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 1bwd_1_B DATA FIRST_RESID 1 DATA SEQUENCE RSLVSVHNEW DPLEEVIVGT AVGARVPTAD RSVFAVEYAG DYESQEQIPS DATA SEQUENCE GAYPDRVLKE TEEELHVLAA ELTKLGVTVR RPGPRDHSAL IKTPDWETDG DATA SEQUENCE FHDYCPRDGL LSVGQTIIET PMALRSRFLE SLAYKDLLLE YFASGSRWLS DATA SEQUENCE APKPRLTDDS YAPQAPAGER LTDEEPVFDA ANVLRFGTDL LYLVSDSGNE DATA SEQUENCE LGAKWLQSAV GDTYTVHPCR KLYASTHVDS TIVPLRPGLV LTNPSRVNDE DATA SEQUENCE NMPDFLRSWE NITCPELVDI GFTGDKPHCS VWIGMNLLVV RPDLAVVDRR DATA SEQUENCE QTALIRLLEK HGMNVLPLQL THSRTLGGGF HCATLDVRRT GALETYQF 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 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.292 176.300 -0.014 0.000 0.893 1 R CA 0.000 56.096 56.100 -0.007 0.000 0.921 1 R CB 0.000 30.297 30.300 -0.004 0.000 0.687 2 S N 2.108 117.797 115.700 -0.018 0.000 2.563 2 S HA 0.056 4.526 4.470 -0.000 0.000 0.284 2 S C 1.088 175.651 174.600 -0.061 0.000 1.331 2 S CA -0.157 58.023 58.200 -0.033 0.000 1.047 2 S CB 0.532 63.714 63.200 -0.030 0.000 0.859 2 S HN 0.602 nan 8.310 nan 0.000 0.514 3 L N 3.032 124.201 121.223 -0.090 0.000 2.446 3 L HA 0.195 4.535 4.340 -0.000 0.000 0.219 3 L C 0.229 176.919 176.870 -0.300 0.000 1.116 3 L CA 0.078 54.831 54.840 -0.146 0.000 0.844 3 L CB 0.097 42.116 42.059 -0.066 0.000 0.970 3 L HN 0.509 nan 8.230 nan 0.000 0.457 4 V N 0.053 119.771 119.914 -0.326 0.000 2.284 4 V HA 0.186 4.306 4.120 -0.000 0.000 0.260 4 V C 0.025 175.993 176.094 -0.210 0.000 1.084 4 V CA 0.047 62.141 62.300 -0.343 0.000 0.894 4 V CB 0.779 32.397 31.823 -0.341 0.000 1.119 4 V HN 0.113 nan 8.190 nan 0.000 0.484 5 S N 4.073 119.650 115.700 -0.204 0.000 2.779 5 S HA 0.736 5.206 4.470 -0.000 0.000 0.293 5 S C -1.182 173.231 174.600 -0.310 0.000 1.150 5 S CA -0.445 57.633 58.200 -0.205 0.000 1.057 5 S CB 1.441 64.585 63.200 -0.092 0.000 1.021 5 S HN 0.598 nan 8.310 nan 0.000 0.485 6 V N 6.054 125.650 119.914 -0.529 0.000 2.823 6 V HA 0.467 4.587 4.120 -0.000 0.000 0.296 6 V C -1.123 174.604 176.094 -0.612 0.000 1.250 6 V CA -0.378 61.637 62.300 -0.476 0.000 0.939 6 V CB 1.805 33.471 31.823 -0.262 0.000 1.062 6 V HN 1.061 nan 8.190 nan 0.000 0.433 7 H N 4.235 123.265 119.070 -0.067 0.000 2.874 7 H HA 0.425 4.981 4.556 -0.000 0.000 0.264 7 H C 0.404 175.671 175.328 -0.102 0.000 1.007 7 H CA 0.498 56.533 56.048 -0.021 0.000 1.207 7 H CB 0.611 30.386 29.762 0.022 0.000 1.487 7 H HN 0.801 nan 8.280 nan 0.000 0.505 8 N N -1.637 116.924 118.700 -0.232 0.000 3.179 8 N HA 0.043 4.783 4.740 -0.000 0.000 0.250 8 N C -0.167 175.028 175.510 -0.526 0.000 1.507 8 N CA -0.611 52.119 53.050 -0.534 0.000 0.883 8 N CB 0.906 38.602 38.487 -1.318 0.000 1.435 8 N HN -0.253 nan 8.380 nan 0.000 0.532 9 E N -1.280 118.616 120.200 -0.507 0.000 2.427 9 E HA 0.121 4.471 4.350 -0.000 0.000 0.196 9 E C 0.128 176.750 176.600 0.036 0.000 1.028 9 E CA 1.159 57.492 56.400 -0.112 0.000 0.864 9 E CB -0.076 29.659 29.700 0.058 0.000 0.813 9 E HN 0.702 nan 8.360 nan 0.000 0.514 10 W N -1.718 119.589 121.300 0.012 0.000 2.661 10 W HA 0.426 5.086 4.660 -0.000 0.000 0.288 10 W C -0.020 176.519 176.519 0.033 0.000 1.014 10 W CA -0.547 56.811 57.345 0.022 0.000 1.396 10 W CB -0.069 29.402 29.460 0.019 0.000 0.963 10 W HN -0.341 nan 8.180 nan 0.000 0.584 11 D N 3.003 123.240 120.400 -0.272 0.000 2.341 11 D HA 0.005 4.645 4.640 -0.000 0.000 0.235 11 D C -2.160 174.150 176.300 0.017 0.000 1.265 11 D CA -0.891 53.083 54.000 -0.043 0.000 0.888 11 D CB 0.151 40.888 40.800 -0.104 0.000 1.192 11 D HN -0.188 nan 8.370 nan 0.000 0.462 12 P HA 0.020 nan 4.420 nan 0.000 0.264 12 P C -0.124 177.186 177.300 0.016 0.000 1.236 12 P CA -0.369 62.756 63.100 0.040 0.000 0.811 12 P CB 0.116 31.843 31.700 0.045 0.000 0.840 13 L N 4.285 125.518 121.223 0.017 0.000 2.615 13 L HA -0.059 4.281 4.340 -0.000 0.000 0.271 13 L C 1.198 178.072 176.870 0.006 0.000 1.183 13 L CA 1.136 55.979 54.840 0.006 0.000 0.933 13 L CB -0.314 41.756 42.059 0.018 0.000 1.199 13 L HN 0.422 nan 8.230 nan 0.000 0.487 14 E N 3.099 123.296 120.200 -0.005 0.000 2.206 14 E HA 0.079 4.429 4.350 -0.000 0.000 0.195 14 E C -0.114 176.488 176.600 0.004 0.000 0.935 14 E CA 0.226 56.625 56.400 -0.001 0.000 0.875 14 E CB 0.626 30.320 29.700 -0.010 0.000 0.841 14 E HN 0.689 nan 8.360 nan 0.000 0.477 15 E N 0.942 121.140 120.200 -0.004 0.000 2.304 15 E HA 0.338 4.688 4.350 -0.000 0.000 0.277 15 E C -1.447 175.162 176.600 0.014 0.000 0.898 15 E CA -0.536 55.873 56.400 0.016 0.000 0.764 15 E CB 1.944 31.657 29.700 0.022 0.000 1.216 15 E HN -0.105 nan 8.360 nan 0.000 0.419 16 V N 2.537 122.475 119.914 0.040 0.000 3.126 16 V HA 0.628 4.748 4.120 -0.000 0.000 0.314 16 V C -0.162 175.977 176.094 0.076 0.000 1.138 16 V CA -1.016 61.309 62.300 0.042 0.000 1.034 16 V CB 1.826 33.674 31.823 0.041 0.000 1.075 16 V HN 0.674 nan 8.190 nan 0.000 0.442 17 I N 0.636 121.251 120.570 0.075 0.000 2.433 17 I HA 0.432 4.602 4.170 -0.000 0.000 0.292 17 I C 0.425 176.596 176.117 0.089 0.000 1.001 17 I CA -0.382 60.982 61.300 0.106 0.000 1.119 17 I CB 2.090 40.171 38.000 0.136 0.000 1.289 17 I HN 0.407 nan 8.210 nan 0.000 0.438 18 V N 4.034 124.008 119.914 0.100 0.000 2.599 18 V HA 0.473 4.593 4.120 -0.000 0.000 0.237 18 V C 0.750 176.900 176.094 0.093 0.000 1.081 18 V CA 0.776 63.129 62.300 0.088 0.000 1.107 18 V CB -0.001 31.882 31.823 0.099 0.000 0.808 18 V HN 1.025 nan 8.190 nan 0.000 0.486 19 G N 0.804 109.676 108.800 0.119 0.000 2.906 19 G HA2 0.003 3.963 3.960 -0.000 0.000 0.686 19 G HA3 0.003 3.963 3.960 -0.000 0.000 0.686 19 G C -0.385 174.615 174.900 0.166 0.000 1.170 19 G CA -0.406 44.779 45.100 0.142 0.000 0.775 19 G HN 0.500 nan 8.290 nan 0.000 0.630 20 T N -0.235 114.423 114.554 0.173 0.000 2.910 20 T HA 0.814 5.164 4.350 -0.000 0.000 0.279 20 T C 1.288 176.092 174.700 0.172 0.000 0.989 20 T CA 0.256 62.451 62.100 0.157 0.000 0.968 20 T CB 2.067 71.004 68.868 0.116 0.000 1.135 20 T HN 1.990 nan 8.240 nan 0.000 0.562 21 A N -0.300 122.555 122.820 0.059 0.000 2.469 21 A HA 0.480 4.800 4.320 -0.000 0.000 0.245 21 A C 1.913 179.491 177.584 -0.011 0.000 1.221 21 A CA -0.225 51.768 52.037 -0.073 0.000 0.946 21 A CB -0.534 18.350 19.000 -0.194 0.000 1.049 21 A HN 0.551 nan 8.150 nan 0.000 0.529 22 V N 0.274 120.223 119.914 0.059 0.000 2.250 22 V HA -0.264 3.856 4.120 -0.000 0.000 0.253 22 V C 2.076 178.240 176.094 0.117 0.000 1.065 22 V CA 2.526 64.874 62.300 0.079 0.000 1.039 22 V CB -0.464 31.408 31.823 0.082 0.000 0.647 22 V HN 0.633 nan 8.190 nan 0.000 0.446 23 G N -1.495 107.438 108.800 0.222 0.000 4.144 23 G HA2 0.525 4.485 3.960 -0.000 0.000 0.297 23 G HA3 0.525 4.485 3.960 -0.000 0.000 0.297 23 G C 0.216 175.225 174.900 0.182 0.000 1.090 23 G CA 0.393 45.643 45.100 0.250 0.000 0.870 23 G HN 0.641 nan 8.290 nan 0.000 0.532 24 A N 1.414 124.286 122.820 0.086 0.000 2.584 24 A HA 0.511 4.831 4.320 -0.000 0.000 0.239 24 A C 0.864 178.559 177.584 0.185 0.000 1.043 24 A CA 0.374 52.475 52.037 0.107 0.000 0.756 24 A CB 0.079 19.087 19.000 0.015 0.000 0.963 24 A HN 0.826 nan 8.150 nan 0.000 0.511 25 R N 0.367 120.903 120.500 0.061 0.000 2.795 25 R HA 0.699 5.039 4.340 -0.000 0.000 0.268 25 R C -1.978 174.134 176.300 -0.314 0.000 1.041 25 R CA -0.910 55.075 56.100 -0.193 0.000 0.927 25 R CB 1.150 31.401 30.300 -0.082 0.000 1.235 25 R HN 0.331 nan 8.270 nan 0.000 0.463 26 V N 2.684 122.354 119.914 -0.408 0.000 2.350 26 V HA 0.375 4.495 4.120 -0.000 0.000 0.276 26 V C -1.880 174.135 176.094 -0.130 0.000 1.028 26 V CA -1.964 60.169 62.300 -0.278 0.000 0.860 26 V CB 1.191 32.788 31.823 -0.376 0.000 0.990 26 V HN 0.727 nan 8.190 nan 0.000 0.453 27 P HA 0.040 nan 4.420 nan 0.000 0.272 27 P C 0.265 177.540 177.300 -0.041 0.000 1.254 27 P CA 0.000 63.120 63.100 0.034 0.000 0.795 27 P CB 0.431 32.206 31.700 0.125 0.000 1.022 28 T N -0.354 114.178 114.554 -0.036 0.000 2.903 28 T HA 0.295 4.645 4.350 -0.000 0.000 0.314 28 T C 0.378 175.028 174.700 -0.084 0.000 1.078 28 T CA -0.194 61.866 62.100 -0.067 0.000 1.114 28 T CB -0.412 68.431 68.868 -0.042 0.000 0.987 28 T HN 0.497 nan 8.240 nan 0.000 0.548 29 A N 3.587 126.334 122.820 -0.122 0.000 2.531 29 A HA 0.437 4.757 4.320 -0.000 0.000 0.236 29 A C 0.355 177.873 177.584 -0.110 0.000 1.062 29 A CA -0.078 51.871 52.037 -0.146 0.000 0.760 29 A CB -0.005 18.877 19.000 -0.196 0.000 0.995 29 A HN 0.948 nan 8.150 nan 0.000 0.501 30 D N 1.274 121.618 120.400 -0.094 0.000 2.721 30 D HA 0.070 4.710 4.640 -0.000 0.000 0.221 30 D C 0.639 176.897 176.300 -0.071 0.000 1.208 30 D CA -0.604 53.342 54.000 -0.090 0.000 0.755 30 D CB 0.694 41.426 40.800 -0.113 0.000 1.732 30 D HN 0.519 nan 8.370 nan 0.000 0.490 31 R N 1.484 121.945 120.500 -0.064 0.000 2.196 31 R HA -0.308 4.032 4.340 -0.000 0.000 0.244 31 R C 2.101 178.241 176.300 -0.267 0.000 1.121 31 R CA 3.504 59.580 56.100 -0.039 0.000 0.930 31 R CB -0.499 29.801 30.300 0.001 0.000 0.890 31 R HN 0.552 nan 8.270 nan 0.000 0.435 32 S N -0.511 114.764 115.700 -0.709 0.000 2.359 32 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 32 S C 2.098 176.402 174.600 -0.493 0.000 1.035 32 S CA 1.542 59.002 58.200 -1.234 0.000 1.018 32 S CB -0.929 61.553 63.200 -1.198 0.000 0.876 32 S HN 0.282 nan 8.310 nan 0.000 0.448 33 V N 0.605 120.384 119.914 -0.225 0.000 2.407 33 V HA -0.049 4.071 4.120 -0.000 0.000 0.248 33 V C 2.052 178.235 176.094 0.149 0.000 1.055 33 V CA 2.028 64.329 62.300 0.001 0.000 1.049 33 V CB -0.854 31.037 31.823 0.113 0.000 0.662 33 V HN 0.533 nan 8.190 nan 0.000 0.455 34 F N 1.516 121.450 119.950 -0.027 0.000 2.031 34 F HA -0.114 4.413 4.527 -0.000 0.000 0.295 34 F C 2.316 178.130 175.800 0.023 0.000 1.133 34 F CA 1.965 59.991 58.000 0.043 0.000 1.188 34 F CB -1.195 37.803 39.000 -0.004 0.000 0.974 34 F HN 0.182 nan 8.300 nan 0.000 0.473 35 A N -0.099 122.650 122.820 -0.119 0.000 1.883 35 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 35 A C 2.348 179.860 177.584 -0.121 0.000 1.186 35 A CA 2.744 54.678 52.037 -0.170 0.000 0.624 35 A CB -1.650 17.352 19.000 0.002 0.000 0.822 35 A HN 0.557 nan 8.150 nan 0.000 0.444 36 V N -2.420 117.437 119.914 -0.095 0.000 2.951 36 V HA 0.045 4.165 4.120 -0.000 0.000 0.255 36 V C 1.547 177.579 176.094 -0.105 0.000 1.088 36 V CA 2.314 64.576 62.300 -0.064 0.000 1.109 36 V CB -0.030 31.775 31.823 -0.030 0.000 0.724 36 V HN 0.584 nan 8.190 nan 0.000 0.471 37 E N -1.513 118.614 120.200 -0.122 0.000 2.406 37 E HA 0.145 4.495 4.350 -0.000 0.000 0.204 37 E C 1.284 177.665 176.600 -0.365 0.000 0.820 37 E CA 0.499 56.747 56.400 -0.254 0.000 1.136 37 E CB 0.441 29.963 29.700 -0.296 0.000 1.129 37 E HN 0.705 nan 8.360 nan 0.000 0.530 38 Y N -0.297 120.060 120.300 0.096 0.000 2.481 38 Y HA 0.376 4.926 4.550 -0.000 0.000 0.247 38 Y C 0.852 176.810 175.900 0.096 0.000 1.151 38 Y CA -0.108 58.115 58.100 0.205 0.000 1.238 38 Y CB 0.986 39.662 38.460 0.359 0.000 1.179 38 Y HN -0.060 nan 8.280 nan 0.000 0.524 39 A N 0.552 123.220 122.820 -0.254 0.000 3.074 39 A HA 0.526 4.846 4.320 -0.000 0.000 0.251 39 A C 1.507 178.965 177.584 -0.211 0.000 1.695 39 A CA 0.892 52.536 52.037 -0.655 0.000 1.343 39 A CB -1.261 16.933 19.000 -1.343 0.000 1.078 39 A HN 0.480 nan 8.150 nan 0.000 0.644 40 G N -1.298 107.487 108.800 -0.026 0.000 3.258 40 G HA2 0.146 4.106 3.960 -0.000 0.000 0.175 40 G HA3 0.146 4.106 3.960 -0.000 0.000 0.175 40 G C 0.297 175.198 174.900 0.002 0.000 1.261 40 G CA 0.416 45.506 45.100 -0.017 0.000 0.881 40 G HN 0.375 nan 8.290 nan 0.000 0.851 41 D N -0.601 119.819 120.400 0.034 0.000 2.461 41 D HA 0.212 4.852 4.640 -0.000 0.000 0.266 41 D C -0.238 175.944 176.300 -0.196 0.000 1.085 41 D CA 0.275 54.200 54.000 -0.124 0.000 0.887 41 D CB 0.742 41.408 40.800 -0.223 0.000 1.309 41 D HN 0.313 nan 8.370 nan 0.000 0.498 42 Y N 1.370 121.799 120.300 0.215 0.000 2.457 42 Y HA 0.276 4.826 4.550 -0.000 0.000 0.333 42 Y C 1.651 177.718 175.900 0.279 0.000 1.119 42 Y CA -0.669 57.563 58.100 0.220 0.000 1.143 42 Y CB 1.799 40.388 38.460 0.215 0.000 1.230 42 Y HN -0.308 nan 8.280 nan 0.000 0.469 43 E N 0.684 121.079 120.200 0.325 0.000 2.106 43 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 43 E C -0.085 176.654 176.600 0.230 0.000 0.984 43 E