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 2vdn_1_A DATA FIRST_RESID 1 DATA SEQUENCE LNLDPVQLTF YAGPNGSQFG FSLDFHKDSH GRVAIVVGAP RTLGPSQEET DATA SEQUENCE GGVFLcPWRA EGGQcPSLLF DLRDETRNVG SQTLQTFKAR QGLGASVVSW DATA SEQUENCE SDVIVAcAPW QHWNVLEKTE EAEKTPVGSc FLAQPESGRR AEYSPcRGNT DATA SEQUENCE LSRIYVENDF SWDKRYcEAG FSSVVTQAGE LVLGAPGGYY FLGLLAQAPV DATA SEQUENCE ADIFSSYRPG ILLWHVSSQS LSFDSSNPEY FDGYWGYSVA VGEFDGDLNT DATA SEQUENCE TEYVVGAPTW SWTLGAVEIL DSYYQRLHRL RGEQMASYFG HSVAVTDVNG DATA SEQUENCE DGRHDLLVGA PLYMESRADR KLAEVGRVYL FLQPRGPHAL GAPSLLLTGT DATA SEQUENCE QLYGRFGSAI APLGDLDRDG YNDIAVAAPY GGPSGRGQVL VFLGQSEGLR DATA SEQUENCE SRPSQVLDSP FPTGSAFGFS LRGAVDIDDN GYPDLIVGAY GANQVAVYRA DATA SEQUENCE QP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.871 176.870 0.002 0.000 1.165 1 L CA 0.000 54.837 54.840 -0.006 0.000 0.813 1 L CB 0.000 42.066 42.059 0.011 0.000 0.961 2 N N 0.024 118.732 118.700 0.013 0.000 2.305 2 N HA 0.221 4.961 4.740 -0.000 0.000 0.248 2 N C -0.477 175.038 175.510 0.009 0.000 1.290 2 N CA -0.248 52.805 53.050 0.005 0.000 0.873 2 N CB 0.094 38.582 38.487 0.001 0.000 1.261 2 N HN 0.284 nan 8.380 nan 0.000 0.504 3 L N 1.293 122.532 121.223 0.026 0.000 2.361 3 L HA 0.160 4.500 4.340 -0.000 0.000 0.278 3 L C 0.262 177.186 176.870 0.090 0.000 1.113 3 L CA -0.303 54.575 54.840 0.062 0.000 0.849 3 L CB 0.503 42.592 42.059 0.050 0.000 1.155 3 L HN 0.003 nan 8.230 nan 0.000 0.452 4 D N 6.410 126.874 120.400 0.107 0.000 2.346 4 D HA 0.076 4.716 4.640 -0.000 0.000 0.260 4 D C -1.506 174.902 176.300 0.180 0.000 1.252 4 D CA -1.750 52.307 54.000 0.095 0.000 0.895 4 D CB 1.300 42.129 40.800 0.048 0.000 1.097 4 D HN 0.248 nan 8.370 nan 0.000 0.489 5 P HA -0.025 nan 4.420 nan 0.000 0.245 5 P C 1.242 178.598 177.300 0.093 0.000 1.203 5 P CA 0.047 63.281 63.100 0.223 0.000 0.792 5 P CB 0.689 32.481 31.700 0.152 0.000 0.997 6 V N 0.231 120.170 119.914 0.042 0.000 2.300 6 V HA -0.064 4.056 4.120 -0.000 0.000 0.241 6 V C 1.343 177.418 176.094 -0.032 0.000 1.034 6 V CA 1.384 63.688 62.300 0.006 0.000 1.021 6 V CB -1.035 30.791 31.823 0.006 0.000 0.662 6 V HN 0.087 nan 8.190 nan 0.000 0.458 7 Q N 1.750 121.530 119.800 -0.034 0.000 2.664 7 Q HA 0.374 4.714 4.340 -0.000 0.000 0.223 7 Q C -0.630 175.287 176.000 -0.138 0.000 1.298 7 Q CA 0.327 56.093 55.803 -0.061 0.000 0.965 7 Q CB 0.242 28.969 28.738 -0.019 0.000 1.510 7 Q HN 0.488 nan 8.270 nan 0.000 0.567 8 L N 0.683 121.743 121.223 -0.272 0.000 2.358 8 L HA 0.585 4.925 4.340 -0.000 0.000 0.268 8 L C 0.331 176.862 176.870 -0.565 0.000 1.032 8 L CA -0.681 53.832 54.840 -0.546 0.000 0.805 8 L CB 1.516 43.050 42.059 -0.875 0.000 1.253 8 L HN 0.189 nan 8.230 nan 0.000 0.452 9 T N 0.980 115.178 114.554 -0.593 0.000 2.812 9 T HA 0.552 4.902 4.350 -0.000 0.000 0.282 9 T C -0.763 173.602 174.700 -0.558 0.000 0.990 9 T CA -0.285 61.539 62.100 -0.460 0.000 0.960 9 T CB 0.793 69.592 68.868 -0.116 0.000 0.948 9 T HN 0.134 nan 8.240 nan 0.000 0.438 10 F N 2.513 122.386 119.950 -0.128 0.000 2.411 10 F HA 0.519 5.046 4.527 -0.000 0.000 0.352 10 F C -0.314 175.397 175.800 -0.149 0.000 1.123 10 F CA -1.068 56.931 58.000 -0.001 0.000 1.044 10 F CB 0.975 40.021 39.000 0.076 0.000 1.135 10 F HN 0.491 nan 8.300 nan 0.000 0.461 11 Y N 2.002 122.499 120.300 0.328 0.000 2.342 11 Y HA 0.685 5.235 4.550 -0.000 0.000 0.334 11 Y C 0.150 176.100 175.900 0.083 0.000 1.067 11 Y CA -0.973 57.254 58.100 0.213 0.000 1.128 11 Y CB 1.697 40.348 38.460 0.319 0.000 1.200 11 Y HN 0.636 nan 8.280 nan 0.000 0.464 12 A N 1.700 124.440 122.820 -0.134 0.000 2.386 12 A HA 0.852 5.171 4.320 -0.000 0.000 0.311 12 A C -0.105 176.780 177.584 -1.164 0.000 1.068 12 A CA -0.190 51.545 52.037 -0.504 0.000 0.743 12 A CB 0.977 19.835 19.000 -0.237 0.000 1.258 12 A HN 0.860 nan 8.150 nan 0.000 0.429 13 G N 0.497 108.406 108.800 -1.486 0.000 2.820 13 G HA2 0.743 4.703 3.960 -0.000 0.000 0.291 13 G HA3 0.743 4.703 3.960 -0.000 0.000 0.291 13 G C -2.994 171.640 174.900 -0.444 0.000 1.323 13 G CA -1.752 42.635 45.100 -1.189 0.000 1.055 13 G HN 0.530 nan 8.290 nan 0.000 0.520 14 P HA 0.166 nan 4.420 nan 0.000 0.274 14 P C -0.381 176.902 177.300 -0.028 0.000 1.237 14 P CA -0.753 62.302 63.100 -0.075 0.000 0.793 14 P CB 0.496 32.208 31.700 0.021 0.000 0.977 15 N N 0.892 119.581 118.700 -0.019 0.000 2.357 15 N HA 0.167 4.907 4.740 -0.000 0.000 0.257 15 N C 1.553 177.079 175.510 0.027 0.000 1.250 15 N CA 1.824 54.873 53.050 -0.002 0.000 0.862 15 N CB -0.486 37.998 38.487 -0.005 0.000 1.066 15 N HN 0.753 nan 8.380 nan 0.000 0.468 16 G N 0.720 109.543 108.800 0.038 0.000 2.168 16 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.263 16 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.263 16 G C 0.879 175.825 174.900 0.078 0.000 0.977 16 G CA 0.976 46.108 45.100 0.053 0.000 0.659 16 G HN 0.725 nan 8.290 nan 0.000 0.533 17 S N -0.659 115.103 115.700 0.103 0.000 2.558 17 S HA 0.211 4.681 4.470 -0.000 0.000 0.217 17 S C 1.214 175.921 174.600 0.177 0.000 0.975 17 S CA 1.127 59.414 58.200 0.145 0.000 0.912 17 S CB -0.150 63.164 63.200 0.190 0.000 0.776 17 S HN 1.050 nan 8.310 nan 0.000 0.526 18 Q N -0.115 119.805 119.800 0.201 0.000 2.475 18 Q HA -0.206 4.134 4.340 -0.000 0.000 0.280 18 Q C -0.526 175.659 176.000 0.308 0.000 1.234 18 Q CA 0.519 56.493 55.803 0.284 0.000 0.873 18 Q CB -2.471 26.370 28.738 0.172 0.000 1.256 18 Q HN 0.751 nan 8.270 nan 0.000 0.475 19 F N 0.914 120.936 119.950 0.120 0.000 2.571 19 F HA 0.256 4.783 4.527 -0.000 0.000 0.390 19 F C 1.400 177.270 175.800 0.117 0.000 1.043 19 F CA 1.934 59.980 58.000 0.078 0.000 1.164 19 F CB 0.321 39.274 39.000 -0.079 0.000 1.049 19 F HN 0.316 nan 8.300 nan 0.000 0.552 20 G N 4.937 113.612 108.800 -0.210 0.000 2.154 20 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.186 20 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.186 20 G C 0.595 175.580 174.900 0.142 0.000 1.000 20 G CA 0.066 45.123 45.100 -0.072 0.000 0.664 20 G HN 0.735 nan 8.290 nan 0.000 0.513 21 F N 2.414 122.393 119.950 0.049 0.000 2.234 21 F HA 0.276 4.802 4.527 -0.000 0.000 0.299 21 F C 1.460 177.304 175.800 0.072 0.000 1.087 21 F CA 2.053 60.091 58.000 0.063 0.000 1.340 21 F CB 0.266 39.205 39.000 -0.102 0.000 1.031 21 F HN 0.551 nan 8.300 nan 0.000 0.500 22 S N 0.082 115.855 115.700 0.122 0.000 2.556 22 S HA 0.719 5.188 4.470 -0.000 0.000 0.271 22 S C -1.290 173.270 174.600 -0.067 0.000 1.135 22 S CA -0.670 57.527 58.200 -0.005 0.000 0.858 22 S CB 2.341 65.563 63.200 0.037 0.000 1.114 22 S HN 0.237 nan 8.310 nan 0.000 0.468 23 L N -1.194 119.968 121.223 -0.102 0.000 2.671 23 L HA 1.003 5.343 4.340 -0.000 0.000 0.259 23 L C -1.429 175.351 176.870 -0.149 0.000 1.021 23 L CA -0.557 54.197 54.840 -0.143 0.000 0.871 23 L CB 0.924 42.870 42.059 -0.188 0.000 1.472 23 L HN 0.826 nan 8.230 nan 0.000 0.410 24 D N -0.598 119.696 120.400 -0.175 0.000 2.648 24 D HA 0.557 5.197 4.640 -0.000 0.000 0.244 24 D C -1.658 174.523 176.300 -0.197 0.000 1.244 24 D CA -0.288 53.622 54.000 -0.149 0.000 0.772 24 D CB 1.589 42.390 40.800 0.003 0.000 1.379 24 D HN 0.376 nan 8.370 nan 0.000 0.428 25 F N 1.454 121.431 119.950 0.045 0.000 2.412 25 F HA 0.342 4.869 4.527 -0.000 0.000 0.348 25 F C 0.621 176.477 175.800 0.094 0.000 1.102 25 F CA -0.081 57.949 58.000 0.051 0.000 1.196 25 F CB 0.766 39.773 39.000 0.011 0.000 1.144 25 F HN 0.239 nan 8.300 nan 0.000 0.541 26 H N 2.707 121.888 119.070 0.186 0.000 2.538 26 H HA 0.425 4.981 4.556 -0.000 0.000 0.353 26 H C -1.178 174.209 175.328 0.099 0.000 1.109 26 H CA -0.959 55.159 56.048 0.116 0.000 1.192 26 H CB 1.321 31.135 29.762 0.085 0.000 1.555 26 H HN 0.572 nan 8.280 nan 0.000 0.518 27 K N 4.166 124.224 120.400 -0.571 0.000 2.450 27 K HA 0.184 4.504 4.320 -0.000 0.000 0.257 27 K C -0.921 175.413 176.600 -0.445 0.000 0.953 27 K CA -0.969 55.116 56.287 -0.336 0.000 0.844 27 K CB 0.701 33.072 32.500 -0.216 0.000 1.103 27 K HN 0.840 nan 8.250 nan 0.000 0.429 28 D N 2.036 122.351 120.400 -0.141 0.000 2.384 28 D HA -0.068 4.572 4.640 -0.000 0.000 0.244 28 D C 1.033 177.292 176.300 -0.067 0.000 1.251 28 D CA -0.180 53.810 54.000 -0.016 0.000 0.961 28 D CB 0.883 41.772 40.800 0.149 0.000 1.116 28 D HN 0.416 nan 8.370 nan 0.000 0.484 29 S N -0.425 115.221 115.700 -0.090 0.000 2.400 29 S HA -0.279 4.191 4.470 -0.000 0.000 0.232 29 S C 1.577 176.058 174.600 -0.199 0.000 1.025 29 S CA 1.265 59.353 58.200 -0.187 0.000 0.993 29 S CB -0.989 62.060 63.200 -0.253 0.000 0.808 29 S HN 0.624 nan 8.310 nan 0.000 0.478 30 H N 1.300 120.352 119.070 -0.030 0.000 2.495 30 H HA 0.302 4.858 4.556 -0.000 0.000 0.287 30 H C 1.968 177.280 175.328 -0.025 0.000 1.033 30 H CA 0.951 56.987 56.048 -0.020 0.000 1.307 30 H CB -0.199 29.562 29.762 -0.001 0.000 1.401 30 H HN 0.629 nan 8.280 nan 0.000 0.555 31 G N 0.017 108.854 108.800 0.062 0.000 2.231 31 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.206 31 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.206 31 G C 0.378 175.293 174.900 0.025 0.000 0.996 31 G CA -0.158 44.948 45.100 0.011 0.000 0.645 31 G HN 0.330 nan 8.290 nan 0.000 0.498 32 R N 1.469 122.012 120.500 0.072 0.000 2.446 32 R HA 0.458 4.797 4.340 -0.000 0.000 0.314 32 R C 0.399 176.752 176.300 0.087 0.000 1.003 32 R CA 0.191 56.343 56.100 0.087 0.000 1.018 32 R CB 0.290 30.655 30.300 0.109 0.000 0.945 32 R HN 0.202 nan 8.270 nan 0.000 0.419 33 V N 4.944 124.910 119.914 0.086 0.000 2.530 33 V HA 0.564 4.684 4.120 -0.000 0.000 0.282 33 V C 0.601 176.815 176.094 0.201 0.000 1.048 33 V CA 0.283 62.646 62.300 0.105 0.000 0.997 33 V CB 0.818 32.663 31.823 0.037 0.000 0.987 33 V HN 0.976 nan 8.190 nan 0.000 0.477 34 A N 5.596 128.558 122.820 0.236 0.000 2.437 34 A HA 0.935 5.255 4.320 -0.000 0.000 0.288 34 A C -0.880 176.836 177.584 0.219 0.000 1.201 34 A CA -0.775 51.406 52.037 0.240 0.000 0.795 34 A CB 1.318 20.449 19.000 0.217 0.000 1.359 34 A HN 0.681 nan 8.150 nan 0.000 0.435 35 I N 0.618 121.243 120.570 0.093 0.000 2.418 35 I HA 0.380 4.550 4.170 -0.000 0.000 0.287 35 I C -0.541 175.546 176.117 -0.050 0.000 1.008 35 I CA -0.806 60.470 61.300 -0.040 0.000 1.104 35 I CB 1.765 39.665 38.000 -0.167 0.000 1.264 35 I HN 0.363 nan 8.210 nan 0.000 0.438 36 V N 8.372 128.266 119.914 -0.033 0.000 2.465 36 V HA 0.486 4.606 4.120 -0.000 0.000 0.279 36 V C -0.387 175.658 176.094 -0.081 0.000 1.045 36 V CA -0.063 62.224 62.300 -0.022 0.000 0.938 36 V CB 1.629 33.457 31.823 0.008 0.000 0.986 36 V HN 0.459 nan 8.190 nan 0.000 0.467 37 V N 6.303 126.173 119.914 -0.074 0.000 2.540 37 V HA 0.698 4.818 4.120 -0.000 0.000 0.302 37 V C 0.665 176.707 176.094 -0.087 0.000 1.035 37 V CA -0.146 62.023 62.300 -0.218 0.000 0.873 37 V CB 1.599 33.041 31.823 -0.636 0.000 0.992 37 V HN 1.020 nan 8.190 nan 0.000 0.428 38 G N 2.525 111.274 108.800 -0.084 0.000 2.377 38 G HA2 0.621 4.581 3.960 -0.000 0.000 0.299 38 G HA3 0.621 4.581 3.960 -0.000 0.000 0.299 38 G C -0.219 174.715 174.900 0.057 0.000 1.150 38 G CA -0.092 45.019 45.100 0.018 0.000 0.847 38 G HN 1.219 nan 8.290 nan 0.000 0.501 39 A N 4.013 126.924 122.820 0.151 0.000 3.082 39 A HA 0.635 4.955 4.320 -0.000 0.000 0.328 39 A C -1.583 176.079 177.584 0.130 0.000 1.089 39 A CA -1.034 51.137 52.037 0.224 0.000 0.802 39 A CB 1.462 20.772 19.000 0.517 0.000 1.138 39 A HN 0.439 nan 8.150 nan 0.000 0.474 40 P HA -0.092 nan 4.420 nan 0.000 0.234 40 P C 0.632 177.926 177.300 -0.010 0.000 1.167 40 P CA 0.853 63.922 63.100 -0.052 0.000 0.763 40 P CB 0.183 31.747 31.700 -0.227 0.000 0.835 41 R N -0.821 119.688 120.500 0.016 0.000 2.577 41 R HA 0.201 4.541 4.340 -0.000 0.000 0.344 41 R C 0.123 176.464 176.300 0.069 0.000 1.037 41 R CA -0.052 56.065 56.100 0.028 0.000 1.102 41 R CB 0.105 30.409 30.300 0.005 0.000 1.313 41 R HN 0.064 nan 8.270 nan 0.000 0.561 42 T N 2.294 116.913 114.554 0.109 0.000 2.934 42 T HA 0.086 4.436 4.350 -0.000 0.000 0.306 42 T C 0.666 175.415 174.700 0.082 0.000 1.042 42 T CA 0.206 62.388 62.100 0.136 0.000 1.145 42 T CB 0.809 69.798 68.868 0.201 0.000 0.982 42 T HN 0.105 nan 8.240 nan 0.000 0.544 43 L N 2.857 124.126 121.223 0.077 0.000 2.416 43 L HA 0.357 4.697 4.340 -0.000 0.000 0.272 43 L C 1.500 178.397 176.870 0.045 0.000 1.161 43 L CA -0.529 54.343 54.840 0.053 0.000 0.845 43 L CB 0.084 42.171 42.059 0.047 0.000 1.119 43 L HN 0.787 nan 8.230 nan 0.000 0.464 44 G N 2.664 111.484 108.800 0.033 0.000 2.570 44 G HA2 0.181 4.141 3.960 -0.000 0.000 0.276 44 G HA3 0.181 4.141 3.960 -0.000 0.000 0.276 44 G C -1.416 173.499 174.900 0.024 0.000 1.346 44 G CA -0.634 44.480 45.100 0.024 0.000 1.034 44 G HN 0.585 nan 8.290 nan 0.000 0.512 45 P HA 0.017 nan 4.420 nan 0.000 0.223 45 P C 0.980 178.292 177.300 0.020 0.000 1.151 45 P CA 0.818 63.928 63.100 0.018 0.000 0.787 45 P CB 0.362 32.070 31.700 0.014 0.000 0.788 46 S N -0.239 115.475 115.700 0.023 0.000 2.573 46 S HA 0.154 4.623 4.470 -0.000 0.000 0.244 46 S C 0.471 175.084 174.600 0.023 0.000 0.984 46 S CA -0.340 57.873 58.200 0.022 0.000 1.001 46 S CB -0.374 62.841 63.200 0.025 0.000 0.788 46 S HN 0.156 nan 8.310 nan 0.000 0.456 47 Q N 0.352 120.166 119.800 0.024 0.000 2.481 47 Q HA -0.227 4.113 4.340 -0.000 0.000 0.258 47 Q C -0.158 175.856 176.000 0.024 0.000 0.961 47 Q CA 0.947 56.764 55.803 0.023 0.000 1.121 47 Q CB -1.006 27.743 28.738 0.019 0.000 1.503 47 Q HN 0.699 nan 8.270 nan 0.000 0.544 48 E N 0.424 120.640 120.200 0.028 0.000 2.195 48 E HA 0.252 4.602 4.350 -0.000 0.000 0.271 48 E C -0.797 175.823 176.600 0.033 0.000 0.923 48 E CA -0.519 55.899 56.400 0.029 0.000 0.790 48 E CB 1.089 30.810 29.700 0.034 0.000 1.155 48 E HN 0.117 nan 8.360 nan 0.000 0.402 49 E N 1.858 122.077 120.200 0.031 0.000 2.351 49 E HA -0.002 4.348 4.350 -0.000 0.000 0.266 49 E C 0.345 176.972 176.600 0.046 0.000 1.031 49 E CA 0.442 56.862 56.400 0.034 0.000 0.911 49 E CB 0.825 30.538 29.700 0.023 0.000 0.986 49 E HN 0.612 nan 8.360 nan 0.000 0.446 50 T N -0.025 114.555 114.554 0.042 0.000 2.954 50 T HA 0.344 4.694 4.350 -0.000 0.000 0.252 50 T C 0.868 175.580 174.700 0.021 0.000 0.983 50 T CA 0.126 62.250 62.100 0.040 0.000 0.941 50 T CB 0.639 69.519 68.868 0.020 0.000 1.141 50 T HN 0.688 nan 8.240 nan 0.000 0.500 51 G N -0.311 108.503 108.800 0.023 0.000 2.746 51 G HA2 0.410 4.370 3.960 -0.000 0.000 0.685 51 G HA3 0.410 4.370 3.960 -0.000 0.000 0.685 51 G C -0.170 174.719 174.900 -0.019 0.000 1.350 51 G CA -0.463 44.645 45.100 0.014 0.000 0.837 51 G HN 1.467 nan 8.290 nan 0.000 0.564 52 G N -2.047 106.751 108.800 -0.004 0.000 2.623 52 G HA2 0.814 4.774 3.960 -0.000 0.000 0.290 52 G HA3 0.814 4.774 3.960 -0.000 0.000 0.290 52 G C -1.380 173.476 174.900 -0.074 0.000 1.437 52 G CA 0.330 45.378 45.100 -0.086 0.000 0.798 52 G HN 1.701 nan 8.290 nan 0.000 0.488 53 V N -0.030 119.766 119.914 -0.197 0.000 2.735 53 V HA 0.734 4.854 4.120 -0.000 0.000 0.310 53 V C -1.173 174.733 176.094 -0.313 0.000 1.061 53 V CA -0.633 61.621 62.300 -0.076 0.000 0.913 53 V CB 1.590 33.476 31.823 0.105 0.000 1.005 53 V HN 0.602 nan 8.190 nan 0.000 0.428 54 F N 3.793 123.792 119.950 0.081 0.000 2.532 54 F HA 0.679 5.205 4.527 -0.000 0.000 0.321 54 F C -0.435 175.391 175.800 0.042 0.000 1.089 54 F CA -0.800 57.265 58.000 0.108 0.000 0.926 54 F CB 1.998 41.170 39.000 0.287 0.000 1.168 54 F HN 0.282 nan 8.300 nan 0.000 0.459 55 L N 4.034 125.366 121.223 0.182 0.000 2.301 55 L HA 0.546 4.885 4.340 -0.000 0.000 0.278 55 L C -1.043 175.884 176.870 0.095 0.000 1.022 55 L CA -0.533 54.357 54.840 0.084 0.000 0.854 55 L CB 0.291 42.356 42.059 0.009 0.000 1.226 55 L HN 0.689 nan 8.230 nan 0.000 0.429 56 c N 6.937 125.559 118.600 0.038 0.000 2.347 56 c HA 0.561 5.131 4.570 -0.000 0.000 0.353 56 c C -2.015 172.092 174.090 0.027 0.000 1.273 56 c CA -0.993 55.312 56.329 -0.041 0.000 1.861 56 c CB 0.412 42.665 42.510 -0.429 0.000 2.420 56 c HN 0.624 nan 8.230 nan 0.000 0.542 57 P HA 0.070 nan 