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 3ofl_1_O DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAG 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.647 177.584 0.104 0.000 1.274 20 A CA 0.000 52.069 52.037 0.054 0.000 0.836 20 A CB 0.000 19.033 19.000 0.056 0.000 0.831 21 V N 1.982 121.916 119.914 0.034 0.000 2.732 21 V HA 0.534 4.654 4.120 0.000 0.000 0.297 21 V C 0.275 176.329 176.094 -0.067 0.000 1.060 21 V CA -0.203 62.128 62.300 0.051 0.000 1.038 21 V CB 1.434 33.182 31.823 -0.125 0.000 1.003 21 V HN 0.802 nan 8.190 nan 0.000 0.481 22 V N 2.978 122.945 119.914 0.089 0.000 2.823 22 V HA 0.390 4.510 4.120 0.000 0.000 0.312 22 V C 0.117 176.224 176.094 0.022 0.000 1.072 22 V CA -1.107 61.163 62.300 -0.050 0.000 0.937 22 V CB 2.003 33.801 31.823 -0.041 0.000 1.013 22 V HN 0.852 nan 8.190 nan 0.000 0.430 23 N N 2.220 120.926 118.700 0.010 0.000 2.440 23 N HA -0.033 4.707 4.740 0.000 0.000 0.265 23 N C 1.579 177.092 175.510 0.006 0.000 1.239 23 N CA 0.868 53.995 53.050 0.128 0.000 0.909 23 N CB 1.650 40.230 38.487 0.156 0.000 1.066 23 N HN 1.035 nan 8.380 nan 0.000 0.474 24 T N 0.490 115.018 114.554 -0.043 0.000 2.751 24 T HA -0.217 4.133 4.350 0.000 0.000 0.268 24 T C 0.851 175.289 174.700 -0.437 0.000 1.045 24 T CA 1.390 63.222 62.100 -0.447 0.000 1.142 24 T CB -0.085 68.682 68.868 -0.168 0.000 0.851 24 T HN 0.463 nan 8.240 nan 0.000 0.474 25 D N 1.453 121.753 120.400 -0.168 0.000 2.403 25 D HA -0.040 4.600 4.640 0.000 0.000 0.227 25 D C 1.125 177.377 176.300 -0.080 0.000 0.995 25 D CA 0.787 54.724 54.000 -0.104 0.000 0.928 25 D CB -0.251 40.531 40.800 -0.030 0.000 0.887 25 D HN 0.516 nan 8.370 nan 0.000 0.529 26 D N -1.015 119.330 120.400 -0.093 0.000 2.367 26 D HA -0.022 4.618 4.640 0.000 0.000 0.207 26 D C 1.061 177.411 176.300 0.083 0.000 1.034 26 D CA 0.315 54.320 54.000 0.009 0.000 0.861 26 D CB 0.229 41.060 40.800 0.052 0.000 0.943 26 D HN 0.478 nan 8.370 nan 0.000 0.515 27 Y N -2.386 117.921 120.300 0.012 0.000 2.672 27 Y HA 0.485 5.035 4.550 0.000 0.000 0.252 27 Y C -0.405 175.541 175.900 0.075 0.000 1.132 27 Y CA -0.545 57.571 58.100 0.026 0.000 1.228 27 Y CB 0.279 38.732 38.460 -0.011 0.000 1.310 27 Y HN -0.316 nan 8.280 nan 0.000 0.549 28 V N 2.313 122.167 119.914 -0.100 0.000 2.327 28 V HA 0.263 4.383 4.120 0.000 0.000 0.272 28 V C -0.145 175.918 176.094 -0.051 0.000 1.019 28 V CA -0.591 61.677 62.300 -0.053 0.000 0.814 28 V CB 0.876 32.605 31.823 -0.157 0.000 1.040 28 V HN 0.373 nan 8.190 nan 0.000 0.440 29 T N 5.050 119.596 114.554 -0.013 0.000 2.834 29 T HA 0.351 4.701 4.350 0.000 0.000 0.298 29 T C 0.341 175.016 174.700 -0.041 0.000 0.966 29 T CA -0.127 61.962 62.100 -0.019 0.000 1.141 29 T CB 0.454 69.320 68.868 -0.003 0.000 0.905 29 T HN 0.491 nan 8.240 nan 0.000 0.535 30 R N 1.676 122.153 120.500 -0.038 0.000 2.457 30 R HA 0.523 4.863 4.340 0.000 0.000 0.284 30 R C 1.200 177.464 176.300 -0.059 0.000 1.024 30 R CA -0.678 55.389 56.100 -0.055 0.000 1.025 30 R CB 0.927 31.208 30.300 -0.032 0.000 1.063 30 R HN 0.805 nan 8.270 nan 0.000 0.493 31 T N -2.233 112.258 114.554 -0.104 0.000 2.920 31 T HA 0.193 4.543 4.350 0.000 0.000 0.292 31 T C 0.908 175.518 174.700 -0.149 0.000 1.093 31 T CA -0.413 61.627 62.100 -0.099 0.000 0.944 31 T CB 0.898 69.706 68.868 -0.101 0.000 1.605 31 T HN 0.528 nan 8.240 nan 0.000 0.590 32 S N -1.155 114.472 115.700 -0.122 0.000 2.730 32 S HA 0.352 4.822 4.470 0.000 0.000 0.244 32 S C -0.246 174.278 174.600 -0.126 0.000 1.022 32 S CA -0.590 57.560 58.200 -0.084 0.000 1.014 32 S CB -0.548 62.694 63.200 0.070 0.000 0.963 32 S HN 0.475 nan 8.310 nan 0.000 0.540 33 I N 2.871 123.316 120.570 -0.207 0.000 2.312 33 I HA 0.475 4.645 4.170 0.000 0.000 0.291 33 I C -0.787 175.280 176.117 -0.084 0.000 1.031 33 I CA -0.477 60.811 61.300 -0.021 0.000 1.293 33 I CB -0.053 38.027 38.000 0.134 0.000 1.403 33 I HN 0.160 nan 8.210 nan 0.000 0.484 34 F N 5.781 125.863 119.950 0.219 0.000 2.522 34 F HA 0.603 5.130 4.527 0.000 0.000 0.324 34 F C -0.397 175.502 175.800 0.165 0.000 1.077 34 F CA -0.673 57.454 58.000 0.211 0.000 0.944 34 F CB 1.385 40.409 39.000 0.041 0.000 1.175 34 F HN 0.195 nan 8.300 nan 0.000 0.468 35 Y N 0.429 120.857 120.300 0.214 0.000 2.570 35 Y HA 0.417 4.967 4.550 0.000 0.000 0.345 35 Y C -0.449 175.374 175.900 -0.129 0.000 1.014 35 Y CA -1.035 57.109 58.100 0.074 0.000 1.063 35 Y CB 1.646 40.149 38.460 0.072 0.000 1.272 35 Y HN 0.493 nan 8.280 nan 0.000 0.477 36 H N 1.202 120.172 119.070 -0.167 0.000 2.538 36 H HA 0.856 5.412 4.556 0.000 0.000 0.353 36 H C -1.856 173.157 175.328 -0.524 0.000 1.109 36 H CA -0.764 55.063 56.048 -0.368 0.000 1.192 36 H CB 1.583 31.109 29.762 -0.394 0.000 1.555 36 H HN 0.823 nan 8.280 nan 0.000 0.518 37 A N 3.004 125.322 122.820 -0.837 0.000 2.449 37 A HA 0.720 5.040 4.320 0.000 0.000 0.302 37 A C -0.743 176.590 177.584 -0.419 0.000 1.048 37 A CA -0.150 51.566 52.037 -0.535 0.000 0.708 37 A CB 1.799 20.363 19.000 -0.727 0.000 1.274 37 A HN 0.877 nan 8.150 nan 0.000 0.410 38 G N 0.404 109.126 108.800 -0.130 0.000 2.746 38 G HA2 0.612 4.572 3.960 0.000 0.000 0.297 38 G HA3 0.612 4.572 3.960 0.000 0.000 0.297 38 G C -0.189 174.717 174.900 0.009 0.000 1.426 38 G CA 0.232 45.300 45.100 -0.054 0.000 0.989 38 G HN 1.553 nan 8.290 nan 0.000 0.520 39 S N 0.439 116.127 115.700 -0.019 0.000 2.608 39 S HA 0.505 4.975 4.470 0.000 0.000 0.261 39 S C 1.620 176.215 174.600 -0.008 0.000 1.314 39 S CA 0.522 58.705 58.200 -0.028 0.000 0.992 39 S CB 1.233 64.363 63.200 -0.117 0.000 0.935 39 S HN 1.467 nan 8.310 nan 0.000 0.564 40 S N 1.050 116.757 115.700 0.012 0.000 2.326 40 S HA 0.122 4.592 4.470 0.000 0.000 0.177 40 S C 0.636 175.241 174.600 0.008 0.000 1.249 40 S CA -0.023 58.195 58.200 0.031 0.000 1.797 40 S CB -0.479 62.752 63.200 0.051 0.000 0.744 40 S HN 0.957 nan 8.310 nan 0.000 0.375 41 R N 0.449 120.963 120.500 0.023 0.000 2.625 41 R HA 0.431 4.771 4.340 0.000 0.000 0.286 41 R C -1.643 174.694 176.300 0.062 0.000 1.406 41 R CA -0.420 55.691 56.100 0.018 0.000 1.052 41 R CB 0.349 30.664 30.300 0.026 0.000 1.203 41 R HN 0.518 nan 8.270 nan 0.000 0.502 42 L N 4.722 125.966 121.223 0.036 0.000 2.410 42 L HA 0.324 4.664 4.340 0.000 0.000 0.273 42 L C -0.308 176.717 176.870 0.260 0.000 1.152 42 L CA -0.229 54.699 54.840 0.146 0.000 0.855 42 L CB 0.624 42.573 42.059 -0.184 0.000 1.129 42 L HN 0.476 nan 8.230 nan 0.000 0.463 43 L N 2.952 124.413 121.223 0.396 0.000 2.465 43 L HA 0.800 5.140 4.340 0.000 0.000 0.257 43 L C -0.689 176.370 176.870 0.315 0.000 0.988 43 L CA 0.062 55.085 54.840 0.304 0.000 0.827 43 L CB 2.648 44.803 42.059 0.159 0.000 1.397 43 L HN 0.605 nan 8.230 nan 0.000 0.410 44 T N 2.310 116.990 114.554 0.211 0.000 3.289 44 T HA 0.640 4.990 4.350 0.000 0.000 0.370 44 T C -1.762 172.953 174.700 0.025 0.000 1.546 44 T CA 0.131 62.290 62.100 0.097 0.000 1.144 44 T CB 0.744 69.654 68.868 0.070 0.000 1.379 44 T HN 1.296 nan 8.240 nan 0.000 0.478 45 V N 1.388 121.295 119.914 -0.011 0.000 3.102 45 V HA 1.131 5.251 4.120 0.000 0.000 0.312 45 V C 0.251 176.326 176.094 -0.032 0.000 1.135 45 V CA 0.173 62.452 62.300 -0.034 0.000 1.022 45 V CB 1.325 33.132 31.823 -0.025 0.000 1.056 45 V HN 1.614 nan 8.190 nan 0.000 0.436 46 G N 0.608 109.390 108.800 -0.031 0.000 2.323 46 G HA2 0.271 4.231 3.960 0.000 0.000 0.291 46 G HA3 0.271 4.231 3.960 0.000 0.000 0.291 46 G C -1.943 172.925 174.900 -0.053 0.000 1.278 46 G CA -0.222 44.858 45.100 -0.034 0.000 0.860 46 G HN 0.981 nan 8.290 nan 0.000 0.504 47 D N 0.671 121.012 120.400 -0.098 0.000 2.304 47 D HA 0.328 4.968 4.640 0.000 0.000 0.250 47 D C -1.218 174.933 176.300 -0.249 0.000 1.107 47 D CA -1.529 52.334 54.000 -0.227 0.000 0.885 47 D CB 2.288 42.883 40.800 -0.341 0.000 1.192 47 D HN 0.056 nan 8.370 nan 0.000 0.436 48 P HA -0.042 nan 4.420 nan 0.000 0.241 48 P C 0.568 177.733 177.300 -0.224 0.000 1.191 48 P CA 0.737 63.641 63.100 -0.326 0.000 0.771 48 P CB 0.129 31.535 31.700 -0.490 0.000 0.929 49 Y N -0.380 119.775 120.300 -0.243 0.000 2.581 49 Y HA 0.252 4.802 4.550 0.000 0.000 0.271 49 Y C 0.861 176.720 175.900 -0.069 0.000 1.100 49 Y CA -0.699 57.288 58.100 -0.187 0.000 1.281 49 Y CB 0.441 38.761 38.460 -0.233 0.000 1.237 49 Y HN -0.177 nan 8.280 nan 0.000 0.514 50 F N -0.822 119.232 119.950 0.174 0.000 2.746 50 F HA 0.441 4.968 4.527 0.000 0.000 0.311 50 F C -0.996 174.849 175.800 0.075 0.000 1.135 50 F CA -2.245 55.821 58.000 0.110 0.000 0.954 50 F CB 0.564 39.621 39.000 0.095 0.000 1.276 50 F HN -0.173 nan 8.300 nan 0.000 0.440 51 R N 1.002 121.675 120.500 0.287 0.000 2.543 51 R HA 0.666 5.006 4.340 0.000 0.000 0.277 51 R C -1.420 175.056 176.300 0.293 0.000 1.074 51 R CA -0.672 55.543 56.100 0.192 0.000 1.076 51 R CB 0.990 31.360 30.300 0.116 0.000 0.993 51 R HN 0.536 nan 8.270 nan 0.000 0.459 52 V N 4.889 124.928 119.914 0.207 0.000 2.348 52 V HA 0.226 4.346 4.120 0.000 0.000 0.270 52 V C -1.947 174.223 176.094 0.127 0.000 1.037 52 V CA -2.193 60.238 62.300 0.217 0.000 0.872 52 V CB 0.947 32.888 31.823 0.196 0.000 1.002 52 V HN 0.805 nan 8.190 nan 0.000 0.464 53 P HA 0.030 nan 4.420 nan 0.000 0.256 53 P C 0.299 177.634 177.300 0.057 0.000 1.173 53 P CA 0.476 63.615 63.100 0.065 0.000 0.768 53 P CB 0.315 32.044 31.700 0.049 0.000 0.758 54 A N 4.453 127.299 122.820 0.043 0.000 2.583 54 A HA 0.327 4.647 4.320 0.000 0.000 0.231 54 A C 1.876 179.478 177.584 0.031 0.000 1.065 54 A CA 0.733 52.790 52.037 0.033 0.000 0.760 54 A CB -1.083 17.929 19.000 0.021 0.000 1.001 54 A HN 0.879 nan 8.150 nan 0.000 0.509 55 G N 0.603 109.419 108.800 0.027 0.000 2.238 55 G HA2 -0.248 3.712 3.960 0.000 0.000 0.270 55 G HA3 -0.248 3.712 3.960 0.000 0.000 0.270 55 G C 1.547 176.464 174.900 0.029 0.000 0.977 55 G CA 1.535 46.649 45.100 0.024 0.000 0.639 55 G HN 2.052 nan 8.290 nan 0.000 0.544 56 G N -0.189 108.634 108.800 0.039 0.000 2.462 56 G HA2 0.248 4.208 3.960 0.000 0.000 0.220 56 G HA3 0.248 4.208 3.960 0.000 0.000 0.220 56 G C 1.431 176.359 174.900 0.047 0.000 1.121 56 G CA 2.002 47.127 45.100 0.041 0.000 0.758 56 G HN 1.622 nan 8.290 nan 0.000 0.559 57 G N -0.595 108.238 108.800 0.054 0.000 2.512 57 G HA2 0.229 4.189 3.960 0.000 0.000 0.193 57 G HA3 0.229 4.189 3.960 0.000 0.000 0.193 57 G C 0.145 175.068 174.900 0.037 0.000 1.278 57 G CA 0.467 45.601 45.100 0.057 0.000 0.722 57 G HN 0.604 nan 8.290 nan 0.000 0.925 58 N N 0.168 118.887 118.700 0.031 0.000 2.405 58 N HA 0.184 4.924 4.740 0.000 0.000 0.274 58 N C -1.030 174.487 175.510 0.012 0.000 1.170 58 N CA -0.708 52.350 53.050 0.013 0.000 0.848 58 N CB 1.978 40.462 38.487 -0.004 0.000 1.629 58 N HN 0.079 nan 8.380 nan 0.000 0.481 59 K N 1.053 121.456 120.400 0.005 0.000 2.561 59 K HA -0.123 4.197 4.320 0.000 0.000 0.280 59 K C -0.338 176.264 176.600 0.003 0.000 0.975 59 K CA 0.490 56.780 56.287 0.004 0.000 1.024 59 K CB 0.196 32.697 32.500 0.000 0.000 0.883 59 K HN 0.727 nan 8.250 nan 0.000 0.496 60 Q N 1.524 121.327 119.800 0.005 0.000 3.166 60 Q HA -0.166 4.174 4.340 0.000 0.000 0.025 60 Q C -1.631 174.374 176.000 0.009 0.000 1.692 60 Q CA 1.420 57.224 55.803 0.003 0.000 0.233 60 Q CB -0.231 28.504 28.738 -0.004 0.000 1.400 60 Q HN 0.832 nan 8.270 nan 0.000 0.320 61 D N 1.950 122.354 120.400 0.007 0.000 2.304 61 D HA 0.345 4.985 4.640 0.000 0.000 0.247 61 D C 0.192 176.499 176.300 0.010 0.000 1.089 61 D CA -0.176 53.834 54.000 0.016 0.000 0.910 61 D CB 0.523 41.331 40.800 0.013 0.000 1.199 61 D HN 0.360 nan 8.370 nan 0.000 0.426 62 I N 2.969 123.554 120.570 0.024 0.000 2.347 62 I HA 0.220 4.390 4.170 0.000 0.000 0.283 62 I C -2.272 173.851 176.117 0.009 0.000 1.058 62 I CA -2.497 58.811 61.300 0.012 0.000 1.202 62 I CB 0.172 38.186 38.000 0.024 0.000 1.386 62 I HN -0.123 nan 8.210 nan 0.000 0.475 63 P HA -0.044 nan 4.420 nan 0.000 0.266 63 P C -0.007 177.289 177.300 -0.007 0.000 1.186 63 P CA -0.033 63.059 63.100 -0.014 0.000 0.767 63 P CB 0.656 32.327 31.700 -0.048 0.000 0.820 64 K N 2.712 123.120 120.400 0.014 0.000 2.310 64 K HA 0.272 4.592 4.320 0.000 0.000 0.290 64 K C -1.272 175.348 176.600 0.034 0.000 1.077 64 K CA -0.311 55.989 56.287 0.021 0.000 0.922 64 K CB -0.007 32.533 32.500 0.068 0.000 1.057 64 K HN 0.162 nan 8.250 nan 0.000 0.479 65 V N 3.647 123.582 119.914 0.035 0.000 2.349 65 V HA 0.235 4.355 4.120 0.000 0.000 0.284 65 V C -0.391 175.817 176.094 0.189 0.000 1.014 65 V CA -0.686 61.663 62.300 0.082 0.000 0.826 65 V CB 1.186 33.028 31.823 0.032 0.000 1.009 65 V HN 0.805 nan 8.190 nan 0.000 0.431 66 S N 3.210 119.048 115.700 0.230 0.000 2.638 66 S HA 0.784 5.254 4.470 0.000 0.000 0.302 66 S C 1.066 175.841 174.600 0.291 0.000 1.096 66 S CA 0.242 58.621 58.200 0.298 0.000 0.953 66 S CB 2.168 65.534 63.200 0.275 0.000 1.107 66 S HN 0.871 nan 8.310 nan 0.000 0.503 67 A N 1.522 124.436 122.820 0.157 0.000 2.072 67 A HA 0.232 4.552 4.320 0.000 0.000 0.216 67 A C 0.210 177.655 177.584 -0.232 0.000 1.156 67 A CA 0.642 52.656 52.037 -0.038 0.000 0.701 67 A CB -0.455 18.340 19.000 -0.342 0.000 0.816 67 A HN 0.792 nan 8.150 nan 0.000 0.458 68 Y N 1.329 121.712 120.300 0.139 0.000 2.928 68 Y HA 0.358 4.908 4.550 0.000 0.000 0.390 68 Y C 0.325 176.244 175.900 0.031 0.000 1.101 68 Y CA -0.359 57.781 58.100 0.067 0.000 1.777 68 Y CB -0.245 38.244 38.460 0.048 0.000 1.720 68 Y HN 0.514 nan 8.280 nan 0.000 0.484 69 Q N -1.718 118.148 119.800 0.110 0.000 2.309 69 Q HA 0.403 4.743 4.340 0.000 0.000 0.273 69 Q C -1.515 174.525 176.000 0.067 0.000 1.040 69 Q CA -1.273 54.596 55.803 0.111 0.000 0.834 69 Q CB 1.398 30.232 28.738 0.160 0.000 1.345 69 Q HN 0.217 nan 8.270 nan 0.000 0.414 70 Y N 0.936 121.284 120.300 0.081 0.000 2.578 70 Y HA 0.119 4.669 4.550 0.000 0.000 0.339 70 Y C 0.498 176.388 175.900 -0.016 0.000 1.231 70 Y CA 0.093 58.219 58.100 0.044 0.000 1.461 70 Y CB 0.651 39.129 38.460 0.030 0.000 1.323 70 Y HN 0.307 nan 8.280 nan 0.000 0.590 71 R N 2.339 122.870 120.500 0.052 0.000 2.337 71 R HA 0.433 4.773 4.340 0.000 0.000 0.319 71 R C -1.711 174.367 176.300 -0.371 0.000 0.954 71 R CA -0.700 55.239 56.100 -0.268 0.000 0.840 71 R CB 1.287 31.282 30.300 -0.508 0.000 1.164 71 R HN 0.412 nan 8.270 nan 0.000 0.472 72 V N 5.495 125.233 119.914 -0.293 0.000 2.334 72 V HA 0.418 4.538 4.120 0.000 0.000 0.281 72 V C -0.340 175.602 176.094 -0.253 0.000 1.016 72 V CA -0.678 61.533 62.300 -0.148 0.000 0.832 72 V CB 0.820 32.728 31.823 0.142 0.000 0.999 72 V HN 0.456 nan 8.190 nan 0.000 0.439 73 F N 3.388 123.309 119.950 -0.049 0.000 2.404 73 F HA 0.581 5.108 