CA 1.192 57.729 56.400 0.228 0.000 0.806 43 E CB 0.266 30.042 29.700 0.126 0.000 0.750 43 E HN 0.567 nan 8.360 nan 0.000 0.458 44 S N -1.745 113.983 115.700 0.047 0.000 2.550 44 S HA 0.056 4.526 4.470 -0.000 0.000 0.270 44 S C 0.561 174.657 174.600 -0.840 0.000 1.145 44 S CA -0.541 57.428 58.200 -0.385 0.000 0.852 44 S CB 1.504 64.577 63.200 -0.212 0.000 1.119 44 S HN 0.173 nan 8.310 nan 0.000 0.465 45 Q N 1.099 119.966 119.800 -1.555 0.000 2.268 45 Q HA -0.199 4.140 4.340 -0.000 0.000 0.210 45 Q C 0.932 176.615 176.000 -0.529 0.000 0.988 45 Q CA 2.067 57.202 55.803 -1.113 0.000 0.883 45 Q CB -0.585 27.675 28.738 -0.796 0.000 0.911 45 Q HN 0.823 nan 8.270 nan 0.000 0.430 46 E N 0.862 120.821 120.200 -0.402 0.000 2.409 46 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 46 E C 1.423 177.863 176.600 -0.267 0.000 1.024 46 E CA 0.767 57.005 56.400 -0.269 0.000 0.861 46 E CB -0.054 29.533 29.700 -0.189 0.000 0.788 46 E HN 0.667 nan 8.360 nan 0.000 0.521 47 Q N 0.297 119.913 119.800 -0.306 0.000 2.408 47 Q HA 0.174 4.514 4.340 -0.000 0.000 0.205 47 Q C 0.566 176.129 176.000 -0.728 0.000 0.919 47 Q CA -0.256 55.359 55.803 -0.314 0.000 0.932 47 Q CB 0.340 29.043 28.738 -0.057 0.000 1.058 47 Q HN 0.229 nan 8.270 nan 0.000 0.517 48 I N 3.942 124.008 120.570 -0.839 0.000 2.826 48 I HA -0.080 4.090 4.170 -0.000 0.000 0.295 48 I C -1.706 173.953 176.117 -0.762 0.000 1.213 48 I CA -0.906 59.748 61.300 -1.077 0.000 1.436 48 I CB 0.508 38.089 38.000 -0.698 0.000 1.348 48 I HN -0.013 nan 8.210 nan 0.000 0.570 49 P HA 0.074 nan 4.420 nan 0.000 0.226 49 P C -0.363 176.709 177.300 -0.380 0.000 1.783 49 P CA -0.202 62.645 63.100 -0.421 0.000 0.980 49 P CB -0.196 31.331 31.700 -0.288 0.000 1.967 50 S N 0.715 116.211 115.700 -0.340 0.000 2.549 50 S HA 0.387 4.857 4.470 -0.000 0.000 0.278 50 S C 1.115 175.572 174.600 -0.239 0.000 1.344 50 S CA 1.118 59.160 58.200 -0.264 0.000 1.025 50 S CB -0.061 63.021 63.200 -0.198 0.000 0.851 50 S HN 0.765 nan 8.310 nan 0.000 0.530 51 G N -0.335 108.329 108.800 -0.227 0.000 2.392 51 G HA2 0.426 4.386 3.960 -0.000 0.000 0.677 51 G HA3 0.426 4.386 3.960 -0.000 0.000 0.677 51 G C -0.780 173.951 174.900 -0.282 0.000 1.334 51 G CA -0.548 44.426 45.100 -0.209 0.000 0.961 51 G HN 1.100 nan 8.290 nan 0.000 0.616 52 A N -0.095 122.607 122.820 -0.196 0.000 2.401 52 A HA 0.694 5.014 4.320 -0.000 0.000 0.259 52 A C 0.092 177.550 177.584 -0.211 0.000 1.103 52 A CA -0.236 51.694 52.037 -0.179 0.000 0.789 52 A CB 0.042 19.006 19.000 -0.059 0.000 1.035 52 A HN 1.162 nan 8.150 nan 0.000 0.491 53 Y N 2.363 122.605 120.300 -0.097 0.000 2.683 53 Y HA 0.186 4.736 4.550 -0.000 0.000 0.340 53 Y C -1.351 174.484 175.900 -0.107 0.000 1.245 53 Y CA -0.927 57.104 58.100 -0.115 0.000 1.485 53 Y CB -0.168 38.198 38.460 -0.157 0.000 1.328 53 Y HN 0.503 nan 8.280 nan 0.000 0.603 54 P HA -0.094 nan 4.420 nan 0.000 0.265 54 P C 0.162 177.440 177.300 -0.036 0.000 1.193 54 P CA 0.187 63.282 63.100 -0.009 0.000 0.765 54 P CB 0.796 32.484 31.700 -0.020 0.000 0.823 55 D N 2.289 122.670 120.400 -0.032 0.000 2.158 55 D HA -0.208 4.432 4.640 -0.000 0.000 0.197 55 D C 1.871 178.136 176.300 -0.058 0.000 0.995 55 D CA 1.424 55.403 54.000 -0.036 0.000 0.846 55 D CB 0.120 40.908 40.800 -0.021 0.000 0.941 55 D HN 0.466 nan 8.370 nan 0.000 0.456 56 R N 0.642 121.104 120.500 -0.062 0.000 2.096 56 R HA -0.176 4.164 4.340 -0.000 0.000 0.240 56 R C 2.569 178.779 176.300 -0.150 0.000 1.139 56 R CA 1.769 57.831 56.100 -0.063 0.000 0.952 56 R CB -0.309 29.966 30.300 -0.041 0.000 0.854 56 R HN 0.209 nan 8.270 nan 0.000 0.436 57 V N -0.825 118.886 119.914 -0.339 0.000 2.358 57 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 57 V C 1.992 177.882 176.094 -0.340 0.000 1.047 57 V CA 1.654 63.517 62.300 -0.728 0.000 1.035 57 V CB -0.570 30.674 31.823 -0.966 0.000 0.658 57 V HN 0.283 nan 8.190 nan 0.000 0.452 58 L N -0.547 120.548 121.223 -0.213 0.000 2.046 58 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 58 L C 2.801 179.626 176.870 -0.076 0.000 1.077 58 L CA 2.054 56.807 54.840 -0.145 0.000 0.747 58 L CB -0.810 41.197 42.059 -0.087 0.000 0.896 58 L HN 0.294 nan 8.230 nan 0.000 0.432 59 K N 0.827 121.199 120.400 -0.047 0.000 1.987 59 K HA -0.197 4.123 4.320 -0.000 0.000 0.216 59 K C 1.994 178.604 176.600 0.017 0.000 1.051 59 K CA 1.691 57.972 56.287 -0.010 0.000 0.942 59 K CB -0.283 32.215 32.500 -0.003 0.000 0.722 59 K HN 0.272 nan 8.250 nan 0.000 0.444 60 E N -0.754 119.473 120.200 0.044 0.000 2.058 60 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 60 E C 1.896 178.549 176.600 0.087 0.000 0.997 60 E CA 1.877 58.333 56.400 0.092 0.000 0.801 60 E CB -0.272 29.544 29.700 0.194 0.000 0.746 60 E HN 0.588 nan 8.360 nan 0.000 0.450 61 T N -1.032 113.572 114.554 0.083 0.000 2.951 61 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 61 T C 1.827 176.542 174.700 0.026 0.000 1.073 61 T CA 1.176 63.294 62.100 0.030 0.000 1.134 61 T CB 0.010 68.834 68.868 -0.074 0.000 0.884 61 T HN 0.003 nan 8.240 nan 0.000 0.479 62 E N 2.230 122.440 120.200 0.016 0.000 2.150 62 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 62 E C 2.315 178.965 176.600 0.083 0.000 0.985 62 E CA 1.482 57.908 56.400 0.044 0.000 0.814 62 E CB -0.225 29.488 29.700 0.022 0.000 0.752 62 E HN 0.846 nan 8.360 nan 0.000 0.466 63 E N 0.320 120.568 120.200 0.080 0.000 2.112 63 E HA -0.194 4.156 4.350 -0.000 0.000 0.190 63 E C 1.717 178.393 176.600 0.126 0.000 0.979 63 E CA 1.011 57.481 56.400 0.116 0.000 0.814 63 E CB -0.326 29.429 29.700 0.093 0.000 0.762 63 E HN 0.378 nan 8.360 nan 0.000 0.460 64 E N 0.657 120.915 120.200 0.097 0.000 2.085 64 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 64 E C 2.116 178.795 176.600 0.131 0.000 0.994 64 E CA 0.869 57.331 56.400 0.102 0.000 0.801 64 E CB -0.099 29.647 29.700 0.077 0.000 0.743 64 E HN 0.150 nan 8.360 nan 0.000 0.453 65 L N 0.767 122.070 121.223 0.133 0.000 2.079 65 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 65 L C 2.349 179.326 176.870 0.179 0.000 1.081 65 L CA 1.813 56.745 54.840 0.154 0.000 0.752 65 L CB -0.921 41.228 42.059 0.150 0.000 0.896 65 L HN 0.213 nan 8.230 nan 0.000 0.433 66 H N -1.243 117.870 119.070 0.073 0.000 2.387 66 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 66 H C 2.062 177.428 175.328 0.064 0.000 1.090 66 H CA 1.797 57.881 56.048 0.061 0.000 1.332 66 H CB -0.067 29.724 29.762 0.048 0.000 1.386 66 H HN 0.112 nan 8.280 nan 0.000 0.516 67 V N 0.953 120.867 119.914 0.001 0.000 2.358 67 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 67 V C 2.826 178.918 176.094 -0.002 0.000 1.047 67 V CA 1.614 63.881 62.300 -0.055 0.000 1.035 67 V CB -0.779 31.053 31.823 0.016 0.000 0.658 67 V HN 0.436 nan 8.190 nan 0.000 0.452 68 L N 0.494 121.769 121.223 0.087 0.000 1.970 68 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 68 L C 2.636 179.549 176.870 0.071 0.000 1.071 68 L CA 2.475 57.388 54.840 0.122 0.000 0.751 68 L CB -0.776 41.417 42.059 0.224 0.000 0.889 68 L HN 0.370 nan 8.230 nan 0.000 0.432 69 A N -0.238 122.627 122.820 0.075 0.000 1.917 69 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 69 A C 2.431 180.026 177.584 0.017 0.000 1.182 69 A CA 2.030 54.107 52.037 0.067 0.000 0.633 69 A CB -0.854 18.216 19.000 0.117 0.000 0.819 69 A HN 0.640 nan 8.150 nan 0.000 0.448 70 A N -0.446 122.339 122.820 -0.059 0.000 1.858 70 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 70 A C 1.977 179.534 177.584 -0.045 0.000 1.190 70 A CA 1.660 53.637 52.037 -0.100 0.000 0.617 70 A CB -0.471 18.384 19.000 -0.241 0.000 0.827 70 A HN 0.502 nan 8.150 nan 0.000 0.443 71 E N -0.052 120.128 120.200 -0.034 0.000 2.106 71 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 71 E C 2.079 178.678 176.600 -0.003 0.000 0.984 71 E CA 0.819 57.208 56.400 -0.018 0.000 0.806 71 E CB -0.374 29.316 29.700 -0.018 0.000 0.750 71 E HN 0.658 nan 8.360 nan 0.000 0.458 72 L N 0.735 121.964 121.223 0.011 0.000 2.093 72 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 72 L C 2.537 179.419 176.870 0.019 0.000 1.085 72 L CA 1.180 56.032 54.840 0.020 0.000 0.755 72 L CB -0.542 41.539 42.059 0.037 0.000 0.904 72 L HN 0.118 nan 8.230 nan 0.000 0.435 73 T N -0.483 114.082 114.554 0.019 0.000 2.708 73 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 73 T C 1.914 176.622 174.700 0.013 0.000 1.037 73 T CA 1.156 63.268 62.100 0.019 0.000 1.146 73 T CB -0.077 68.803 68.868 0.021 0.000 0.865 73 T HN 0.246 nan 8.240 nan 0.000 0.435 74 K N 0.548 120.951 120.400 0.005 0.000 2.113 74 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 74 K C 1.902 178.506 176.600 0.006 0.000 1.047 74 K CA 0.897 57.185 56.287 0.003 0.000 0.928 74 K CB -0.291 32.206 32.500 -0.005 0.000 0.716 74 K HN 0.206 nan 8.250 nan 0.000 0.446 75 L N -0.218 121.009 121.223 0.007 0.000 2.551 75 L HA -0.028 4.312 4.340 -0.000 0.000 0.228 75 L C 1.423 178.302 176.870 0.014 0.000 1.153 75 L CA 1.598 56.444 54.840 0.009 0.000 0.851 75 L CB -0.881 41.184 42.059 0.009 0.000 0.959 75 L HN 0.558 nan 8.230 nan 0.000 0.451 76 G N -1.245 107.564 108.800 0.015 0.000 2.159 76 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.227 76 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.227 76 G C 0.294 175.205 174.900 0.020 0.000 0.986 76 G CA 0.155 45.265 45.100 0.017 0.000 0.651 76 G HN 0.123 nan 8.290 nan 0.000 0.523 77 V N 1.150 121.077 119.914 0.022 0.000 2.732 77 V HA 0.542 4.662 4.120 -0.000 0.000 0.297 77 V C 1.002 177.114 176.094 0.031 0.000 1.060 77 V CA 0.220 62.535 62.300 0.025 0.000 1.038 77 V CB 1.572 33.412 31.823 0.028 0.000 1.003 77 V HN 0.236 nan 8.190 nan 0.000 0.481 78 T N 4.260 118.834 114.554 0.034 0.000 2.739 78 T HA 0.336 4.686 4.350 -0.000 0.000 0.298 78 T C -0.126 174.608 174.700 0.056 0.000 0.929 78 T CA -0.096 62.030 62.100 0.044 0.000 1.014 78 T CB 0.522 69.418 68.868 0.048 0.000 0.914 78 T HN 0.412 nan 8.240 nan 0.000 0.509 79 V N 6.621 126.569 119.914 0.058 0.000 2.432 79 V HA 0.474 4.594 4.120 -0.000 0.000 0.275 79 V C 0.285 176.422 176.094 0.071 0.000 1.043 79 V CA -0.797 61.543 62.300 0.068 0.000 0.925 79 V CB 0.787 32.651 31.823 0.069 0.000 0.985 79 V HN 0.657 nan 8.190 nan 0.000 0.466 80 R N 4.748 125.297 120.500 0.082 0.000 2.711 80 R HA 0.689 5.029 4.340 -0.000 0.000 0.284 80 R C -0.565 175.783 176.300 0.079 0.000 0.968 80 R CA -0.740 55.404 56.100 0.073 0.000 0.924 80 R CB 1.980 32.325 30.300 0.075 0.000 1.162 80 R HN 0.637 nan 8.270 nan 0.000 0.465 81 R N 1.417 121.952 120.500 0.058 0.000 2.854 81 R HA 0.524 4.864 4.340 -0.000 0.000 0.271 81 R C -2.231 174.080 176.300 0.017 0.000 0.996 81 R CA -1.948 54.187 56.100 0.058 0.000 0.961 81 R CB 0.974 31.305 30.300 0.052 0.000 1.182 81 R HN 0.328 nan 8.270 nan 0.000 0.479 82 P HA 0.030 nan 4.420 nan 0.000 0.270 82 P C -0.030 177.169 177.300 -0.168 0.000 1.227 82 P CA -0.132 62.842 63.100 -0.211 0.000 0.788 82 P CB 0.367 31.898 31.700 -0.280 0.000 0.926 83 G N 0.722 109.382 108.800 -0.233 0.000 2.547 83 G HA2 0.489 4.449 3.960 -0.000 0.000 0.291 83 G HA3 0.489 4.449 3.960 -0.000 0.000 0.291 83 G C -2.411 172.419 174.900 -0.116 0.000 1.211 83 G CA -1.071 43.949 45.100 -0.134 0.000 0.950 83 G HN 0.397 nan 8.290 nan 0.000 0.504 84 P HA 0.380 nan 4.420 nan 0.000 0.278 84 P C -0.741 176.498 177.300 -0.100 0.000 1.238 84 P CA -0.350 62.708 63.100 -0.071 0.000 0.794 84 P CB 1.510 33.179 31.700 -0.051 0.000 0.955 85 R N 1.044 121.450 120.500 -0.155 0.000 2.561 85 R HA 0.327 4.667 4.340 -0.000 0.000 0.266 85 R C -1.587 174.480 176.300 -0.389 0.000 1.091 85 R CA -0.646 55.315 56.100 -0.232 0.000 0.927 85 R CB 1.189 31.350 30.300 -0.230 0.000 1.240 85 R HN 0.291 nan 8.270 nan 0.000 0.449 86 D N 2.005 122.252 120.400 -0.256 0.000 2.277 86 D HA 0.141 4.781 4.640 -0.000 0.000 0.249 86 D C -0.137 176.012 176.300 -0.252 0.000 1.134 86 D CA -0.074 53.796 54.000 -0.216 0.000 0.863 86 D CB 0.972 41.723 40.800 -0.081 0.000 1.143 86 D HN 0.740 nan 8.370 nan 0.000 0.458 87 H N 0.782 119.890 119.070 0.063 0.000 2.539 87 H HA 0.094 4.650 4.556 -0.000 0.000 0.269 87 H C 1.598 176.967 175.328 0.070 0.000 0.980 87 H CA 0.635 56.734 56.048 0.085 0.000 1.152 87 H CB 0.558 30.387 