4.420 nan 0.000 0.284 57 P C -0.463 177.016 177.300 0.297 0.000 1.258 57 P CA -0.526 62.686 63.100 0.187 0.000 0.824 57 P CB 0.705 32.494 31.700 0.147 0.000 1.038 58 W N 5.194 126.589 121.300 0.159 0.000 2.381 58 W HA 0.158 4.818 4.660 -0.000 0.000 0.321 58 W C -0.923 175.718 176.519 0.204 0.000 1.407 58 W CA -0.138 57.337 57.345 0.217 0.000 1.274 58 W CB 0.388 29.949 29.460 0.167 0.000 1.310 58 W HN 0.385 nan 8.180 nan 0.000 0.551 59 R N 4.184 124.289 120.500 -0.657 0.000 2.651 59 R HA 0.366 4.705 4.340 -0.000 0.000 0.278 59 R C 0.695 176.193 176.300 -1.337 0.000 1.010 59 R CA -0.229 55.329 56.100 -0.905 0.000 0.896 59 R CB 1.897 31.997 30.300 -0.334 0.000 1.211 59 R HN 0.575 nan 8.270 nan 0.000 0.456 60 A N 2.016 124.237 122.820 -0.998 0.000 1.902 60 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 60 A C 1.713 179.059 177.584 -0.395 0.000 1.181 60 A CA 1.651 53.326 52.037 -0.604 0.000 0.623 60 A CB -0.265 18.569 19.000 -0.277 0.000 0.818 60 A HN 0.841 nan 8.150 nan 0.000 0.443 61 E N -0.149 119.849 120.200 -0.337 0.000 2.285 61 E HA 0.220 4.570 4.350 -0.000 0.000 0.194 61 E C 1.265 177.683 176.600 -0.303 0.000 0.997 61 E CA 0.927 57.182 56.400 -0.240 0.000 0.845 61 E CB -0.985 28.616 29.700 -0.165 0.000 0.782 61 E HN 0.914 nan 8.360 nan 0.000 0.491 62 G N 0.832 109.356 108.800 -0.460 0.000 2.575 62 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.267 62 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.267 62 G C 0.551 175.252 174.900 -0.333 0.000 1.264 62 G CA 0.742 45.391 45.100 -0.752 0.000 0.935 62 G HN 1.232 nan 8.290 nan 0.000 0.568 63 G N -2.875 105.775 108.800 -0.249 0.000 2.255 63 G HA2 0.442 4.402 3.960 -0.000 0.000 0.216 63 G HA3 0.442 4.402 3.960 -0.000 0.000 0.216 63 G C -0.527 174.409 174.900 0.060 0.000 1.307 63 G CA 0.486 45.559 45.100 -0.046 0.000 1.162 63 G HN 1.335 nan 8.290 nan 0.000 0.494 64 Q N -0.389 119.426 119.800 0.024 0.000 2.299 64 Q HA 0.549 4.889 4.340 -0.000 0.000 0.246 64 Q C -0.164 175.893 176.000 0.095 0.000 0.935 64 Q CA 0.073 55.871 55.803 -0.007 0.000 0.887 64 Q CB 1.430 30.152 28.738 -0.027 0.000 1.223 64 Q HN 0.695 nan 8.270 nan 0.000 0.439 65 c N 2.752 121.405 118.600 0.088 0.000 2.529 65 c HA 0.619 5.189 4.570 -0.000 0.000 0.329 65 c C -2.021 172.251 174.090 0.303 0.000 1.194 65 c CA -1.244 55.212 56.329 0.212 0.000 1.779 65 c CB 1.567 44.244 42.510 0.278 0.000 2.322 65 c HN 0.700 nan 8.230 nan 0.000 0.500 66 P HA 0.187 nan 4.420 nan 0.000 0.278 66 P C -0.631 176.787 177.300 0.197 0.000 1.238 66 P CA 0.201 63.417 63.100 0.193 0.000 0.794 66 P CB 0.874 32.633 31.700 0.098 0.000 0.955 67 S N 1.780 117.508 115.700 0.046 0.000 2.523 67 S HA 0.227 4.697 4.470 -0.000 0.000 0.275 67 S C -0.070 174.398 174.600 -0.221 0.000 1.281 67 S CA -0.639 57.400 58.200 -0.269 0.000 1.050 67 S CB -0.346 62.648 63.200 -0.344 0.000 0.937 67 S HN 0.389 nan 8.310 nan 0.000 0.492 68 L N 7.361 128.421 121.223 -0.272 0.000 2.312 68 L HA 0.420 4.760 4.340 -0.000 0.000 0.287 68 L C -0.482 176.075 176.870 -0.521 0.000 1.091 68 L CA 0.128 54.777 54.840 -0.318 0.000 0.846 68 L CB -0.107 41.815 42.059 -0.228 0.000 1.219 68 L HN 0.649 nan 8.230 nan 0.000 0.439 69 L N 5.243 126.177 121.223 -0.480 0.000 2.453 69 L HA 0.216 4.556 4.340 -0.000 0.000 0.272 69 L C -0.617 175.845 176.870 -0.680 0.000 1.182 69 L CA 0.428 55.016 54.840 -0.420 0.000 0.858 69 L CB 0.271 42.188 42.059 -0.236 0.000 1.120 69 L HN 0.476 nan 8.230 nan 0.000 0.474 70 F N 0.469 120.332 119.950 -0.144 0.000 2.613 70 F HA 0.247 4.774 4.527 -0.000 0.000 0.314 70 F C 0.301 176.045 175.800 -0.094 0.000 1.075 70 F CA -1.080 56.833 58.000 -0.146 0.000 0.945 70 F CB 1.223 39.988 39.000 -0.392 0.000 1.310 70 F HN 0.349 nan 8.300 nan 0.000 0.467 71 D N 2.373 122.915 120.400 0.237 0.000 2.358 71 D HA 0.146 4.786 4.640 -0.000 0.000 0.258 71 D C 0.239 176.632 176.300 0.154 0.000 1.223 71 D CA 0.421 54.531 54.000 0.183 0.000 0.886 71 D CB 0.731 41.670 40.800 0.231 0.000 1.120 71 D HN 0.523 nan 8.370 nan 0.000 0.482 72 L N 3.804 125.077 121.223 0.084 0.000 2.769 72 L HA 0.227 4.567 4.340 -0.000 0.000 0.240 72 L C 1.003 177.921 176.870 0.081 0.000 1.163 72 L CA -0.211 54.667 54.840 0.064 0.000 0.962 72 L CB 0.188 42.259 42.059 0.021 0.000 1.258 72 L HN 0.054 nan 8.230 nan 0.000 0.513 73 R N 0.560 121.113 120.500 0.089 0.000 2.357 73 R HA 0.218 4.557 4.340 -0.000 0.000 0.296 73 R C -0.529 175.813 176.300 0.070 0.000 1.052 73 R CA -0.737 55.404 56.100 0.068 0.000 0.988 73 R CB 1.060 31.394 30.300 0.056 0.000 1.025 73 R HN -0.048 nan 8.270 nan 0.000 0.469 74 D N 2.095 122.517 120.400 0.036 0.000 2.368 74 D HA 0.057 4.697 4.640 -0.000 0.000 0.240 74 D C -0.192 176.088 176.300 -0.034 0.000 1.169 74 D CA 0.448 54.436 54.000 -0.019 0.000 0.906 74 D CB 0.739 41.484 40.800 -0.092 0.000 1.187 74 D HN 0.358 nan 8.370 nan 0.000 0.435 75 E N -0.482 119.675 120.200 -0.070 0.000 2.288 75 E HA 0.570 4.920 4.350 -0.000 0.000 0.268 75 E C -0.928 175.610 176.600 -0.103 0.000 0.885 75 E CA -0.804 55.571 56.400 -0.041 0.000 0.767 75 E CB 2.063 31.782 29.700 0.031 0.000 1.220 75 E HN 0.141 nan 8.360 nan 0.000 0.427 76 T N 1.831 116.342 114.554 -0.072 0.000 2.886 76 T HA 0.490 4.839 4.350 -0.000 0.000 0.292 76 T C -0.968 173.709 174.700 -0.039 0.000 1.012 76 T CA -0.742 61.307 62.100 -0.085 0.000 0.982 76 T CB 1.239 70.057 68.868 -0.084 0.000 1.018 76 T HN 0.255 nan 8.240 nan 0.000 0.451 77 R N 2.659 123.139 120.500 -0.034 0.000 2.483 77 R HA 0.334 4.674 4.340 -0.000 0.000 0.303 77 R C -1.175 175.117 176.300 -0.012 0.000 0.987 77 R CA -0.685 55.412 56.100 -0.006 0.000 0.881 77 R CB 0.647 30.965 30.300 0.031 0.000 1.177 77 R HN 0.475 nan 8.270 nan 0.000 0.451 78 N N 3.548 122.243 118.700 -0.010 0.000 2.719 78 N HA 0.149 4.889 4.740 -0.000 0.000 0.243 78 N C -1.031 174.481 175.510 0.003 0.000 1.104 78 N CA 0.017 53.063 53.050 -0.007 0.000 0.981 78 N CB 1.585 40.067 38.487 -0.009 0.000 1.290 78 N HN 0.247 nan 8.380 nan 0.000 0.513 79 V N -0.114 119.806 119.914 0.011 0.000 2.876 79 V HA 0.688 4.808 4.120 -0.000 0.000 0.312 79 V C 0.805 176.912 176.094 0.021 0.000 1.085 79 V CA -0.222 62.089 62.300 0.019 0.000 0.945 79 V CB 1.614 33.455 31.823 0.030 0.000 1.017 79 V HN 0.762 nan 8.190 nan 0.000 0.428 80 G N 4.003 112.816 108.800 0.021 0.000 2.283 80 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.280 80 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.280 80 G C 0.628 175.538 174.900 0.016 0.000 1.029 80 G CA 1.012 46.125 45.100 0.021 0.000 0.840 80 G HN 1.942 nan 8.290 nan 0.000 0.505 81 S N -1.998 113.708 115.700 0.011 0.000 3.521 81 S HA -0.208 4.261 4.470 -0.000 0.000 0.328 81 S C 0.702 175.305 174.600 0.006 0.000 1.165 81 S CA 2.186 60.391 58.200 0.007 0.000 0.941 81 S CB -0.823 62.382 63.200 0.007 0.000 0.951 81 S HN 1.116 nan 8.310 nan 0.000 0.539 82 Q N -0.729 119.074 119.800 0.006 0.000 2.552 82 Q HA 0.632 4.972 4.340 -0.000 0.000 0.289 82 Q C -0.711 175.280 176.000 -0.015 0.000 1.097 82 Q CA -0.862 54.940 55.803 -0.001 0.000 0.812 82 Q CB 1.817 30.561 28.738 0.009 0.000 1.460 82 Q HN 0.210 nan 8.270 nan 0.000 0.452 83 T N 1.499 116.029 114.554 -0.039 0.000 2.864 83 T HA 0.444 4.794 4.350 -0.000 0.000 0.299 83 T C -0.589 174.028 174.700 -0.139 0.000 1.011 83 T CA -0.521 61.540 62.100 -0.065 0.000 0.975 83 T CB 0.224 69.060 68.868 -0.054 0.000 0.962 83 T HN 0.254 nan 8.240 nan 0.000 0.448 84 L N 3.389 124.520 121.223 -0.154 0.000 2.312 84 L HA 0.562 4.902 4.340 -0.000 0.000 0.281 84 L C 0.272 176.919 176.870 -0.372 0.000 1.070 84 L CA -0.686 53.955 54.840 -0.332 0.000 0.805 84 L CB 0.827 42.839 42.059 -0.078 0.000 1.174 84 L HN 0.484 nan 8.230 nan 0.000 0.434 85 Q N 1.678 121.093 119.800 -0.641 0.000 2.305 85 Q HA 0.421 4.760 4.340 -0.000 0.000 0.271 85 Q C -0.809 174.912 176.000 -0.465 0.000 1.046 85 Q CA -0.687 54.811 55.803 -0.508 0.000 0.798 85 Q CB 2.934 31.438 28.738 -0.391 0.000 1.286 85 Q HN 0.732 nan 8.270 nan 0.000 0.435 86 T N -1.162 113.164 114.554 -0.380 0.000 2.855 86 T HA 0.767 5.117 4.350 -0.000 0.000 0.281 86 T C -0.666 173.744 174.700 -0.484 0.000 1.007 86 T CA -0.521 61.510 62.100 -0.115 0.000 1.009 86 T CB 0.627 69.569 68.868 0.123 0.000 0.983 86 T HN 0.321 nan 8.240 nan 0.000 0.455 87 F N 1.185 121.250 119.950 0.191 0.000 2.553 87 F HA 0.472 4.999 4.527 -0.000 0.000 0.335 87 F C 1.035 176.946 175.800 0.184 0.000 1.148 87 F CA -0.973 57.121 58.000 0.157 0.000 0.963 87 F CB 2.201 41.284 39.000 0.138 0.000 1.217 87 F HN 0.580 nan 8.300 nan 0.000 0.441 88 K N 1.691 122.257 120.400 0.276 0.000 2.358 88 K HA 0.380 4.700 4.320 -0.000 0.000 0.197 88 K C 0.570 177.287 176.600 0.194 0.000 1.025 88 K CA -0.141 56.286 56.287 0.233 0.000 1.104 88 K CB 0.676 33.290 32.500 0.189 0.000 0.855 88 K HN 0.563 nan 8.250 nan 0.000 0.531 89 A N 1.805 124.744 122.820 0.197 0.000 2.454 89 A HA 0.151 4.471 4.320 -0.000 0.000 0.260 89 A C 0.015 177.680 177.584 0.136 0.000 1.106 89 A CA 0.023 52.142 52.037 0.136 0.000 0.780 89 A CB -0.178 18.887 19.000 0.109 0.000 1.044 89 A HN 0.511 nan 8.150 nan 0.000 0.498 90 R N 0.249 120.813 120.500 0.108 0.000 3.770 90 R HA -0.254 4.085 4.340 -0.000 0.000 0.305 90 R C 1.268 177.704 176.300 0.226 0.000 1.184 90 R CA 1.265 57.430 56.100 0.108 0.000 0.823 90 R CB -1.912 28.412 30.300 0.041 0.000 1.285 90 R HN 1.020 nan 8.270 nan 0.000 0.499 91 Q N -0.004 119.942 119.800 0.242 0.000 2.369 91 Q HA 0.012 4.352 4.340 -0.000 0.000 0.206 91 Q C 1.151 177.340 176.000 0.314 0.000 0.963 91 Q CA 0.991 56.974 55.803 0.300 0.000 0.894 91 Q CB 0.336 29.209 28.738 0.225 0.000 0.965 91 Q HN 0.446 nan 8.270 nan 0.000 0.475 92 G N 1.853 110.817 108.800 0.274 0.000 2.256 92 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.272 92 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.272 92 G C -0.364 174.525 174.900 -0.018 0.000 1.076 92 G CA 0.099 45.338 45.100 0.233 0.000 0.882 92 G HN 0.405 nan 8.290 nan 0.000 0.497 93 L N 0.197 121.397 121.223 -0.039 0.000 2.534 93 L HA 0.505 4.845 4.340 -0.000 0.000 0.271 93 L C 1.472 178.269 176.870 -0.121 0.000 1.178 93 L CA 1.742 56.500 54.840 -0.136 0.000 0.907 93 L CB 0.366 42.273 42.059 -0.254 0.000 1.164 93 L HN 1.664 nan 8.230 nan 0.000 0.482 94 G N 3.005 111.725 108.800 -0.132 0.000 2.159 94 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.227 94 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.227 94 G C 0.894 175.764 174.900 -0.049 0.000 0.986 94 G CA 0.295 45.351 45.100 -0.073 0.000 0.651 94 G HN 1.258 nan 8.290 nan 0.000 0.523 95 A N -0.328 122.406 122.820 -0.144 0.000 2.024 95 A HA 0.445 4.765 4.320 -0.000 0.000 0.220 95 A C 1.671 179.262 177.584 0.011 0.000 1.164 95 A CA 2.410 54.355 52.037 -0.152 0.000 0.643 95 A CB -0.243 18.461 19.000 -0.492 0.000 0.806 95 A HN 2.166 nan 8.150 nan 0.000 0.451 96 S N -1.431 114.210 115.700 -0.097 0.000 2.541 96 S HA 0.611 5.080 4.470 -0.000 0.000 0.280 96 S C -0.919 173.642 174.600 -0.066 0.000 1.112 96 S CA -0.077 58.074 58.200 -0.081 0.000 0.925 96 S CB 1.704 64.820 63.200 -0.140 0.000 1.067 96 S HN 1.302 nan 8.310 nan 0.000 0.479 97 V N -0.083 119.805 119.914 -0.044 0.000 2.668 97 V HA 0.950 5.070 4.120 -0.000 0.000 0.304 97 V C -0.707 175.385 176.094 -0.004 0.000 1.071 97 V CA -0.687 61.600 62.300 -0.022 0.000 0.894 97 V CB 0.850 32.665 31.823 -0.013 0.000 1.008 97 V HN 1.086 nan 8.190 nan 0.000 0.425 98 V N 3.135 123.065 119.914 0.027 0.000 2.876 98 V HA 0.860 4.980 4.120 -0.000 0.000 0.312 98 V C -0.331 175.843 176.094 0.134 0.000 1.085 98 V CA 0.221 62.559 62.300 0.063 0.000 0.945 98 V CB 2.551 34.399 31.823 0.042 0.000 1.017 98 V HN 1.342 nan 8.190 nan 0.000 0.428 99 S N 5.165 120.976 115.700 0.184 0.000 2.503 99 S HA 0.754 5.224 4.470 -0.000 0.000 0.301 99 S C -1.733 173.055 174.600 0.312 0.000 1.087 99 S CA -0.471 57.894 58.200 0.276 0.000 1.042 99 S CB 1.240 64.631 63.200 0.319 0.000 1.043 99 S HN 0.911 nan 8.310 nan 0.000 0.489 100 W N 4.563 125.936 121.300 0.122 0.000 2.968 100 W HA 0.512 5.172 4.660 -0.000 0.000 0.337 100 W C 0.320 176.874 176.519 0.058 0.000 1.060 100 W CA 0.404 57.790 57.345 0.068 0.000 1.240 100 W CB 1.053 30.546 29.460 0.056 0.000 1.370 100 W HN 0.948 nan 8.180 nan 0.000 0.459 101 S N 2.890 118.094 115.700 -0.827 0.000 4.138 101 S HA -0.374 4.096 4.470 -0.000 0.000 0.574 101 S C 0.774 175.154 174.600 -0.366 0.000 1.895 101 S CA 2.328 60.054 58.200 -0.790 0.000 4.239 101 S CB -1.235 61.177 63.200 -1.313 0.000 0.264 101 S HN 0.946 nan 8.310 nan 0.000 0.489 102 D N 1.851 122.119 120.400 -0.220 0.000 2.427 102 D HA 0.422 5.062 4.640 -0.000 0.000 0.224 102 D C 0.048 176.475 176.300 0.213 0.000 1.157 102 D CA 0.061 54.071 54.000 0.017 0.000 0.828 102 D CB -0.107 40.666 40.800 -0.045 0.000 0.974 102 D HN 0.381 nan 8.370 nan 0.000 0.498 103 V N 0.861 120.935 119.914 0.266 0.000 2.604 103 V HA 0.408 4.528 4.120 -0.000 0.000 0.305 103 V C 0.017 176.318 176.094 0.345 0.000 1.043 103 V CA -0.870 61.631 62.300 0.335 0.000 0.888 103 V CB 2.299 34.386 31.823 0.440 0.000 0.995 103 V HN 0.066 nan 8.190 nan 0.000 0.429 104 I N 4.332 125.055 120.570 0.256 0.000 2.378 104 I HA 0.451 4.621 4.170 -0.000 0.000 0.291 104 I C -0.688 175.545 176.117 0.193 0.000 0.992 104 I CA -0.783 60.632 61.300 0.192 0.000 1.154 104 I CB 2.016 40.062 38.000 0.078 0.000 1.315 104 I HN 0.270 nan 8.210 nan 0.000 0.448 105 V N 5.957 125.955 119.914 0.139 0.000 2.328 105 V HA 0.613 4.733 4.120 -0.000 0.000 0.278 105 V C 0.262 176.364 176.094 0.014 0.000 1.021 105 V CA -0.479 61.860 62.300 0.066 0.000 0.838 105 V CB 1.202 33.049 31.823 0.039 0.000 0.999 105 V HN 0.808 nan 8.190 nan 0.000 0.447 106 A N 4.503 127.296 122.820 -0.045 0.000 2.318 106 A HA 0.721 5.041 4.320 -0.000 0.000 0.317 106 A C -0.389 177.128 177.584 -0.111 0.000 1.159 106 A CA -0.350 51.624 52.037 -0.106 0.000 0.799 106 A CB 0.908 19.803 19.000 -0.175 0.000 1.194 106 A HN 0.808 nan 8.150 nan 0.000 0.479 107 c N 1.597 120.134 118.600 -0.105 0.000 2.397 107 c HA 0.824 5.394 4.570 -0.000 0.000 0.343 107 c C 0.882 174.892 174.090 -0.135 0.000 1.188 107 c CA -0.239 56.029 56.329 -0.101 0.000 1.992 107 c CB 1.184 43.605 42.510 -0.148 0.000 2.358 107 c HN 0.997 nan 8.230 nan 0.000 0.518 108 A N 3.132 125.901 122.820 -0.086 0.000 2.644 108 A HA 0.566 4.886 4.320 -0.000 0.000 0.343 108 A C -1.928 175.503 177.584 -0.255 0.000 1.324 108 A CA -0.973 50.993 52.037 -0.119 0.000 0.846 108 A CB 0.133 19.188 19.000 0.090 0.000 1.128 108 A HN 0.664 nan 8.150 nan 0.000 0.484 109 P HA -0.098 nan 4.420 nan 0.000 0.221 109 P C 0.437 177.361 177.300 -0.625 0.000 1.145 109 P CA 1.112 63.778 63.100 -0.724 0.000 0.795 109 P CB 0.168 31.140 31.700 -1.213 0.000 0.775 110 W N -0.723 120.576 121.300 -0.002 0.000 2.966 110 W HA 0.342 5.002 4.660 -0.000 0.000 0.406 110 W C 0.320 176.881 176.519 0.069 0.000 1.027 110 W CA -0.501 56.847 57.345 0.005 0.000 1.930 110 W CB -1.037 28.463 29.460 0.067 0.000 1.144 110 W HN 0.064 nan 8.180 nan 0.000 0.626 111 Q N 1.480 121.384 119.800 0.174 0.000 2.255 111 Q HA -0.031 4.309 4.340 -0.000 0.000 0.280 111 Q C -0.484 175.640 176.000 0.207 0.000 1.068 111 Q CA 0.832 56.774 55.803 0.232 0.000 0.911 111 Q CB 0.489 29.321 28.738 0.157 0.000 1.157 111 Q HN 0.151 nan 8.270 nan 0.000 0.380 112 H N 2.793 122.041 119.070 0.297 0.000 2.499 112 H HA 0.490 5.046 4.556 -0.000 0.000 0.352 112 H C -1.071 174.580 175.328 0.539 0.000 1.237 112 H CA -0.124 56.123 56.048 0.331 0.000 1.343 112 H CB 0.946 30.828 29.762 0.200 0.000 1.578 112 H HN 0.669 nan 8.280 nan 0.000 0.577 113 W N 1.988 123.514 121.300 0.376 0.000 3.573 113 W HA 0.325 4.985 4.660 -0.000 0.000 0.306 113 W C -2.024 174.662 176.519 0.278 0.000 1.227 113 W CA -0.390 57.136 57.345 0.301 0.000 1.212 113 W CB 1.972 31.487 29.460 0.092 0.000 1.331 113 W HN 0.558 nan 8.180 nan 0.000 0.524 114 N N 2.439 120.888 118.700 -0.419 0.000 2.416 114 N HA 0.683 5.423 4.740 -0.000 0.000 0.276 