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_H 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 LEDWNXXXXX 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 0.000 177.638 177.584 0.091 0.000 1.274 20 A CA 0.000 52.066 52.037 0.048 0.000 0.836 20 A CB 0.000 19.030 19.000 0.051 0.000 0.831 21 V N 1.770 121.696 119.914 0.021 0.000 2.732 21 V HA 0.545 4.665 4.120 0.000 0.000 0.297 21 V C 0.271 176.319 176.094 -0.077 0.000 1.060 21 V CA -0.237 62.079 62.300 0.026 0.000 1.038 21 V CB 1.426 33.163 31.823 -0.143 0.000 1.003 21 V HN 0.815 nan 8.190 nan 0.000 0.481 22 V N 2.733 122.694 119.914 0.078 0.000 2.823 22 V HA 0.389 4.509 4.120 0.000 0.000 0.312 22 V C 0.103 176.214 176.094 0.028 0.000 1.072 22 V CA -1.089 61.181 62.300 -0.049 0.000 0.937 22 V CB 1.991 33.794 31.823 -0.034 0.000 1.013 22 V HN 0.851 nan 8.190 nan 0.000 0.430 23 N N 2.296 121.006 118.700 0.016 0.000 2.438 23 N HA -0.032 4.709 4.740 0.000 0.000 0.267 23 N C 1.600 177.133 175.510 0.039 0.000 1.222 23 N CA 0.848 53.981 53.050 0.139 0.000 0.930 23 N CB 1.591 40.174 38.487 0.160 0.000 1.083 23 N HN 1.045 nan 8.380 nan 0.000 0.476 24 T N 0.531 115.080 114.554 -0.008 0.000 2.755 24 T HA -0.226 4.124 4.350 0.000 0.000 0.266 24 T C 0.846 175.288 174.700 -0.431 0.000 1.041 24 T CA 1.417 63.259 62.100 -0.431 0.000 1.147 24 T CB -0.067 68.673 68.868 -0.213 0.000 0.847 24 T HN 0.446 nan 8.240 nan 0.000 0.478 25 D N 1.350 121.653 120.400 -0.162 0.000 2.403 25 D HA -0.026 4.614 4.640 0.000 0.000 0.227 25 D C 1.156 177.412 176.300 -0.074 0.000 0.995 25 D CA 0.762 54.701 54.000 -0.102 0.000 0.928 25 D CB -0.222 40.562 40.800 -0.027 0.000 0.887 25 D HN 0.531 nan 8.370 nan 0.000 0.529 26 D N -1.044 119.311 120.400 -0.075 0.000 2.366 26 D HA -0.024 4.616 4.640 0.000 0.000 0.205 26 D C 1.126 177.483 176.300 0.096 0.000 1.022 26 D CA 0.354 54.368 54.000 0.023 0.000 0.868 26 D CB 0.207 41.047 40.800 0.068 0.000 0.953 26 D HN 0.476 nan 8.370 nan 0.000 0.514 27 Y N -2.253 118.054 120.300 0.011 0.000 2.672 27 Y HA 0.493 5.043 4.550 0.000 0.000 0.252 27 Y C -0.339 175.603 175.900 0.071 0.000 1.132 27 Y CA -0.520 57.594 58.100 0.025 0.000 1.228 27 Y CB 0.314 38.770 38.460 -0.006 0.000 1.310 27 Y HN -0.321 nan 8.280 nan 0.000 0.549 28 V N 2.344 122.183 119.914 -0.126 0.000 2.320 28 V HA 0.254 4.374 4.120 0.000 0.000 0.268 28 V C -0.102 175.951 176.094 -0.069 0.000 1.021 28 V CA -0.610 61.639 62.300 -0.084 0.000 0.813 28 V CB 0.731 32.426 31.823 -0.214 0.000 1.054 28 V HN 0.373 nan 8.190 nan 0.000 0.444 29 T N 4.856 119.396 114.554 -0.024 0.000 2.888 29 T HA 0.335 4.685 4.350 0.000 0.000 0.301 29 T C 0.338 175.008 174.700 -0.049 0.000 1.001 29 T CA -0.087 61.997 62.100 -0.026 0.000 1.147 29 T CB 0.505 69.369 68.868 -0.007 0.000 0.931 29 T HN 0.496 nan 8.240 nan 0.000 0.541 30 R N 1.590 122.064 120.500 -0.043 0.000 2.486 30 R HA 0.519 4.859 4.340 0.000 0.000 0.286 30 R C 1.139 177.402 176.300 -0.062 0.000 0.999 30 R CA -0.695 55.369 56.100 -0.059 0.000 0.993 30 R CB 1.050 31.331 30.300 -0.033 0.000 1.084 30 R HN 0.822 nan 8.270 nan 0.000 0.487 31 T N -2.144 112.347 114.554 -0.106 0.000 2.920 31 T HA 0.184 4.534 4.350 0.000 0.000 0.292 31 T C 0.921 175.532 174.700 -0.148 0.000 1.093 31 T CA -0.413 61.628 62.100 -0.098 0.000 0.944 31 T CB 0.903 69.712 68.868 -0.099 0.000 1.605 31 T HN 0.525 nan 8.240 nan 0.000 0.590 32 S N -1.067 114.563 115.700 -0.117 0.000 2.749 32 S HA 0.359 4.829 4.470 0.000 0.000 0.246 32 S C -0.291 174.240 174.600 -0.114 0.000 1.023 32 S CA -0.618 57.538 58.200 -0.075 0.000 1.012 32 S CB -0.602 62.648 63.200 0.083 0.000 0.942 32 S HN 0.481 nan 8.310 nan 0.000 0.531 33 I N 2.856 123.298 120.570 -0.213 0.000 2.297 33 I HA 0.477 4.647 4.170 0.000 0.000 0.291 33 I C -0.809 175.255 176.117 -0.089 0.000 1.033 33 I CA -0.493 60.796 61.300 -0.019 0.000 1.253 33 I CB -0.037 38.045 38.000 0.138 0.000 1.396 33 I HN 0.165 nan 8.210 nan 0.000 0.476 34 F N 5.772 125.860 119.950 0.231 0.000 2.522 34 F HA 0.603 5.130 4.527 0.000 0.000 0.324 34 F C -0.353 175.564 175.800 0.194 0.000 1.077 34 F CA -0.670 57.463 58.000 0.221 0.000 0.944 34 F CB 1.306 40.332 39.000 0.044 0.000 1.175 34 F HN 0.195 nan 8.300 nan 0.000 0.468 35 Y N 0.441 120.873 120.300 0.220 0.000 2.598 35 Y HA 0.416 4.966 4.550 0.000 0.000 0.340 35 Y C -0.390 175.436 175.900 -0.124 0.000 1.038 35 Y CA -1.046 57.107 58.100 0.088 0.000 1.100 35 Y CB 1.591 40.127 38.460 0.127 0.000 1.281 35 Y HN 0.497 nan 8.280 nan 0.000 0.488 36 H N 1.155 120.124 119.070 -0.169 0.000 2.538 36 H HA 0.862 5.418 4.556 0.000 0.000 0.353 36 H C -1.849 173.149 175.328 -0.550 0.000 1.109 36 H CA -0.777 55.041 56.048 -0.384 0.000 1.192 36 H CB 1.615 31.123 29.762 -0.424 0.000 1.555 36 H HN 0.821 nan 8.280 nan 0.000 0.518 37 A N 2.848 125.163 122.820 -0.843 0.000 2.486 37 A HA 0.714 5.034 4.320 0.000 0.000 0.300 37 A C -0.799 176.511 177.584 -0.457 0.000 1.048 37 A CA -0.155 51.544 52.037 -0.563 0.000 0.696 37 A CB 1.816 20.338 19.000 -0.797 0.000 1.278 37 A HN 0.888 nan 8.150 nan 0.000 0.405 38 G N 0.433 109.145 108.800 -0.146 0.000 2.753 38 G HA2 0.612 4.573 3.960 0.000 0.000 0.297 38 G HA3 0.612 4.573 3.960 0.000 0.000 0.297 38 G C -0.193 174.710 174.900 0.005 0.000 1.430 38 G CA 0.255 45.315 45.100 -0.066 0.000 1.040 38 G HN 1.585 nan 8.290 nan 0.000 0.530 39 S N 0.692 116.378 115.700 -0.022 0.000 2.608 39 S HA 0.499 4.969 4.470 0.000 0.000 0.261 39 S C 1.628 176.222 174.600 -0.009 0.000 1.314 39 S CA 0.537 58.721 58.200 -0.026 0.000 0.992 39 S CB 1.180 64.313 63.200 -0.111 0.000 0.935 39 S HN 1.482 nan 8.310 nan 0.000 0.564 40 S N 1.203 116.910 115.700 0.013 0.000 2.269 40 S HA 0.099 4.569 4.470 0.000 0.000 0.167 40 S C 0.637 175.240 174.600 0.005 0.000 1.319 40 S CA -0.000 58.218 58.200 0.030 0.000 2.086 40 S CB -0.476 62.755 63.200 0.050 0.000 0.582 40 S HN 0.958 nan 8.310 nan 0.000 0.360 41 R N 0.454 120.966 120.500 0.020 0.000 2.521 41 R HA 0.435 4.775 4.340 0.000 0.000 0.295 41 R C -1.612 174.720 176.300 0.054 0.000 1.183 41 R CA -0.425 55.682 56.100 0.013 0.000 0.957 41 R CB 0.325 30.639 30.300 0.022 0.000 1.171 41 R HN 0.528 nan 8.270 nan 0.000 0.494 42 L N 4.833 126.069 121.223 0.021 0.000 2.410 42 L HA 0.318 4.658 4.340 0.000 0.000 0.273 42 L C -0.313 176.701 176.870 0.240 0.000 1.152 42 L CA -0.220 54.695 54.840 0.124 0.000 0.855 42 L CB 0.612 42.530 42.059 -0.234 0.000 1.129 42 L HN 0.473 nan 8.230 nan 0.000 0.463 43 L N 3.036 124.487 121.223 0.381 0.000 2.465 43 L HA 0.801 5.141 4.340 0.000 0.000 0.257 43 L C -0.684 176.374 176.870 0.314 0.000 0.988 43 L CA 0.075 55.093 54.840 0.297 0.000 0.827 43 L CB 2.655 44.806 42.059 0.154 0.000 1.397 43 L HN 0.600 nan 8.230 nan 0.000 0.410 44 T N 2.478 117.161 114.554 0.214 0.000 3.289 44 T HA 0.631 4.981 4.350 0.000 0.000 0.370 44 T C -1.686 173.031 174.700 0.028 0.000 1.546 44 T CA 0.109 62.270 62.100 0.101 0.000 1.144 44 T CB 0.707 69.621 68.868 0.076 0.000 1.379 44 T HN 1.204 nan 8.240 nan 0.000 0.478 45 V N 1.539 121.447 119.914 -0.010 0.000 3.074 45 V HA 1.134 5.254 4.120 0.000 0.000 0.314 45 V C 0.348 176.422 176.094 -0.033 0.000 1.117 45 V CA 0.111 62.391 62.300 -0.033 0.000 1.014 45 V CB 1.319 33.127 31.823 -0.025 0.000 1.057 45 V HN 1.572 nan 8.190 nan 0.000 0.438 46 G N 0.450 109.231 108.800 -0.032 0.000 2.321 46 G HA2 0.289 4.249 3.960 0.000 0.000 0.296 46 G HA3 0.289 4.249 3.960 0.000 0.000 0.296 46 G C -1.982 172.884 174.900 -0.057 0.000 1.287 46 G CA -0.208 44.870 45.100 -0.036 0.000 0.846 46 G HN 0.981 nan 8.290 nan 0.000 0.508 47 D N 0.478 120.815 120.400 -0.104 0.000 2.302 47 D HA 0.349 4.989 4.640 0.000 0.000 0.248 47 D C -1.310 174.843 176.300 -0.245 0.000 1.094 47 D CA -1.613 52.248 54.000 -0.231 0.000 0.897 47 D CB 2.371 42.961 40.800 -0.350 0.000 1.200 47 D HN 0.064 nan 8.370 nan 0.000 0.429 48 P HA -0.017 nan 4.420 nan 0.000 0.245 48 P C 0.508 177.681 177.300 -0.212 0.000 1.206 48 P CA 0.627 63.542 63.100 -0.308 0.000 0.781 48 P CB 0.123 31.551 31.700 -0.453 0.000 0.994 49 Y N -0.337 119.832 120.300 -0.218 0.000 2.581 49 Y HA 0.263 4.813 4.550 0.000 0.000 0.271 49 Y C 0.848 176.739 175.900 -0.015 0.000 1.100 49 Y CA -0.728 57.289 58.100 -0.137 0.000 1.281 49 Y CB 0.470 38.839 38.460 -0.152 0.000 1.237 49 Y HN -0.177 nan 8.280 nan 0.000 0.514 50 F N -0.852 119.200 119.950 0.170 0.000 2.746 50 F HA 0.443 4.970 4.527 0.000 0.000 0.311 50 F C -1.038 174.806 175.800 0.073 0.000 1.135 50 F CA -2.238 55.827 58.000 0.109 0.000 0.954 50 F CB 0.594 39.651 39.000 0.095 0.000 1.276 50 F HN -0.177 nan 8.300 nan 0.000 0.440 51 R N 1.059 121.735 120.500 0.293 0.000 2.543 51 R HA 0.682 5.022 4.340 0.000 0.000 0.277 51 R C -1.460 175.019 176.300 0.297 0.000 1.074 51 R CA -0.684 55.531 56.100 0.192 0.000 1.076 51 R CB 1.074 31.445 30.300 0.118 0.000 0.993 51 R HN 0.536 nan 8.270 nan 0.000 0.459 52 V N 4.918 124.957 119.914 0.208 0.000 2.348 52 V HA 0.235 4.355 4.120 0.000 0.000 0.270 52 V C -1.957 174.216 176.094 0.130 0.000 1.037 52 V CA -2.255 60.179 62.300 0.224 0.000 0.872 52 V CB 1.080 33.021 31.823 0.197 0.000 1.002 52 V HN 0.803 nan 8.190 nan 0.000 0.464 53 P HA 0.040 nan 4.420 nan 0.000 0.256 53 P C 0.291 177.625 177.300 0.057 0.000 1.173 53 P CA 0.456 63.596 63.100 0.066 0.000 0.768 53 P CB 0.297 32.027 31.700 0.051 0.000 0.758 54 A N 4.519 127.364 122.820 0.043 0.000 2.615 54 A HA 0.308 4.628 4.320 0.000 0.000 0.230 54 A C 1.888 179.490 177.584 0.031 0.000 1.062 54 A CA 0.742 52.799 52.037 0.033 0.000 0.758 54 A CB -1.080 17.932 19.000 0.020 0.000 0.995 54 A HN 0.880 nan 8.150 nan 0.000 0.511 55 G N 0.610 109.426 108.800 0.027 0.000 2.249 55 G HA2 -0.248 3.712 3.960 0.000 0.000 0.269 55 G HA3 -0.248 3.712 3.960 0.000 0.000 0.269 55 G C 1.522 176.440 174.900 0.030 0.000 0.979 55 G CA 1.560 46.675 45.100 0.025 0.000 0.644 55 G HN 2.062 nan 8.290 nan 0.000 0.546 56 G N -0.264 108.560 108.800 0.040 0.000 2.462 56 G HA2 0.252 4.213 3.960 0.000 0.000 0.220 56 G HA3 0.252 4.213 3.960 0.000 0.000 0.220 56 G C 1.412 176.340 174.900 0.047 0.000 1.121 56 G CA 1.934 47.059 45.100 0.042 0.000 0.758 56 G HN 1.606 nan 8.290 nan 0.000 0.559 57 G N -0.627 108.206 108.800 0.055 0.000 2.512 57 G HA2 0.224 4.184 3.960 0.000 0.000 0.193 57 G HA3 0.224 4.184 3.960 0.000 0.000 0.193 57 G C 0.101 175.025 174.900 0.040 0.000 1.278 57 G CA 0.461 45.597 45.100 0.060 0.000 0.722 57 G HN 0.603 nan 8.290 nan 0.000 0.925 58 N N 0.203 118.924 118.700 0.035 0.000 2.504 58 N HA 0.169 4.909 4.740 0.000 0.000 0.268 58 N C -0.956 174.562 175.510 0.013 0.000 1.184 58 N CA -0.693 52.366 53.050 0.016 0.000 0.875 58 N CB 1.929 40.417 38.487 0.000 0.000 1.630 58 N HN 0.083 nan 8.380 nan 0.000 0.486 59 K N 1.250 121.653 120.400 0.006 0.000 2.569 59 K HA -0.169 4.152 4.320 0.000 0.000 0.280 59 K C -0.315 176.287 176.600 0.003 0.000 0.984 59 K CA 0.596 56.885 56.287 0.005 0.000 1.064 59 K CB 0.175 32.675 32.500 0.000 0.000 0.866 59 K HN 0.743 nan 8.250 nan 0.000 0.492 60 Q N 1.593 121.396 119.800 0.005 0.000 3.166 60 Q HA -0.168 4.172 4.340 0.000 0.000 0.025 60 Q C -1.596 174.410 176.000 0.009 0.000 1.692 60 Q CA 1.495 57.300 55.803 0.003 0.000 0.233 60 Q CB -0.187 28.549 28.738 -0.004 0.000 1.400 60 Q HN 0.825 nan 8.270 nan 0.000 0.320 61 D N 1.968 122.373 120.400 0.007 0.000 2.313 61 D HA 0.349 4.989 4.640 0.000 0.000 0.247 61 D C 0.199 176.505 176.300 0.010 0.000 1.094 61 D CA -0.169 53.841 54.000 0.016 0.000 0.925 61 D CB 0.524 41.332 40.800 0.013 0.000 1.188 61 D HN 0.363 nan 8.370 nan 0.000 0.430 62 I N 2.828 123.412 120.570 0.023 0.000 2.347 62 I HA 0.221 4.391 4.170 0.000 0.000 0.283 62 I C -2.286 173.836 176.117 0.007 0.000 1.058 62 I CA -2.455 58.851 61.300 0.010 0.000 1.202 62 I CB 0.249 38.261 38.000 0.020 0.000 1.386 62 I HN -0.129 nan 8.210 nan 0.000 0.475 63 P HA -0.038 nan 4.420 nan 0.000 0.266 63 P C -0.005 177.290 177.300 -0.008 0.000 1.193 63 P CA -0.063 63.028 63.100 -0.015 0.000 0.770 63 P CB 0.648 32.319 31.700 -0.047 0.000 0.836 64 K N 2.925 123.333 120.400 0.013 0.000 2.262 64 K HA 0.249 4.569 4.320 0.000 0.000 0.288 64 K C -1.233 175.389 176.600 0.037 0.000 1.090 64 K CA -0.306 55.995 56.287 0.024 0.000 0.918 64 K CB -0.135 32.408 32.500 0.071 0.000 1.139 64 K HN 0.166 nan 8.250 nan 0.000 0.462 65 V N 3.471 123.406 119.914 0.034 0.000 2.350 65 V HA 0.237 4.357 4.120 0.000 0.000 0.285 65 V C -0.223 175.982 176.094 0.185 0.000 1.014 65 V CA -0.700 61.647 62.300 0.078 0.000 0.831 65 V CB 1.092 32.932 31.823 0.027 0.000 1.000 65 V HN 0.758 nan 8.190 nan 0.000 0.433 66 S N 3.259 119.096 115.700 0.228 0.000 2.638 66 S HA 0.781 5.252 4.470 0.000 0.000 0.302 66 S C 1.041 175.818 174.600 0.294 0.000 1.096 66 S CA 0.221 58.602 58.200 0.302 0.000 0.953 66 S CB 2.157 65.524 63.200 0.279 0.000 1.107 66 S HN 0.869 nan 8.310 nan 0.000 0.503 67 A N 1.509 124.429 122.820 0.166 0.000 2.132 67 A HA 0.251 4.572 4.320 0.000 0.000 0.213 67 A C 0.154 177.592 177.584 -0.243 0.000 1.154 67 A CA 0.548 52.572 52.037 -0.023 0.000 