4.527 0.000 0.000 0.339 73 F C 0.710 176.341 175.800 -0.282 0.000 1.105 73 F CA -0.609 57.312 58.000 -0.131 0.000 1.087 73 F CB 1.204 40.063 39.000 -0.236 0.000 1.143 73 F HN 0.312 nan 8.300 nan 0.000 0.491 74 R N 3.076 123.474 120.500 -0.171 0.000 2.278 74 R HA 0.491 4.831 4.340 0.000 0.000 0.322 74 R C -1.646 174.443 176.300 -0.353 0.000 1.058 74 R CA -0.388 55.341 56.100 -0.617 0.000 0.991 74 R CB 0.648 30.580 30.300 -0.612 0.000 1.140 74 R HN 0.588 nan 8.270 nan 0.000 0.518 75 V N 4.405 124.103 119.914 -0.361 0.000 2.455 75 V HA 0.058 4.178 4.120 0.000 0.000 0.273 75 V C 0.153 176.084 176.094 -0.271 0.000 1.045 75 V CA -0.152 61.992 62.300 -0.260 0.000 0.976 75 V CB 1.225 32.858 31.823 -0.317 0.000 0.993 75 V HN 0.650 nan 8.190 nan 0.000 0.475 76 Q N 5.041 124.727 119.800 -0.190 0.000 2.368 76 Q HA 0.542 4.882 4.340 0.000 0.000 0.256 76 Q C -0.893 174.989 176.000 -0.197 0.000 0.980 76 Q CA -0.034 55.673 55.803 -0.160 0.000 0.887 76 Q CB 1.073 29.756 28.738 -0.092 0.000 1.221 76 Q HN 0.701 nan 8.270 nan 0.000 0.458 77 L N 5.352 126.422 121.223 -0.255 0.000 2.431 77 L HA 0.689 5.029 4.340 0.000 0.000 0.260 77 L C -1.912 174.729 176.870 -0.381 0.000 1.098 77 L CA -2.290 52.299 54.840 -0.418 0.000 0.800 77 L CB 1.098 42.810 42.059 -0.578 0.000 1.210 77 L HN 0.591 nan 8.230 nan 0.000 0.465 78 P HA 0.037 nan 4.420 nan 0.000 0.284 78 P C -1.209 175.932 177.300 -0.266 0.000 1.253 78 P CA -0.411 62.397 63.100 -0.487 0.000 0.800 78 P CB 1.034 32.205 31.700 -0.882 0.000 0.961 79 D N 4.396 124.700 120.400 -0.160 0.000 2.363 79 D HA 0.004 4.644 4.640 0.000 0.000 0.263 79 D C -0.962 175.239 176.300 -0.165 0.000 1.258 79 D CA -1.804 52.136 54.000 -0.101 0.000 0.907 79 D CB 0.658 41.444 40.800 -0.024 0.000 1.107 79 D HN 0.228 nan 8.370 nan 0.000 0.495 80 P HA -0.162 nan 4.420 nan 0.000 0.221 80 P C 0.727 177.857 177.300 -0.284 0.000 1.145 80 P CA 0.837 63.606 63.100 -0.553 0.000 0.795 80 P CB 0.572 31.550 31.700 -1.202 0.000 0.775 81 N N 0.967 119.544 118.700 -0.206 0.000 2.148 81 N HA -0.047 4.693 4.740 0.000 0.000 0.186 81 N C 1.287 176.800 175.510 0.005 0.000 1.031 81 N CA 1.038 54.020 53.050 -0.115 0.000 0.848 81 N CB -0.387 38.039 38.487 -0.100 0.000 1.005 81 N HN 0.307 nan 8.380 nan 0.000 0.427 82 K N 0.244 120.663 120.400 0.032 0.000 2.665 82 K HA 0.081 4.401 4.320 0.000 0.000 0.214 82 K C -0.435 176.246 176.600 0.135 0.000 1.032 82 K CA -0.153 56.173 56.287 0.065 0.000 1.198 82 K CB -0.207 32.326 32.500 0.056 0.000 0.941 82 K HN 0.030 nan 8.250 nan 0.000 0.491 83 F N 0.860 120.767 119.950 -0.073 0.000 2.469 83 F HA 0.431 4.958 4.527 0.000 0.000 0.332 83 F C 0.506 176.292 175.800 -0.024 0.000 1.103 83 F CA -1.438 56.526 58.000 -0.060 0.000 0.979 83 F CB 1.154 40.089 39.000 -0.109 0.000 1.137 83 F HN -0.007 nan 8.300 nan 0.000 0.463 84 G N 6.738 115.191 108.800 -0.579 0.000 2.343 84 G HA2 0.395 4.355 3.960 0.000 0.000 0.254 84 G HA3 0.395 4.355 3.960 0.000 0.000 0.254 84 G C -0.734 173.804 174.900 -0.603 0.000 1.277 84 G CA -0.473 44.349 45.100 -0.464 0.000 0.909 84 G HN 0.705 nan 8.290 nan 0.000 0.502 85 L N 4.046 125.128 121.223 -0.237 0.000 2.375 85 L HA 0.349 4.689 4.340 0.000 0.000 0.268 85 L C -0.722 176.139 176.870 -0.015 0.000 1.058 85 L CA -1.966 52.827 54.840 -0.079 0.000 0.803 85 L CB 2.211 44.269 42.059 -0.002 0.000 1.212 85 L HN 0.410 nan 8.230 nan 0.000 0.451 86 P HA -0.102 nan 4.420 nan 0.000 0.228 86 P C -0.472 176.848 177.300 0.033 0.000 1.151 86 P CA 1.097 64.228 63.100 0.051 0.000 0.770 86 P CB 0.145 31.889 31.700 0.074 0.000 0.786 87 D N -2.220 118.202 120.400 0.037 0.000 2.795 87 D HA 0.097 4.737 4.640 0.000 0.000 0.206 87 D C -0.722 175.606 176.300 0.047 0.000 1.278 87 D CA -0.364 53.656 54.000 0.033 0.000 0.839 87 D CB 0.223 41.046 40.800 0.038 0.000 1.700 87 D HN -0.387 nan 8.370 nan 0.000 0.549 88 T N 1.717 116.297 114.554 0.044 0.000 3.284 88 T HA 0.240 4.590 4.350 0.000 0.000 0.249 88 T C 0.772 175.522 174.700 0.084 0.000 0.944 88 T CA 0.291 62.443 62.100 0.088 0.000 0.919 88 T CB -0.222 68.683 68.868 0.061 0.000 1.089 88 T HN 0.385 nan 8.240 nan 0.000 0.576 89 S N 0.047 115.792 115.700 0.074 0.000 2.809 89 S HA 0.254 4.724 4.470 0.000 0.000 0.248 89 S C 1.215 175.862 174.600 0.078 0.000 1.071 89 S CA -0.521 57.706 58.200 0.045 0.000 1.059 89 S CB -0.259 62.950 63.200 0.015 0.000 0.923 89 S HN 0.273 nan 8.310 nan 0.000 0.516 90 I N 1.245 121.904 120.570 0.149 0.000 3.030 90 I HA 0.229 4.399 4.170 0.000 0.000 0.270 90 I C 0.885 177.119 176.117 0.195 0.000 1.211 90 I CA 0.493 61.866 61.300 0.121 0.000 1.479 90 I CB -1.297 36.737 38.000 0.056 0.000 1.105 90 I HN 0.721 nan 8.210 nan 0.000 0.447 91 Y N -0.500 119.763 120.300 -0.061 0.000 2.853 91 Y HA 0.536 5.086 4.550 0.000 0.000 0.326 91 Y C -0.856 175.004 175.900 -0.068 0.000 1.384 91 Y CA -1.624 56.433 58.100 -0.071 0.000 1.077 91 Y CB 1.027 39.425 38.460 -0.103 0.000 1.395 91 Y HN -0.100 nan 8.280 nan 0.000 0.451 92 N N 2.580 121.045 118.700 -0.390 0.000 2.564 92 N HA 0.389 5.129 4.740 0.000 0.000 0.248 92 N C -2.307 172.804 175.510 -0.664 0.000 0.986 92 N CA -2.849 49.907 53.050 -0.489 0.000 0.921 92 N CB 1.695 40.053 38.487 -0.215 0.000 1.136 92 N HN 0.402 nan 8.380 nan 0.000 0.509 93 P HA -0.141 nan 4.420 nan 0.000 0.231 93 P C 0.159 177.304 177.300 -0.259 0.000 1.154 93 P CA 1.021 63.768 63.100 -0.588 0.000 0.762 93 P CB 0.539 31.971 31.700 -0.446 0.000 0.790 94 E N -0.462 119.601 120.200 -0.228 0.000 2.166 94 E HA -0.017 4.333 4.350 0.000 0.000 0.192 94 E C 1.777 178.321 176.600 -0.094 0.000 0.967 94 E CA 1.625 57.948 56.400 -0.130 0.000 0.840 94 E CB -0.477 29.157 29.700 -0.110 0.000 0.795 94 E HN 0.399 nan 8.360 nan 0.000 0.470 95 T N -1.704 112.791 114.554 -0.100 0.000 3.044 95 T HA 0.148 4.498 4.350 0.000 0.000 0.260 95 T C 0.667 175.339 174.700 -0.046 0.000 1.019 95 T CA -0.389 61.677 62.100 -0.058 0.000 0.921 95 T CB 0.325 69.167 68.868 -0.044 0.000 1.053 95 T HN 0.075 nan 8.240 nan 0.000 0.533 96 Q N -0.225 119.542 119.800 -0.056 0.000 2.511 96 Q HA 0.692 5.032 4.340 0.000 0.000 0.289 96 Q C -1.493 174.486 176.000 -0.035 0.000 1.021 96 Q CA -1.388 54.400 55.803 -0.025 0.000 0.785 96 Q CB 1.697 30.465 28.738 0.051 0.000 1.472 96 Q HN -0.073 nan 8.270 nan 0.000 0.411 97 R N 0.377 120.736 120.500 -0.236 0.000 2.888 97 R HA 0.664 5.004 4.340 0.000 0.000 0.266 97 R C -0.846 175.151 176.300 -0.505 0.000 1.020 97 R CA -0.900 54.885 56.100 -0.524 0.000 0.963 97 R CB 1.558 31.029 30.300 -1.381 0.000 1.197 97 R HN 0.650 nan 8.270 nan 0.000 0.481 98 L N 0.806 121.670 121.223 -0.600 0.000 2.334 98 L HA 0.697 5.037 4.340 0.000 0.000 0.273 98 L C -0.434 176.174 176.870 -0.436 0.000 1.013 98 L CA -1.017 53.477 54.840 -0.576 0.000 0.816 98 L CB 1.990 43.586 42.059 -0.772 0.000 1.278 98 L HN 0.144 nan 8.230 nan 0.000 0.431 99 V N -0.245 119.429 119.914 -0.401 0.000 3.007 99 V HA 0.389 4.509 4.120 0.000 0.000 0.311 99 V C -1.314 174.570 176.094 -0.350 0.000 1.120 99 V CA -0.863 61.265 62.300 -0.286 0.000 0.980 99 V CB 2.215 33.942 31.823 -0.160 0.000 1.033 99 V HN 0.645 nan 8.190 nan 0.000 0.429 100 W N 1.522 122.707 121.300 -0.191 0.000 2.390 100 W HA 0.728 5.388 4.660 0.000 0.000 0.312 100 W C 0.135 176.582 176.519 -0.119 0.000 1.123 100 W CA -0.433 56.806 57.345 -0.176 0.000 1.202 100 W CB 1.638 30.911 29.460 -0.312 0.000 1.251 100 W HN 0.720 nan 8.180 nan 0.000 0.511 101 A N 3.508 126.499 122.820 0.285 0.000 2.318 101 A HA 0.503 4.823 4.320 0.000 0.000 0.317 101 A C -0.824 176.896 177.584 0.226 0.000 1.159 101 A CA -0.639 51.470 52.037 0.120 0.000 0.799 101 A CB 0.722 19.728 19.000 0.010 0.000 1.194 101 A HN 0.752 nan 8.150 nan 0.000 0.479 102 C N 2.167 121.538 119.300 0.119 0.000 2.644 102 C HA 0.561 5.021 4.460 0.000 0.000 0.417 102 C C 1.352 176.314 174.990 -0.047 0.000 1.304 102 C CA 0.821 59.850 59.018 0.018 0.000 2.035 102 C CB 0.196 27.927 27.740 -0.016 0.000 2.673 102 C HN 1.135 nan 8.230 nan 0.000 0.602 103 A N 3.348 126.125 122.820 -0.072 0.000 2.425 103 A HA 0.625 4.945 4.320 0.000 0.000 0.201 103 A C 0.507 178.161 177.584 0.117 0.000 1.431 103 A CA 0.647 52.720 52.037 0.060 0.000 1.066 103 A CB -0.085 19.011 19.000 0.160 0.000 1.318 103 A HN 1.450 nan 8.150 nan 0.000 0.534 104 G N -0.731 108.036 108.800 -0.055 0.000 2.742 104 G HA2 0.559 4.519 3.960 0.000 0.000 0.296 104 G HA3 0.559 4.519 3.960 0.000 0.000 0.296 104 G C -1.681 173.046 174.900 -0.287 0.000 1.436 104 G CA -0.266 44.817 45.100 -0.028 0.000 0.928 104 G HN 0.626 nan 8.290 nan 0.000 0.520 105 V N 0.196 119.865 119.914 -0.408 0.000 3.012 105 V HA 0.770 4.890 4.120 0.000 0.000 0.307 105 V C -0.840 174.972 176.094 -0.469 0.000 1.166 105 V CA -0.826 61.175 62.300 -0.498 0.000 0.974 105 V CB 2.302 33.889 31.823 -0.394 0.000 1.040 105 V HN 0.952 nan 8.190 nan 0.000 0.428 106 E N 2.662 122.551 120.200 -0.519 0.000 2.448 106 E HA 0.481 4.831 4.350 0.000 0.000 0.288 106 E C -1.868 174.537 176.600 -0.326 0.000 0.936 106 E CA -0.573 55.618 56.400 -0.349 0.000 0.809 106 E CB 1.237 30.737 29.700 -0.333 0.000 1.408 106 E HN 0.595 nan 8.360 nan 0.000 0.393 107 I N 3.403 123.874 120.570 -0.165 0.000 2.337 107 I HA 0.338 4.508 4.170 0.000 0.000 0.291 107 I C 0.862 176.877 176.117 -0.169 0.000 1.046 107 I CA 0.162 61.342 61.300 -0.199 0.000 1.324 107 I CB 1.461 39.361 38.000 -0.168 0.000 1.409 107 I HN 0.487 nan 8.210 nan 0.000 0.494 108 G N 6.390 115.066 108.800 -0.207 0.000 2.367 108 G HA2 0.628 4.588 3.960 0.000 0.000 0.314 108 G HA3 0.628 4.588 3.960 0.000 0.000 0.314 108 G C -0.322 174.423 174.900 -0.258 0.000 1.130 108 G CA -0.665 44.330 45.100 -0.175 0.000 0.864 108 G HN 0.333 nan 8.290 nan 0.000 0.486 109 R N 0.995 121.356 120.500 -0.231 0.000 2.562 109 R HA 0.477 4.817 4.340 0.000 0.000 0.298 109 R C 0.880 177.058 176.300 -0.203 0.000 0.961 109 R CA -0.382 55.520 56.100 -0.330 0.000 0.881 109 R CB 1.826 31.954 30.300 -0.287 0.000 1.159 109 R HN 0.610 nan 8.270 nan 0.000 0.450 110 G N 1.626 110.294 108.800 -0.220 0.000 2.583 110 G HA2 -0.071 3.889 3.960 0.000 0.000 0.215 110 G HA3 -0.071 3.889 3.960 0.000 0.000 0.215 110 G C -0.020 174.830 174.900 -0.082 0.000 1.481 110 G CA -0.009 45.016 45.100 -0.124 0.000 0.948 110 G HN 0.388 nan 8.290 nan 0.000 0.511 111 Q N 1.325 121.082 119.800 -0.071 0.000 2.560 111 Q HA 0.016 4.356 4.340 0.000 0.000 0.303 111 Q C -2.003 173.985 176.000 -0.021 0.000 1.230 111 Q CA -0.198 55.585 55.803 -0.033 0.000 1.023 111 Q CB -0.465 28.263 28.738 -0.017 0.000 1.317 111 Q HN 0.321 nan 8.270 nan 0.000 0.482 112 P HA 0.184 nan 4.420 nan 0.000 0.279 112 P C -0.477 176.832 177.300 0.016 0.000 1.252 112 P CA -0.619 62.484 63.100 0.005 0.000 0.811 112 P CB 0.627 32.332 31.700 0.008 0.000 1.035 113 L N 1.072 122.307 121.223 0.019 0.000 2.506 113 L HA 0.456 4.796 4.340 0.000 0.000 0.281 113 L C 1.368 178.256 176.870 0.031 0.000 1.228 113 L CA 1.670 56.527 54.840 0.028 0.000 0.850 113 L CB -0.677 41.399 42.059 0.028 0.000 1.110 113 L HN 0.761 nan 8.230 nan 0.000 0.496 114 G N 0.921 109.743 108.800 0.037 0.000 2.547 114 G HA2 0.564 4.524 3.960 0.000 0.000 0.291 114 G HA3 0.564 4.524 3.960 0.000 0.000 0.291 114 G C -1.691 173.234 174.900 0.041 0.000 1.471 114 G CA -0.168 44.954 45.100 0.037 0.000 0.798 114 G HN 0.648 nan 8.290 nan 0.000 0.504 115 V N -1.493 118.447 119.914 0.044 0.000 2.628 115 V HA 1.029 5.149 4.120 0.000 0.000 0.306 115 V C 0.344 176.467 176.094 0.048 0.000 1.045 115 V CA -0.197 62.139 62.300 0.059 0.000 0.905 115 V CB 1.462 33.323 31.823 0.063 0.000 0.997 115 V HN 1.755 nan 8.190 nan 0.000 0.436 116 G N 3.275 112.118 108.800 0.071 0.000 2.638 116 G HA2 0.673 4.633 3.960 0.000 0.000 0.302 116 G HA3 0.673 4.633 3.960 0.000 0.000 0.302 116 G C -1.240 173.704 174.900 0.072 0.000 1.365 116 G CA -0.989 44.145 45.100 0.056 0.000 0.987 116 G HN 0.853 nan 8.290 nan 0.000 0.495 117 L N 0.720 121.964 121.223 0.035 0.000 2.375 117 L HA 0.706 5.046 4.340 0.000 0.000 0.268 117 L C 0.226 177.092 176.870 -0.006 0.000 1.058 117 L CA -0.705 54.114 54.840 -0.035 0.000 0.803 117 L CB 1.886 43.921 42.059 -0.041 0.000 1.212 117 L HN 0.438 nan 8.230 nan 0.000 0.451 118 S N -0.208 115.365 115.700 -0.211 0.000 2.541 118 S HA 0.849 5.319 4.470 0.000 0.000 0.280 118 S C -0.143 174.255 174.600 -0.336 0.000 1.112 118 S CA -0.590 57.452 58.200 -0.264 0.000 0.925 118 S CB 2.175 65.161 63.200 -0.358 0.000 1.067 118 S HN 0.897 nan 8.310 nan 0.000 0.479 119 G N 0.818 109.384 108.800 -0.390 0.000 2.782 119 G HA2 0.662 4.622 3.960 0.000 0.000 0.304 119 G HA3 0.662 4.622 3.960 0.000 0.000 0.304 119 G C -2.029 172.756 174.900 -0.192 0.000 1.315 119 G CA -0.381 44.562 45.100 -0.261 0.000 0.791 119 G HN 0.641 nan 8.290 nan 0.000 0.519 120 H N -0.577 118.372 119.070 -0.202 0.000 3.026 120 H HA 0.382 4.938 4.556 0.000 0.000 0.352 120 H C -2.276 172.936 175.328 -0.194 0.000 1.090 120 H CA -1.284 54.678 56.048 -0.144 0.000 1.268 120 H CB 2.896 32.660 29.762 0.004 0.000 1.816 120 H HN 0.117 nan 8.280 nan 0.000 0.518 121 P HA 0.013 nan 4.420 nan 0.000 0.221 121 P C -0.090 176.935 177.300 -0.459 0.000 1.150 121 P CA 1.238 64.082 63.100 -0.427 0.000 0.800 121 P CB 0.141 31.365 31.700 -0.792 0.000 0.787 122 F N -2.906 117.262 119.950 0.363 0.000 2.679 122 F HA 0.264 4.791 4.527 0.000 0.000 0.354 122 F C 0.296 175.972 175.800 -0.208 0.000 1.423 122 F CA -1.295 56.734 58.000 0.050 0.000 1.141 122 F CB -0.087 38.939 39.000 0.044 0.000 1.168 122 F HN -0.189 nan 8.300 nan 0.000 0.530 123 Y N 1.945 122.133 120.300 -0.187 0.000 2.597 123 Y HA 0.027 4.577 4.550 0.000 0.000 0.336 123 Y C 0.776 176.539 175.900 -0.229 0.000 1.216 123 Y CA -0.173 57.743 58.100 -0.306 0.000 1.463 123 Y CB 0.510 38.821 38.460 -0.249 0.000 1.303 123 Y HN 0.262 nan 8.280 nan 0.000 0.576 124 N N 5.539 123.920 118.700 -0.532 0.000 2.968 124 N HA 0.060 4.800 4.740 0.000 0.000 0.271 124 N C -1.337 173.993 175.510 -0.301 0.000 1.174 124 N CA -0.164 52.673 53.050 -0.354 0.000 1.096 124 N CB -0.232 38.049 38.487 -0.344 0.000 1.403 124 N HN 0.551 nan 8.380 nan 0.000 0.522 125 K N 3.699 124.019 120.400 -0.133 0.000 2.389 125 K HA 0.133 4.453 4.320 0.000 0.000 0.261 125 K C 0.473 176.999 176.600 -0.124 0.000 1.014 125 K CA -0.604 55.590 56.287 -0.155 0.000 0.920 125 K CB 0.847 33.093 32.500 -0.422 0.000 1.149 125 K HN 0.254 nan 8.250 nan 0.000 0.444 126 L N 3.886 125.081 121.223 -0.047 0.000 1.961 126 L HA -0.061 4.279 4.340 0.000 0.000 0.210 126 L C -0.355 176.523 176.870 0.015 0.000 1.072 126 L CA 2.167 57.000 54.840 -0.012 0.000 0.749 126 L CB -0.149 41.917 