114 N C -2.163 172.924 175.510 -0.705 0.000 1.261 114 N CA -0.415 52.412 53.050 -0.373 0.000 0.790 114 N CB 2.679 41.164 38.487 -0.003 0.000 1.554 114 N HN 0.137 nan 8.380 nan 0.000 0.481 115 V N 2.296 121.995 119.914 -0.358 0.000 2.577 115 V HA 0.516 4.636 4.120 -0.000 0.000 0.303 115 V C -0.505 175.531 176.094 -0.096 0.000 1.042 115 V CA -0.682 61.468 62.300 -0.251 0.000 0.872 115 V CB 1.536 33.293 31.823 -0.109 0.000 0.998 115 V HN 0.482 nan 8.190 nan 0.000 0.423 116 L N 3.898 125.073 121.223 -0.079 0.000 2.317 116 L HA 0.729 5.069 4.340 -0.000 0.000 0.281 116 L C -0.165 176.694 176.870 -0.017 0.000 1.024 116 L CA -0.360 54.461 54.840 -0.031 0.000 0.810 116 L CB 1.859 43.903 42.059 -0.024 0.000 1.240 116 L HN 0.690 nan 8.230 nan 0.000 0.427 117 E N 4.062 124.262 120.200 -0.001 0.000 2.343 117 E HA 0.284 4.634 4.350 -0.000 0.000 0.260 117 E C -0.754 175.850 176.600 0.006 0.000 0.908 117 E CA -0.395 56.007 56.400 0.003 0.000 0.814 117 E CB 0.998 30.703 29.700 0.008 0.000 1.302 117 E HN 0.601 nan 8.360 nan 0.000 0.408 118 K N 0.104 120.507 120.400 0.004 0.000 1.779 118 K HA -0.292 4.028 4.320 -0.000 0.000 0.128 118 K C 1.026 177.631 176.600 0.008 0.000 1.288 118 K CA 2.139 58.430 56.287 0.006 0.000 0.398 118 K CB -1.555 30.949 32.500 0.007 0.000 0.609 118 K HN 0.662 nan 8.250 nan 0.000 0.874 119 T N 0.136 114.696 114.554 0.011 0.000 3.148 119 T HA 0.104 4.454 4.350 -0.000 0.000 0.253 119 T C 0.380 175.091 174.700 0.018 0.000 1.134 119 T CA 0.531 62.639 62.100 0.013 0.000 1.051 119 T CB -0.112 68.764 68.868 0.014 0.000 0.959 119 T HN 0.327 nan 8.240 nan 0.000 0.525 120 E N 1.213 121.424 120.200 0.020 0.000 2.232 120 E HA 0.573 4.923 4.350 -0.000 0.000 0.264 120 E C -0.342 176.276 176.600 0.029 0.000 0.973 120 E CA -0.930 55.487 56.400 0.029 0.000 0.849 120 E CB 1.296 31.014 29.700 0.030 0.000 1.198 120 E HN 0.691 nan 8.360 nan 0.000 0.407 121 E N -0.814 119.413 120.200 0.044 0.000 2.430 121 E HA 0.552 4.902 4.350 -0.000 0.000 0.279 121 E C -0.650 175.998 176.600 0.080 0.000 1.003 121 E CA -0.877 55.549 56.400 0.042 0.000 0.801 121 E CB 1.204 30.922 29.700 0.030 0.000 1.313 121 E HN 0.396 nan 8.360 nan 0.000 0.459 122 A N 1.244 124.113 122.820 0.082 0.000 2.123 122 A HA 0.087 4.407 4.320 -0.000 0.000 0.214 122 A C -0.006 177.652 177.584 0.123 0.000 1.152 122 A CA 1.136 53.262 52.037 0.149 0.000 0.728 122 A CB -0.644 18.458 19.000 0.170 0.000 0.814 122 A HN 0.666 nan 8.150 nan 0.000 0.464 123 E N -1.546 118.705 120.200 0.085 0.000 7.552 123 E HA -0.089 4.261 4.350 -0.000 0.000 0.418 123 E C -0.744 175.906 176.600 0.085 0.000 0.537 123 E CA 0.059 56.511 56.400 0.087 0.000 1.114 123 E CB -0.394 29.383 29.700 0.128 0.000 0.948 123 E HN 0.450 nan 8.360 nan 0.000 0.262 124 K N 2.832 123.266 120.400 0.057 0.000 2.315 124 K HA 0.226 4.545 4.320 -0.000 0.000 0.291 124 K C -0.506 176.221 176.600 0.211 0.000 1.074 124 K CA 0.634 56.955 56.287 0.057 0.000 0.936 124 K CB 0.317 32.736 32.500 -0.134 0.000 1.049 124 K HN 0.475 nan 8.250 nan 0.000 0.471 125 T N 1.089 115.815 114.554 0.287 0.000 2.896 125 T HA 0.444 4.794 4.350 -0.000 0.000 0.297 125 T C -2.878 171.806 174.700 -0.028 0.000 1.108 125 T CA -2.099 60.154 62.100 0.253 0.000 1.004 125 T CB 1.936 70.919 68.868 0.192 0.000 1.159 125 T HN 0.305 nan 8.240 nan 0.000 0.499 126 P HA 0.223 nan 4.420 nan 0.000 0.247 126 P C 1.358 178.539 177.300 -0.199 0.000 1.756 126 P CA -0.532 62.251 63.100 -0.528 0.000 1.117 126 P CB 0.207 31.665 31.700 -0.404 0.000 1.869 127 V N 0.386 120.209 119.914 -0.151 0.000 2.809 127 V HA 0.195 4.315 4.120 -0.000 0.000 0.256 127 V C 1.018 176.970 176.094 -0.237 0.000 1.080 127 V CA 0.962 63.135 62.300 -0.212 0.000 1.102 127 V CB -1.903 29.760 31.823 -0.267 0.000 0.705 127 V HN 0.660 nan 8.190 nan 0.000 0.475 128 G N -0.428 108.259 108.800 -0.187 0.000 2.787 128 G HA2 0.126 4.086 3.960 -0.000 0.000 0.685 128 G HA3 0.126 4.086 3.960 -0.000 0.000 0.685 128 G C -0.371 174.389 174.900 -0.234 0.000 1.437 128 G CA 0.096 45.073 45.100 -0.205 0.000 0.872 128 G HN 1.700 nan 8.290 nan 0.000 0.566 129 S N -1.461 114.106 115.700 -0.222 0.000 2.565 129 S HA 0.637 5.107 4.470 -0.000 0.000 0.274 129 S C -0.599 173.846 174.600 -0.259 0.000 1.144 129 S CA 0.130 58.156 58.200 -0.289 0.000 0.849 129 S CB 1.137 64.146 63.200 -0.319 0.000 1.103 129 S HN 1.627 nan 8.310 nan 0.000 0.455 130 c N 3.242 121.663 118.600 -0.299 0.000 2.417 130 c HA 0.721 5.291 4.570 -0.000 0.000 0.324 130 c C -1.033 172.838 174.090 -0.364 0.000 1.240 130 c CA -0.664 55.543 56.329 -0.205 0.000 1.632 130 c CB 0.099 42.551 42.510 -0.097 0.000 2.241 130 c HN 0.746 nan 8.230 nan 0.000 0.499 131 F N 3.128 122.878 119.950 -0.333 0.000 2.404 131 F HA 0.580 5.107 4.527 -0.000 0.000 0.354 131 F C 0.023 175.648 175.800 -0.292 0.000 1.122 131 F CA -0.606 57.141 58.000 -0.423 0.000 1.080 131 F CB 0.621 39.078 39.000 -0.906 0.000 1.131 131 F HN 0.202 nan 8.300 nan 0.000 0.471 132 L N 3.758 124.936 121.223 -0.075 0.000 2.295 132 L HA 0.772 5.112 4.340 -0.000 0.000 0.285 132 L C -0.051 176.971 176.870 0.253 0.000 1.035 132 L CA -0.376 54.460 54.840 -0.006 0.000 0.806 132 L CB 1.408 43.250 42.059 -0.361 0.000 1.214 132 L HN 0.724 nan 8.230 nan 0.000 0.426 133 A N 3.069 126.137 122.820 0.413 0.000 2.393 133 A HA 0.676 4.996 4.320 -0.000 0.000 0.306 133 A C -0.891 176.883 177.584 0.317 0.000 1.050 133 A CA -0.530 51.744 52.037 0.395 0.000 0.724 133 A CB 1.467 20.657 19.000 0.316 0.000 1.248 133 A HN 0.637 nan 8.150 nan 0.000 0.424 134 Q N 3.234 123.173 119.800 0.231 0.000 2.571 134 Q HA 0.343 4.683 4.340 -0.000 0.000 0.243 134 Q C -2.138 173.886 176.000 0.040 0.000 1.055 134 Q CA -1.983 53.880 55.803 0.100 0.000 0.815 134 Q CB 1.212 29.926 28.738 -0.039 0.000 1.151 134 Q HN 0.452 nan 8.270 nan 0.000 0.519 135 P HA -0.189 nan 4.420 nan 0.000 0.216 135 P C 0.117 177.423 177.300 0.009 0.000 1.150 135 P CA 1.359 64.451 63.100 -0.014 0.000 0.843 135 P CB 0.314 31.989 31.700 -0.040 0.000 0.787 136 E N -0.915 119.304 120.200 0.031 0.000 2.478 136 E HA -0.055 4.294 4.350 -0.000 0.000 0.198 136 E C 1.650 178.255 176.600 0.009 0.000 1.046 136 E CA 1.112 57.531 56.400 0.031 0.000 0.870 136 E CB -0.134 29.589 29.700 0.039 0.000 0.818 136 E HN 0.378 nan 8.360 nan 0.000 0.527 137 S N -2.058 113.639 115.700 -0.005 0.000 2.613 137 S HA 0.278 4.748 4.470 -0.000 0.000 0.235 137 S C 1.628 176.226 174.600 -0.003 0.000 1.073 137 S CA 0.362 58.554 58.200 -0.012 0.000 0.899 137 S CB 0.992 64.169 63.200 -0.037 0.000 0.818 137 S HN 0.261 nan 8.310 nan 0.000 0.484 138 G N 1.647 110.448 108.800 0.002 0.000 2.194 138 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.236 138 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.236 138 G C 0.103 175.028 174.900 0.042 0.000 0.987 138 G CA -0.181 44.923 45.100 0.005 0.000 0.635 138 G HN 0.571 nan 8.290 nan 0.000 0.520 139 R N 0.488 121.027 120.500 0.065 0.000 2.623 139 R HA 0.450 4.790 4.340 -0.000 0.000 0.271 139 R C 0.182 176.650 176.300 0.280 0.000 1.043 139 R CA 0.216 56.407 56.100 0.153 0.000 1.083 139 R CB 0.305 30.663 30.300 0.097 0.000 0.974 139 R HN 0.108 nan 8.270 nan 0.000 0.436 140 R N 0.769 121.447 120.500 0.296 0.000 2.628 140 R HA 0.640 4.980 4.340 -0.000 0.000 0.288 140 R C -0.989 175.360 176.300 0.082 0.000 0.980 140 R CA -0.801 55.447 56.100 0.247 0.000 0.891 140 R CB 2.282 32.699 30.300 0.196 0.000 1.188 140 R HN 0.750 nan 8.270 nan 0.000 0.450 141 A N 1.677 124.314 122.820 -0.304 0.000 2.569 141 A HA 0.763 5.083 4.320 -0.000 0.000 0.290 141 A C -1.130 175.884 177.584 -0.950 0.000 1.136 141 A CA -0.656 50.834 52.037 -0.911 0.000 0.710 141 A CB 2.030 20.432 19.000 -0.996 0.000 1.303 141 A HN 0.635 nan 8.150 nan 0.000 0.413 142 E N -1.060 118.392 120.200 -1.246 0.000 2.392 142 E HA 0.573 4.923 4.350 -0.000 0.000 0.269 142 E C -2.180 174.401 176.600 -0.031 0.000 0.924 142 E CA -0.532 55.498 56.400 -0.616 0.000 0.784 142 E CB 2.602 31.954 29.700 -0.581 0.000 1.292 142 E HN 0.530 nan 8.360 nan 0.000 0.447 143 Y N 0.450 120.639 120.300 -0.184 0.000 2.362 143 Y HA 0.373 4.923 4.550 -0.000 0.000 0.326 143 Y C -1.338 174.404 175.900 -0.263 0.000 1.083 143 Y CA -0.623 57.405 58.100 -0.121 0.000 1.073 143 Y CB 1.975 40.340 38.460 -0.159 0.000 1.211 143 Y HN 0.386 nan 8.280 nan 0.000 0.433 144 S N 8.389 123.636 115.700 -0.756 0.000 2.293 144 S HA 0.332 4.802 4.470 -0.000 0.000 0.154 144 S C -2.393 171.664 174.600 -0.904 0.000 1.602 144 S CA -0.994 56.759 58.200 -0.746 0.000 1.260 144 S CB 0.611 63.480 63.200 -0.553 0.000 1.270 144 S HN 0.590 nan 8.310 nan 0.000 0.416 145 P HA 0.190 nan 4.420 nan 0.000 0.241 145 P C 0.767 177.733 177.300 -0.557 0.000 1.191 145 P CA 0.337 62.950 63.100 -0.813 0.000 0.771 145 P CB -0.173 31.053 31.700 -0.790 0.000 0.929 146 c N -0.680 117.595 118.600 -0.542 0.000 2.926 146 c HA 0.260 4.829 4.570 -0.000 0.000 0.272 146 c C 1.310 175.116 174.090 -0.473 0.000 1.249 146 c CA -0.450 55.617 56.329 -0.436 0.000 1.691 146 c CB -1.062 41.208 42.510 -0.399 0.000 1.983 146 c HN 0.178 nan 8.230 nan 0.000 0.615 147 R N 1.328 121.416 120.500 -0.686 0.000 2.585 147 R HA 0.403 4.742 4.340 -0.000 0.000 0.275 147 R C 0.521 176.524 176.300 -0.495 0.000 1.018 147 R CA 0.613 56.124 56.100 -0.982 0.000 1.072 147 R CB 0.228 29.598 30.300 -1.550 0.000 0.953 147 R HN 0.531 nan 8.270 nan 0.000 0.419 148 G N 0.570 109.294 108.800 -0.127 0.000 2.730 148 G HA2 0.228 4.188 3.960 -0.000 0.000 0.289 148 G HA3 0.228 4.188 3.960 -0.000 0.000 0.289 148 G C -0.650 174.447 174.900 0.329 0.000 1.341 148 G CA -0.742 44.416 45.100 0.096 0.000 0.932 148 G HN 0.688 nan 8.290 nan 0.000 0.481 149 N N -1.040 117.783 118.700 0.205 0.000 2.433 149 N HA 0.186 4.926 4.740 -0.000 0.000 0.270 149 N C -0.380 175.200 175.510 0.116 0.000 1.354 149 N CA -0.384 52.779 53.050 0.187 0.000 0.889 149 N CB 0.928 39.500 38.487 0.141 0.000 1.285 149 N HN 0.221 nan 8.380 nan 0.000 0.503 150 T N 1.269 115.905 114.554 0.136 0.000 2.799 150 T HA 0.416 4.765 4.350 -0.000 0.000 0.286 150 T C 0.310 175.094 174.700 0.140 0.000 0.973 150 T CA -0.536 61.586 62.100 0.037 0.000 1.035 150 T CB 1.150 69.921 68.868 -0.162 0.000 0.932 150 T HN 0.127 nan 8.240 nan 0.000 0.469 151 L N 2.081 123.339 121.223 0.059 0.000 2.418 151 L HA 0.236 4.576 4.340 -0.000 0.000 0.265 151 L C 2.082 179.069 176.870 0.195 0.000 1.143 151 L CA -0.353 54.556 54.840 0.114 0.000 0.809 151 L CB 0.742 42.833 42.059 0.053 0.000 1.124 151 L HN 0.719 nan 8.230 nan 0.000 0.456 152 S N 1.708 117.548 115.700 0.234 0.000 2.393 152 S HA -0.301 4.169 4.470 -0.000 0.000 0.234 152 S C 2.057 176.784 174.600 0.210 0.000 1.064 152 S CA 2.336 60.700 58.200 0.275 0.000 1.088 152 S CB -0.222 63.085 63.200 0.178 0.000 0.939 152 S HN 0.721 nan 8.310 nan 0.000 0.448 153 R N 0.176 120.737 120.500 0.102 0.000 2.083 153 R HA -0.085 4.255 4.340 -0.000 0.000 0.237 153 R C 2.147 178.429 176.300 -0.029 0.000 1.137 153 R CA 2.003 58.124 56.100 0.035 0.000 0.951 153 R CB -0.397 29.914 30.300 0.019 0.000 0.851 153 R HN 0.450 nan 8.270 nan 0.000 0.434 154 I N 0.505 121.031 120.570 -0.074 0.000 2.361 154 I HA -0.248 3.921 4.170 -0.000 0.000 0.251 154 I C 1.901 177.871 176.117 -0.246 0.000 1.133 154 I CA 1.336 62.530 61.300 -0.177 0.000 1.413 154 I CB -1.319 36.532 38.000 -0.248 0.000 1.073 154 I HN 0.192 nan 8.210 nan 0.000 0.424 155 Y N 0.873 121.086 120.300 -0.145 0.000 2.145 155 Y HA -0.173 4.377 4.550 -0.000 0.000 0.286 155 Y C 2.738 178.232 175.900 -0.678 0.000 1.145 155 Y CA 1.235 59.161 58.100 -0.289 0.000 1.148 155 Y CB -1.176 37.171 38.460 -0.189 0.000 0.981 155 Y HN -0.111 nan 8.280 nan 0.000 0.507 156 V N 0.260 119.884 119.914 -0.483 0.000 2.287 156 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 156 V C 1.940 177.872 176.094 -0.271 0.000 1.053 156 V CA 2.225 64.207 62.300 -0.529 0.000 1.027 156 V CB -0.624 31.116 31.823 -0.138 0.000 0.646 156 V HN 0.444 nan 8.190 nan 0.000 0.447 157 E N 0.119 120.221 120.200 -0.164 0.000 2.268 157 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 157 E C 1.014 177.564 176.600 -0.082 0.000 0.995 157 E CA 0.701 57.045 56.400 -0.093 0.000 0.836 157 E CB -0.095 29.562 29.700 -0.071 0.000 0.763 157 E HN 0.593 nan 8.360 nan 0.000 0.491 158 N N 1.208 119.841 118.700 -0.113 0.000 2.328 158 N HA -0.004 4.736 4.740 -0.000 0.000 0.247 158 N C -0.878 174.621 175.510 -0.019 0.000 1.165 158 N CA 0.143 53.166 53.050 -0.046 0.000 0.873 158 N CB 0.788 39.261 38.487 -0.023 0.000 1.125 158 N HN -0.002 nan 8.380 nan 0.000 0.513 159 D N 0.658 121.026 120.400 -0.054 0.000 2.751 159 D HA -0.229 4.411 4.640 -0.000 0.000 0.233 159 D C -0.263 176.169 176.300 0.219 0.000 1.149 159 D CA 0.593 54.642 54.000 0.082 0.000 0.682 159 D CB -1.593 39.259 40.800 0.086 0.000 1.068 159 D HN 0.343 nan 8.370 nan 0.000 0.429 160 F N -1.981 118.033 119.950 0.107 0.000 3.093 160 F HA -0.294 4.233 4.527 -0.000 0.000 0.287 160 F C 1.166 177.056 175.800 0.150 0.000 0.882 160 F CA 0.854 58.957 58.000 0.170 0.000 1.063 160 F CB -2.474 36.537 39.000 0.018 0.000 1.097 160 F HN 0.126 nan 8.300 nan 0.000 0.604 161 S N -1.895 113.942 115.700 0.228 0.000 2.565 161 S HA 0.383 4.853 4.470 -0.000 0.000 0.276 161 S C 0.139 174.920 174.600 0.302 0.000 1.326 161 S CA -0.088 58.176 58.200 0.107 0.000 1.045 161 S CB 0.480 63.737 63.200 0.096 0.000 0.918 161 S HN 0.488 nan 8.310 nan 0.000 0.505 162 W N -0.340 121.059 121.300 0.166 0.000 5.121 162 W HA -0.164 4.496 4.660 -0.000 0.000 0.372 162 W C -0.267 176.489 176.519 0.395 0.000 1.394 162 W CA 0.569 58.078 57.345 0.273 0.000 0.885 162 W CB -1.830 27.723 29.460 0.155 0.000 2.520 162 W HN 0.816 nan 8.180 nan 0.000 1.455 163 D N 1.142 121.840 120.400 0.495 0.000 2.393 163 D HA 0.167 4.807 4.640 -0.000 0.000 0.232 163 D C 0.895 177.166 176.300 -0.048 0.000 1.192 163 D CA 0.101 54.238 54.000 0.228 0.000 0.882 163 D CB 0.610 41.556 40.800 0.242 0.000 1.038 163 D HN 0.259 nan 8.370 nan 0.000 0.499 164 K N 2.685 123.001 120.400 -0.140 0.000 2.397 164 K HA 0.164 4.484 4.320 -0.000 0.000 0.202 164 K C 1.544 177.845 176.600 -0.499 0.000 1.022 164 K CA -0.227 55.866 56.287 -0.324 0.000 1.141 164 K CB 0.817 33.183 32.500 -0.224 0.000 0.857 164 K HN 0.221 nan 8.250 nan 0.000 0.514 165 R N 0.067 120.091 120.500 -0.795 0.000 2.193 165 R HA -0.112 4.227 4.340 -0.000 0.000 0.229 165 R C 0.505 176.338 176.300 -0.778 0.000 1.110 165 R CA 1.259 56.855 56.100 -0.840 0.000 0.988 165 R CB -0.008 29.674 30.300 -1.030 0.000 0.871 165 R HN 0.282 nan 8.270 nan 0.000 0.458 166 Y N -2.849 117.249 120.300 -0.337 0.000 2.696 166 Y HA 0.220 4.770 4.550 -0.000 0.000 0.260 166 Y C 1.616 177.320 175.900 -0.327 0.000 1.165 166 Y CA -1.353 56.532 58.100 -0.358 0.000 1.189 166 Y CB -0.835 37.259 38.460 -0.610 0.000 1.180 166 Y HN -0.076 nan 8.280 nan 0.000 0.538 167 c N 0.832 119.265 118.600 -0.279 0.000 2.363 167 c HA -0.286 4.284 4.570 -0.000 0.000 0.274 167 c C 1.321 175.300 174.090 -0.185 0.000 1.183 167 c CA 2.019 58.193 56.329 -0.259 0.000 1.771 167 c CB -0.833 41.494 42.510 -0.304 0.000 2.059 167 c HN 0.731 nan 8.230 nan 0.000 0.455 168 E N -0.779 119.323 120.200 -0.165 0.000 2.287 168 E HA -0.198 4.152 4.350 -0.000 0.000 0.229 168 E C 0.075 176.572 176.600 -0.172 0.000 1.194 168 E CA 0.009 56.319 56.400 -0.151 0.000 0.704 168 E CB -1.422 28.251 29.700 -0.044 0.000 1.216 168 E HN 0.777 nan 8.360 nan 0.000 0.381 169 A N 0.281 122.970 122.820 -0.218 0.000 2.540 169 A HA 0.409 4.729 4.320 -0.000 0.000 0.239 169 A C 1.688 179.156 177.584 -0.194 0.000 1.061 169 A CA 1.010 52.917 52.037 -0.216 0.000 0.758 169 A CB 0.190 19.016 19.000 -0.290 0.000 0.991 169 A HN 1.173 nan 8.150 nan 0.000 0.502 170 G N 0.939 109.651 108.800 -0.146 0.000 2.176 170 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.253 170 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.253 170 G C 0.710 175.515 174.900 -0.160 0.000 0.979 170 G CA 0.825 45.839 