29.762 0.111 0.000 1.407 87 H HN 0.352 nan 8.280 nan 0.000 0.564 88 S N -0.229 115.541 115.700 0.115 0.000 2.511 88 S HA 0.306 4.776 4.470 -0.000 0.000 0.214 88 S C 1.279 175.912 174.600 0.055 0.000 0.997 88 S CA -0.186 58.060 58.200 0.077 0.000 0.908 88 S CB 0.223 63.453 63.200 0.051 0.000 0.803 88 S HN 0.320 nan 8.310 nan 0.000 0.504 89 A N 2.813 125.660 122.820 0.045 0.000 2.520 89 A HA 0.448 4.768 4.320 -0.000 0.000 0.245 89 A C 0.423 178.041 177.584 0.058 0.000 1.072 89 A CA -0.278 51.781 52.037 0.036 0.000 0.761 89 A CB -0.146 18.866 19.000 0.020 0.000 1.004 89 A HN 0.592 nan 8.150 nan 0.000 0.499 90 L N 3.131 124.383 121.223 0.049 0.000 2.461 90 L HA 0.243 4.583 4.340 -0.000 0.000 0.272 90 L C 0.245 177.160 176.870 0.075 0.000 1.197 90 L CA 0.171 55.047 54.840 0.061 0.000 0.836 90 L CB 0.548 42.632 42.059 0.042 0.000 1.105 90 L HN 0.644 nan 8.230 nan 0.000 0.477 91 I N 1.227 121.863 120.570 0.109 0.000 2.465 91 I HA 0.524 4.694 4.170 -0.000 0.000 0.291 91 I C -0.640 175.537 176.117 0.099 0.000 1.014 91 I CA -0.774 60.599 61.300 0.121 0.000 1.093 91 I CB 2.005 40.126 38.000 0.202 0.000 1.267 91 I HN 0.563 nan 8.210 nan 0.000 0.431 92 K N 4.794 125.177 120.400 -0.028 0.000 2.581 92 K HA 0.420 4.740 4.320 -0.000 0.000 0.249 92 K C -0.908 175.493 176.600 -0.331 0.000 0.966 92 K CA -0.097 56.114 56.287 -0.126 0.000 0.811 92 K CB 2.625 35.086 32.500 -0.065 0.000 1.223 92 K HN 1.007 nan 8.250 nan 0.000 0.438 93 T N 0.312 114.480 114.554 -0.643 0.000 2.937 93 T HA 0.499 4.849 4.350 -0.000 0.000 0.283 93 T C -1.921 172.466 174.700 -0.521 0.000 1.012 93 T CA -1.689 59.974 62.100 -0.727 0.000 0.997 93 T CB 1.424 69.523 68.868 -1.282 0.000 1.136 93 T HN 0.258 nan 8.240 nan 0.000 0.551 94 P HA 0.005 nan 4.420 nan 0.000 0.217 94 P C 0.855 177.999 177.300 -0.260 0.000 1.150 94 P CA 1.009 63.955 63.100 -0.257 0.000 0.832 94 P CB 0.046 31.631 31.700 -0.191 0.000 0.787 95 D N -1.722 118.446 120.400 -0.386 0.000 2.213 95 D HA -0.008 4.632 4.640 -0.000 0.000 0.205 95 D C 0.994 177.214 176.300 -0.134 0.000 0.961 95 D CA 0.852 54.700 54.000 -0.254 0.000 0.853 95 D CB 0.107 40.785 40.800 -0.203 0.000 0.967 95 D HN 0.394 nan 8.370 nan 0.000 0.496 96 W N 0.089 121.345 121.300 -0.073 0.000 2.940 96 W HA 0.645 5.305 4.660 -0.000 0.000 0.394 96 W C -1.086 175.385 176.519 -0.080 0.000 1.155 96 W CA -0.727 56.581 57.345 -0.061 0.000 1.165 96 W CB 1.212 30.646 29.460 -0.044 0.000 1.492 96 W HN -0.348 nan 8.180 nan 0.000 0.593 97 E N 0.777 121.242 120.200 0.442 0.000 2.343 97 E HA 0.628 4.978 4.350 -0.000 0.000 0.278 97 E C -1.186 175.547 176.600 0.222 0.000 0.910 97 E CA -0.203 56.365 56.400 0.280 0.000 0.757 97 E CB 2.660 32.430 29.700 0.117 0.000 1.218 97 E HN 0.520 nan 8.360 nan 0.000 0.435 98 T N 0.416 115.077 114.554 0.179 0.000 2.658 98 T HA 0.327 4.677 4.350 -0.000 0.000 0.305 98 T C -1.428 173.330 174.700 0.097 0.000 1.551 98 T CA -1.088 61.068 62.100 0.094 0.000 0.985 98 T CB 0.788 69.676 68.868 0.033 0.000 1.731 98 T HN 0.491 nan 8.240 nan 0.000 0.486 99 D N -0.487 119.960 120.400 0.080 0.000 2.506 99 D HA 0.607 5.247 4.640 -0.000 0.000 0.254 99 D C 0.477 176.860 176.300 0.138 0.000 1.089 99 D CA -0.686 53.373 54.000 0.098 0.000 1.050 99 D CB 0.955 41.799 40.800 0.074 0.000 1.221 99 D HN 0.837 nan 8.370 nan 0.000 0.589 100 G N -1.434 107.476 108.800 0.185 0.000 2.537 100 G HA2 0.365 4.325 3.960 -0.000 0.000 0.297 100 G HA3 0.365 4.325 3.960 -0.000 0.000 0.297 100 G C -0.577 174.504 174.900 0.301 0.000 1.310 100 G CA -0.438 44.815 45.100 0.254 0.000 1.027 100 G HN 0.327 nan 8.290 nan 0.000 0.505 101 F N -0.489 119.491 119.950 0.050 0.000 2.446 101 F HA 0.377 4.904 4.527 -0.000 0.000 0.234 101 F C 0.925 176.632 175.800 -0.156 0.000 1.067 101 F CA 1.305 59.266 58.000 -0.065 0.000 0.986 101 F CB 0.074 38.943 39.000 -0.218 0.000 1.145 101 F HN 0.686 nan 8.300 nan 0.000 0.661 102 H N -2.958 116.099 119.070 -0.022 0.000 2.950 102 H HA 0.334 4.890 4.556 -0.000 0.000 0.307 102 H C -1.769 173.535 175.328 -0.040 0.000 1.403 102 H CA -1.169 54.620 56.048 -0.432 0.000 1.145 102 H CB 0.233 29.876 29.762 -0.198 0.000 1.844 102 H HN 0.046 nan 8.280 nan 0.000 0.515 103 D N 0.454 121.016 120.400 0.269 0.000 2.891 103 D HA 0.023 4.663 4.640 -0.000 0.000 0.312 103 D C -0.357 176.179 176.300 0.395 0.000 1.354 103 D CA 0.156 54.379 54.000 0.370 0.000 0.838 103 D CB 0.214 41.185 40.800 0.285 0.000 1.117 103 D HN 0.493 nan 8.370 nan 0.000 0.473 104 Y N -0.172 120.359 120.300 0.386 0.000 2.497 104 Y HA 0.164 4.714 4.550 -0.000 0.000 0.265 104 Y C 0.386 176.384 175.900 0.164 0.000 1.111 104 Y CA -0.030 58.143 58.100 0.121 0.000 1.288 104 Y CB 0.449 38.754 38.460 -0.259 0.000 1.082 104 Y HN -0.050 nan 8.280 nan 0.000 0.536 105 C N 3.312 122.714 119.300 0.170 0.000 2.816 105 C HA 0.338 4.798 4.460 -0.000 0.000 0.255 105 C C -1.450 173.579 174.990 0.065 0.000 1.141 105 C CA -1.298 57.719 59.018 -0.002 0.000 1.554 105 C CB 0.361 28.171 27.740 0.116 0.000 1.778 105 C HN 0.289 nan 8.230 nan 0.000 0.429 106 P HA -0.108 nan 4.420 nan 0.000 0.222 106 P C 1.710 178.939 177.300 -0.119 0.000 1.147 106 P CA 0.929 64.034 63.100 0.010 0.000 0.790 106 P CB 0.197 31.933 31.700 0.060 0.000 0.780 107 R N 0.450 120.870 120.500 -0.134 0.000 2.091 107 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 107 R C 1.615 177.812 176.300 -0.171 0.000 1.136 107 R CA 1.877 57.865 56.100 -0.186 0.000 0.959 107 R CB -1.014 29.145 30.300 -0.236 0.000 0.856 107 R HN 0.046 nan 8.270 nan 0.000 0.437 108 D N -1.457 118.858 120.400 -0.141 0.000 2.190 108 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 108 D C 1.059 177.261 176.300 -0.164 0.000 0.992 108 D CA 1.800 55.703 54.000 -0.162 0.000 0.854 108 D CB -0.091 40.690 40.800 -0.031 0.000 0.936 108 D HN 0.541 nan 8.370 nan 0.000 0.462 109 G N -1.271 107.436 108.800 -0.154 0.000 4.530 109 G HA2 0.344 4.304 3.960 -0.000 0.000 0.284 109 G HA3 0.344 4.304 3.960 -0.000 0.000 0.284 109 G C -0.624 174.172 174.900 -0.174 0.000 1.008 109 G CA -0.229 44.764 45.100 -0.178 0.000 0.770 109 G HN 0.004 nan 8.290 nan 0.000 0.424 110 L N 1.218 122.343 121.223 -0.163 0.000 2.404 110 L HA 0.647 4.987 4.340 -0.000 0.000 0.272 110 L C -1.039 175.775 176.870 -0.093 0.000 0.980 110 L CA -0.962 53.791 54.840 -0.145 0.000 0.836 110 L CB 2.015 43.923 42.059 -0.252 0.000 1.238 110 L HN 0.092 nan 8.230 nan 0.000 0.408 111 L N 3.749 124.954 121.223 -0.030 0.000 2.325 111 L HA 0.694 5.034 4.340 -0.000 0.000 0.281 111 L C -0.321 176.545 176.870 -0.007 0.000 1.004 111 L CA 0.007 54.847 54.840 0.000 0.000 0.823 111 L CB 1.775 43.887 42.059 0.088 0.000 1.236 111 L HN 0.666 nan 8.230 nan 0.000 0.415 112 S N 3.529 119.201 115.700 -0.047 0.000 2.423 112 S HA 0.419 4.889 4.470 -0.000 0.000 0.317 112 S C 0.459 175.005 174.600 -0.090 0.000 1.065 112 S CA -0.706 57.450 58.200 -0.073 0.000 1.111 112 S CB 1.286 64.420 63.200 -0.111 0.000 0.968 112 S HN 0.444 nan 8.310 nan 0.000 0.474 113 V N 2.431 122.290 119.914 -0.091 0.000 3.431 113 V HA 0.422 4.542 4.120 -0.000 0.000 0.253 113 V C 1.504 177.561 176.094 -0.063 0.000 1.184 113 V CA 0.996 63.218 62.300 -0.130 0.000 1.104 113 V CB -0.332 31.319 31.823 -0.286 0.000 0.799 113 V HN 0.920 nan 8.190 nan 0.000 0.462 114 G N -0.563 108.204 108.800 -0.055 0.000 3.125 114 G HA2 0.116 4.076 3.960 -0.000 0.000 0.136 114 G HA3 0.116 4.076 3.960 -0.000 0.000 0.136 114 G C 0.444 175.298 174.900 -0.077 0.000 1.411 114 G CA 0.226 45.313 45.100 -0.022 0.000 1.130 114 G HN 0.231 nan 8.290 nan 0.000 0.701 115 Q N 0.725 120.529 119.800 0.008 0.000 2.217 115 Q HA 0.386 4.726 4.340 -0.000 0.000 0.217 115 Q C -0.078 175.929 176.000 0.013 0.000 0.844 115 Q CA 0.244 56.043 55.803 -0.007 0.000 0.957 115 Q CB 1.480 30.236 28.738 0.029 0.000 1.127 115 Q HN 0.366 nan 8.270 nan 0.000 0.503 116 T N 0.304 114.871 114.554 0.022 0.000 2.902 116 T HA 0.539 4.889 4.350 -0.000 0.000 0.283 116 T C -0.279 174.444 174.700 0.039 0.000 1.009 116 T CA -0.395 61.740 62.100 0.058 0.000 1.051 116 T CB 1.161 70.067 68.868 0.064 0.000 0.999 116 T HN 0.029 nan 8.240 nan 0.000 0.474 117 I N 3.186 123.817 120.570 0.102 0.000 2.406 117 I HA 0.439 4.609 4.170 -0.000 0.000 0.290 117 I C -0.578 175.654 176.117 0.192 0.000 0.999 117 I CA -0.773 60.590 61.300 0.104 0.000 1.124 117 I CB 1.524 39.566 38.000 0.070 0.000 1.289 117 I HN 0.447 nan 8.210 nan 0.000 0.441 118 I N 6.023 126.679 120.570 0.143 0.000 2.355 118 I HA 0.249 4.419 4.170 -0.000 0.000 0.288 118 I C -0.014 176.161 176.117 0.096 0.000 0.999 118 I CA -0.669 60.735 61.300 0.173 0.000 1.163 118 I CB 1.372 39.517 38.000 0.240 0.000 1.316 118 I HN 0.486 nan 8.210 nan 0.000 0.454 119 E N 5.373 125.614 120.200 0.068 0.000 2.104 119 E HA 0.132 4.482 4.350 -0.000 0.000 0.278 119 E C 0.288 176.779 176.600 -0.182 0.000 1.127 119 E CA -0.283 56.090 56.400 -0.045 0.000 0.897 119 E CB 0.664 30.347 29.700 -0.028 0.000 1.043 119 E HN 0.626 nan 8.360 nan 0.000 0.410 120 T N 0.451 114.833 114.554 -0.286 0.000 2.813 120 T HA 0.235 4.585 4.350 -0.000 0.000 0.297 120 T C -2.210 172.120 174.700 -0.617 0.000 1.036 120 T CA -1.792 59.937 62.100 -0.619 0.000 1.044 120 T CB 1.009 69.362 68.868 -0.858 0.000 0.993 120 T HN 0.136 nan 8.240 nan 0.000 0.535 121 P HA 0.331 nan 4.420 nan 0.000 0.234 121 P C -0.271 176.806 177.300 -0.372 0.000 1.799 121 P CA -0.669 62.127 63.100 -0.507 0.000 1.118 121 P CB -0.171 31.230 31.700 -0.499 0.000 1.827 122 M N 2.191 121.611 119.600 -0.300 0.000 2.235 122 M HA 0.030 4.510 4.480 -0.000 0.000 0.336 122 M C 1.471 177.718 176.300 -0.088 0.000 1.146 122 M CA 0.348 55.533 55.300 -0.192 0.000 1.018 122 M CB 0.674 33.169 32.600 -0.176 0.000 1.694 122 M HN 0.363 nan 8.290 nan 0.000 0.451 123 A N 4.560 127.355 122.820 -0.041 0.000 2.066 123 A HA 0.104 4.424 4.320 -0.000 0.000 0.218 123 A C 0.561 178.178 177.584 0.056 0.000 1.157 123 A CA 0.692 52.761 52.037 0.053 0.000 0.670 123 A CB -0.188 18.863 19.000 0.085 0.000 0.804 123 A HN 0.622 nan 8.150 nan 0.000 0.453 124 L N 0.083 121.255 121.223 -0.085 0.000 2.275 124 L HA 0.354 4.694 4.340 -0.000 0.000 0.288 124 L C 1.264 178.013 176.870 -0.202 0.000 1.046 124 L CA -0.264 54.464 54.840 -0.186 0.000 0.805 124 L CB 1.175 43.047 42.059 -0.311 0.000 1.193 124 L HN 0.268 nan 8.230 nan 0.000 0.426 125 R N 0.783 121.068 120.500 -0.358 0.000 2.117 125 R HA -0.187 4.153 4.340 -0.000 0.000 0.243 125 R C 1.878 178.022 176.300 -0.260 0.000 1.143 125 R CA 1.624 57.360 56.100 -0.607 0.000 0.968 125 R CB -0.392 29.041 30.300 -1.446 0.000 0.863 125 R HN 0.823 nan 8.270 nan 0.000 0.444 126 S N 0.922 116.522 115.700 -0.166 0.000 2.440 126 S HA -0.118 4.352 4.470 -0.000 0.000 0.238 126 S C 1.375 175.998 174.600 0.037 0.000 1.010 126 S CA 1.051 59.245 58.200 -0.009 0.000 0.972 126 S CB -0.166 63.065 63.200 0.052 0.000 0.774 126 S HN 0.374 nan 8.310 nan 0.000 0.501 127 R N -0.335 120.134 120.500 -0.051 0.000 2.515 127 R HA 0.330 4.669 4.340 -0.000 0.000 0.294 127 R C 0.846 177.174 176.300 0.047 0.000 1.021 127 R CA -0.295 55.781 56.100 -0.039 0.000 1.081 127 R CB -0.353 29.822 30.300 -0.207 0.000 1.263 127 R HN 0.355 nan 8.270 nan 0.000 0.557 128 F N 1.260 121.220 119.950 0.017 0.000 2.161 128 F HA -0.121 4.406 4.527 -0.000 0.000 0.300 128 F C 0.957 176.805 175.800 0.081 0.000 1.089 128 F CA 1.515 59.574 58.000 0.099 0.000 1.282 128 F CB 0.317 39.500 39.000 0.305 0.000 1.010 128 F HN -0.038 nan 8.300 nan 0.000 0.485 129 L N 0.158 121.488 121.223 0.179 0.000 3.168 129 L HA 0.197 4.537 4.340 -0.000 0.000 0.277 129 L C 1.210 178.146 176.870 0.109 0.000 1.308 129 L CA -0.256 54.642 54.840 0.097 0.000 0.976 129 L CB 0.213 42.385 42.059 0.188 0.000 1.383 129 L HN -0.036 nan 8.230 nan 0.000 0.572 130 E N 1.521 121.766 120.200 0.075 0.000 2.086 130 E HA -0.286 4.064 4.350 -0.000 0.000 0.200 130 E C 2.148 178.891 176.600 0.237 0.000 1.012 130 E CA 2.208 58.683 56.400 0.125 0.000 0.812 130 E CB 0.108 29.824 29.700 0.028 0.000 0.743 130 E HN 0.462 nan 8.360 nan 0.000 0.453 131 S N -0.838 114.970 115.700 0.179 0.000 2.607 131 S HA -0.030 4.440 4.470 -0.000 0.000 0.224 131 S C 1.775 176.569 174.600 0.323 0.000 0.969 131 S CA 0.463 58.836 58.200 0.289 0.000 0.927 131 S CB -0.266 63.032 