 58.695 58.100 -0.592 0.000 1.627 350 Y CB -0.429 37.422 38.460 -1.016 0.000 1.457 350 Y HN 0.142 nan 8.280 nan 0.000 0.483 351 G N -0.192 108.711 108.800 0.172 0.000 2.366 351 G HA2 0.403 4.363 3.960 0.000 0.000 0.190 351 G HA3 0.403 4.363 3.960 0.000 0.000 0.190 351 G C 0.016 174.902 174.900 -0.023 0.000 1.299 351 G CA 0.019 45.258 45.100 0.232 0.000 1.056 351 G HN 1.093 nan 8.290 nan 0.000 0.468 352 G N -1.022 107.597 108.800 -0.301 0.000 2.668 352 G HA2 0.252 4.212 3.960 0.000 0.000 0.266 352 G HA3 0.252 4.212 3.960 0.000 0.000 0.266 352 G C -0.108 174.318 174.900 -0.789 0.000 1.328 352 G CA 0.656 45.343 45.100 -0.688 0.000 0.911 352 G HN 1.539 nan 8.290 nan 0.000 0.567 353 F N 0.722 120.713 119.950 0.069 0.000 2.594 353 F HA 0.666 5.193 4.527 0.000 0.000 0.335 353 F C -1.561 174.276 175.800 0.061 0.000 1.058 353 F CA -1.859 56.173 58.000 0.052 0.000 0.981 353 F CB 1.342 40.343 39.000 0.002 0.000 1.289 353 F HN 0.420 nan 8.300 nan 0.000 0.490 354 P HA -0.004 nan 4.420 nan 0.000 0.271 354 P C -0.743 176.634 177.300 0.129 0.000 1.216 354 P CA -0.141 63.053 63.100 0.157 0.000 0.776 354 P CB 0.578 32.353 31.700 0.125 0.000 0.881 355 D N 1.730 122.186 120.400 0.094 0.000 2.648 355 D HA 0.042 4.682 4.640 0.000 0.000 0.229 355 D C 1.564 177.897 176.300 0.055 0.000 1.119 355 D CA 2.118 56.160 54.000 0.069 0.000 0.850 355 D CB 0.152 40.982 40.800 0.050 0.000 1.169 355 D HN 0.746 nan 8.370 nan 0.000 0.489 356 G N 1.325 110.152 108.800 0.045 0.000 2.475 356 G HA2 -0.284 3.676 3.960 0.000 0.000 0.209 356 G HA3 -0.284 3.676 3.960 0.000 0.000 0.209 356 G C 0.396 175.301 174.900 0.008 0.000 1.127 356 G CA 0.033 45.147 45.100 0.024 0.000 0.681 356 G HN 0.683 nan 8.290 nan 0.000 0.517 357 V N 4.173 124.095 119.914 0.014 0.000 2.655 357 V HA 0.630 4.750 4.120 0.000 0.000 0.300 357 V C 0.703 176.746 176.094 -0.085 0.000 1.044 357 V CA 0.780 63.053 62.300 -0.045 0.000 1.095 357 V CB 0.722 32.508 31.823 -0.061 0.000 0.952 357 V HN 0.935 nan 8.190 nan 0.000 0.485 358 R N 4.443 124.850 120.500 -0.156 0.000 2.854 358 R HA 0.765 5.105 4.340 0.000 0.000 0.271 358 R C -1.622 174.483 176.300 -0.325 0.000 0.994 358 R CA -0.974 55.010 56.100 -0.193 0.000 0.945 358 R CB 1.801 32.030 30.300 -0.118 0.000 1.194 358 R HN 0.425 nan 8.270 nan 0.000 0.476 359 V N 1.802 121.478 119.914 -0.397 0.000 2.461 359 V HA 0.190 4.310 4.120 0.000 0.000 0.275 359 V C -0.091 175.826 176.094 -0.295 0.000 1.047 359 V CA -0.063 61.942 62.300 -0.493 0.000 0.955 359 V CB 0.906 32.222 31.823 -0.844 0.000 0.988 359 V HN 0.734 nan 8.190 nan 0.000 0.471 360 E N 4.923 125.003 120.200 -0.200 0.000 2.235 360 E HA 0.335 4.686 4.350 0.000 0.000 0.252 360 E C -0.538 176.045 176.600 -0.028 0.000 