45.100 -0.145 0.000 0.641 170 G HN 1.284 nan 8.290 nan 0.000 0.530 171 F N 2.518 122.285 119.950 -0.305 0.000 2.091 171 F HA 0.093 4.620 4.527 -0.000 0.000 0.299 171 F C 1.750 177.395 175.800 -0.258 0.000 1.103 171 F CA 2.411 60.212 58.000 -0.331 0.000 1.228 171 F CB -0.021 38.794 39.000 -0.308 0.000 0.984 171 F HN 0.608 nan 8.300 nan 0.000 0.477 172 S N -0.872 114.855 115.700 0.046 0.000 2.599 172 S HA 0.718 5.188 4.470 -0.000 0.000 0.294 172 S C -0.561 173.990 174.600 -0.082 0.000 1.094 172 S CA -0.046 58.124 58.200 -0.050 0.000 0.931 172 S CB 1.922 65.116 63.200 -0.011 0.000 1.093 172 S HN 0.492 nan 8.310 nan 0.000 0.488 173 S N -0.189 115.455 115.700 -0.093 0.000 2.537 173 S HA 0.794 5.264 4.470 -0.000 0.000 0.271 173 S C -1.334 173.216 174.600 -0.083 0.000 1.148 173 S CA -0.647 57.498 58.200 -0.092 0.000 0.868 173 S CB 1.146 64.297 63.200 -0.081 0.000 1.115 173 S HN 1.925 nan 8.310 nan 0.000 0.461 174 V N 1.350 121.208 119.914 -0.093 0.000 3.120 174 V HA 0.772 4.892 4.120 -0.000 0.000 0.303 174 V C -1.699 174.341 176.094 -0.090 0.000 1.238 174 V CA -0.512 61.746 62.300 -0.070 0.000 1.008 174 V CB 2.129 33.911 31.823 -0.068 0.000 1.064 174 V HN 1.134 nan 8.190 nan 0.000 0.434 175 V N 3.927 123.807 119.914 -0.057 0.000 2.555 175 V HA 0.593 4.713 4.120 -0.000 0.000 0.302 175 V C 0.539 176.572 176.094 -0.102 0.000 1.038 175 V CA -0.016 62.205 62.300 -0.133 0.000 0.887 175 V CB 1.896 33.636 31.823 -0.138 0.000 0.991 175 V HN 1.103 nan 8.190 nan 0.000 0.434 176 T N 0.783 115.245 114.554 -0.152 0.000 2.726 176 T HA 0.113 4.463 4.350 -0.000 0.000 0.294 176 T C 0.928 175.586 174.700 -0.070 0.000 1.013 176 T CA 0.151 62.215 62.100 -0.061 0.000 0.996 176 T CB 0.936 69.786 68.868 -0.029 0.000 1.016 176 T HN 0.699 nan 8.240 nan 0.000 0.529 177 Q N 0.148 119.993 119.800 0.076 0.000 2.172 177 Q HA -0.008 4.332 4.340 -0.000 0.000 0.200 177 Q C 2.375 178.534 176.000 0.266 0.000 0.964 177 Q CA 1.142 57.092 55.803 0.245 0.000 0.855 177 Q CB -0.674 28.176 28.738 0.187 0.000 0.918 177 Q HN 0.907 nan 8.270 nan 0.000 0.444 178 A N -0.224 122.634 122.820 0.063 0.000 2.067 178 A HA 0.084 4.404 4.320 -0.000 0.000 0.219 178 A C 1.544 179.031 177.584 -0.162 0.000 1.158 178 A CA 1.307 53.363 52.037 0.031 0.000 0.661 178 A CB -0.458 18.533 19.000 -0.015 0.000 0.801 178 A HN 0.638 nan 8.150 nan 0.000 0.452 179 G N -1.166 107.255 108.800 -0.633 0.000 2.148 179 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.157 179 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.157 179 G C -0.405 174.052 174.900 -0.738 0.000 1.012 179 G CA 0.043 44.319 45.100 -1.375 0.000 0.677 179 G HN 0.484 nan 8.290 nan 0.000 0.506 180 E N 0.134 120.063 120.200 -0.450 0.000 2.223 180 E HA 0.536 4.885 4.350 -0.000 0.000 0.282 180 E C 0.232 176.650 176.600 -0.304 0.000 1.046 180 E CA -0.579 55.644 56.400 -0.294 0.000 0.857 180 E CB 1.585 31.194 29.700 -0.152 0.000 1.055 180 E HN 0.325 nan 8.360 nan 0.000 0.409 181 L N 4.608 125.656 121.223 -0.291 0.000 2.290 181 L HA 0.311 4.651 4.340 -0.000 0.000 0.284 181 L C -1.175 175.573 176.870 -0.204 0.000 1.078 181 L CA -0.384 54.312 54.840 -0.241 0.000 0.815 181 L CB 0.958 42.871 42.059 -0.244 0.000 1.162 181 L HN 0.308 nan 8.230 nan 0.000 0.435 182 V N 6.750 126.545 119.914 -0.199 0.000 2.448 182 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 182 V C -0.063 175.934 176.094 -0.163 0.000 1.025 182 V CA -0.604 61.557 62.300 -0.230 0.000 0.859 182 V CB 1.486 33.056 31.823 -0.422 0.000 0.988 182 V HN 0.620 nan 8.190 nan 0.000 0.431 183 L N 3.832 124.985 121.223 -0.117 0.000 2.346 183 L HA 0.737 5.077 4.340 -0.000 0.000 0.276 183 L C 0.701 177.497 176.870 -0.123 0.000 1.006 183 L CA -0.572 54.208 54.840 -0.100 0.000 0.817 183 L CB 1.969 43.993 42.059 -0.060 0.000 1.272 183 L HN 0.756 nan 8.230 nan 0.000 0.421 184 G N 1.600 110.332 108.800 -0.114 0.000 2.353 184 G HA2 0.552 4.512 3.960 -0.000 0.000 0.284 184 G HA3 0.552 4.512 3.960 -0.000 0.000 0.284 184 G C -0.367 174.476 174.900 -0.095 0.000 1.172 184 G CA -0.236 44.796 45.100 -0.113 0.000 0.854 184 G HN 0.715 nan 8.290 nan 0.000 0.485 185 A N 4.950 127.701 122.820 -0.116 0.000 2.842 185 A HA 0.655 4.975 4.320 -0.000 0.000 0.339 185 A C -1.405 176.104 177.584 -0.126 0.000 1.177 185 A CA -1.268 50.679 52.037 -0.149 0.000 0.797 185 A CB 1.526 20.407 19.000 -0.198 0.000 1.094 185 A HN 0.462 nan 8.150 nan 0.000 0.474 186 P HA -0.054 nan 4.420 nan 0.000 0.230 186 P C 1.233 178.567 177.300 0.056 0.000 1.158 186 P CA 1.452 64.506 63.100 -0.076 0.000 0.769 186 P CB 0.218 31.699 31.700 -0.365 0.000 0.807 187 G N -0.197 108.568 108.800 -0.059 0.000 2.985 187 G HA2 0.178 4.138 3.960 -0.000 0.000 0.209 187 G HA3 0.178 4.138 3.960 -0.000 0.000 0.209 187 G C 0.834 175.609 174.900 -0.209 0.000 1.165 187 G CA 0.020 45.090 45.100 -0.050 0.000 0.776 187 G HN 0.383 nan 8.290 nan 0.000 0.541 188 G N -0.846 107.854 108.800 -0.168 0.000 2.544 188 G HA2 0.319 4.278 3.960 -0.000 0.000 0.242 188 G HA3 0.319 4.278 3.960 -0.000 0.000 0.242 188 G C 0.000 174.796 174.900 -0.173 0.000 1.247 188 G CA -0.457 44.446 45.100 -0.328 0.000 0.840 188 G HN 0.360 nan 8.290 nan 0.000 0.578 189 Y N -0.972 119.295 120.300 -0.055 0.000 3.001 189 Y HA -0.226 4.324 4.550 -0.000 0.000 0.199 189 Y C 0.718 176.669 175.900 0.085 0.000 1.320 189 Y CA 0.666 58.760 58.100 -0.011 0.000 0.974 189 Y CB -2.810 35.606 38.460 -0.072 0.000 1.291 189 Y HN 0.824 nan 8.280 nan 0.000 0.465 190 Y N -0.941 119.384 120.300 0.041 0.000 3.027 190 Y HA -0.235 4.315 4.550 -0.000 0.000 0.195 190 Y C 0.774 176.698 175.900 0.040 0.000 1.381 190 Y CA 1.044 59.132 58.100 -0.019 0.000 1.015 190 Y CB -1.741 36.745 38.460 0.044 0.000 1.329 190 Y HN 0.466 nan 8.280 nan 0.000 0.462 191 F N -2.892 117.191 119.950 0.222 0.000 2.794 191 F HA -0.429 4.098 4.527 -0.000 0.000 0.335 191 F C 1.584 177.555 175.800 0.284 0.000 0.653 191 F CA 0.916 59.071 58.000 0.258 0.000 1.266 191 F CB -1.932 37.218 39.000 0.251 0.000 1.666 191 F HN 0.398 nan 8.300 nan 0.000 0.314 192 L N 0.124 121.567 121.223 0.367 0.000 2.027 192 L HA 0.346 4.686 4.340 -0.000 0.000 0.206 192 L C 1.414 178.526 176.870 0.403 0.000 1.074 192 L CA 1.739 56.797 54.840 0.363 0.000 0.745 192 L CB -0.353 41.904 42.059 0.330 0.000 0.898 192 L HN 0.591 nan 8.230 nan 0.000 0.433 193 G N -0.530 108.472 108.800 0.337 0.000 2.576 193 G HA2 0.193 4.153 3.960 -0.000 0.000 0.686 193 G HA3 0.193 4.153 3.960 -0.000 0.000 0.686 193 G C -1.504 173.609 174.900 0.355 0.000 1.242 193 G CA -0.326 44.985 45.100 0.352 0.000 0.819 193 G HN 0.633 nan 8.290 nan 0.000 0.655 194 L N -1.198 120.170 121.223 0.241 0.000 2.568 194 L HA 1.004 5.344 4.340 -0.000 0.000 0.257 194 L C -1.331 175.600 176.870 0.101 0.000 1.024 194 L CA -1.403 53.563 54.840 0.210 0.000 0.854 194 L CB 1.542 43.453 42.059 -0.247 0.000 1.460 194 L HN 0.799 nan 8.230 nan 0.000 0.409 195 L N 1.653 122.903 121.223 0.044 0.000 2.346 195 L HA 0.955 5.295 4.340 -0.000 0.000 0.274 195 L C -0.227 176.551 176.870 -0.153 0.000 1.007 195 L CA -0.271 54.507 54.840 -0.104 0.000 0.818 195 L CB 1.841 43.847 42.059 -0.087 0.000 1.284 195 L HN 1.008 nan 8.230 nan 0.000 0.424 196 A N 3.334 126.103 122.820 -0.085 0.000 2.319 196 A HA 0.704 5.024 4.320 -0.000 0.000 0.310 196 A C -0.976 176.644 177.584 0.061 0.000 1.152 196 A CA -0.487 51.543 52.037 -0.012 0.000 0.783 196 A CB 1.252 20.221 19.000 -0.052 0.000 1.184 196 A HN 0.563 nan 8.150 nan 0.000 0.474 197 Q N 1.534 121.398 119.800 0.107 0.000 2.345 197 Q HA 0.780 5.120 4.340 -0.000 0.000 0.268 197 Q C -1.242 174.747 176.000 -0.018 0.000 1.054 197 Q CA -0.455 55.362 55.803 0.023 0.000 0.835 197 Q CB 2.097 30.869 28.738 0.055 0.000 1.339 197 Q HN 1.358 nan 8.270 nan 0.000 0.447 198 A N 4.211 126.930 122.820 -0.168 0.000 2.565 198 A HA 0.569 4.889 4.320 -0.000 0.000 0.298 198 A C -2.809 174.609 177.584 -0.276 0.000 1.062 198 A CA -1.117 50.772 52.037 -0.247 0.000 0.723 198 A CB 1.453 20.159 19.000 -0.490 0.000 1.282 198 A HN 0.539 nan 8.150 nan 0.000 0.400 199 P HA 0.159 nan 4.420 nan 0.000 0.265 199 P C 1.156 178.347 177.300 -0.183 0.000 1.193 199 P CA 0.011 63.000 63.100 -0.184 0.000 0.765 199 P CB 0.725 32.363 31.700 -0.102 0.000 0.823 200 V N 3.625 123.421 119.914 -0.197 0.000 2.343 200 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 200 V C 2.335 178.520 176.094 0.151 0.000 1.051 200 V CA 2.670 64.938 62.300 -0.054 0.000 1.036 200 V CB -1.515 30.296 31.823 -0.020 0.000 0.654 200 V HN 0.656 nan 8.190 nan 0.000 0.451 201 A N 0.011 122.902 122.820 0.117 0.000 1.908 201 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 201 A C 1.959 179.637 177.584 0.156 0.000 1.181 201 A CA 2.171 54.308 52.037 0.167 0.000 0.627 201 A CB -0.585 18.478 19.000 0.105 0.000 0.818 201 A HN 0.551 nan 8.150 nan 0.000 0.445 202 D N -0.318 120.127 120.400 0.076 0.000 2.234 202 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 202 D C 1.803 178.158 176.300 0.093 0.000 0.962 202 D CA 0.638 54.682 54.000 0.074 0.000 0.855 202 D CB -0.272 40.546 40.800 0.030 0.000 0.951 202 D HN 0.523 nan 8.370 nan 0.000 0.500 203 I N -0.052 120.531 120.570 0.022 0.000 2.226 203 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 203 I C 1.968 178.113 176.117 0.047 0.000 1.100 203 I CA 0.835 62.131 61.300 -0.007 0.000 1.374 203 I CB -0.154 37.698 38.000 -0.247 0.000 1.057 203 I HN -0.105 nan 8.210 nan 0.000 0.413 204 F N 1.115 121.099 119.950 0.057 0.000 2.146 204 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 204 F C 2.921 178.772 175.800 0.086 0.000 1.096 204 F CA 1.815 59.858 58.000 0.072 0.000 1.275 204 F CB -0.515 38.521 39.000 0.060 0.000 1.008 204 F HN 0.116 nan 8.300 nan 0.000 0.480 205 S N -1.474 114.380 115.700 0.258 0.000 2.496 205 S HA -0.063 4.407 4.470 -0.000 0.000 0.224 205 S C 1.686 176.357 174.600 0.119 0.000 0.996 205 S CA 0.689 58.988 58.200 0.165 0.000 0.927 205 S CB -0.650 62.626 63.200 0.126 0.000 0.774 205 S HN 0.311 nan 8.310 nan 0.000 0.524 206 S N -0.742 115.043 115.700 0.143 0.000 2.540 206 S HA 0.262 4.732 4.470 -0.000 0.000 0.218 206 S C 0.011 174.553 174.600 -0.096 0.000 0.977 206 S CA -0.748 57.529 58.200 0.128 0.000 0.918 206 S CB -0.637 62.742 63.200 0.297 0.000 0.806 206 S HN 0.590 nan 8.310 nan 0.000 0.496 207 Y N 3.157 123.291 120.300 -0.277 0.000 2.326 207 Y HA 0.641 5.191 4.550 -0.000 0.000 0.337 207 Y C -0.085 175.553 175.900 -0.437 0.000 1.023 207 Y CA -0.848 56.861 58.100 -0.650 0.000 1.143 207 Y CB 0.570 38.737 38.460 -0.489 0.000 1.183 207 Y HN -0.001 nan 8.280 nan 0.000 0.485 208 R N 6.159 125.869 120.500 -1.317 0.000 2.744 208 R HA 0.429 4.769 4.340 -0.000 0.000 0.279 208 R C -2.983 172.557 176.300 -1.266 0.000 0.977 208 R CA -2.453 53.053 56.100 -0.990 0.000 0.906 208 R CB 1.327 31.334 30.300 -0.488 0.000 1.197 208 R HN 0.533 nan 8.270 nan 0.000 0.463 209 P HA 0.178 nan 4.420 nan 0.000 0.275 209 P C 0.683 177.827 177.300 -0.259 0.000 1.227 209 P CA 0.364 63.221 63.100 -0.404 0.000 0.781 209 P CB 0.647 32.283 31.700 -0.106 0.000 0.906 210 G N 2.010 110.723 108.800 -0.146 0.000 2.195 210 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.246 210 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.246 210 G C 0.841 175.715 174.900 -0.044 0.000 0.984 210 G CA 0.097 45.159 45.100 -0.063 0.000 0.633 210 G HN 0.444 nan 8.290 nan 0.000 0.525 211 I N 0.435 120.941 120.570 -0.107 0.000 2.333 211 I HA 0.118 4.288 4.170 -0.000 0.000 0.246 211 I C 2.690 178.900 176.117 0.155 0.000 1.106 211 I CA 1.986 63.275 61.300 -0.018 0.000 1.411 211 I CB -1.001 36.935 38.000 -0.106 0.000 1.082 211 I HN 0.486 nan 8.210 nan 0.000 0.420 212 L N -1.380 120.001 121.223 0.264 0.000 3.417 212 L HA -0.296 4.044 4.340 -0.000 0.000 0.368 212 L C 0.508 177.577 176.870 0.332 0.000 0.810 212 L CA 1.151 56.230 54.840 0.399 0.000 3.108 212 L CB -1.313 40.979 42.059 0.387 0.000 0.687 212 L HN 0.124 nan 8.230 nan 0.000 0.756 213 L N 0.290 121.666 121.223 0.254 0.000 2.324 213 L HA 0.429 4.769 4.340 -0.000 0.000 0.274 213 L C -0.534 176.371 176.870 0.059 0.000 1.012 213 L CA -0.386 54.456 54.840 0.003 0.000 0.859 213 L CB 0.921 42.981 42.059 0.002 0.000 1.224 213 L HN 0.331 nan 8.230 nan 0.000 0.429 214 W N 2.473 123.637 121.300 -0.227 0.000 2.975 214 W HA 0.532 5.192 4.660 -0.000 0.000 0.342 214 W C -0.992 175.364 176.519 -0.272 0.000 1.168 214 W CA -0.904 56.300 57.345 -0.235 0.000 1.141 214 W CB 0.685 30.086 29.460 -0.098 0.000 1.445 214 W HN 0.162 nan 8.180 nan 0.000 0.560 215 H N 1.160 120.312 119.070 0.137 0.000 2.489 215 H HA 0.448 5.004 4.556 -0.000 0.000 0.322 215 H C -0.684 174.723 175.328 0.132 0.000 1.091 215 H CA -0.640 55.427 56.048 0.032 0.000 1.291 215 H CB 1.967 31.761 29.762 0.054 0.000 1.436 215 H HN 0.310 nan 8.280 nan 0.000 0.480 216 V N 3.795 123.808 119.914 0.165 0.000 2.257 216 V HA -0.019 4.101 4.120 -0.000 0.000 0.269 216 V C 1.446 177.612 176.094 0.120 0.000 1.040 216 V CA -0.281 62.127 62.300 0.180 0.000 0.813 216 V CB 0.757 32.692 31.823 0.187 0.000 1.065 216 V HN 0.882 nan 8.190 nan 0.000 0.457 217 S N 2.653 118.419 115.700 0.109 0.000 2.419 217 S HA -0.178 4.292 4.470 -0.000 0.000 0.235 217 S C 1.812 176.437 174.600 0.043 0.000 1.019 217 S CA 1.522 59.758 58.200 0.061 0.000 0.982 217 S CB -0.309 62.917 63.200 0.044 0.000 0.789 217 S HN 0.852 nan 8.310 nan 0.000 0.490 218 S N 1.227 116.951 115.700 0.040 0.000 2.603 218 S HA 0.065 4.535 4.470 -0.000 0.000 0.220 218 S C 0.754 175.361 174.600 0.011 0.000 0.967 218 S CA -0.342 57.867 58.200 0.016 0.000 0.920 218 S CB -0.670 62.531 63.200 0.002 0.000 0.773 218 S HN 0.865 nan 8.310 nan 0.000 0.529 219 Q N 1.140 120.960 119.800 0.034 0.000 2.394 219 Q HA 0.527 4.867 4.340 -0.000 0.000 0.248 219 Q C -0.630 175.406 176.000 0.061 0.000 0.992 219 Q CA -0.361 55.472 55.803 0.050 0.000 0.888 219 Q CB 0.715 29.520 28.738 0.112 0.000 1.257 219 Q HN 0.090 nan 8.270 nan 0.000 0.462 220 S N 2.468 118.222 115.700 0.090 0.000 2.733 220 S HA 0.513 4.983 4.470 -0.000 0.000 0.294 220 S C -1.444 173.275 174.600 0.198 0.000 1.149 220 S CA -0.724 57.563 58.200 0.145 0.000 1.034 220 S CB 0.698 63.982 63.200 0.139 0.000 1.015 220 S HN 0.529 nan 8.310 nan 0.000 0.486 221 L N 3.763 125.024 121.223 0.064 0.000 2.334 221 L HA 0.613 4.953 4.340 -0.000 0.000 0.272 221 L C 0.975 177.559 176.870 -0.478 0.000 1.020 221 L CA -0.069 54.700 54.840 -0.118 0.000 0.812 221 L CB 1.752 43.779 42.059 -0.053 0.000 1.264 221 L HN 0.813 nan 8.230 nan 0.000 0.439 222 S N 0.739 115.959 115.700 -0.799 0.000 2.625 222 S HA 0.559 5.029 4.470 -0.000 0.000 0.258 222 S C -0.214 174.059 174.600 -0.545 0.000 1.256 222 S CA -0.327 57.255 58.200 -1.030 0.000 0.983 222 S CB 0.254 63.069 63.200 -0.642 0.000 1.032 222 S HN 0.204 nan 8.310 nan 0.000 0.572 223 F N -0.279 119.677 119.950 0.010 0.000 2.556 223 F HA 0.508 5.035 4.527 -0.000 0.000 0.327 223 F C 0.486 175.913 175.800 -0.622 0.000 1.059 223 F CA -1.035 56.901 58.000 -0.106 0.000 0.953 223 F CB 1.129 40.092 39.000 -0.061 0.000 1.227 223 F HN 0.542 nan 8.300 nan 0.000 0.478 224 D N 0.382 120.062 120.400 -1.201 0.000 2.294 224 D HA 0.457 5.097 4.640 -0.000 0.000 0.250 224 D C -0.946 174.892 176.300 -0.770 0.000 1.058 224 D CA 0.090 53.199 54.000 -1.485 0.000 0.950 224 D CB 1.741 41.121 40.800 -2.367 0.000 1.158 224 D HN 0.442 nan 8.370 nan 0.000 0.453 225 S N -0.242 115.159 115.700 -0.498 0.000 2.564 225 S HA 0.440 4.910 4.470 -0.000 0.000 0.274 225 S C -0.227 174.316 174.600 -0.096 0.000 1.124 225 S CA -0.418 57.596 58.200 -0.311 0.000 0.869 225 S CB 1.027 63.991 63.200 -0.392 0.000 1.105 225 S HN 0.390 nan 8.310 nan 0.000 0.472 226 S N 2.208 117.866 115.700 -0.070 0.000 2.574 226 S HA 0.253 4.723 4.470 -0.000 0.000 0.242 226 S C 0.028 174.565 174.600 -0.105 0.000 0.982 226 S CA -0.476 57.763 58.200 0.064 0.000 0.977 226 S CB -0.472 62.748 63.200 0.034 0.000 0.814 226 S HN 0.571 nan 8.310 nan 0.000 0.464 227 N