42.059 0.012 0.000 0.889 126 L HN 0.923 nan 8.230 nan 0.000 0.432 127 D N -3.704 116.750 120.400 0.090 0.000 2.755 127 D HA 0.168 4.808 4.640 0.000 0.000 0.277 127 D C -1.508 174.993 176.300 0.336 0.000 1.261 127 D CA -0.662 53.428 54.000 0.149 0.000 0.759 127 D CB -0.026 40.846 40.800 0.119 0.000 1.279 127 D HN -0.007 nan 8.370 nan 0.000 0.420 128 D N -0.831 119.780 120.400 0.350 0.000 2.358 128 D HA 0.322 4.962 4.640 0.000 0.000 0.258 128 D C 0.741 177.214 176.300 0.288 0.000 1.223 128 D CA 0.147 54.391 54.000 0.406 0.000 0.886 128 D CB 0.759 41.739 40.800 0.300 0.000 1.120 128 D HN 0.454 nan 8.370 nan 0.000 0.482 129 T N -0.053 114.688 114.554 0.311 0.000 3.129 129 T HA 0.085 4.435 4.350 0.000 0.000 0.267 129 T C 1.213 176.038 174.700 0.209 0.000 1.018 129 T CA -0.380 61.872 62.100 0.253 0.000 0.903 129 T CB 0.106 69.173 68.868 0.332 0.000 1.067 129 T HN 0.511 nan 8.240 nan 0.000 0.549 130 E N 2.058 122.367 120.200 0.183 0.000 2.216 130 E HA -0.044 4.306 4.350 0.000 0.000 0.192 130 E C 0.447 177.076 176.600 0.049 0.000 0.988 130 E CA 1.081 57.555 56.400 0.122 0.000 0.834 130 E CB 0.211 29.760 29.700 -0.251 0.000 0.772 130 E HN 0.642 nan 8.360 nan 0.000 0.479 131 S N -0.223 115.503 115.700 0.044 0.000 3.595 131 S HA -0.009 4.461 4.470 0.000 0.000 0.122 131 S C -0.375 174.235 174.600 0.017 0.000 0.849 131 S CA -0.123 58.083 58.200 0.010 0.000 0.827 131 S CB -1.080 62.095 63.200 -0.041 0.000 1.236 131 S HN 0.211 nan 8.310 nan 0.000 0.681 132 S N 1.455 117.198 115.700 0.071 0.000 2.715 132 S HA -0.024 4.446 4.470 0.000 0.000 0.318 132 S C 1.113 175.764 174.600 0.086 0.000 1.242 132 S CA 0.036 58.296 58.200 0.100 0.000 1.044 132 S CB -0.092 63.179 63.200 0.119 0.000 0.760 132 S HN 0.503 nan 8.310 nan 0.000 0.501 133 H N 2.771 121.871 119.070 0.049 0.000 2.431 133 H HA -0.126 4.430 4.556 0.000 0.000 0.297 133 H C 1.196 176.544 175.328 0.034 0.000 1.115 133 H CA 1.880 57.950 56.048 0.036 0.000 1.277 133 H CB -0.101 29.681 29.762 0.033 0.000 1.372 133 H HN 0.905 nan 8.280 nan 0.000 0.516 134 A N -1.142 121.777 122.820 0.166 0.000 5.534 134 A HA 0.565 4.885 4.320 0.000 0.000 0.112 134 A C -0.626 177.011 177.584 0.088 0.000 1.126 134 A CA 0.104 52.206 52.037 0.108 0.000 1.849 134 A CB -0.574 18.488 19.000 0.102 0.000 2.644 134 A HN 0.338 nan 8.150 nan 0.000 1.204 135 A N -0.426 122.435 122.820 0.069 0.000 2.310 135 A HA 0.665 4.985 4.320 0.000 0.000 0.260 135 A C 0.663 178.283 177.584 0.061 0.000 1.112 135 A CA 0.984 53.056 52.037 0.058 0.000 0.804 135 A CB -0.403 18.622 19.000 0.041 0.000 1.081 135 A HN 2.199 nan 8.150 nan 0.000 0.499 136 T N -2.233 112.353 114.554 0.052 0.000 2.831 136 T HA 0.632 4.982 4.350 0.000 0.000 0.287 136 T C 0.239 174.958 174.700 0.033 0.000 1.070 136 T CA 0.001 62.132 62.100 0.051 0.000 1.010 136 T CB 0.407 69.314 68.868 0.065 0.000 1.264 136 T HN 1.531 nan 8.240 nan 0.000 0.532 137 S N 1.058 116.775 115.700 0.027 0.000 2.560 137 S HA 0.097 4.567 4.470 0.000 0.000 0.276 137 S C 0.274 174.879 174.600 0.009 0.000 1.350 137 S CA -0.538 57.671 58.200 0.015 0.000 1.024 137 S CB -0.520 62.686 63.200 0.010 0.000 0.864 137 S HN 0.982 nan 8.310 nan 0.000 0.536 138 N N 0.244 118.946 118.700 0.003 0.000 2.492 138 N HA 0.064 4.804 4.740 0.000 0.000 0.260 138 N C -0.173 175.332 175.510 -0.008 0.000 1.215 138 N CA -0.399 52.649 53.050 -0.002 0.000 0.923 138 N CB 0.449 38.934 38.487 -0.004 0.000 1.092 138 N HN 0.480 nan 8.380 nan 0.000 0.448 139 V N 3.332 123.239 119.914 -0.011 0.000 2.159 139 V HA -0.012 4.108 4.120 0.000 0.000 0.296 139 V C 1.622 177.703 176.094 -0.022 0.000 1.762 139 V CA 0.385 62.674 62.300 -0.019 0.000 1.708 139 V CB -1.858 29.952 31.823 -0.022 0.000 1.484 139 V HN 0.799 nan 8.190 nan 0.000 0.512 140 S N 1.103 116.791 115.700 -0.021 0.000 2.396 140 S HA -0.111 4.359 4.470 0.000 0.000 0.204 140 S C 1.375 175.957 174.600 -0.030 0.000 1.060 140 S CA 1.438 59.625 58.200 -0.022 0.000 1.098 140 S CB 0.133 63.321 63.200 -0.020 0.000 1.022 140 S HN 0.682 nan 8.310 nan 0.000 0.413 141 E N -0.074 120.105 120.200 -0.035 0.000 3.968 141 E HA 0.138 4.488 4.350 0.000 0.000 0.219 141 E C -1.131 175.436 176.600 -0.055 0.000 1.310 141 E CA -0.011 56.362 56.400 -0.044 0.000 1.622 141 E CB 0.436 30.110 29.700 -0.044 0.000 1.730 141 E HN 0.376 nan 8.360 nan 0.000 0.629 142 D N 0.954 121.321 120.400 -0.055 0.000 2.460 142 D HA 0.259 4.899 4.640 0.000 0.000 0.232 142 D C -0.309 175.965 176.300 -0.045 0.000 1.079 142 D CA -0.176 53.784 54.000 -0.066 0.000 0.864 142 D CB 1.770 42.516 40.800 -0.089 0.000 1.048 142 D HN 0.033 nan 8.370 nan 0.000 0.523 143 V N 3.800 123.689 119.914 -0.041 0.000 3.276 143 V HA 0.235 4.355 4.120 0.000 0.000 0.319 143 V C 0.997 177.078 176.094 -0.022 0.000 1.427 143 V CA -0.388 61.896 62.300 -0.027 0.000 1.102 143 V CB -0.505 31.301 31.823 -0.028 0.000 1.020 143 V HN 0.322 nan 8.190 nan 0.000 0.456 144 R N 1.989 122.481 120.500 -0.014 0.000 2.484 144 R HA 0.217 4.557 4.340 0.000 0.000 0.293 144 R C -0.591 175.752 176.300 0.071 0.000 1.023 144 R CA 0.330 56.442 56.100 0.021 0.000 1.037 144 R CB 0.328 30.659 30.300 0.051 0.000 0.951 144 R HN 0.350 nan 8.270 nan 0.000 0.418 145 D N 0.871 121.285 120.400 0.024 0.000 2.392 145 D HA 0.100 4.740 4.640 0.000 0.000 0.246 145 D C -0.460 175.827 176.300 -0.020 0.000 1.013 145 D CA -0.608 53.390 54.000 -0.004 0.000 0.993 145 D CB 1.060 41.814 40.800 -0.077 0.000 1.219 145 D HN 0.334 nan 8.370 nan 0.000 0.538 146 N N 1.026 119.688 118.700 -0.062 0.000 2.414 146 N HA 0.272 5.012 4.740 0.000 0.000 0.256 146 N C -0.923 174.499 175.510 -0.147 0.000 1.029 146 N CA -0.203 52.783 53.050 -0.105 0.000 0.948 146 N CB 0.636 39.052 38.487 -0.119 0.000 1.102 146 N HN 0.260 nan 8.380 nan 0.000 0.496 147 V N 0.774 120.569 119.914 -0.198 0.000 3.130 147 V HA 0.869 4.989 4.120 0.000 0.000 0.310 147 V C -0.244 175.690 176.094 -0.268 0.000 1.158 147 V CA -0.827 61.303 62.300 -0.283 0.000 1.029 147 V CB 1.450 32.960 31.823 -0.522 0.000 1.057 147 V HN 0.694 nan 8.190 nan 0.000 0.436 148 S N 1.070 116.638 115.700 -0.220 0.000 2.697 148 S HA 0.965 5.435 4.470 0.000 0.000 0.289 148 S C -0.950 173.550 174.600 -0.167 0.000 1.149 148 S CA -0.309 57.773 58.200 -0.198 0.000 0.850 148 S CB 1.745 64.856 63.200 -0.148 0.000 1.151 148 S HN 2.405 nan 8.310 nan 0.000 0.491 149 V N 1.344 121.134 119.914 -0.206 0.000 3.036 149 V HA 0.381 4.501 4.120 0.000 0.000 0.280 149 V C -2.181 173.718 176.094 -0.326 0.000 1.497 149 V CA -0.634 61.553 62.300 -0.187 0.000 0.982 149 V CB 2.057 33.822 31.823 -0.097 0.000 1.171 149 V HN 1.236 nan 8.190 nan 0.000 0.444 150 D N 5.394 125.665 120.400 -0.215 0.000 2.312 150 D HA 0.273 4.913 4.640 0.000 0.000 0.252 150 D C -0.068 176.131 176.300 -0.169 0.000 1.150 150 D CA 0.047 53.934 54.000 -0.189 0.000 0.870 150 D CB 0.691 41.469 40.800 -0.036 0.000 1.153 150 D HN 0.538 nan 8.370 nan 0.000 0.457 151 Y N 0.487 120.725 120.300 -0.103 0.000 2.158 151 Y HA 0.017 4.567 4.550 0.000 0.000 0.365 151 Y C 1.699 177.601 175.900 0.004 0.000 1.301 151 Y CA -0.691 57.322 58.100 -0.145 0.000 1.735 151 Y CB 0.550 38.695 38.460 -0.525 0.000 1.509 151 Y HN 0.302 nan 8.280 nan 0.000 0.657 152 K N 1.376 121.920 120.400 0.241 0.000 2.319 152 K HA 0.006 4.326 4.320 0.000 0.000 0.265 152 K C -0.668 176.091 176.600 0.266 0.000 1.000 152 K CA -0.446 55.947 56.287 0.176 0.000 0.943 152 K CB 0.586 33.160 32.500 0.123 0.000 0.950 152 K HN 0.683 nan 8.250 nan 0.000 0.485 153 Q N 2.577 122.500 119.800 0.206 0.000 2.340 153 Q HA 0.215 4.555 4.340 0.000 0.000 0.259 153 Q C -1.405 174.694 176.000 0.166 0.000 0.964 153 Q CA -0.418 55.506 55.803 0.202 0.000 0.900 153 Q CB 1.373 30.205 28.738 0.156 0.000 1.228 153 Q HN 0.689 nan 8.270 nan 0.000 0.449 154 T N 3.431 118.086 114.554 0.169 0.000 2.906 154 T HA 0.516 4.866 4.350 0.000 0.000 0.295 154 T C -1.109 173.664 174.700 0.122 0.000 1.075 154 T CA -0.753 61.434 62.100 0.145 0.000 1.005 154 T CB 1.819 70.787 68.868 0.167 0.000 1.136 154 T HN 0.585 nan 8.240 nan 0.000 0.498 155 Q N 1.324 121.189 119.800 0.108 0.000 2.313 155 Q HA 0.590 4.930 4.340 0.000 0.000 0.255 155 Q C -1.714 174.346 176.000 0.100 0.000 0.944 155 Q CA -0.804 55.065 55.803 0.109 0.000 0.881 155 Q CB 2.442 31.164 28.738 -0.028 0.000 1.375 155 Q HN 0.660 nan 8.270 nan 0.000 0.422 156 L N -0.869 120.476 121.223 0.203 0.000 2.540 156 L HA 0.981 5.322 4.340 0.000 0.000 0.256 156 L C -1.652 175.399 176.870 0.303 0.000 1.001 156 L CA -0.708 54.245 54.840 0.188 0.000 0.843 156 L CB 2.388 44.568 42.059 0.202 0.000 1.436 156 L HN 0.709 nan 8.230 nan 0.000 0.410 157 C N 3.443 122.889 119.300 0.243 0.000 2.716 157 C HA 0.812 5.272 4.460 0.000 0.000 0.366 157 C C -1.209 173.924 174.990 0.239 0.000 1.073 157 C CA -0.356 58.852 59.018 0.316 0.000 1.260 157 C CB 0.355 28.365 27.740 0.450 0.000 1.755 157 C HN 0.804 nan 8.230 nan 0.000 0.475 158 I N 6.528 127.236 120.570 0.231 0.000 2.466 158 I HA 0.473 4.643 4.170 0.000 0.000 0.289 158 I C -0.661 175.566 176.117 0.183 0.000 1.026 158 I CA -0.548 60.857 61.300 0.175 0.000 1.078 158 I CB 1.655 39.698 38.000 0.072 0.000 1.249 158 I HN 0.518 nan 8.210 nan 0.000 0.429 159 L N 4.873 126.216 121.223 0.200 0.000 2.334 159 L HA 0.933 5.273 4.340 0.000 0.000 0.276 159 L C 0.246 176.889 176.870 -0.379 0.000 1.014 159 L CA -0.365 54.540 54.840 0.109 0.000 0.815 159 L CB 2.189 44.458 42.059 0.349 0.000 1.268 159 L HN 0.845 nan 8.230 nan 0.000 0.428 160 G N -0.176 108.346 108.800 -0.463 0.000 2.451 160 G HA2 0.305 4.265 3.960 0.000 0.000 0.292 160 G HA3 0.305 4.265 3.960 0.000 0.000 0.292 160 G C -0.577 174.216 174.900 -0.179 0.000 1.427 160 G CA -0.298 44.294 45.100 -0.848 0.000 0.792 160 G HN 0.730 nan 8.290 nan 0.000 0.498 161 C N -0.723 118.569 119.300 -0.014 0.000 2.492 161 C HA 0.803 5.263 4.460 0.000 0.000 0.317 161 C C 0.805 175.896 174.990 0.169 0.000 1.347 161 C CA -0.264 58.922 59.018 0.280 0.000 1.759 161 C CB -1.606 26.370 27.740 0.394 0.000 2.127 161 C HN 1.738 nan 8.230 nan 0.000 0.579 162 A N 1.236 123.925 122.820 -0.218 0.000 2.555 162 A HA 0.788 5.108 4.320 0.000 0.000 0.297 162 A C -2.932 173.992 177.584 -1.101 0.000 1.060 162 A CA -0.862 50.766 52.037 -0.682 0.000 0.710 162 A CB 0.867 19.725 19.000 -0.237 0.000 1.282 162 A HN 0.171 nan 8.150 nan 0.000 0.399 163 P HA 0.234 nan 4.420 nan 0.000 0.267 163 P C 0.241 177.234 177.300 -0.511 0.000 1.195 163 P CA 0.580 63.027 63.100 -1.089 0.000 0.773 163 P CB 0.578 31.789 31.700 -0.817 0.000 0.837 164 A N 2.752 125.377 122.820 -0.326 0.000 2.304 164 A HA 0.521 4.841 4.320 0.000 0.000 0.271 164 A C 0.300 177.745 177.584 -0.232 0.000 1.091 164 A CA -0.667 51.221 52.037 -0.248 0.000 0.812 164 A CB -0.107 18.766 19.000 -0.211 0.000 1.056 164 A HN 0.483 nan 8.150 nan 0.000 0.489 165 I N 0.813 121.252 120.570 -0.219 0.000 2.377 165 I HA 0.542 4.712 4.170 0.000 0.000 0.293 165 I C 0.799 176.777 176.117 -0.231 0.000 0.987 165 I CA -0.023 61.162 61.300 -0.192 0.000 1.185 165 I CB 1.949 39.863 38.000 -0.143 0.000 1.341 165 I HN 0.680 nan 8.210 nan 0.000 0.455 166 G N 4.193 112.871 108.800 -0.202 0.000 2.537 166 G HA2 0.738 4.698 3.960 0.000 0.000 0.308 166 G HA3 0.738 4.698 3.960 0.000 0.000 0.308 166 G C -1.326 173.526 174.900 -0.080 0.000 1.237 166 G CA -0.448 44.541 45.100 -0.186 0.000 0.968 166 G HN 0.678 nan 8.290 nan 0.000 0.481 167 E N -0.582 119.603 120.200 -0.025 0.000 2.359 167 E HA 0.716 5.066 4.350 0.000 0.000 0.266 167 E C -1.218 175.417 176.600 0.058 0.000 0.920 167 E CA -1.009 55.370 56.400 -0.034 0.000 0.788 167 E CB 2.468 32.098 29.700 -0.116 0.000 1.279 167 E HN 0.753 nan 8.360 nan 0.000 0.438 168 H N -0.547 118.365 119.070 -0.264 0.000 2.987 168 H HA 0.242 4.798 4.556 0.000 0.000 0.316 168 H C -1.987 173.093 175.328 -0.413 0.000 1.380 168 H CA -1.179 54.723 56.048 -0.242 0.000 1.160 168 H CB 0.055 29.778 29.762 -0.065 0.000 1.865 168 H HN 0.663 nan 8.280 nan 0.000 0.521 169 W N 1.040 122.280 121.300 -0.101 0.000 2.417 169 W HA 0.715 5.375 4.660 0.000 0.000 0.317 169 W C -0.040 176.371 176.519 -0.179 0.000 1.121 169 W CA -0.014 57.227 57.345 -0.173 0.000 1.208 169 W CB 1.824 31.229 29.460 -0.092 0.000 1.253 169 W HN 0.871 nan 8.180 nan 0.000 0.533 170 A N 2.402 125.249 122.820 0.045 0.000 2.569 170 A HA 0.562 4.882 4.320 0.000 0.000 0.290 170 A C -1.110 176.508 177.584 0.057 0.000 1.136 170 A CA -1.174 50.880 52.037 0.028 0.000 0.710 170 A CB 1.403 20.373 19.000 -0.050 0.000 1.303 170 A HN 0.563 nan 8.150 nan 0.000 0.413 171 K N 0.714 121.139 120.400 0.043 0.000 2.451 171 K HA 0.320 4.640 4.320 0.000 0.000 0.280 171 K C 0.586 177.203 176.600 0.029 0.000 1.020 171 K CA 0.567 56.874 56.287 0.034 0.000 1.008 171 K CB 0.245 32.761 32.500 0.026 0.000 0.917 171 K HN 0.884 nan 8.250 nan 0.000 0.478 172 G N 2.378 111.197 108.800 0.031 0.000 2.539 172 G HA2 0.069 4.029 3.960 0.000 0.000 0.258 172 G HA3 0.069 4.029 3.960 0.000 0.000 0.258 172 G C -0.632 174.277 174.900 0.016 0.000 1.202 172 G CA -0.623 44.493 45.100 0.026 0.000 0.851 172 G HN 0.652 nan 8.290 nan 0.000 0.556 173 T N 1.294 115.855 114.554 0.011 0.000 2.793 173 T HA 0.349 4.699 4.350 0.000 0.000 0.289 173 T C 0.904 175.608 174.700 0.007 0.000 0.956 173 T CA 0.338 62.442 62.100 0.007 0.000 1.177 173 T CB 0.594 69.465 68.868 0.004 0.000 0.897 173 T HN 0.815 nan 8.240 nan 0.000 0.533 174 A N 4.732 127.556 122.820 0.006 0.000 2.513 174 A HA 0.357 4.677 4.320 0.000 0.000 0.274 174 A C 1.059 178.644 177.584 0.003 0.000 1.115 174 A CA -0.620 51.419 52.037 0.004 0.000 0.792 174 A CB -0.380 18.622 19.000 0.004 0.000 1.053 174 A HN 0.917 nan 8.150 nan 0.000 0.515 175 S N 2.683 118.385 115.700 0.003 0.000 2.533 175 S HA 0.135 4.605 4.470 0.000 0.000 0.282 175 S C 1.059 175.659 174.600 0.001 0.000 1.304 175 S CA 0.051 58.252 58.200 0.002 0.000 1.063 175 S CB 0.863 64.064 63.200 0.002 0.000 0.881 175 S HN 0.795 nan 8.310 nan 0.000 0.493 176 K N 2.343 122.744 120.400 0.001 0.000 2.147 176 K HA -0.137 4.183 4.320 0.000 0.000 0.205 176 K C 2.056 178.655 176.600 -0.000 0.000 1.049 176 K CA 1.534 57.821 56.287 0.000 0.000 0.936 176 K CB -0.660 31.840 32.500 -0.000 0.000 0.722 176 K HN 0.717 nan 8.250 nan 0.000 0.446 177 S N 0.662 116.362 115.700 -0.000 0.000 2.348 177 S HA -0.102 4.368 4.470 0.000 0.000 0.221 177 S C 1.335 175.935 174.600 -0.001 0.000 1.033 177 S CA 0.366 58.566 58.200 -0.000 0.000 1.010 177 S CB -0.162 63.038 63.200 0.000 0.000 0.891 177 S HN 0.194 nan 8.310 nan 0.000 0.442 178 R N 2.734 123.234 120.500 -0.000 0.000 2.363 178 R HA 0.445 4.785 