0.886 360 E CA -0.599 55.738 56.400 -0.105 0.000 0.767 360 E CB 0.936 30.584 29.700 -0.087 0.000 1.205 360 E HN 0.710 nan 8.360 nan 0.000 0.421 361 N N 2.205 120.897 118.700 -0.012 0.000 2.708 361 N HA -0.208 4.532 4.740 0.000 0.000 0.255 361 N C 0.630 176.257 175.510 0.195 0.000 1.046 361 N CA 1.040 54.130 53.050 0.066 0.000 0.715 361 N CB -0.910 37.612 38.487 0.058 0.000 0.895 361 N HN 1.064 nan 8.380 nan 0.000 0.545 362 G N -0.683 108.147 108.800 0.051 0.000 2.187 362 G HA2 -0.334 3.626 3.960 0.000 0.000 0.261 362 G HA3 -0.334 3.626 3.960 0.000 0.000 0.261 362 G C -0.118 174.650 174.900 -0.219 0.000 1.000 362 G CA 1.308 46.389 45.100 -0.031 0.000 0.718 362 G HN 0.833 nan 8.290 nan 0.000 0.519 363 H N -1.101 117.894 119.070 -0.125 0.000 2.928 363 H HA 0.728 5.284 4.556 0.000 0.000 0.371 363 H C 0.183 175.349 175.328 -0.269 0.000 1.186 363 H CA -0.261 55.707 56.048 -0.134 0.000 1.134 363 H CB 1.660 31.403 29.762 -0.031 0.000 1.824 363 H HN 0.607 nan 8.280 nan 0.000 0.554 364 I N -2.116 118.349 120.570 -0.175 0.000 3.042 364 I HA 0.720 4.890 4.170 0.000 0.000 0.310 364 I C -0.805 175.202 176.117 -0.182 0.000 1.117 364 I CA -0.538 60.573 61.300 -0.314 0.000 1.003 364 I CB 2.416 40.020 38.000 -0.661 0.000 1.228 364 I HN 0.442 nan 8.210 nan 0.000 0.443 365 T N 4.868 119.318 114.554 -0.174 0.000 2.809 365 T HA 0.472 4.822 4.350 0.000 0.000 0.284 365 T C -0.118 174.506 174.700 -0.126 0.000 0.992 365 T CA -0.464 61.561 62.100 -0.126 0.000 0.957 365 T CB 0.921 69.738 68.868 -0.085 0.000 0.942 365 T HN 0.464 nan 8.240 nan 0.000 0.439 366 M N 5.957 125.451 119.600 -0.177 0.000 2.356 366 M HA 0.175 4.655 4.480 0.000 0.000 0.348 366 M C -1.966 174.333 176.300 -0.003 0.000 1.595 366 M CA -2.187 53.014 55.300 -0.165 0.000 1.095 366 M CB -0.406 31.878 32.600 -0.526 0.000 1.963 366 M HN 0.315 nan 8.290 nan 0.000 0.459 367 P HA 0.113 nan 4.420 nan 0.000 0.274 367 P C -0.631 176.786 177.300 0.195 0.000 1.231 367 P CA -0.262 62.899 63.100 0.101 0.000 0.790 367 P CB 0.955 32.695 31.700 0.066 0.000 0.951 368 D N 2.210 122.703 120.400 0.156 0.000 2.688 368 D HA 0.169 4.809 4.640 0.000 0.000 0.228 368 D C 0.194 176.527 176.300 0.054 0.000 1.116 368 D CA 0.303 54.378 54.000 0.124 0.000 1.023 368 D CB -0.175 40.666 40.800 0.069 0.000 1.100 368 D HN 0.234 nan 8.370 nan 0.000 0.487 369 L N 2.265 123.532 121.223 0.073 0.000 2.357 369 L HA 0.340 4.680 4.340 0.000 0.000 0.273 369 L C -1.874 174.995 176.870 -0.003 0.000 1.080 369 L CA -1.880 52.978 54.840 0.030 0.000 0.803 369 L CB 1.115 43.198 42.059 0.040 0.000 1.174 369 L HN -0.056 nan 8.230 nan 0.000 0.443 370 P HA 0.126 nan 4.420 nan 0.000 0.271 370 P C 0.363 177.656 177.300 -0.012 0.000 1.216 370 P CA 