N 3.139 121.699 118.700 -0.233 0.000 2.401 227 N HA 0.331 5.071 4.740 -0.000 0.000 0.255 227 N C -2.030 173.037 175.510 -0.739 0.000 1.110 227 N CA -2.160 50.715 53.050 -0.293 0.000 0.949 227 N CB 1.325 39.772 38.487 -0.066 0.000 1.110 227 N HN -0.010 nan 8.380 nan 0.000 0.490 228 P HA -0.119 nan 4.420 nan 0.000 0.219 228 P C 0.571 177.208 177.300 -1.106 0.000 1.146 228 P CA 1.176 63.524 63.100 -1.253 0.000 0.808 228 P CB 0.349 31.813 31.700 -0.394 0.000 0.779 229 E N -1.782 117.997 120.200 -0.702 0.000 2.160 229 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 229 E C 1.267 177.196 176.600 -1.120 0.000 0.991 229 E CA 1.045 56.896 56.400 -0.915 0.000 0.810 229 E CB -0.437 28.860 29.700 -0.672 0.000 0.742 229 E HN 0.427 nan 8.360 nan 0.000 0.466 230 Y N -0.689 119.239 120.300 -0.621 0.000 2.523 230 Y HA 0.087 4.637 4.550 -0.000 0.000 0.279 230 Y C 0.483 176.326 175.900 -0.095 0.000 1.139 230 Y CA -0.089 57.875 58.100 -0.227 0.000 1.296 230 Y CB 0.187 38.626 38.460 -0.036 0.000 1.045 230 Y HN -0.105 nan 8.280 nan 0.000 0.538 231 F N 1.973 121.779 119.950 -0.240 0.000 2.578 231 F HA -0.051 4.476 4.527 -0.000 0.000 0.376 231 F C 0.693 176.332 175.800 -0.268 0.000 1.085 231 F CA -0.261 57.615 58.000 -0.206 0.000 1.260 231 F CB 0.372 39.207 39.000 -0.274 0.000 1.095 231 F HN 0.231 nan 8.300 nan 0.000 0.573 232 D N 2.173 122.613 120.400 0.067 0.000 2.811 232 D HA -0.179 4.461 4.640 -0.000 0.000 0.231 232 D C 1.224 177.241 176.300 -0.472 0.000 1.157 232 D CA 0.876 54.771 54.000 -0.175 0.000 0.716 232 D CB -1.230 39.430 40.800 -0.233 0.000 1.077 232 D HN 0.874 nan 8.370 nan 0.000 0.428 233 G N -0.604 108.107 108.800 -0.149 0.000 2.777 233 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.211 233 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.211 233 G C 0.468 175.429 174.900 0.102 0.000 1.149 233 G CA -0.035 45.038 45.100 -0.044 0.000 0.785 233 G HN 0.327 nan 8.290 nan 0.000 0.536 234 Y N -2.479 117.969 120.300 0.247 0.000 3.389 234 Y HA -0.160 4.390 4.550 -0.000 0.000 0.213 234 Y C 0.506 176.560 175.900 0.258 0.000 1.272 234 Y CA -0.664 57.571 58.100 0.226 0.000 1.444 234 Y CB -2.578 36.001 38.460 0.198 0.000 1.445 234 Y HN 0.441 nan 8.280 nan 0.000 0.583 235 W N 1.876 123.334 121.300 0.262 0.000 2.607 235 W HA 0.383 5.043 4.660 -0.000 0.000 0.336 235 W C 1.197 177.790 176.519 0.123 0.000 1.439 235 W CA 2.064 59.526 57.345 0.195 0.000 1.346 235 W CB 0.100 29.708 29.460 0.247 0.000 1.425 235 W HN 0.668 nan 8.180 nan 0.000 0.565 236 G N 3.945 112.658 108.800 -0.146 0.000 2.168 236 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.197 236 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.197 236 G C 0.532 175.411 174.900 -0.035 0.000 0.997 236 G CA 0.041 45.035 45.100 -0.177 0.000 0.658 236 G HN 0.632 nan 8.290 nan 0.000 0.513 237 Y N 2.148 122.399 120.300 -0.082 0.000 2.207 237 Y HA 0.124 4.673 4.550 -0.000 0.000 0.287 237 Y C 1.783 177.748 175.900 0.109 0.000 1.156 237 Y CA 2.512 60.615 58.100 0.005 0.000 1.182 237 Y CB 0.197 38.704 38.460 0.079 0.000 0.979 237 Y HN 0.697 nan 8.280 nan 0.000 0.521 238 S N -1.250 114.542 115.700 0.153 0.000 2.595 238 S HA 0.681 5.151 4.470 -0.000 0.000 0.281 238 S C -1.284 173.266 174.600 -0.084 0.000 1.117 238 S CA -0.595 57.616 58.200 0.019 0.000 0.873 238 S CB 2.070 65.276 63.200 0.009 0.000 1.108 238 S HN 0.050 nan 8.310 nan 0.000 0.477 239 V N -0.079 119.776 119.914 -0.100 0.000 3.048 239 V HA 0.921 5.041 4.120 -0.000 0.000 0.303 239 V C -1.131 174.907 176.094 -0.093 0.000 1.214 239 V CA 0.223 62.443 62.300 -0.133 0.000 0.984 239 V CB 1.737 33.461 31.823 -0.165 0.000 1.054 239 V HN 1.893 nan 8.190 nan 0.000 0.430 240 A N 3.683 126.461 122.820 -0.070 0.000 2.601 240 A HA 0.920 5.240 4.320 -0.000 0.000 0.291 240 A C -1.227 176.389 177.584 0.053 0.000 1.075 240 A CA 0.038 52.064 52.037 -0.019 0.000 0.671 240 A CB 1.751 20.746 19.000 -0.009 0.000 1.277 240 A HN 2.082 nan 8.150 nan 0.000 0.417 241 V N -1.645 118.319 119.914 0.083 0.000 2.864 241 V HA 1.071 5.191 4.120 -0.000 0.000 0.314 241 V C 0.157 176.338 176.094 0.145 0.000 1.073 241 V CA 0.212 62.615 62.300 0.172 0.000 0.956 241 V CB 1.255 33.180 31.823 0.170 0.000 1.023 241 V HN 2.437 nan 8.190 nan 0.000 0.435 242 G N 1.529 110.461 108.800 0.220 0.000 2.489 242 G HA2 0.551 4.511 3.960 -0.000 0.000 0.305 242 G HA3 0.551 4.511 3.960 -0.000 0.000 0.305 242 G C -1.879 173.133 174.900 0.187 0.000 1.311 242 G CA -0.392 44.800 45.100 0.154 0.000 0.813 242 G HN 1.055 nan 8.290 nan 0.000 0.480 243 E N -0.376 119.851 120.200 0.045 0.000 2.141 243 E HA 0.694 5.044 4.350 -0.000 0.000 0.259 243 E C -1.065 175.305 176.600 -0.383 0.000 0.883 243 E CA -0.716 55.642 56.400 -0.069 0.000 0.744 243 E CB 0.754 30.404 29.700 -0.084 0.000 1.150 243 E HN 0.265 nan 8.360 nan 0.000 0.420 244 F N 1.897 121.919 119.950 0.119 0.000 2.856 244 F HA 0.181 4.708 4.527 -0.000 0.000 0.338 244 F C 0.981 176.864 175.800 0.138 0.000 1.100 244 F CA -0.240 57.843 58.000 0.137 0.000 1.150 244 F CB 0.904 40.008 39.000 0.173 0.000 1.101 244 F HN 0.441 nan 8.300 nan 0.000 0.548 245 D N -1.053 119.472 120.400 0.207 0.000 2.433 245 D HA 0.214 4.854 4.640 -0.000 0.000 0.211 245 D C 1.804 178.151 176.300 0.079 0.000 1.114 245 D CA 0.740 54.822 54.000 0.137 0.000 0.837 245 D CB 0.237 41.090 40.800 0.088 0.000 0.984 245 D HN 0.218 nan 8.370 nan 0.000 0.505 246 G N 0.841 109.672 108.800 0.052 0.000 2.184 246 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.264 246 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.264 246 G C -0.247 174.658 174.900 0.008 0.000 0.975 246 G CA 0.333 45.445 45.100 0.021 0.000 0.642 246 G HN 0.601 nan 8.290 nan 0.000 0.536 247 D N 0.307 120.715 120.400 0.013 0.000 2.441 247 D HA 0.513 5.153 4.640 -0.000 0.000 0.231 247 D C 1.759 178.060 176.300 0.002 0.000 1.073 247 D CA -0.752 53.252 54.000 0.007 0.000 0.850 247 D CB 0.324 41.131 40.800 0.012 0.000 1.062 247 D HN 0.073 nan 8.370 nan 0.000 0.524 248 L N 3.030 124.250 121.223 -0.006 0.000 2.353 248 L HA -0.075 4.265 4.340 -0.000 0.000 0.220 248 L C 1.794 178.665 176.870 0.001 0.000 1.133 248 L CA 0.445 55.281 54.840 -0.007 0.000 0.798 248 L CB -0.382 41.669 42.059 -0.013 0.000 0.922 248 L HN 0.399 nan 8.230 nan 0.000 0.445 249 N N 0.052 118.754 118.700 0.003 0.000 2.244 249 N HA -0.097 4.643 4.740 -0.000 0.000 0.183 249 N C 0.814 176.326 175.510 0.003 0.000 1.016 249 N CA 1.117 54.171 53.050 0.006 0.000 0.866 249 N CB 0.143 38.635 38.487 0.009 0.000 0.980 249 N HN 0.384 nan 8.380 nan 0.000 0.430 250 T N -3.176 111.378 114.554 0.001 0.000 2.943 250 T HA 0.544 4.894 4.350 -0.000 0.000 0.284 250 T C -0.123 174.561 174.700 -0.026 0.000 1.015 250 T CA -0.798 61.293 62.100 -0.014 0.000 1.042 250 T CB 1.712 70.578 68.868 -0.005 0.000 1.055 250 T HN -0.111 nan 8.240 nan 0.000 0.500 251 T N 2.043 116.552 114.554 -0.076 0.000 2.856 251 T HA 0.583 4.933 4.350 -0.000 0.000 0.283 251 T C -0.768 173.816 174.700 -0.194 0.000 1.008 251 T CA -0.675 61.380 62.100 -0.075 0.000 0.997 251 T CB 1.550 70.393 68.868 -0.042 0.000 0.992 251 T HN 0.673 nan 8.240 nan 0.000 0.454 252 E N 1.185 121.350 120.200 -0.057 0.000 2.195 252 E HA 0.525 4.875 4.350 -0.000 0.000 0.271 252 E C -1.223 175.421 176.600 0.073 0.000 0.923 252 E CA -0.619 55.750 56.400 -0.052 0.000 0.790 252 E CB 0.908 30.726 29.700 0.197 0.000 1.155 252 E HN 0.443 nan 8.360 nan 0.000 0.402 253 Y N 0.386 120.730 120.300 0.073 0.000 2.387 253 Y HA 0.474 5.024 4.550 -0.000 0.000 0.336 253 Y C -0.111 175.788 175.900 -0.002 0.000 1.067 253 Y CA -1.369 56.752 58.100 0.036 0.000 1.114 253 Y CB 1.058 39.537 38.460 0.032 0.000 1.208 253 Y HN 0.161 nan 8.280 nan 0.000 0.458 254 V N 4.385 124.372 119.914 0.122 0.000 2.370 254 V HA 0.522 4.642 4.120 -0.000 0.000 0.283 254 V C -0.409 175.620 176.094 -0.109 0.000 1.023 254 V CA -0.826 61.454 62.300 -0.034 0.000 0.857 254 V CB 1.258 33.044 31.823 -0.063 0.000 0.985 254 V HN 0.530 nan 8.190 nan 0.000 0.443 255 V N 3.451 123.248 119.914 -0.195 0.000 2.555 255 V HA 0.766 4.886 4.120 -0.000 0.000 0.302 255 V C 0.626 176.518 176.094 -0.338 0.000 1.038 255 V CA -0.471 61.593 62.300 -0.393 0.000 0.887 255 V CB 2.032 33.341 31.823 -0.857 0.000 0.991 255 V HN 0.924 nan 8.190 nan 0.000 0.434 256 G N 2.517 111.151 108.800 -0.276 0.000 2.335 256 G HA2 0.616 4.576 3.960 -0.000 0.000 0.314 256 G HA3 0.616 4.576 3.960 -0.000 0.000 0.314 256 G C -0.252 174.594 174.900 -0.090 0.000 1.129 256 G CA -0.222 44.783 45.100 -0.158 0.000 0.912 256 G HN 1.129 nan 8.290 nan 0.000 0.443 257 A N 5.073 127.886 122.820 -0.012 0.000 2.802 257 A HA 0.664 4.984 4.320 -0.000 0.000 0.344 257 A C -1.406 176.227 177.584 0.082 0.000 1.215 257 A CA -1.351 50.769 52.037 0.139 0.000 0.821 257 A CB 1.428 20.635 19.000 0.344 0.000 1.099 257 A HN 0.454 nan 8.150 nan 0.000 0.479 258 P HA -0.064 nan 4.420 nan 0.000 0.229 258 P C 0.903 177.980 177.300 -0.371 0.000 1.160 258 P CA 1.459 64.363 63.100 -0.327 0.000 0.777 258 P CB 0.063 31.253 31.700 -0.850 0.000 0.814 259 T N -6.666 107.740 114.554 -0.247 0.000 3.228 259 T HA 0.151 4.501 4.350 -0.000 0.000 0.278 259 T C -0.085 174.556 174.700 -0.100 0.000 1.014 259 T CA -0.793 61.185 62.100 -0.204 0.000 0.904 259 T CB -0.930 67.741 68.868 -0.328 0.000 1.110 259 T HN -0.050 nan 8.240 nan 0.000 0.541 260 W N 2.465 123.668 121.300 -0.161 0.000 2.170 260 W HA 0.400 5.060 4.660 -0.000 0.000 0.342 260 W C 0.717 177.141 176.519 -0.158 0.000 1.294 260 W CA 1.000 58.240 57.345 -0.174 0.000 1.246 260 W CB 0.317 29.696 29.460 -0.136 0.000 1.156 260 W HN 0.341 nan 8.180 nan 0.000 0.572 261 S N 6.674 121.694 115.700 -1.134 0.000 3.386 261 S HA -0.248 4.222 4.470 -0.000 0.000 0.403 261 S C 0.072 174.614 174.600 -0.097 0.000 0.893 261 S CA 0.859 58.545 58.200 -0.857 0.000 1.336 261 S CB -1.462 61.076 63.200 -1.103 0.000 0.925 261 S HN 0.961 nan 8.310 nan 0.000 0.589 262 W N 0.415 121.534 121.300 -0.303 0.000 5.963 262 W HA -0.342 4.317 4.660 -0.000 0.000 0.400 262 W C 1.283 177.738 176.519 -0.107 0.000 1.530 262 W CA 1.350 58.593 57.345 -0.169 0.000 1.004 262 W CB -3.078 26.293 29.460 -0.150 0.000 2.706 262 W HN 1.784 nan 8.180 nan 0.000 1.495 263 T N -4.935 109.627 114.554 0.012 0.000 6.157 263 T HA -0.378 3.972 4.350 -0.000 0.000 0.281 263 T C 0.771 175.522 174.700 0.086 0.000 2.039 263 T CA 1.375 63.498 62.100 0.039 0.000 3.312 263 T CB -1.708 67.207 68.868 0.080 0.000 1.589 263 T HN 0.359 nan 8.240 nan 0.000 1.129 264 L N 1.623 122.906 121.223 0.100 0.000 2.093 264 L HA 0.479 4.819 4.340 -0.000 0.000 0.208 264 L C 1.552 178.507 176.870 0.142 0.000 1.085 264 L CA 2.766 57.675 54.840 0.116 0.000 0.755 264 L CB -0.856 41.278 42.059 0.124 0.000 0.904 264 L HN 1.638 nan 8.230 nan 0.000 0.435 265 G N -1.322 107.605 108.800 0.212 0.000 2.712 265 G HA2 0.361 4.321 3.960 -0.000 0.000 0.686 265 G HA3 0.361 4.321 3.960 -0.000 0.000 0.686 265 G C -0.628 174.468 174.900 0.326 0.000 1.321 265 G CA -0.313 44.943 45.100 0.259 0.000 0.813 265 G HN 1.207 nan 8.290 nan 0.000 0.599 266 A N -0.427 122.579 122.820 0.310 0.000 2.599 266 A HA 0.903 5.223 4.320 -0.000 0.000 0.294 266 A C -0.820 176.806 177.584 0.070 0.000 1.055 266 A CA 0.143 52.240 52.037 0.099 0.000 0.683 266 A CB 1.813 20.486 19.000 -0.545 0.000 1.278 266 A HN 2.150 nan 8.150 nan 0.000 0.412 267 V N 1.384 121.326 119.914 0.046 0.000 2.656 267 V HA 0.560 4.680 4.120 -0.000 0.000 0.307 267 V C -0.316 175.698 176.094 -0.133 0.000 1.051 267 V CA -0.412 61.828 62.300 -0.102 0.000 0.893 267 V CB 1.788 33.500 31.823 -0.184 0.000 0.999 267 V HN 0.934 nan 8.190 nan 0.000 0.426 268 E N 3.850 123.990 120.200 -0.101 0.000 2.227 268 E HA 0.629 4.979 4.350 -0.000 0.000 0.268 268 E C -1.304 175.275 176.600 -0.036 0.000 0.907 268 E CA -0.755 55.630 56.400 -0.025 0.000 0.786 268 E CB 2.953 32.756 29.700 0.171 0.000 1.191 268 E HN 0.513 nan 8.360 nan 0.000 0.411 269 I N 3.676 124.231 120.570 -0.024 0.000 2.362 269 I HA 0.350 4.520 4.170 -0.000 0.000 0.289 269 I C -0.705 175.436 176.117 0.040 0.000 0.994 269 I CA -0.487 60.791 61.300 -0.038 0.000 1.158 269 I CB 0.720 38.665 38.000 -0.092 0.000 1.315 269 I HN 0.236 nan 8.210 nan 0.000 0.451 270 L N 4.838 126.115 121.223 0.089 0.000 2.333 270 L HA 0.512 4.852 4.340 -0.000 0.000 0.263 270 L C -0.454 176.408 176.870 -0.014 0.000 1.014 270 L CA -0.961 53.948 54.840 0.116 0.000 0.820 270 L CB 1.734 43.978 42.059 0.308 0.000 1.352 270 L HN 0.546 nan 8.230 nan 0.000 0.421 271 D N -0.928 119.450 120.400 -0.036 0.000 2.433 271 D HA 0.084 4.724 4.640 -0.000 0.000 0.255 271 D C 0.916 176.983 176.300 -0.388 0.000 1.226 271 D CA -0.231 53.682 54.000 -0.145 0.000 1.015 271 D CB 0.747 41.545 40.800 -0.002 0.000 1.091 271 D HN 0.507 nan 8.370 nan 0.000 0.527 272 S N -1.595 113.806 115.700 -0.498 0.000 2.555 272 S HA -0.120 4.350 4.470 -0.000 0.000 0.230 272 S C 1.151 175.337 174.600 -0.689 0.000 0.978 272 S CA 0.198 57.939 58.200 -0.764 0.000 0.934 272 S CB -0.786 62.062 63.200 -0.586 0.000 0.766 272 S HN 0.517 nan 8.310 nan 0.000 0.533 273 Y N 0.205 120.331 120.300 -0.290 0.000 2.461 273 Y HA 0.295 4.845 4.550 -0.000 0.000 0.277 273 Y C -0.157 175.803 175.900 0.100 0.000 1.182 273 Y CA -0.864 57.179 58.100 -0.096 0.000 1.276 273 Y CB -0.684 37.797 38.460 0.036 0.000 1.087 273 Y HN 0.187 nan 8.280 nan 0.000 0.519 274 Y N -1.322 119.162 120.300 0.307 0.000 4.272 274 Y HA -0.309 4.241 4.550 -0.000 0.000 0.232 274 Y C 0.239 176.337 175.900 0.330 0.000 1.149 274 Y CA -0.335 57.977 58.100 0.352 0.000 1.961 274 Y CB -2.602 36.059 38.460 0.336 0.000 1.611 274 Y HN 0.260 nan 8.280 nan 0.000 0.682 275 Q N 0.815 120.809 119.800 0.324 0.000 2.286 275 Q HA 0.292 4.631 4.340 -0.000 0.000 0.257 275 Q C 0.617 176.708 176.000 0.152 0.000 0.941 275 Q CA -0.779 55.146 55.803 0.202 0.000 0.912 275 Q CB 1.166 29.972 28.738 0.114 0.000 1.192 275 Q HN 0.308 nan 8.270 nan 0.000 0.410 276 R N 2.843 123.418 120.500 0.125 0.000 2.449 276 R HA 0.054 4.394 4.340 -0.000 0.000 0.296 276 R C 0.458 176.749 176.300 -0.015 0.000 1.047 276 R CA 0.220 56.374 56.100 0.089 0.000 1.018 276 R CB 0.324 30.681 30.300 0.095 0.000 0.962 276 R HN 0.701 nan 8.270 nan 0.000 0.428 277 L N 2.771 123.938 121.223 -0.094 0.000 2.362 277 L HA 0.215 4.555 4.340 -0.000 0.000 0.204 277 L C 0.096 176.620 176.870 -0.576 0.000 1.060 277 L CA 0.241 54.882 54.840 -0.331 0.000 0.827 277 L CB 0.160 41.996 42.059 -0.372 0.000 1.027 277 L HN 0.714 nan 8.230 nan 0.000 0.474 278 H N -1.392 117.660 119.070 -0.031 0.000 2.961 278 H HA 0.538 5.094 4.556 -0.000 0.000 0.371 278 H C -1.025 174.245 175.328 -0.097 0.000 1.190 278 H CA -0.752 55.253 56.048 -0.072 0.000 1.138 278 H CB 2.057 31.744 29.762 -0.125 0.000 1.816 278 H HN -0.170 nan 8.280 nan 0.000 0.551 279 R N 2.285 122.788 120.500 0.005 0.000 2.532 279 R HA 0.437 4.777 4.340 -0.000 0.000 0.297 279 R C -1.768 174.439 176.300 -0.155 0.000 0.984 279 R CA -0.770 55.262 56.100 -0.113 0.000 0.884 279 R CB 1.026 31.221 30.300 -0.174 0.000 1.182 279 R HN 0.551 nan 8.270 nan 0.000 0.442 280 L N 4.992 126.099 121.223 -0.194 0.000 2.272 280 L HA 0.551 4.891 4.340 -0.000 0.000 0.289 280 L C 0.229 177.008 176.870 -0.151 0.000 1.032 280 L CA -0.679 54.045 54.840 -0.194 0.000 0.810 280 L CB 1.550 43.439 42.059 -0.283 0.000 1.205 280 L HN 0.475 nan 8.230 nan 0.000 0.422 281 R N 1.400 121.755 120.500 -0.243 0.000 2.500 281 R HA 0.528 4.868 4.340 -0.000 0.000 0.277 281 R C 0.449 176.281 176.300 -0.780 0.000 1.026 281 R CA -0.617 55.300 56.100 -0.305 0.000 1.058 281 R CB 1.034 31.263 30.300 -0.118 0.000 1.078 281 R HN 0.763 nan 8.270 nan 0.000 0.509 282 G N 0.112 108.425 108.800 -0.811 0.000 2.667 282 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.250 282 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.250 282 G C 0.142 174.735 174.900 -0.511 0.000 1.212 282 G CA -0.271 44.165 45.100 -1.107 0.000 0.874 282 G HN 0.801 nan 