4.340 0.000 0.000 0.297 178 R C -2.918 173.382 176.300 -0.001 0.000 1.208 178 R CA -2.330 53.770 56.100 -0.001 0.000 1.121 178 R CB 1.026 31.326 30.300 -0.001 0.000 1.124 178 R HN 0.393 nan 8.270 nan 0.000 0.561 179 P HA -0.012 nan 4.420 nan 0.000 0.270 179 P C -0.464 176.835 177.300 -0.002 0.000 1.227 179 P CA -0.538 62.561 63.100 -0.001 0.000 0.788 179 P CB 0.996 32.695 31.700 -0.001 0.000 0.926 180 L N 1.815 123.037 121.223 -0.002 0.000 2.297 180 L HA 0.171 4.511 4.340 0.000 0.000 0.277 180 L C 0.384 177.252 176.870 -0.003 0.000 1.040 180 L CA -0.162 54.676 54.840 -0.002 0.000 0.867 180 L CB -0.206 41.852 42.059 -0.002 0.000 1.244 180 L HN 0.398 nan 8.230 nan 0.000 0.433 181 S N 2.318 118.016 115.700 -0.004 0.000 2.558 181 S HA 0.073 4.543 4.470 0.000 0.000 0.293 181 S C 0.253 174.849 174.600 -0.005 0.000 1.292 181 S CA -0.509 57.688 58.200 -0.005 0.000 1.063 181 S CB 0.395 63.591 63.200 -0.005 0.000 0.831 181 S HN 0.588 nan 8.310 nan 0.000 0.499 182 Q N 1.927 121.724 119.800 -0.006 0.000 2.304 182 Q HA 0.372 4.712 4.340 0.000 0.000 0.301 182 Q C 1.429 177.424 176.000 -0.008 0.000 1.063 182 Q CA 1.731 57.530 55.803 -0.006 0.000 0.947 182 Q CB -0.056 28.678 28.738 -0.007 0.000 1.201 182 Q HN 1.428 nan 8.270 nan 0.000 0.389 183 G N 3.438 112.233 108.800 -0.009 0.000 2.308 183 G HA2 -0.258 3.702 3.960 0.000 0.000 0.221 183 G HA3 -0.258 3.702 3.960 0.000 0.000 0.221 183 G C -0.067 174.826 174.900 -0.012 0.000 1.032 183 G CA 0.035 45.128 45.100 -0.012 0.000 0.623 183 G HN 0.654 nan 8.290 nan 0.000 0.506 184 D N 0.402 120.796 120.400 -0.011 0.000 2.382 184 D HA 0.443 5.083 4.640 0.000 0.000 0.240 184 D C 0.939 177.231 176.300 -0.013 0.000 1.146 184 D CA 0.444 54.437 54.000 -0.012 0.000 0.897 184 D CB 0.986 41.781 40.800 -0.010 0.000 1.197 184 D HN 0.552 nan 8.370 nan 0.000 0.432 185 C N 3.811 123.102 119.300 -0.016 0.000 2.593 185 C HA 0.434 4.894 4.460 0.000 0.000 0.409 185 C C -1.941 173.039 174.990 -0.016 0.000 1.304 185 C CA -1.263 57.744 59.018 -0.019 0.000 2.007 185 C CB -0.430 27.295 27.740 -0.026 0.000 2.614 185 C HN 0.478 nan 8.230 nan 0.000 0.585 186 P HA 0.440 nan 4.420 nan 0.000 0.278 186 P C -2.834 174.458 177.300 -0.012 0.000 1.266 186 P CA -1.153 61.942 63.100 -0.008 0.000 0.807 186 P CB 0.524 32.223 31.700 -0.002 0.000 1.094 187 P HA 0.251 nan 4.420 nan 0.000 0.288 187 P C -0.702 176.610 177.300 0.019 0.000 1.267 187 P CA -0.284 62.815 63.100 -0.001 0.000 0.815 187 P CB 0.813 32.518 31.700 0.009 0.000 0.989 188 L N 2.191 123.423 121.223 0.015 0.000 2.312 188 L HA 0.445 4.785 4.340 0.000 0.000 0.281 188 L C 0.753 177.774 176.870 0.251 0.000 1.070 188 L CA -0.025 54.873 54.840 0.096 0.000 0.805 188 L CB 0.448 42.456 42.059 -0.084 0.000 1.174 188 L HN 0.582 nan 8.230 nan 0.000 0.434 189 E N 2.489 122.873 120.200 0.307 0.000 2.224 189 E HA 0.329 4.679 4.350 0.000 0.000 0.265 189 E C -1.389 175.239 176.600 0.046 0.000 0.878 189 E CA -0.923 55.604 56.400 0.212 0.000 0.759 189 E CB 2.348 32.082 29.700 0.056 0.000 1.164 189 E HN 0.393 nan 8.360 nan 0.000 0.414 190 L N 4.303 125.381 121.223 -0.241 0.000 2.360 190 L HA 0.299 4.639 4.340 0.000 0.000 0.276 190 L C -0.812 175.765 176.870 -0.488 0.000 1.121 190 L CA 0.559 54.869 54.840 -0.882 0.000 0.845 190 L CB 0.366 41.848 42.059 -0.961 0.000 1.143 190 L HN 0.454 nan 8.230 nan 0.000 0.452 191 K N 4.225 124.291 120.400 -0.557 0.000 2.376 191 K HA 0.409 4.729 4.320 0.000 0.000 0.257 191 K C -0.935 175.526 176.600 -0.232 0.000 0.939 191 K CA -0.855 55.214 56.287 -0.362 0.000 0.809 191 K CB 1.262 33.525 32.500 -0.395 0.000 1.121 191 K HN 0.583 nan 8.250 nan 0.000 0.425 192 N N 1.212 119.831 118.700 -0.136 0.000 2.524 192 N HA 0.298 5.038 4.740 0.000 0.000 0.283 192 N C -0.419 175.072 175.510 -0.033 0.000 1.142 192 N CA 0.152 53.154 53.050 -0.081 0.000 0.984 192 N CB 1.839 40.278 38.487 -0.080 0.000 1.155 192 N HN 0.556 nan 8.380 nan 0.000 0.467 193 T N -0.860 113.676 114.554 -0.031 0.000 2.827 193 T HA 0.256 4.606 4.350 0.000 0.000 0.328 193 T C -1.190 173.467 174.700 -0.072 0.000 1.598 193 T CA -0.598 61.485 62.100 -0.028 0.000 1.043 193 T CB 0.597 69.472 68.868 0.012 0.000 1.447 193 T HN 0.027 nan 8.240 nan 0.000 0.491 194 V N 3.770 123.643 119.914 -0.067 0.000 2.686 194 V HA 0.362 4.482 4.120 0.000 0.000 0.295 194 V C 0.436 176.458 176.094 -0.121 0.000 1.055 194 V CA -0.397 61.850 62.300 -0.088 0.000 1.050 194 V CB 0.987 32.788 31.823 -0.037 0.000 0.984 194 V HN 0.703 nan 8.190 nan 0.000 0.482 195 L N 5.397 126.521 121.223 -0.164 0.000 2.295 195 L HA 0.338 4.678 4.340 0.000 0.000 0.288 195 L C 0.464 177.295 176.870 -0.064 0.000 1.079 195 L CA -0.002 54.693 54.840 -0.241 0.000 0.830 195 L CB 0.239 42.033 42.059 -0.441 0.000 1.200 195 L HN 0.727 nan 8.230 nan 0.000 0.438 196 E N 1.454 121.617 120.200 -0.061 0.000 2.280 196 E HA 0.186 4.536 4.350 0.000 0.000 0.264 196 E C -0.854 175.776 176.600 0.051 0.000 1.064 196 E CA -0.917 55.480 56.400 -0.005 0.000 0.900 196 E CB 1.135 30.742 29.700 -0.155 0.000 1.123 196 E HN 0.385 nan 8.360 nan 0.000 0.418 197 D N -0.718 119.745 120.400 0.104 0.000 2.424 197 D HA 0.239 4.879 4.640 0.000 0.000 0.244 197 D C 0.824 177.158 176.300 0.058 0.000 1.134 197 D CA 1.655 55.712 54.000 0.094 0.000 0.881 197 D CB 0.460 41.327 40.800 0.111 0.000 1.191 197 D HN 0.564 nan 8.370 nan 0.000 0.445 198 G N 3.282 112.138 108.800 0.093 0.000 2.254 198 G HA2 -0.230 3.730 3.960 0.000 0.000 0.225 198 G HA3 -0.230 3.730 3.960 0.000 0.000 0.225 198 G C 0.088 175.062 174.900 0.124 0.000 1.003 198 G CA 0.018 45.171 45.100 0.088 0.000 0.622 198 G HN 0.635 nan 8.290 nan 0.000 0.507 199 D N 1.848 122.332 120.400 0.139 0.000 2.400 199 D HA 0.385 5.025 4.640 0.000 0.000 0.238 199 D C 1.197 177.677 176.300 0.301 0.000 1.157 199 D CA 0.404 54.503 54.000 0.165 0.000 0.889 199 D CB 0.407 41.254 40.800 0.078 0.000 1.199 199 D HN 0.138 nan 8.370 nan 0.000 0.436 200 M N 1.137 120.884 119.600 0.246 0.000 2.342 200 M HA 0.231 4.711 4.480 0.000 0.000 0.332 200 M C 0.291 176.763 176.300 0.286 0.000 1.166 200 M CA -0.891 54.544 55.300 0.226 0.000 1.086 200 M CB 1.218 33.914 32.600 0.161 0.000 1.541 200 M HN 0.163 nan 8.290 nan 0.000 0.462 201 V N -0.941 119.050 119.914 0.129 0.000 3.234 201 V HA 0.476 4.596 4.120 0.000 0.000 0.317 201 V C -0.209 175.981 176.094 0.161 0.000 1.081 201 V CA -1.050 61.311 62.300 0.101 0.000 1.037 201 V CB 1.110 32.833 31.823 -0.167 0.000 1.148 201 V HN 0.851 nan 8.190 nan 0.000 0.453 202 D N 1.059 121.597 120.400 0.229 0.000 2.417 202 D HA 0.211 4.851 4.640 0.000 0.000 0.250 202 D C 1.121 177.472 176.300 0.084 0.000 1.166 202 D CA 0.776 54.887 54.000 0.185 0.000 0.881 202 D CB 1.236 42.136 40.800 0.166 0.000 1.164 202 D HN 0.963 nan 8.370 nan 0.000 0.467 203 T N 0.625 115.170 114.554 -0.016 0.000 3.054 203 T HA 0.388 4.738 4.350 0.000 0.000 0.255 203 T C 1.343 176.043 174.700 -0.001 0.000 1.035 203 T CA 0.107 62.081 62.100 -0.210 0.000 0.941 203 T CB 0.322 68.611 68.868 -0.965 0.000 1.026 203 T HN 0.692 nan 8.240 nan 0.000 0.533 204 G N 0.559 109.389 108.800 0.050 0.000 2.192 204 G HA2 -0.198 3.762 3.960 0.000 0.000 0.193 204 G HA3 -0.198 3.762 3.960 0.000 0.000 0.193 204 G C 0.137 174.970 174.900 -0.111 0.000 0.999 204 G CA -0.180 44.903 45.100 -0.028 0.000 0.659 204 G HN 0.516 nan 8.290 nan 0.000 0.503 205 Y N 1.186 121.567 120.300 0.135 0.000 2.555 205 Y HA 0.465 5.015 4.550 0.000 0.000 0.259 205 Y C 1.564 177.650 175.900 0.310 0.000 1.179 205 Y CA 0.746 58.979 58.100 0.222 0.000 1.230 205 Y CB 0.961 39.541 38.460 0.200 0.000 1.146 205 Y HN 1.065 nan 8.280 nan 0.000 0.526 206 G N 0.817 109.805 108.800 0.313 0.000 2.730 206 G HA2 0.064 4.024 3.960 0.000 0.000 0.686 206 G HA3 0.064 4.024 3.960 0.000 0.000 0.686 206 G C -0.648 174.437 174.900 0.308 0.000 1.343 206 G CA -0.648 44.605 45.100 0.255 0.000 0.826 206 G HN 0.535 nan 8.290 nan 0.000 0.582 207 A N 1.219 124.193 122.820 0.257 0.000 2.582 207 A HA 0.791 5.111 4.320 0.000 0.000 0.336 207 A C 0.516 178.242 177.584 0.236 0.000 1.445 207 A CA 0.832 53.028 52.037 0.265 0.000 0.997 207 A CB -0.553 18.608 19.000 0.267 0.000 1.148 207 A HN 1.930 nan 8.150 nan 0.000 0.514 208 M N -0.294 119.316 119.600 0.017 0.000 2.755 208 M HA 0.562 5.042 4.480 0.000 0.000 0.273 208 M C -1.330 174.817 176.300 -0.255 0.000 1.278 208 M CA -0.863 54.385 55.300 -0.087 0.000 0.819 208 M CB 1.445 33.895 32.600 -0.249 0.000 1.694 208 M HN 0.177 nan 8.290 nan 0.000 0.460 209 D N 0.830 121.185 120.400 -0.074 0.000 2.563 209 D HA 0.317 4.957 4.640 0.000 0.000 0.222 209 D C 0.041 176.296 176.300 -0.075 0.000 1.145 209 D CA -0.284 53.715 54.000 -0.002 0.000 1.001 209 D CB -0.388 40.494 40.800 0.137 0.000 1.049 209 D HN 0.543 nan 8.370 nan 0.000 0.515 210 F N 0.874 120.883 119.950 0.098 0.000 2.346 210 F HA -0.202 4.325 4.527 0.000 0.000 0.301 210 F C 2.652 178.483 175.800 0.051 0.000 1.070 210 F CA 1.007 59.046 58.000 0.066 0.000 1.407 210 F CB -0.412 38.614 39.000 0.044 0.000 1.072 210 F HN 0.330 nan 8.300 nan 0.000 0.543 211 S N -1.194 114.626 115.700 0.200 0.000 2.461 211 S HA -0.109 4.361 4.470 0.000 0.000 0.228 211 S C 1.798 176.451 174.600 0.088 0.000 1.005 211 S CA 1.140 59.420 58.200 0.133 0.000 0.942 211 S CB -0.842 62.424 63.200 0.109 0.000 0.776 211 S HN 0.457 nan 8.310 nan 0.000 0.514 212 T N -2.089 112.509 114.554 0.074 0.000 2.971 212 T HA 0.388 4.738 4.350 0.000 0.000 0.252 212 T C 1.215 175.937 174.700 0.037 0.000 1.022 212 T CA -0.182 61.948 62.100 0.051 0.000 0.980 212 T CB -0.086 68.811 68.868 0.049 0.000 1.044 212 T HN 0.215 nan 8.240 nan 0.000 0.501 213 L N 0.629 121.871 121.223 0.031 0.000 2.556 213 L HA 0.463 4.803 4.340 0.000 0.000 0.226 213 L C 0.509 177.397 176.870 0.030 0.000 1.089 213 L CA 0.746 55.594 54.840 0.013 0.000 0.864 213 L CB 0.016 42.059 42.059 -0.027 0.000 1.067 213 L HN 0.328 nan 8.230 nan 0.000 0.477 214 Q N -0.634 119.204 119.800 0.064 0.000 2.347 214 Q HA 0.183 4.523 4.340 0.000 0.000 0.265 214 Q C -0.295 175.734 176.000 0.047 0.000 1.024 214 Q CA -0.309 55.532 55.803 0.064 0.000 0.731 214 Q CB 1.529 30.337 28.738 0.117 0.000 1.245 214 Q HN -0.012 nan 8.270 nan 0.000 0.472 215 D N 0.456 120.869 120.400 0.020 0.000 2.277 215 D HA -0.093 4.547 4.640 0.000 0.000 0.208 215 D C 1.275 177.576 176.300 0.002 0.000 0.962 215 D CA 1.081 55.089 54.000 0.012 0.000 0.865 215 D CB 0.373 41.173 40.800 0.000 0.000 0.939 215 D HN 0.445 nan 8.370 nan 0.000 0.510 216 T N 0.560 115.107 114.554 -0.013 0.000 2.746 216 T HA -0.149 4.201 4.350 0.000 0.000 0.267 216 T C 0.884 175.569 174.700 -0.024 0.000 1.039 216 T CA 1.000 63.077 62.100 -0.038 0.000 1.142 216 T CB -0.138 68.684 68.868 -0.077 0.000 0.866 216 T HN 0.187 nan 8.240 nan 0.000 0.444 217 K N -0.940 119.461 120.400 0.002 0.000 3.129 217 K HA -0.156 4.164 4.320 0.000 0.000 0.273 217 K C -0.195 176.419 176.600 0.023 0.000 1.123 217 K CA 0.453 56.770 56.287 0.048 0.000 0.800 217 K CB -2.302 30.244 32.500 0.076 0.000 1.238 217 K HN 0.475 nan 8.250 nan 0.000 0.492 218 C N -0.610 118.602 119.300 -0.146 0.000 3.725 218 C HA 0.132 4.592 4.460 0.000 0.000 0.294 218 C C 1.247 175.942 174.990 -0.491 0.000 2.443 218 C CA -0.741 58.020 59.018 -0.428 0.000 1.613 218 C CB 0.154 27.677 27.740 -0.362 0.000 3.378 218 C HN 0.339 nan 8.230 nan 0.000 0.406 219 E N 1.419 121.411 120.200 -0.347 0.000 2.415 219 E HA 0.152 4.502 4.350 0.000 0.000 0.197 219 E C 0.699 177.029 176.600 -0.449 0.000 1.007 219 E CA 0.813 56.971 56.400 -0.404 0.000 0.890 219 E CB 0.741 30.354 29.700 -0.144 0.000 0.891 219 E HN 0.641 nan 8.360 nan 0.000 0.496 220 V N -2.407 117.287 119.914 -0.366 0.000 3.114 220 V HA 0.558 4.678 4.120 0.000 0.000 0.308 220 V C -2.945 173.073 176.094 -0.127 0.000 1.168 220 V CA -3.068 58.957 62.300 -0.458 0.000 1.015 220 V CB 1.785 33.069 31.823 -0.899 0.000 1.050 220 V HN -0.286 nan 8.190 nan 0.000 0.433 221 P HA 0.065 nan 4.420 nan 0.000 0.269 221 P C 0.764 178.073 177.300 0.017 0.000 1.205 221 P CA 0.049 63.169 63.100 0.034 0.000 0.780 221 P CB 0.367 32.102 31.700 0.059 0.000 0.858 222 L N 2.586 123.768 121.223 -0.069 0.000 2.043 222 L HA -0.234 4.106 4.340 0.000 0.000 0.212 222 L C 1.614 178.505 176.870 0.035 0.000 1.075 222 L CA 2.290 57.064 54.840 -0.109 0.000 0.752 222 L CB -1.381 40.530 42.059 -0.247 0.000 0.891 222 L HN 0.485 nan 8.230 nan 0.000 0.432 223 D N -1.332 119.115 120.400 0.078 0.000 2.348 223 D HA -0.148 4.492 4.640 0.000 0.000 0.216 223 D C 1.575 177.940 176.300 0.107 0.000 0.970 223 D CA 1.264 55.372 54.000 0.180 0.000 0.889 223 D CB -0.349 40.631 40.800 0.301 0.000 0.912 223 D HN 0.591 nan 8.370 nan 0.000 0.524 224 I N -3.592 116.980 120.570 0.004 0.000 4.240 224 I HA 0.313 4.483 4.170 0.000 0.000 0.331 224 I C 1.622 177.659 176.117 -0.133 0.000 1.381 224 I CA -0.749 60.501 61.300 -0.083 0.000 1.136 224 I CB -0.038 37.797 38.000 -0.275 0.000 1.137 224 I HN 0.033 nan 8.210 nan 0.000 0.411 225 C N 1.742 121.004 119.300 -0.062 0.000 2.367 225 C HA -0.164 4.296 4.460 0.000 0.000 0.276 225 C C 2.283 177.322 174.990 0.082 0.000 1.195 225 C CA 1.644 60.658 59.018 -0.008 0.000 1.756 225 C CB -0.604 27.171 27.740 0.058 0.000 2.046 225 C HN 0.649 nan 8.230 nan 0.000 0.453 226 Q N 0.554 120.414 119.800 0.100 0.000 2.175 226 Q HA 0.305 4.645 4.340 0.000 0.000 0.225 226 Q C 0.451 176.531 176.000 0.133 0.000 0.837 226 Q CA 0.050 55.924 55.803 0.119 0.000 1.032 226 Q CB 0.870 29.660 28.738 0.087 0.000 1.137 226 Q HN 0.669 nan 8.270 nan 0.000 0.483 227 S N -0.079 115.717 115.700 0.160 0.000 2.677 227 S HA 0.645 5.115 4.470 0.000 0.000 0.290 227 S C 0.133 174.859 174.600 0.211 0.000 1.124 227 S CA -0.530 57.764 58.200 0.156 0.000 1.017 227 S CB 1.077 64.360 63.200 0.138 0.000 1.215 227 S HN 0.133 nan 8.310 nan 0.000 0.524 228 I N 0.663 121.318 120.570 0.142 0.000 2.478 228 I HA 0.318 4.488 4.170 0.000 0.000 0.287 228 I C -1.170 175.007 176.117 0.100 0.000 1.042 228 I CA -0.272 61.076 61.300 0.080 0.000 1.067 228 I CB 1.390 39.313 38.000 -0.128 0.000 1.233 228 I HN 0.501 nan 8.210 nan 0.000 0.431 229 C N 5.911 125.334 119.300 0.205 0.000 2.285 229 C HA 0.491 4.951 4.460 0.000 0.000 0.335 229 C C 0.358 175.465 174.990 0.194 0.000 1.267 229 C CA -0.849 58.319 59.018 0.249 0.000 1.762 229 C CB -0.375 27.597 27.740 0.386 0.000 2.365 229 C HN 0.670 nan 8.230 nan 0.000 0.527 230 K N 1.779 122.314 120.400 0.226 0.000 2.221 230 K HA 0.612 4.932 4.320 0.000 0.000 0.243 230 K C -1.329 175.502 176.600 0.385 0.000 0.968 230 K CA -0.613 55.792 56.287 0.196 0.000 0.846 230 K CB 1.935 34.431 