63.200 0.162 0.000 0.772 131 S HN 0.311 nan 8.310 nan 0.000 0.533 132 L N 2.019 123.369 121.223 0.212 0.000 2.083 132 L HA 0.162 4.502 4.340 -0.000 0.000 0.209 132 L C 2.620 179.544 176.870 0.089 0.000 1.083 132 L CA 1.815 56.739 54.840 0.140 0.000 0.752 132 L CB -1.137 40.984 42.059 0.103 0.000 0.899 132 L HN 0.410 nan 8.230 nan 0.000 0.433 133 A N -1.770 121.071 122.820 0.035 0.000 2.125 133 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 133 A C 1.278 178.670 177.584 -0.319 0.000 1.156 133 A CA 1.462 53.376 52.037 -0.205 0.000 0.671 133 A CB -0.802 17.977 19.000 -0.368 0.000 0.794 133 A HN 0.619 nan 8.150 nan 0.000 0.459 134 Y N -1.559 118.762 120.300 0.036 0.000 2.584 134 Y HA 0.296 4.846 4.550 -0.000 0.000 0.254 134 Y C 1.680 177.565 175.900 -0.024 0.000 1.177 134 Y CA -0.266 57.832 58.100 -0.005 0.000 1.216 134 Y CB 0.008 38.468 38.460 0.001 0.000 1.172 134 Y HN 0.144 nan 8.280 nan 0.000 0.529 135 K N 1.108 121.590 120.400 0.136 0.000 2.020 135 K HA -0.193 4.127 4.320 -0.000 0.000 0.212 135 K C 1.281 177.893 176.600 0.021 0.000 1.050 135 K CA 2.342 58.707 56.287 0.129 0.000 0.929 135 K CB -0.081 32.502 32.500 0.139 0.000 0.714 135 K HN 0.206 nan 8.250 nan 0.000 0.443 136 D N 0.146 120.537 120.400 -0.014 0.000 2.097 136 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 136 D C 1.958 178.159 176.300 -0.165 0.000 0.989 136 D CA 0.967 54.929 54.000 -0.063 0.000 0.827 136 D CB -0.293 40.477 40.800 -0.049 0.000 0.966 136 D HN 0.089 nan 8.370 nan 0.000 0.456 137 L N 0.204 121.299 121.223 -0.213 0.000 1.970 137 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 137 L C 2.326 178.807 176.870 -0.648 0.000 1.071 137 L CA 0.995 55.555 54.840 -0.467 0.000 0.751 137 L CB -0.508 41.308 42.059 -0.406 0.000 0.889 137 L HN 0.032 nan 8.230 nan 0.000 0.432 138 L N -1.292 119.651 121.223 -0.467 0.000 2.021 138 L HA -0.276 4.064 4.340 -0.000 0.000 0.215 138 L C 2.379 178.835 176.870 -0.690 0.000 1.074 138 L CA 1.574 56.017 54.840 -0.661 0.000 0.760 138 L CB -1.214 40.309 42.059 -0.892 0.000 0.889 138 L HN 0.187 nan 8.230 nan 0.000 0.433 139 L N -0.388 120.571 121.223 -0.439 0.000 2.042 139 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 139 L C 2.646 179.505 176.870 -0.019 0.000 1.076 139 L CA 1.881 56.654 54.840 -0.113 0.000 0.749 139 L CB -0.976 41.095 42.059 0.019 0.000 0.893 139 L HN 0.524 nan 8.230 nan 0.000 0.432 140 E N -1.645 118.480 120.200 -0.125 0.000 2.028 140 E HA -0.255 4.095 4.350 -0.000 0.000 0.191 140 E C 2.272 178.896 176.600 0.040 0.000 0.988 140 E CA 1.108 57.464 56.400 -0.074 0.000 0.799 140 E CB -0.274 29.329 29.700 -0.162 0.000 0.755 140 E HN 0.375 nan 8.360 nan 0.000 0.447 141 Y N 0.111 120.353 120.300 -0.097 0.000 2.081 141 Y HA -0.232 4.318 4.550 -0.000 0.000 0.280 141 Y C 2.244 178.124 175.900 -0.033 0.000 1.163 141 Y CA 1.203 59.248 58.100 -0.092 0.000 1.135 141 Y CB -1.394 36.969 38.460 -0.163 0.000 0.970 141 Y HN 0.227 nan 8.280 nan 0.000 0.498 142 F N 0.718 120.649 119.950 -0.032 0.000 2.043 142 F HA -0.128 4.399 4.527 -0.000 0.000 0.297 142 F C 1.717 177.559 175.800 0.070 0.000 1.121 142 F CA 1.069 59.090 58.000 0.035 0.000 1.199 142 F CB -0.916 38.151 39.000 0.111 0.000 0.968 142 F HN -0.084 nan 8.300 nan 0.000 0.478 143 A N -0.192 122.541 122.820 -0.146 0.000 3.030 143 A HA 0.423 4.743 4.320 -0.000 0.000 0.273 143 A C 0.984 178.497 177.584 -0.118 0.000 1.841 143 A CA 0.857 52.755 52.037 -0.233 0.000 1.479 143 A CB -1.269 17.682 19.000 -0.082 0.000 1.048 143 A HN 0.739 nan 8.150 nan 0.000 0.612 144 S N -0.374 115.254 115.700 -0.120 0.000 2.848 144 S HA 0.274 4.744 4.470 -0.000 0.000 0.163 144 S C 1.037 175.608 174.600 -0.047 0.000 0.810 144 S CA 1.079 59.252 58.200 -0.046 0.000 1.607 144 S CB -0.978 62.231 63.200 0.015 0.000 1.189 144 S HN 2.331 nan 8.310 nan 0.000 0.610 145 G N 1.017 109.768 108.800 -0.082 0.000 2.159 145 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.227 145 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.227 145 G C -0.002 174.916 174.900 0.030 0.000 0.986 145 G CA 0.067 45.141 45.100 -0.042 0.000 0.651 145 G HN 1.144 nan 8.290 nan 0.000 0.523 146 S N 0.329 116.067 115.700 0.062 0.000 2.531 146 S HA 0.436 4.906 4.470 -0.000 0.000 0.279 146 S C 0.710 175.450 174.600 0.234 0.000 1.305 146 S CA -0.361 57.898 58.200 0.098 0.000 1.058 146 S CB 1.410 64.637 63.200 0.046 0.000 0.899 146 S HN 0.610 nan 8.310 nan 0.000 0.493 147 R N 1.618 122.236 120.500 0.197 0.000 2.491 147 R HA 0.134 4.473 4.340 -0.000 0.000 0.283 147 R C -1.294 175.207 176.300 0.335 0.000 1.072 147 R CA -0.223 56.035 56.100 0.264 0.000 1.048 147 R CB 0.398 30.799 30.300 0.169 0.000 0.983 147 R HN 0.665 nan 8.270 nan 0.000 0.450 148 W N 7.491 128.855 121.300 0.107 0.000 2.453 148 W HA 0.324 4.984 4.660 -0.000 0.000 0.310 148 W C -2.068 174.440 176.519 -0.019 0.000 1.000 148 W CA -1.043 56.318 57.345 0.028 0.000 1.367 148 W CB 0.426 29.861 29.460 -0.041 0.000 1.269 148 W HN 0.386 nan 8.180 nan 0.000 0.418 149 L N 3.629 124.968 121.223 0.193 0.000 2.313 149 L HA 0.703 5.043 4.340 -0.000 0.000 0.268 149 L C 0.135 177.024 176.870 0.032 0.000 1.010 149 L CA -0.820 54.046 54.840 0.043 0.000 0.814 149 L CB 1.834 43.970 42.059 0.127 0.000 1.304 149 L HN 0.300 nan 8.230 nan 0.000 0.441 150 S N 0.150 115.850 115.700 0.001 0.000 2.569 150 S HA 0.912 5.382 4.470 -0.000 0.000 0.280 150 S C -0.890 173.736 174.600 0.043 0.000 1.111 150 S CA -0.300 57.884 58.200 -0.027 0.000 0.887 150 S CB 1.565 64.674 63.200 -0.152 0.000 1.095 150 S HN 0.860 nan 8.310 nan 0.000 0.476 151 A N 3.435 126.142 122.820 -0.190 0.000 2.286 151 A HA 0.766 5.086 4.320 -0.000 0.000 0.286 151 A C -2.617 174.768 177.584 -0.332 0.000 1.097 151 A CA -1.628 50.091 52.037 -0.529 0.000 0.821 151 A CB -0.582 17.630 19.000 -1.314 0.000 1.076 151 A HN 0.669 nan 8.150 nan 0.000 0.490 152 P HA 0.022 nan 4.420 nan 0.000 0.264 152 P C -0.623 176.560 177.300 -0.195 0.000 1.183 152 P CA 0.170 63.180 63.100 -0.151 0.000 0.763 152 P CB 0.288 31.939 31.700 -0.082 0.000 0.807 153 K N 4.908 125.222 120.400 -0.143 0.000 2.383 153 K HA 0.174 4.494 4.320 -0.000 0.000 0.286 153 K C -1.795 174.823 176.600 0.031 0.000 1.051 153 K CA -1.183 55.013 56.287 -0.153 0.000 0.974 153 K CB -0.203 32.203 32.500 -0.156 0.000 0.968 153 K HN 0.428 nan 8.250 nan 0.000 0.475 154 P HA 0.085 nan 4.420 nan 0.000 0.270 154 P C 0.537 177.994 177.300 0.262 0.000 1.223 154 P CA -0.194 62.987 63.100 0.134 0.000 0.785 154 P CB 0.953 32.718 31.700 0.109 0.000 0.923 155 R N 0.822 121.427 120.500 0.175 0.000 2.057 155 R HA -0.019 4.321 4.340 -0.000 0.000 0.229 155 R C 0.455 176.962 176.300 0.345 0.000 1.136 155 R CA 0.460 56.668 56.100 0.180 0.000 0.952 155 R CB -0.485 29.872 30.300 0.096 0.000 0.848 155 R HN 0.318 nan 8.270 nan 0.000 0.430 156 L N 1.926 123.312 121.223 0.272 0.000 3.548 156 L HA -0.187 4.153 4.340 -0.000 0.000 0.443 156 L C -0.094 177.000 176.870 0.374 0.000 1.286 156 L CA 1.263 56.284 54.840 0.302 0.000 0.863 156 L CB -2.125 40.186 42.059 0.419 0.000 1.734 156 L HN 0.551 nan 8.230 nan 0.000 0.873 157 T N -5.541 109.159 114.554 0.243 0.000 2.788 157 T HA 0.293 4.643 4.350 -0.000 0.000 0.287 157 T C 1.210 176.022 174.700 0.187 0.000 1.007 157 T CA -0.013 62.225 62.100 0.230 0.000 1.005 157 T CB 0.846 69.796 68.868 0.136 0.000 1.012 157 T HN 0.199 nan 8.240 nan 0.000 0.530 158 D N 0.934 121.450 120.400 0.194 0.000 2.172 158 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 158 D C 1.798 178.184 176.300 0.143 0.000 0.999 158 D CA 1.679 55.802 54.000 0.205 0.000 0.856 158 D CB -0.373 40.515 40.800 0.148 0.000 0.934 158 D HN 0.867 nan 8.370 nan 0.000 0.453 159 D N -0.605 119.833 120.400 0.063 0.000 2.351 159 D HA -0.071 4.569 4.640 -0.000 0.000 0.216 159 D C 1.347 177.600 176.300 -0.078 0.000 0.968 159 D CA 0.562 54.568 54.000 0.010 0.000 0.899 159 D CB -0.391 40.422 40.800 0.023 0.000 0.907 159 D HN -0.027 nan 8.370 nan 0.000 0.514 160 S N -1.413 114.143 115.700 -0.239 0.000 2.593 160 S HA 0.110 4.580 4.470 -0.000 0.000 0.217 160 S C -0.571 173.597 174.600 -0.720 0.000 0.966 160 S CA -0.371 57.531 58.200 -0.497 0.000 0.914 160 S CB -0.076 62.731 63.200 -0.654 0.000 0.776 160 S HN 0.216 nan 8.310 nan 0.000 0.523 161 Y N -0.063 120.253 120.300 0.027 0.000 2.562 161 Y HA 0.701 5.251 4.550 -0.000 0.000 0.343 161 Y C 0.041 175.956 175.900 0.026 0.000 1.025 161 Y CA -1.766 56.347 58.100 0.021 0.000 1.082 161 Y CB 1.598 40.072 38.460 0.024 0.000 1.264 161 Y HN -0.103 nan 8.280 nan 0.000 0.478 162 A N 2.603 125.530 122.820 0.179 0.000 3.422 162 A HA 0.466 4.786 4.320 -0.000 0.000 0.271 162 A C -2.490 175.134 177.584 0.066 0.000 1.104 162 A CA -1.205 50.893 52.037 0.102 0.000 0.899 162 A CB 0.239 19.277 19.000 0.063 0.000 1.309 162 A HN 0.506 nan 8.150 nan 0.000 0.580 163 P HA -0.276 nan 4.420 nan 0.000 0.217 163 P C 1.310 178.585 177.300 -0.042 0.000 1.162 163 P CA 1.917 64.997 63.100 -0.032 0.000 0.901 163 P CB 0.220 31.996 31.700 0.128 0.000 0.793 164 Q N -0.677 119.144 119.800 0.036 0.000 2.291 164 Q HA 0.057 4.397 4.340 -0.000 0.000 0.205 164 Q C 1.130 177.143 176.000 0.021 0.000 0.970 164 Q CA 0.855 56.681 55.803 0.039 0.000 0.876 164 Q CB -1.102 27.674 28.738 0.063 0.000 0.935 164 Q HN 0.208 nan 8.270 nan 0.000 0.455 165 A N 1.887 124.718 122.820 0.018 0.000 2.409 165 A HA 0.320 4.640 4.320 -0.000 0.000 0.246 165 A C -2.102 175.486 177.584 0.007 0.000 1.099 165 A CA -1.123 50.924 52.037 0.017 0.000 0.789 165 A CB -0.517 18.495 19.000 0.022 0.000 1.053 165 A HN 0.038 nan 8.150 nan 0.000 0.503 166 P HA 0.356 nan 4.420 nan 0.000 0.272 166 P C -0.373 176.934 177.300 0.012 0.000 1.230 166 P CA 0.085 63.194 63.100 0.015 0.000 0.788 166 P CB 0.421 32.136 31.700 0.025 0.000 0.949 167 A N 1.408 124.235 122.820 0.012 0.000 2.498 167 A HA 0.431 4.751 4.320 -0.000 0.000 0.239 167 A C 1.387 178.985 177.584 0.025 0.000 1.068 167 A CA 0.693 52.736 52.037 0.010 0.000 0.766 167 A CB -1.463 17.545 19.000 0.013 0.000 1.003 167 A HN 0.899 nan 8.150 nan 0.000 0.497 168 G N 0.877 109.686 108.800 0.015 0.000 2.136 168 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.242 168 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.242 168 G C 0.100 175.012 174.900 0.021 0.000 0.989 168 G CA 0.721 45.832 45.100 0.018 0.000 0.682 168 G HN 0.932 nan 8.290 nan 0.000 0.522 169 E N -1.200 119.013 120.200 0.021 0.000 2.948 169 E HA 0.157 4.507 4.350 -0.000 0.000 0.186 169 E C 1.711 178.327 176.600 0.027 0.000 0.951 169 E CA -0.315 56.100 56.400 0.024 0.000 1.308 169 E CB 0.287 30.001 29.700 0.023 0.000 1.037 169 E HN 0.471 nan 8.360 nan 0.000 0.469 170 R N 0.247 120.765 120.500 0.030 0.000 2.362 170 R HA 0.225 4.565 4.340 -0.000 0.000 0.227 170 R C 0.166 176.519 176.300 0.089 0.000 0.905 170 R CA -0.122 56.006 56.100 0.046 0.000 1.067 170 R CB 0.539 30.849 30.300 0.017 0.000 1.078 170 R HN -0.059 nan 8.270 nan 0.000 0.516 171 L N 2.049 123.310 121.223 0.063 0.000 2.318 171 L HA 0.236 4.576 4.340 -0.000 0.000 0.277 171 L C 0.304 177.168 176.870 -0.009 0.000 1.008 171 L CA -0.330 54.536 54.840 0.043 0.000 0.846 171 L CB 1.490 43.589 42.059 0.065 0.000 1.220 171 L HN 0.088 nan 8.230 nan 0.000 0.423 172 T N 0.174 114.691 114.554 -0.062 0.000 2.698 172 T HA 0.181 4.531 4.350 -0.000 0.000 0.295 172 T C 0.199 174.876 174.700 -0.038 0.000 1.007 172 T CA -0.250 61.825 62.100 -0.043 0.000 0.980 172 T CB 0.624 69.462 68.868 -0.050 0.000 1.036 172 T HN 0.646 nan 8.240 nan 0.000 0.526 173 D N -0.432 119.957 120.400 -0.018 0.000 2.683 173 D HA 0.239 4.879 4.640 -0.000 0.000 0.309 173 D C 0.833 177.129 176.300 -0.006 0.000 1.238 173 D CA -0.428 53.571 54.000 -0.001 0.000 0.936 173 D CB 0.161 40.969 40.800 0.013 0.000 1.001 173 D HN 0.520 nan 8.370 nan 0.000 0.505 174 E N 1.067 121.253 120.200 -0.023 0.000 2.307 174 E HA 0.092 4.442 4.350 -0.000 0.000 0.195 174 E C 0.143 176.743 176.600 -0.000 0.000 0.975 174 E CA 0.564 56.956 56.400 -0.015 0.000 0.878 174 E CB 0.671 30.352 29.700 -0.031 0.000 0.845 174 E HN 0.673 nan 8.360 nan 0.000 0.488 175 E N 0.254 120.454 120.200 -0.000 0.000 2.430 175 E HA 0.384 4.734 4.350 -0.000 0.000 0.279 175 E C -2.987 173.628 176.600 0.025 0.000 1.003 