8.290 nan 0.000 0.561 283 E N -1.241 118.766 120.200 -0.322 0.000 2.201 283 E HA 0.058 4.407 4.350 -0.000 0.000 0.193 283 E C 0.769 177.439 176.600 0.116 0.000 0.957 283 E CA 0.196 56.580 56.400 -0.026 0.000 0.858 283 E CB 0.191 29.973 29.700 0.137 0.000 0.816 283 E HN 0.497 nan 8.360 nan 0.000 0.475 284 Q N 0.738 120.649 119.800 0.186 0.000 2.289 284 Q HA 0.270 4.610 4.340 -0.000 0.000 0.270 284 Q C -1.190 174.908 176.000 0.163 0.000 1.038 284 Q CA -0.542 55.376 55.803 0.192 0.000 0.812 284 Q CB 1.575 30.470 28.738 0.263 0.000 1.300 284 Q HN 0.073 nan 8.270 nan 0.000 0.427 285 M N 2.493 122.160 119.600 0.113 0.000 2.249 285 M HA 0.134 4.614 4.480 -0.000 0.000 0.340 285 M C 0.966 177.352 176.300 0.143 0.000 1.166 285 M CA 1.597 56.966 55.300 0.116 0.000 1.115 285 M CB 0.525 33.177 32.600 0.087 0.000 1.606 285 M HN 1.022 nan 8.290 nan 0.000 0.448 286 A N 0.706 123.629 122.820 0.172 0.000 3.396 286 A HA -0.211 4.108 4.320 -0.000 0.000 0.267 286 A C 1.526 179.285 177.584 0.293 0.000 1.139 286 A CA 1.385 53.557 52.037 0.225 0.000 1.115 286 A CB -2.569 16.533 19.000 0.170 0.000 1.133 286 A HN 1.030 nan 8.150 nan 0.000 0.920 287 S N -2.493 113.386 115.700 0.298 0.000 2.515 287 S HA 0.105 4.575 4.470 -0.000 0.000 0.231 287 S C 0.773 175.644 174.600 0.451 0.000 0.987 287 S CA 1.274 59.695 58.200 0.368 0.000 0.936 287 S CB -0.443 63.031 63.200 0.456 0.000 0.766 287 S HN 1.687 nan 8.310 nan 0.000 0.528 288 Y N -0.339 120.096 120.300 0.226 0.000 3.689 288 Y HA -0.225 4.325 4.550 -0.000 0.000 0.221 288 Y C 0.062 176.106 175.900 0.241 0.000 1.247 288 Y CA -0.006 58.209 58.100 0.192 0.000 1.671 288 Y CB -2.540 36.003 38.460 0.139 0.000 1.521 288 Y HN 0.557 nan 8.280 nan 0.000 0.632 289 F N 1.268 121.311 119.950 0.154 0.000 2.539 289 F HA 0.324 4.851 4.527 -0.000 0.000 0.393 289 F C 1.273 177.091 175.800 0.029 0.000 1.032 289 F CA 1.841 59.901 58.000 0.099 0.000 1.120 289 F CB 0.158 39.169 39.000 0.019 0.000 1.014 289 F HN 0.384 nan 8.300 nan 0.000 0.546 290 G N 4.228 112.848 108.800 -0.300 0.000 2.192 290 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.193 290 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.193 290 G C 1.264 176.158 174.900 -0.011 0.000 0.999 290 G CA 0.159 45.133 45.100 -0.209 0.000 0.659 290 G HN 0.779 nan 8.290 nan 0.000 0.503 291 H N 0.848 119.931 119.070 0.021 0.000 2.352 291 H HA 0.083 4.639 4.556 -0.000 0.000 0.299 291 H C 0.518 175.937 175.328 0.153 0.000 1.097 291 H CA 2.097 58.262 56.048 0.194 0.000 1.311 291 H CB 0.226 30.157 29.762 0.282 0.000 1.377 291 H HN 0.391 nan 8.280 nan 0.000 0.504 292 S N 0.277 116.062 115.700 0.142 0.000 2.526 292 S HA 0.494 4.964 4.470 -0.000 0.000 0.293 292 S C -0.795 173.780 174.600 -0.041 0.000 1.092 292 S CA -0.486 57.733 58.200 0.032 0.000 0.980 292 S CB 2.803 66.048 63.200 0.074 0.000 1.048 292 S HN 0.300 nan 8.310 nan 0.000 0.483 293 V N -0.790 119.089 119.914 -0.057 0.000 2.760 293 V HA 1.044 5.164 4.120 -0.000 0.000 0.309 293 V C -0.587 175.486 176.094 -0.035 0.000 1.077 293 V CA -0.990 61.273 62.300 -0.062 0.000 0.910 293 V CB 1.136 32.906 31.823 -0.087 0.000 1.008 293 V HN 1.095 nan 8.190 nan 0.000 0.424 294 A N 3.190 126.006 122.820 -0.007 0.000 2.449 294 A HA 0.926 5.246 4.320 -0.000 0.000 0.302 294 A C -1.089 176.523 177.584 0.047 0.000 1.048 294 A CA -0.737 51.305 52.037 0.008 0.000 0.708 294 A CB 2.214 21.217 19.000 0.004 0.000 1.274 294 A HN 1.410 nan 8.150 nan 0.000 0.410 295 V N 1.495 121.426 119.914 0.029 0.000 2.444 295 V HA 0.848 4.968 4.120 -0.000 0.000 0.294 295 V C 0.025 176.071 176.094 -0.080 0.000 1.022 295 V CA -0.031 62.288 62.300 0.032 0.000 0.850 295 V CB 1.369 33.205 31.823 0.021 0.000 0.992 295 V HN 1.155 nan 8.190 nan 0.000 0.426 296 T N 2.387 116.940 114.554 -0.002 0.000 2.893 296 T HA 0.261 4.611 4.350 -0.000 0.000 0.337 296 T C -2.093 172.708 174.700 0.167 0.000 1.587 296 T CA -0.568 61.563 62.100 0.051 0.000 1.066 296 T CB 1.791 70.692 68.868 0.054 0.000 1.414 296 T HN 0.738 nan 8.240 nan 0.000 0.488 297 D N 2.264 122.798 120.400 0.223 0.000 2.380 297 D HA 0.350 4.990 4.640 -0.000 0.000 0.230 297 D C 1.449 177.829 176.300 0.133 0.000 1.154 297 D CA -0.185 53.910 54.000 0.159 0.000 0.859 297 D CB 0.971 41.832 40.800 0.103 0.000 1.045 297 D HN 0.406 nan 8.370 nan 0.000 0.495 298 V N 2.028 122.020 119.914 0.131 0.000 3.307 298 V HA 0.102 4.222 4.120 -0.000 0.000 0.253 298 V C 1.237 177.441 176.094 0.184 0.000 1.149 298 V CA 0.562 62.944 62.300 0.137 0.000 1.112 298 V CB -0.408 31.471 31.823 0.094 0.000 0.777 298 V HN 0.561 nan 8.190 nan 0.000 0.464 299 N N 1.184 119.987 118.700 0.172 0.000 2.268 299 N HA 0.190 4.930 4.740 -0.000 0.000 0.204 299 N C 1.412 177.123 175.510 0.335 0.000 1.124 299 N CA 0.631 53.809 53.050 0.213 0.000 0.838 299 N CB 0.399 38.948 38.487 0.105 0.000 0.994 299 N HN 0.873 nan 8.380 nan 0.000 0.489 300 G N 2.008 110.956 108.800 0.246 0.000 2.198 300 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 300 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 300 G C 0.259 175.172 174.900 0.022 0.000 1.025 300 G CA 0.605 45.744 45.100 0.066 0.000 0.769 300 G HN 0.660 nan 8.290 nan 0.000 0.507 301 D N -0.842 119.583 120.400 0.042 0.000 2.349 301 D HA 0.335 4.975 4.640 -0.000 0.000 0.214 301 D C 1.770 178.055 176.300 -0.025 0.000 1.063 301 D CA 0.597 54.604 54.000 0.012 0.000 0.847 301 D CB -0.367 40.450 40.800 0.029 0.000 0.933 301 D HN 1.468 nan 8.370 nan 0.000 0.513 302 G N 0.920 109.693 108.800 -0.045 0.000 2.241 302 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.244 302 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.244 302 G C 0.293 175.097 174.900 -0.161 0.000 0.998 302 G CA -0.117 44.926 45.100 -0.096 0.000 0.621 302 G HN 0.436 nan 8.290 nan 0.000 0.519 303 R N 0.640 121.072 120.500 -0.113 0.000 2.297 303 R HA 0.480 4.820 4.340 -0.000 0.000 0.308 303 R C -0.190 176.039 176.300 -0.120 0.000 1.029 303 R CA -0.685 55.326 56.100 -0.148 0.000 0.929 303 R CB 0.645 30.911 30.300 -0.056 0.000 1.046 303 R HN 0.534 nan 8.270 nan 0.000 0.461 304 H N 1.324 120.266 119.070 -0.213 0.000 2.848 304 H HA 0.007 4.563 4.556 -0.000 0.000 0.341 304 H C -0.246 175.034 175.328 -0.081 0.000 1.060 304 H CA 0.042 55.951 56.048 -0.231 0.000 1.444 304 H CB 0.697 30.160 29.762 -0.499 0.000 1.446 304 H HN 0.396 nan 8.280 nan 0.000 0.583 305 D N 2.099 122.632 120.400 0.221 0.000 2.268 305 D HA 0.193 4.833 4.640 -0.000 0.000 0.249 305 D C -0.494 176.018 176.300 0.354 0.000 1.008 305 D CA -0.674 53.496 54.000 0.284 0.000 0.939 305 D CB 2.268 43.183 40.800 0.191 0.000 1.170 305 D HN 0.116 nan 8.370 nan 0.000 0.468 306 L N 0.915 122.362 121.223 0.373 0.000 2.325 306 L HA 0.492 4.832 4.340 -0.000 0.000 0.278 306 L C -1.490 175.548 176.870 0.281 0.000 1.023 306 L CA -0.489 54.529 54.840 0.298 0.000 0.811 306 L CB 1.173 43.325 42.059 0.156 0.000 1.249 306 L HN 0.274 nan 8.230 nan 0.000 0.431 307 L N 5.691 127.022 121.223 0.179 0.000 2.372 307 L HA 0.608 4.948 4.340 -0.000 0.000 0.274 307 L C -0.916 176.007 176.870 0.088 0.000 0.988 307 L CA -0.533 54.390 54.840 0.137 0.000 0.833 307 L CB 1.965 44.058 42.059 0.057 0.000 1.236 307 L HN 0.335 nan 8.230 nan 0.000 0.410 308 V N 1.748 121.741 119.914 0.131 0.000 2.547 308 V HA 0.746 4.866 4.120 -0.000 0.000 0.299 308 V C 0.488 176.598 176.094 0.027 0.000 1.040 308 V CA -0.540 61.725 62.300 -0.057 0.000 0.913 308 V CB 1.807 33.408 31.823 -0.370 0.000 0.992 308 V HN 0.794 nan 8.190 nan 0.000 0.449 309 G N 2.239 111.020 108.800 -0.032 0.000 2.416 309 G HA2 0.651 4.611 3.960 -0.000 0.000 0.324 309 G HA3 0.651 4.611 3.960 -0.000 0.000 0.324 309 G C -0.547 174.438 174.900 0.140 0.000 1.194 309 G CA -0.362 44.786 45.100 0.081 0.000 0.922 309 G HN 1.110 nan 8.290 nan 0.000 0.467 310 A N 4.349 127.344 122.820 0.292 0.000 2.709 310 A HA 0.680 5.000 4.320 -0.000 0.000 0.332 310 A C -1.578 176.212 177.584 0.343 0.000 1.241 310 A CA -1.347 50.920 52.037 0.384 0.000 0.782 310 A CB 1.527 20.892 19.000 0.610 0.000 1.109 310 A HN 0.436 nan 8.150 nan 0.000 0.472 311 P HA -0.013 nan 4.420 nan 0.000 0.237 311 P C 0.548 177.977 177.300 0.215 0.000 1.178 311 P CA 0.683 63.887 63.100 0.173 0.000 0.766 311 P CB 0.246 31.934 31.700 -0.019 0.000 0.876 312 L N -1.779 119.594 121.223 0.251 0.000 2.910 312 L HA 0.256 4.595 4.340 -0.000 0.000 0.252 312 L C 0.645 177.669 176.870 0.255 0.000 1.195 312 L CA -0.888 54.089 54.840 0.229 0.000 1.003 312 L CB -0.482 41.692 42.059 0.191 0.000 1.328 312 L HN -0.105 nan 8.230 nan 0.000 0.540 313 Y N 2.235 122.655 120.300 0.201 0.000 2.620 313 Y HA 0.112 4.662 4.550 -0.000 0.000 0.330 313 Y C 0.357 176.331 175.900 0.123 0.000 1.186 313 Y CA 0.198 58.410 58.100 0.186 0.000 1.467 313 Y CB 0.429 39.020 38.460 0.219 0.000 1.262 313 Y HN 0.060 nan 8.280 nan 0.000 0.550 314 M N 6.690 125.951 119.600 -0.564 0.000 2.113 314 M HA 0.212 4.692 4.480 -0.000 0.000 0.352 314 M C -0.369 175.535 176.300 -0.659 0.000 1.170 314 M CA -0.225 54.819 55.300 -0.427 0.000 1.053 314 M CB 1.166 33.620 32.600 -0.243 0.000 1.601 314 M HN 0.672 nan 8.290 nan 0.000 0.459 315 E N 1.833 121.876 120.200 -0.261 0.000 2.313 315 E HA 0.283 4.632 4.350 -0.000 0.000 0.272 315 E C -0.769 175.792 176.600 -0.064 0.000 1.038 315 E CA -0.348 56.016 56.400 -0.061 0.000 0.863 315 E CB 1.207 30.956 29.700 0.081 0.000 1.060 315 E HN 0.594 nan 8.360 nan 0.000 0.402 316 S N 2.768 118.459 115.700 -0.015 0.000 2.564 316 S HA 0.312 4.782 4.470 -0.000 0.000 0.278 316 S C -0.111 174.483 174.600 -0.010 0.000 1.333 316 S CA -0.248 57.943 58.200 -0.015 0.000 1.048 316 S CB 0.685 63.890 63.200 0.008 0.000 0.900 316 S HN 0.411 nan 8.310 nan 0.000 0.505 317 R N 0.342 120.832 120.500 -0.017 0.000 2.831 317 R HA 0.627 4.967 4.340 -0.000 0.000 0.266 317 R C -0.686 175.607 176.300 -0.012 0.000 1.051 317 R CA -1.115 54.975 56.100 -0.015 0.000 0.943 317 R CB 1.067 31.353 30.300 -0.023 0.000 1.228 317 R HN 0.660 nan 8.270 nan 0.000 0.467 318 A N 1.049 123.862 122.820 -0.010 0.000 2.587 318 A HA 0.049 4.368 4.320 -0.000 0.000 0.235 318 A C -0.417 177.162 177.584 -0.008 0.000 1.044 318 A CA 0.866 52.899 52.037 -0.008 0.000 0.754 318 A CB -0.457 18.538 19.000 -0.007 0.000 0.968 318 A HN 0.819 nan 8.150 nan 0.000 0.509 319 D N 0.334 120.730 120.400 -0.006 0.000 2.716 319 D HA -0.186 4.454 4.640 -0.000 0.000 0.239 319 D C 0.445 176.741 176.300 -0.006 0.000 1.125 319 D CA 1.429 55.426 54.000 -0.005 0.000 0.681 319 D CB -1.259 39.539 40.800 -0.005 0.000 1.070 319 D HN 0.834 nan 8.370 nan 0.000 0.432 320 R N -2.304 118.192 120.500 -0.007 0.000 3.875 320 R HA -0.251 4.089 4.340 -0.000 0.000 0.321 320 R C -0.308 175.985 176.300 -0.013 0.000 1.196 320 R CA 1.100 57.195 56.100 -0.008 0.000 0.868 320 R CB -1.349 28.948 30.300 -0.006 0.000 1.333 320 R HN 0.376 nan 8.270 nan 0.000 0.522 321 K N 1.246 121.636 120.400 -0.016 0.000 2.183 321 K HA 0.398 4.718 4.320 -0.000 0.000 0.274 321 K C 0.156 176.736 176.600 -0.033 0.000 1.009 321 K CA -0.475 55.799 56.287 -0.021 0.000 0.888 321 K CB 1.163 33.651 32.500 -0.019 0.000 1.078 321 K HN -0.010 nan 8.250 nan 0.000 0.459 322 L N 1.769 122.966 121.223 -0.042 0.000 2.343 322 L HA 0.550 4.890 4.340 -0.000 0.000 0.275 322 L C -0.091 176.734 176.870 -0.076 0.000 1.056 322 L CA -0.659 54.140 54.840 -0.067 0.000 0.804 322 L CB 1.551 43.564 42.059 -0.076 0.000 1.203 322 L HN 0.658 nan 8.230 nan 0.000 0.440 323 A N 1.896 124.657 122.820 -0.098 0.000 2.411 323 A HA 0.294 4.614 4.320 -0.000 0.000 0.285 323 A C -0.515 176.995 177.584 -0.122 0.000 1.129 323 A CA -0.534 51.431 52.037 -0.121 0.000 0.736 323 A CB 0.890 19.827 19.000 -0.106 0.000 1.186 323 A HN 0.734 nan 8.150 nan 0.000 0.445 324 E N 2.187 122.303 120.200 -0.140 0.000 2.383 324 E HA 0.212 4.562 4.350 -0.000 0.000 0.257 324 E C 0.653 177.233 176.600 -0.034 0.000 1.079 324 E CA 0.558 56.924 56.400 -0.057 0.000 0.934 324 E CB 0.447 30.163 29.700 0.027 0.000 0.978 324 E HN 0.778 nan 8.360 nan 0.000 0.462 325 V N 1.481 121.433 119.914 0.064 0.000 3.350 325 V HA 0.483 4.603 4.120 -0.000 0.000 0.246 325 V C 0.668 176.893 176.094 0.220 0.000 1.363 325 V CA 0.523 62.885 62.300 0.104 0.000 1.162 325 V CB 0.043 31.896 31.823 0.050 0.000 0.947 325 V HN 0.823 nan 8.190 nan 0.000 0.454 326 G N 0.611 109.588 108.800 0.295 0.000 2.650 326 G HA2 0.139 4.099 3.960 -0.000 0.000 0.686 326 G HA3 0.139 4.099 3.960 -0.000 0.000 0.686 326 G C -0.771 174.355 174.900 0.376 0.000 1.205 326 G CA -0.191 45.135 45.100 0.376 0.000 0.781 326 G HN 0.866 nan 8.290 nan 0.000 0.648 327 R N -0.315 120.389 120.500 0.340 0.000 2.604 327 R HA 0.672 5.012 4.340 -0.000 0.000 0.270 327 R C -1.267 175.089 176.300 0.093 0.000 1.052 327 R CA -0.801 55.358 56.100 0.100 0.000 0.902 327 R CB 2.165 32.228 30.300 -0.394 0.000 1.233 327 R HN 0.794 nan 8.270 nan 0.000 0.455 328 V N 4.255 124.178 119.914 0.016 0.000 2.513 328 V HA 0.480 4.600 4.120 -0.000 0.000 0.299 328 V C -1.249 174.706 176.094 -0.232 0.000 1.035 328 V CA -0.595 61.692 62.300 -0.022 0.000 0.889 328 V CB 1.620 33.422 31.823 -0.035 0.000 0.988 328 V HN 0.623 nan 8.190 nan 0.000 0.440 329 Y N 4.615 124.893 120.300 -0.038 0.000 2.328 329 Y HA 0.613 5.163 4.550 -0.000 0.000 0.337 329 Y C -0.191 175.554 175.900 -0.258 0.000 0.966 329 Y CA -0.861 57.145 58.100 -0.157 0.000 1.136 329 Y CB 1.656 40.128 38.460 0.020 0.000 1.170 329 Y HN 0.493 nan 8.280 nan 0.000 0.470 330 L N 5.013 126.071 121.223 -0.275 0.000 2.282 330 L HA 0.600 4.940 4.340 -0.000 0.000 0.288 330 L C -1.726 174.907 176.870 -0.394 0.000 1.033 330 L CA -0.693 54.025 54.840 -0.203 0.000 0.807 330 L CB -0.077 41.901 42.059 -0.135 0.000 1.209 330 L HN 0.393 nan 8.230 nan 0.000 0.423 331 F N 5.952 125.951 119.950 0.082 0.000 2.403 331 F HA 0.461 4.988 4.527 -0.000 0.000 0.355 331 F C -0.232 175.620 175.800 0.086 0.000 1.119 331 F CA -0.612 57.433 58.000 0.074 0.000 1.007 331 F CB 1.091 40.126 39.000 0.058 0.000 1.194 331 F HN 0.245 nan 8.300 nan 0.000 0.443 332 L N 3.243 124.583 121.223 0.195 0.000 2.349 332 L HA 0.282 4.622 4.340 -0.000 0.000 0.275 332 L C 0.321 177.292 176.870 0.168 0.000 1.115 332 L CA -0.372 54.561 54.840 0.156 0.000 0.820 332 L CB 0.940 43.052 42.059 0.089 0.000 1.135 332 L HN 0.606 nan 8.230 nan 0.000 0.445 333 Q N 5.378 125.279 119.800 0.169 0.000 2.288 333 Q HA 0.294 4.634 4.340 -0.000 0.000 0.258 333 Q C -2.236 173.822 176.000 0.095 0.000 0.957 333 Q CA -1.636 54.262 55.803 0.158 0.000 0.919 333 Q CB 1.291 30.136 28.738 0.179 0.000 1.185 333 Q HN 0.317 nan 8.270 nan 0.000 0.408 334 P HA 0.149 nan 4.420 nan 0.000 0.279 334 P C -1.102 176.226 177.300 0.047 0.000 1.276 334 P CA -0.449 62.672 63.100 0.036 0.000 0.801 334 P CB 0.710 32.412 31.700 0.004 0.000 1.127 335 R N -0.467 120.034 120.500 0.003 0.000 2.615 335 R HA 0.518 4.858 4.340 -0.000 0.000 0.270 335 R C 0.488 176.877 176.300 0.148 0.000 1.081 335 R CA 0.170 56.293 56.100 0.039 0.000 1.154 335 R CB -0.705 29.598 30.300 0.006 0.000 1.063 335 R HN 0.768 nan 8.270 nan 0.000 0.519 336 G N 1.719 110.619 108.800 0.166 0.000 2.804 336 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.230 336 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.230 336 G C -2.221 172.825 174.900 0.243 0.000 1.386 336 G CA -0.349 44.888 45.100 0.228 0.000 0.875 336 G HN 0.678 nan 8.290 nan 0.000 0.557 337 P HA 0.268 nan 4.420 nan 0.000 0.249 337 P C -0.510 176.704 177.300 -0.145 0.000 1.737 337 P CA 0.577 63.683 63.100 0.009 0.000 1.128 337 P CB -0.411 31.260 31.700 -0.048 0.000 1.942 338 H N 0.421 119.551 119.070 0.100 0.000 2.690 338 H HA 0.610 5.166 4.556 -0.000 0.000 0.368 338 H C 0.143 175.551 175.328 0.133 0.000 1.150 338 H CA -0.677 55.429 56.048 0.097 0.000 1.174 338 H CB 1.833 31.636 29.762 0.068 0.000 1.684 338 H HN 0.297 nan 8.280 nan 0.000 0.538 339 A N 1.936 124.895 122.820 0.232 0.000 2.346 339 A HA 0.339 4.658 4.320 -0.000 0.000 0.252 339 A C -0.564 177.010 177.584 -0.015 0.000 1.089 339 A CA -0.456 51.679 52.037 0.163 0.000 0.797 339 A CB 0.121 19.232 19.000 0.185 0.000 1.047 339 A HN 0.515 nan 8.150 nan 0.000 0.494 340 L N 2.051 123.098 121.223 -0.294 0.000 2.369 340 L HA 0.376 4.716 4.340 -0.000 0.000 0.279 340 L C 1.273 178.128 176.870 -0.026 0.000 1.108 340 L CA 1.085 55.820 54.840 -0.175 0.000 0.852 340 L CB 0.263 42.111 42.059 -0.351 0.000 1.169 340 L HN 0.889 nan 8.230 nan 0.000 0.452 341 G N 2.231 111.083 108.800 0.086 0.000 2.546 341 G HA2 0.544 4.504 3.960 -0.000 0.000 0.239 341 G HA3 0.544 4.504 3.960 -0.000 0.000 0.239 341 G C -0.038 174.998 174.900 0.226 0.000 1.476 341 G CA -0.021 45.151 45.100 0.122 0.000 1.064 341 G HN 0.839 nan 8.290 nan 0.000 0.561 342 A N -0.169 122.766 122.820 0.192 0.000 2.310 342 A HA 0.584 4.904 4.320 -0.000 0.000 0.260 342 A C -2.138 175.557 177.584 0.185 0.000 1.112 342 A CA -0.679 51.492 52.037 0.222 0.000 0.804 342 A CB -0.354 18.716 19.000 0.116 0.000 1.081 342 A HN 0.418 nan 8.150 nan 0.000 0.499 343 P HA 0.218 nan 4.420 nan 0.000 0.271 343 P C 0.283 177.473 177.300 -0.182 0.000 1.220 343 P CA 0.040 62.905 63.100 -0.392 0.000 0.768 343 P CB 0.988 32.461 31.700 -0.379 0.000 0.848 344 S N 1.733 117.328 115.700 -0.175 0.000 2.453 344 S HA 0.029 4.499 4.470 -0.000 0.000 0.231 344 S C 0.585 175.119 174.600 -0.109 0.000 1.005 344 S CA 0.687 58.833 58.200 -0.090 0.000 0.949 344 S CB -0.349 62.822 63.200 -0.049 0.000 0.774 344 S HN 0.403 nan 8.310 nan 0.000 0.510 345 L N 0.317 121.440 121.223 -0.167 0.000 2.556 345 L HA 0.499 4.839 4.340 -0.000 0.000 0.257 345 L C -2.102 174.633 176.870 -0.225 0.000 0.955 345 L CA -0.459 54.284 54.840 -0.162 0.000 0.850 345 L CB 1.480 43.456 42.059 -0.138 0.000 1.398 345 L HN -0.011 nan 8.230 nan 0.000 0.412 346 L N 5.316 126.403 121.223 -0.227 0.000 2.319 346 L HA 0.554 4.894 4.340 -0.000 0.000 0.281 346 L C -1.029 175.674 176.870 -0.280 0.000 1.005 346 L CA -0.578 54.065 54.840 -0.329 0.000 0.828 346 L CB 1.594 43.450 42.059 -0.338 0.000 1.227 346 L HN 0.473 nan 8.230 nan 0.000 0.415 347 L N 3.423 124.476 121.223 -0.284 0.000 2.272 347 L HA 0.546 4.886 4.340 -0.000 0.000 0.289 347 L C -0.222 176.495 176.870 -0.255 0.000 1.032 347 L CA -0.213 54.495 54.840 -0.220 0.000 0.810 347 L CB 1.726 43.684 42.059 -0.168 0.000 1.205 347 L HN 0.562 nan 8.230 nan 0.000 0.422 348 T N 1.472 115.785 114.554 -0.402 0.000 2.824 348 T HA 0.459 4.809 4.350 -0.000 0.000 0.282 348 T C 0.458 174.742 174.700 -0.693 0.000 0.993 348 T CA -0.596 61.257 62.100 -0.411 0.000 0.967 348 T CB 1.827 70.577 68.868 -0.198 0.000 0.960 348 T HN 0.698 nan 8.240 nan 0.000 0.441 349 G N 0.986 109.358 108.800 -0.713 0.000 2.636 349 G HA2 0.370 4.330 3.960 -0.000 0.000 0.246 349 G HA3 0.370 4.330 3.960 -0.000 0.000 0.246 349 G C 1.006 175.779 174.900 -0.212 0.000 1.216 349 G CA 0.084 44.852 45.100 -0.554 0.000 0.854 349 G HN 0.813 nan 8.290 nan 0.000 0.572 350 T N -2.761 111.727 114.554 -0.110 0.000 2.978 350 T HA 0.167 4.517 4.350 -0.000 0.000 0.248 350 T C 0.934 175.629 174.700 -0.009 0.000 1.018 350 T CA 0.120 62.189 62.100 -0.052 0.000 1.026 350 T CB 0.140 68.983 68.868 -0.040 0.000 1.032 350 T HN 0.423 nan 8.240 nan 0.000 0.485 351 Q N 1.557 121.377 119.800 0.033 0.000 2.267 351 Q HA 0.530 4.870 4.340 -0.000 0.000 0.255 351 Q C -0.649 175.369 176.000 0.030 0.000 0.923 351 Q CA -0.869 54.964 55.803 0.050 0.000 0.925 351 Q CB 0.945 29.746 28.738 0.105 0.000 1.195 351 Q HN 0.406 nan 8.270 nan 0.000 0.417 352 L N 5.269 126.468 121.223 -0.040 0.000 2.490 352 L HA 0.035 4.375 4.340 -0.000 0.000 0.274 352 L C -0.591 176.223 176.870 -0.094 0.000 1.201 352 L CA 0.951 55.665 54.840 -0.209 0.000 0.869 352 L CB -0.292 41.551 42.059 -0.359 0.000 1.123 352 L HN 0.821 nan 8.230 nan 0.000 0.484 353 Y N 1.590 121.940 120.300 0.082 0.000 4.538 353 Y HA -0.254 4.296 4.550 -0.000 0.000 0.225 353 Y C 1.700 177.694 175.900 0.158 0.000 1.074 353 Y CA 0.965 59.115 58.100 0.083 0.000 1.942 353 Y CB -2.262 36.214 38.460 0.027 0.000 1.618 353 Y HN 0.696 nan 8.280 nan 0.000 0.642 354 G N -0.062 108.911 108.800 0.288 0.000 2.484 354 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.218 354 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.218 354 G C 0.882 176.001 174.900 0.364 0.000 1.130 354 G CA 0.395 45.693 45.100 0.330 0.000 0.784 354 G HN 0.475 nan 8.290 nan 0.000 0.543 355 R N -1.461 119.234 120.500 0.324 0.000 3.336 355 R HA -0.187 4.153 4.340 -0.000 0.000 0.260 355 R C -0.214 176.239 176.300 0.256 0.000 1.032 355 R CA 0.206 56.475 56.100 0.281 0.000 0.693 355 R CB -2.497 27.987 30.300 0.305 0.000 1.134 355 R HN 0.376 nan 8.270 nan 0.000 0.433 356 F N 1.135 121.170 119.950 0.141 0.000 2.607 356 F HA 0.196 4.723 4.527 -0.000 0.000 0.374 356 F C 1.617 177.472 175.800 0.091 0.000 1.104 356 F CA 1.885 59.953 58.000 0.114 0.000 1.296 356 F CB 0.599 39.661 39.000 0.104 0.000 1.085 356 F HN 0.432 nan 8.300 nan 0.000 0.584 357 G N 3.402 111.888 108.800 -0.523 0.000 2.147 357 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.244 357 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.244 357 G C 1.043 175.893 174.900 -0.084 0.000 1.005 357 G CA 0.585 45.500 45.100 -0.309 0.000 0.713 357 G HN 0.989 nan 8.290 nan 0.000 0.515 358 S N -0.954 114.703 115.700 -0.073 0.000 2.428 358 S HA 0.526 4.996 4.470 -0.000 0.000 0.230 358 S C 1.235 175.844 174.600 0.015 0.000 1.014 358 S CA 1.856 60.034 58.200 -0.038 0.000 0.957 358 S CB -0.088 63.110 63.200 -0.004 0.000 0.784 358 S HN 1.979 nan 8.310 nan 0.000 0.499 359 A N 0.387 123.153 122.820 -0.089 0.000 2.488 359 A HA 0.720 5.040 4.320 -0.000 0.000 0.298 359 A C -1.266 176.242 177.584 -0.126 0.000 1.044 359 A CA -0.687 51.277 52.037 -0.123 0.000 0.693 359 A CB 1.096 19.980 19.000 -0.193 0.000 1.272 359 A HN 0.362 nan 8.150 nan 0.000 0.402 360 I N 1.723 122.235 120.570 -0.097 0.000 2.439 360 I HA 0.593 4.763 4.170 -0.000 0.000 0.285 360 I C 0.225 176.313 176.117 -0.049 0.000 1.021 360 I CA -0.485 60.768 61.300 -0.079 0.000 1.091 360 I CB 2.080 40.039 38.000 -0.068 0.000 1.242 360 I HN 0.732 nan 8.210 nan 0.000 0.439 361 A N 7.787 130.590 122.820 -0.028 0.000 2.291 361 A HA 0.784 5.104 4.320 -0.000 0.000 0.311 361 A C -2.703 174.896 177.584 0.025 0.000 1.224 361 A CA -1.717 50.318 52.037 -0.004 0.000 0.821 361 A CB 0.598 19.597 19.000 -0.002 0.000 1.172 361 A HN 0.349 nan 8.150 nan 0.000 0.494 362 P HA 0.127 nan 4.420 nan 0.000 0.266 362 P C 0.352 177.682 177.300 0.050 0.000 1.215 362 P CA 0.214 63.339 63.100 0.041 0.000 0.763 362 P CB 0.485 32.203 31.700 0.030 0.000 0.806 363 L N 2.257 123.513 121.223 0.055 0.000 2.567 363 L HA 0.240 4.580 4.340 -0.000 0.000 0.225 363 L C 1.425 178.316 176.870 0.035 0.000 1.119 363 L CA 0.363 55.234 54.840 0.053 0.000 0.871 363 L CB -0.771 41.323 42.059 0.059 0.000 1.036 363 L HN 0.649 nan 8.230 nan 0.000 0.459 364 G N 0.803 109.623 108.800 0.034 0.000 2.645 364 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.239 364 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.239 364 G C -0.444 174.473 174.900 0.030 0.000 1.331 364 G CA -0.232 44.879 45.100 0.020 0.000 0.890 364 G HN 0.229 nan 8.290 nan 0.000 0.572 365 D N 0.403 120.809 120.400 0.009 0.000 2.435 365 D HA 0.347 4.987 4.640 -0.000 0.000 0.230 365 D C 1.547 177.858 176.300 0.018 0.000 1.215 365 D CA -0.296 53.713 54.000 0.016 0.000 0.947 365 D CB 0.783 41.570 40.800 -0.021 0.000 1.048 365 D HN 0.439 nan 8.370 nan 0.000 0.512 366 L N 3.644 124.902 121.223 0.058 0.000 2.027 366 L HA -0.088 4.252 4.340 -0.000 0.000 0.206 366 L C 1.532 178.492 176.870 0.149 0.000 1.074 366 L CA 1.660 56.556 54.840 0.093 0.000 0.745 366 L CB -0.054 42.056 42.059 0.085 0.000 0.898 366 L HN 0.389 nan 8.230 nan 0.000 0.433 367 D N -1.497 118.976 120.400 0.122 0.000 2.340 367 D HA -0.042 4.598 4.640 -0.000 0.000 0.217 367 D C 0.370 176.731 176.300 0.102 0.000 1.081 367 D CA -0.268 53.824 54.000 0.153 0.000 0.842 367 D CB -0.278 40.591 40.800 0.115 0.000 0.934 367 D HN 0.270 nan 8.370 nan 0.000 0.511 368 R N 0.783 121.291 120.500 0.013 0.000 3.264 368 R HA -0.144 4.196 4.340 -0.000 0.000 0.251 368 R C -0.267 176.023 176.300 -0.018 0.000 0.971 368 R CA 0.988 57.048 56.100 -0.068 0.000 0.658 368 R CB -1.535 28.638 30.300 -0.211 0.000 1.095 368 R HN 0.423 nan 8.270 nan 0.000 0.443 369 D N -1.622 118.791 120.400 0.022 0.000 2.433 369 D HA 0.150 4.790 4.640 -0.000 0.000 0.211 369 D C 1.261 177.547 176.300 -0.024 0.000 1.114 369 D CA 0.681 54.707 54.000 0.043 0.000 0.837 369 D CB 0.575 41.450 40.800 0.124 0.000 0.984 369 D HN 0.400 nan 8.370 nan 0.000 0.505 370 G N -0.257 108.487 108.800 -0.093 0.000 2.313 370 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.215 370 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.215 370 G C -0.243 174.456 174.900 -0.334 0.000 1.023 370 G CA -0.233 44.711 45.100 -0.259 0.000 0.626 370 G HN 0.328 nan 8.290 nan 0.000 0.503 371 Y N 2.175 122.478 120.300 0.005 0.000 2.323 371 Y HA 0.589 5.139 4.550 -0.000 0.000 0.331 371 Y C 0.738 176.650 175.900 0.020 0.000 1.092 371 Y CA -1.016 57.093 58.100 0.015 0.000 1.150 371 Y CB 0.830 39.304 38.460 0.023 0.000 1.200 371 Y HN 0.065 nan 8.280 nan 0.000 0.472 372 N N 2.809 121.611 118.700 0.170 0.000 2.444 372 N HA 0.113 4.852 4.740 -0.000 0.000 0.255 372 N C -0.899 174.688 175.510 0.128 0.000 1.255 372 N CA 0.015 53.135 53.050 0.116 0.000 0.933 372 N CB 0.556 39.100 38.487 0.095 0.000 1.143 372 N HN 0.590 nan 8.380 nan 0.000 0.453 373 D N 0.062 120.523 120.400 0.102 0.000 2.477 373 D HA 0.560 5.200 4.640 -0.000 0.000 0.234 373 D C 0.214 176.574 176.300 0.099 0.000 1.048 373 D CA -0.364 53.700 54.000 0.107 0.000 0.959 373 D CB 1.993 42.852 40.800 0.099 0.000 1.408 373 D HN 0.480 nan 8.370 nan 0.000 0.496 374 I N -3.135 117.509 120.570 0.124 0.000 3.074 374 I HA 0.853 5.023 4.170 -0.000 0.000 0.310 374 I C -1.483 174.725 176.117 0.153 0.000 1.153 374 I CA -1.131 60.237 61.300 0.114 0.000 0.993 374 I CB 2.356 40.410 38.000 0.090 0.000 1.237 374 I HN 0.367 nan 8.210 nan 0.000 0.443 375 A N 3.613 126.496 122.820 0.105 0.000 2.355 375 A HA 0.822 5.142 4.320 -0.000 0.000 0.317 375 A C -1.040 176.583 177.584 0.064 0.000 1.094 375 A CA -0.629 51.468 52.037 0.100 0.000 0.764 375 A CB 1.703 20.716 19.000 0.022 0.000 1.230 375 A HN 0.564 nan 8.150 nan 0.000 0.448 376 V N 1.404 121.377 119.914 0.098 0.000 2.495 376 V HA 0.702 4.822 4.120 -0.000 0.000 0.298 376 V C 0.482 176.496 176.094 -0.135 0.000 1.031 376 V CA -0.416 61.826 62.300 -0.097 0.000 0.871 376 V CB 1.574 33.237 31.823 -0.267 0.000 0.988 376 V HN 1.221 nan 8.190 nan 0.000 0.432 377 A N 3.435 126.136 122.820 -0.199 0.000 2.301 377 A HA 0.849 5.169 4.320 -0.000 0.000 0.312 377 A C 0.233 177.759 177.584 -0.097 0.000 1.182 377 A CA -0.172 51.790 52.037 -0.125 0.000 0.826 377 A CB 1.075 19.997 19.000 -0.130 0.000 1.134 377 A HN 1.426 nan 8.150 nan 0.000 0.501 378 A N 4.234 127.087 122.820 0.054 0.000 2.802 378 A HA 0.650 4.970 4.320 -0.000 0.000 0.344 378 A C -2.141 175.532 177.584 0.149 0.000 1.215 378 A CA -1.321 50.818 52.037 0.170 0.000 0.821 378 A CB 0.364 19.556 19.000 0.320 0.000 1.099 378 A HN 0.473 nan 8.150 nan 0.000 0.479 379 P HA -0.118 nan 4.420 nan 0.000 0.223 379 P C -0.127 176.910 177.300 -0.439 0.000 1.144 379 P CA 1.584 64.601 63.100 -0.138 0.000 0.783 379 P CB -0.074 31.533 31.700 -0.155 0.000 0.771 380 Y N -1.950 118.474 120.300 0.205 0.000 2.715 380 Y HA 0.452 5.002 4.550 -0.000 0.000 0.255 380 Y C 1.468 177.476 175.900 0.180 0.000 1.139 380 Y CA -0.758 57.450 58.100 0.181 0.000 1.151 380 Y CB 0.054 38.613 38.460 0.166 0.000 1.201 380 Y HN -0.180 nan 8.280 nan 0.000 0.556 381 G N -0.223 108.732 108.800 0.258 0.000 2.543 381 G HA2 0.534 4.494 3.960 -0.000 0.000 0.290 381 G HA3 0.534 4.494 3.960 -0.000 0.000 0.290 381 G C 0.286 175.290 174.900 0.174 0.000 1.310 381 G CA -0.009 45.226 45.100 0.225 0.000 1.025 381 G HN 0.582 nan 8.290 nan 0.000 0.502 382 G N -1.185 107.700 108.800 0.141 0.000 2.733 382 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.686 382 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.686 382 G C -1.486 173.467 174.900 0.088 0.000 1.373 382 G CA -0.046 45.113 45.100 0.098 0.000 0.838 382 G HN 0.548 nan 8.290 nan 0.000 0.588 383 P HA -0.136 nan 4.420 nan 0.000 0.216 383 P C 2.198 179.535 177.300 0.062 0.000 1.153 383 P CA 2.585 65.717 63.100 0.054 0.000 0.858 383 P CB -0.066 31.655 31.700 0.036 0.000 0.789 384 S N -2.105 113.631 115.700 0.060 0.000 2.406 384 S HA 0.113 4.583 4.470 -0.000 0.000 0.228 384 S C 1.846 176.502 174.600 0.093 0.000 1.020 384 S CA 1.010 59.247 58.200 0.062 0.000 0.965 384 S CB -1.328 61.898 63.200 0.043 0.000 0.798 384 S HN 0.317 nan 8.310 nan 0.000 0.488 385 G N 1.418 110.291 108.800 0.120 0.000 2.176 385 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.232 385 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.232 385 G C 0.909 175.929 174.900 0.201 0.000 0.986 385 G CA 0.212 45.421 45.100 0.182 0.000 0.643 385 G HN 0.473 nan 8.290 nan 0.000 0.522 386 R N 0.561 121.139 120.500 0.130 0.000 2.148 386 R HA 0.346 4.686 4.340 -0.000 0.000 0.227 386 R C 1.420 177.785 176.300 0.108 0.000 1.103 386 R CA 1.198 57.360 56.100 0.104 0.000 0.983 386 R CB -0.034 30.289 30.300 0.038 0.000 0.874 386 R HN 1.499 nan 8.270 nan 0.000 0.451 387 G N 0.147 109.028 108.800 0.134 0.000 2.375 387 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.663 387 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.663 387 G C -1.650 173.427 174.900 0.295 0.000 1.391 387 G CA -0.866 44.371 45.100 0.229 0.000 0.949 387 G HN 0.094 nan 8.290 nan 0.000 0.646 388 Q N -0.646 119.390 119.800 0.393 0.000 2.378 388 Q HA 0.543 4.883 4.340 -0.000 0.000 0.262 388 Q C -1.468 174.704 176.000 0.287 0.000 0.978 388 Q CA -0.773 55.229 55.803 0.333 0.000 0.918 388 Q CB 2.566 31.431 28.738 0.212 0.000 1.415 388 Q HN 0.868 nan 8.270 nan 0.000 0.409 389 V N 4.278 124.356 119.914 0.273 0.000 2.459 389 V HA 0.555 4.675 4.120 -0.000 0.000 0.295 389 V C -0.869 175.257 176.094 0.054 0.000 1.029 389 V CA -0.677 61.676 62.300 0.088 0.000 0.874 389 V CB 1.542 33.339 31.823 -0.045 0.000 0.985 389 V HN 0.619 nan 8.190 nan 0.000 0.438 390 L N 5.322 126.582 121.223 0.061 0.000 2.333 390 L HA 0.573 4.913 4.340 -0.000 0.000 0.280 390 L C -0.192 176.599 176.870 -0.132 0.000 1.004 390 L CA -0.236 54.582 54.840 -0.036 0.000 0.820 390 L CB 1.897 44.019 42.059 0.104 0.000 1.247 390 L HN 0.372 nan 8.230 nan 0.000 0.416 391 V N 3.626 123.378 119.914 -0.271 0.000 2.465 391 V HA 0.409 4.528 4.120 -0.000 0.000 0.279 391 V C -0.551 175.299 176.094 -0.407 0.000 1.045 391 V CA -0.229 61.961 62.300 -0.183 0.000 0.938 391 V CB 0.936 32.696 31.823 -0.107 0.000 0.986 391 V HN 0.402 nan 8.190 nan 0.000 0.467 392 F N 4.636 124.604 119.950 0.029 0.000 2.499 392 F HA 0.545 5.072 4.527 -0.000 0.000 0.333 392 F C 0.070 175.884 175.800 0.024 0.000 1.138 392 F CA -0.586 57.432 58.000 0.030 0.000 0.945 392 F CB 1.292 40.315 39.000 0.038 0.000 1.181 392 F HN 0.207 nan 8.300 nan 0.000 0.435 393 L N 2.915 124.224 121.223 0.145 0.000 2.417 393 L HA 0.532 4.872 4.340 -0.000 0.000 0.268 393 L C 0.941 177.862 176.870 0.086 0.000 1.158 393 L CA -0.506 54.395 54.840 0.103 0.000 0.819 393 L CB 0.636 42.733 42.059 0.064 0.000 1.112 393 L HN 0.758 nan 8.230 nan 0.000 0.458 394 G N 1.570 110.417 108.800 0.077 0.000 2.476 394 G HA2 0.565 4.524 3.960 -0.000 0.000 0.286 394 G HA3 0.565 4.524 3.960 -0.000 0.000 0.286 394 G C -0.861 173.914 174.900 -0.208 0.000 1.177 394 G CA -0.270 44.840 45.100 0.016 0.000 0.870 394 G HN 0.731 nan 8.290 nan 0.000 0.528 395 Q N -1.648 117.886 119.800 -0.443 0.000 2.685 395 Q HA 0.452 4.792 4.340 -0.000 0.000 0.301 395 Q C 0.918 176.457 176.000 -0.768 0.000 0.924 395 Q CA -0.229 54.988 55.803 -0.976 0.000 0.755 395 Q CB 0.893 29.352 28.738 -0.465 0.000 1.470 395 Q HN 0.583 