0.753 67 A CB -0.427 18.400 19.000 -0.289 0.000 0.826 67 A HN 0.787 nan 8.150 nan 0.000 0.469 68 Y N 1.399 121.790 120.300 0.152 0.000 2.928 68 Y HA 0.363 4.913 4.550 0.000 0.000 0.390 68 Y C 0.346 176.275 175.900 0.049 0.000 1.101 68 Y CA -0.309 57.841 58.100 0.084 0.000 1.777 68 Y CB -0.249 38.254 38.460 0.073 0.000 1.720 68 Y HN 0.525 nan 8.280 nan 0.000 0.484 69 Q N -1.683 118.184 119.800 0.112 0.000 2.320 69 Q HA 0.387 4.727 4.340 0.000 0.000 0.272 69 Q C -1.525 174.522 176.000 0.079 0.000 1.023 69 Q CA -1.250 54.626 55.803 0.121 0.000 0.855 69 Q CB 1.284 30.123 28.738 0.168 0.000 1.367 69 Q HN 0.213 nan 8.270 nan 0.000 0.406 70 Y N 0.960 121.309 120.300 0.083 0.000 2.683 70 Y HA 0.117 4.667 4.550 0.000 0.000 0.340 70 Y C 0.501 176.393 175.900 -0.013 0.000 1.245 70 Y CA 0.141 58.269 58.100 0.046 0.000 1.485 70 Y CB 0.628 39.107 38.460 0.032 0.000 1.328 70 Y HN 0.319 nan 8.280 nan 0.000 0.603 71 R N 2.049 122.582 120.500 0.054 0.000 2.409 71 R HA 0.466 4.806 4.340 0.000 0.000 0.313 71 R C -1.747 174.336 176.300 -0.362 0.000 0.953 71 R CA -0.750 55.196 56.100 -0.256 0.000 0.849 71 R CB 1.456 31.463 30.300 -0.488 0.000 1.171 71 R HN 0.418 nan 8.270 nan 0.000 0.458 72 V N 5.425 125.152 119.914 -0.311 0.000 2.350 72 V HA 0.439 4.559 4.120 0.000 0.000 0.285 72 V C -0.419 175.503 176.094 -0.287 0.000 1.014 72 V CA -0.686 61.513 62.300 -0.168 0.000 0.831 72 V CB 0.941 32.845 31.823 0.136 0.000 1.000 72 V HN 0.472 nan 8.190 nan 0.000 0.433 73 F N 3.371 123.298 119.950 -0.039 0.000 2.421 73 F HA 0.593 5.120 4.527 0.000 0.000 0.337 73 F C 0.694 176.335 175.800 -0.266 0.000 1.105 73 F CA -0.632 57.298 58.000 -0.117 0.000 1.049 73 F CB 1.340 40.205 39.000 -0.225 0.000 1.139 73 F HN 0.311 nan 8.300 nan 0.000 0.479 74 R N 3.164 123.573 120.500 -0.152 0.000 2.332 74 R HA 0.476 4.816 4.340 0.000 0.000 0.306 74 R C -1.601 174.498 176.300 -0.334 0.000 1.117 74 R CA -0.385 55.357 56.100 -0.597 0.000 1.108 74 R CB 0.557 30.484 30.300 -0.623 0.000 1.126 74 R HN 0.585 nan 8.270 nan 0.000 0.548 75 V N 4.088 123.810 119.914 -0.321 0.000 2.521 75 V HA 0.026 4.146 4.120 0.000 0.000 0.286 75 V C 0.238 176.190 176.094 -0.236 0.000 1.034 75 V CA -0.017 62.146 62.300 -0.229 0.000 1.045 75 V CB 1.190 32.839 31.823 -0.291 0.000 0.974 75 V HN 0.635 nan 8.190 nan 0.000 0.480 76 Q N 5.008 124.713 119.800 -0.157 0.000 2.368 76 Q HA 0.527 4.867 4.340 0.000 0.000 0.256 76 Q C -0.870 175.036 176.000 -0.156 0.000 0.980 76 Q CA -0.060 55.666 55.803 -0.128 0.000 0.887 76 Q CB 1.012 29.710 28.738 -0.066 0.000 1.221 76 Q HN 0.704 nan 8.270 nan 0.000 0.458 77 L N 5.339 126.435 121.223 -0.211 0.000 2.416 77 L HA 0.665 5.005 4.340 0.000 0.000 0.262 77 L C -1.880 174.796 176.870 -0.324 0.000 1.093 77 L CA -2.253 52.374 54.840 -0.354 0.000 0.801 77 L CB 0.897 42.648 42.059 -0.513 0.000 1.191 77 L HN 0.572 nan 8.230 nan 0.000 0.459 78 P HA 0.024 nan 4.420 nan 0.000 0.278 78 P C -1.145 176.010 177.300 -0.242 0.000 1.238 78 P CA -0.393 62.442 63.100 -0.442 0.000 0.794 78 P CB 0.982 32.181 31.700 -0.836 0.000 0.955 79 D N 4.101 124.415 120.400 -0.143 0.000 2.382 79 D HA 0.012 4.652 4.640 0.000 0.000 0.259 79 D C -1.003 175.198 176.300 -0.166 0.000 1.224 79 D CA -1.860 52.082 54.000 -0.097 0.000 0.894 79 D CB 0.709 41.497 40.800 -0.020 0.000 1.127 79 D HN 0.227 nan 8.370 nan 0.000 0.487 80 P HA -0.154 nan 4.420 nan 0.000 0.220 80 P C 0.730 177.847 177.300 -0.304 0.000 1.148 80 P CA 0.817 63.569 63.100 -0.579 0.000 0.803 80 P CB 0.575 31.542 31.700 -1.222 0.000 0.782 81 N N 1.087 119.652 118.700 -0.225 0.000 2.148 81 N HA -0.061 4.679 4.740 0.000 0.000 0.186 81 N C 1.359 176.865 175.510 -0.007 0.000 1.031 81 N CA 1.091 54.064 53.050 -0.129 0.000 0.848 81 N CB -0.464 37.955 38.487 -0.113 0.000 1.005 81 N HN 0.310 nan 8.380 nan 0.000 0.427 82 K N 0.176 120.589 120.400 0.023 0.000 2.589 82 K HA 0.066 4.386 4.320 0.000 0.000 0.204 82 K C -0.346 176.327 176.600 0.121 0.000 1.029 82 K CA -0.134 56.187 56.287 0.058 0.000 1.177 82 K CB -0.202 32.329 32.500 0.052 0.000 0.902 82 K HN 0.040 nan 8.250 nan 0.000 0.501 83 F N 0.940 120.841 119.950 -0.082 0.000 2.443 83 F HA 0.423 4.950 4.527 0.000 0.000 0.335 83 F C 0.537 176.317 175.800 -0.034 0.000 1.104 83 F CA -1.425 56.534 58.000 -0.069 0.000 1.013 83 F CB 1.120 40.047 39.000 -0.121 0.000 1.136 83 F HN -0.025 nan 8.300 nan 0.000 0.470 84 G N 6.776 115.200 108.800 -0.627 0.000 2.343 84 G HA2 0.388 4.349 3.960 0.000 0.000 0.254 84 G HA3 0.388 4.349 3.960 0.000 0.000 0.254 84 G C -0.708 173.834 174.900 -0.596 0.000 1.277 84 G CA -0.446 44.356 45.100 -0.497 0.000 0.909 84 G HN 0.708 nan 8.290 nan 0.000 0.502 85 L N 3.922 125.004 121.223 -0.235 0.000 2.387 85 L HA 0.371 4.711 4.340 0.000 0.000 0.266 85 L C -0.762 176.099 176.870 -0.015 0.000 1.059 85 L CA -1.987 52.807 54.840 -0.077 0.000 0.801 85 L CB 2.127 44.184 42.059 -0.004 0.000 1.223 85 L HN 0.396 nan 8.230 nan 0.000 0.456 86 P HA -0.075 nan 4.420 nan 0.000 0.231 86 P C -0.591 176.728 177.300 0.033 0.000 1.158 86 P CA 1.011 64.141 63.100 0.050 0.000 0.763 86 P CB 0.106 31.850 31.700 0.073 0.000 0.805 87 D N -2.230 118.191 120.400 0.035 0.000 2.625 87 D HA 0.064 4.704 4.640 0.000 0.000 0.203 87 D C -0.804 175.523 176.300 0.045 0.000 1.230 87 D CA -0.322 53.697 54.000 0.031 0.000 0.784 87 D CB -0.007 40.814 40.800 0.036 0.000 1.936 87 D HN -0.379 nan 8.370 nan 0.000 0.522 88 T N 1.804 116.385 114.554 0.044 0.000 3.268 88 T HA 0.279 4.629 4.350 0.000 0.000 0.244 88 T C 0.743 175.496 174.700 0.088 0.000 0.915 88 T CA 0.300 62.454 62.100 0.090 0.000 0.935 88 T CB -0.197 68.710 68.868 0.066 0.000 1.110 88 T HN 0.390 nan 8.240 nan 0.000 0.573 89 S N -0.029 115.717 115.700 0.077 0.000 2.843 89 S HA 0.258 4.728 4.470 0.000 0.000 0.249 89 S C 1.175 175.823 174.600 0.080 0.000 1.047 89 S CA -0.512 57.717 58.200 0.048 0.000 1.042 89 S CB -0.229 62.981 63.200 0.016 0.000 0.936 89 S HN 0.278 nan 8.310 nan 0.000 0.531 90 I N 1.341 122.000 120.570 0.148 0.000 3.226 90 I HA 0.238 4.408 4.170 0.000 0.000 0.277 90 I C 0.841 177.074 176.117 0.193 0.000 1.243 90 I CA 0.473 61.843 61.300 0.117 0.000 1.459 90 I CB -1.244 36.785 38.000 0.047 0.000 1.093 90 I HN 0.720 nan 8.210 nan 0.000 0.453 91 Y N -0.532 119.730 120.300 -0.063 0.000 2.853 91 Y HA 0.525 5.075 4.550 0.000 0.000 0.326 91 Y C -0.843 175.014 175.900 -0.070 0.000 1.384 91 Y CA -1.626 56.429 58.100 -0.074 0.000 1.077 91 Y CB 1.043 39.439 38.460 -0.107 0.000 1.395 91 Y HN -0.094 nan 8.280 nan 0.000 0.451 92 N N 2.774 121.228 118.700 -0.411 0.000 2.626 92 N HA 0.378 5.118 4.740 0.000 0.000 0.242 92 N C -2.274 172.835 175.510 -0.668 0.000 1.005 92 N CA -2.807 49.942 53.050 -0.501 0.000 0.905 92 N CB 1.575 39.926 38.487 -0.226 0.000 1.128 92 N HN 0.408 nan 8.380 nan 0.000 0.512 93 P HA -0.164 nan 4.420 nan 0.000 0.229 93 P C 0.116 177.249 177.300 -0.278 0.000 1.147 93 P CA 1.077 63.804 63.100 -0.622 0.000 0.766 93 P CB 0.518 31.934 31.700 -0.472 0.000 0.775 94 E N -0.554 119.501 120.200 -0.241 0.000 2.166 94 E HA -0.012 4.338 4.350 0.000 0.000 0.192 94 E C 1.783 178.322 176.600 -0.102 0.000 0.967 94 E CA 1.592 57.909 56.400 -0.137 0.000 0.840 94 E CB -0.439 29.192 29.700 -0.115 0.000 0.795 94 E HN 0.395 nan 8.360 nan 0.000 0.470 95 T N -1.508 112.980 114.554 -0.110 0.000 3.044 95 T HA 0.150 4.500 4.350 0.000 0.000 0.260 95 T C 0.649 175.317 174.700 -0.053 0.000 1.019 95 T CA -0.371 61.690 62.100 -0.064 0.000 0.921 95 T CB 0.283 69.123 68.868 -0.048 0.000 1.053 95 T HN 0.072 nan 8.240 nan 0.000 0.533 96 Q N -0.312 119.446 119.800 -0.071 0.000 2.565 96 Q HA 0.697 5.037 4.340 0.000 0.000 0.294 96 Q C -1.500 174.465 176.000 -0.057 0.000 1.005 96 Q CA -1.419 54.362 55.803 -0.037 0.000 0.771 96 Q CB 1.581 30.343 28.738 0.041 0.000 1.486 96 Q HN -0.077 nan 8.270 nan 0.000 0.422 97 R N 0.292 120.653 120.500 -0.231 0.000 2.888 97 R HA 0.650 4.990 4.340 0.000 0.000 0.266 97 R C -0.913 175.094 176.300 -0.489 0.000 1.020 97 R CA -0.881 54.903 56.100 -0.527 0.000 0.963 97 R CB 1.622 31.068 30.300 -1.423 0.000 1.197 97 R HN 0.650 nan 8.270 nan 0.000 0.481 98 L N 0.994 121.863 121.223 -0.589 0.000 2.331 98 L HA 0.694 5.034 4.340 0.000 0.000 0.275 98 L C -0.415 176.188 176.870 -0.444 0.000 1.022 98 L CA -1.015 53.478 54.840 -0.579 0.000 0.812 98 L CB 1.917 43.512 42.059 -0.773 0.000 1.257 98 L HN 0.148 nan 8.230 nan 0.000 0.435 99 V N -0.105 119.564 119.914 -0.409 0.000 3.049 99 V HA 0.373 4.493 4.120 0.000 0.000 0.309 99 V C -1.265 174.618 176.094 -0.352 0.000 1.148 99 V CA -0.887 61.238 62.300 -0.292 0.000 0.990 99 V CB 2.142 33.873 31.823 -0.153 0.000 1.039 99 V HN 0.646 nan 8.190 nan 0.000 0.430 100 W N 1.635 122.821 121.300 -0.190 0.000 2.351 100 W HA 0.713 5.373 4.660 0.000 0.000 0.311 100 W C 0.180 176.627 176.519 -0.120 0.000 1.168 100 W CA -0.411 56.825 57.345 -0.182 0.000 1.200 100 W CB 1.575 30.841 29.460 -0.323 0.000 1.221 100 W HN 0.721 nan 8.180 nan 0.000 0.519 101 A N 3.621 126.606 122.820 0.275 0.000 2.304 101 A HA 0.463 4.783 4.320 0.000 0.000 0.314 101 A C -0.797 176.918 177.584 0.218 0.000 1.187 101 A CA -0.661 51.444 52.037 0.114 0.000 0.810 101 A CB 0.618 19.621 19.000 0.005 0.000 1.183 101 A HN 0.758 nan 8.150 nan 0.000 0.487 102 C N 2.526 121.902 119.300 0.126 0.000 2.653 102 C HA 0.518 4.978 4.460 0.000 0.000 0.421 102 C C 1.361 176.331 174.990 -0.033 0.000 1.334 102 C CA 0.767 59.806 59.018 0.035 0.000 1.885 102 C CB -0.120 27.621 27.740 0.002 0.000 2.645 102 C HN 1.076 nan 8.230 nan 0.000 0.601 103 A N 3.792 126.583 122.820 -0.047 0.000 2.263 103 A HA 0.637 4.957 4.320 0.000 0.000 0.200 103 A C 0.630 178.302 177.584 0.146 0.000 1.428 103 A CA 0.647 52.733 52.037 0.082 0.000 1.050 103 A CB -0.041 19.073 19.000 0.189 0.000 1.226 103 A HN 1.418 nan 8.150 nan 0.000 0.501 104 G N -0.792 107.999 108.800 -0.014 0.000 2.742 104 G HA2 0.552 4.512 3.960 0.000 0.000 0.296 104 G HA3 0.552 4.512 3.960 0.000 0.000 0.296 104 G C -1.644 173.116 174.900 -0.232 0.000 1.436 104 G CA -0.274 44.848 45.100 0.036 0.000 0.928 104 G HN 0.576 nan 8.290 nan 0.000 0.520 105 V N 0.138 119.843 119.914 -0.349 0.000 3.049 105 V HA 0.779 4.899 4.120 0.000 0.000 0.309 105 V C -0.793 175.050 176.094 -0.418 0.000 1.148 105 V CA -0.847 61.190 62.300 -0.439 0.000 0.990 105 V CB 2.297 33.918 31.823 -0.337 0.000 1.039 105 V HN 0.943 nan 8.190 nan 0.000 0.430 106 E N 2.502 122.419 120.200 -0.472 0.000 2.448 106 E HA 0.458 4.808 4.350 0.000 0.000 0.288 106 E C -1.847 174.578 176.600 -0.292 0.000 0.936 106 E CA -0.570 55.645 56.400 -0.309 0.000 0.809 106 E CB 1.178 30.694 29.700 -0.306 0.000 1.408 106 E HN 0.607 nan 8.360 nan 0.000 0.393 107 I N 3.406 123.901 120.570 -0.125 0.000 2.363 107 I HA 0.312 4.482 4.170 0.000 0.000 0.292 107 I C 0.893 176.928 176.117 -0.137 0.000 1.075 107 I CA 0.208 61.416 61.300 -0.153 0.000 1.333 107 I CB 1.330 39.276 38.000 -0.089 0.000 1.415 107 I HN 0.471 nan 8.210 nan 0.000 0.502 108 G N 6.374 115.060 108.800 -0.189 0.000 2.377 108 G HA2 0.605 4.565 3.960 0.000 0.000 0.299 108 G HA3 0.605 4.565 3.960 0.000 0.000 0.299 108 G C -0.251 174.496 174.900 -0.255 0.000 1.150 108 G CA -0.659 44.342 45.100 -0.166 0.000 0.847 108 G HN 0.326 nan 8.290 nan 0.000 0.501 109 R N 0.870 121.228 120.500 -0.236 0.000 2.637 109 R HA 0.500 4.840 4.340 0.000 0.000 0.291 109 R C 0.895 177.071 176.300 -0.206 0.000 0.963 109 R CA -0.358 55.538 56.100 -0.341 0.000 0.901 109 R CB 1.806 31.922 30.300 -0.306 0.000 1.160 109 R HN 0.601 nan 8.270 nan 0.000 0.457 110 G N 1.453 110.123 108.800 -0.217 0.000 2.682 110 G HA2 -0.058 3.903 3.960 0.000 0.000 0.221 110 G HA3 -0.058 3.903 3.960 0.000 0.000 0.221 110 G C -0.031 174.819 174.900 -0.083 0.000 1.386 110 G CA -0.014 45.012 45.100 -0.122 0.000 0.909 110 G HN 0.365 nan 8.290 nan 0.000 0.558 111 Q N 1.392 121.147 119.800 -0.074 0.000 2.593 111 Q HA 0.054 4.394 4.340 0.000 0.000 0.285 111 Q C -2.015 173.971 176.000 -0.023 0.000 1.185 111 Q CA -0.365 55.417 55.803 -0.035 0.000 1.012 111 Q CB -0.292 28.435 28.738 -0.018 0.000 1.322 111 Q HN 0.313 nan 8.270 nan 0.000 0.500 112 P HA 0.178 nan 4.420 nan 0.000 0.279 112 P C -0.488 176.821 177.300 0.015 0.000 1.252 112 P CA -0.608 62.495 63.100 0.004 0.000 0.811 112 P CB 0.654 32.358 31.700 0.008 0.000 1.035 113 L N 1.114 122.348 121.223 0.018 0.000 2.499 113 L HA 0.452 4.792 4.340 0.000 0.000 0.281 113 L C 1.411 178.299 176.870 0.030 0.000 1.234 113 L CA 1.703 56.560 54.840 0.027 0.000 0.839 113 L CB -0.740 41.337 42.059 0.029 0.000 1.104 113 L HN 0.791 nan 8.230 nan 0.000 0.500 114 G N 0.500 109.321 108.800 0.036 0.000 2.466 114 G HA2 0.560 4.520 3.960 0.000 0.000 0.291 114 G HA3 0.560 4.520 3.960 0.000 0.000 0.291 114 G C -1.734 173.191 174.900 0.041 0.000 1.460 114 G CA -0.124 44.998 45.100 0.036 0.000 0.791 114 G HN 0.686 nan 8.290 nan 0.000 0.505 115 V N -1.739 118.200 119.914 0.042 0.000 2.680 115 V HA 1.033 5.154 4.120 0.000 0.000 0.309 115 V C 0.326 176.447 176.094 0.044 0.000 1.052 115 V CA -0.186 62.148 