175 E CA -2.617 53.791 56.400 0.013 0.000 0.801 175 E CB 1.332 31.034 29.700 0.004 0.000 1.313 175 E HN -0.293 nan 8.360 nan 0.000 0.459 176 P HA 0.014 nan 4.420 nan 0.000 0.259 176 P C -0.670 176.653 177.300 0.038 0.000 1.211 176 P CA 0.008 63.148 63.100 0.068 0.000 0.810 176 P CB 0.330 32.032 31.700 0.005 0.000 0.815 177 V N 4.676 124.669 119.914 0.132 0.000 2.709 177 V HA 0.931 5.051 4.120 -0.000 0.000 0.308 177 V C -1.418 174.841 176.094 0.275 0.000 1.062 177 V CA -1.148 61.197 62.300 0.074 0.000 0.901 177 V CB 1.666 33.501 31.823 0.020 0.000 1.003 177 V HN 0.420 nan 8.190 nan 0.000 0.425 178 F N 1.755 121.702 119.950 -0.005 0.000 2.686 178 F HA 0.656 5.183 4.527 -0.000 0.000 0.315 178 F C -1.493 174.276 175.800 -0.051 0.000 1.088 178 F CA -0.913 57.090 58.000 0.003 0.000 1.034 178 F CB 0.394 39.458 39.000 0.107 0.000 1.280 178 F HN 0.500 nan 8.300 nan 0.000 0.463 179 D N 2.539 122.932 120.400 -0.011 0.000 2.304 179 D HA 0.497 5.137 4.640 -0.000 0.000 0.247 179 D C 1.063 177.335 176.300 -0.046 0.000 1.089 179 D CA 0.367 54.298 54.000 -0.116 0.000 0.910 179 D CB 1.957 42.734 40.800 -0.037 0.000 1.199 179 D HN 0.852 nan 8.370 nan 0.000 0.426 180 A N 2.135 124.892 122.820 -0.106 0.000 1.978 180 A HA -0.157 4.162 4.320 -0.000 0.000 0.220 180 A C 1.900 179.442 177.584 -0.071 0.000 1.170 180 A CA 1.945 53.984 52.037 0.003 0.000 0.636 180 A CB -0.621 18.343 19.000 -0.060 0.000 0.810 180 A HN 0.595 nan 8.150 nan 0.000 0.448 181 A N -0.568 122.095 122.820 -0.262 0.000 2.259 181 A HA -0.070 4.250 4.320 -0.000 0.000 0.212 181 A C 1.406 178.811 177.584 -0.298 0.000 1.178 181 A CA 1.428 53.232 52.037 -0.388 0.000 0.734 181 A CB -0.634 17.817 19.000 -0.915 0.000 0.774 181 A HN 0.578 nan 8.150 nan 0.000 0.481 182 N N -1.235 117.350 118.700 -0.191 0.000 2.280 182 N HA 0.174 4.914 4.740 -0.000 0.000 0.192 182 N C -0.409 174.990 175.510 -0.185 0.000 1.109 182 N CA 0.305 53.250 53.050 -0.174 0.000 0.855 182 N CB 0.709 39.026 38.487 -0.283 0.000 0.974 182 N HN 0.202 nan 8.380 nan 0.000 0.482 183 V N 1.094 120.968 119.914 -0.068 0.000 2.581 183 V HA 0.466 4.586 4.120 -0.000 0.000 0.303 183 V C -0.688 175.451 176.094 0.075 0.000 1.041 183 V CA -0.856 61.465 62.300 0.035 0.000 0.907 183 V CB 2.165 34.046 31.823 0.098 0.000 0.994 183 V HN -0.079 nan 8.190 nan 0.000 0.442 184 L N 4.827 126.129 121.223 0.132 0.000 2.381 184 L HA 0.690 5.030 4.340 -0.000 0.000 0.268 184 L C -0.239 176.699 176.870 0.113 0.000 0.997 184 L CA -0.421 54.474 54.840 0.092 0.000 0.818 184 L CB 2.175 44.307 42.059 0.122 0.000 1.310 184 L HN 0.690 nan 8.230 nan 0.000 0.416 185 R N 3.263 123.728 120.500 -0.058 0.000 2.388 185 R HA 0.501 4.841 4.340 -0.000 0.000 0.314 185 R C -1.492 174.795 176.300 -0.022 0.000 0.959 185 R CA -0.415 55.708 56.100 0.039 0.000 0.851 185 R CB 0.644 30.959 30.300 0.025 0.000 1.168 185 R HN 0.313 nan 8.270 nan 0.000 0.472 186 F N 2.429 122.584 119.950 0.342 0.000 2.550 186 F HA 0.357 4.884 4.527 -0.000 0.000 0.312 186 F C 1.409 177.556 175.800 0.579 0.000 1.256 186 F CA -0.116 58.237 58.000 0.588 0.000 1.182 186 F CB 0.793 40.220 39.000 0.712 0.000 1.383 186 F HN 1.046 nan 8.300 nan 0.000 0.541 187 G N 0.840 109.967 108.800 0.544 0.000 2.561 187 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.289 187 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.289 187 G C 1.240 176.357 174.900 0.361 0.000 1.169 187 G CA 0.570 45.923 45.100 0.423 0.000 0.980 187 G HN 0.305 nan 8.290 nan 0.000 0.550 188 T N 1.685 116.330 114.554 0.152 0.000 2.685 188 T HA -0.031 4.319 4.350 -0.000 0.000 0.268 188 T C 0.925 175.739 174.700 0.190 0.000 1.034 188 T CA 1.930 64.050 62.100 0.034 0.000 1.149 188 T CB -0.372 68.439 68.868 -0.095 0.000 0.860 188 T HN 0.572 nan 8.240 nan 0.000 0.449 189 D N 1.320 121.808 120.400 0.147 0.000 2.308 189 D HA 0.336 4.976 4.640 -0.000 0.000 0.251 189 D C -0.433 175.980 176.300 0.188 0.000 1.127 189 D CA 0.078 54.077 54.000 -0.002 0.000 0.876 189 D CB 1.143 41.559 40.800 -0.640 0.000 1.176 189 D HN 0.246 nan 8.370 nan 0.000 0.446 190 L N 3.130 124.465 121.223 0.188 0.000 2.349 190 L HA 0.294 4.634 4.340 -0.000 0.000 0.278 190 L C -0.443 176.614 176.870 0.312 0.000 0.996 190 L CA -1.070 53.919 54.840 0.249 0.000 0.825 190 L CB 1.820 43.957 42.059 0.129 0.000 1.243 190 L HN 0.129 nan 8.230 nan 0.000 0.412 191 L N 4.377 125.866 121.223 0.442 0.000 2.292 191 L HA 0.422 4.762 4.340 -0.000 0.000 0.284 191 L C -1.217 175.859 176.870 0.344 0.000 1.065 191 L CA 0.049 55.164 54.840 0.458 0.000 0.806 191 L CB 0.935 43.342 42.059 0.579 0.000 1.175 191 L HN 0.432 nan 8.230 nan 0.000 0.431 192 Y N 5.854 126.234 120.300 0.134 0.000 2.363 192 Y HA 0.480 5.030 4.550 -0.000 0.000 0.325 192 Y C -1.306 174.619 175.900 0.041 0.000 0.984 192 Y CA -1.392 56.734 58.100 0.044 0.000 1.248 192 Y CB 1.364 39.793 38.460 -0.052 0.000 1.116 192 Y HN 0.727 nan 8.280 nan 0.000 0.470 193 L N 8.421 129.639 121.223 -0.007 0.000 2.385 193 L HA 0.396 4.736 4.340 -0.000 0.000 0.281 193 L C -0.593 176.264 176.870 -0.021 0.000 1.106 193 L CA -0.194 54.649 54.840 0.005 0.000 0.856 193 L CB 0.446 42.490 42.059 -0.025 0.000 1.186 193 L HN 0.559 nan 8.230 nan 0.000 0.453 194 V N 5.969 125.969 119.914 0.144 0.000 2.427 194 V HA 0.696 4.816 4.120 -0.000 0.000 0.268 194 V C 0.170 176.302 176.094 0.063 0.000 1.046 194 V CA 0.968 63.371 62.300 0.172 0.000 0.970 194 V CB 0.219 32.173 31.823 0.218 0.000 1.001 194 V HN 1.114 nan 8.190 nan 0.000 0.476 195 S N 3.404 119.132 115.700 0.047 0.000 3.341 195 S HA 0.439 4.909 4.470 -0.000 0.000 0.326 195 S C 0.403 175.026 174.600 0.039 0.000 1.178 195 S CA -0.002 58.215 58.200 0.028 0.000 1.002 195 S CB 1.110 64.316 63.200 0.009 0.000 1.385 195 S HN 0.535 nan 8.310 nan 0.000 0.710 196 D N 1.730 122.146 120.400 0.026 0.000 2.350 196 D HA 0.097 4.737 4.640 -0.000 0.000 0.216 196 D C 0.955 177.284 176.300 0.049 0.000 0.968 196 D CA 1.419 55.438 54.000 0.032 0.000 0.894 196 D CB -0.069 40.734 40.800 0.005 0.000 0.909 196 D HN 0.548 nan 8.370 nan 0.000 0.520 197 S N -0.859 114.873 115.700 0.053 0.000 2.668 197 S HA 0.563 5.033 4.470 -0.000 0.000 0.244 197 S C 0.357 175.017 174.600 0.100 0.000 1.140 197 S CA -0.420 57.827 58.200 0.079 0.000 1.134 197 S CB 0.834 64.088 63.200 0.090 0.000 0.954 197 S HN 0.104 nan 8.310 nan 0.000 0.490 198 G N 2.065 110.930 108.800 0.109 0.000 1.843 198 G HA2 0.206 4.166 3.960 -0.000 0.000 0.278 198 G HA3 0.206 4.166 3.960 -0.000 0.000 0.278 198 G C -1.046 173.992 174.900 0.231 0.000 1.708 198 G CA -1.006 44.202 45.100 0.180 0.000 0.918 198 G HN 0.381 nan 8.290 nan 0.000 0.661 199 N N 1.583 120.438 118.700 0.258 0.000 2.448 199 N HA 0.301 5.041 4.740 -0.000 0.000 0.274 199 N C 0.413 176.042 175.510 0.198 0.000 1.239 199 N CA -0.720 52.445 53.050 0.192 0.000 0.982 199 N CB 1.678 40.228 38.487 0.105 0.000 1.199 199 N HN 0.309 nan 8.380 nan 0.000 0.576 200 E N 0.375 120.626 120.200 0.086 0.000 2.085 200 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 200 E C 1.973 178.546 176.600 -0.044 0.000 0.994 200 E CA 0.887 57.283 56.400 -0.007 0.000 0.801 200 E CB -0.349 29.349 29.700 -0.003 0.000 0.743 200 E HN 0.527 nan 8.360 nan 0.000 0.453 201 L N 0.383 121.620 121.223 0.024 0.000 2.083 201 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 201 L C 2.476 179.405 176.870 0.097 0.000 1.083 201 L CA 1.174 56.044 54.840 0.050 0.000 0.752 201 L CB -0.619 41.480 42.059 0.066 0.000 0.899 201 L HN 0.198 nan 8.230 nan 0.000 0.433 202 G N -0.664 108.220 108.800 0.139 0.000 2.446 202 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 202 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 202 G C 1.693 176.487 174.900 -0.177 0.000 1.168 202 G CA 0.793 46.047 45.100 0.256 0.000 0.771 202 G HN 0.490 nan 8.290 nan 0.000 0.551 203 A N 0.362 122.791 122.820 -0.652 0.000 1.968 203 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 203 A C 2.174 179.518 177.584 -0.401 0.000 1.169 203 A CA 1.954 53.389 52.037 -1.004 0.000 0.638 203 A CB -0.368 17.771 19.000 -1.435 0.000 0.812 203 A HN 0.390 nan 8.150 nan 0.000 0.446 204 K N -1.291 118.984 120.400 -0.209 0.000 2.001 204 K HA -0.262 4.058 4.320 -0.000 0.000 0.214 204 K C 1.883 178.463 176.600 -0.033 0.000 1.050 204 K CA 2.066 58.296 56.287 -0.095 0.000 0.934 204 K CB -0.407 32.076 32.500 -0.027 0.000 0.718 204 K HN 0.625 nan 8.250 nan 0.000 0.443 205 W N 1.466 122.708 121.300 -0.097 0.000 2.338 205 W HA -0.267 4.393 4.660 -0.000 0.000 0.304 205 W C 1.897 178.391 176.519 -0.041 0.000 1.212 205 W CA 1.418 58.749 57.345 -0.023 0.000 1.264 205 W CB -0.427 29.079 29.460 0.077 0.000 1.142 205 W HN 0.242 nan 8.180 nan 0.000 0.512 206 L N 1.186 122.536 121.223 0.210 0.000 2.013 206 L HA -0.301 4.039 4.340 -0.000 0.000 0.212 206 L C 2.531 179.269 176.870 -0.220 0.000 1.073 206 L CA 2.155 57.013 54.840 0.030 0.000 0.753 206 L CB -1.405 40.550 42.059 -0.174 0.000 0.890 206 L HN 0.082 nan 8.230 nan 0.000 0.432 207 Q N -0.608 119.058 119.800 -0.225 0.000 2.077 207 Q HA -0.247 4.093 4.340 -0.000 0.000 0.206 207 Q C 2.524 178.381 176.000 -0.238 0.000 0.989 207 Q CA 2.147 57.825 55.803 -0.208 0.000 0.853 207 Q CB -0.652 27.975 28.738 -0.186 0.000 0.907 207 Q HN 0.722 nan 8.270 nan 0.000 0.418 208 S N -0.053 115.457 115.700 -0.317 0.000 2.382 208 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 208 S C 1.968 176.329 174.600 -0.397 0.000 1.027 208 S CA 1.271 59.272 58.200 -0.331 0.000 0.991 208 S CB -0.086 62.896 63.200 -0.364 0.000 0.823 208 S HN 0.390 nan 8.310 nan 0.000 0.469 209 A N 0.876 123.321 122.820 -0.624 0.000 1.968 209 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 209 A C 2.326 179.751 177.584 -0.266 0.000 1.169 209 A CA 1.569 53.270 52.037 -0.560 0.000 0.638 209 A CB -0.732 17.712 19.000 -0.927 0.000 0.812 209 A HN 1.119 nan 8.150 nan 0.000 0.446 210 V N -4.043 115.742 119.914 -0.214 0.000 3.471 210 V HA 0.536 4.656 4.120 -0.000 0.000 0.258 210 V C 1.164 177.279 176.094 0.036 0.000 1.192 210 V CA 0.411 62.647 62.300 -0.107 0.000 1.116 210 V CB -1.235 30.437 31.823 -0.252 0.000 0.792 210 V HN 1.666 nan 8.190 nan 0.000 0.459 211 G N 1.908 110.694 108.800 -0.024 0.000 2.795 211 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.664 211 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.664 211 G C 0.414 175.337 174.900 0.038 0.000 1.381 211 G CA 0.270 45.372 45.100 0.004 0.000 0.853 211 G HN 0.733 nan 8.290 nan 0.000 0.545 212 D N -0.614 119.780 120.400 -0.009 0.000 2.203 212 D HA -0.205 4.435 4.640 -0.000 0.000 0.199 212 D C 1.975 178.244 176.300 -0.052 0.000 0.997 212 D CA 2.540 56.521 54.000 -0.032 0.000 0.863 212 D CB -0.607 40.168 40.800 -0.043 0.000 0.928 212 D HN 0.547 nan 8.370 nan 0.000 0.458 213 T N -0.411 114.096 114.554 -0.077 0.000 2.684 213 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 213 T C 0.612 175.130 174.700 -0.303 0.000 1.036 213 T CA 1.179 63.135 62.100 -0.239 0.000 1.148 213 T CB -0.495 68.126 68.868 -0.411 0.000 0.863 213 T HN 0.245 nan 8.240 nan 0.000 0.436 214 Y N 0.981 121.249 120.300 -0.053 0.000 2.354 214 Y HA 0.494 5.044 4.550 -0.000 0.000 0.322 214 Y C 0.779 176.615 175.900 -0.107 0.000 1.253 214 Y CA -1.045 57.021 58.100 -0.058 0.000 1.272 214 Y CB 0.884 39.322 38.460 -0.038 0.000 1.255 214 Y HN -0.121 nan 8.280 nan 0.000 0.500 215 T N 0.934 115.505 114.554 0.029 0.000 2.847 215 T HA 0.548 4.898 4.350 -0.000 0.000 0.291 215 T C -1.275 173.221 174.700 -0.339 0.000 0.998 215 T CA -0.703 61.285 62.100 -0.187 0.000 0.967 215 T CB 0.149 68.876 68.868 -0.235 0.000 0.954 215 T HN 0.418 nan 8.240 nan 0.000 0.441 216 V N 6.757 126.480 119.914 -0.319 0.000 2.488 216 V HA 0.341 4.461 4.120 -0.000 0.000 0.277 216 V C 0.220 176.070 176.094 -0.407 0.000 1.046 216 V CA -0.532 61.612 62.300 -0.260 0.000 0.986 216 V CB 0.554 32.250 31.823 -0.211 0.000 0.989 216 V HN 0.849 nan 8.190 nan 0.000 0.475 217 H N 5.974 125.041 119.070 -0.005 0.000 2.691 217 H HA 0.304 4.860 4.556 -0.000 0.000 0.281 217 H C -2.461 172.925 175.328 0.096 0.000 1.121 217 H CA -1.953 54.122 56.048 0.045 0.000 1.254 217 H CB 1.406 31.239 29.762 0.119 0.000 1.390 217 H HN 0.465 nan 8.280 nan 0.000 0.491 218 P HA 0.091 nan 4.420 nan 0.000 