0.519 63.604 63.100 -0.024 0.000 0.776 370 P CB 1.109 32.802 31.700 -0.012 0.000 0.881 371 G N 2.748 111.539 108.800 -0.016 0.000 2.552 371 G HA2 -0.314 3.646 3.960 0.000 0.000 0.265 371 G HA3 -0.314 3.646 3.960 0.000 0.000 0.265 371 G C 0.907 175.788 174.900 -0.032 0.000 1.234 371 G CA 0.116 45.218 45.100 0.003 0.000 0.944 371 G HN 0.436 nan 8.290 nan 0.000 0.568 372 I N 1.744 122.250 120.570 -0.107 0.000 2.394 372 I HA 0.176 4.346 4.170 0.000 0.000 0.251 372 I C 2.359 178.314 176.117 -0.270 0.000 1.136 372 I CA 1.739 62.871 61.300 -0.281 0.000 1.425 372 I CB -0.446 37.128 38.000 -0.710 0.000 1.079 372 I HN 1.948 nan 8.210 nan 0.000 0.425 373 G N -0.091 108.603 108.800 -0.177 0.000 2.134 373 G HA2 -0.265 3.695 3.960 0.000 0.000 0.209 373 G HA3 -0.265 3.695 3.960 0.000 0.000 0.209 373 G C 0.626 175.541 174.900 0.025 0.000 0.993 373 G CA -0.212 44.858 45.100 -0.050 0.000 0.669 373 G HN 0.335 nan 8.290 nan 0.000 0.519 374 F N 0.627 120.654 119.950 0.128 0.000 2.202 374 F HA -0.043 4.484 4.527 0.000 0.000 0.301 374 F C 2.539 178.367 175.800 0.046 0.000 1.082 374 F CA 1.410 59.494 58.000 0.140 0.000 1.313 374 F CB 0.024 39.167 39.000 0.238 0.000 1.024 374 F HN 0.247 nan 8.300 nan 0.000 0.495 375 E N 0.217 120.462 120.200 0.074 0.000 2.209 375 E HA -0.163 4.187 4.350 0.000 0.000 0.196 375 E C 2.348 178.884 176.600 -0.106 0.000 0.993 375 E CA 1.037 57.247 56.400 -0.317 0.000 0.819 375 E CB -0.767 28.675 29.700 -0.430 0.000 0.745 375 E HN 0.377 nan 8.360 nan 0.000 0.477 376 G N 0.215 109.022 108.800 0.011 0.000 2.559 376 G HA2 -0.214 3.746 3.960 0.000 0.000 0.216 376 G HA3 -0.214 3.746 3.960 0.000 0.000 0.216 376 G C 0.608 175.553 174.900 0.075 0.000 1.126 376 G CA 0.031 45.155 45.100 0.040 0.000 0.778 376 G HN 0.098 nan 8.290 nan 0.000 0.543 377 K N 1.229 121.696 120.400 0.112 0.000 2.419 377 K HA 0.291 4.612 4.320 0.000 0.000 0.244 377 K C 1.728 178.387 176.600 0.098 0.000 1.045 377 K CA 0.128 56.477 56.287 0.104 0.000 1.004 377 K CB 0.702 33.277 32.500 0.125 0.000 1.376 377 K HN 0.143 nan 8.250 nan 0.000 0.460 378 S N 2.763 118.511 115.700 0.081 0.000 2.368 378 S HA -0.264 4.206 4.470 0.000 0.000 0.226 378 S C 1.412 176.032 174.600 0.034 0.000 1.044 378 S CA 1.911 60.165 58.200 0.090 0.000 1.062 378 S CB -0.372 62.864 63.200 0.059 0.000 0.931 378 S HN 0.815 nan 8.310 nan 0.000 0.440 379 D N 1.311 121.701 120.400 -0.018 0.000 2.218 379 D HA -0.093 4.547 4.640 0.000 0.000 0.204 379 D C 2.027 178.227 176.300 -0.166 0.000 0.976 379 D CA 0.871 54.822 54.000 -0.082 0.000 0.853 379 D CB -0.424 40.324 40.800 -0.086 0.000 0.939 379 D HN 0.510 nan 8.370 nan 0.000 0.481 380 L N -0.947 120.181 121.223 -0.159 0.000 2.145 380 L HA -0.085 4.255 4.340 