nan 8.270 nan 0.000 0.434 396 S N -0.173 115.125 115.700 -0.670 0.000 2.387 396 S HA -0.239 4.231 4.470 -0.000 0.000 0.230 396 S C 0.980 175.536 174.600 -0.073 0.000 1.035 396 S CA 1.810 59.936 58.200 -0.123 0.000 1.014 396 S CB -0.541 62.665 63.200 0.010 0.000 0.836 396 S HN 0.644 nan 8.310 nan 0.000 0.466 397 E N 1.204 121.336 120.200 -0.113 0.000 2.482 397 E HA 0.316 4.666 4.350 -0.000 0.000 0.196 397 E C 1.442 178.010 176.600 -0.054 0.000 1.047 397 E CA 0.287 56.649 56.400 -0.064 0.000 0.869 397 E CB -0.065 29.598 29.700 -0.061 0.000 0.836 397 E HN 0.723 nan 8.360 nan 0.000 0.520 398 G N 0.896 109.654 108.800 -0.070 0.000 1.829 398 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.214 398 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.214 398 G C -0.552 174.321 174.900 -0.044 0.000 1.627 398 G CA -0.570 44.508 45.100 -0.037 0.000 1.390 398 G HN 0.081 nan 8.290 nan 0.000 0.458 399 L N 0.796 121.996 121.223 -0.039 0.000 2.327 399 L HA 0.704 5.044 4.340 -0.000 0.000 0.258 399 L C 0.088 176.958 176.870 0.000 0.000 1.024 399 L CA -1.274 53.559 54.840 -0.013 0.000 0.825 399 L CB 2.060 44.108 42.059 -0.017 0.000 1.386 399 L HN 0.362 nan 8.230 nan 0.000 0.417 400 R N 0.273 120.812 120.500 0.066 0.000 2.410 400 R HA 0.185 4.525 4.340 -0.000 0.000 0.288 400 R C 0.750 177.140 176.300 0.150 0.000 1.051 400 R CA -0.185 55.967 56.100 0.086 0.000 1.021 400 R CB 1.576 31.934 30.300 0.097 0.000 1.032 400 R HN 0.687 nan 8.270 nan 0.000 0.481 401 S N 2.192 117.945 115.700 0.089 0.000 2.368 401 S HA -0.096 4.373 4.470 -0.000 0.000 0.224 401 S C 0.923 175.647 174.600 0.207 0.000 1.029 401 S CA 0.873 59.130 58.200 0.094 0.000 0.988 401 S CB 0.193 63.408 63.200 0.025 0.000 0.838 401 S HN 0.458 nan 8.310 nan 0.000 0.462 402 R N 2.286 122.873 120.500 0.145 0.000 2.340 402 R HA 0.292 4.632 4.340 -0.000 0.000 0.300 402 R C -2.615 173.724 176.300 0.064 0.000 1.069 402 R CA -1.946 54.214 56.100 0.100 0.000 0.984 402 R CB 0.717 31.038 30.300 0.035 0.000 1.003 402 R HN 0.263 nan 8.270 nan 0.000 0.459 403 P HA 0.023 nan 4.420 nan 0.000 0.275 403 P C -0.020 177.127 177.300 -0.255 0.000 1.228 403 P CA -0.180 62.612 63.100 -0.513 0.000 0.786 403 P CB 1.478 32.719 31.700 -0.765 0.000 0.927 404 S N 1.092 116.652 115.700 -0.234 0.000 2.461 404 S HA -0.060 4.410 4.470 -0.000 0.000 0.228 404 S C 0.677 175.210 174.600 -0.111 0.000 1.005 404 S CA 0.387 58.517 58.200 -0.116 0.000 0.942 404 S CB -0.251 62.909 63.200 -0.066 0.000 0.776 404 S HN 0.698 nan 8.310 nan 0.000 0.514 405 Q N -0.563 119.140 119.800 -0.161 0.000 2.479 405 Q HA 0.555 4.895 4.340 -0.000 0.000 0.276 405 Q C -2.478 173.441 176.000 -0.135 0.000 0.989 405 Q CA -0.640 55.095 55.803 -0.114 0.000 0.864 405 Q CB 2.136 30.826 28.738 -0.080 0.000 1.444 405 Q HN 0.121 nan 8.270 nan 0.000 0.388 406 V N 4.366 124.231 119.914 -0.081 0.000 2.443 406 V HA 0.433 4.553 4.120 -0.000 0.000 0.293 406 V C -0.578 175.503 176.094 -0.021 0.000 1.021 406 V CA -0.584 61.687 62.300 -0.049 0.000 0.848 406 V CB 1.579 33.388 31.823 -0.024 0.000 0.998 406 V HN 0.717 nan 8.190 nan 0.000 0.424 407 L N 4.778 125.994 121.223 -0.011 0.000 2.265 407 L HA 0.516 4.856 4.340 -0.000 0.000 0.288 407 L C -0.284 176.633 176.870 0.079 0.000 1.058 407 L CA -0.392 54.452 54.840 0.006 0.000 0.809 407 L CB 1.004 42.995 42.059 -0.114 0.000 1.179 407 L HN 0.529 nan 8.230 nan 0.000 0.429 408 D N 1.708 122.102 120.400 -0.009 0.000 2.175 408 D HA 0.079 4.719 4.640 -0.000 0.000 0.248 408 D C 0.053 176.106 176.300 -0.411 0.000 1.047 408 D CA -0.140 53.797 54.000 -0.105 0.000 0.883 408 D CB 1.993 42.752 40.800 -0.069 0.000 1.180 408 D HN 0.330 nan 8.370 nan 0.000 0.438 409 S N 2.157 117.445 115.700 -0.688 0.000 2.546 409 S HA 0.046 4.516 4.470 -0.000 0.000 0.290 409 S C -1.397 172.848 174.600 -0.592 0.000 1.262 409 S CA -0.898 56.608 58.200 -1.158 0.000 1.083 409 S CB 0.496 63.338 63.200 -0.597 0.000 0.859 409 S HN 0.283 nan 8.310 nan 0.000 0.495 410 P HA 0.180 nan 4.420 nan 0.000 0.251 410 P C -0.301 176.687 177.300 -0.521 0.000 1.223 410 P CA 0.121 62.920 63.100 -0.501 0.000 0.796 410 P CB 0.047 31.477 31.700 -0.449 0.000 1.068 411 F N 1.504 121.380 119.950 -0.123 0.000 2.380 411 F HA 0.478 5.005 4.527 -0.000 0.000 0.321 411 F C -1.695 174.065 175.800 -0.067 0.000 1.103 411 F CA -2.842 55.109 58.000 -0.082 0.000 1.067 411 F CB -0.926 38.072 39.000 -0.005 0.000 1.265 411 F HN -0.256 nan 8.300 nan 0.000 0.517 412 P HA 0.141 nan 4.420 nan 0.000 0.275 412 P C -0.552 176.798 177.300 0.084 0.000 1.266 412 P CA -0.491 62.655 63.100 0.077 0.000 0.793 412 P CB 0.233 31.963 31.700 0.051 0.000 1.074 413 T N 0.603 115.198 114.554 0.068 0.000 2.933 413 T HA 0.283 4.633 4.350 -0.000 0.000 0.306 413 T C 1.357 176.109 174.700 0.086 0.000 1.045 413 T CA 1.886 64.039 62.100 0.088 0.000 1.143 413 T CB -0.720 68.194 68.868 0.076 0.000 1.003 413 T HN 0.835 nan 8.240 nan 0.000 0.540 414 G N 2.067 110.946 108.800 0.132 0.000 2.195 414 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.246 414 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.246 414 G C 1.308 176.204 174.900 -0.008 0.000 0.984 414 G CA 0.932 46.102 45.100 0.118 0.000 0.633 414 G HN 1.052 nan 8.290 nan 0.000 0.525 415 S N 0.175 115.863 115.700 -0.021 0.000 2.419 415 S HA 0.303 4.773 4.470 -0.000 0.000 0.233 415 S C 2.083 176.521 174.600 -0.270 0.000 1.016 415 S CA 1.844 59.977 58.200 -0.112 0.000 0.974 415 S CB -0.335 62.897 63.200 0.054 0.000 0.786 415 S HN 2.458 nan 8.310 nan 0.000 0.492 416 A N -0.223 122.433 122.820 -0.273 0.000 2.925 416 A HA -0.194 4.126 4.320 -0.000 0.000 0.265 416 A C 0.175 177.707 177.584 -0.087 0.000 1.419 416 A CA 0.586 52.391 52.037 -0.387 0.000 0.807 416 A CB -3.001 15.650 19.000 -0.582 0.000 1.043 416 A HN 1.141 nan 8.150 nan 0.000 0.600 417 F N 0.492 120.392 119.950 -0.084 0.000 2.549 417 F HA 0.350 4.877 4.527 -0.000 0.000 0.400 417 F C 1.419 177.264 175.800 0.074 0.000 1.011 417 F CA 1.667 59.726 58.000 0.099 0.000 1.148 417 F CB -0.147 38.978 39.000 0.209 0.000 0.993 417 F HN 1.566 nan 8.300 nan 0.000 0.540 418 G N 5.051 113.574 108.800 -0.460 0.000 2.201 418 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.212 418 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.212 418 G C 0.772 175.602 174.900 -0.116 0.000 0.994 418 G CA 0.122 44.994 45.100 -0.380 0.000 0.644 418 G HN 0.747 nan 8.290 nan 0.000 0.508 419 F N 2.886 122.756 119.950 -0.134 0.000 2.202 419 F HA 0.172 4.698 4.527 -0.000 0.000 0.301 419 F C 1.544 177.271 175.800 -0.122 0.000 1.082 419 F CA 2.048 60.011 58.000 -0.062 0.000 1.313 419 F CB 0.165 39.205 39.000 0.066 0.000 1.024 419 F HN 0.398 nan 8.300 nan 0.000 0.495 420 S N 0.171 115.832 115.700 -0.065 0.000 2.542 420 S HA 0.750 5.220 4.470 -0.000 0.000 0.293 420 S C -1.024 173.496 174.600 -0.134 0.000 1.089 420 S CA -0.843 57.262 58.200 -0.159 0.000 0.961 420 S CB 2.534 65.675 63.200 -0.099 0.000 1.062 420 S HN 0.115 nan 8.310 nan 0.000 0.483 421 L N 1.049 122.192 121.223 -0.134 0.000 2.466 421 L HA 0.778 5.118 4.340 -0.000 0.000 0.258 421 L C -0.804 176.028 176.870 -0.064 0.000 0.973 421 L CA -0.752 54.030 54.840 -0.096 0.000 0.826 421 L CB 2.601 44.602 42.059 -0.097 0.000 1.372 421 L HN 0.765 nan 8.230 nan 0.000 0.409 422 R N 0.329 120.818 120.500 -0.018 0.000 2.594 422 R HA 0.783 5.123 4.340 -0.000 0.000 0.265 422 R C -0.994 175.468 176.300 0.269 0.000 1.070 422 R CA -0.025 56.115 56.100 0.066 0.000 0.909 422 R CB 2.177 32.447 30.300 -0.050 0.000 1.243 422 R HN 0.781 nan 8.270 nan 0.000 0.455 423 G N 0.454 109.441 108.800 0.313 0.000 2.976 423 G HA2 0.549 4.509 3.960 -0.000 0.000 0.276 423 G HA3 0.549 4.509 3.960 -0.000 0.000 0.276 423 G C -0.577 174.389 174.900 0.109 0.000 1.207 423 G CA -0.042 45.223 45.100 0.274 0.000 0.803 423 G HN 1.353 nan 8.290 nan 0.000 0.572 424 A N -2.276 120.542 122.820 -0.004 0.000 2.860 424 A HA 0.064 4.384 4.320 -0.000 0.000 0.267 424 A C 0.084 177.557 177.584 -0.184 0.000 1.421 424 A CA 1.175 53.176 52.037 -0.061 0.000 0.831 424 A CB -2.011 16.985 19.000 -0.008 0.000 1.041 424 A HN 1.767 nan 8.150 nan 0.000 0.623 425 V N -0.065 119.620 119.914 -0.380 0.000 2.808 425 V HA 0.522 4.642 4.120 -0.000 0.000 0.308 425 V C -0.644 175.124 176.094 -0.544 0.000 1.099 425 V CA -0.257 61.694 62.300 -0.581 0.000 0.920 425 V CB 2.083 33.243 31.823 -1.105 0.000 1.014 425 V HN 0.490 nan 8.190 nan 0.000 0.425 426 D N 3.275 123.461 120.400 -0.357 0.000 2.441 426 D HA 0.297 4.937 4.640 -0.000 0.000 0.221 426 D C 0.653 176.775 176.300 -0.296 0.000 1.156 426 D CA -0.019 53.827 54.000 -0.257 0.000 0.896 426 D CB 1.150 41.861 40.800 -0.148 0.000 1.028 426 D HN 0.536 nan 8.370 nan 0.000 0.509 427 I N 2.478 122.819 120.570 -0.382 0.000 2.584 427 I HA -0.107 4.063 4.170 -0.000 0.000 0.255 427 I C 1.073 176.843 176.117 -0.579 0.000 1.145 427 I CA 0.759 61.787 61.300 -0.454 0.000 1.462 427 I CB 0.390 38.079 38.000 -0.518 0.000 1.102 427 I HN 0.349 nan 8.210 nan 0.000 0.433 428 D N -1.187 118.912 120.400 -0.502 0.000 2.349 428 D HA -0.071 4.568 4.640 -0.000 0.000 0.214 428 D C 0.455 176.743 176.300 -0.020 0.000 1.063 428 D CA 0.194 54.056 54.000 -0.231 0.000 0.847 428 D CB -0.206 40.550 40.800 -0.074 0.000 0.933 428 D HN 0.248 nan 8.370 nan 0.000 0.513 429 D N 0.692 121.056 120.400 -0.060 0.000 2.775 429 D HA -0.184 4.456 4.640 -0.000 0.000 0.235 429 D C 0.130 176.446 176.300 0.027 0.000 1.120 429 D CA 0.959 54.953 54.000 -0.010 0.000 0.708 429 D CB -1.571 39.241 40.800 0.020 0.000 1.084 429 D HN 0.436 nan 8.370 nan 0.000 0.434 430 N N 0.024 118.750 118.700 0.043 0.000 2.230 430 N HA 0.232 4.971 4.740 -0.000 0.000 0.202 430 N C 1.529 177.149 175.510 0.184 0.000 1.119 430 N CA 0.950 54.059 53.050 0.098 0.000 0.851 430 N CB 0.409 38.947 38.487 0.086 0.000 0.990 430 N HN 0.551 nan 8.380 nan 0.000 0.497 431 G N -0.574 108.288 108.800 0.103 0.000 2.175 431 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 431 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 431 G C -0.817 174.026 174.900 -0.095 0.000 0.982 431 G CA 0.211 45.319 45.100 0.014 0.000 0.641 431 G HN 0.386 nan 8.290 nan 0.000 0.527 432 Y N 1.039 121.307 120.300 -0.053 0.000 2.391 432 Y HA 0.566 5.116 4.550 -0.000 0.000 0.341 432 Y C -2.095 173.758 175.900 -0.078 0.000 0.965 432 Y CA -2.530 55.541 58.100 -0.050 0.000 1.067 432 Y CB 2.405 40.847 38.460 -0.029 0.000 1.199 432 Y HN -0.037 nan 8.280 nan 0.000 0.450 433 P HA 0.127 nan 4.420 nan 0.000 0.275 433 P C -0.879 176.417 177.300 -0.007 0.000 1.227 433 P CA -0.034 63.040 63.100 -0.044 0.000 0.781 433 P CB 1.581 33.248 31.700 -0.055 0.000 0.906 434 D N 1.315 121.676 120.400 -0.064 0.000 2.506 434 D HA 0.548 5.188 4.640 -0.000 0.000 0.254 434 D C -0.570 175.808 176.300 0.131 0.000 1.089 434 D CA -0.225 53.788 54.000 0.022 0.000 1.050 434 D CB 1.121 41.901 40.800 -0.033 0.000 1.221 434 D HN 0.172 nan 8.370 nan 0.000 0.589 435 L N 0.825 122.180 121.223 0.220 0.000 2.410 435 L HA 0.489 4.829 4.340 -0.000 0.000 0.270 435 L C -1.167 175.889 176.870 0.309 0.000 0.983 435 L CA -0.670 54.325 54.840 0.257 0.000 0.822 435 L CB 1.410 43.555 42.059 0.142 0.000 1.285 435 L HN 0.388 nan 8.230 nan 0.000 0.409 436 I N 3.193 123.902 120.570 0.232 0.000 2.404 436 I HA 0.767 4.937 4.170 -0.000 0.000 0.293 436 I C -1.158 175.014 176.117 0.091 0.000 0.992 436 I CA -0.890 60.493 61.300 0.138 0.000 1.149 436 I CB 1.845 39.784 38.000 -0.102 0.000 1.315 436 I HN 0.296 nan 8.210 nan 0.000 0.446 437 V N 5.066 125.084 119.914 0.172 0.000 2.487 437 V HA 0.665 4.785 4.120 -0.000 0.000 0.298 437 V C 0.703 176.869 176.094 0.119 0.000 1.028 437 V CA -0.411 61.922 62.300 0.055 0.000 0.860 437 V CB 1.483 33.285 31.823 -0.035 0.000 0.991 437 V HN 0.976 nan 8.190 nan 0.000 0.427 438 G N 2.807 111.627 108.800 0.033 0.000 2.377 438 G HA2 0.627 4.587 3.960 -0.000 0.000 0.299 438 G HA3 0.627 4.587 3.960 -0.000 0.000 0.299 438 G C -0.271 174.692 174.900 0.105 0.000 1.150 438 G CA -0.195 44.959 45.100 0.090 0.000 0.847 438 G HN 1.163 nan 8.290 nan 0.000 0.501 439 A N 2.136 125.012 122.820 0.094 0.000 2.893 439 A HA 0.478 4.798 4.320 -0.000 0.000 0.333 439 A C 0.385 177.927 177.584 -0.069 0.000 1.152 439 A CA -0.681 51.351 52.037 -0.008 0.000 0.782 439 A CB 0.036 18.958 19.000 -0.131 0.000 1.108 439 A HN 1.040 nan 8.150 nan 0.000 0.469 440 Y N 0.477 120.788 120.300 0.018 0.000 2.224 440 Y HA 0.058 4.608 4.550 -0.000 0.000 0.289 440 Y C 1.729 177.648 175.900 0.032 0.000 1.146 440 Y CA 1.581 59.719 58.100 0.064 0.000 1.182 440 Y CB -0.727 37.826 38.460 0.156 0.000 0.983 440 Y HN 0.394 nan 8.280 nan 0.000 0.524 441 G N 0.650 109.074 108.800 -0.628 0.000 2.442 441 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 441 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 441 G C 1.646 176.450 174.900 -0.159 0.000 1.141 441 G CA 1.035 45.911 45.100 -0.373 0.000 0.763 441 G HN 0.694 nan 8.290 nan 0.000 0.554 442 A N 0.050 122.749 122.820 -0.202 0.000 2.275 442 A HA 0.250 4.570 4.320 -0.000 0.000 0.212 442 A C 1.188 178.673 177.584 -0.164 0.000 1.201 442 A CA 0.658 52.566 52.037 -0.215 0.000 0.843 442 A CB -0.126 18.612 19.000 -0.437 0.000 0.873 442 A HN 0.332 nan 8.150 nan 0.000 0.492 443 N N -0.360 118.312 118.700 -0.047 0.000 2.754 443 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 443 N C -0.393 175.186 175.510 0.115 0.000 1.093 443 N CA 1.436 54.533 53.050 0.079 0.000 0.699 443 N CB -1.527 36.967 38.487 0.011 0.000 1.016 443 N HN 0.810 nan 8.380 nan 0.000 0.552 444 Q N -0.924 118.927 119.800 0.084 0.000 2.501 444 Q HA 0.735 5.075 4.340 -0.000 0.000 0.288 444 Q C -0.877 175.287 176.000 0.275 0.000 1.051 444 Q CA -0.847 55.054 55.803 0.163 0.000 0.788 444 Q CB 2.753 31.408 28.738 -0.138 0.000 1.469 444 Q HN 0.015 nan 8.270 nan 0.000 0.416 445 V N 0.497 120.707 119.914 0.495 0.000 2.680 445 V HA 0.828 4.948 4.120 -0.000 0.000 0.309 445 V C -1.062 175.386 176.094 0.589 0.000 1.052 445 V CA -0.715 61.859 62.300 0.458 0.000 0.908 445 V CB 1.761 33.802 31.823 0.364 0.000 1.001 445 V HN 0.826 nan 8.190 nan 0.000 0.431 446 A N 3.882 127.032 122.820 0.550 0.000 2.318 446 A HA 0.837 5.157 4.320 -0.000 0.000 0.317 446 A C -0.871 176.845 177.584 0.220 0.000 1.159 446 A CA -0.518 51.739 52.037 0.367 0.000 0.799 446 A CB 1.405 20.711 19.000 0.510 0.000 1.194 446 A HN 0.668 nan 8.150 nan 0.000 0.479 447 V N 3.002 122.947 119.914 0.051 0.000 2.394 447 V HA 0.383 4.503 4.120 -0.000 0.000 0.282 447 V C -1.067 174.979 176.094 -0.080 0.000 1.031 447 V CA -0.302 62.082 62.300 0.140 0.000 0.881 447 V CB 0.633 32.640 31.823 0.307 0.000 0.982 447 V HN 0.746 nan 8.190 nan 0.000 0.451 448 Y N 3.555 123.913 120.300 0.096 0.000 2.352 448 Y HA 0.633 5.183 4.550 -0.000 0.000 0.339 448 Y C 0.493 176.418 175.900 0.040 0.000 0.992 448 Y CA -0.743 57.393 58.100 0.061 0.000 1.100 448 Y CB 1.606 40.109 38.460 0.071 0.000 1.192 448 Y HN 0.471 nan 8.280 nan 0.000 0.458 449 R N 1.642 122.227 120.500 0.141 0.000 2.407 449 R HA 0.758 5.098 4.340 -0.000 0.000 0.303 449 R C -0.602 175.730 176.300 0.052 0.000 0.981 449 R CA -0.897 55.240 56.100 0.062 0.000 0.905 449 R CB 1.352 31.672 30.300 0.034 0.000 1.099 449 R HN 0.792 nan 8.270 nan 0.000 0.459 450 A N 3.181 126.020 122.820 0.030 0.000 2.366 450 A HA 0.237 4.557 4.320 -0.000 0.000 0.272 450 A C -0.450 177.042 177.584 -0.154 0.000 1.135 450 A CA -0.476 51.563 52.037 0.003 0.000 0.804 450 A CB 0.602 19.663 19.000 0.101 0.000 1.064 450 A HN 0.498 nan 8.150 nan 0.000 0.499 451 Q N 1.477 121.140 119.800 -0.229 0.000 2.297 451 Q HA 0.523 4.863 4.340 -0.000 0.000 0.269 451 Q C -2.490 173.152 176.000 -0.595 0.000 1.051 451 Q CA -2.070 53.512 55.803 -0.368 0.000 0.869 451 Q CB 0.331 28.963 28.738 -0.176 0.000 1.346 451 Q HN 0.466 nan 8.270 nan 0.000 0.457 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 62.861 63.100 -0.398 0.000 0.800 452 P CB 0.000 31.586 31.700 -0.190 0.000 0.726