32.500 -0.007 0.000 1.141 230 K HN 0.624 nan 8.250 nan 0.000 0.434 231 Y N 1.109 121.494 120.300 0.142 0.000 2.442 231 Y HA 0.317 4.867 4.550 0.000 0.000 0.344 231 Y C -2.714 173.194 175.900 0.012 0.000 0.976 231 Y CA -2.559 55.644 58.100 0.172 0.000 1.040 231 Y CB 1.801 40.362 38.460 0.168 0.000 1.228 231 Y HN 0.391 nan 8.280 nan 0.000 0.451 232 P HA -0.033 nan 4.420 nan 0.000 0.264 232 P C -0.665 176.204 177.300 -0.718 0.000 1.183 232 P CA 0.491 63.114 63.100 -0.796 0.000 0.763 232 P CB 0.500 31.390 31.700 -1.351 0.000 0.807 233 D N 2.800 122.941 120.400 -0.431 0.000 2.741 233 D HA 0.041 4.681 4.640 0.000 0.000 0.233 233 D C 0.637 176.840 176.300 -0.162 0.000 1.160 233 D CA -0.252 53.630 54.000 -0.196 0.000 1.003 233 D CB -0.401 40.328 40.800 -0.119 0.000 1.064 233 D HN 0.293 nan 8.370 nan 0.000 0.503 234 Y N 0.583 120.840 120.300 -0.070 0.000 2.139 234 Y HA -0.258 4.292 4.550 0.000 0.000 0.282 234 Y C 2.350 178.240 175.900 -0.017 0.000 1.179 234 Y CA 0.891 58.961 58.100 -0.049 0.000 1.161 234 Y CB -0.201 38.234 38.460 -0.042 0.000 0.970 234 Y HN 0.280 nan 8.280 nan 0.000 0.511 235 L N -0.197 121.129 121.223 0.173 0.000 1.989 235 L HA -0.312 4.028 4.340 0.000 0.000 0.211 235 L C 2.691 179.593 176.870 0.054 0.000 1.071 235 L CA 2.134 57.035 54.840 0.102 0.000 0.749 235 L CB -0.626 41.489 42.059 0.092 0.000 0.890 235 L HN 0.313 nan 8.230 nan 0.000 0.431 236 Q N -0.182 119.634 119.800 0.026 0.000 2.167 236 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 236 Q C 2.202 178.202 176.000 0.000 0.000 0.970 236 Q CA 1.435 57.239 55.803 0.002 0.000 0.855 236 Q CB -0.048 28.677 28.738 -0.022 0.000 0.911 236 Q HN 0.448 nan 8.270 nan 0.000 0.438 237 M N -0.225 119.370 119.600 -0.008 0.000 2.394 237 M HA -0.055 4.425 4.480 0.000 0.000 0.264 237 M C 1.858 178.174 176.300 0.026 0.000 1.073 237 M CA 0.984 56.280 55.300 -0.008 0.000 1.111 237 M CB 0.247 32.822 32.600 -0.043 0.000 1.401 237 M HN 0.180 nan 8.290 nan 0.000 0.448 238 S N 0.411 116.136 115.700 0.042 0.000 2.425 238 S HA 0.088 4.558 4.470 0.000 0.000 0.225 238 S C 1.989 176.605 174.600 0.027 0.000 1.024 238 S CA 0.921 59.147 58.200 0.042 0.000 0.951 238 S CB -0.040 63.189 63.200 0.049 0.000 0.796 238 S HN 0.531 nan 8.310 nan 0.000 0.498 239 A N 1.274 124.109 122.820 0.025 0.000 2.067 239 A HA 0.076 4.396 4.320 0.000 0.000 0.217 239 A C 0.775 178.370 177.584 0.018 0.000 1.156 239 A CA 0.177 52.224 52.037 0.018 0.000 0.683 239 A CB -0.449 18.561 19.000 0.016 0.000 0.808 239 A HN 0.415 nan 8.150 nan 0.000 0.455 240 D N 0.582 120.998 120.400 0.026 0.000 2.648 240 D HA 0.014 4.654 4.640 0.000 0.000 0.229 240 D C -0.607 175.719 176.300 0.044 0.000 1.119 240 D CA -0.574 53.448 54.000 0.037 0.000 0.850 240 D CB 0.878 41.714 40.800 0.059 0.000 1.169 240 D HN 0.161 nan 8.370 nan 0.000 0.489 241 P HA -0.220 nan 4.420 nan 0.000 0.213 241 P C 1.056 178.356 177.300 -0.001 0.000 1.170 241 P CA 1.544 64.596 63.100 -0.079 0.000 0.898 241 P CB -0.110 31.418 31.700 -0.287 0.000 0.787 242 Y N -0.172 120.233 120.300 0.175 0.000 2.220 242 Y HA 0.130 4.680 4.550 0.000 0.000 0.291 242 Y C 1.913 177.978 175.900 0.275 0.000 1.129 242 Y CA 1.003 59.241 58.100 0.231 0.000 1.161 242 Y CB -0.800 37.756 38.460 0.160 0.000 0.997 242 Y HN 0.115 nan 8.280 nan 0.000 0.522 243 G N 0.488 109.493 108.800 0.341 0.000 2.248 243 G HA2 -0.229 3.731 3.960 0.000 0.000 0.252 243 G HA3 -0.229 3.731 3.960 0.000 0.000 0.252 243 G C 0.076 175.149 174.900 0.287 0.000 1.085 243 G CA 0.393 45.651 45.100 0.264 0.000 0.845 243 G HN 0.375 nan 8.290 nan 0.000 0.494 244 D N -0.027 120.529 120.400 0.259 0.000 2.346 244 D HA 0.074 4.714 4.640 0.000 0.000 0.206 244 D C 2.335 178.642 176.300 0.013 0.000 1.001 244 D CA 0.933 55.072 54.000 0.231 0.000 0.871 244 D CB 0.105 41.068 40.800 0.271 0.000 0.943 244 D HN 0.398 nan 8.370 nan 0.000 0.518 245 S N 0.536 116.230 115.700 -0.010 0.000 2.383 245 S HA -0.072 4.398 4.470 0.000 0.000 0.227 245 S C 1.140 175.634 174.600 -0.177 0.000 1.026 245 S CA 0.752 58.884 58.200 -0.113 0.000 0.981 245 S CB -0.100 63.055 63.200 -0.074 0.000 0.818 245 S HN 0.432 nan 8.310 nan 0.000 0.472 246 M N -0.545 118.972 119.600 -0.139 0.000 2.310 246 M HA 0.419 4.899 4.480 0.000 0.000 0.242 246 M C -1.294 175.002 176.300 -0.006 0.000 1.000 246 M CA -0.685 54.519 55.300 -0.160 0.000 0.970 246 M CB 0.712 33.281 32.600 -0.051 0.000 2.191 246 M HN 0.002 nan 8.290 nan 0.000 0.470 247 F N 1.220 121.275 119.950 0.175 0.000 2.735 247 F HA 0.761 5.288 4.527 0.000 0.000 0.304 247 F C -1.041 174.925 175.800 0.276 0.000 1.119 247 F CA -1.440 56.670 58.000 0.182 0.000 1.280 247 F CB -0.050 39.050 39.000 0.166 0.000 0.994 247 F HN 0.516 nan 8.300 nan 0.000 0.520 248 F N 1.315 121.427 119.950 0.270 0.000 2.652 248 F HA 0.504 5.031 4.527 0.000 0.000 0.320 248 F C -1.870 173.993 175.800 0.105 0.000 1.115 248 F CA -1.596 56.525 58.000 0.202 0.000 1.053 248 F CB 0.908 40.072 39.000 0.273 0.000 1.297 248 F HN 0.155 nan 8.300 nan 0.000 0.471 249 C N 7.718 126.703 119.300 -0.525 0.000 2.752 249 C HA 0.878 5.338 4.460 0.000 0.000 0.360 249 C C -2.323 172.388 174.990 -0.466 0.000 1.081 249 C CA -0.565 58.261 59.018 -0.319 0.000 1.272 249 C CB 0.479 28.184 27.740 -0.059 0.000 1.754 249 C HN 0.796 nan 8.230 nan 0.000 0.483 250 L N 6.383 127.408 121.223 -0.329 0.000 2.439 250 L HA 0.781 5.121 4.340 0.000 0.000 0.270 250 L C -0.054 176.738 176.870 -0.131 0.000 0.972 250 L CA -0.086 54.569 54.840 -0.308 0.000 0.836 250 L CB 1.805 43.614 42.059 -0.416 0.000 1.255 250 L HN 0.901 nan 8.230 nan 0.000 0.404 251 R N 2.273 122.697 120.500 -0.127 0.000 2.808 251 R HA 0.964 5.304 4.340 0.000 0.000 0.272 251 R C -0.960 175.303 176.300 -0.062 0.000 0.995 251 R CA -1.128 54.942 56.100 -0.051 0.000 0.917 251 R CB 2.273 32.539 30.300 -0.057 0.000 1.217 251 R HN 0.484 nan 8.270 nan 0.000 0.471 252 R N 1.314 121.807 120.500 -0.011 0.000 2.879 252 R HA 0.120 4.460 4.340 0.000 0.000 0.291 252 R C -1.651 174.673 176.300 0.041 0.000 1.246 252 R CA -0.280 55.816 56.100 -0.008 0.000 1.083 252 R CB 1.206 31.478 30.300 -0.046 0.000 1.274 252 R HN 0.987 nan 8.270 nan 0.000 0.393 253 E N 3.785 124.022 120.200 0.062 0.000 2.359 253 E HA 0.512 4.862 4.350 0.000 0.000 0.266 253 E C -1.359 175.288 176.600 0.079 0.000 0.920 253 E CA -1.070 55.386 56.400 0.093 0.000 0.788 253 E CB 2.629 32.411 29.700 0.136 0.000 1.279 253 E HN 0.580 nan 8.360 nan 0.000 0.438 254 Q N 0.675 120.531 119.800 0.094 0.000 2.617 254 Q HA 0.523 4.863 4.340 0.000 0.000 0.270 254 Q C -1.437 174.633 176.000 0.117 0.000 0.967 254 Q CA -1.115 54.744 55.803 0.093 0.000 0.887 254 Q CB 1.477 30.265 28.738 0.084 0.000 1.516 254 Q HN 0.605 nan 8.270 nan 0.000 0.395 255 L N -1.368 119.934 121.223 0.131 0.000 3.064 255 L HA 0.889 5.229 4.340 0.000 0.000 0.282 255 L C -1.691 175.327 176.870 0.247 0.000 1.045 255 L CA -0.848 54.083 54.840 0.152 0.000 0.986 255 L CB 0.559 42.658 42.059 0.067 0.000 1.571 255 L HN 1.139 nan 8.230 nan 0.000 0.377 256 F N -1.231 118.727 119.950 0.013 0.000 2.741 256 F HA 0.890 5.417 4.527 0.000 0.000 0.311 256 F C -1.055 174.747 175.800 0.004 0.000 1.149 256 F CA -0.604 57.399 58.000 0.005 0.000 0.930 256 F CB 0.979 39.978 39.000 -0.002 0.000 1.312 256 F HN 0.910 nan 8.300 nan 0.000 0.450 257 A N 2.697 125.587 122.820 0.116 0.000 2.310 257 A HA 0.576 4.896 4.320 0.000 0.000 0.300 257 A C 0.844 178.382 177.584 -0.076 0.000 1.269 257 A CA -0.325 51.723 52.037 0.018 0.000 0.909 257 A CB 0.651 19.820 19.000 0.283 0.000 1.144 257 A HN 0.927 nan 8.150 nan 0.000 0.540 258 R N 1.800 122.073 120.500 -0.379 0.000 2.052 258 R HA 0.087 4.427 4.340 0.000 0.000 0.224 258 R C -0.193 175.736 176.300 -0.618 0.000 1.149 258 R CA 1.561 57.427 56.100 -0.390 0.000 0.962 258 R CB -0.169 29.945 30.300 -0.311 0.000 0.856 258 R HN 0.838 nan 8.270 nan 0.000 0.433 259 H N -1.847 116.904 119.070 -0.532 0.000 2.690 259 H HA 0.379 4.935 4.556 0.000 0.000 0.368 259 H C -1.248 173.679 175.328 -0.669 0.000 1.150 259 H CA -0.612 54.947 56.048 -0.815 0.000 1.174 259 H CB 1.526 30.649 29.762 -1.065 0.000 1.684 259 H HN 0.011 nan 8.280 nan 0.000 0.538 260 F N 2.307 121.942 119.950 -0.524 0.000 2.404 260 F HA 0.290 4.817 4.527 0.000 0.000 0.354 260 F C -0.455 175.232 175.800 -0.188 0.000 1.122 260 F CA -0.755 57.063 58.000 -0.302 0.000 1.080 260 F CB 1.168 40.083 39.000 -0.142 0.000 1.131 260 F HN 0.218 nan 8.300 nan 0.000 0.471 261 W N 1.445 122.969 121.300 0.375 0.000 3.021 261 W HA 0.350 5.010 4.660 -0.000 0.000 0.337 261 W C -0.703 175.986 176.519 0.283 0.000 1.171 261 W CA -1.128 56.394 57.345 0.295 0.000 1.060 261 W CB 1.302 30.924 29.460 0.269 0.000 1.472 261 W HN 0.396 nan 8.180 nan 0.000 0.594 262 N N 0.283 119.262 118.700 0.465 0.000 2.471 262 N HA 0.492 5.232 4.740 0.000 0.000 0.288 262 N C -0.811 174.764 175.510 0.108 0.000 1.220 262 N CA -0.647 52.522 53.050 0.200 0.000 0.893 262 N CB 1.324 39.893 38.487 0.136 0.000 1.256 262 N HN -0.048 nan 8.380 nan 0.000 0.534 263 R N 0.872 121.365 120.500 -0.012 0.000 2.494 263 R HA 0.459 4.799 4.340 0.000 0.000 0.305 263 R C -0.968 175.294 176.300 -0.064 0.000 0.959 263 R CA -0.637 55.438 56.100 -0.043 0.000 0.864 263 R CB 1.451 31.717 30.300 -0.057 0.000 1.159 263 R HN 0.586 nan 8.270 nan 0.000 0.446 264 A N 1.145 123.923 122.820 -0.070 0.000 2.340 264 A HA 0.744 5.064 4.320 0.000 0.000 0.268 264 A C 0.438 177.981 177.584 -0.069 0.000 1.100 264 A CA 0.547 52.545 52.037 -0.065 0.000 0.803 264 A CB 0.594 19.554 19.000 -0.067 0.000 1.043 264 A HN 0.847 nan 8.150 nan 0.000 0.488 265 G N -0.174 108.590 108.800 -0.059 0.000 2.347 265 G HA2 0.470 4.430 3.960 0.000 0.000 0.477 265 G HA3 0.470 4.430 3.960 0.000 0.000 0.477 265 G C -0.258 174.612 174.900 -0.051 0.000 1.349 265 G CA -0.127 44.940 45.100 -0.055 0.000 1.000 265 G HN 1.922 nan 8.290 nan 0.000 0.605 266 T N -0.908 113.619 114.554 -0.044 0.000 2.909 266 T HA 0.591 4.941 4.350 0.000 0.000 0.289 266 T C 0.835 175.509 174.700 -0.042 0.000 1.005 266 T CA -0.601 61.475 62.100 -0.039 0.000 1.084 266 T CB 1.031 69.881 68.868 -0.030 0.000 0.975 266 T HN 0.582 nan 8.240 nan 0.000 0.509 267 M N 3.500 123.075 119.600 -0.042 0.000 2.220 267 M HA 0.222 4.702 4.480 0.000 0.000 0.343 267 M C 1.676 177.958 176.300 -0.030 0.000 1.470 267 M CA -0.391 54.883 55.300 -0.043 0.000 1.161 267 M CB 0.061 32.634 32.600 -0.045 0.000 1.737 267 M HN 1.093 nan 8.290 nan 0.000 0.464 268 G N 3.671 112.452 108.800 -0.031 0.000 2.480 268 G HA2 -0.112 3.848 3.960 0.000 0.000 0.216 268 G HA3 -0.112 3.848 3.960 0.000 0.000 0.216 268 G C 0.286 175.175 174.900 -0.018 0.000 1.200 268 G CA 0.410 45.495 45.100 -0.024 0.000 0.782 268 G HN 0.615 nan 8.290 nan 0.000 0.554 269 D N 1.086 121.475 120.400 -0.019 0.000 2.264 269 D HA 0.345 4.985 4.640 0.000 0.000 0.250 269 D C -0.144 176.154 176.300 -0.003 0.000 1.113 269 D CA 0.206 54.200 54.000 -0.010 0.000 0.871 269 D CB 1.344 42.137 40.800 -0.011 0.000 1.167 269 D HN 0.009 nan 8.370 nan 0.000 0.447 270 T N 0.675 115.234 114.554 0.009 0.000 2.817 270 T HA 0.207 4.557 4.350 0.000 0.000 0.293 270 T C 0.689 175.418 174.700 0.049 0.000 0.964 270 T CA -0.766 61.349 62.100 0.024 0.000 1.085 270 T CB 1.155 70.041 68.868 0.030 0.000 0.921 270 T HN 0.035 nan 8.240 nan 0.000 0.502 271 V N 6.276 126.230 119.914 0.067 0.000 2.458 271 V HA 0.080 4.200 4.120 0.000 0.000 0.287 271 V C -1.780 174.434 176.094 0.200 0.000 1.009 271 V CA -1.294 61.080 62.300 0.122 0.000 1.091 271 V CB -0.639 31.248 31.823 0.106 0.000 0.960 271 V HN 0.752 nan 8.190 nan 0.000 0.476 272 P HA 0.006 nan 4.420 nan 0.000 0.262 272 P C 0.846 178.174 177.300 0.046 0.000 1.182 272 P CA 0.123 63.269 63.100 0.076 0.000 0.761 272 P CB 0.418 32.147 31.700 0.047 0.000 0.795 273 Q N 1.725 121.479 119.800 -0.077 0.000 2.234 273 Q HA -0.124 4.216 4.340 0.000 0.000 0.206 273 Q C 1.470 177.252 176.000 -0.364 0.000 0.980 273 Q CA 1.814 57.410 55.803 -0.345 0.000 0.869 273 Q CB -0.328 28.274 28.738 -0.226 0.000 0.912 273 Q HN 0.591 nan 8.270 nan 0.000 0.436 274 S N -0.840 114.764 115.700 -0.161 0.000 2.660 274 S HA 0.075 4.545 4.470 0.000 0.000 0.223 274 S C 1.417 175.979 174.600 -0.064 0.000 0.963 274 S CA 0.112 58.247 58.200 -0.109 0.000 0.932 274 S CB -0.097 63.069 63.200 -0.055 0.000 0.775 274 S HN 0.274 nan 8.310 nan 0.000 0.531 275 L N 0.280 121.480 121.223 -0.037 0.000 2.766 275 L HA 0.434 4.774 4.340 0.000 0.000 0.242 275 L C -0.118 176.878 176.870 0.209 0.000 1.136 275 L CA -0.468 54.429 54.840 0.094 0.000 0.933 275 L CB 0.127 42.282 42.059 0.159 0.000 1.241 275 L HN 0.599 nan 8.230 nan 0.000 0.522 276 Y N -3.067 117.240 120.300 0.011 0.000 2.750 276 Y HA 0.635 5.185 4.550 0.000 0.000 0.335 276 Y C -1.365 174.542 175.900 0.011 0.000 1.252 276 Y CA -1.718 56.389 58.100 0.013 0.000 1.064 276 Y CB 0.755 39.226 38.460 0.018 0.000 1.321 276 Y HN -0.278 nan 8.280 nan 0.000 0.451 277 I N 2.476 123.179 120.570 0.222 0.000 2.362 277 I HA 0.353 4.523 4.170 0.000 0.000 0.289 277 I C -0.123 176.125 176.117 0.218 0.000 0.994 277 I CA -1.525 59.835 61.300 0.101 0.000 1.158 277 I CB 1.381 39.423 38.000 0.071 0.000 1.315 277 I HN 0.539 nan 8.210 nan 0.000 0.451 278 K N 3.113 123.600 120.400 0.145 0.000 2.469 278 K HA 0.386 4.706 4.320 0.000 0.000 0.274 278 K C 0.577 177.248 176.600 0.119 0.000 0.983 278 K CA 0.152 56.552 56.287 0.189 0.000 0.974 278 K CB 0.588 33.154 32.500 0.109 0.000 0.913 278 K HN 0.895 nan 8.250 nan 0.000 0.493 279 G N 0.472 109.336 108.800 0.107 0.000 3.212 279 G HA2 0.505 4.465 3.960 0.000 0.000 0.188 279 G HA3 0.505 4.465 3.960 0.000 0.000 0.188 279 G C -0.776 174.154 174.900 0.051 0.000 1.254 279 G CA -0.418 44.721 45.100 0.066 0.000 0.957 279 G HN 0.605 nan 8.290 nan 0.000 0.596 280 T N -3.431 111.146 114.554 0.038 0.000 2.888 280 T HA 0.716 5.066 4.350 0.000 0.000 0.288 280 T C 0.837 175.552 174.700 0.025 0.000 1.063 280 T CA 0.464 62.581 62.100 0.030 0.000 1.010 280 T CB 1.228 70.110 68.868 0.024 0.000 1.214 280 T HN 2.326 nan 8.240 nan 0.000 0.533 281 G N 1.434 110.246 108.800 0.020 0.000 2.564 281 G HA2 -0.338 3.622 3.960 0.000 0.000 0.273 281 G HA3 -0.338 3.622 3.960 0.000 0.000 0.273 281 G C 0.950 175.859 174.900 0.015 0.000 1.242 281 G CA 1.063 46.172 45.100 0.016 0.000 0.951 281 G HN 1.580 nan 8.290 nan 0.000 0.564 282 M N -0.757 118.850 119.600 0.012 0.000 2.149 282 M HA 0.049 4.529 4.480 0.000 0.000 0.261 282 M C 2.223 178.528 176.300 0.008 0.000 1.064 282 M CA 2.572 57.877 55.300 0.009 0.000 1.102 282 M CB -0.285 32.320 32.600 0.009 0.000 1.369 282 M