0.000 0.000 0.201 380 L C 2.513 179.251 176.870 -0.220 0.000 1.075 380 L CA 0.497 55.160 54.840 -0.295 0.000 0.773 380 L CB -0.307 41.610 42.059 -0.237 0.000 0.936 380 L HN -0.118 nan 8.230 nan 0.000 0.451 381 Y N 1.380 121.568 120.300 -0.187 0.000 2.256 381 Y HA -0.323 4.227 4.550 0.000 0.000 0.288 381 Y C 2.601 178.383 175.900 -0.197 0.000 1.155 381 Y CA 1.942 59.929 58.100 -0.187 0.000 1.203 381 Y CB -0.268 38.155 38.460 -0.061 0.000 0.980 381 Y HN 0.135 nan 8.280 nan 0.000 0.530 382 K N 0.010 120.264 120.400 -0.243 0.000 2.032 382 K HA -0.274 4.046 4.320 0.000 0.000 0.209 382 K C 1.999 178.410 176.600 -0.314 0.000 1.048 382 K CA 2.016 58.139 56.287 -0.274 0.000 0.927 382 K CB -0.179 32.234 32.500 -0.145 0.000 0.712 382 K HN 0.210 nan 8.250 nan 0.000 0.441 383 E N 0.462 120.490 120.200 -0.287 0.000 2.077 383 E HA -0.135 4.215 4.350 0.000 0.000 0.193 383 E C 1.964 178.396 176.600 -0.280 0.000 0.989 383 E CA 1.637 57.894 56.400 -0.237 0.000 0.800 383 E CB -0.031 29.527 29.700 -0.238 0.000 0.746 383 E HN 0.348 nan 8.360 nan 0.000 0.452 384 M N 0.296 119.624 119.600 -0.453 0.000 2.099 384 M HA -0.153 4.327 4.480 0.000 0.000 0.262 384 M C 2.119 178.071 176.300 -0.580 0.000 1.067 384 M CA 1.819 56.725 55.300 -0.657 0.000 1.124 384 M CB -0.423 31.451 32.600 -1.210 0.000 1.353 384 M HN 0.014 nan 8.290 nan 0.000 0.410 385 K N 0.589 120.557 120.400 -0.719 0.000 2.362 385 K HA 0.063 4.383 4.320 0.000 0.000 0.200 385 K C 1.769 178.250 176.600 -0.198 0.000 1.046 385 K CA 1.252 57.286 56.287 -0.421 0.000 0.952 385 K CB -0.294 31.816 32.500 -0.651 0.000 0.753 385 K HN 0.222 nan 8.250 nan 0.000 0.466 386 A N 1.479 124.172 122.820 -0.212 0.000 2.014 386 A HA -0.021 4.299 4.320 0.000 0.000 0.218 386 A C 2.061 179.617 177.584 -0.048 0.000 1.163 386 A CA 0.759 52.729 52.037 -0.111 0.000 0.652 386 A CB -0.320 18.613 19.000 -0.112 0.000 0.808 386 A HN 0.339 nan 8.150 nan 0.000 0.449 387 L N -1.351 119.853 121.223 -0.032 0.000 2.068 387 L HA 0.418 4.758 4.340 0.000 0.000 0.204 387 L C 0.774 177.692 176.870 0.080 0.000 1.076 387 L CA 1.737 56.599 54.840 0.037 0.000 0.753 387 L CB -0.247 41.857 42.059 0.074 0.000 0.910 387 L HN 0.408 nan 8.230 nan 0.000 0.439 388 A N -1.162 121.740 122.820 0.137 0.000 2.589 388 A HA 0.658 4.979 4.320 0.000 0.000 0.296 388 A C -0.894 176.806 177.584 0.193 0.000 1.062 388 A CA -0.505 51.621 52.037 0.148 0.000 0.686 388 A CB 1.058 20.149 19.000 0.152 0.000 1.282 388 A HN 0.228 nan 8.150 nan 0.000 0.404 389 E N 0.000 120.278 120.200 0.129 0.000 2.725 389 E HA 0.000 4.350 4.350 0.000 0.000 0.291 389 E CA 0.000 56.486 56.400 0.143 0.000 0.976 389 E CB 0.000 29.758 29.700 0.097 0.000 0.812 389 E HN 0.000 nan 8.360 nan 0.000 0.440