0.276 218 P C -0.208 177.171 177.300 0.132 0.000 1.230 218 P CA -0.250 62.922 63.100 0.120 0.000 0.776 218 P CB 0.965 32.648 31.700 -0.028 0.000 0.888 219 C N 5.083 124.469 119.300 0.144 0.000 2.364 219 C HA 0.409 4.868 4.460 -0.000 0.000 0.324 219 C C 1.384 176.387 174.990 0.022 0.000 1.234 219 C CA -0.498 58.559 59.018 0.065 0.000 1.417 219 C CB 0.877 28.648 27.740 0.051 0.000 2.101 219 C HN 0.606 nan 8.230 nan 0.000 0.466 220 R N 2.072 122.560 120.500 -0.021 0.000 2.508 220 R HA 0.204 4.544 4.340 -0.000 0.000 0.300 220 R C 0.568 176.783 176.300 -0.141 0.000 0.970 220 R CA -0.044 56.025 56.100 -0.051 0.000 1.102 220 R CB -0.213 30.076 30.300 -0.018 0.000 1.246 220 R HN 0.496 nan 8.270 nan 0.000 0.539 221 K N 0.534 120.821 120.400 -0.188 0.000 2.354 221 K HA 0.329 4.649 4.320 -0.000 0.000 0.194 221 K C 0.304 176.524 176.600 -0.634 0.000 1.038 221 K CA -0.025 56.056 56.287 -0.344 0.000 1.052 221 K CB 0.307 32.686 32.500 -0.201 0.000 0.861 221 K HN 0.016 nan 8.250 nan 0.000 0.535 222 L N 0.550 121.529 121.223 -0.406 0.000 2.482 222 L HA 0.019 4.359 4.340 -0.000 0.000 0.273 222 L C 0.351 176.883 176.870 -0.563 0.000 1.228 222 L CA 0.176 54.782 54.840 -0.390 0.000 0.827 222 L CB 0.131 42.093 42.059 -0.162 0.000 1.099 222 L HN 0.102 nan 8.230 nan 0.000 0.494 223 Y N 0.163 120.431 120.300 -0.053 0.000 2.524 223 Y HA 0.383 4.933 4.550 -0.000 0.000 0.266 223 Y C 1.110 176.981 175.900 -0.048 0.000 1.180 223 Y CA -0.416 57.655 58.100 -0.047 0.000 1.244 223 Y CB -0.253 38.174 38.460 -0.055 0.000 1.125 223 Y HN 0.604 nan 8.280 nan 0.000 0.524 224 A N 0.113 122.939 122.820 0.010 0.000 2.546 224 A HA 0.142 4.462 4.320 -0.000 0.000 0.243 224 A C 1.194 178.783 177.584 0.008 0.000 1.063 224 A CA 0.571 52.610 52.037 0.004 0.000 0.757 224 A CB 0.249 19.246 19.000 -0.005 0.000 0.991 224 A HN 0.392 nan 8.150 nan 0.000 0.503 225 S N 1.314 117.018 115.700 0.007 0.000 2.503 225 S HA 0.039 4.509 4.470 -0.000 0.000 0.217 225 S C 1.395 175.982 174.600 -0.021 0.000 0.999 225 S CA 1.168 59.367 58.200 -0.002 0.000 0.914 225 S CB 0.232 63.426 63.200 -0.010 0.000 0.782 225 S HN 0.867 nan 8.310 nan 0.000 0.520 226 T N -0.428 114.106 114.554 -0.034 0.000 3.464 226 T HA 0.254 4.604 4.350 -0.000 0.000 0.222 226 T C -0.634 174.097 174.700 0.052 0.000 0.982 226 T CA -0.134 61.927 62.100 -0.065 0.000 1.132 226 T CB 0.125 68.869 68.868 -0.208 0.000 1.226 226 T HN 0.294 nan 8.240 nan 0.000 0.346 227 H N 0.026 119.089 119.070 -0.013 0.000 2.529 227 H HA 0.534 5.090 4.556 -0.000 0.000 0.348 227 H C 0.399 175.725 175.328 -0.004 0.000 1.152 227 H CA -0.692 55.350 56.048 -0.009 0.000 1.202 227 H CB 2.492 32.261 29.762 0.011 0.000 1.562 227 H HN 0.027 nan 8.280 nan 0.000 0.515 228 V N 1.793 121.773 119.914 0.111 0.000 3.041 228 V HA -0.177 3.943 4.120 -0.000 0.000 0.260 228 V C 1.446 177.573 176.094 0.055 0.000 1.105 228 V CA 1.378 63.711 62.300 0.055 0.000 1.125 228 V CB -0.377 31.469 31.823 0.037 0.000 0.730 228 V HN 0.808 nan 8.190 nan 0.000 0.479 229 D N 0.837 121.292 120.400 0.092 0.000 2.345 229 D HA -0.180 4.460 4.640 -0.000 0.000 0.190 229 D C 1.650 177.980 176.300 0.051 0.000 1.024 229 D CA 2.311 56.368 54.000 0.095 0.000 0.893 229 D CB -0.000 40.913 40.800 0.189 0.000 0.907 229 D HN 0.560 nan 8.370 nan 0.000 0.452 230 S N -1.734 114.009 115.700 0.072 0.000 2.651 230 S HA 0.192 4.662 4.470 -0.000 0.000 0.246 230 S C 0.983 175.593 174.600 0.017 0.000 1.039 230 S CA -0.357 57.891 58.200 0.079 0.000 1.013 230 S CB 1.385 64.673 63.200 0.147 0.000 0.861 230 S HN 0.104 nan 8.310 nan 0.000 0.485 231 T N 1.290 115.831 114.554 -0.022 0.000 3.098 231 T HA 0.409 4.759 4.350 -0.000 0.000 0.246 231 T C 0.030 174.685 174.700 -0.075 0.000 0.983 231 T CA 0.389 62.438 62.100 -0.085 0.000 1.094 231 T CB 0.207 69.030 68.868 -0.074 0.000 1.035 231 T HN 0.154 nan 8.240 nan 0.000 0.456 232 I N 2.044 122.590 120.570 -0.040 0.000 2.411 232 I HA 0.395 4.565 4.170 -0.000 0.000 0.284 232 I C -1.149 174.952 176.117 -0.026 0.000 1.012 232 I CA -0.508 60.773 61.300 -0.031 0.000 1.119 232 I CB 2.096 40.094 38.000 -0.004 0.000 1.261 232 I HN -0.115 nan 8.210 nan 0.000 0.448 233 V N 8.957 128.853 119.914 -0.031 0.000 2.289 233 V HA 0.356 4.476 4.120 -0.000 0.000 0.272 233 V C -2.089 174.001 176.094 -0.006 0.000 1.026 233 V CA -1.661 60.611 62.300 -0.046 0.000 0.807 233 V CB 0.941 32.740 31.823 -0.040 0.000 1.044 233 V HN 0.523 nan 8.190 nan 0.000 0.443 234 P HA 0.137 nan 4.420 nan 0.000 0.266 234 P C 0.259 177.610 177.300 0.086 0.000 1.195 234 P CA 0.264 63.417 63.100 0.088 0.000 0.768 234 P CB 1.684 33.426 31.700 0.070 0.000 0.838 235 L N 1.686 122.936 121.223 0.044 0.000 2.653 235 L HA 0.277 4.617 4.340 -0.000 0.000 0.230 235 L C 1.072 177.892 176.870 -0.083 0.000 1.055 235 L CA 0.258 55.105 54.840 0.012 0.000 0.880 235 L CB 0.073 42.126 42.059 -0.010 0.000 1.195 235 L HN 0.524 nan 8.230 nan 0.000 0.492 236 R N -1.299 118.976 120.500 -0.375 0.000 2.765 236 R HA 0.302 4.641 4.340 -0.000 0.000 0.277 236 R C -3.111 172.563 176.300 -1.044 0.000 1.028 236 R CA -1.473 54.175 56.100 -0.752 0.000 0.860 236 R CB 0.056 30.160 30.300 -0.326 0.000 1.270 236 R HN -0.371 nan 8.270 nan 0.000 0.484 237 P HA 0.018 nan 4.420 nan 0.000 0.261 237 P C 0.470 177.129 177.300 -1.067 0.000 1.203 237 P CA 1.647 64.043 63.100 -1.175 0.000 0.767 237 P CB 0.576 31.975 31.700 -0.503 0.000 0.785 238 G N 1.809 109.392 108.800 -2.029 0.000 2.159 238 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.227 238 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.227 238 G C -0.549 174.000 174.900 -0.586 0.000 0.986 238 G CA 0.007 44.201 45.100 -1.510 0.000 0.651 238 G HN 0.643 nan 8.290 nan 0.000 0.523 239 L N 0.387 121.503 121.223 -0.178 0.000 2.528 239 L HA 0.845 5.185 4.340 -0.000 0.000 0.267 239 L C -0.820 176.177 176.870 0.212 0.000 0.961 239 L CA -0.995 53.860 54.840 0.025 0.000 0.866 239 L CB 2.167 44.172 42.059 -0.090 0.000 1.248 239 L HN 0.640 nan 8.230 nan 0.000 0.404 240 V N 5.785 125.802 119.914 0.171 0.000 2.789 240 V HA 0.649 4.769 4.120 -0.000 0.000 0.311 240 V C -1.461 174.629 176.094 -0.006 0.000 1.073 240 V CA -0.724 61.631 62.300 0.090 0.000 0.921 240 V CB 2.225 34.068 31.823 0.033 0.000 1.009 240 V HN 0.812 nan 8.190 nan 0.000 0.426 241 L N 6.436 127.646 121.223 -0.022 0.000 2.276 241 L HA 0.831 5.171 4.340 -0.000 0.000 0.286 241 L C 0.196 177.040 176.870 -0.044 0.000 1.061 241 L CA 0.820 55.636 54.840 -0.041 0.000 0.807 241 L CB 1.385 43.429 42.059 -0.024 0.000 1.177 241 L HN 0.991 nan 8.230 nan 0.000 0.429 242 T N 1.426 115.946 114.554 -0.057 0.000 2.932 242 T HA 0.395 4.745 4.350 -0.000 0.000 0.289 242 T C -0.300 174.332 174.700 -0.113 0.000 1.039 242 T CA -0.828 61.222 62.100 -0.083 0.000 1.024 242 T CB 0.962 69.774 68.868 -0.093 0.000 1.090 242 T HN 0.735 nan 8.240 nan 0.000 0.496 243 N N 2.508 121.088 118.700 -0.200 0.000 2.437 243 N HA 0.256 4.996 4.740 -0.000 0.000 0.243 243 N C -1.450 173.826 175.510 -0.389 0.000 1.041 243 N CA -2.511 50.282 53.050 -0.427 0.000 0.940 243 N CB 1.248 39.362 38.487 -0.621 0.000 1.133 243 N HN 0.438 nan 8.380 nan 0.000 0.506 244 P HA -0.110 nan 4.420 nan 0.000 0.226 244 P C 0.798 178.002 177.300 -0.161 0.000 1.153 244 P CA 0.936 63.941 63.100 -0.159 0.000 0.777 244 P CB 0.211 31.890 31.700 -0.035 0.000 0.794 245 S N -1.430 114.096 115.700 -0.290 0.000 2.496 245 S HA 0.107 4.577 4.470 -0.000 0.000 0.224 245 S C 2.022 176.508 174.600 -0.191 0.000 0.996 245 S CA 0.116 58.208 58.200 -0.181 0.000 0.927 245 S CB -0.313 62.813 63.200 -0.123 0.000 0.774 245 S HN 0.105 nan 8.310 nan 0.000 0.524 246 R N 0.361 120.727 120.500 -0.224 0.000 2.076 246 R HA 0.350 4.690 4.340 -0.000 0.000 0.203 246 R C 0.577 176.906 176.300 0.048 0.000 1.229 246 R CA 0.649 56.721 56.100 -0.047 0.000 1.094 246 R CB 0.094 30.322 30.300 -0.120 0.000 0.991 246 R HN 0.367 nan 8.270 nan 0.000 0.471 247 V N 2.039 121.919 119.914 -0.057 0.000 2.617 247 V HA 0.419 4.539 4.120 -0.000 0.000 0.298 247 V C -0.938 175.136 176.094 -0.033 0.000 1.048 247 V CA -0.509 61.771 62.300 -0.034 0.000 0.964 247 V CB 1.459 33.235 31.823 -0.078 0.000 1.004 247 V HN 0.590 nan 8.190 nan 0.000 0.466 248 N N 2.223 120.915 118.700 -0.013 0.000 3.600 248 N HA 0.459 5.199 4.740 -0.000 0.000 0.348 248 N C -0.053 175.442 175.510 -0.025 0.000 1.649 248 N CA -0.074 52.966 53.050 -0.017 0.000 0.710 248 N CB 0.441 38.930 38.487 0.003 0.000 2.380 248 N HN 0.427 nan 8.380 nan 0.000 0.631 249 D N -1.140 119.249 120.400 -0.017 0.000 2.305 249 D HA 0.057 4.697 4.640 -0.000 0.000 0.206 249 D C 0.652 176.940 176.300 -0.020 0.000 0.974 249 D CA 0.579 54.565 54.000 -0.023 0.000 0.871 249 D CB 0.261 41.051 40.800 -0.017 0.000 0.947 249 D HN 0.501 nan 8.370 nan 0.000 0.516 250 E N -0.142 120.055 120.200 -0.005 0.000 2.479 250 E HA 0.075 4.425 4.350 -0.000 0.000 0.193 250 E C 0.914 177.510 176.600 -0.007 0.000 1.049 250 E CA 0.018 56.417 56.400 -0.001 0.000 0.870 250 E CB 0.233 29.942 29.700 0.016 0.000 0.944 250 E HN 0.327 nan 8.360 nan 0.000 0.492 251 N N -0.169 118.522 118.700 -0.015 0.000 2.413 251 N HA 0.020 4.760 4.740 -0.000 0.000 0.193 251 N C 0.454 175.920 175.510 -0.074 0.000 1.043 251 N CA -0.230 52.798 53.050 -0.037 0.000 0.910 251 N CB 0.242 38.719 38.487 -0.016 0.000 1.111 251 N HN -0.032 nan 8.380 nan 0.000 0.452 252 M N 2.613 122.159 119.600 -0.089 0.000 2.243 252 M HA -0.067 4.413 4.480 -0.000 0.000 0.446 252 M C -2.351 173.850 176.300 -0.165 0.000 1.421 252 M CA -0.354 54.862 55.300 -0.140 0.000 0.772 252 M CB 0.340 32.858 32.600 -0.137 0.000 2.004 252 M HN 0.054 nan 8.290 nan 0.000 0.525 253 P HA 0.005 nan 4.420 nan 0.000 0.267 253 P C -0.459 176.669 177.300 -0.287 0.000 1.201 253 P CA 0.105 63.055 63.100 -0.249 0.000 0.775 253 P CB 0.463 31.921 31.700 -0.403 0.000 0.854 254 D N 0.973 121.279 120.400 -0.157 0.000 2.097 254 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 254 D C 1.351 177.576 176.300 -0.125 0.000 0.984 254 D CA 1.259 55.200 54.000 -0.098 0.000 0.826 254 D CB -0.771 40.029 40.800 -0.001 0.000 0.973 254 D HN 0.536 nan 8.370 nan 0.000 0.460 255 F N -0.264 119.527 119.950 -0.266 0.000 2.722 255 F HA 0.128 4.655 4.527 -0.000 0.000 0.298 255 F C 1.218 176.872 175.800 -0.243 0.000 1.175 255 F CA 0.389 58.247 58.000 -0.237 0.000 1.462 255 F CB -0.134 38.654 39.000 -0.354 0.000 1.111 255 F HN -0.109 nan 8.300 nan 0.000 0.592 256 L N 0.210 120.885 121.223 -0.913 0.000 2.638 256 L HA 0.292 4.632 4.340 -0.000 0.000 0.232 256 L C 2.132 178.809 176.870 -0.321 0.000 1.099 256 L CA 0.371 54.672 54.840 -0.898 0.000 0.883 256 L CB -0.883 40.492 42.059 -1.141 0.000 1.136 256 L HN 0.064 nan 8.230 nan 0.000 0.492 257 R N -0.919 119.463 120.500 -0.197 0.000 2.200 257 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 257 R C 2.399 178.714 176.300 0.025 0.000 1.127 257 R CA 1.436 57.492 56.100 -0.073 0.000 0.989 257 R CB -0.121 30.145 30.300 -0.056 0.000 0.869 257 R HN 0.373 nan 8.270 nan 0.000 0.459 258 S N -0.780 115.000 115.700 0.133 0.000 2.458 258 S HA -0.027 4.443 4.470 -0.000 0.000 0.223 258 S C 0.118 174.799 174.600 0.134 0.000 1.019 258 S CA -0.401 57.898 58.200 0.165 0.000 0.937 258 S CB 0.066 63.430 63.200 0.273 0.000 0.788 258 S HN 0.217 nan 8.310 nan 0.000 0.511 259 W N 3.422 124.649 121.300 -0.122 0.000 2.170 259 W HA 0.342 5.002 4.660 -0.000 0.000 0.342 259 W C 0.733 177.136 176.519 -0.193 0.000 1.294 259 W CA -1.011 56.205 57.345 -0.216 0.000 1.246 259 W CB 0.053 29.421 29.460 -0.153 0.000 1.156 259 W HN 0.288 nan 8.180 nan 0.000 0.572 260 E N 2.676 122.859 120.200 -0.029 0.000 2.360 260 E HA -0.042 4.308 4.350 -0.000 0.000 0.269 260 E C -0.437 176.168 176.600 0.008 0.000 1.022 260 E CA -0.290 56.090 56.400 -0.033 0.000 0.887 260 E CB 0.499 30.157 29.700 -0.070 0.000 0.990 260 E HN 0.338 nan 8.360 nan 0.000 0.426 261 N N 4.941 123.633 118.700 -0.013 0.000 2.417 261 N HA 0.227 4.967 4.740 -0.000 0.000 0.274 261 N C -0.853 174.622 175.510 -0.058 0.000 0.987 261 N CA -0.701 52.330 53.050 -0.031 0.000 0.912 261 N CB 0.810 39.273 38.487 -0.039 0.000 1.177 261 N HN 0.556 nan 8.380 nan 0.000 0.490 262 I N 0.375 120.885 120.570 -0.100 0.000 2.354 262 I HA 0.478 4.648 4.170 -0.000 0.000 