HN 0.416 nan 8.290 nan 0.000 0.408 283 R N 0.797 121.304 120.500 0.013 0.000 2.343 283 R HA 0.158 4.498 4.340 0.000 0.000 0.202 283 R C 2.022 178.336 176.300 0.024 0.000 1.023 283 R CA 0.406 56.513 56.100 0.013 0.000 1.084 283 R CB -0.280 30.032 30.300 0.020 0.000 0.956 283 R HN 0.631 nan 8.270 nan 0.000 0.478 284 A N -0.024 122.812 122.820 0.028 0.000 1.872 284 A HA -0.016 4.304 4.320 0.000 0.000 0.214 284 A C 1.146 178.767 177.584 0.061 0.000 1.187 284 A CA 0.869 52.934 52.037 0.047 0.000 0.614 284 A CB 0.153 19.176 19.000 0.037 0.000 0.826 284 A HN 0.211 nan 8.150 nan 0.000 0.442 285 S N 0.328 116.043 115.700 0.026 0.000 2.501 285 S HA 0.561 5.031 4.470 0.000 0.000 0.301 285 S C -2.823 171.738 174.600 -0.065 0.000 1.096 285 S CA -1.786 56.421 58.200 0.011 0.000 1.063 285 S CB 1.140 64.349 63.200 0.015 0.000 1.042 285 S HN 0.259 nan 8.310 nan 0.000 0.494 286 P HA 0.242 nan 4.420 nan 0.000 0.268 286 P C 0.483 177.710 177.300 -0.123 0.000 1.205 286 P CA -0.177 62.782 63.100 -0.234 0.000 0.771 286 P CB 0.390 31.838 31.700 -0.421 0.000 0.858 287 G N 1.340 110.081 108.800 -0.098 0.000 2.666 287 G HA2 0.174 4.134 3.960 0.000 0.000 0.207 287 G HA3 0.174 4.134 3.960 0.000 0.000 0.207 287 G C -0.267 174.580 174.900 -0.089 0.000 1.481 287 G CA -0.395 44.665 45.100 -0.068 0.000 1.071 287 G HN 0.590 nan 8.290 nan 0.000 0.572 288 S N -1.789 113.854 115.700 -0.096 0.000 2.548 288 S HA 0.241 4.711 4.470 0.000 0.000 0.277 288 S C 0.315 174.744 174.600 -0.286 0.000 1.315 288 S CA -0.667 57.438 58.200 -0.158 0.000 1.050 288 S CB 0.138 63.252 63.200 -0.143 0.000 0.918 288 S HN 0.501 nan 8.310 nan 0.000 0.497 289 C N 4.991 124.097 119.300 -0.324 0.000 2.849 289 C HA 0.367 4.827 4.460 0.000 0.000 0.271 289 C C -0.283 174.387 174.990 -0.533 0.000 1.519 289 C CA -0.686 58.065 59.018 -0.445 0.000 1.783 289 C CB -1.204 26.457 27.740 -0.131 0.000 2.869 289 C HN 0.633 nan 8.230 nan 0.000 0.527 290 V N 1.774 121.362 119.914 -0.543 0.000 2.293 290 V HA 0.359 4.479 4.120 0.000 0.000 0.275 290 V C -0.728 175.166 176.094 -0.334 0.000 1.021 290 V CA -0.349 61.769 62.300 -0.303 0.000 0.815 290 V CB -0.307 31.427 31.823 -0.148 0.000 1.025 290 V HN 0.433 nan 8.190 nan 0.000 0.448 291 Y N 2.208 122.531 120.300 0.039 0.000 2.387 291 Y HA 0.696 5.246 4.550 0.000 0.000 0.330 291 Y C 0.717 176.662 175.900 0.076 0.000 1.133 291 Y CA -0.596 57.543 58.100 0.064 0.000 1.152 291 Y CB 2.061 40.528 38.460 0.011 0.000 1.215 291 Y HN 0.634 nan 8.280 nan 0.000 0.466 292 S N 2.601 118.482 115.700 0.301 0.000 2.603 292 S HA 0.576 5.046 4.470 0.000 0.000 0.274 292 S C -3.369 171.391 174.600 0.267 0.000 1.168 292 S CA -1.446 56.903 58.200 0.249 0.000 0.963 292 S CB 2.344 65.722 63.200 0.298 0.000 1.078 292 S HN 0.388 nan 8.310 nan 0.000 0.477 293 P HA 0.425 nan 4.420 nan 0.000 0.287 293 P C -0.464 176.832 177.300 -0.007 0.000 1.270 293 P CA -0.544 62.593 63.100 0.061 0.000 0.844 293 P CB 1.488 33.198 31.700 0.017 0.000 1.068 294 S N 2.272 117.909 115.700 -0.106 0.000 2.499 294 S HA 0.408 4.878 4.470 0.000 0.000 0.275 294 S C -1.946 172.545 174.600 -0.183 0.000 1.257 294 S CA -1.209 56.950 58.200 -0.069 0.000 1.050 294 S CB 0.083 63.215 63.200 -0.114 0.000 0.937 294 S HN 0.349 nan 8.310 nan 0.000 0.490 295 P HA 0.350 nan 4.420 nan 0.000 0.277 295 P C -0.476 176.670 177.300 -0.256 0.000 1.276 295 P CA -0.474 62.496 63.100 -0.216 0.000 0.788 295 P CB 0.802 32.411 31.700 -0.152 0.000 1.114 296 S N -1.307 114.212 115.700 -0.301 0.000 2.605 296 S HA 0.450 4.920 4.470 0.000 0.000 0.324 296 S C -0.685 173.805 174.600 -0.184 0.000 0.978 296 S CA -0.605 57.390 58.200 -0.341 0.000 0.864 296 S CB -0.445 62.320 63.200 -0.726 0.000 1.095 296 S HN 0.685 nan 8.310 nan 0.000 0.460 297 G N 2.861 111.680 108.800 0.032 0.000 2.353 297 G HA2 0.494 4.454 3.960 0.000 0.000 0.284 297 G HA3 0.494 4.454 3.960 0.000 0.000 0.284 297 G C 0.621 175.653 174.900 0.219 0.000 1.172 297 G CA 0.118 45.306 45.100 0.148 0.000 0.854 297 G HN 0.823 nan 8.290 nan 0.000 0.485 298 S N 1.650 117.537 115.700 0.310 0.000 2.184 298 S HA 0.148 4.618 4.470 0.000 0.000 0.202 298 S C 1.081 175.772 174.600 0.152 0.000 1.373 298 S CA -0.332 58.036 58.200 0.281 0.000 1.117 298 S CB -0.256 63.036 63.200 0.154 0.000 0.715 298 S HN 0.396 nan 8.310 nan 0.000 0.427 299 I N 1.105 121.728 120.570 0.089 0.000 2.710 299 I HA 0.151 4.322 4.170 0.000 0.000 0.286 299 I C -0.111 176.043 176.117 0.062 0.000 1.181 299 I CA 0.160 61.497 61.300 0.061 0.000 1.430 299 I CB 0.935 38.953 38.000 0.030 0.000 1.367 299 I HN 0.201 nan 8.210 nan 0.000 0.577 300 V N 6.813 126.762 119.914 0.058 0.000 2.347 300 V HA 0.540 4.660 4.120 0.000 0.000 0.280 300 V C -0.160 175.956 176.094 0.038 0.000 1.021 300 V CA 0.114 62.447 62.300 0.054 0.000 0.847 300 V CB 1.558 33.418 31.823 0.062 0.000 0.990 300 V HN 0.855 nan 8.190 nan 0.000 0.444 301 T N 3.050 117.622 114.554 0.029 0.000 2.916 301 T HA 0.402 4.752 4.350 0.000 0.000 0.292 301 T C 1.168 175.877 174.700 0.016 0.000 1.064 301 T CA 0.153 62.265 62.100 0.020 0.000 1.011 301 T CB 1.957 70.832 68.868 0.013 0.000 1.152 301 T HN 0.997 nan 8.240 nan 0.000 0.510 302 S N 1.540 117.247 115.700 0.012 0.000 2.428 302 S HA -0.052 4.418 4.470 0.000 0.000 0.230 302 S C 1.294 175.895 174.600 0.002 0.000 1.014 302 S CA 0.861 59.066 58.200 0.009 0.000 0.957 302 S CB -0.363 62.840 63.200 0.006 0.000 0.784 302 S HN 0.777 nan 8.310 nan 0.000 0.499 303 D N 2.600 123.001 120.400 0.001 0.000 2.190 303 D HA -0.083 4.557 4.640 0.000 0.000 0.200 303 D C 1.663 177.959 176.300 -0.005 0.000 0.992 303 D CA 1.693 55.691 54.000 -0.002 0.000 0.854 303 D CB -0.350 40.449 40.800 -0.002 0.000 0.936 303 D HN 0.701 nan 8.370 nan 0.000 0.462 304 S N -0.317 115.380 115.700 -0.005 0.000 2.583 304 S HA 0.137 4.607 4.470 0.000 0.000 0.239 304 S C 0.562 175.145 174.600 -0.028 0.000 0.966 304 S CA -0.595 57.598 58.200 -0.012 0.000 0.973 304 S CB 0.518 63.714 63.200 -0.006 0.000 0.794 304 S HN -0.088 nan 8.310 nan 0.000 0.463 305 Q N 1.068 120.853 119.800 -0.025 0.000 2.364 305 Q HA 0.415 4.755 4.340 0.000 0.000 0.267 305 Q C 0.381 176.326 176.000 -0.092 0.000 0.999 305 Q CA -0.129 55.648 55.803 -0.044 0.000 0.886 305 Q CB 1.022 29.757 28.738 -0.005 0.000 1.243 305 Q HN 0.392 nan 8.270 nan 0.000 0.415 306 L N 2.983 124.059 121.223 -0.245 0.000 2.616 306 L HA 0.405 4.745 4.340 0.000 0.000 0.229 306 L C -0.650 175.996 176.870 -0.374 0.000 1.110 306 L CA 0.437 55.058 54.840 -0.364 0.000 0.884 306 L CB 0.249 41.922 42.059 -0.644 0.000 1.115 306 L HN 0.619 nan 8.230 nan 0.000 0.481 307 F N -1.136 118.872 119.950 0.097 0.000 2.629 307 F HA 0.309 4.836 4.527 0.000 0.000 0.386 307 F C 1.413 177.195 175.800 -0.030 0.000 1.135 307 F CA -0.843 57.193 58.000 0.061 0.000 1.116 307 F CB 0.335 39.351 39.000 0.027 0.000 1.426 307 F HN -0.170 nan 8.300 nan 0.000 0.501 308 N N -0.567 118.237 118.700 0.173 0.000 2.815 308 N HA -0.227 4.513 4.740 0.000 0.000 0.247 308 N C -1.059 174.406 175.510 -0.075 0.000 1.030 308 N CA 0.740 53.797 53.050 0.011 0.000 0.881 308 N CB -0.728 37.767 38.487 0.014 0.000 1.134 308 N HN 0.384 nan 8.380 nan 0.000 0.582 309 K N 0.339 120.655 120.400 -0.140 0.000 2.318 309 K HA 0.498 4.818 4.320 0.000 0.000 0.249 309 K C -2.594 173.654 176.600 -0.588 0.000 0.942 309 K CA -1.633 54.450 56.287 -0.340 0.000 0.808 309 K CB 2.209 34.464 32.500 -0.409 0.000 1.189 309 K HN -0.132 nan 8.250 nan 0.000 0.428 310 P HA 0.235 nan 4.420 nan 0.000 0.284 310 P C -1.434 175.141 177.300 -1.208 0.000 1.258 310 P CA -0.423 62.171 63.100 -0.844 0.000 0.824 310 P CB 0.731 31.969 31.700 -0.770 0.000 1.038 311 Y N -0.205 119.607 120.300 -0.814 0.000 2.421 311 Y HA 0.369 4.919 4.550 0.000 0.000 0.339 311 Y C -0.544 174.916 175.900 -0.733 0.000 0.996 311 Y CA -0.565 57.168 58.100 -0.611 0.000 1.046 311 Y CB 1.806 40.196 38.460 -0.116 0.000 1.226 311 Y HN 0.352 nan 8.280 nan 0.000 0.445 312 W N 4.634 126.056 121.300 0.203 0.000 2.429 312 W HA 0.615 5.275 4.660 0.000 0.000 0.314 312 W C -0.949 175.713 176.519 0.237 0.000 1.062 312 W CA -0.920 56.510 57.345 0.142 0.000 1.211 312 W CB 0.896 30.440 29.460 0.140 0.000 1.305 312 W HN 0.279 nan 8.180 nan 0.000 0.476 313 L N 5.835 127.249 121.223 0.318 0.000 2.399 313 L HA 0.096 4.436 4.340 0.000 0.000 0.257 313 L C 1.787 178.818 176.870 0.269 0.000 1.236 313 L CA -0.601 54.405 54.840 0.277 0.000 1.144 313 L CB -0.781 41.312 42.059 0.057 0.000 1.379 313 L HN 0.670 nan 8.230 nan 0.000 0.414 314 H N 1.572 120.776 119.070 0.223 0.000 2.267 314 H HA -0.036 4.520 4.556 0.000 0.000 0.297 314 H C -0.015 175.388 175.328 0.125 0.000 1.080 314 H CA 0.844 56.994 56.048 0.169 0.000 1.278 314 H CB -0.049 29.812 29.762 0.164 0.000 1.365 314 H HN 0.395 nan 8.280 nan 0.000 0.489 315 K N 0.388 120.421 120.400 -0.611 0.000 2.695 315 K HA 0.557 4.877 4.320 0.000 0.000 0.255 315 K C -0.824 175.584 176.600 -0.320 0.000 1.016 315 K CA 0.062 56.155 56.287 -0.325 0.000 0.928 315 K CB 2.684 35.083 32.500 -0.169 0.000 1.235 315 K HN 0.466 nan 8.250 nan 0.000 0.467 316 A N 1.758 124.512 122.820 -0.111 0.000 2.567 316 A HA -0.090 4.230 4.320 0.000 0.000 0.236 316 A C 1.269 178.876 177.584 0.038 0.000 1.088 316 A CA 0.518 52.573 52.037 0.029 0.000 0.776 316 A CB 0.245 19.311 19.000 0.110 0.000 1.033 316 A HN 0.864 nan 8.150 nan 0.000 0.513 317 Q N 1.063 120.918 119.800 0.092 0.000 2.163 317 Q HA 0.247 4.587 4.340 0.000 0.000 0.198 317 Q C 1.072 177.096 176.000 0.040 0.000 0.954 317 Q CA 1.233 57.071 55.803 0.058 0.000 0.851 317 Q CB -0.719 28.057 28.738 0.064 0.000 0.928 317 Q HN 0.830 nan 8.270 nan 0.000 0.459 318 G N -0.578 108.279 108.800 0.094 0.000 2.494 318 G HA2 0.133 4.093 3.960 0.000 0.000 0.270 318 G HA3 0.133 4.093 3.960 0.000 0.000 0.270 318 G C -0.231 174.717 174.900 0.080 0.000 1.423 318 G CA -0.098 45.044 45.100 0.070 0.000 1.055 318 G HN 0.447 nan 8.290 nan 0.000 0.536 319 H N -1.138 118.050 119.070 0.197 0.000 2.547 319 H HA 0.107 4.663 4.556 0.000 0.000 0.272 319 H C 0.668 176.140 175.328 0.239 0.000 0.971 319 H CA -0.185 55.988 56.048 0.208 0.000 1.245 319 H CB 0.444 30.353 29.762 0.246 0.000 1.440 319 H HN 0.232 nan 8.280 nan 0.000 0.540 320 N N 1.368 120.319 118.700 0.418 0.000 2.422 320 N HA -0.065 4.675 4.740 0.000 0.000 0.264 320 N C -0.847 174.796 175.510 0.221 0.000 1.063 320 N CA 0.063 53.341 53.050 0.381 0.000 0.959 320 N CB 0.506 39.310 38.487 0.527 0.000 1.087 320 N HN 0.229 nan 8.380 nan 0.000 0.483 321 N N 2.924 121.654 118.700 0.050 0.000 3.271 321 N HA 0.153 4.893 4.740 0.000 0.000 0.303 321 N C 0.520 175.834 175.510 -0.326 0.000 1.415 321 N CA 0.342 53.337 53.050 -0.091 0.000 1.159 321 N CB -0.409 38.047 38.487 -0.051 0.000 1.432 321 N HN 0.868 nan 8.380 nan 0.000 0.521 322 G N 0.227 108.547 108.800 -0.800 0.000 2.162 322 G HA2 -0.269 3.691 3.960 0.000 0.000 0.260 322 G HA3 -0.269 3.691 3.960 0.000 0.000 0.260 322 G C 0.123 174.684 174.900 -0.564 0.000 0.976 322 G CA 0.240 44.599 45.100 -1.235 0.000 0.655 322 G HN 0.336 nan 8.290 nan 0.000 0.533 323 V N 1.231 120.928 119.914 -0.362 0.000 2.446 323 V HA 0.220 4.340 4.120 0.000 0.000 0.276 323 V C 1.235 177.113 176.094 -0.360 0.000 1.030 323 V CA 0.014 62.068 62.300 -0.411 0.000 1.033 323 V CB 0.836 32.257 31.823 -0.671 0.000 0.993 323 V HN 0.437 nan 8.190 nan 0.000 0.477 324 C N 5.993 125.186 119.300 -0.179 0.000 2.210 324 C HA 0.260 4.720 4.460 0.000 0.000 0.377 324 C C 0.482 175.477 174.990 0.008 0.000 1.037 324 C CA -1.405 57.628 59.018 0.025 0.000 1.405 324 C CB -1.914 25.892 27.740 0.111 0.000 1.802 324 C HN 0.850 nan 8.230 nan 0.000 0.495 325 W N 1.720 123.171 121.300 0.252 0.000 2.170 325 W HA 0.251 4.911 4.660 0.000 0.000 0.342 325 W C 1.229 177.917 176.519 0.281 0.000 1.294 325 W CA 0.352 57.826 57.345 0.215 0.000 1.246 325 W CB -0.113 29.484 29.460 0.229 0.000 1.156 325 W HN 0.788 nan 8.180 nan 0.000 0.572 326 H N 0.243 119.497 119.070 0.307 0.000 3.080 326 H HA -0.259 4.297 4.556 0.000 0.000 0.254 326 H C 0.305 175.709 175.328 0.126 0.000 1.179 326 H CA 1.102 57.251 56.048 0.168 0.000 1.144 326 H CB -1.953 27.909 29.762 0.167 0.000 1.261 326 H HN 0.523 nan 8.280 nan 0.000 0.333 327 N N 0.102 118.920 118.700 0.197 0.000 2.705 327 N HA -0.214 4.526 4.740 0.000 0.000 0.255 327 N C -0.299 175.233 175.510 0.037 0.000 1.008 327 N CA 1.472 54.583 53.050 0.101 0.000 0.742 327 N CB -0.667 37.860 38.487 0.067 0.000 0.906 327 N HN 0.737 nan 8.380 nan 0.000 0.541 328 Q N -0.629 119.224 119.800 0.088 0.000 2.451 328 Q HA 0.780 5.120 4.340 0.000 0.000 0.281 328 Q C -1.130 174.883 176.000 0.021 0.000 1.099 328 Q CA -0.875 54.935 55.803 0.012 0.000 0.806 328 Q CB 2.484 31.297 28.738 0.124 0.000 1.419 328 Q HN 0.246 nan 8.270 nan 0.000 0.427 329 L N 1.277 122.418 121.223 -0.136 0.000 2.588 329 L HA 0.512 4.852 4.340 0.000 0.000 0.263 329 L C -2.097 174.648 176.870 -0.208 0.000 0.935 329 L CA -0.112 54.715 54.840 -0.022 0.000 0.891 329 L CB 1.559 43.587 42.059 -0.052 0.000 1.318 329 L HN 0.484 nan 8.230 nan 0.000 0.409 330 F N 4.597 124.488 119.950 -0.098 0.000 2.444 330 F HA 0.673 5.200 4.527 0.000 0.000 0.342 330 F C -0.109 175.673 175.800 -0.031 0.000 1.121 330 F CA -0.791 57.122 58.000 -0.146 0.000 0.997 330 F CB 2.026 40.859 39.000 -0.279 0.000 1.130 330 F HN 0.085 nan 8.300 nan 0.000 0.454 331 V N 2.921 122.949 119.914 0.189 0.000 2.350 331 V HA 0.371 4.491 4.120 0.000 0.000 0.285 331 V C -0.307 175.929 176.094 0.237 0.000 1.014 331 V CA -0.661 61.791 62.300 0.253 0.000 0.831 331 V CB 1.406 33.421 31.823 0.320 0.000 1.000 331 V HN 0.766 nan 8.190 nan 0.000 0.433 332 T N 4.886 119.552 114.554 0.187 0.000 2.749 332 T HA 0.662 5.012 4.350 0.000 0.000 0.287 332 T C -0.233 174.596 174.700 0.215 0.000 0.970 332 T CA -0.340 61.854 62.100 0.157 0.000 0.980 332 T CB 1.467 70.402 68.868 0.113 0.000 0.924 332 T HN 0.345 nan 8.240 nan 0.000 0.456 333 V N 3.526 123.555 119.914 0.191 0.000 2.876 333 V HA 0.714 4.834 4.120 0.000 0.000 0.312 333 V C -0.731 175.480 176.094 0.194 0.000 1.085 333 V CA -0.787 61.651 62.300 0.229 0.000 0.945 333 V CB 2.453 34.400 31.823 0.207 0.000 1.017 333 V HN 0.694 nan 8.190 nan 0.000 0.428 334 V N 2.512 122.568 119.914 0.236 0.000 2.655 334 V HA 0.569 4.689 4.120 0.000 0.000 0.301 334 V C -1.500 174.746 176.094 0.253 0.000 1.082 334 V CA -0.420 61.958 62.300 0.130 0.000 0.899 334 V CB 1.960 33.762 31.823 -0.035 0.000 1.014 334 V HN 1.021 nan 8.190 nan 0.000 0.429 335 D N 2.396 122.922 120.400 0.210 0.000 2.478 335 D HA 0.407 5.047 4.640 0.000 0.000 0.240 335 D C 0.555 176.903 