62.300 0.057 0.000 0.908 115 V CB 1.477 33.337 31.823 0.062 0.000 1.001 115 V HN 1.827 nan 8.190 nan 0.000 0.431 116 G N 3.005 111.846 108.800 0.067 0.000 2.620 116 G HA2 0.692 4.652 3.960 0.000 0.000 0.301 116 G HA3 0.692 4.652 3.960 0.000 0.000 0.301 116 G C -1.289 173.648 174.900 0.062 0.000 1.347 116 G CA -0.981 44.148 45.100 0.049 0.000 0.971 116 G HN 0.845 nan 8.290 nan 0.000 0.488 117 L N 0.552 121.793 121.223 0.029 0.000 2.387 117 L HA 0.734 5.074 4.340 0.000 0.000 0.266 117 L C 0.199 177.061 176.870 -0.014 0.000 1.059 117 L CA -0.761 54.054 54.840 -0.042 0.000 0.801 117 L CB 2.010 44.042 42.059 -0.045 0.000 1.223 117 L HN 0.460 nan 8.230 nan 0.000 0.456 118 S N -0.395 115.174 115.700 -0.219 0.000 2.541 118 S HA 0.855 5.325 4.470 0.000 0.000 0.280 118 S C -0.215 174.180 174.600 -0.343 0.000 1.112 118 S CA -0.602 57.434 58.200 -0.273 0.000 0.925 118 S CB 2.174 65.146 63.200 -0.379 0.000 1.067 118 S HN 0.905 nan 8.310 nan 0.000 0.479 119 G N 0.793 109.355 108.800 -0.396 0.000 2.782 119 G HA2 0.655 4.615 3.960 0.000 0.000 0.304 119 G HA3 0.655 4.615 3.960 0.000 0.000 0.304 119 G C -2.087 172.690 174.900 -0.204 0.000 1.315 119 G CA -0.397 44.541 45.100 -0.269 0.000 0.791 119 G HN 0.645 nan 8.290 nan 0.000 0.519 120 H N -0.525 118.419 119.070 -0.209 0.000 2.947 120 H HA 0.396 4.952 4.556 0.000 0.000 0.354 120 H C -2.240 172.969 175.328 -0.197 0.000 1.085 120 H CA -1.375 54.584 56.048 -0.149 0.000 1.253 120 H CB 2.941 32.701 29.762 -0.003 0.000 1.757 120 H HN 0.116 nan 8.280 nan 0.000 0.523 121 P HA 0.008 nan 4.420 nan 0.000 0.220 121 P C -0.209 176.779 177.300 -0.519 0.000 1.148 121 P CA 1.246 64.077 63.100 -0.448 0.000 0.803 121 P CB 0.122 31.336 31.700 -0.809 0.000 0.782 122 F N -2.837 117.326 119.950 0.354 0.000 2.577 122 F HA 0.261 4.788 4.527 0.000 0.000 0.342 122 F C 0.178 175.853 175.800 -0.209 0.000 1.479 122 F CA -1.298 56.730 58.000 0.047 0.000 1.110 122 F CB 0.042 39.065 39.000 0.038 0.000 1.306 122 F HN -0.199 nan 8.300 nan 0.000 0.554 123 Y N 1.984 122.178 120.300 -0.177 0.000 2.497 123 Y HA 0.085 4.635 4.550 0.000 0.000 0.334 123 Y C 0.678 176.441 175.900 -0.229 0.000 1.199 123 Y CA -0.309 57.613 58.100 -0.298 0.000 1.425 123 Y CB 0.547 38.858 38.460 -0.249 0.000 1.291 123 Y HN 0.311 nan 8.280 nan 0.000 0.562 124 N N 5.627 123.990 118.700 -0.561 0.000 2.807 124 N HA 0.075 4.815 4.740 0.000 0.000 0.259 124 N C -1.362 173.928 175.510 -0.366 0.000 1.149 124 N CA -0.157 52.663 53.050 -0.383 0.000 1.042 124 N CB -0.176 38.099 38.487 -0.353 0.000 1.367 124 N HN 0.565 nan 8.380 nan 0.000 0.516 125 K N 3.889 124.181 120.400 -0.180 0.000 2.425 125 K HA 0.149 4.469 4.320 0.000 0.000 0.259 125 K C 0.317 176.835 176.600 -0.137 0.000 0.978 125 K CA -0.624 55.549 56.287 -0.190 0.000 0.883 125 K CB 1.005 33.254 32.500 -0.418 0.000 1.110 125 K HN 0.285 nan 8.250 nan 0.000 0.436 126 L N 3.854 125.043 121.223 -0.058 0.000 2.007 126 L HA 0.014 4.355 4.340 0.000 0.000 0.205 126 L C -0.480 176.399 176.870 0.015 0.000 1.073 126 L CA 2.047 56.876 54.840 -0.017 0.000 0.744 126 L CB -0.126 41.938 42.059 0.007 0.000 0.898 126 L HN 0.921 nan 8.230 nan 0.000 0.435 127 D N -3.508 116.947 120.400 0.092 0.000 2.807 127 D HA 0.154 4.794 4.640 0.000 0.000 0.279 127 D C -1.516 174.994 176.300 0.350 0.000 1.247 127 D CA -0.653 53.442 54.000 0.158 0.000 0.749 127 D CB -0.075 40.800 40.800 0.123 0.000 1.264 127 D HN -0.028 nan 8.370 nan 0.000 0.421 128 D N -0.734 119.885 120.400 0.366 0.000 2.358 128 D HA 0.323 4.963 4.640 0.000 0.000 0.258 128 D C 0.761 177.233 176.300 0.287 0.000 1.223 128 D CA 0.151 54.396 54.000 0.408 0.000 0.886 128 D CB 0.747 41.727 40.800 0.299 0.000 1.120 128 D HN 0.451 nan 8.370 nan 0.000 0.482 129 T N -0.066 114.675 114.554 0.311 0.000 3.134 129 T HA 0.091 4.441 4.350 0.000 0.000 0.260 129 T C 1.246 176.072 174.700 0.211 0.000 1.027 129 T CA -0.373 61.879 62.100 0.252 0.000 0.913 129 T CB 0.115 69.177 68.868 0.324 0.000 1.046 129 T HN 0.501 nan 8.240 nan 0.000 0.553 130 E N 2.121 122.438 120.200 0.196 0.000 2.152 130 E HA -0.059 4.291 4.350 0.000 0.000 0.192 130 E C 0.540 177.182 176.600 0.070 0.000 0.983 130 E CA 1.151 57.642 56.400 0.152 0.000 0.818 130 E CB 0.206 29.786 29.700 -0.199 0.000 0.758 130 E HN 0.645 nan 8.360 nan 0.000 0.467 131 S N -0.211 115.521 115.700 0.053 0.000 2.703 131 S HA 0.009 4.479 4.470 0.000 0.000 0.188 131 S C -0.407 174.206 174.600 0.022 0.000 0.797 131 S CA -0.151 58.059 58.200 0.017 0.000 0.888 131 S CB -0.914 62.267 63.200 -0.031 0.000 1.605 131 S HN 0.206 nan 8.310 nan 0.000 0.553 132 S N 1.478 117.222 115.700 0.074 0.000 2.702 132 S HA -0.015 4.455 4.470 0.000 0.000 0.314 132 S C 1.119 175.772 174.600 0.089 0.000 1.244 132 S CA 0.008 58.269 58.200 0.102 0.000 1.058 132 S CB -0.108 63.165 63.200 0.121 0.000 0.783 132 S HN 0.509 nan 8.310 nan 0.000 0.503 133 H N 2.833 121.933 119.070 0.050 0.000 2.437 133 H HA -0.157 4.400 4.556 0.000 0.000 0.296 133 H C 1.195 176.543 175.328 0.034 0.000 1.121 133 H CA 1.919 57.990 56.048 0.037 0.000 1.255 133 H CB -0.107 29.675 29.762 0.034 0.000 1.366 133 H HN 0.909 nan 8.280 nan 0.000 0.512 134 A N -1.192 121.728 122.820 0.167 0.000 5.534 134 A HA 0.563 4.884 4.320 0.000 0.000 0.112 134 A C -0.534 177.104 177.584 0.090 0.000 1.126 134 A CA 0.135 52.238 52.037 0.110 0.000 1.849 134 A CB -0.601 18.463 19.000 0.106 0.000 2.644 134 A HN 0.352 nan 8.150 nan 0.000 1.204 135 A N -0.484 122.379 122.820 0.071 0.000 2.292 135 A HA 0.686 5.006 4.320 0.000 0.000 0.265 135 A C 0.643 178.265 177.584 0.063 0.000 1.133 135 A CA 0.997 53.069 52.037 0.059 0.000 0.807 135 A CB -0.370 18.656 19.000 0.042 0.000 1.102 135 A HN 2.276 nan 8.150 nan 0.000 0.502 136 T N -2.586 112.000 114.554 0.053 0.000 2.804 136 T HA 0.614 4.964 4.350 0.000 0.000 0.290 136 T C 0.161 174.881 174.700 0.033 0.000 1.099 136 T CA 0.006 62.136 62.100 0.051 0.000 1.011 136 T CB 0.398 69.306 68.868 0.066 0.000 1.291 136 T HN 1.656 nan 8.240 nan 0.000 0.523 137 S N 1.172 116.888 115.700 0.028 0.000 2.549 137 S HA 0.060 4.530 4.470 0.000 0.000 0.278 137 S C 0.296 174.902 174.600 0.009 0.000 1.344 137 S CA -0.414 57.795 58.200 0.015 0.000 1.025 137 S CB -0.568 62.638 63.200 0.010 0.000 0.851 137 S HN 1.022 nan 8.310 nan 0.000 0.530 138 N N 0.106 118.807 118.700 0.003 0.000 2.518 138 N HA 0.082 4.822 4.740 0.000 0.000 0.266 138 N C -0.114 175.391 175.510 -0.009 0.000 1.196 138 N CA -0.412 52.636 53.050 -0.002 0.000 0.947 138 N CB 0.483 38.968 38.487 -0.004 0.000 1.098 138 N HN 0.480 nan 8.380 nan 0.000 0.450 139 V N 3.254 123.161 119.914 -0.012 0.000 2.670 139 V HA -0.020 4.100 4.120 0.000 0.000 0.344 139 V C 1.672 177.752 176.094 -0.023 0.000 1.648 139 V CA 0.441 62.729 62.300 -0.020 0.000 1.673 139 V CB -1.916 29.894 31.823 -0.023 0.000 1.382 139 V HN 0.801 nan 8.190 nan 0.000 0.503 140 S N 0.965 116.652 115.700 -0.021 0.000 2.459 140 S HA -0.134 4.336 4.470 0.000 0.000 0.204 140 S C 1.414 175.996 174.600 -0.030 0.000 1.102 140 S CA 1.538 59.724 58.200 -0.023 0.000 1.258 140 S CB 0.107 63.295 63.200 -0.020 0.000 1.033 140 S HN 0.681 nan 8.310 nan 0.000 0.398 141 E N -0.138 120.041 120.200 -0.035 0.000 3.952 141 E HA 0.136 4.487 4.350 0.000 0.000 0.223 141 E C -1.056 175.510 176.600 -0.056 0.000 1.295 141 E CA 0.025 56.398 56.400 -0.045 0.000 1.670 141 E CB 0.462 30.135 29.700 -0.045 0.000 1.588 141 E HN 0.397 nan 8.360 nan 0.000 0.664 142 D N 1.026 121.393 120.400 -0.056 0.000 2.462 142 D HA 0.245 4.885 4.640 0.000 0.000 0.249 142 D C -0.472 175.801 176.300 -0.045 0.000 1.117 142 D CA -0.176 53.783 54.000 -0.067 0.000 0.900 142 D CB 1.655 42.401 40.800 -0.090 0.000 1.039 142 D HN 0.010 nan 8.370 nan 0.000 0.516 143 V N 3.755 123.644 119.914 -0.042 0.000 3.121 143 V HA 0.259 4.379 4.120 0.000 0.000 0.344 143 V C 0.983 177.063 176.094 -0.024 0.000 1.390 143 V CA -0.400 61.884 62.300 -0.027 0.000 1.177 143 V CB -0.625 31.181 31.823 -0.028 0.000 1.163 143 V HN 0.270 nan 8.190 nan 0.000 0.484 144 R N 1.721 122.213 120.500 -0.013 0.000 2.442 144 R HA 0.301 4.641 4.340 0.000 0.000 0.291 144 R C -0.610 175.732 176.300 0.070 0.000 1.069 144 R CA 0.148 56.260 56.100 0.019 0.000 1.022 144 R CB 0.499 30.828 30.300 0.049 0.000 0.976 144 R HN 0.336 nan 8.270 nan 0.000 0.443 145 D N 0.794 121.208 120.400 0.023 0.000 2.392 145 D HA 0.098 4.738 4.640 0.000 0.000 0.246 145 D C -0.531 175.758 176.300 -0.019 0.000 1.013 145 D CA -0.605 53.393 54.000 -0.003 0.000 0.993 145 D CB 1.137 41.894 40.800 -0.072 0.000 1.219 145 D HN 0.326 nan 8.370 nan 0.000 0.538 146 N N 1.128 119.792 118.700 -0.061 0.000 2.420 146 N HA 0.254 4.994 4.740 0.000 0.000 0.249 146 N C -0.884 174.540 175.510 -0.143 0.000 1.033 146 N CA -0.189 52.799 53.050 -0.104 0.000 0.944 146 N CB 0.531 38.946 38.487 -0.119 0.000 1.113 146 N HN 0.254 nan 8.380 nan 0.000 0.502 147 V N 0.845 120.642 119.914 -0.196 0.000 3.102 147 V HA 0.881 5.001 4.120 0.000 0.000 0.312 147 V C -0.196 175.739 176.094 -0.265 0.000 1.135 147 V CA -0.816 61.318 62.300 -0.277 0.000 1.022 147 V CB 1.481 32.997 31.823 -0.511 0.000 1.056 147 V HN 0.678 nan 8.190 nan 0.000 0.436 148 S N 0.901 116.471 115.700 -0.217 0.000 2.697 148 S HA 0.961 5.431 4.470 0.000 0.000 0.289 148 S C -0.953 173.549 174.600 -0.162 0.000 1.149 148 S CA -0.293 57.789 58.200 -0.197 0.000 0.850 148 S CB 1.703 64.814 63.200 -0.147 0.000 1.151 148 S HN 2.385 nan 8.310 nan 0.000 0.491 149 V N 1.242 121.036 119.914 -0.201 0.000 3.036 149 V HA 0.408 4.528 4.120 0.000 0.000 0.280 149 V C -2.187 173.718 176.094 -0.315 0.000 1.497 149 V CA -0.633 61.561 62.300 -0.177 0.000 0.982 149 V CB 2.080 33.853 31.823 -0.083 0.000 1.171 149 V HN 1.242 nan 8.190 nan 0.000 0.444 150 D N 5.101 125.374 120.400 -0.211 0.000 2.264 150 D HA 0.287 4.927 4.640 0.000 0.000 0.250 150 D C -0.175 176.026 176.300 -0.165 0.000 1.113 150 D CA -0.003 53.882 54.000 -0.191 0.000 0.871 150 D CB 0.799 41.572 40.800 -0.045 0.000 1.167 150 D HN 0.545 nan 8.370 nan 0.000 0.447 151 Y N 0.434 120.661 120.300 -0.121 0.000 2.220 151 Y HA 0.032 4.582 4.550 0.000 0.000 0.347 151 Y C 1.687 177.580 175.900 -0.011 0.000 1.311 151 Y CA -0.797 57.203 58.100 -0.168 0.000 1.593 151 Y CB 0.664 38.770 38.460 -0.590 0.000 1.419 151 Y HN 0.304 nan 8.280 nan 0.000 0.614 152 K N 1.458 121.989 120.400 0.219 0.000 2.319 152 K HA -0.017 4.303 4.320 0.000 0.000 0.265 152 K C -0.644 176.107 176.600 0.252 0.000 1.000 152 K CA -0.407 55.977 56.287 0.162 0.000 0.943 152 K CB 0.551 33.119 32.500 0.114 0.000 0.950 152 K HN 0.693 nan 8.250 nan 0.000 0.485 153 Q N 2.520 122.439 119.800 0.199 0.000 2.314 153 Q HA 0.219 4.559 4.340 0.000 0.000 0.259 153 Q C -1.405 174.696 176.000 0.168 0.000 0.951 153 Q CA -0.432 55.492 55.803 0.203 0.000 0.909 153 Q CB 1.426 30.258 28.738 0.157 0.000 1.236 153 Q HN 0.694 nan 8.270 nan 0.000 0.444 154 T N 3.469 118.127 114.554 0.173 0.000 2.906 154 T HA 0.504 4.854 4.350 0.000 0.000 0.295 154 T C -1.146 173.630 174.700 0.127 0.000 1.075 154 T CA -0.744 61.445 62.100 0.148 0.000 1.005 154 T CB 1.804 70.772 68.868 0.168 0.000 1.136 154 T HN 0.584 nan 8.240 nan 0.000 0.498 155 Q N 1.428 121.296 119.800 0.113 0.000 2.313 155 Q HA 0.583 4.923 4.340 0.000 0.000 0.255 155 Q C -1.702 174.358 176.000 0.100 0.000 0.944 155 Q CA -0.784 55.090 55.803 0.119 0.000 0.881 155 Q CB 2.367 31.103 28.738 -0.004 0.000 1.375 155 Q HN 0.647 nan 8.270 nan 0.000 0.422 156 L N -0.724 120.618 121.223 0.197 0.000 2.465 156 L HA 0.982 5.322 4.340 0.000 0.000 0.257 156 L C -1.619 175.419 176.870 0.280 0.000 0.988 156 L CA -0.699 54.246 54.840 0.176 0.000 0.827 156 L CB 2.405 44.578 42.059 0.191 0.000 1.397 156 L HN 0.705 nan 8.230 nan 0.000 0.410 157 C N 4.157 123.587 119.300 0.217 0.000 2.607 157 C HA 0.829 5.289 4.460 0.000 0.000 0.350 157 C C -1.331 173.785 174.990 0.211 0.000 1.101 157 C CA -0.345 58.847 59.018 0.291 0.000 1.282 157 C CB 0.599 28.588 27.740 0.414 0.000 1.825 157 C HN 0.768 nan 8.230 nan 0.000 0.460 158 I N 6.554 127.249 120.570 0.208 0.000 2.436 158 I HA 0.504 4.674 4.170 0.000 0.000 0.289 158 I C -0.413 175.799 176.117 0.158 0.000 1.010 158 I CA -0.588 60.801 61.300 0.148 0.000 1.098 158 I CB 1.457 39.487 38.000 0.051 0.000 1.266 158 I HN 0.605 nan 8.210 nan 0.000 0.434 159 L N 4.882 126.200 121.223 0.158 0.000 2.346 159 L HA 0.945 5.285 4.340 0.000 0.000 0.274 159 L C 0.309 176.900 176.870 -0.465 0.000 1.007 159 L CA -0.310 54.566 54.840 0.060 0.000 0.818 159 L CB 2.303 44.540 42.059 0.296 0.000 1.284 159 L HN 0.842 nan 8.230 nan 0.000 0.424 160 G N -0.119 108.368 108.800 -0.522 0.000 2.441 160 G HA2 0.312 4.272 3.960 0.000 0.000 0.294 160 G HA3 0.312 4.272 3.960 0.000 0.000 0.294 160 G C -0.718 174.082 174.900 -0.167 0.000 1.393 160 G CA -0.205 44.365 45.100 -0.882 0.000 0.796 160 G HN 0.723 nan 8.290 nan 0.000 0.494 161 C N -0.873 118.439 119.300 0.021 0.000 2.548 161 C HA 0.832 5.292 4.460 0.000 0.000 0.297 161 C C 0.696 175.782 174.990 0.159 0.000 1.422 161 C CA -0.214 58.976 59.018 