0.292 262 I C -0.238 175.829 176.117 -0.083 0.000 0.989 262 I CA -0.564 60.654 61.300 -0.137 0.000 1.188 262 I CB 1.500 39.300 38.000 -0.334 0.000 1.342 262 I HN 0.166 nan 8.210 nan 0.000 0.457 263 T N 6.139 120.665 114.554 -0.047 0.000 2.870 263 T HA 0.070 4.420 4.350 -0.000 0.000 0.300 263 T C 0.056 174.763 174.700 0.012 0.000 0.989 263 T CA -0.092 61.997 62.100 -0.017 0.000 1.139 263 T CB 0.448 69.317 68.868 0.001 0.000 0.920 263 T HN 0.773 nan 8.240 nan 0.000 0.537 264 C N 7.417 126.745 119.300 0.047 0.000 2.653 264 C HA 0.366 4.826 4.460 -0.000 0.000 0.421 264 C C -1.632 173.450 174.990 0.154 0.000 1.334 264 C CA -1.652 57.437 59.018 0.118 0.000 1.885 264 C CB -0.403 27.470 27.740 0.222 0.000 2.645 264 C HN 0.656 nan 8.230 nan 0.000 0.601 265 P HA 0.209 nan 4.420 nan 0.000 0.274 265 P C -0.990 176.383 177.300 0.121 0.000 1.260 265 P CA 0.015 63.174 63.100 0.098 0.000 0.793 265 P CB 0.297 32.031 31.700 0.058 0.000 1.048 266 E N 0.478 120.717 120.200 0.066 0.000 2.316 266 E HA 0.328 4.678 4.350 -0.000 0.000 0.275 266 E C -0.350 176.184 176.600 -0.110 0.000 1.029 266 E CA -0.807 55.579 56.400 -0.023 0.000 0.871 266 E CB 0.013 29.703 29.700 -0.018 0.000 1.022 266 E HN 0.052 nan 8.360 nan 0.000 0.418 267 L N 2.712 123.775 121.223 -0.267 0.000 2.479 267 L HA 0.210 4.550 4.340 -0.000 0.000 0.248 267 L C 0.190 176.963 176.870 -0.162 0.000 1.205 267 L CA -0.857 53.861 54.840 -0.203 0.000 0.817 267 L CB 0.630 42.519 42.059 -0.284 0.000 1.162 267 L HN 0.534 nan 8.230 nan 0.000 0.486 268 V N 0.424 120.275 119.914 -0.106 0.000 2.686 268 V HA 0.117 4.237 4.120 -0.000 0.000 0.295 268 V C -0.197 175.843 176.094 -0.090 0.000 1.057 268 V CA -0.564 61.690 62.300 -0.077 0.000 1.012 268 V CB 1.405 33.202 31.823 -0.043 0.000 1.006 268 V HN 0.679 nan 8.190 nan 0.000 0.477 269 D N 4.557 124.913 120.400 -0.073 0.000 2.483 269 D HA 0.201 4.841 4.640 -0.000 0.000 0.220 269 D C 0.364 176.648 176.300 -0.027 0.000 1.173 269 D CA -0.412 53.555 54.000 -0.055 0.000 0.964 269 D CB 0.002 40.781 40.800 -0.035 0.000 1.046 269 D HN 0.483 nan 8.370 nan 0.000 0.517 270 I N -0.001 120.556 120.570 -0.022 0.000 2.948 270 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 270 I C 1.134 177.257 176.117 0.010 0.000 1.226 270 I CA -0.633 60.659 61.300 -0.014 0.000 1.413 270 I CB 0.502 38.494 38.000 -0.014 0.000 1.352 270 I HN 0.190 nan 8.210 nan 0.000 0.597 271 G N 4.107 112.902 108.800 -0.009 0.000 2.525 271 G HA2 0.466 4.426 3.960 -0.000 0.000 0.276 271 G HA3 0.466 4.426 3.960 -0.000 0.000 0.276 271 G C -0.775 174.195 174.900 0.117 0.000 1.388 271 G CA -0.533 44.563 45.100 -0.007 0.000 1.050 271 G HN 0.904 nan 8.290 nan 0.000 0.520 272 F N -3.139 116.834 119.950 0.038 0.000 2.608 272 F HA 0.684 5.211 4.527 -0.000 0.000 0.309 272 F C -0.741 175.104 175.800 0.076 0.000 1.103 272 F CA -1.209 56.832 58.000 0.068 0.000 0.954 272 F CB 1.693 40.737 39.000 0.074 0.000 1.267 272 F HN 0.403 nan 8.300 nan 0.000 0.444 273 T N 2.697 117.411 114.554 0.267 0.000 2.772 273 T HA 0.738 5.088 4.350 -0.000 0.000 0.288 273 T C 0.093 174.964 174.700 0.284 0.000 0.994 273 T CA 0.351 62.542 62.100 0.152 0.000 0.951 273 T CB 0.749 69.686 68.868 0.116 0.000 0.933 273 T HN 1.344 nan 8.240 nan 0.000 0.447 274 G N 3.040 112.008 108.800 0.280 0.000 2.579 274 G HA2 0.123 4.083 3.960 -0.000 0.000 0.080 274 G HA3 0.123 4.083 3.960 -0.000 0.000 0.080 274 G C -0.258 174.813 174.900 0.284 0.000 1.040 274 G CA 0.121 45.396 45.100 0.291 0.000 1.118 274 G HN 0.488 nan 8.290 nan 0.000 0.485 275 D N -0.951 119.637 120.400 0.313 0.000 2.272 275 D HA 0.278 4.918 4.640 -0.000 0.000 0.308 275 D C -0.209 176.226 176.300 0.225 0.000 1.104 275 D CA 0.767 54.907 54.000 0.234 0.000 0.939 275 D CB 0.959 41.864 40.800 0.175 0.000 1.733 275 D HN 0.080 nan 8.370 nan 0.000 0.517 276 K N 1.378 121.839 120.400 0.102 0.000 2.513 276 K HA 0.440 4.760 4.320 -0.000 0.000 0.251 276 K C -2.609 173.722 176.600 -0.448 0.000 0.939 276 K CA -1.832 54.339 56.287 -0.193 0.000 0.793 276 K CB 2.527 34.919 32.500 -0.180 0.000 1.241 276 K HN -0.081 nan 8.250 nan 0.000 0.431 277 P HA 0.025 nan 4.420 nan 0.000 0.269 277 P C 0.044 177.245 177.300 -0.165 0.000 1.215 277 P CA 0.132 62.688 63.100 -0.907 0.000 0.780 277 P CB 0.724 31.800 31.700 -1.040 0.000 0.898 278 H N -0.164 118.863 119.070 -0.071 0.000 2.520 278 H HA 0.150 4.706 4.556 -0.000 0.000 0.279 278 H C -0.258 175.062 175.328 -0.013 0.000 0.990 278 H CA 0.006 56.074 56.048 0.034 0.000 1.288 278 H CB 0.576 30.421 29.762 0.138 0.000 1.446 278 H HN 0.293 nan 8.280 nan 0.000 0.538 279 C N 1.273 120.571 119.300 -0.004 0.000 2.634 279 C HA 0.322 4.782 4.460 -0.000 0.000 0.313 279 C C 0.241 175.227 174.990 -0.007 0.000 1.198 279 C CA -0.681 58.310 59.018 -0.046 0.000 1.605 279 C CB 1.390 29.094 27.740 -0.060 0.000 2.196 279 C HN 0.634 nan 8.230 nan 0.000 0.486 280 S N 1.616 117.335 115.700 0.032 0.000 2.576 280 S HA 0.107 4.576 4.470 -0.000 0.000 0.272 280 S C 1.254 175.875 174.600 0.036 0.000 1.352 280 S CA 0.222 58.465 58.200 0.072 0.000 1.021 280 S CB 0.681 64.005 63.200 0.208 0.000 0.887 280 S HN 1.363 nan 8.310 nan 0.000 0.542 281 V N -0.686 119.178 119.914 -0.082 0.000 2.794 281 V HA -0.126 3.994 4.120 -0.000 0.000 0.260 281 V C 1.706 177.647 176.094 -0.255 0.000 1.103 281 V CA 1.325 63.499 62.300 -0.209 0.000 1.125 281 V CB -1.734 29.863 31.823 -0.376 0.000 0.702 281 V HN 0.913 nan 8.190 nan 0.000 0.494 282 W N 1.184 122.498 121.300 0.024 0.000 2.747 282 W HA 0.105 4.765 4.660 -0.000 0.000 0.244 282 W C 2.218 178.755 176.519 0.030 0.000 1.270 282 W CA 0.482 57.842 57.345 0.025 0.000 1.333 282 W CB -0.354 29.118 29.460 0.019 0.000 1.139 282 W HN 0.385 nan 8.180 nan 0.000 0.662 283 I N -1.861 118.813 120.570 0.172 0.000 2.614 283 I HA 0.049 4.219 4.170 -0.000 0.000 0.258 283 I C 2.043 178.236 176.117 0.127 0.000 1.189 283 I CA 1.571 62.952 61.300 0.134 0.000 1.462 283 I CB -1.908 36.141 38.000 0.083 0.000 1.092 283 I HN 0.082 nan 8.210 nan 0.000 0.442 284 G N 1.609 110.466 108.800 0.095 0.000 2.503 284 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.221 284 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.221 284 G C 1.643 176.628 174.900 0.142 0.000 1.131 284 G CA 0.950 46.102 45.100 0.088 0.000 0.756 284 G HN 0.413 nan 8.290 nan 0.000 0.572 285 M N 0.344 120.058 119.600 0.191 0.000 2.562 285 M HA 0.036 4.516 4.480 -0.000 0.000 0.257 285 M C 1.283 177.675 176.300 0.153 0.000 1.099 285 M CA 0.111 55.522 55.300 0.186 0.000 1.099 285 M CB -0.093 32.658 32.600 0.252 0.000 1.427 285 M HN 0.162 nan 8.290 nan 0.000 0.489 286 N N 2.725 121.524 118.700 0.165 0.000 3.063 286 N HA 0.018 4.758 4.740 -0.000 0.000 0.327 286 N C -0.712 174.936 175.510 0.231 0.000 1.225 286 N CA -0.147 53.004 53.050 0.168 0.000 1.184 286 N CB -0.206 38.375 38.487 0.157 0.000 1.438 286 N HN 0.187 nan 8.380 nan 0.000 0.555 287 L N -0.659 120.671 121.223 0.178 0.000 2.456 287 L HA 0.535 4.875 4.340 -0.000 0.000 0.257 287 L C -0.401 176.568 176.870 0.166 0.000 1.162 287 L CA -0.623 54.327 54.840 0.182 0.000 0.808 287 L CB 0.547 42.664 42.059 0.097 0.000 1.136 287 L HN -0.024 nan 8.230 nan 0.000 0.466 288 L N 2.085 123.408 121.223 0.167 0.000 2.342 288 L HA 0.580 4.920 4.340 -0.000 0.000 0.276 288 L C -0.930 176.004 176.870 0.108 0.000 0.997 288 L CA -0.382 54.573 54.840 0.192 0.000 0.838 288 L CB 1.633 43.832 42.059 0.233 0.000 1.224 288 L HN 0.506 nan 8.230 nan 0.000 0.416 289 V N 6.682 126.667 119.914 0.117 0.000 2.427 289 V HA 0.083 4.203 4.120 -0.000 0.000 0.268 289 V C 1.129 177.286 176.094 0.104 0.000 1.046 289 V CA -0.027 62.339 62.300 0.109 0.000 0.970 289 V CB 1.120 33.036 31.823 0.155 0.000 1.001 289 V HN 0.788 nan 8.190 nan 0.000 0.476 290 V N 5.645 125.603 119.914 0.074 0.000 2.535 290 V HA 0.070 4.190 4.120 -0.000 0.000 0.246 290 V C 0.940 177.075 176.094 0.068 0.000 1.045 290 V CA 1.371 63.706 62.300 0.059 0.000 1.058 290 V CB -0.535 31.308 31.823 0.034 0.000 0.689 290 V HN 0.990 nan 8.190 nan 0.000 0.461 291 R N -1.496 119.055 120.500 0.085 0.000 2.752 291 R HA 0.366 4.706 4.340 -0.000 0.000 0.271 291 R C -2.823 173.558 176.300 0.135 0.000 1.026 291 R CA -1.704 54.459 56.100 0.106 0.000 0.901 291 R CB 0.394 30.740 30.300 0.077 0.000 1.243 291 R HN -0.194 nan 8.270 nan 0.000 0.463 292 P HA -0.184 nan 4.420 nan 0.000 0.220 292 P C 0.111 177.452 177.300 0.068 0.000 1.144 292 P CA 1.621 64.805 63.100 0.140 0.000 0.800 292 P CB 0.035 31.821 31.700 0.144 0.000 0.772 293 D N -2.744 117.691 120.400 0.058 0.000 2.469 293 D HA 0.122 4.762 4.640 -0.000 0.000 0.215 293 D C -0.068 176.251 176.300 0.031 0.000 1.154 293 D CA -0.102 53.919 54.000 0.036 0.000 0.832 293 D CB -0.051 40.767 40.800 0.029 0.000 1.008 293 D HN 0.088 nan 8.370 nan 0.000 0.506 294 L N 1.093 122.339 121.223 0.039 0.000 2.409 294 L HA 0.748 5.088 4.340 -0.000 0.000 0.272 294 L C -1.674 175.213 176.870 0.027 0.000 0.980 294 L CA -0.561 54.294 54.840 0.025 0.000 0.826 294 L CB 1.971 44.043 42.059 0.023 0.000 1.268 294 L HN 0.123 nan 8.230 nan 0.000 0.407 295 A N 3.782 126.605 122.820 0.005 0.000 2.515 295 A HA 0.748 5.068 4.320 -0.000 0.000 0.298 295 A C -1.593 175.955 177.584 -0.060 0.000 1.059 295 A CA -0.355 51.681 52.037 -0.002 0.000 0.698 295 A CB 1.962 20.969 19.000 0.010 0.000 1.289 295 A HN 1.101 nan 8.150 nan 0.000 0.404 296 V N 2.165 122.015 119.914 -0.105 0.000 2.398 296 V HA 0.790 4.910 4.120 -0.000 0.000 0.286 296 V C -1.012 174.882 176.094 -0.333 0.000 1.026 296 V CA -0.232 61.899 62.300 -0.281 0.000 0.868 296 V CB 1.011 32.583 31.823 -0.417 0.000 0.982 296 V HN 0.845 nan 8.190 nan 0.000 0.443 297 V N 5.497 125.226 119.914 -0.308 0.000 2.823 297 V HA 0.420 4.540 4.120 -0.000 0.000 0.312 297 V C -0.188 175.831 176.094 -0.126 0.000 1.072 297 V CA -0.725 61.489 62.300 -0.143 0.000 0.937 297 V CB 1.931 33.730 31.823 -0.039 0.000 1.013 297 V HN 1.030 nan 8.190 nan 0.000 0.430 298 D N 2.927 123.399 120.400 0.120 0.000 2.450 298 D HA 0.004 4.644 4.640 -0.000 0.000 0.247 298 D C 1.239 177.581 176.300 0.069 0.000 1.162 298 D CA -0.256 53.861 54.000 0.196 0.000 0.879 298 D CB 0.971 41.924 40.800 0.255 0.000 1.163 298 D HN 0.673 nan 8.370 nan 0.000 0.472 299 R N 2.967 123.493 120.500 0.044 0.000 2.377 299 R HA -0.053 4.287 4.340 -0.000 0.000 0.207 299 R C 1.216 177.527 176.300 0.019 0.000 1.075 299 R CA 0.915 57.025 56.100 0.017 0.000 1.035 299 R CB -0.067 30.239 30.300 0.010 0.000 0.857 299 R HN 0.296 nan 8.270 nan 0.000 0.475 300 R N -0.042 120.475 120.500 0.028 0.000 2.312 300 R HA 0.127 4.467 4.340 -0.000 0.000 0.205 300 R C 0.208 176.514 176.300 0.009 0.000 0.904 300 R CA 0.033 56.141 56.100 0.013 0.000 1.052 300 R CB 0.516 30.821 30.300 0.008 0.000 1.014 300 R HN 0.186 nan 8.270 nan 0.000 0.503 301 Q N 0.765 120.577 119.800 0.019 0.000 3.207 301 Q HA 0.022 4.362 4.340 -0.000 0.000 0.335 301 Q C 0.915 176.923 176.000 0.013 0.000 1.374 301 Q CA 0.282 56.094 55.803 0.016 0.000 1.023 301 Q CB 0.900 29.657 28.738 0.032 0.000 1.576 301 Q HN 0.142 nan 8.270 nan 0.000 0.515 302 T N -1.501 113.057 114.554 0.007 0.000 2.788 302 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 302 T C 1.727 176.434 174.700 0.011 0.000 1.044 302 T CA 1.445 63.549 62.100 0.007 0.000 1.139 302 T CB 0.262 69.132 68.868 0.003 0.000 0.867 302 T HN 0.399 nan 8.240 nan 0.000 0.454 303 A N 1.553 124.379 122.820 0.010 0.000 1.883 303 A HA 0.064 4.384 4.320 -0.000 0.000 0.217 303 A C 2.347 179.946 177.584 0.026 0.000 1.186 303 A CA 1.846 53.893 52.037 0.017 0.000 0.624 303 A CB -1.113 17.896 19.000 0.015 0.000 0.822 303 A HN 0.557 nan 8.150 nan 0.000 0.444 304 L N -0.132 121.108 121.223 0.028 0.000 2.046 304 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 304 L C 2.191 179.078 176.870 0.028 0.000 1.077 304 L CA 1.735 56.596 54.840 0.034 0.000 0.747 304 L CB -0.528 41.558 42.059 0.044 0.000 0.896 304 L HN 0.429 nan 8.230 nan 0.000 0.432 305 I N -1.032 119.550 120.570 0.021 0.000 2.252 305 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 305 I C 2.697 178.827 176.117 0.022 0.000 1.102 305 I CA 0.954 62.263 61.300 0.015 0.000 1.385 305 I CB -0.398 37.605 38.000 0.005 0.000 1.064 305 I HN 0.231 nan 8.210 nan 0.000 