176.300 0.079 0.000 1.364 335 D CA 0.174 54.326 54.000 0.253 0.000 0.987 335 D CB 2.081 43.100 40.800 0.366 0.000 1.328 335 D HN 0.617 nan 8.370 nan 0.000 0.584 336 T N -0.440 114.128 114.554 0.024 0.000 3.105 336 T HA 0.048 4.398 4.350 0.000 0.000 0.253 336 T C 1.407 176.091 174.700 -0.027 0.000 1.047 336 T CA 0.526 62.547 62.100 -0.132 0.000 0.944 336 T CB -0.115 68.650 68.868 -0.170 0.000 1.016 336 T HN 0.324 nan 8.240 nan 0.000 0.544 337 T N -0.195 114.386 114.554 0.046 0.000 3.160 337 T HA 0.221 4.571 4.350 0.000 0.000 0.257 337 T C 0.898 175.625 174.700 0.045 0.000 1.147 337 T CA -0.247 61.888 62.100 0.058 0.000 1.064 337 T CB -0.329 68.583 68.868 0.073 0.000 0.949 337 T HN 0.377 nan 8.240 nan 0.000 0.526 338 R N 1.385 121.904 120.500 0.032 0.000 2.629 338 R HA 0.302 4.642 4.340 0.000 0.000 0.277 338 R C 0.216 176.559 176.300 0.072 0.000 1.637 338 R CA -0.042 56.086 56.100 0.046 0.000 1.663 338 R CB 0.905 31.225 30.300 0.033 0.000 1.228 338 R HN 0.417 nan 8.270 nan 0.000 0.632 339 S N -1.646 114.059 115.700 0.007 0.000 2.663 339 S HA 0.001 4.471 4.470 0.000 0.000 0.243 339 S C 0.659 175.187 174.600 -0.120 0.000 1.009 339 S CA -0.576 57.555 58.200 -0.115 0.000 0.988 339 S CB 0.274 63.381 63.200 -0.154 0.000 0.896 339 S HN 0.324 nan 8.310 nan 0.000 0.502 340 T N 2.078 116.636 114.554 0.006 0.000 2.871 340 T HA 0.181 4.531 4.350 0.000 0.000 0.296 340 T C -0.284 174.434 174.700 0.030 0.000 0.998 340 T CA -0.240 61.871 62.100 0.019 0.000 1.162 340 T CB -0.291 68.605 68.868 0.046 0.000 0.947 340 T HN 0.441 nan 8.240 nan 0.000 0.536 341 N N 2.864 121.558 118.700 -0.010 0.000 2.469 341 N HA 0.339 5.079 4.740 0.000 0.000 0.253 341 N C -0.173 175.351 175.510 0.023 0.000 0.970 341 N CA -0.739 52.308 53.050 -0.005 0.000 0.940 341 N CB 0.958 39.398 38.487 -0.079 0.000 1.128 341 N HN 0.520 nan 8.380 nan 0.000 0.503 342 L N 1.723 122.975 121.223 0.048 0.000 2.514 342 L HA 0.056 4.396 4.340 0.000 0.000 0.280 342 L C 0.504 177.395 176.870 0.036 0.000 1.223 342 L CA 0.383 55.248 54.840 0.041 0.000 0.864 342 L CB -0.016 42.069 42.059 0.042 0.000 1.118 342 L HN 0.448 nan 8.230 nan 0.000 0.494 343 T N 4.307 118.887 114.554 0.043 0.000 2.770 343 T HA 0.661 5.011 4.350 0.000 0.000 0.283 343 T C -0.207 174.539 174.700 0.077 0.000 0.988 343 T CA -0.287 61.847 62.100 0.058 0.000 0.957 343 T CB 0.951 69.848 68.868 0.048 0.000 0.930 343 T HN 0.250 nan 8.240 nan 0.000 0.443 344 I N 2.992 123.632 120.570 0.115 0.000 2.646 344 I HA 0.715 4.885 4.170 0.000 0.000 0.299 344 I C -0.276 175.970 176.117 0.216 0.000 1.036 344 I CA -0.754 60.624 61.300 0.130 0.000 1.074 344 I CB 1.958 40.011 38.000 0.088 0.000 1.258 344 I HN 0.792 nan 8.210 nan 0.000 0.430 345 C N 3.083 122.505 119.300 0.204 0.000 3.006 345 C HA 0.952 5.412 4.460 0.000 0.000 0.359 345 C C -0.521 174.619 174.990 0.250 0.000 1.103 345 C CA -0.689 58.498 59.018 0.283 0.000 1.286 345 C CB 0.417 28.320 27.740 0.273 0.000 1.694 345 C HN 1.002 nan 8.230 nan 0.000 0.511 346 A N 2.488 125.454 122.820 0.244 0.000 2.380 346 A HA 0.983 5.303 4.320 0.000 0.000 0.315 346 A C 0.047 177.654 177.584 0.039 0.000 1.101 346 A CA 0.076 52.189 52.037 0.126 0.000 0.771 346 A CB 1.400 20.437 19.000 0.063 0.000 1.287 346 A HN 2.146 nan 8.150 nan 0.000 0.436 347 S N 0.079 115.689 115.700 -0.150 0.000 2.646 347 S HA 0.441 4.911 4.470 0.000 0.000 0.276 347 S C 0.689 175.146 174.600 -0.239 0.000 1.222 347 S CA 0.278 58.207 58.200 -0.452 0.000 1.014 347 S CB 1.128 63.926 63.200 -0.671 0.000 0.991 347 S HN 0.608 nan 8.310 nan 0.000 0.533 348 T N 1.095 115.496 114.554 -0.255 0.000 2.896 348 T HA 0.032 4.382 4.350 0.000 0.000 0.263 348 T C 0.510 175.138 174.700 -0.120 0.000 1.050 348 T CA 0.942 62.962 62.100 -0.134 0.000 1.140 348 T CB -0.189 68.614 68.868 -0.109 0.000 0.877 348 T HN 0.568 nan 8.240 nan 0.000 0.457 349 Q N 1.055 120.759 119.800 -0.161 0.000 2.299 349 Q HA 0.343 4.683 4.340 0.000 0.000 0.246 349 Q C 1.261 177.204 176.000 -0.096 0.000 0.935 349 Q CA -0.065 55.672 55.803 -0.111 0.000 0.887 349 Q CB 1.342 30.014 28.738 -0.110 0.000 1.223 349 Q HN 0.124 nan 8.270 nan 0.000 0.439 350 S N 2.021 117.685 115.700 -0.059 0.000 2.348 350 S HA -0.022 4.448 4.470 0.000 0.000 0.219 350 S C -0.844 173.735 174.600 -0.035 0.000 1.033 350 S CA 0.575 58.749 58.200 -0.043 0.000 0.974 350 S CB -0.694 62.489 63.200 -0.028 0.000 0.868 350 S HN 0.481 nan 8.310 nan 0.000 0.459 351 P HA 0.125 nan 4.420 nan 0.000 0.228 351 P C -0.325 176.969 177.300 -0.009 0.000 1.151 351 P CA 0.505 63.596 63.100 -0.014 0.000 0.770 351 P CB -0.079 31.615 31.700 -0.010 0.000 0.786 352 V N -0.993 118.903 119.914 -0.029 0.000 4.959 352 V HA -0.118 4.002 4.120 0.000 0.000 0.370 352 V C -1.918 174.190 176.094 0.023 0.000 0.656 352 V CA -0.942 61.348 62.300 -0.017 0.000 1.480 352 V CB -2.244 29.592 31.823 0.023 0.000 1.789 352 V HN 0.304 nan 8.190 nan 0.000 0.474 353 P HA 0.072 nan 4.420 nan 0.000 0.264 353 P C 1.175 178.532 177.300 0.094 0.000 1.173 353 P CA 0.951 64.077 63.100 0.044 0.000 0.761 353 P CB 0.802 32.517 31.700 0.026 0.000 0.794 354 G N 1.256 110.101 108.800 0.076 0.000 3.026 354 G HA2 -0.030 3.930 3.960 0.000 0.000 0.208 354 G HA3 -0.030 3.930 3.960 0.000 0.000 0.208 354 G C 0.532 175.492 174.900 0.101 0.000 1.169 354 G CA 0.204 45.355 45.100 0.085 0.000 0.788 354 G HN 0.563 nan 8.290 nan 0.000 0.533 355 Q N -0.065 119.802 119.800 0.111 0.000 2.331 355 Q HA 0.459 4.799 4.340 0.000 0.000 0.267 355 Q C -1.408 174.697 176.000 0.174 0.000 1.006 355 Q CA -1.143 54.732 55.803 0.120 0.000 0.818 355 Q CB 1.163 29.946 28.738 0.074 0.000 1.276 355 Q HN 0.225 nan 8.270 nan 0.000 0.450 356 Y N 2.998 123.345 120.300 0.079 0.000 2.425 356 Y HA 0.422 4.972 4.550 0.000 0.000 0.331 356 Y C -0.849 175.108 175.900 0.095 0.000 1.157 356 Y CA 0.367 58.521 58.100 0.090 0.000 1.372 356 Y CB 0.912 39.380 38.460 0.012 0.000 1.253 356 Y HN 0.684 nan 8.280 nan 0.000 0.536 357 D N 4.502 124.449 120.400 -0.755 0.000 2.452 357 D HA 0.299 4.939 4.640 0.000 0.000 0.226 357 D C 0.304 176.279 176.300 -0.540 0.000 1.366 357 D CA 0.182 53.864 54.000 -0.529 0.000 0.986 357 D CB 1.141 41.847 40.800 -0.156 0.000 1.420 357 D HN 0.719 nan 8.370 nan 0.000 0.583 358 A N 2.514 124.972 122.820 -0.604 0.000 1.971 358 A HA -0.245 4.075 4.320 0.000 0.000 0.222 358 A C 2.021 179.596 177.584 -0.015 0.000 1.182 358 A CA 2.792 54.687 52.037 -0.236 0.000 0.649 358 A CB -1.029 17.936 19.000 -0.059 0.000 0.818 358 A HN 0.700 nan 8.150 nan 0.000 0.458 359 T N -2.135 112.402 114.554 -0.029 0.000 2.929 359 T HA -0.076 4.274 4.350 0.000 0.000 0.271 359 T C 1.297 176.015 174.700 0.031 0.000 1.085 359 T CA 1.528 63.632 62.100 0.007 0.000 1.125 359 T CB -0.374 68.486 68.868 -0.014 0.000 0.874 359 T HN 0.583 nan 8.240 nan 0.000 0.494 360 K N 0.475 120.909 120.400 0.056 0.000 2.504 360 K HA 0.300 4.620 4.320 0.000 0.000 0.199 360 K C -0.931 175.560 176.600 -0.182 0.000 1.028 360 K CA -0.143 56.115 56.287 -0.050 0.000 1.164 360 K CB 0.001 32.431 32.500 -0.118 0.000 0.877 360 K HN 0.366 nan 8.250 nan 0.000 0.508 361 F N 0.681 120.612 119.950 -0.031 0.000 2.569 361 F HA 0.350 4.877 4.527 0.000 0.000 0.312 361 F C -0.102 175.710 175.800 0.020 0.000 1.109 361 F CA -1.053 56.957 58.000 0.017 0.000 0.919 361 F CB 1.699 40.723 39.000 0.040 0.000 1.211 361 F HN -0.360 nan 8.300 nan 0.000 0.446 362 K N 1.926 122.450 120.400 0.207 0.000 2.185 362 K HA 0.467 4.787 4.320 0.000 0.000 0.269 362 K C -0.909 175.757 176.600 0.110 0.000 0.987 362 K CA -0.990 55.356 56.287 0.098 0.000 0.865 362 K CB 1.745 34.326 32.500 0.135 0.000 1.090 362 K HN 0.492 nan 8.250 nan 0.000 0.450 363 Q N 2.214 121.971 119.800 -0.073 0.000 2.290 363 Q HA 0.324 4.664 4.340 0.000 0.000 0.259 363 Q C -1.631 174.247 176.000 -0.203 0.000 0.941 363 Q CA -0.214 55.580 55.803 -0.016 0.000 0.912 363 Q CB 0.808 29.547 28.738 0.002 0.000 1.244 363 Q HN 0.363 nan 8.270 nan 0.000 0.441 364 Y N -0.048 120.283 120.300 0.051 0.000 2.562 364 Y HA 0.675 5.225 4.550 0.000 0.000 0.343 364 Y C -0.121 175.780 175.900 0.000 0.000 1.025 364 Y CA -0.923 57.193 58.100 0.027 0.000 1.082 364 Y CB 2.500 40.973 38.460 0.022 0.000 1.264 364 Y HN 0.441 nan 8.280 nan 0.000 0.478 365 S N 2.303 118.072 115.700 0.115 0.000 2.605 365 S HA 0.696 5.166 4.470 0.000 0.000 0.308 365 S C -1.248 173.318 174.600 -0.056 0.000 1.113 365 S CA -0.741 57.452 58.200 -0.011 0.000 1.049 365 S CB 0.291 63.419 63.200 -0.120 0.000 1.001 365 S HN 0.518 nan 8.310 nan 0.000 0.480 366 R N 2.766 123.251 120.500 -0.026 0.000 2.686 366 R HA 0.427 4.767 4.340 0.000 0.000 0.283 366 R C -1.054 175.276 176.300 0.050 0.000 0.978 366 R CA -0.647 55.445 56.100 -0.014 0.000 0.897 366 R CB 1.449 31.751 30.300 0.003 0.000 1.192 366 R HN 0.854 nan 8.270 nan 0.000 0.457 367 H N 0.920 119.946 119.070 -0.074 0.000 2.637 367 H HA 0.573 5.129 4.556 0.000 0.000 0.363 367 H C -1.039 174.285 175.328 -0.006 0.000 1.131 367 H CA -0.840 55.183 56.048 -0.042 0.000 1.183 367 H CB 1.991 31.723 29.762 -0.049 0.000 1.637 367 H HN 0.178 nan 8.280 nan 0.000 0.531 368 V N 3.321 123.016 119.914 -0.366 0.000 2.769 368 V HA 0.251 4.371 4.120 0.000 0.000 0.312 368 V C -0.480 175.335 176.094 -0.465 0.000 1.058 368 V CA -0.678 61.440 62.300 -0.304 0.000 0.952 368 V CB 1.782 33.540 31.823 -0.108 0.000 1.019 368 V HN 0.733 nan 8.190 nan 0.000 0.445 369 E N 1.962 122.054 120.200 -0.179 0.000 2.265 369 E HA 0.421 4.771 4.350 0.000 0.000 0.262 369 E C -1.121 175.546 176.600 0.112 0.000 0.889 369 E CA -0.323 56.060 56.400 -0.028 0.000 0.789 369 E CB 1.655 31.439 29.700 0.140 0.000 1.221 369 E HN 0.748 nan 8.360 nan 0.000 0.414 370 E N 3.982 124.172 120.200 -0.016 0.000 2.185 370 E HA 0.356 4.706 4.350 0.000 0.000 0.261 370 E C -1.220 175.275 176.600 -0.175 0.000 0.879 370 E CA -0.515 55.880 56.400 -0.007 0.000 0.756 370 E CB 0.724 30.393 29.700 -0.053 0.000 1.152 370 E HN 0.421 nan 8.360 nan 0.000 0.416 371 Y N 1.578 121.819 120.300 -0.098 0.000 2.686 371 Y HA 0.483 5.033 4.550 0.000 0.000 0.330 371 Y C -0.265 175.491 175.900 -0.240 0.000 1.082 371 Y CA -0.754 57.223 58.100 -0.206 0.000 1.158 371 Y CB 1.795 40.078 38.460 -0.296 0.000 1.333 371 Y HN 0.435 nan 8.280 nan 0.000 0.519 372 D N 0.990 121.315 120.400 -0.125 0.000 2.400 372 D HA 0.196 4.836 4.640 0.000 0.000 0.197 372 D C -2.094 174.037 176.300 -0.281 0.000 1.295 372 D CA -0.157 53.731 54.000 -0.186 0.000 0.878 372 D CB 0.722 41.444 40.800 -0.131 0.000 1.659 372 D HN 0.529 nan 8.370 nan 0.000 0.546 373 L N 2.344 123.353 121.223 -0.356 0.000 2.322 373 L HA 0.542 4.882 4.340 0.000 0.000 0.279 373 L C 0.202 176.782 176.870 -0.482 0.000 1.036 373 L CA -0.621 53.926 54.840 -0.487 0.000 0.807 373 L CB 1.785 43.581 42.059 -0.439 0.000 1.226 373 L HN 0.278 nan 8.230 nan 0.000 0.433 374 Q N 2.692 122.015 119.800 -0.796 0.000 2.331 374 Q HA 0.655 4.995 4.340 0.000 0.000 0.272 374 Q C -1.651 173.721 176.000 -1.046 0.000 1.062 374 Q CA -0.534 54.868 55.803 -0.668 0.000 0.806 374 Q CB 2.918 31.423 28.738 -0.387 0.000 1.312 374 Q HN 0.362 nan 8.270 nan 0.000 0.431 375 F N 0.940 120.482 119.950 -0.680 0.000 2.650 375 F HA 0.599 5.126 4.527 0.000 0.000 0.320 375 F C -0.532 174.719 175.800 -0.915 0.000 1.091 375 F CA -1.072 56.446 58.000 -0.804 0.000 0.962 375 F CB 1.451 39.813 39.000 -1.062 0.000 1.363 375 F HN 0.275 nan 8.300 nan 0.000 0.482 376 I N 2.361 122.536 120.570 -0.658 0.000 2.468 376 I HA 0.313 4.483 4.170 0.000 0.000 0.284 376 I C -1.086 174.683 176.117 -0.580 0.000 1.038 376 I CA -0.697 60.267 61.300 -0.559 0.000 1.083 376 I CB 0.979 38.663 38.000 -0.526 0.000 1.223 376 I HN 0.403 nan 8.210 nan 0.000 0.443 377 F N 3.924 123.744 119.950 -0.217 0.000 2.440 377 F HA 0.518 5.045 4.527 0.000 0.000 0.328 377 F C 0.639 176.521 175.800 0.138 0.000 1.070 377 F CA -0.552 57.379 58.000 -0.115 0.000 1.011 377 F CB 1.461 40.223 39.000 -0.396 0.000 1.226 377 F HN 0.378 nan 8.300 nan 0.000 0.491 378 Q N 2.314 122.359 119.800 0.409 0.000 2.340 378 Q HA 0.470 4.810 4.340 0.000 0.000 0.268 378 Q C -1.645 174.534 176.000 0.298 0.000 1.031 378 Q CA -1.155 54.770 55.803 0.204 0.000 0.804 378 Q CB 2.066 30.826 28.738 0.036 0.000 1.286 378 Q HN 0.696 nan 8.270 nan 0.000 0.448 379 L N 3.845 125.190 121.223 0.203 0.000 2.360 379 L HA 0.359 4.699 4.340 0.000 0.000 0.276 379 L C -1.347 175.437 176.870 -0.143 0.000 1.121 379 L CA 0.334 55.161 54.840 -0.021 0.000 0.845 379 L CB 0.608 42.623 42.059 -0.074 0.000 1.143 379 L HN 0.807 nan 8.230 nan 0.000 0.452 380 C N 2.336 121.504 119.300 -0.220 0.000 2.707 380 C HA 0.831 5.291 4.460 0.000 0.000 0.313 380 C C 0.146 174.997 174.990 -0.231 0.000 1.209 380 C CA -0.576 58.332 59.018 -0.183 0.000 1.635 380 C CB 1.840 29.497 27.740 -0.138 0.000 2.206 380 C HN 0.889 nan 8.230 nan 0.000 0.485 381 T N -0.588 113.873 114.554 -0.155 0.000 2.885 381 T HA 0.818 5.168 4.350 0.000 0.000 0.285 381 T C -0.958 173.716 174.700 -0.043 0.000 1.019 381 T CA -0.457 61.561 62.100 -0.138 0.000 1.010 381 T CB 0.972 69.792 68.868 -0.080 0.000 1.022 381 T HN 0.462 nan 8.240 nan 0.000 0.466 382 I N 2.261 122.809 120.570 -0.037 0.000 2.448 382 I HA 0.238 4.408 4.170 0.000 0.000 0.281 382 I C 0.106 176.245 176.117 0.037 0.000 1.027 382 I CA -0.562 60.782 61.300 0.073 0.000 1.111 382 I CB 1.903 40.019 38.000 0.194 0.000 1.236 382 I HN 0.721 nan 8.210 nan 0.000 0.452 383 T N 7.238 121.829 114.554 0.061 0.000 2.751 383 T HA 0.257 4.607 4.350 0.000 0.000 0.290 383 T C 0.418 175.148 174.700 0.050 0.000 0.919 383 T CA -0.142 61.982 62.100 0.040 0.000 1.136 383 T CB -0.120 68.771 68.868 0.039 0.000 0.875 383 T HN 0.285 nan 8.240 nan 0.000 0.532 384 L N 5.339 126.581 121.223 0.031 0.000 2.536 384 L HA 0.213 4.553 4.340 0.000 0.000 0.282 384 L C 1.417 178.309 176.870 0.037 0.000 1.147 384 L CA -0.407 54.464 54.840 0.051 0.000 0.936 384 L CB -0.480 41.609 42.059 0.051 0.000 1.279 384 L HN 0.730 nan 8.230 nan 0.000 0.461 385 T N -0.509 114.068 114.554 0.038 0.000 2.919 385 T HA 0.643 4.993 4.350 0.000 0.000 0.282 385 T C 1.146 175.861 174.700 0.024 0.000 1.020 385 T CA -0.105 62.010 62.100 0.025 0.000 0.994 385 T CB 1.818 70.698 68.868 0.021 0.000 1.180 385 T HN 0.395 nan 8.240 nan 0.000 0.566 386 A N 1.746 124.577 122.820 0.018 0.000 1.908 386 A HA -0.199 4.121 4.320 0.000 0.000 0.211 386 A C 1.900 179.494 177.584 0.018 0.000 1.225 386 A CA 2.661 54.708 52.037 0.016 0.000 0.689 386 A CB -1.867 17.140 19.000 0.012 0.000 0.843 386 A HN 1.058 nan 8.150 nan 0.000 0.472 387 D N -0.304 120.105 120.400 0.015 0.000 2.172 387 D HA -0.163 4.477 4.640 0.000 0.000 0.196 387 D C 1.524 177.836 176.300 0.020 0.000 0.999 387 D CA 1.629 55.641 54.000 0.020 0.000 0.856 387 D CB -1.065 39.743 40.800 0.013 0.000 0.934 387 D HN 0.192 nan 8.370 nan 0.000 0.453 388 V N 0.261 120.173 119.914 -0.003 0.000 2.252 388 V HA -0.332 3.788 4.120 0.000 0.000 0.249 388 V C 2.662 178.764 176.094 0.013 0.000 1.056 388 V CA 2.203 64.483 62.300 -0.033 0.000 1.022 388 V CB -0.577 31.247 31.823 0.002 0.000 0.641 388 V HN 0.238 nan 8.190 nan 0.000 0.445 389 M N 0.548 120.168 119.600 0.035 0.000 2.086 389 M HA -0.166 4.314 4.480 0.000 0.000 0.261 389 M C 2.437 178.738 176.300 0.002 0.000 1.067 389 M CA 2.271 57.592 55.300 0.035 0.000 1.116 389 M CB -0.429 32.197 32.600 0.043 0.000 1.348 389 M HN 0.590 nan 8.290 nan 0.000 0.407 390 S N -0.683 115.023 115.700 0.010 0.000 2.419 390 S HA -0.207 4.263 4.470 0.000 0.000 0.233 390 S C 1.728 176.319 174.600 -0.014 0.000 1.016 390 S CA 1.077 59.273 58.200 -0.006 0.000 0.974 390 S CB -0.939 62.265 63.200 0.007 0.000 0.786 390 S HN 0.590 nan 8.310 nan 0.000 0.492 391 Y N 2.426 122.656 120.300 -0.116 0.000 2.153 391 Y HA 0.115 4.665 4.550 0.000 0.000 0.289 391 Y C 2.000 177.784 175.900 -0.195 0.000 1.127 391 Y CA 1.233 59.247 58.100 -0.143 0.000 1.131 391 Y CB -0.338 37.993 38.460 -0.215 0.000 0.995 391 Y HN 0.172 nan 8.280 nan 0.000 0.505 392 I N 0.421 120.931 120.570 -0.099 0.000 2.454 392 I HA -0.268 3.902 4.170 0.000 0.000 0.254 392 I C 2.241 178.170 176.117 -0.315 0.000 1.156 392 I CA 1.402 62.539 61.300 -0.272 0.000 1.433 392 I CB -0.463 37.418 38.000 -0.198 0.000 1.082 392 I HN 0.331 nan 8.210 nan 0.000 0.432 393 Q N 1.245 120.920 119.800 -0.207 0.000 2.050 393 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 393 Q C 2.299 178.177 176.000 -0.203 0.000 0.980 393 Q CA 2.278 57.975 55.803 -0.176 0.000 0.840 393 Q CB -0.106 28.569 28.738 -0.106 0.000 0.898 393 Q HN 0.370 nan 8.270 nan 0.000 0.424 394 S N -0.127 115.439 115.700 -0.223 0.000 2.368 394 S HA -0.128 4.342 4.470 0.000 0.000 0.224 394 S C 1.784 176.242 174.600 -0.238 0.000 1.029 394 S CA 1.287 59.369 58.200 -0.196 0.000 0.988 394 S CB -0.347 62.743 63.200 -0.183 0.000 0.838 394 S HN 0.517 nan 8.310 nan 0.000 0.462 395 M N 1.184 120.508 119.600 -0.459 0.000 2.059 395 M HA -0.055 4.425 4.480 0.000 0.000 0.259 395 M C 0.400 176.350 176.300 -0.583 0.000 1.072 395 M CA 1.558 56.395 55.300 -0.773 0.000 1.117 395 M CB 0.077 32.047 32.600 -1.050 0.000 1.320 395 M HN 0.264 nan 8.290 nan 0.000 0.408 396 N N -0.331 118.084 118.700 -0.474 0.000 3.151 396 N HA 0.048 4.788 4.740 0.000 0.000 0.219 396 N C 0.424 175.762 175.510 -0.287 0.000 1.434 396 N CA 0.317 53.165 53.050 -0.337 0.000 0.767 396 N CB 0.765 39.049 38.487 -0.338 0.000 1.564 396 N HN 0.318 nan 8.380 nan 0.000 0.612 397 S N 0.769 116.339 115.700 -0.217 0.000 2.389 397 S HA -0.299 4.171 4.470 0.000 0.000 0.231 397 S C 1.923 176.409 174.600 -0.189 0.000 1.052 397 S CA 2.041 60.129 58.200 -0.185 0.000 1.053 397 S CB -0.658 62.464 63.200 -0.129 0.000 0.886 397 S HN 0.637 nan 8.310 nan 0.000 0.456 398 S N 2.241 117.857 115.700 -0.140 0.000 2.440 398 S HA -0.037 4.433 4.470 0.000 0.000 0.240 398 S C 1.732 176.198 174.600 -0.223 0.000 1.014 398 S CA 1.275 59.424 58.200 -0.084 0.000 0.980 398 S CB -0.977 62.251 63.200 0.046 0.000 0.775 398 S HN 0.652 nan 8.310 nan 0.000 0.499 399 I N 1.172 121.502 120.570 -0.401 0.000 2.202 399 I HA -0.129 4.041 4.170 0.000 0.000 0.242 399 I C 2.420 177.952 176.117 -0.976 0.000 1.091 399 I CA 1.213 62.017 61.300 -0.828 0.000 1.368 399 I CB -0.433 37.041 38.000 -0.876 0.000 1.058 399 I HN 0.277 nan 8.210 nan 0.000 0.410 400 L N 0.368 121.232 121.223 -0.598 0.000 2.083 400 L HA -0.200 4.140 4.340 0.000 0.000 0.209 400 L C 2.510 179.284 176.870 -0.159 0.000 1.083 400 L CA 1.288 55.942 54.840 -0.309 0.000 0.752 400 L CB -0.509 41.473 42.059 -0.128 0.000 0.899 400 L HN 0.275 nan 8.230 nan 0.000 0.433 401 E N 0.199 120.291 120.200 -0.180 0.000 2.023 401 E HA -0.256 4.094 4.350 0.000 0.000 0.196 401 E C 1.753 178.316 176.600 -0.062 0.000 1.003 401 E CA 1.700 58.047 56.400 -0.090 0.000 0.809 401 E CB -0.021 29.630 29.700 -0.082 0.000 0.755 401 E HN 0.457 nan 8.360 nan 0.000 0.449 402 D N -0.491 119.824 120.400 -0.142 0.000 2.182 402 D HA -0.151 4.489 4.640 0.000 0.000 0.201 402 D C 0.562 176.925 176.300 0.106 0.000 0.986 402 D CA 0.705 54.667 54.000 -0.063 0.000 0.847 402 D CB -0.156 40.547 40.800 -0.162 0.000 0.942 402 D HN 0.148 nan 8.370 nan 0.000 0.467 439 K N 0.687 121.083 120.400 -0.007 0.000 2.221 439 K HA 0.421 4.742 4.320 0.000 0.000 0.258 439 K C -1.271 175.307 176.600 -0.037 0.000 0.944 439 K CA -0.535 55.742 56.287 -0.017 0.000 0.823 439 K CB 1.203 33.687 32.500 -0.028 0.000 1.113 439 K HN 0.545 nan 8.250 nan 0.000 0.431 440 D N 2.883 123.264 120.400 -0.031 0.000 2.193 440 D HA 0.277 4.917 4.640 0.000 0.000 0.244 440 D C -1.583 174.632 176.300 -0.141 0.000 1.064 440 D CA -2.129 51.830 54.000 -0.069 0.000 0.845 440 D CB 1.249 42.071 40.800 0.036 0.000 1.148 440 D HN 0.227 nan 8.370 nan 0.000 0.464 441 P HA -0.106 nan 4.420 nan 0.000 0.236 441 P C -0.021 177.074 177.300 -0.341 0.000 1.172 441 P CA 0.952 63.795 63.100 -0.428 0.000 0.759 441 P CB -0.085 31.223 31.700 -0.654 0.000 0.843 442 Y N -1.142 119.204 120.300 0.077 0.000 2.500 442 Y HA 0.188 4.738 4.550 0.000 0.000 0.246 442 Y C 1.509 177.475 175.900 0.110 0.000 1.146 442 Y CA -0.613 57.577 58.100 0.149 0.000 1.230 442 Y CB -0.048 38.629 38.460 0.362 0.000 1.214 442 Y HN -0.148 nan 8.280 nan 0.000 0.526 443 D N 0.736 121.238 120.400 0.171 0.000 2.403 443 D HA -0.093 4.547 4.640 0.000 0.000 0.227 443 D C 1.591 177.915 176.300 0.040 0.000 0.995 443 D CA 0.852 54.914 54.000 0.104 0.000 0.928 443 D CB 0.181 41.019 40.800 0.063 0.000 0.887 443 D HN 0.250 nan 8.370 nan 0.000 0.529 444 K N -0.266 120.150 120.400 0.026 0.000 2.284 444 K HA 0.148 4.468 4.320 0.000 0.000 0.198 444 K C 0.926 177.476 176.600 -0.083 0.000 1.048 444 K CA 0.076 56.350 56.287 -0.021 0.000 0.987 444 K CB 0.649 33.141 32.500 -0.013 0.000 0.800 444 K HN 0.197 nan 8.250 nan 0.000 0.486 445 L N 1.770 122.905 121.223 -0.146 0.000 2.399 445 L HA 0.220 4.560 4.340 0.000 0.000 0.265 445 L C 0.401 176.927 176.870 -0.573 0.000 1.089 445 L CA -0.748 53.862 54.840 -0.383 0.000 0.802 445 L CB 0.521 42.258 42.059 -0.537 0.000 1.180 445 L HN -0.281 nan 8.230 nan 0.000 0.454 446 K N 2.584 122.646 120.400 -0.562 0.000 2.248 446 K HA 0.521 4.841 4.320 0.000 0.000 0.281 446 K C -0.949 175.376 176.600 -0.459 0.000 1.054 446 K CA 0.199 56.248 56.287 -0.396 0.000 0.903 446 K CB 0.772 33.154 32.500 -0.196 0.000 1.077 446 K HN 0.342 nan 8.250 nan 0.000 0.474 447 F N 0.273 120.247 119.950 0.040 0.000 2.650 447 F HA 0.340 4.867 4.527 0.000 0.000 0.320 447 F C -0.169 175.697 175.800 0.111 0.000 1.091 447 F CA -1.253 56.786 58.000 0.065 0.000 0.962 447 F CB 1.652 40.698 39.000 0.077 0.000 1.363 447 F HN 0.376 nan 8.300 nan 0.000 0.482 448 W N 4.177 125.559 121.300 0.136 0.000 2.309 448 W HA 0.321 4.981 4.660 0.000 0.000 0.332 448 W C -0.927 175.667 176.519 0.125 0.000 0.962 448 W CA -1.235 56.153 57.345 0.072 0.000 1.497 448 W CB 0.190 29.624 29.460 -0.043 0.000 1.308 448 W HN 0.401 nan 8.180 nan 0.000 0.384 449 N N 3.939 122.906 118.700 0.445 0.000 2.440 449 N HA 0.045 4.785 4.740 0.000 0.000 0.265 449 N C -0.760 174.927 175.510 0.294 0.000 1.239 449 N CA 0.308 53.522 53.050 0.274 0.000 0.909 449 N CB 1.739 40.333 38.487 0.178 0.000 1.066 449 N HN 0.061 nan 8.380 nan 0.000 0.474 450 V N 2.542 122.541 119.914 0.142 0.000 2.325 450 V HA 0.073 4.193 4.120 0.000 0.000 0.280 450 V C 0.080 176.183 176.094 0.015 0.000 1.016 450 V CA -0.885 61.462 62.300 0.077 0.000 0.818 450 V CB 1.522 33.332 31.823 -0.022 0.000 1.019 450 V HN 0.548 nan 8.190 nan 0.000 0.434 451 D N 4.752 125.173 120.400 0.035 0.000 2.295 451 D HA 0.298 4.938 4.640 0.000 0.000 0.248 451 D C 0.349 176.652 176.300 0.006 0.000 1.154 451 D CA -0.110 53.893 54.000 0.005 0.000 0.857 451 D CB 1.704 42.517 40.800 0.023 0.000 1.117 451 D HN 0.470 nan 8.370 nan 0.000 0.468 452 L N 3.751 124.963 121.223 -0.019 0.000 2.959 452 L HA 0.155 4.495 4.340 0.000 0.000 0.259 452 L C 1.961 178.850 176.870 0.031 0.000 1.185 452 L CA -0.235 54.628 54.840 0.037 0.000 0.998 452 L CB 0.311 42.408 42.059 0.063 0.000 1.337 452 L HN 0.204 nan 8.230 nan 0.000 0.555 453 K N 0.612 120.970 120.400 -0.070 0.000 2.281 453 K HA -0.114 4.206 4.320 0.000 0.000 0.203 453 K C 0.743 177.314 176.600 -0.049 0.000 1.046 453 K CA 0.933 57.125 56.287 -0.159 0.000 0.938 453 K CB 0.163 32.594 32.500 -0.115 0.000 0.737 453 K HN 0.209 nan 8.250 nan 0.000 0.458 454 E N 0.288 120.515 120.200 0.044 0.000 2.496 454 E HA 0.067 4.417 4.350 0.000 0.000 0.202 454 E C 0.261 176.951 176.600 0.150 0.000 1.021 454 E CA 0.158 56.618 56.400 0.100 0.000 1.015 454 E CB 0.713 30.464 29.700 0.085 0.000 1.102 454 E HN 0.177 nan 8.360 nan 0.000 0.452 455 K N -0.036 120.484 120.400 0.200 0.000 2.477 455 K HA 0.192 4.512 4.320 0.000 0.000 0.208 455 K C 0.152 176.892 176.600 0.234 0.000 1.117 455 K CA -0.326 56.077 56.287 0.194 0.000 1.039 455 K CB 0.689 33.261 32.500 0.120 0.000 0.937 455 K HN -0.054 nan 8.250 nan 0.000 0.570 456 F N 1.915 121.882 119.950 0.029 0.000 2.471 456 F HA 0.176 4.703 4.527 0.000 0.000 0.353 456 F C 0.958 176.925 175.800 0.278 0.000 1.113 456 F CA -0.017 58.051 58.000 0.113 0.000 1.262 456 F CB 1.043 40.039 39.000 -0.008 0.000 1.146 456 F HN -0.232 nan 8.300 nan 0.000 0.578 457 S N 3.092 119.005 115.700 0.355 0.000 2.546 457 S HA 0.510 4.980 4.470 0.000 0.000 0.274 457 S C 0.274 174.911 174.600 0.061 0.000 1.121 457 S CA -0.689 57.652 58.200 0.235 0.000 0.887 457 S CB 1.055 64.340 63.200 0.142 0.000 1.094 457 S HN 0.650 nan 8.310 nan 0.000 0.474 458 L N 1.611 122.794 121.223 -0.066 0.000 2.307 458 L HA 0.183 4.523 4.340 0.000 0.000 0.211 458 L C -0.058 176.771 176.870 -0.068 0.000 1.099 458 L CA 0.488 55.160 54.840 -0.280 0.000 0.816 458 L CB -0.039 41.850 42.059 -0.283 0.000 0.952 458 L HN 0.680 nan 8.230 nan 0.000 0.455 459 D N 0.190 120.614 120.400 0.039 0.000 2.441 459 D HA 0.109 4.749 4.640 0.000 0.000 0.221 459 D C 1.133 177.516 176.300 0.138 0.000 1.156 459 D CA -0.205 53.840 54.000 0.074 0.000 0.896 459 D CB 0.531 41.369 40.800 0.063 0.000 1.028 459 D HN 0.058 nan 8.370 nan 0.000 0.509 460 L N 0.636 121.930 121.223 0.118 0.000 2.083 460 L HA -0.137 4.203 4.340 0.000 0.000 0.209 460 L C 1.888 178.841 176.870 0.138 0.000 1.083 460 L CA 1.040 55.969 54.840 0.149 0.000 0.752 460 L CB -0.437 41.717 42.059 0.158 0.000 0.899 460 L HN 0.334 nan 8.230 nan 0.000 0.433 461 D N 0.197 120.646 120.400 0.082 0.000 2.203 461 D HA -0.219 4.421 4.640 0.000 0.000 0.199 461 D C 2.156 178.444 176.300 -0.021 0.000 0.997 461 D CA 1.202 55.221 54.000 0.031 0.000 0.863 461 D CB 0.068 40.875 40.800 0.011 0.000 0.928 461 D HN 0.274 nan 8.370 nan 0.000 0.458 462 Q N -1.059 118.709 119.800 -0.053 0.000 2.472 462 Q HA -0.040 4.300 4.340 0.000 0.000 0.208 462 Q C -0.204 175.452 176.000 -0.574 0.000 0.958 462 Q CA 0.514 56.134 55.803 -0.305 0.000 0.932 462 Q CB 0.167 28.654 28.738 -0.418 0.000 1.007 462 Q HN 0.452 nan 8.270 nan 0.000 0.508 463 Y N -0.357 119.827 120.300 -0.194 0.000 2.499 463 Y HA 0.224 4.774 4.550 0.000 0.000 0.347 463 Y C -1.518 174.317 175.900 -0.108 0.000 0.987 463 Y CA -2.619 55.329 58.100 -0.252 0.000 1.044 463 Y CB 1.187 39.213 38.460 -0.722 0.000 1.245 463 Y HN -0.181 nan 8.280 nan 0.000 0.461 464 P HA -0.270 nan 4.420 nan 0.000 0.211 464 P C 1.754 179.128 177.300 0.124 0.000 1.181 464 P CA 1.724 64.870 63.100 0.076 0.000 0.929 464 P CB 0.531 32.264 31.700 0.055 0.000 0.789 465 L N -0.646 120.675 121.223 0.163 0.000 2.081 465 L HA -0.144 4.196 4.340 0.000 0.000 0.212 465 L C 2.686 179.724 176.870 0.280 0.000 1.080 465 L CA 2.088 57.038 54.840 0.183 0.000 0.754 465 L CB -1.317 40.805 42.059 0.105 0.000 0.893 465 L HN 0.069 nan 8.230 nan 0.000 0.433 466 G N -0.359 108.610 108.800 0.282 0.000 2.491 466 G HA2 -0.307 3.653 3.960 0.000 0.000 0.218 466 G HA3 -0.307 3.653 3.960 0.000 0.000 0.218 466 G C 1.566 176.595 174.900 0.214 0.000 1.180 466 G CA 0.910 46.160 45.100 0.249 0.000 0.774 466 G HN 0.354 nan 8.290 nan 0.000 0.562 467 R N 0.431 121.016 120.500 0.142 0.000 2.082 467 R HA -0.009 4.331 4.340 0.000 0.000 0.234 467 R C 2.685 179.039 176.300 0.089 0.000 1.136 467 R CA 1.557 57.708 56.100 0.084 0.000 0.935 467 R CB -0.365 29.963 30.300 0.047 0.000 0.842 467 R HN 0.267 nan 8.270 nan 0.000 0.430 468 K N -0.111 120.377 120.400 0.146 0.000 2.127 468 K HA -0.227 4.093 4.320 0.000 0.000 0.208 468 K C 1.933 178.625 176.600 0.153 0.000 1.047 468 K CA 1.694 58.098 56.287 0.194 0.000 0.927 468 K CB -0.326 32.358 32.500 0.306 0.000 0.716 468 K HN 0.100 nan 8.250 nan 0.000 0.450 469 F N 1.687 121.661 119.950 0.041 0.000 2.075 469 F HA -0.153 4.374 4.527 0.000 0.000 0.297 469 F C 1.796 177.372 175.800 -0.373 0.000 1.113 469 F CA 1.306 59.115 58.000 -0.319 0.000 1.218 469 F CB -0.374 38.530 39.000 -0.159 0.000 0.984 469 F HN -0.125 nan 8.300 nan 0.000 0.472 470 L N -0.520 120.540 121.223 -0.271 0.000 2.042 470 L HA -0.261 4.079 4.340 0.000 0.000 0.210 470 L C 2.356 179.016 176.870 -0.350 0.000 1.076 470 L CA 1.190 55.828 54.840 -0.337 0.000 0.749 470 L CB -0.963 41.039 42.059 -0.096 0.000 0.893 470 L HN 0.069 nan 8.230 nan 0.000 0.432 471 V N -0.472 119.293 119.914 -0.248 0.000 2.237 471 V HA -0.320 3.800 4.120 0.000 0.000 0.245 471 V C 2.517 178.435 176.094 -0.295 0.000 1.046 471 V CA 2.057 64.235 62.300 -0.203 0.000 1.007 471 V CB -0.724 31.033 31.823 -0.109 0.000 0.638 471 V HN 0.561 nan 8.190 nan 0.000 0.445 472 Q N 0.507 120.067 119.800 -0.401 0.000 2.152 472 Q HA -0.264 4.076 4.340 0.000 0.000 0.206 472 Q C 2.132 177.797 176.000 -0.557 0.000 0.985 472 Q CA 2.502 58.002 55.803 -0.505 0.000 0.863 472 Q CB -0.323 27.915 28.738 -0.834 0.000 0.904 472 Q HN 0.618 nan 8.270 nan 0.000 0.422 473 A N -0.028 122.361 122.820 -0.719 0.000 2.015 473 A HA 0.272 4.592 4.320 0.000 0.000 0.219 473 A C 1.121 178.494 177.584 -0.351 0.000 1.163 473 A CA 1.553 53.227 52.037 -0.604 0.000 0.646 473 A CB -0.540 17.975 19.000 -0.807 0.000 0.806 473 A HN 0.699 nan 8.150 nan 0.000 0.448 474 G N 0.000 108.616 108.800 -0.306 0.000 5.446 474 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 474 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 474 G CA 0.000 44.983 45.100 -0.194 0.000 0.502 474 G HN 0.000 nan 8.290 nan 0.000 0.925