0.287 0.000 1.785 161 C CB -1.522 26.462 27.740 0.407 0.000 2.593 161 C HN 1.821 nan 8.230 nan 0.000 0.545 162 A N 1.198 123.881 122.820 -0.227 0.000 2.555 162 A HA 0.802 5.122 4.320 0.000 0.000 0.297 162 A C -2.991 173.927 177.584 -1.110 0.000 1.060 162 A CA -0.819 50.810 52.037 -0.679 0.000 0.710 162 A CB 0.811 19.666 19.000 -0.242 0.000 1.282 162 A HN 0.179 nan 8.150 nan 0.000 0.399 163 P HA 0.267 nan 4.420 nan 0.000 0.267 163 P C 0.199 177.190 177.300 -0.516 0.000 1.195 163 P CA 0.554 63.013 63.100 -1.068 0.000 0.773 163 P CB 0.611 31.823 31.700 -0.814 0.000 0.837 164 A N 2.810 125.428 122.820 -0.335 0.000 2.286 164 A HA 0.534 4.855 4.320 0.000 0.000 0.286 164 A C 0.287 177.727 177.584 -0.240 0.000 1.097 164 A CA -0.675 51.210 52.037 -0.254 0.000 0.821 164 A CB -0.093 18.778 19.000 -0.215 0.000 1.076 164 A HN 0.477 nan 8.150 nan 0.000 0.490 165 I N 0.583 121.019 120.570 -0.222 0.000 2.437 165 I HA 0.569 4.739 4.170 0.000 0.000 0.298 165 I C 0.821 176.800 176.117 -0.230 0.000 0.984 165 I CA 0.030 61.213 61.300 -0.195 0.000 1.214 165 I CB 2.016 39.928 38.000 -0.147 0.000 1.365 165 I HN 0.687 nan 8.210 nan 0.000 0.469 166 G N 3.722 112.405 108.800 -0.196 0.000 2.569 166 G HA2 0.733 4.693 3.960 0.000 0.000 0.300 166 G HA3 0.733 4.693 3.960 0.000 0.000 0.300 166 G C -1.486 173.363 174.900 -0.085 0.000 1.269 166 G CA -0.471 44.519 45.100 -0.183 0.000 0.959 166 G HN 0.667 nan 8.290 nan 0.000 0.478 167 E N -0.564 119.617 120.200 -0.032 0.000 2.336 167 E HA 0.720 5.070 4.350 0.000 0.000 0.267 167 E C -1.268 175.356 176.600 0.041 0.000 0.906 167 E CA -1.001 55.369 56.400 -0.049 0.000 0.781 167 E CB 2.523 32.146 29.700 -0.128 0.000 1.261 167 E HN 0.767 nan 8.360 nan 0.000 0.436 168 H N -0.481 118.430 119.070 -0.265 0.000 2.969 168 H HA 0.221 4.777 4.556 0.000 0.000 0.304 168 H C -2.015 173.070 175.328 -0.405 0.000 1.400 168 H CA -1.154 54.751 56.048 -0.239 0.000 1.182 168 H CB 0.008 29.729 29.762 -0.068 0.000 1.865 168 H HN 0.656 nan 8.280 nan 0.000 0.512 169 W N 1.210 122.447 121.300 -0.106 0.000 2.365 169 W HA 0.707 5.367 4.660 0.000 0.000 0.316 169 W C 0.015 176.440 176.519 -0.157 0.000 1.164 169 W CA 0.057 57.300 57.345 -0.170 0.000 1.204 169 W CB 1.742 31.147 29.460 -0.091 0.000 1.213 169 W HN 0.863 nan 8.180 nan 0.000 0.539 170 A N 2.461 125.311 122.820 0.049 0.000 2.569 170 A HA 0.578 4.898 4.320 0.000 0.000 0.290 170 A C -1.098 176.525 177.584 0.065 0.000 1.136 170 A CA -1.193 50.872 52.037 0.046 0.000 0.710 170 A CB 1.370 20.362 19.000 -0.013 0.000 1.303 170 A HN 0.557 nan 8.150 nan 0.000 0.413 171 K N 0.781 121.211 120.400 0.051 0.000 2.447 171 K HA 0.316 4.636 4.320 0.000 0.000 0.281 171 K C 0.589 177.209 176.600 0.033 0.000 1.031 171 K CA 0.514 56.825 56.287 0.040 0.000 1.019 171 K CB 0.159 32.678 32.500 0.031 0.000 0.918 171 K HN 0.879 nan 8.250 nan 0.000 0.476 172 G N 2.723 111.545 108.800 0.036 0.000 2.527 172 G HA2 0.038 3.998 3.960 0.000 0.000 0.248 172 G HA3 0.038 3.998 3.960 0.000 0.000 0.248 172 G C -0.545 174.366 174.900 0.018 0.000 1.231 172 G CA -0.582 44.535 45.100 0.029 0.000 0.838 172 G HN 0.663 nan 8.290 nan 0.000 0.570 173 T N 1.279 115.841 114.554 0.013 0.000 2.829 173 T HA 0.347 4.697 4.350 0.000 0.000 0.293 173 T C 0.893 175.598 174.700 0.008 0.000 0.970 173 T CA 0.394 62.499 62.100 0.009 0.000 1.168 173 T CB 0.687 69.558 68.868 0.005 0.000 0.911 173 T HN 0.819 nan 8.240 nan 0.000 0.535 174 A N 4.577 127.402 122.820 0.007 0.000 2.505 174 A HA 0.403 4.723 4.320 0.000 0.000 0.271 174 A C 1.003 178.590 177.584 0.004 0.000 1.112 174 A CA -0.691 51.350 52.037 0.005 0.000 0.781 174 A CB -0.256 18.747 19.000 0.005 0.000 1.059 174 A HN 0.912 nan 8.150 nan 0.000 0.508 175 S N 2.614 118.317 115.700 0.004 0.000 2.549 175 S HA 0.168 4.638 4.470 0.000 0.000 0.279 175 S C 0.994 175.595 174.600 0.002 0.000 1.321 175 S CA -0.019 58.183 58.200 0.003 0.000 1.054 175 S CB 0.942 64.144 63.200 0.003 0.000 0.899 175 S HN 0.782 nan 8.310 nan 0.000 0.497 176 K N 2.052 122.453 120.400 0.001 0.000 2.211 176 K HA -0.117 4.203 4.320 0.000 0.000 0.203 176 K C 2.044 178.644 176.600 0.000 0.000 1.050 176 K CA 1.429 57.717 56.287 0.001 0.000 0.945 176 K CB -0.614 31.887 32.500 0.000 0.000 0.732 176 K HN 0.706 nan 8.250 nan 0.000 0.451 177 S N 0.704 116.405 115.700 0.000 0.000 2.345 177 S HA -0.094 4.376 4.470 0.000 0.000 0.220 177 S C 1.326 175.926 174.600 0.000 0.000 1.031 177 S CA 0.353 58.553 58.200 0.000 0.000 0.996 177 S CB -0.156 63.045 63.200 0.001 0.000 0.882 177 S HN 0.179 nan 8.310 nan 0.000 0.445 178 R N 2.709 123.210 120.500 0.000 0.000 2.415 178 R HA 0.440 4.781 4.340 0.000 0.000 0.292 178 R C -2.943 173.357 176.300 -0.000 0.000 1.295 178 R CA -2.295 53.805 56.100 -0.000 0.000 1.137 178 R CB 0.998 31.298 30.300 -0.000 0.000 1.135 178 R HN 0.381 nan 8.270 nan 0.000 0.560 179 P HA -0.009 nan 4.420 nan 0.000 0.270 179 P C -0.464 176.835 177.300 -0.001 0.000 1.227 179 P CA -0.531 62.569 63.100 -0.000 0.000 0.788 179 P CB 0.988 32.688 31.700 -0.001 0.000 0.926 180 L N 1.905 123.128 121.223 -0.001 0.000 2.287 180 L HA 0.170 4.510 4.340 0.000 0.000 0.280 180 L C 0.381 177.250 176.870 -0.002 0.000 1.055 180 L CA -0.115 54.724 54.840 -0.002 0.000 0.863 180 L CB -0.139 41.920 42.059 -0.001 0.000 1.245 180 L HN 0.396 nan 8.230 nan 0.000 0.432 181 S N 2.350 118.048 115.700 -0.003 0.000 2.558 181 S HA 0.076 4.546 4.470 0.000 0.000 0.293 181 S C 0.216 174.813 174.600 -0.005 0.000 1.292 181 S CA -0.516 57.681 58.200 -0.004 0.000 1.063 181 S CB 0.336 63.534 63.200 -0.005 0.000 0.831 181 S HN 0.595 nan 8.310 nan 0.000 0.499 182 Q N 1.873 121.670 119.800 -0.005 0.000 2.283 182 Q HA 0.390 4.730 4.340 0.000 0.000 0.301 182 Q C 1.369 177.364 176.000 -0.008 0.000 1.063 182 Q CA 1.793 57.593 55.803 -0.006 0.000 0.952 182 Q CB -0.124 28.610 28.738 -0.006 0.000 1.166 182 Q HN 1.283 nan 8.270 nan 0.000 0.381 183 G N 3.254 112.049 108.800 -0.009 0.000 2.397 183 G HA2 -0.254 3.706 3.960 0.000 0.000 0.211 183 G HA3 -0.254 3.706 3.960 0.000 0.000 0.211 183 G C -0.092 174.801 174.900 -0.012 0.000 1.077 183 G CA -0.078 45.015 45.100 -0.011 0.000 0.649 183 G HN 0.666 nan 8.290 nan 0.000 0.511 184 D N 0.503 120.897 120.400 -0.010 0.000 2.362 184 D HA 0.406 5.046 4.640 0.000 0.000 0.238 184 D C 0.977 177.270 176.300 -0.012 0.000 1.212 184 D CA 0.639 54.632 54.000 -0.011 0.000 0.902 184 D CB 0.822 41.616 40.800 -0.009 0.000 1.180 184 D HN 0.640 nan 8.370 nan 0.000 0.445 185 C N 3.499 122.790 119.300 -0.015 0.000 2.514 185 C HA 0.464 4.924 4.460 0.000 0.000 0.392 185 C C -1.942 173.040 174.990 -0.014 0.000 1.294 185 C CA -1.350 57.657 59.018 -0.017 0.000 1.957 185 C CB -0.427 27.299 27.740 -0.024 0.000 2.541 185 C HN 0.457 nan 8.230 nan 0.000 0.569 186 P HA 0.419 nan 4.420 nan 0.000 0.276 186 P C -2.821 174.474 177.300 -0.008 0.000 1.261 186 P CA -1.051 62.046 63.100 -0.005 0.000 0.800 186 P CB 0.331 32.032 31.700 0.002 0.000 1.066 187 P HA 0.257 nan 4.420 nan 0.000 0.288 187 P C -0.745 176.570 177.300 0.025 0.000 1.267 187 P CA -0.329 62.773 63.100 0.003 0.000 0.815 187 P CB 0.844 32.551 31.700 0.011 0.000 0.989 188 L N 2.278 123.515 121.223 0.023 0.000 2.292 188 L HA 0.436 4.777 4.340 0.000 0.000 0.284 188 L C 0.761 177.788 176.870 0.262 0.000 1.065 188 L CA 0.033 54.938 54.840 0.109 0.000 0.806 188 L CB 0.353 42.375 42.059 -0.061 0.000 1.175 188 L HN 0.581 nan 8.230 nan 0.000 0.431 189 E N 2.709 123.091 120.200 0.304 0.000 2.218 189 E HA 0.309 4.659 4.350 0.000 0.000 0.263 189 E C -1.305 175.301 176.600 0.009 0.000 0.879 189 E CA -0.927 55.592 56.400 0.199 0.000 0.762 189 E CB 2.222 31.954 29.700 0.054 0.000 1.166 189 E HN 0.397 nan 8.360 nan 0.000 0.415 190 L N 4.299 125.361 121.223 -0.268 0.000 2.410 190 L HA 0.263 4.604 4.340 0.000 0.000 0.273 190 L C -0.753 175.823 176.870 -0.489 0.000 1.152 190 L CA 0.713 55.030 54.840 -0.871 0.000 0.855 190 L CB 0.349 41.844 42.059 -0.941 0.000 1.129 190 L HN 0.469 nan 8.230 nan 0.000 0.463 191 K N 4.082 124.142 120.400 -0.566 0.000 2.426 191 K HA 0.407 4.728 4.320 0.000 0.000 0.254 191 K C -0.961 175.487 176.600 -0.253 0.000 0.936 191 K CA -0.871 55.192 56.287 -0.374 0.000 0.801 191 K CB 1.320 33.577 32.500 -0.405 0.000 1.139 191 K HN 0.588 nan 8.250 nan 0.000 0.424 192 N N 1.094 119.706 118.700 -0.147 0.000 2.508 192 N HA 0.334 5.074 4.740 0.000 0.000 0.285 192 N C -0.484 175.001 175.510 -0.042 0.000 1.144 192 N CA 0.129 53.124 53.050 -0.091 0.000 0.978 192 N CB 1.887 40.322 38.487 -0.086 0.000 1.180 192 N HN 0.577 nan 8.380 nan 0.000 0.484 193 T N -1.002 113.529 114.554 -0.038 0.000 2.827 193 T HA 0.236 4.586 4.350 0.000 0.000 0.328 193 T C -1.221 173.434 174.700 -0.076 0.000 1.598 193 T CA -0.607 61.474 62.100 -0.032 0.000 1.043 193 T CB 0.476 69.351 68.868 0.012 0.000 1.447 193 T HN 0.024 nan 8.240 nan 0.000 0.491 194 V N 3.677 123.548 119.914 -0.072 0.000 2.811 194 V HA 0.356 4.476 4.120 0.000 0.000 0.302 194 V C 0.472 176.491 176.094 -0.126 0.000 1.063 194 V CA -0.379 61.864 62.300 -0.095 0.000 1.088 194 V CB 0.976 32.770 31.823 -0.049 0.000 0.982 194 V HN 0.706 nan 8.190 nan 0.000 0.485 195 L N 5.271 126.393 121.223 -0.168 0.000 2.282 195 L HA 0.338 4.678 4.340 0.000 0.000 0.287 195 L C 0.467 177.298 176.870 -0.064 0.000 1.075 195 L CA -0.023 54.668 54.840 -0.248 0.000 0.839 195 L CB 0.172 41.973 42.059 -0.429 0.000 1.219 195 L HN 0.730 nan 8.230 nan 0.000 0.434 196 E N 1.365 121.532 120.200 -0.055 0.000 2.280 196 E HA 0.164 4.514 4.350 0.000 0.000 0.264 196 E C -0.790 175.843 176.600 0.055 0.000 1.064 196 E CA -0.887 55.517 56.400 0.007 0.000 0.900 196 E CB 1.126 30.735 29.700 -0.152 0.000 1.123 196 E HN 0.375 nan 8.360 nan 0.000 0.418 197 D N -0.637 119.831 120.400 0.113 0.000 2.425 197 D HA 0.229 4.869 4.640 0.000 0.000 0.247 197 D C 0.797 177.130 176.300 0.054 0.000 1.147 197 D CA 1.638 55.693 54.000 0.092 0.000 0.879 197 D CB 0.387 41.250 40.800 0.105 0.000 1.179 197 D HN 0.565 nan 8.370 nan 0.000 0.456 198 G N 3.359 112.214 108.800 0.091 0.000 2.259 198 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 198 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 198 G C 0.044 175.017 174.900 0.123 0.000 1.001 198 G CA -0.034 45.118 45.100 0.088 0.000 0.627 198 G HN 0.629 nan 8.290 nan 0.000 0.501 199 D N 1.983 122.464 120.400 0.134 0.000 2.423 199 D HA 0.381 5.021 4.640 0.000 0.000 0.238 199 D C 1.206 177.689 176.300 0.305 0.000 1.142 199 D CA 0.361 54.454 54.000 0.155 0.000 0.884 199 D CB 0.444 41.275 40.800 0.051 0.000 1.199 199 D HN 0.124 nan 8.370 nan 0.000 0.438 200 M N 1.235 120.985 119.600 0.249 0.000 2.274 200 M HA 0.199 4.679 4.480 0.000 0.000 0.344 200 M C 0.336 176.825 176.300 0.316 0.000 1.161 200 M CA -0.803 54.643 55.300 0.244 0.000 1.126 200 M CB 1.100 33.804 32.600 0.174 0.000 1.522 200 M HN 0.166 nan 8.290 nan 0.000 0.461 201 V N -0.831 119.180 119.914 0.162 0.000 3.234 201 V HA 0.472 4.592 4.120 0.000 0.000 0.317 201 V C -0.202 175.996 176.094 0.174 0.000 1.081 201 V CA -1.069 61.304 62.300 0.122 0.000 1.037 201 V CB 1.119 32.844 31.823 -0.164 0.000 1.148 201 V HN 0.856 nan 8.190 nan 0.000 0.453 202 D N 1.012 121.552 120.400 0.233 0.000 2.417 202 D HA 0.219 4.859 4.640 0.000 0.000 0.250 202 D C 1.118 177.470 176.300 0.086 0.000 1.166 202 D CA 0.739 54.850 54.000 0.186 0.000 0.881 202 D CB 1.276 42.172 40.800 0.161 0.000 1.164 202 D HN 0.965 nan 8.370 nan 0.000 0.467 203 T N 0.612 115.162 114.554 -0.006 0.000 3.054 203 T HA 0.379 4.729 4.350 0.000 0.000 0.255 203 T C 1.359 176.060 174.700 0.001 0.000 1.035 203 T CA 0.123 62.100 62.100 -0.204 0.000 0.941 203 T CB 0.313 68.631 68.868 -0.916 0.000 1.026 203 T HN 0.718 nan 8.240 nan 0.000 0.533 204 G N 0.547 109.382 108.800 0.059 0.000 2.175 204 G HA2 -0.194 3.766 3.960 0.000 0.000 0.182 204 G HA3 -0.194 3.766 3.960 0.000 0.000 0.182 204 G C 0.108 174.952 174.900 -0.093 0.000 1.003 204 G CA -0.168 44.922 45.100 -0.017 0.000 0.666 204 G HN 0.518 nan 8.290 nan 0.000 0.506 205 Y N 1.135 121.511 120.300 0.127 0.000 2.636 205 Y HA 0.468 5.018 4.550 0.000 0.000 0.260 205 Y C 1.541 177.632 175.900 0.320 0.000 1.177 205 Y CA 0.632 58.862 58.100 0.217 0.000 1.209 205 Y CB 0.963 39.533 38.460 0.184 0.000 1.166 205 Y HN 1.072 nan 8.280 nan 0.000 0.531 206 G N 0.941 109.931 108.800 0.317 0.000 2.758 206 G HA2 0.044 4.004 3.960 0.000 0.000 0.686 206 G HA3 0.044 4.004 3.960 0.000 0.000 0.686 206 G C -0.559 174.524 174.900 0.304 0.000 1.389 206 G CA -0.623 44.629 45.100 0.253 0.000 0.845 206 G HN 0.569 nan 8.290 nan 0.000 0.572 207 A N 1.276 124.244 122.820 0.246 0.000 2.444 207 A HA 0.803 5.123 4.320 0.000 0.000 0.332 207 A C 0.514 178.229 177.584 0.217 0.000 1.430 207 A CA 0.864 53.053 52.037 0.253 0.000 0.975 207 A CB -0.507 18.650 19.000 0.262 0.000 1.147 207 A HN 1.973 nan 8.150 nan 0.000 0.524 208 M N -0.117 119.478 119.600 -0.009 0.000 2.755 208 M HA 0.540 5.020 4.480 0.000 0.000 0.273 208 M C -1.374 174.767 176.300 -0.265 0.000 1.278 208 M CA -0.866 54.374 55.300 -0.101 0.000 0.819 208 M CB 1.442 33.889 32.600 -0.255 0.000 1.694 208 M HN 0.193 nan 8.290 nan 0.000 0.460 209 D N 0.845 121.204 120.400 -0.069 0.000 2.522 209 D HA 0.320 4.960 4.640 0.000 0.000 0.218 209 D C 0.023 176.285 176.300 -0.065 0.000 1.149 209 D CA -0.238 53.758 54.000 -0.006 0.000 0.981 209 D CB -0.373 40.507 40.800 0.134 0.000 1.041 209 D HN 0.546 nan 8.370 nan 0.000 0.518 210 F N 0.900 120.906 119.950 0.094 0.000 2.346 210 F HA -0.196 4.331 4.527 0.000 0.000 0.301 210 F C 2.651 178.481 175.800 0.050 0.000 1.070 210 F CA 1.002 59.041 58.000 0.064 0.000 1.407 210 F CB -0.361 38.665 39.000 0.043 0.000 1.072 210 F HN 0.334 nan 8.300 nan 0.000 0.543 211 S N -1.262 114.557 115.700 0.199 0.000 2.461 211 S HA -0.102 4.368 4.470 0.000 0.000 0.228 211 S C 1.742 176.395 174.600 0.088 0.000 1.005 211 S CA 1.102 59.381 58.200 0.131 0.000 0.942 211 S CB -0.836 62.428 63.200 0.105 0.000 0.776 211 S HN 0.456 nan 8.310 nan 0.000 0.514 212 T N -2.217 112.383 114.554 0.076 0.000 2.985 212 T HA 0.399 4.749 4.350 0.000 0.000 0.254 212 T C 1.123 175.848 174.700 0.041 0.000 1.021 212 T CA -0.221 61.911 62.100 0.053 0.000 0.957 212 T CB -0.036 68.863 68.868 0.051 0.000 1.047 212 T HN 0.213 nan 8.240 nan 0.000 0.511 213 L N 0.603 121.850 121.223 0.039 0.000 2.556 213 L HA 0.476 4.816 4.340 0.000 0.000 0.226 213 L C 0.468 177.361 176.870 0.038 0.000 1.089 213 L CA 0.671 55.525 54.840 0.022 0.000 0.864 213 L CB 0.066 42.116 42.059 -0.014 0.000 1.067 213 L HN 0.329 nan 8.230 nan 0.000 0.477 214 Q N -0.590 119.253 119.800 0.070 0.000 2.363 214 Q HA 0.188 4.529 4.340 0.000 0.000 0.265 214 Q C -0.277 175.753 176.000 0.050 0.000 1.032 214 Q CA -0.302 55.542 55.803 0.069 0.000 0.746 214 Q CB 1.558 30.371 28.738 0.125 0.000 1.237 214 Q HN -0.001 nan 8.270 nan 0.000 0.475 215 D N 0.439 120.853 120.400 0.022 0.000 2.234 215 D HA -0.101 4.539 4.640 0.000 0.000 0.205 215 D C 1.300 177.601 176.300 0.001 0.000 0.962 215 D CA 1.146 55.153 54.000 0.012 0.000 0.855 215 D CB 0.354 41.154 40.800 0.000 0.000 0.951 215 D HN 0.446 nan 8.370 nan 0.000 0.500 216 T N 0.564 115.109 114.554 -0.014 0.000 2.720 216 T HA -0.159 4.191 4.350 0.000 0.000 0.268 216 T C 0.860 175.543 174.700 -0.028 0.000 1.037 216 T CA 1.059 63.135 62.100 -0.041 0.000 1.144 216 T CB -0.172 68.649 68.868 -0.079 0.000 0.864 216 T HN 0.185 nan 8.240 nan 0.000 0.444 217 K N -1.007 119.392 120.400 -0.002 0.000 3.129 217 K HA -0.153 4.167 4.320 0.000 0.000 0.273 217 K C -0.234 176.370 176.600 0.005 0.000 1.123 217 K CA 0.412 56.724 56.287 0.041 0.000 0.800 217 K CB -2.239 30.305 32.500 0.074 0.000 1.238 217 K HN 0.455 nan 8.250 nan 0.000 0.492 218 C N -0.471 118.737 119.300 -0.152 0.000 3.725 218 C HA 0.117 4.578 4.460 0.000 0.000 0.294 218 C C 1.256 175.967 174.990 -0.464 0.000 2.443 218 C CA -0.708 58.057 59.018 -0.420 0.000 1.613 218 C CB 0.158 27.680 27.740 -0.362 0.000 3.378 218 C HN 0.365 nan 8.230 nan 0.000 0.406 219 E N 1.259 121.265 120.200 -0.323 0.000 2.415 219 E HA 0.146 4.496 4.350 0.000 0.000 0.197 219 E C 0.727 177.090 176.600 -0.396 0.000 1.007 219 E CA 0.857 57.035 56.400 -0.371 0.000 0.890 219 E CB 0.706 30.328 29.700 -0.129 0.000 0.891 219 E HN 0.630 nan 8.360 nan 0.000 0.496 220 V N -2.350 117.366 119.914 -0.330 0.000 3.130 220 V HA 0.560 4.680 4.120 0.000 0.000 0.310 220 V C -2.923 173.091 176.094 -0.133 0.000 1.158 220 V CA -3.080 58.956 62.300 -0.441 0.000 1.029 220 V CB 1.659 32.938 31.823 -0.907 0.000 1.057 220 V HN -0.286 nan 8.190 nan 0.000 0.436 221 P HA 0.073 nan 4.420 nan 0.000 0.267 221 P C 0.737 178.045 177.300 0.013 0.000 1.195 221 P CA 0.047 63.156 63.100 0.016 0.000 0.773 221 P CB 0.366 32.097 31.700 0.050 0.000 0.837 222 L N 2.746 123.930 121.223 -0.063 0.000 2.043 222 L HA -0.236 4.105 4.340 0.000 0.000 0.212 222 L C 1.629 178.522 176.870 0.037 0.000 1.075 222 L CA 2.294 57.073 54.840 -0.102 0.000 0.752 222 L CB -1.387 40.527 42.059 -0.241 0.000 0.891 222 L HN 0.483 nan 8.230 nan 0.000 0.432 223 D N -1.222 119.227 120.400 0.081 0.000 2.312 223 D HA -0.164 4.477 4.640 0.000 0.000 0.211 223 D C 1.619 177.988 176.300 0.114 0.000 0.964 223 D CA 1.392 55.504 54.000 0.187 0.000 0.877 223 D CB -0.383 40.605 40.800 0.312 0.000 0.924 223 D HN 0.594 nan 8.370 nan 0.000 0.515 224 I N -3.537 117.039 120.570 0.011 0.000 4.154 224 I HA 0.312 4.482 4.170 0.000 0.000 0.334 224 I C 1.614 177.658 176.117 -0.123 0.000 1.371 224 I CA -0.743 60.514 61.300 -0.072 0.000 1.110 224 I CB -0.050 37.796 38.000 -0.255 0.000 1.085 224 I HN 0.029 nan 8.210 nan 0.000 0.398 225 C N 1.727 120.992 119.300 -0.058 0.000 2.367 225 C HA -0.173 4.287 4.460 0.000 0.000 0.276 225 C C 2.368 177.403 174.990 0.075 0.000 1.195 225 C CA 1.659 60.670 59.018 -0.011 0.000 1.756 225 C CB -0.607 27.170 27.740 0.062 0.000 2.046 225 C HN 0.649 nan 8.230 nan 0.000 0.453 226 Q N 0.462 120.320 119.800 0.096 0.000 2.172 226 Q HA 0.288 4.628 4.340 0.000 0.000 0.217 226 Q C 0.673 176.749 176.000 0.128 0.000 0.832 226 Q CA 0.049 55.921 55.803 0.115 0.000 1.010 226 Q CB 0.816 29.603 28.738 0.083 0.000 1.133 226 Q HN 0.669 nan 8.270 nan 0.000 0.489 227 S N -0.079 115.713 115.700 0.153 0.000 2.590 227 S HA 0.622 5.092 4.470 0.000 0.000 0.282 227 S C 0.188 174.903 174.600 0.191 0.000 1.136 227 S CA -0.476 57.812 58.200 0.147 0.000 1.030 227 S CB 0.929 64.210 63.200 0.135 0.000 1.195 227 S HN 0.134 nan 8.310 nan 0.000 0.506 228 I N 0.498 121.149 120.570 0.134 0.000 2.512 228 I HA 0.306 4.476 4.170 0.000 0.000 0.287 228 I C -1.299 174.873 176.117 0.093 0.000 1.069 228 I CA -0.272 61.066 61.300 0.064 0.000 1.056 228 I CB 1.547 39.459 38.000 -0.148 0.000 1.229 228 I HN 0.495 nan 8.210 nan 0.000 0.429 229 C N 5.771 125.185 119.300 0.190 0.000 2.285 229 C HA 0.493 4.954 4.460 0.000 0.000 0.335 229 C C 0.307 175.413 174.990 0.193 0.000 1.267 229 C CA -0.840 58.323 59.018 0.242 0.000 1.762 229 C CB -0.201 27.761 27.740 0.371 0.000 2.365 229 C HN 0.654 nan 8.230 nan 0.000 0.527 230 K N 1.835 122.371 120.400 0.228 0.000 2.221 230 K HA 0.581 4.901 4.320 0.000 0.000 0.243 230 K C -1.301 175.530 176.600 0.384 0.000 0.968 230 K CA -0.589 55.816 56.287 0.197 0.000 0.846 230 K CB 1.891 34.384 32.500 -0.012 0.000 1.141 230 K HN 0.624 nan 8.250 nan 0.000 0.434 231 Y N 1.463 121.846 120.300 0.140 0.000 2.425 231 Y HA 0.316 4.867 4.550 0.000 0.000 0.344 231 Y C -2.674 173.232 175.900 0.010 0.000 0.969 231 Y CA -2.597 55.604 58.100 0.168 0.000 1.052 231 Y CB 1.684 40.242 38.460 0.163 0.000 1.215 231 Y HN 0.405 nan 8.280 nan 0.000 0.451 232 P HA -0.043 nan 4.420 nan 0.000 0.264 232 P C -0.655 176.214 177.300 -0.717 0.000 1.183 232 P CA 0.494 63.123 63.100 -0.784 0.000 0.763 232 P CB 0.518 31.431 31.700 -1.312 0.000 0.807 233 D N 2.579 122.718 120.400 -0.435 0.000 2.767 233 D HA 0.050 4.690 4.640 0.000 0.000 0.241 233 D C 0.596 176.802 176.300 -0.157 0.000 1.187 233 D CA -0.278 53.605 54.000 -0.195 0.000 0.999 233 D CB -0.435 40.291 40.800 -0.123 0.000 1.042 233 D HN 0.292 nan 8.370 nan 0.000 0.510 234 Y N 0.492 120.747 120.300 -0.076 0.000 2.193 234 Y HA -0.234 4.316 4.550 0.000 0.000 0.285 234 Y C 2.288 178.176 175.900 -0.021 0.000 1.166 234 Y CA 0.828 58.895 58.100 -0.054 0.000 1.181 234 Y CB -0.125 38.306 38.460 -0.048 0.000 0.976 234 Y HN 0.287 nan 8.280 nan 0.000 0.520 235 L N -0.286 121.034 121.223 0.161 0.000 1.994 235 L HA -0.287 4.053 4.340 0.000 0.000 0.208 235 L C 2.688 179.588 176.870 0.050 0.000 1.071 235 L CA 2.011 56.908 54.840 0.096 0.000 0.745 235 L CB -0.631 41.480 42.059 0.087 0.000 0.892 235 L HN 0.267 nan 8.230 nan 0.000 0.431 236 Q N -0.024 119.789 119.800 0.022 0.000 2.124 236 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 236 Q C 2.204 178.202 176.000 -0.003 0.000 0.977 236 Q CA 1.606 57.408 55.803 -0.001 0.000 0.850 236 Q CB -0.069 28.653 28.738 -0.026 0.000 0.901 236 Q HN 0.439 nan 8.270 nan 0.000 0.429 237 M N -0.263 119.331 119.600 -0.011 0.000 2.394 237 M HA -0.055 4.426 4.480 0.000 0.000 0.264 237 M C 1.793 178.107 176.300 0.023 0.000 1.073 237 M CA 0.950 56.244 55.300 -0.011 0.000 1.111 237 M CB 0.259 32.830 32.600 -0.048 0.000 1.401 237 M HN 0.174 nan 8.290 nan 0.000 0.448 238 S N 0.388 116.111 115.700 0.038 0.000 2.458 238 S HA 0.110 4.580 4.470 0.000 0.000 0.223 238 S C 1.999 176.613 174.600 0.023 0.000 1.019 238 S CA 0.851 59.074 58.200 0.038 0.000 0.937 238 S CB -0.001 63.227 63.200 0.046 0.000 0.788 238 S HN 0.530 nan 8.310 nan 0.000 0.511 239 A N 1.350 124.183 122.820 0.022 0.000 2.016 239 A HA 0.086 4.406 4.320 0.000 0.000 0.217 239 A C 0.783 178.376 177.584 0.014 0.000 1.162 239 A CA 0.173 52.219 52.037 0.014 0.000 0.662 239 A CB -0.469 18.540 19.000 0.014 0.000 0.812 239 A HN 0.420 nan 8.150 nan 0.000 0.450 240 D N 0.609 121.022 120.400 0.022 0.000 2.648 240 D HA 0.001 4.641 4.640 0.000 0.000 0.229 240 D C -0.621 175.702 176.300 0.038 0.000 1.119 240 D CA -0.477 53.543 54.000 0.034 0.000 0.850 240 D CB 0.861 41.696 40.800 0.057 0.000 1.169 240 D HN 0.163 nan 8.370 nan 0.000 0.489 241 P HA -0.227 nan 4.420 nan 0.000 0.211 241 P C 1.030 178.315 177.300 -0.026 0.000 1.179 241 P CA 1.576 64.621 63.100 -0.092 0.000 0.910 241 P CB -0.126 31.399 31.700 -0.292 0.000 0.785 242 Y N -0.189 120.217 120.300 0.176 0.000 2.220 242 Y HA 0.139 4.689 4.550 0.000 0.000 0.291 242 Y C 1.927 177.992 175.900 0.274 0.000 1.129 242 Y CA 1.117 59.359 58.100 0.238 0.000 1.161 242 Y CB -0.865 37.696 38.460 0.169 0.000 0.997 242 Y HN 0.122 nan 8.280 nan 0.000 0.522 243 G N 0.505 109.503 108.800 0.330 0.000 2.248 243 G HA2 -0.232 3.728 3.960 0.000 0.000 0.263 243 G HA3 -0.232 3.728 3.960 0.000 0.000 0.263 243 G C 0.102 175.175 174.900 0.289 0.000 1.082 243 G CA 0.402 45.654 45.100 0.254 0.000 0.863 243 G HN 0.368 nan 8.290 nan 0.000 0.495 244 D N -0.038 120.521 120.400 0.265 0.000 2.346 244 D HA 0.069 4.709 4.640 0.000 0.000 0.206 244 D C 2.370 178.688 176.300 0.031 0.000 1.001 244 D CA 0.959 55.108 54.000 0.248 0.000 0.871 244 D CB 0.080 41.046 40.800 0.278 0.000 0.943 244 D HN 0.398 nan 8.370 nan 0.000 0.518 245 S N 0.487 116.184 115.700 -0.006 0.000 2.399 245 S HA -0.079 4.391 4.470 0.000 0.000 0.231 245 S C 1.121 175.613 174.600 -0.179 0.000 1.022 245 S CA 0.743 58.873 58.200 -0.117 0.000 0.983 245 S CB -0.122 63.028 63.200 -0.084 0.000 0.803 245 S HN 0.434 nan 8.310 nan 0.000 0.480 246 M N -0.641 118.874 119.600 -0.142 0.000 2.331 246 M HA 0.417 4.897 4.480 0.000 0.000 0.249 246 M C -1.277 175.010 176.300 -0.021 0.000 1.010 246 M CA -0.691 54.505 55.300 -0.174 0.000 0.939 246 M CB 0.637 33.198 32.600 -0.065 0.000 2.126 246 M HN -0.004 nan 8.290 nan 0.000 0.472 247 F N 1.193 121.243 119.950 0.166 0.000 2.735 247 F HA 0.761 5.289 4.527 0.000 0.000 0.304 247 F C -1.050 174.911 175.800 0.267 0.000 1.119 247 F CA -1.345 56.759 58.000 0.174 0.000 1.280 247 F CB 0.022 39.116 39.000 0.155 0.000 0.994 247 F HN 0.508 nan 8.300 nan 0.000 0.520 248 F N 1.276 121.377 119.950 0.251 0.000 2.652 248 F HA 0.521 5.049 4.527 0.000 0.000 0.320 248 F C -1.856 173.996 175.800 0.088 0.000 1.115 248 F CA -1.622 56.491 58.000 0.188 0.000 1.053 248 F CB 1.050 40.200 39.000 0.249 0.000 1.297 248 F HN 0.127 nan 8.300 nan 0.000 0.471 249 C N 7.790 126.787 119.300 -0.505 0.000 2.716 249 C HA 0.855 5.315 4.460 0.000 0.000 0.366 249 C C -2.303 172.402 174.990 -0.476 0.000 1.073 249 C CA -0.552 58.274 59.018 -0.320 0.000 1.260 249 C CB 0.303 28.007 27.740 -0.061 0.000 1.755 249 C HN 0.768 nan 8.230 nan 0.000 0.475 250 L N 6.530 127.534 121.223 -0.364 0.000 2.409 250 L HA 0.791 5.132 4.340 0.000 0.000 0.272 250 L C -0.023 176.755 176.870 -0.154 0.000 0.980 250 L CA -0.070 54.567 54.840 -0.339 0.000 0.826 250 L CB 1.784 43.567 42.059 -0.461 0.000 1.268 250 L HN 0.881 nan 8.230 nan 0.000 0.407 251 R N 2.293 122.710 120.500 -0.140 0.000 2.808 251 R HA 0.960 5.300 4.340 0.000 0.000 0.272 251 R C -1.008 175.252 176.300 -0.068 0.000 0.995 251 R CA -1.121 54.944 56.100 -0.058 0.000 0.917 251 R CB 2.256 32.519 30.300 -0.061 0.000 1.217 251 R HN 0.488 nan 8.270 nan 0.000 0.471 252 R N 1.316 121.808 120.500 -0.014 0.000 2.879 252 R HA 0.130 4.470 4.340 0.000 0.000 0.291 252 R C -1.662 174.664 176.300 0.043 0.000 1.246 252 R CA -0.297 55.798 56.100 -0.008 0.000 1.083 252 R CB 1.286 31.560 30.300 -0.044 0.000 1.274 252 R HN 0.983 nan 8.270 nan 0.000 0.393 253 E N 3.842 124.079 120.200 0.062 0.000 2.359 253 E HA 0.506 4.856 4.350 0.000 0.000 0.266 253 E C -1.393 175.254 176.600 0.079 0.000 0.920 253 E CA -1.072 55.384 56.400 0.093 0.000 0.788 253 E CB 2.699 32.478 29.700 0.132 0.000 1.279 253 E HN 0.583 nan 8.360 nan 0.000 0.438 254 Q N 0.713 120.570 119.800 0.094 0.000 2.617 254 Q HA 0.521 4.862 4.340 0.000 0.000 0.270 254 Q C -1.443 174.627 176.000 0.117 0.000 0.967 254 Q CA -1.102 54.758 55.803 0.094 0.000 0.887 254 Q CB 1.466 30.256 28.738 0.087 0.000 1.516 254 Q HN 0.612 nan 8.270 nan 0.000 0.395 255 L N -1.405 119.898 121.223 0.133 0.000 3.133 255 L HA 0.885 5.225 4.340 0.000 0.000 0.289 