0.414 306 R N 0.415 120.929 120.500 0.024 0.000 2.103 306 R HA -0.253 4.087 4.340 -0.000 0.000 0.234 306 R C 2.362 178.691 176.300 0.049 0.000 1.132 306 R CA 2.157 58.275 56.100 0.029 0.000 0.925 306 R CB -0.874 29.441 30.300 0.026 0.000 0.842 306 R HN 0.212 nan 8.270 nan 0.000 0.430 307 L N 1.567 122.824 121.223 0.057 0.000 1.978 307 L HA -0.241 4.099 4.340 -0.000 0.000 0.218 307 L C 2.206 179.148 176.870 0.119 0.000 1.075 307 L CA 1.810 56.703 54.840 0.090 0.000 0.767 307 L CB -0.830 41.259 42.059 0.051 0.000 0.890 307 L HN 0.245 nan 8.230 nan 0.000 0.434 308 L N -0.531 120.727 121.223 0.058 0.000 2.021 308 L HA -0.289 4.051 4.340 -0.000 0.000 0.215 308 L C 2.621 179.542 176.870 0.084 0.000 1.074 308 L CA 2.007 56.879 54.840 0.052 0.000 0.760 308 L CB -0.786 41.286 42.059 0.023 0.000 0.889 308 L HN 0.432 nan 8.230 nan 0.000 0.433 309 E N -0.151 120.085 120.200 0.061 0.000 2.077 309 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 309 E C 2.172 178.802 176.600 0.049 0.000 0.989 309 E CA 0.999 57.426 56.400 0.044 0.000 0.800 309 E CB -0.135 29.579 29.700 0.024 0.000 0.746 309 E HN 0.372 nan 8.360 nan 0.000 0.452 310 K N 0.450 120.893 120.400 0.072 0.000 2.160 310 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 310 K C 0.848 177.402 176.600 -0.077 0.000 1.047 310 K CA 1.225 57.523 56.287 0.019 0.000 0.930 310 K CB -0.080 32.456 32.500 0.060 0.000 0.720 310 K HN 0.196 nan 8.250 nan 0.000 0.450 311 H N -1.084 117.976 119.070 -0.017 0.000 2.605 311 H HA 0.205 4.761 4.556 -0.000 0.000 0.308 311 H C 0.333 175.645 175.328 -0.028 0.000 1.080 311 H CA 0.415 56.447 56.048 -0.026 0.000 1.119 311 H CB 0.386 30.131 29.762 -0.028 0.000 1.479 311 H HN 0.375 nan 8.280 nan 0.000 0.537 312 G N 1.213 110.035 108.800 0.037 0.000 2.338 312 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.296 312 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.296 312 G C -0.033 174.883 174.900 0.026 0.000 1.040 312 G CA 0.395 45.505 45.100 0.017 0.000 1.004 312 G HN 0.383 nan 8.290 nan 0.000 0.509 313 M N 0.578 120.200 119.600 0.037 0.000 2.046 313 M HA 0.453 4.933 4.480 -0.000 0.000 0.309 313 M C -0.127 176.186 176.300 0.020 0.000 0.935 313 M CA -0.573 54.744 55.300 0.029 0.000 0.915 313 M CB 0.636 33.256 32.600 0.034 0.000 1.474 313 M HN 0.231 nan 8.290 nan 0.000 0.415 314 N N 2.409 121.118 118.700 0.014 0.000 2.488 314 N HA 0.467 5.207 4.740 -0.000 0.000 0.274 314 N C -0.765 174.743 175.510 -0.002 0.000 1.111 314 N CA -0.500 52.553 53.050 0.006 0.000 0.974 314 N CB 1.462 39.951 38.487 0.004 0.000 1.089 314 N HN 0.517 nan 8.380 nan 0.000 0.465 315 V N 1.983 121.891 119.914 -0.011 0.000 2.850 315 V HA 0.677 4.797 4.120 -0.000 0.000 0.315 315 V C -0.876 175.193 176.094 -0.041 0.000 1.064 315 V CA -0.885 61.398 62.300 -0.028 0.000 0.979 315 V CB 1.531 33.337 31.823 -0.030 0.000 1.039 315 V HN 0.541 nan 8.190 nan 0.000 0.452 316 L N 5.982 127.163 121.223 -0.070 0.000 2.401 316 L HA 0.717 5.057 4.340 -0.000 0.000 0.263 316 L C -2.754 174.040 176.870 -0.128 0.000 1.004 316 L CA -1.678 53.114 54.840 -0.080 0.000 0.881 316 L CB 1.800 43.814 42.059 -0.075 0.000 1.219 316 L HN 0.618 nan 8.230 nan 0.000 0.441 317 P HA 0.306 nan 4.420 nan 0.000 0.284 317 P C -0.849 176.400 177.300 -0.086 0.000 1.343 317 P CA -0.036 63.003 63.100 -0.102 0.000 0.826 317 P CB 1.072 32.742 31.700 -0.050 0.000 0.956 318 L N 2.606 123.743 121.223 -0.144 0.000 2.421 318 L HA 0.650 4.990 4.340 -0.000 0.000 0.267 318 L C 0.704 177.664 176.870 0.150 0.000 1.036 318 L CA -0.815 54.015 54.840 -0.017 0.000 0.829 318 L CB 0.816 42.852 42.059 -0.038 0.000 1.437 318 L HN 0.314 nan 8.230 nan 0.000 0.488 319 Q N 0.302 120.269 119.800 0.278 0.000 2.315 319 Q HA 0.590 4.930 4.340 -0.000 0.000 0.273 319 Q C -2.003 174.129 176.000 0.219 0.000 1.053 319 Q CA -0.505 55.455 55.803 0.261 0.000 0.817 319 Q CB 1.850 30.653 28.738 0.108 0.000 1.326 319 Q HN 0.555 nan 8.270 nan 0.000 0.423 320 L N 4.339 125.629 121.223 0.112 0.000 2.356 320 L HA 0.321 4.661 4.340 -0.000 0.000 0.264 320 L C 0.609 177.428 176.870 -0.085 0.000 1.029 320 L CA -0.340 54.460 54.840 -0.067 0.000 0.897 320 L CB 1.404 43.280 42.059 -0.304 0.000 1.256 320 L HN 0.943 nan 8.230 nan 0.000 0.444 321 T N -0.391 114.073 114.554 -0.151 0.000 2.652 321 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 321 T C 1.235 175.717 174.700 -0.363 0.000 1.039 321 T CA 1.387 63.299 62.100 -0.312 0.000 1.153 321 T CB -0.181 68.368 68.868 -0.532 0.000 0.863 321 T HN 0.474 nan 8.240 nan 0.000 0.428 322 H N 1.195 120.218 119.070 -0.077 0.000 2.708 322 H HA 0.378 4.934 4.556 -0.000 0.000 0.309 322 H C 1.757 177.023 175.328 -0.104 0.000 1.084 322 H CA -0.182 55.807 56.048 -0.099 0.000 1.165 322 H CB -0.206 29.455 29.762 -0.169 0.000 1.388 322 H HN 0.257 nan 8.280 nan 0.000 0.553 323 S N 0.585 116.287 115.700 0.002 0.000 2.370 323 S HA -0.138 4.332 4.470 -0.000 0.000 0.226 323 S C 2.117 176.742 174.600 0.041 0.000 1.033 323 S CA 0.925 59.138 58.200 0.021 0.000 1.011 323 S CB 0.084 63.288 63.200 0.007 0.000 0.852 323 S HN 0.578 nan 8.310 nan 0.000 0.457 324 R N 0.616 121.156 120.500 0.068 0.000 2.235 324 R HA 0.066 4.406 4.340 -0.000 0.000 0.213 324 R C 1.903 178.287 176.300 0.139 0.000 1.059 324 R CA 1.121 57.276 56.100 0.093 0.000 0.997 324 R CB -0.598 29.784 30.300 0.135 0.000 0.884 324 R HN 0.329 nan 8.270 nan 0.000 0.462 325 T N 1.434 116.071 114.554 0.138 0.000 2.814 325 T HA 0.090 4.440 4.350 -0.000 0.000 0.254 325 T C 1.835 176.603 174.700 0.114 0.000 1.037 325 T CA 0.705 62.901 62.100 0.160 0.000 1.143 325 T CB 0.075 69.002 68.868 0.099 0.000 0.866 325 T HN 0.094 nan 8.240 nan 0.000 0.431 326 L N 0.396 121.536 121.223 -0.138 0.000 2.446 326 L HA 0.306 4.646 4.340 -0.000 0.000 0.219 326 L C 1.353 178.221 176.870 -0.003 0.000 1.116 326 L CA 0.159 54.843 54.840 -0.260 0.000 0.844 326 L CB -0.327 41.302 42.059 -0.717 0.000 0.970 326 L HN 0.468 nan 8.230 nan 0.000 0.457 327 G N 0.640 109.421 108.800 -0.032 0.000 2.546 327 G HA2 0.010 3.970 3.960 -0.000 0.000 0.285 327 G HA3 0.010 3.970 3.960 -0.000 0.000 0.285 327 G C 0.080 175.030 174.900 0.083 0.000 1.105 327 G CA -0.110 44.928 45.100 -0.102 0.000 1.189 327 G HN 0.592 nan 8.290 nan 0.000 0.534 328 G N -0.910 107.976 108.800 0.144 0.000 2.750 328 G HA2 0.857 4.817 3.960 -0.000 0.000 0.298 328 G HA3 0.857 4.817 3.960 -0.000 0.000 0.298 328 G C 0.216 175.123 174.900 0.012 0.000 1.412 328 G CA 0.565 45.714 45.100 0.081 0.000 1.078 328 G HN 1.365 nan 8.290 nan 0.000 0.573 329 G N -0.138 108.636 108.800 -0.043 0.000 2.971 329 G HA2 0.558 4.518 3.960 -0.000 0.000 0.235 329 G HA3 0.558 4.518 3.960 -0.000 0.000 0.235 329 G C 0.616 175.384 174.900 -0.220 0.000 1.351 329 G CA -0.741 44.297 45.100 -0.103 0.000 1.039 329 G HN 0.372 nan 8.290 nan 0.000 0.563 330 F N -0.926 119.070 119.950 0.077 0.000 2.134 330 F HA -0.039 4.488 4.527 -0.000 0.000 0.299 330 F C 2.456 178.300 175.800 0.073 0.000 1.097 330 F CA 1.832 59.871 58.000 0.065 0.000 1.264 330 F CB -0.270 38.773 39.000 0.072 0.000 1.001 330 F HN 0.480 nan 8.300 nan 0.000 0.479 331 H N -1.188 117.966 119.070 0.140 0.000 2.326 331 H HA -0.173 4.383 4.556 -0.000 0.000 0.301 331 H C 2.326 177.651 175.328 -0.005 0.000 1.081 331 H CA 1.806 57.894 56.048 0.066 0.000 1.334 331 H CB -0.356 29.445 29.762 0.065 0.000 1.385 331 H HN 0.308 nan 8.280 nan 0.000 0.504 332 C N 1.010 120.327 119.300 0.028 0.000 2.413 332 C HA -0.069 4.391 4.460 -0.000 0.000 0.276 332 C C 2.810 177.666 174.990 -0.223 0.000 1.248 332 C CA 1.100 60.069 59.018 -0.082 0.000 1.742 332 C CB -1.153 26.583 27.740 -0.007 0.000 2.017 332 C HN 0.658 nan 8.230 nan 0.000 0.481 333 A N -0.222 122.412 122.820 -0.311 0.000 2.265 333 A HA 0.275 4.595 4.320 -0.000 0.000 0.213 333 A C 0.762 178.242 177.584 -0.174 0.000 1.255 333 A CA 1.154 52.944 52.037 -0.411 0.000 0.862 333 A CB -0.617 18.092 19.000 -0.484 0.000 0.852 333 A HN 0.742 nan 8.150 nan 0.000 0.484 334 T N -3.471 111.007 114.554 -0.126 0.000 2.843 334 T HA 0.606 4.956 4.350 -0.000 0.000 0.302 334 T C -1.149 173.479 174.700 -0.119 0.000 1.232 334 T CA -0.752 61.309 62.100 -0.064 0.000 1.009 334 T CB 1.672 70.536 68.868 -0.006 0.000 1.254 334 T HN 0.278 nan 8.240 nan 0.000 0.504 335 L N 2.994 124.173 121.223 -0.073 0.000 2.504 335 L HA 0.381 4.721 4.340 -0.000 0.000 0.265 335 L C -1.325 175.509 176.870 -0.060 0.000 0.975 335 L CA -0.441 54.339 54.840 -0.100 0.000 0.864 335 L CB 1.524 43.526 42.059 -0.094 0.000 1.212 335 L HN 1.051 nan 8.230 nan 0.000 0.416 336 D N 4.388 124.744 120.400 -0.073 0.000 2.325 336 D HA 0.031 4.671 4.640 -0.000 0.000 0.251 336 D C 1.040 177.285 176.300 -0.091 0.000 1.196 336 D CA -0.307 53.657 54.000 -0.059 0.000 0.866 336 D CB 2.184 42.952 40.800 -0.054 0.000 1.101 336 D HN 0.378 nan 8.370 nan 0.000 0.476 337 V N 1.096 120.952 119.914 -0.096 0.000 3.650 337 V HA 0.242 4.362 4.120 -0.000 0.000 0.271 337 V C 0.524 176.493 176.094 -0.208 0.000 1.281 337 V CA 0.196 62.386 62.300 -0.182 0.000 1.120 337 V CB -0.663 31.003 31.823 -0.261 0.000 0.856 337 V HN 0.637 nan 8.190 nan 0.000 0.443 338 R N 0.707 121.119 120.500 -0.146 0.000 2.678 338 R HA 0.498 4.838 4.340 -0.000 0.000 0.267 338 R C -1.396 174.849 176.300 -0.091 0.000 1.173 338 R CA -0.468 55.551 56.100 -0.135 0.000 1.061 338 R CB 1.246 31.472 30.300 -0.123 0.000 1.262 338 R HN 0.451 nan 8.270 nan 0.000 0.427 339 R N 1.956 122.399 120.500 -0.095 0.000 2.534 339 R HA 0.277 4.617 4.340 -0.000 0.000 0.301 339 R C -0.501 175.784 176.300 -0.026 0.000 0.961 339 R CA -0.947 55.117 56.100 -0.061 0.000 0.871 339 R CB 2.159 32.405 30.300 -0.089 0.000 1.170 339 R HN 0.711 nan 8.270 nan 0.000 0.446 340 T N 0.147 114.701 114.554 0.000 0.000 2.902 340 T HA 0.450 4.800 4.350 -0.000 0.000 0.301 340 T C 0.648 175.377 174.700 0.049 0.000 1.012 340 T CA 0.711 62.826 62.100 0.024 0.000 1.151 340 T CB 0.684 69.569 68.868 0.028 0.000 0.946 340 T HN 0.862 nan 8.240 nan 0.000 0.542 341 G N 1.565 110.409 108.800 0.074 0.000 2.357 341 G HA2 0.559 4.519 3.960 -0.000 0.000 0.289 341 G HA3 0.559 4.519 3.960 -0.000 0.000 0.289 341 G C -0.982 173.994 174.900 0.127 0.000 1.302 341 G CA -0.314 44.846 45.100 0.099 0.000 0.936 341 G HN 1.479 nan 8.290 nan 0.000 0.513 342 A N -1.302 121.557 122.820 0.065 0.000 2.486 342 A HA 0.899 5.219 4.320 -0.000 0.000 0.289 342 A C -0.945 176.434 177.584 -0.341 0.000 1.176 342 A CA -0.500 51.465 52.037 -0.119 0.000 0.757 342 A CB 1.723 20.674 19.000 -0.080 0.000 1.337 342 A HN 1.976 nan 8.150 nan 0.000 0.423 343 L N 0.721 121.594 121.223 -0.583 0.000 2.281 343 L HA 0.561 4.901 4.340 -0.000 0.000 0.285 343 L C -0.079 176.630 176.870 -0.268 0.000 1.074 343 L CA 0.563 55.092 54.840 -0.519 0.000 0.817 343 L CB 0.372 42.106 42.059 -0.542 0.000 1.168 343 L HN 0.835 nan 8.230 nan 0.000 0.434 344 E N 1.867 121.931 120.200 -0.227 0.000 2.446 344 E HA 0.520 4.870 4.350 -0.000 0.000 0.269 344 E C -1.250 175.056 176.600 -0.490 0.000 0.977 344 E CA -0.971 55.223 56.400 -0.344 0.000 0.854 344 E CB 2.061 31.525 29.700 -0.393 0.000 1.545 344 E HN 0.369 nan 8.360 nan 0.000 0.448 345 T N 1.459 115.686 114.554 -0.545 0.000 2.892 345 T HA 0.260 4.610 4.350 -0.000 0.000 0.311 345 T C -1.086 173.344 174.700 -0.450 0.000 1.033 345 T CA -0.464 61.389 62.100 -0.411 0.000 0.991 345 T CB -0.032 68.714 68.868 -0.204 0.000 0.981 345 T HN 0.306 nan 8.240 nan 0.000 0.457 346 Y N 2.367 122.762 120.300 0.158 0.000 2.994 346 Y HA 0.222 4.771 4.550 -0.000 0.000 0.393 346 Y C 1.160 177.092 175.900 0.054 0.000 1.118 346 Y CA -0.816 57.298 58.100 0.024 0.000 1.906 346 Y CB -0.501 38.259 38.460 0.500 0.000 1.925 346 Y HN 0.431 nan 8.280 nan 0.000 0.446 347 Q N 1.008 120.825 119.800 0.029 0.000 2.340 347 Q HA 0.406 4.746 4.340 -0.000 0.000 0.259 347 Q C -0.995 175.047 176.000 0.070 0.000 0.964 347 Q CA -0.519 55.416 55.803 0.219 0.000 0.900 347 Q CB 1.167 30.023 28.738 0.195 0.000 1.228 347 Q HN 0.275 nan 8.270 nan 0.000 0.449 348 F N 0.000 120.032 119.950 0.136 0.000 2.286 348 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 348 F CA 0.000 58.031 58.000 0.052 0.000 1.383 348 F CB 0.000 38.991 39.000 -0.016 0.000 1.145 348 F HN 0.000 nan 8.300 nan 0.000 0.574