255 L C -1.695 175.323 176.870 0.247 0.000 1.012 255 L CA -0.811 54.116 54.840 0.146 0.000 1.001 255 L CB 0.485 42.579 42.059 0.060 0.000 1.580 255 L HN 1.159 nan 8.230 nan 0.000 0.373 256 F N -1.374 118.583 119.950 0.012 0.000 2.770 256 F HA 0.887 5.414 4.527 0.000 0.000 0.313 256 F C -1.048 174.753 175.800 0.000 0.000 1.154 256 F CA -0.636 57.365 58.000 0.003 0.000 0.923 256 F CB 0.917 39.914 39.000 -0.005 0.000 1.301 256 F HN 0.904 nan 8.300 nan 0.000 0.449 257 A N 2.493 125.412 122.820 0.165 0.000 2.310 257 A HA 0.586 4.906 4.320 0.000 0.000 0.300 257 A C 0.847 178.418 177.584 -0.022 0.000 1.269 257 A CA -0.298 51.773 52.037 0.057 0.000 0.909 257 A CB 0.649 19.830 19.000 0.301 0.000 1.144 257 A HN 0.926 nan 8.150 nan 0.000 0.540 258 R N 1.893 122.188 120.500 -0.342 0.000 2.052 258 R HA 0.090 4.430 4.340 0.000 0.000 0.224 258 R C -0.175 175.739 176.300 -0.644 0.000 1.149 258 R CA 1.553 57.427 56.100 -0.377 0.000 0.962 258 R CB -0.170 29.932 30.300 -0.330 0.000 0.856 258 R HN 0.837 nan 8.270 nan 0.000 0.433 259 H N -1.846 116.907 119.070 -0.529 0.000 2.690 259 H HA 0.386 4.942 4.556 0.000 0.000 0.368 259 H C -1.250 173.683 175.328 -0.659 0.000 1.150 259 H CA -0.620 54.942 56.048 -0.809 0.000 1.174 259 H CB 1.588 30.726 29.762 -1.040 0.000 1.684 259 H HN 0.012 nan 8.280 nan 0.000 0.538 260 F N 2.130 121.784 119.950 -0.495 0.000 2.427 260 F HA 0.304 4.831 4.527 0.000 0.000 0.346 260 F C -0.487 175.198 175.800 -0.191 0.000 1.120 260 F CA -0.793 57.034 58.000 -0.288 0.000 1.033 260 F CB 1.285 40.207 39.000 -0.130 0.000 1.126 260 F HN 0.220 nan 8.300 nan 0.000 0.462 261 W N 1.385 122.909 121.300 0.375 0.000 2.967 261 W HA 0.355 5.015 4.660 0.000 0.000 0.342 261 W C -0.710 175.974 176.519 0.275 0.000 1.162 261 W CA -1.114 56.407 57.345 0.293 0.000 1.085 261 W CB 1.349 30.970 29.460 0.269 0.000 1.460 261 W HN 0.412 nan 8.180 nan 0.000 0.584 262 N N 0.267 119.241 118.700 0.457 0.000 2.471 262 N HA 0.492 5.232 4.740 0.000 0.000 0.288 262 N C -0.824 174.743 175.510 0.094 0.000 1.220 262 N CA -0.650 52.514 53.050 0.191 0.000 0.893 262 N CB 1.318 39.884 38.487 0.132 0.000 1.256 262 N HN -0.047 nan 8.380 nan 0.000 0.534 263 R N 0.932 121.417 120.500 -0.024 0.000 2.480 263 R HA 0.448 4.788 4.340 0.000 0.000 0.306 263 R C -0.959 175.298 176.300 -0.072 0.000 0.958 263 R CA -0.623 55.445 56.100 -0.054 0.000 0.861 263 R CB 1.424 31.683 30.300 -0.068 0.000 1.171 263 R HN 0.598 nan 8.270 nan 0.000 0.445 264 A N 1.229 124.002 122.820 -0.078 0.000 2.371 264 A HA 0.724 5.044 4.320 0.000 0.000 0.257 264 A C 0.495 178.035 177.584 -0.073 0.000 1.089 264 A CA 0.643 52.637 52.037 -0.071 0.000 0.794 264 A CB 0.506 19.462 19.000 -0.072 0.000 1.029 264 A HN 0.851 nan 8.150 nan 0.000 0.488 265 G N -0.263 108.499 108.800 -0.062 0.000 2.353 265 G HA2 0.474 4.434 3.960 0.000 0.000 0.424 265 G HA3 0.474 4.434 3.960 0.000 0.000 0.424 265 G C -0.269 174.599 174.900 -0.053 0.000 1.320 265 G CA -0.094 44.971 45.100 -0.058 0.000 0.995 265 G HN 1.915 nan 8.290 nan 0.000 0.580 266 T N -1.089 113.437 114.554 -0.046 0.000 2.913 266 T HA 0.630 4.980 4.350 0.000 0.000 0.287 266 T C 0.747 175.421 174.700 -0.044 0.000 1.008 266 T CA -0.672 61.403 62.100 -0.041 0.000 1.067 266 T CB 1.164 70.013 68.868 -0.031 0.000 0.996 266 T HN 0.579 nan 8.240 nan 0.000 0.513 267 M N 3.125 122.699 119.600 -0.043 0.000 2.143 267 M HA 0.245 4.725 4.480 0.000 0.000 0.348 267 M C 1.647 177.928 176.300 -0.031 0.000 1.375 267 M CA -0.459 54.815 55.300 -0.045 0.000 1.124 267 M CB 0.232 32.804 32.600 -0.047 0.000 1.669 267 M HN 1.094 nan 8.290 nan 0.000 0.469 268 G N 3.584 112.365 108.800 -0.032 0.000 2.484 268 G HA2 -0.103 3.857 3.960 0.000 0.000 0.215 268 G HA3 -0.103 3.857 3.960 0.000 0.000 0.215 268 G C 0.256 175.146 174.900 -0.018 0.000 1.219 268 G CA 0.387 45.473 45.100 -0.024 0.000 0.791 268 G HN 0.617 nan 8.290 nan 0.000 0.550 269 D N 1.073 121.462 120.400 -0.019 0.000 2.264 269 D HA 0.352 4.992 4.640 0.000 0.000 0.250 269 D C -0.149 176.149 176.300 -0.003 0.000 1.113 269 D CA 0.193 54.187 54.000 -0.010 0.000 0.871 269 D CB 1.354 42.147 40.800 -0.012 0.000 1.167 269 D HN -0.002 nan 8.370 nan 0.000 0.447 270 T N 0.773 115.332 114.554 0.009 0.000 2.817 270 T HA 0.209 4.559 4.350 0.000 0.000 0.293 270 T C 0.678 175.407 174.700 0.049 0.000 0.964 270 T CA -0.749 61.366 62.100 0.024 0.000 1.085 270 T CB 1.131 70.017 68.868 0.031 0.000 0.921 270 T HN 0.033 nan 8.240 nan 0.000 0.502 271 V N 6.220 126.174 119.914 0.066 0.000 2.458 271 V HA 0.095 4.215 4.120 0.000 0.000 0.287 271 V C -1.837 174.377 176.094 0.200 0.000 1.009 271 V CA -1.373 60.999 62.300 0.119 0.000 1.091 271 V CB -0.522 31.360 31.823 0.098 0.000 0.960 271 V HN 0.743 nan 8.190 nan 0.000 0.476 272 P HA 0.018 nan 4.420 nan 0.000 0.261 272 P C 0.743 178.065 177.300 0.037 0.000 1.203 272 P CA 0.063 63.211 63.100 0.080 0.000 0.767 272 P CB 0.293 32.021 31.700 0.047 0.000 0.785 273 Q N 1.736 121.497 119.800 -0.066 0.000 2.677 273 Q HA -0.176 4.164 4.340 0.000 0.000 0.219 273 Q C 1.355 177.151 176.000 -0.339 0.000 0.962 273 Q CA 1.484 57.087 55.803 -0.334 0.000 0.957 273 Q CB -0.309 28.306 28.738 -0.205 0.000 0.992 273 Q HN 0.573 nan 8.270 nan 0.000 0.596 274 S N -2.017 113.579 115.700 -0.172 0.000 2.497 274 S HA 0.091 4.561 4.470 0.000 0.000 0.221 274 S C 1.476 176.019 174.600 -0.095 0.000 1.037 274 S CA -0.245 57.876 58.200 -0.131 0.000 0.920 274 S CB 0.097 63.266 63.200 -0.053 0.000 0.800 274 S HN 0.360 nan 8.310 nan 0.000 0.505 275 L N 1.635 122.852 121.223 -0.011 0.000 2.627 275 L HA 0.380 4.720 4.340 0.000 0.000 0.232 275 L C 0.014 177.016 176.870 0.219 0.000 1.150 275 L CA -0.354 54.551 54.840 0.108 0.000 0.917 275 L CB -0.533 41.624 42.059 0.164 0.000 1.104 275 L HN 0.606 nan 8.230 nan 0.000 0.445 276 Y N -3.213 117.093 120.300 0.011 0.000 2.788 276 Y HA 0.599 5.149 4.550 0.000 0.000 0.335 276 Y C -1.025 174.881 175.900 0.010 0.000 1.287 276 Y CA -1.722 56.386 58.100 0.013 0.000 1.068 276 Y CB 0.923 39.394 38.460 0.017 0.000 1.340 276 Y HN -0.300 nan 8.280 nan 0.000 0.449 277 I N 3.146 123.836 120.570 0.200 0.000 2.389 277 I HA 0.317 4.487 4.170 0.000 0.000 0.288 277 I C -0.662 175.575 176.117 0.200 0.000 0.999 277 I CA -1.119 60.233 61.300 0.088 0.000 1.129 277 I CB 1.751 39.790 38.000 0.066 0.000 1.288 277 I HN 0.624 nan 8.210 nan 0.000 0.444 278 K N 4.518 124.996 120.400 0.130 0.000 2.469 278 K HA 0.332 4.652 4.320 0.000 0.000 0.274 278 K C 0.489 177.158 176.600 0.116 0.000 0.983 278 K CA -0.176 56.219 56.287 0.180 0.000 0.974 278 K CB 0.765 33.325 32.500 0.100 0.000 0.913 278 K HN 0.803 nan 8.250 nan 0.000 0.493 279 G N 0.779 109.643 108.800 0.106 0.000 3.217 279 G HA2 0.549 4.509 3.960 0.000 0.000 0.213 279 G HA3 0.549 4.509 3.960 0.000 0.000 0.213 279 G C -0.838 174.093 174.900 0.052 0.000 1.294 279 G CA -0.523 44.617 45.100 0.067 0.000 0.987 279 G HN 0.656 nan 8.290 nan 0.000 0.584 280 T N -3.362 111.215 114.554 0.038 0.000 2.907 280 T HA 0.716 5.066 4.350 0.000 0.000 0.290 280 T C 0.843 175.559 174.700 0.026 0.000 1.066 280 T CA 0.482 62.600 62.100 0.030 0.000 1.012 280 T CB 1.257 70.139 68.868 0.024 0.000 1.184 280 T HN 2.333 nan 8.240 nan 0.000 0.522 281 G N 1.603 110.415 108.800 0.021 0.000 2.564 281 G HA2 -0.345 3.615 3.960 0.000 0.000 0.273 281 G HA3 -0.345 3.615 3.960 0.000 0.000 0.273 281 G C 0.980 175.889 174.900 0.016 0.000 1.242 281 G CA 1.012 46.123 45.100 0.017 0.000 0.951 281 G HN 1.550 nan 8.290 nan 0.000 0.564 282 M N -0.687 118.921 119.600 0.014 0.000 2.149 282 M HA 0.043 4.523 4.480 0.000 0.000 0.261 282 M C 2.233 178.539 176.300 0.010 0.000 1.064 282 M CA 2.561 57.867 55.300 0.010 0.000 1.102 282 M CB -0.330 32.277 32.600 0.010 0.000 1.369 282 M HN 0.420 nan 8.290 nan 0.000 0.408 283 R N 0.791 121.300 120.500 0.015 0.000 2.346 283 R HA 0.164 4.504 4.340 0.000 0.000 0.199 283 R C 2.089 178.407 176.300 0.030 0.000 1.015 283 R CA 0.415 56.525 56.100 0.016 0.000 1.058 283 R CB -0.267 30.047 30.300 0.023 0.000 0.921 283 R HN 0.622 nan 8.270 nan 0.000 0.475 284 A N 0.084 122.924 122.820 0.032 0.000 1.872 284 A HA -0.025 4.295 4.320 0.000 0.000 0.214 284 A C 1.167 178.793 177.584 0.069 0.000 1.187 284 A CA 0.919 52.987 52.037 0.052 0.000 0.614 284 A CB 0.131 19.155 19.000 0.040 0.000 0.826 284 A HN 0.211 nan 8.150 nan 0.000 0.442 285 S N 0.260 115.981 115.700 0.034 0.000 2.501 285 S HA 0.563 5.033 4.470 0.000 0.000 0.301 285 S C -2.838 171.727 174.600 -0.058 0.000 1.096 285 S CA -1.786 56.427 58.200 0.021 0.000 1.063 285 S CB 1.177 64.390 63.200 0.022 0.000 1.042 285 S HN 0.256 nan 8.310 nan 0.000 0.494 286 P HA 0.247 nan 4.420 nan 0.000 0.268 286 P C 0.467 177.694 177.300 -0.122 0.000 1.205 286 P CA -0.177 62.781 63.100 -0.237 0.000 0.771 286 P CB 0.414 31.848 31.700 -0.444 0.000 0.858 287 G N 1.358 110.100 108.800 -0.097 0.000 2.666 287 G HA2 0.183 4.143 3.960 0.000 0.000 0.207 287 G HA3 0.183 4.143 3.960 0.000 0.000 0.207 287 G C -0.265 174.582 174.900 -0.088 0.000 1.481 287 G CA -0.399 44.662 45.100 -0.066 0.000 1.071 287 G HN 0.594 nan 8.290 nan 0.000 0.572 288 S N -1.772 113.872 115.700 -0.094 0.000 2.549 288 S HA 0.227 4.697 4.470 0.000 0.000 0.279 288 S C 0.352 174.785 174.600 -0.278 0.000 1.321 288 S CA -0.641 57.465 58.200 -0.156 0.000 1.054 288 S CB 0.073 63.185 63.200 -0.147 0.000 0.899 288 S HN 0.523 nan 8.310 nan 0.000 0.497 289 C N 5.034 124.142 119.300 -0.319 0.000 2.849 289 C HA 0.387 4.847 4.460 0.000 0.000 0.271 289 C C -0.303 174.357 174.990 -0.549 0.000 1.519 289 C CA -0.738 58.016 59.018 -0.441 0.000 1.783 289 C CB -1.322 26.338 27.740 -0.134 0.000 2.869 289 C HN 0.622 nan 8.230 nan 0.000 0.527 290 V N 1.726 121.299 119.914 -0.569 0.000 2.293 290 V HA 0.380 4.500 4.120 0.000 0.000 0.275 290 V C -0.779 175.086 176.094 -0.382 0.000 1.021 290 V CA -0.325 61.775 62.300 -0.333 0.000 0.815 290 V CB -0.101 31.625 31.823 -0.162 0.000 1.025 290 V HN 0.443 nan 8.190 nan 0.000 0.448 291 Y N 2.261 122.581 120.300 0.034 0.000 2.387 291 Y HA 0.711 5.261 4.550 0.000 0.000 0.330 291 Y C 0.651 176.592 175.900 0.068 0.000 1.133 291 Y CA -0.665 57.470 58.100 0.058 0.000 1.152 291 Y CB 2.154 40.616 38.460 0.003 0.000 1.215 291 Y HN 0.635 nan 8.280 nan 0.000 0.466 292 S N 2.596 118.467 115.700 0.285 0.000 2.649 292 S HA 0.556 5.027 4.470 0.000 0.000 0.274 292 S C -3.340 171.412 174.600 0.254 0.000 1.176 292 S CA -1.433 56.906 58.200 0.231 0.000 0.988 292 S CB 2.227 65.591 63.200 0.273 0.000 1.071 292 S HN 0.398 nan 8.310 nan 0.000 0.478 293 P HA 0.403 nan 4.420 nan 0.000 0.284 293 P C -0.404 176.888 177.300 -0.013 0.000 1.258 293 P CA -0.492 62.648 63.100 0.066 0.000 0.824 293 P CB 1.398 33.115 31.700 0.029 0.000 1.038 294 S N 2.236 117.875 115.700 -0.101 0.000 2.489 294 S HA 0.410 4.880 4.470 0.000 0.000 0.277 294 S C -1.960 172.531 174.600 -0.183 0.000 1.230 294 S CA -1.256 56.901 58.200 -0.071 0.000 1.053 294 S CB 0.170 63.314 63.200 -0.094 0.000 0.955 294 S HN 0.346 nan 8.310 nan 0.000 0.488 295 P HA 0.342 nan 4.420 nan 0.000 0.275 295 P C -0.483 176.662 177.300 -0.259 0.000 1.266 295 P CA -0.453 62.519 63.100 -0.214 0.000 0.793 295 P CB 0.896 32.511 31.700 -0.141 0.000 1.074 296 S N -1.132 114.367 115.700 -0.335 0.000 2.596 296 S HA 0.498 4.968 4.470 0.000 0.000 0.305 296 S C -0.727 173.723 174.600 -0.249 0.000 1.086 296 S CA -0.610 57.354 58.200 -0.394 0.000 0.909 296 S CB -0.044 62.672 63.200 -0.805 0.000 1.106 296 S HN 0.680 nan 8.310 nan 0.000 0.450 297 G N 2.511 111.306 108.800 -0.008 0.000 2.356 297 G HA2 0.523 4.483 3.960 0.000 0.000 0.298 297 G HA3 0.523 4.483 3.960 0.000 0.000 0.298 297 G C 0.510 175.531 174.900 0.203 0.000 1.145 297 G CA -0.078 45.096 45.100 0.124 0.000 0.850 297 G HN 0.768 nan 8.290 nan 0.000 0.487 298 S N 1.195 117.077 115.700 0.303 0.000 2.184 298 S HA 0.186 4.656 4.470 0.000 0.000 0.202 298 S C 1.000 175.695 174.600 0.158 0.000 1.373 298 S CA -0.392 57.983 58.200 0.292 0.000 1.117 298 S CB -0.210 63.099 63.200 0.182 0.000 0.715 298 S HN 0.370 nan 8.310 nan 0.000 0.427 299 I N 1.152 121.781 120.570 0.098 0.000 2.710 299 I HA 0.136 4.306 4.170 0.000 0.000 0.286 299 I C -0.059 176.097 176.117 0.066 0.000 1.181 299 I CA 0.395 61.734 61.300 0.067 0.000 1.430 299 I CB 0.765 38.786 38.000 0.035 0.000 1.367 299 I HN 0.203 nan 8.210 nan 0.000 0.577 300 V N 6.880 126.831 119.914 0.061 0.000 2.347 300 V HA 0.579 4.699 4.120 0.000 0.000 0.280 300 V C -0.143 175.975 176.094 0.041 0.000 1.021 300 V CA 0.105 62.440 62.300 0.057 0.000 0.847 300 V CB 1.462 33.324 31.823 0.064 0.000 0.990 300 V HN 0.861 nan 8.190 nan 0.000 0.444 301 T N 3.085 117.659 114.554 0.033 0.000 2.916 301 T HA 0.392 4.742 4.350 0.000 0.000 0.292 301 T C 1.151 175.862 174.700 0.019 0.000 1.055 301 T CA 0.133 62.247 62.100 0.023 0.000 1.009 301 T CB 1.929 70.807 68.868 0.016 0.000 1.118 301 T HN 1.019 nan 8.240 nan 0.000 0.497 302 S N 1.760 117.469 115.700 0.015 0.000 2.453 302 S HA -0.054 4.416 4.470 0.000 0.000 0.231 302 S C 1.234 175.838 174.600 0.005 0.000 1.005 302 S CA 0.836 59.044 58.200 0.012 0.000 0.949 302 S CB -0.318 62.888 63.200 0.009 0.000 0.774 302 S HN 0.772 nan 8.310 nan 0.000 0.510 303 D N 2.541 122.943 120.400 0.004 0.000 2.182 303 D HA -0.064 4.576 4.640 0.000 0.000 0.201 303 D C 1.591 177.889 176.300 -0.003 0.000 0.986 303 D CA 1.595 55.595 54.000 -0.001 0.000 0.847 303 D CB -0.313 40.486 40.800 -0.000 0.000 0.942 303 D HN 0.699 nan 8.370 nan 0.000 0.467 304 S N -0.319 115.380 115.700 -0.002 0.000 2.573 304 S HA 0.158 4.629 4.470 0.000 0.000 0.244 304 S C 0.518 175.105 174.600 -0.022 0.000 0.984 304 S CA -0.627 57.568 58.200 -0.008 0.000 1.001 304 S CB 0.527 63.726 63.200 -0.002 0.000 0.788 304 S HN -0.096 nan 8.310 nan 0.000 0.456 305 Q N 0.994 120.783 119.800 -0.018 0.000 2.352 305 Q HA 0.457 4.797 4.340 0.000 0.000 0.260 305 Q C 0.417 176.368 176.000 -0.082 0.000 0.976 305 Q CA -0.195 55.588 55.803 -0.033 0.000 0.881 305 Q CB 1.096 29.837 28.738 0.005 0.000 1.235 305 Q HN 0.386 nan 8.270 nan 0.000 0.419 306 L N 2.803 123.890 121.223 -0.227 0.000 2.556 306 L HA 0.394 4.734 4.340 0.000 0.000 0.226 306 L C -0.548 176.114 176.870 -0.346 0.000 1.089 306 L CA 0.470 55.097 54.840 -0.354 0.000 0.864 306 L CB 0.264 41.933 42.059 -0.649 0.000 1.067 306 L HN 0.623 nan 8.230 nan 0.000 0.477 307 F N -1.000 119.013 119.950 0.104 0.000 2.544 307 F HA 0.302 4.829 4.527 0.000 0.000 0.378 307 F C 1.427 177.219 175.800 -0.014 0.000 1.112 307 F CA -0.743 57.301 58.000 0.073 0.000 1.115 307 F CB 0.222 39.239 39.000 0.028 0.000 1.436 307 F HN -0.155 nan 8.300 nan 0.000 0.496 308 N N -0.629 118.185 118.700 0.190 0.000 2.778 308 N HA -0.229 4.511 4.740 0.000 0.000 0.249 308 N C -1.084 174.389 175.510 -0.062 0.000 1.069 308 N CA 0.726 53.790 53.050 0.023 0.000 0.831 308 N CB -0.743 37.756 38.487 0.019 0.000 1.142 308 N HN 0.389 nan 8.380 nan 0.000 0.573 309 K N 0.251 120.579 120.400 -0.120 0.000 2.318 309 K HA 0.498 4.818 4.320 0.000 0.000 0.249 309 K C -2.594 173.677 176.600 -0.549 0.000 0.942 309 K CA -1.638 54.453 56.287 -0.327 0.000 0.808 309 K CB 2.307 34.561 32.500 -0.411 0.000 1.189 309 K HN -0.139 nan 8.250 nan 0.000 0.428 310 P HA 0.244 nan 4.420 nan 0.000 0.282 310 P C -1.427 175.157 177.300 -1.193 0.000 1.259 310 P CA -0.421 62.184 63.100 -0.824 0.000 0.826 310 P CB 0.752 31.968 31.700 -0.806 0.000 1.064 311 Y N -0.593 119.224 120.300 -0.805 0.000 2.457 311 Y HA 0.370 4.920 4.550 0.000 0.000 0.343 311 Y C -0.613 174.876 175.900 -0.686 0.000 0.994 311 Y CA -0.476 57.266 58.100 -0.596 0.000 1.031 311 Y CB 1.824 40.223 38.460 -0.102 0.000 1.246 311 Y HN 0.352 nan 8.280 nan 0.000 0.449 312 W N 4.642 126.068 121.300 0.210 0.000 2.475 312 W HA 0.633 5.293 4.660 0.000 0.000 0.317 312 W C -0.980 175.686 176.519 0.245 0.000 1.046 312 W CA -0.928 56.510 57.345 0.154 0.000 1.215 312 W CB 0.946 30.497 29.460 0.152 0.000 1.335 312 W HN 0.274 nan 8.180 nan 0.000 0.471 313 L N 5.616 127.026 121.223 0.312 0.000 2.387 313 L HA 0.127 4.467 4.340 0.000 0.000 0.267 313 L C 1.771 178.764 176.870 0.205 0.000 1.197 313 L CA -0.635 54.350 54.840 0.241 0.000 1.070 313 L CB -0.703 41.385 42.059 0.048 0.000 1.349 313 L HN 0.661 nan 8.230 nan 0.000 0.422 314 H N 1.538 120.740 119.070 0.221 0.000 2.290 314 H HA -0.022 4.534 4.556 0.000 0.000 0.298 314 H C -0.044 175.359 175.328 0.124 0.000 1.087 314 H CA 0.792 56.939 56.048 0.166 0.000 1.291 314 H CB -0.026 29.832 29.762 0.161 0.000 1.369 314 H HN 0.413 nan 8.280 nan 0.000 0.492 315 K N 0.401 120.383 120.400 -0.698 0.000 2.729 315 K HA 0.545 4.865 4.320 0.000 0.000 0.269 315 K C -0.781 175.637 176.600 -0.303 0.000 1.065 315 K CA 0.086 56.176 56.287 -0.328 0.000 1.000 315 K CB 2.642 35.062 32.500 -0.134 0.000 1.283 315 K HN 0.449 nan 8.250 nan 0.000 0.491 316 A N 1.712 124.466 122.820 -0.111 0.000 2.567 316 A HA -0.101 4.219 4.320 0.000 0.000 0.236 316 A C 1.289 178.901 177.584 0.047 0.000 1.088 316 A CA 0.602 52.660 52.037 0.034 0.000 0.776 316 A CB 0.225 19.294 19.000 0.114 0.000 1.033 316 A HN 0.863 nan 8.150 nan 0.000 0.513 317 Q N 0.697 120.557 119.800 0.100 0.000 2.163 317 Q HA 0.260 4.600 4.340 0.000 0.000 0.198 317 Q C 1.093 177.118 176.000 0.042 0.000 0.954 317 Q CA 1.233 57.076 55.803 0.066 0.000 0.851 317 Q CB -0.728 28.052 28.738 0.070 0.000 0.928 317 Q HN 0.840 nan 8.270 nan 0.000 0.459 318 G N -0.592 108.262 108.800 0.090 0.000 2.504 318 G HA2 0.136 4.096 3.960 0.000 0.000 0.257 318 G HA3 0.136 4.096 3.960 0.000 0.000 0.257 318 G C -0.203 174.736 174.900 0.066 0.000 1.451 318 G CA -0.070 45.062 45.100 0.054 0.000 1.059 318 G HN 0.442 nan 8.290 nan 0.000 0.550 319 H N -1.092 118.093 119.070 0.193 0.000 2.497 319 H HA 0.093 4.649 4.556 0.000 0.000 0.282 319 H C 0.771 176.238 175.328 0.232 0.000 1.003 319 H CA -0.118 56.053 56.048 0.205 0.000 1.307 319 H CB 0.412 30.320 29.762 0.243 0.000 1.437 319 H HN 0.240 nan 8.280 nan 0.000 0.544 320 N N 1.418 120.362 118.700 0.407 0.000 2.430 320 N HA -0.077 4.663 4.740 0.000 0.000 0.265 320 N C -0.720 174.905 175.510 0.190 0.000 1.100 320 N CA 0.109 53.373 53.050 0.357 0.000 0.961 320 N CB 0.489 39.273 38.487 0.496 0.000 1.075 320 N HN 0.235 nan 8.380 nan 0.000 0.478 321 N N 2.894 121.606 118.700 0.020 0.000 3.131 321 N HA 0.150 4.890 4.740 0.000 0.000 0.312 321 N C 0.478 175.777 175.510 -0.351 0.000 1.433 321 N CA 0.346 53.330 53.050 -0.111 0.000 1.141 321 N CB -0.508 37.939 38.487 -0.067 0.000 1.431 321 N HN 0.859 nan 8.380 nan 0.000 0.523 322 G N -0.061 108.247 108.800 -0.821 0.000 2.143 322 G HA2 -0.258 3.702 3.960 0.000 0.000 0.249 322 G HA3 -0.258 3.702 3.960 0.000 0.000 0.249 322 G C 0.055 174.598 174.900 -0.594 0.000 0.981 322 G CA 0.176 44.497 45.100 -1.298 0.000 0.665 322 G HN 0.306 nan 8.290 nan 0.000 0.528 323 V N 1.086 120.764 119.914 -0.394 0.000 2.470 323 V HA 0.251 4.371 4.120 0.000 0.000 0.276 323 V C 1.186 177.079 176.094 -0.335 0.000 1.040 323 V CA -0.013 62.037 62.300 -0.416 0.000 1.008 323 V CB 1.042 32.450 31.823 -0.691 0.000 0.990 323 V HN 0.444 nan 8.190 nan 0.000 0.477 324 C N 5.864 125.069 119.300 -0.160 0.000 2.145 324 C HA 0.288 4.748 4.460 0.000 0.000 0.374 324 C C 0.356 175.383 174.990 0.062 0.000 1.035 324 C CA -1.406 57.643 59.018 0.052 0.000 1.431 324 C CB -1.836 25.984 27.740 0.132 0.000 1.789 324 C HN 0.855 nan 8.230 nan 0.000 0.483 325 W N 1.876 123.329 121.300 0.256 0.000 2.193 325 W HA 0.274 4.934 4.660 0.000 0.000 0.338 325 W C 1.202 177.908 176.519 0.311 0.000 1.310 325 W CA 0.365 57.851 57.345 0.235 0.000 1.243 325 W CB -0.089 29.522 29.460 0.251 0.000 1.165 325 W HN 0.802 nan 8.180 nan 0.000 0.566 326 H N 0.346 119.604 119.070 0.314 0.000 3.237 326 H HA -0.254 4.303 4.556 0.000 0.000 0.231 326 H C 0.301 175.713 175.328 0.139 0.000 1.148 326 H CA 1.067 57.219 56.048 0.174 0.000 1.155 326 H CB -1.932 27.928 29.762 0.164 0.000 1.210 326 H HN 0.540 nan 8.280 nan 0.000 0.317 327 N N 0.036 118.870 118.700 0.222 0.000 2.725 327 N HA -0.210 4.530 4.740 0.000 0.000 0.251 327 N C -0.253 175.295 175.510 0.063 0.000 1.031 327 N CA 1.481 54.606 53.050 0.126 0.000 0.720 327 N CB -0.696 37.842 38.487 0.085 0.000 0.930 327 N HN 0.739 nan 8.380 nan 0.000 0.543 328 Q N -0.673 119.194 119.800 0.111 0.000 2.484 328 Q HA 0.791 5.131 4.340 0.000 0.000 0.285 328 Q C -1.151 174.880 176.000 0.052 0.000 1.097 328 Q CA -0.878 54.948 55.803 0.038 0.000 0.802 328 Q CB 2.424 31.250 28.738 0.146 0.000 1.444 328 Q HN 0.234 nan 8.270 nan 0.000 0.429 329 L N 1.025 122.195 121.223 -0.088 0.000 2.565 329 L HA 0.526 4.866 4.340 0.000 0.000 0.261 329 L C -2.121 174.663 176.870 -0.144 0.000 0.932 329 L CA -0.122 54.731 54.840 0.022 0.000 0.878 329 L CB 1.653 43.696 42.059 -0.028 0.000 1.333 329 L HN 0.493 nan 8.230 nan 0.000 0.409 330 F N 4.491 124.389 119.950 -0.087 0.000 2.467 330 F HA 0.672 5.199 4.527 0.000 0.000 0.336 330 F C -0.146 175.634 175.800 -0.033 0.000 1.123 330 F CA -0.814 57.104 58.000 -0.137 0.000 0.964 330 F CB 2.066 40.904 39.000 -0.270 0.000 1.136 330 F HN 0.092 nan 8.300 nan 0.000 0.447 331 V N 2.929 122.959 119.914 0.194 0.000 2.334 331 V HA 0.383 4.503 4.120 0.000 0.000 0.281 331 V C -0.281 175.950 176.094 0.228 0.000 1.016 331 V CA -0.634 61.817 62.300 0.252 0.000 0.832 331 V CB 1.363 33.383 31.823 0.329 0.000 0.999 331 V HN 0.767 nan 8.190 nan 0.000 0.439 332 T N 4.903 119.566 114.554 0.181 0.000 2.749 332 T HA 0.665 5.015 4.350 0.000 0.000 0.287 332 T C -0.232 174.595 174.700 0.212 0.000 0.970 332 T CA -0.344 61.848 62.100 0.153 0.000 0.980 332 T CB 1.492 70.427 68.868 0.111 0.000 0.924 332 T HN 0.346 nan 8.240 nan 0.000 0.456 333 V N 3.471 123.500 119.914 0.192 0.000 2.876 333 V HA 0.721 4.841 4.120 0.000 0.000 0.312 333 V C -0.711 175.498 176.094 0.191 0.000 1.085 333 V CA -0.784 61.656 62.300 0.234 0.000 0.945 333 V CB 2.461 34.420 31.823 0.227 0.000 1.017 333 V HN 0.686 nan 8.190 nan 0.000 0.428 334 V N 2.429 122.479 119.914 0.226 0.000 2.668 334 V HA 0.582 4.702 4.120 0.000 0.000 0.304 334 V C -1.526 174.710 176.094 0.235 0.000 1.071 334 V CA -0.409 61.962 62.300 0.117 0.000 0.894 334 V CB 1.997 33.797 31.823 -0.038 0.000 1.008 334 V HN 1.028 nan 8.190 nan 0.000 0.425 335 D N 2.330 122.840 120.400 0.182 0.000 2.478 335 D HA 0.377 5.017 4.640 0.000 0.000 0.240 335 D C 0.544 176.882 176.300 0.064 0.000 1.364 335 D CA 0.185 54.321 54.000 0.227 0.000 0.987 335 D CB 2.039 43.012 40.800 0.288 0.000 1.328 335 D HN 0.612 nan 8.370 nan 0.000 0.584 336 T N -0.436 114.129 114.554 0.018 0.000 3.105 336 T HA 0.043 4.393 4.350 0.000 0.000 0.253 336 T C 1.420 176.103 174.700 -0.028 0.000 1.047 336 T CA 0.566 62.584 62.100 -0.137 0.000 0.944 336 T CB -0.132 68.633 68.868 -0.171 0.000 1.016 336 T HN 0.322 nan 8.240 nan 0.000 0.544 337 T N -0.131 114.452 114.554 0.047 0.000 3.160 337 T HA 0.204 4.554 4.350 0.000 0.000 0.257 337 T C 0.921 175.648 174.700 0.045 0.000 1.147 337 T CA -0.195 61.942 62.100 0.061 0.000 1.064 337 T CB -0.332 68.585 68.868 0.080 0.000 0.949 337 T HN 0.390 nan 8.240 nan 0.000 0.526 338 R N 1.396 121.913 120.500 0.029 0.000 2.629 338 R HA 0.303 4.643 4.340 0.000 0.000 0.277 338 R C 0.238 176.577 176.300 0.066 0.000 1.637 338 R CA -0.033 56.092 56.100 0.041 0.000 1.663 338 R CB 0.890 31.205 30.300 0.026 0.000 1.228 338 R HN 0.415 nan 8.270 nan 0.000 0.632 339 S N -1.607 114.094 115.700 0.001 0.000 2.663 339 S HA 0.005 4.475 4.470 0.000 0.000 0.243 339 S C 0.663 175.180 174.600 -0.138 0.000 1.009 339 S CA -0.570 57.553 58.200 -0.128 0.000 0.988 339 S CB 0.262 63.372 63.200 -0.150 0.000 0.896 339 S HN 0.316 nan 8.310 nan 0.000 0.502 340 T N 2.017 116.565 114.554 -0.009 0.000 2.902 340 T HA 0.216 4.566 4.350 0.000 0.000 0.301 340 T C -0.298 174.407 174.700 0.007 0.000 1.012 340 T CA -0.314 61.789 62.100 0.005 0.000 1.151 340 T CB -0.190 68.700 68.868 0.038 0.000 0.946 340 T HN 0.456 nan 8.240 nan 0.000 0.542 341 N N 2.646 121.331 118.700 -0.025 0.000 2.444 341 N HA 0.364 5.104 4.740 0.000 0.000 0.262 341 N C -0.222 175.299 175.510 0.018 0.000 0.974 341 N CA -0.776 52.264 53.050 -0.016 0.000 0.933 341 N CB 1.093 39.525 38.487 -0.092 0.000 1.137 341 N HN 0.511 nan 8.380 nan 0.000 0.498 342 L N 1.593 122.843 121.223 0.045 0.000 2.506 342 L HA 0.088 4.428 4.340 0.000 0.000 0.281 342 L C 0.528 177.418 176.870 0.033 0.000 1.228 342 L CA 0.326 55.189 54.840 0.038 0.000 0.850 342 L CB 0.030 42.113 42.059 0.039 0.000 1.110 342 L HN 0.453 nan 8.230 nan 0.000 0.496 343 T N 3.924 118.503 114.554 0.041 0.000 2.770 343 T HA 0.597 4.947 4.350 0.000 0.000 0.283 343 T C -0.265 174.481 174.700 0.076 0.000 0.988 343 T CA -0.391 61.743 62.100 0.057 0.000 0.957 343 T CB 1.066 69.963 68.868 0.048 0.000 0.930 343 T HN 0.174 nan 8.240 nan 0.000 0.443 344 I N 3.026 123.665 120.570 0.115 0.000 2.646 344 I HA 0.660 4.830 4.170 0.000 0.000 0.299 344 I C 0.080 176.329 176.117 0.219 0.000 1.036 344 I CA -1.478 59.899 61.300 0.129 0.000 1.074 344 I CB 1.290 39.341 38.000 0.084 0.000 1.258 344 I HN 0.857 nan 8.210 nan 0.000 0.430 345 C N 2.604 122.028 119.300 0.207 0.000 2.931 345 C HA 0.944 5.405 4.460 0.000 0.000 0.370 345 C C -0.284 174.859 174.990 0.254 0.000 1.071 345 C CA -0.708 58.482 59.018 0.287 0.000 1.266 345 C CB 0.586 28.490 27.740 0.273 0.000 1.691 345 C HN 1.063 nan 8.230 nan 0.000 0.511 346 A N 2.626 125.591 122.820 0.242 0.000 2.354 346 A HA 0.991 5.311 4.320 0.000 0.000 0.321 346 A C 0.115 177.713 177.584 0.023 0.000 1.125 346 A CA 0.027 52.136 52.037 0.119 0.000 0.799 346 A CB 1.309 20.344 19.000 0.058 0.000 1.293 346 A HN 2.076 nan 8.150 nan 0.000 0.452 347 S N -0.167 115.428 115.700 -0.175 0.000 2.646 347 S HA 0.433 4.903 4.470 0.000 0.000 0.276 347 S C 0.663 175.113 174.600 -0.249 0.000 1.222 347 S CA 0.256 58.165 58.200 -0.484 0.000 1.014 347 S CB 1.123 63.897 63.200 -0.710 0.000 0.991 347 S HN 0.604 nan 8.310 nan 0.000 0.533 348 T N 1.030 115.430 114.554 -0.256 0.000 2.896 348 T HA 0.039 4.389 4.350 0.000 0.000 0.263 348 T C 0.506 175.136 174.700 -0.118 0.000 1.050 348 T CA 0.896 62.918 62.100 -0.130 0.000 1.140 348 T CB -0.175 68.633 68.868 -0.100 0.000 0.877 348 T HN 0.561 nan 8.240 nan 0.000 0.457 349 Q N 1.072 120.777 119.800 -0.158 0.000 2.299 349 Q HA 0.338 4.678 4.340 0.000 0.000 0.246 349 Q C 1.279 177.222 176.000 -0.096 0.000 0.935 349 Q CA -0.068 55.669 55.803 -0.109 0.000 0.887 349 Q CB 1.344 30.018 28.738 -0.107 0.000 1.223 349 Q HN 0.127 nan 8.270 nan 0.000 0.439 350 S N 2.063 117.727 115.700 -0.060 0.000 2.348 350 S HA -0.030 4.440 4.470 0.000 0.000 0.219 350 S C -0.815 173.763 174.600 -0.036 0.000 1.033 350 S CA 0.647 58.820 58.200 -0.044 0.000 0.974 350 S CB -0.688 62.494 63.200 -0.029 0.000 0.868 350 S HN 0.488 nan 8.310 nan 0.000 0.459 351 P HA 0.137 nan 4.420 nan 0.000 0.225 351 P C -0.327 176.966 177.300 -0.011 0.000 1.148 351 P CA 0.521 63.612 63.100 -0.015 0.000 0.779 351 P CB -0.033 31.661 31.700 -0.010 0.000 0.780 352 V N -1.007 118.887 119.914 -0.033 0.000 4.700 352 V HA -0.108 4.012 4.120 0.000 0.000 0.388 352 V C -1.976 174.131 176.094 0.020 0.000 0.654 352 V CA -0.951 61.335 62.300 -0.024 0.000 1.587 352 V CB -2.260 29.572 31.823 0.015 0.000 1.932 352 V HN 0.289 nan 8.190 nan 0.000 0.480 353 P HA 0.073 nan 4.420 nan 0.000 0.266 353 P C 1.150 178.508 177.300 0.097 0.000 1.180 353 P CA 0.956 64.084 63.100 0.047 0.000 0.765 353 P CB 0.746 32.466 31.700 0.034 0.000 0.806 354 G N 0.797 109.644 108.800 0.079 0.000 2.985 354 G HA2 -0.003 3.958 3.960 0.000 0.000 0.209 354 G HA3 -0.003 3.958 3.960 0.000 0.000 0.209 354 G C 0.506 175.468 174.900 0.103 0.000 1.165 354 G CA 0.194 45.347 45.100 0.087 0.000 0.776 354 G HN 0.559 nan 8.290 nan 0.000 0.541 355 Q N 0.043 119.912 119.800 0.114 0.000 2.331 355 Q HA 0.466 4.806 4.340 0.000 0.000 0.267 355 Q C -1.366 174.744 176.000 0.183 0.000 1.006 355 Q CA -1.143 54.734 55.803 0.124 0.000 0.818 355 Q CB 1.175 29.960 28.738 0.079 0.000 1.276 355 Q HN 0.223 nan 8.270 nan 0.000 0.450 356 Y N 2.940 123.285 120.300 0.076 0.000 2.425 356 Y HA 0.420 4.970 4.550 0.000 0.000 0.331 356 Y C -0.841 175.112 175.900 0.090 0.000 1.157 356 Y CA 0.364 58.514 58.100 0.083 0.000 1.372 356 Y CB 0.924 39.386 38.460 0.004 0.000 1.253 356 Y HN 0.689 nan 8.280 nan 0.000 0.536 357 D N 4.367 124.383 120.400 -0.640 0.000 2.452 357 D HA 0.301 4.941 4.640 0.000 0.000 0.226 357 D C 0.251 176.242 176.300 -0.515 0.000 1.366 357 D CA 0.174 53.886 54.000 -0.480 0.000 0.986 357 D CB 1.169 41.893 40.800 -0.127 0.000 1.420 357 D HN 0.722 nan 8.370 nan 0.000 0.583 358 A N 2.512 124.958 122.820 -0.624 0.000 1.958 358 A HA -0.229 4.091 4.320 0.000 0.000 0.221 358 A C 2.018 179.579 177.584 -0.039 0.000 1.178 358 A CA 2.752 54.614 52.037 -0.291 0.000 0.642 358 A CB -1.000 17.929 19.000 -0.120 0.000 0.816 358 A HN 0.698 nan 8.150 nan 0.000 0.453 359 T N -1.961 112.570 114.554 -0.037 0.000 2.929 359 T HA -0.086 4.265 4.350 0.000 0.000 0.271 359 T C 1.305 176.029 174.700 0.040 0.000 1.085 359 T CA 1.537 63.640 62.100 0.006 0.000 1.125 359 T CB -0.395 68.465 68.868 -0.014 0.000 0.874 359 T HN 0.586 nan 8.240 nan 0.000 0.494 360 K N 0.510 120.956 120.400 0.077 0.000 2.504 360 K HA 0.293 4.614 4.320 0.000 0.000 0.199 360 K C -0.925 175.602 176.600 -0.123 0.000 1.028 360 K CA -0.131 56.150 56.287 -0.011 0.000 1.164 360 K CB -0.028 32.427 32.500 -0.075 0.000 0.877 360 K HN 0.366 nan 8.250 nan 0.000 0.508 361 F N 0.784 120.713 119.950 -0.034 0.000 2.561 361 F HA 0.340 4.867 4.527 0.000 0.000 0.313 361 F C -0.118 175.690 175.800 0.012 0.000 1.126 361 F CA -1.074 56.933 58.000 0.011 0.000 0.918 361 F CB 1.673 40.690 39.000 0.028 0.000 1.199 361 F HN -0.351 nan 8.300 nan 0.000 0.444 362 K N 2.118 122.638 120.400 0.200 0.000 2.213 362 K HA 0.431 4.752 4.320 0.000 0.000 0.270 362 K C -0.804 175.850 176.600 0.091 0.000 1.002 362 K CA -0.939 55.397 56.287 0.083 0.000 0.868 362 K CB 1.574 34.137 32.500 0.106 0.000 1.093 362 K HN 0.489 nan 8.250 nan 0.000 0.454 363 Q N 2.357 122.108 119.800 -0.082 0.000 2.314 363 Q HA 0.299 4.639 4.340 0.000 0.000 0.259 363 Q C -1.560 174.326 176.000 -0.190 0.000 0.951 363 Q CA -0.122 55.669 55.803 -0.019 0.000 0.909 363 Q CB 0.704 29.441 28.738 -0.002 0.000 1.236 363 Q HN 0.359 nan 8.270 nan 0.000 0.444 364 Y N -0.052 120.275 120.300 0.046 0.000 2.587 364 Y HA 0.680 5.231 4.550 0.000 0.000 0.337 364 Y C -0.057 175.839 175.900 -0.006 0.000 1.065 364 Y CA -0.938 57.174 58.100 0.021 0.000 1.126 364 Y CB 2.410 40.880 38.460 0.016 0.000 1.279 364 Y HN 0.440 nan 8.280 nan 0.000 0.489 365 S N 2.006 117.775 115.700 0.115 0.000 2.594 365 S HA 0.701 5.171 4.470 0.000 0.000 0.296 365 S C -1.339 173.225 174.600 -0.060 0.000 1.124 365 S CA -0.742 57.449 58.200 -0.016 0.000 1.011 365 S CB 0.326 63.449 63.200 -0.129 0.000 1.016 365 S HN 0.530 nan 8.310 nan 0.000 0.485 366 R N 2.850 123.332 120.500 -0.030 0.000 2.673 366 R HA 0.408 4.749 4.340 0.000 0.000 0.281 366 R C -1.139 175.190 176.300 0.048 0.000 0.991 366 R CA -0.628 55.462 56.100 -0.016 0.000 0.896 366 R CB 1.429 31.729 30.300 -0.001 0.000 1.201 366 R HN 0.865 nan 8.270 nan 0.000 0.457 367 H N 1.146 120.170 119.070 -0.076 0.000 2.572 367 H HA 0.577 5.133 4.556 0.000 0.000 0.359 367 H C -0.954 174.369 175.328 -0.008 0.000 1.134 367 H CA -0.836 55.186 56.048 -0.043 0.000 1.187 367 H CB 1.922 31.654 29.762 -0.050 0.000 1.597 367 H HN 0.180 nan 8.280 nan 0.000 0.524 368 V N 3.303 123.018 119.914 -0.332 0.000 2.769 368 V HA 0.261 4.381 4.120 0.000 0.000 0.312 368 V C -0.467 175.347 176.094 -0.467 0.000 1.058 368 V CA -0.676 61.451 62.300 -0.289 0.000 0.952 368 V CB 1.799 33.563 31.823 -0.098 0.000 1.019 368 V HN 0.748 nan 8.190 nan 0.000 0.445 369 E N 1.695 121.790 120.200 -0.175 0.000 2.281 369 E HA 0.390 4.740 4.350 0.000 0.000 0.266 369 E C -1.143 175.529 176.600 0.119 0.000 0.893 369 E CA -0.305 56.078 56.400 -0.027 0.000 0.798 369 E CB 1.597 31.377 29.700 0.133 0.000 1.245 369 E HN 0.749 nan 8.360 nan 0.000 0.410 370 E N 4.012 124.208 120.200 -0.005 0.000 2.155 370 E HA 0.369 4.719 4.350 0.000 0.000 0.264 370 E C -1.221 175.287 176.600 -0.153 0.000 0.886 370 E CA -0.524 55.876 56.400 -0.001 0.000 0.752 370 E CB 0.704 30.372 29.700 -0.054 0.000 1.133 370 E HN 0.412 nan 8.360 nan 0.000 0.414 371 Y N 1.600 121.830 120.300 -0.116 0.000 2.686 371 Y HA 0.479 5.030 4.550 0.000 0.000 0.330 371 Y C -0.304 175.445 175.900 -0.251 0.000 1.082 371 Y CA -0.836 57.130 58.100 -0.224 0.000 1.158 371 Y CB 1.835 40.095 38.460 -0.334 0.000 1.333 371 Y HN 0.439 nan 8.280 nan 0.000 0.519 372 D N 1.069 121.390 120.400 -0.131 0.000 2.400 372 D HA 0.203 4.844 4.640 0.000 0.000 0.197 372 D C -2.059 174.076 176.300 -0.275 0.000 1.295 372 D CA -0.151 53.737 54.000 -0.187 0.000 0.878 372 D CB 0.737 41.458 40.800 -0.131 0.000 1.659 372 D HN 0.532 nan 8.370 nan 0.000 0.546 373 L N 2.290 123.299 121.223 -0.356 0.000 2.322 373 L HA 0.538 4.878 4.340 0.000 0.000 0.279 373 L C 0.209 176.764 176.870 -0.524 0.000 1.036 373 L CA -0.622 53.921 54.840 -0.495 0.000 0.807 373 L CB 1.718 43.506 42.059 -0.453 0.000 1.226 373 L HN 0.274 nan 8.230 nan 0.000 0.433 374 Q N 2.703 122.002 119.800 -0.835 0.000 2.305 374 Q HA 0.626 4.966 4.340 0.000 0.000 0.271 374 Q C -1.629 173.716 176.000 -1.091 0.000 1.046 374 Q CA -0.495 54.874 55.803 -0.722 0.000 0.798 374 Q CB 2.806 31.303 28.738 -0.402 0.000 1.286 374 Q HN 0.361 nan 8.270 nan 0.000 0.435 375 F N 1.073 120.623 119.950 -0.666 0.000 2.640 375 F HA 0.617 5.144 4.527 0.000 0.000 0.324 375 F C -0.394 174.875 175.800 -0.886 0.000 1.077 375 F CA -1.133 56.392 58.000 -0.792 0.000 0.965 375 F CB 1.429 39.788 39.000 -1.069 0.000 1.351 375 F HN 0.277 nan 8.300 nan 0.000 0.487 376 I N 2.301 122.493 120.570 -0.630 0.000 2.476 376 I HA 0.298 4.468 4.170 0.000 0.000 0.281 376 I C -1.083 174.724 176.117 -0.517 0.000 1.040 376 I CA -0.797 60.185 61.300 -0.530 0.000 1.094 376 I CB 0.890 38.571 38.000 -0.531 0.000 1.219 376 I HN 0.407 nan 8.210 nan 0.000 0.450 377 F N 3.934 123.764 119.950 -0.199 0.000 2.440 377 F HA 0.526 5.053 4.527 0.000 0.000 0.328 377 F C 0.669 176.554 175.800 0.142 0.000 1.070 377 F CA -0.528 57.414 58.000 -0.096 0.000 1.011 377 F CB 1.471 40.255 39.000 -0.360 0.000 1.226 377 F HN 0.378 nan 8.300 nan 0.000 0.491 378 Q N 2.175 122.224 119.800 0.414 0.000 2.353 378 Q HA 0.493 4.833 4.340 0.000 0.000 0.268 378 Q C -1.681 174.506 176.000 0.312 0.000 1.045 378 Q CA -1.158 54.769 55.803 0.205 0.000 0.811 378 Q CB 2.121 30.884 28.738 0.042 0.000 1.305 378 Q HN 0.684 nan 8.270 nan 0.000 0.447 379 L N 3.607 124.945 121.223 0.192 0.000 2.331 379 L HA 0.401 4.741 4.340 0.000 0.000 0.278 379 L C -1.378 175.402 176.870 -0.149 0.000 1.106 379 L CA 0.256 55.085 54.840 -0.019 0.000 0.824 379 L CB 0.715 42.736 42.059 -0.062 0.000 1.142 379 L HN 0.809 nan 8.230 nan 0.000 0.443 380 C N 2.246 121.408 119.300 -0.230 0.000 2.707 380 C HA 0.835 5.295 4.460 0.000 0.000 0.313 380 C C 0.076 174.925 174.990 -0.235 0.000 1.209 380 C CA -0.602 58.302 59.018 -0.190 0.000 1.635 380 C CB 1.827 29.477 27.740 -0.149 0.000 2.206 380 C HN 0.882 nan 8.230 nan 0.000 0.485 381 T N -0.590 113.870 114.554 -0.157 0.000 2.856 381 T HA 0.790 5.141 4.350 0.000 0.000 0.283 381 T C -1.023 173.650 174.700 -0.045 0.000 1.008 381 T CA -0.427 61.591 62.100 -0.137 0.000 0.997 381 T CB 0.947 69.768 68.868 -0.079 0.000 0.992 381 T HN 0.324 nan 8.240 nan 0.000 0.454 382 I N 2.645 123.195 120.570 -0.032 0.000 2.390 382 I HA 0.269 4.439 4.170 0.000 0.000 0.283 382 I C 0.454 176.600 176.117 0.048 0.000 1.016 382 I CA -0.243 61.107 61.300 0.084 0.000 1.151 382 I CB 1.698 39.823 38.000 0.208 0.000 1.293 382 I HN 0.742 nan 8.210 nan 0.000 0.458 383 T N 7.360 121.955 114.554 0.069 0.000 2.751 383 T HA 0.280 4.631 4.350 0.000 0.000 0.290 383 T C 0.451 175.185 174.700 0.057 0.000 0.919 383 T CA -0.174 61.953 62.100 0.044 0.000 1.136 383 T CB -0.174 68.718 68.868 0.040 0.000 0.875 383 T HN 0.258 nan 8.240 nan 0.000 0.532 384 L N 5.374 126.620 121.223 0.039 0.000 2.433 384 L HA 0.240 4.581 4.340 0.000 0.000 0.284 384 L C 1.374 178.269 176.870 0.042 0.000 1.120 384 L CA -0.398 54.479 54.840 0.061 0.000 0.879 384 L CB -0.326 41.771 42.059 0.063 0.000 1.232 384 L HN 0.736 nan 8.230 nan 0.000 0.454 385 T N -0.509 114.070 114.554 0.042 0.000 2.919 385 T HA 0.642 4.992 4.350 0.000 0.000 0.282 385 T C 1.114 175.829 174.700 0.025 0.000 1.020 385 T CA -0.122 61.994 62.100 0.026 0.000 0.994 385 T CB 1.780 70.660 68.868 0.021 0.000 1.180 385 T HN 0.395 nan 8.240 nan 0.000 0.566 386 A N 1.672 124.503 122.820 0.018 0.000 1.862 386 A HA -0.195 4.125 4.320 0.000 0.000 0.214 386 A C 1.904 179.499 177.584 0.017 0.000 1.228 386 A CA 2.649 54.696 52.037 0.016 0.000 0.665 386 A CB -1.828 17.179 19.000 0.012 0.000 0.845 386 A HN 1.046 nan 8.150 nan 0.000 0.459 387 D N -0.244 120.165 120.400 0.014 0.000 2.133 387 D HA -0.151 4.489 4.640 0.000 0.000 0.195 387 D C 1.536 177.846 176.300 0.017 0.000 0.997 387 D CA 1.585 55.595 54.000 0.017 0.000 0.840 387 D CB -1.076 39.730 40.800 0.009 0.000 0.947 387 D HN 0.199 nan 8.370 nan 0.000 0.452 388 V N 0.233 120.143 119.914 -0.006 0.000 2.324 388 V HA -0.310 3.810 4.120 0.000 0.000 0.250 388 V C 2.630 178.735 176.094 0.017 0.000 1.060 388 V CA 2.090 64.369 62.300 -0.036 0.000 1.042 388 V CB -0.560 31.263 31.823 -0.001 0.000 0.650 388 V HN 0.240 nan 8.190 nan 0.000 0.450 389 M N 0.437 120.060 119.600 0.038 0.000 2.132 389 M HA -0.136 4.344 4.480 0.000 0.000 0.263 389 M C 2.424 178.726 176.300 0.004 0.000 1.065 389 M CA 2.041 57.364 55.300 0.039 0.000 1.122 389 M CB -0.358 32.269 32.600 0.045 0.000 1.365 389 M HN 0.586 nan 8.290 nan 0.000 0.411 390 S N -0.598 115.110 115.700 0.013 0.000 2.402 390 S HA -0.193 4.277 4.470 0.000 0.000 0.229 390 S C 1.755 176.350 174.600 -0.008 0.000 1.021 390 S CA 0.935 59.134 58.200 -0.003 0.000 0.974 390 S CB -0.911 62.296 63.200 0.011 0.000 0.800 390 S HN 0.575 nan 8.310 nan 0.000 0.484 391 Y N 2.841 123.073 120.300 -0.112 0.000 2.109 391 Y HA 0.021 4.572 4.550 0.000 0.000 0.285 391 Y C 2.133 177.919 175.900 -0.191 0.000 1.131 391 Y CA 1.416 59.434 58.100 -0.137 0.000 1.121 391 Y CB -0.360 37.978 38.460 -0.203 0.000 0.987 391 Y HN 0.128 nan 8.280 nan 0.000 0.495 392 I N 0.552 121.075 120.570 -0.078 0.000 2.335 392 I HA -0.306 3.864 4.170 0.000 0.000 0.251 392 I C 2.261 178.183 176.117 -0.324 0.000 1.129 392 I CA 1.705 62.842 61.300 -0.272 0.000 1.402 392 I CB -1.010 36.869 38.000 -0.203 0.000 1.069 392 I HN 0.372 nan 8.210 nan 0.000 0.424 393 Q N 1.606 121.281 119.800 -0.209 0.000 2.030 393 Q HA -0.172 4.168 4.340 0.000 0.000 0.204 393 Q C 2.365 178.236 176.000 -0.216 0.000 0.986 393 Q CA 2.652 58.346 55.803 -0.182 0.000 0.843 393 Q CB -0.192 28.482 28.738 -0.108 0.000 0.904 393 Q HN 0.434 nan 8.270 nan 0.000 0.420 394 S N -0.054 115.507 115.700 -0.231 0.000 2.368 394 S HA -0.159 4.311 4.470 0.000 0.000 0.224 394 S C 1.817 176.254 174.600 -0.272 0.000 1.029 394 S CA 1.355 59.431 58.200 -0.208 0.000 0.988 394 S CB -0.414 62.675 63.200 -0.184 0.000 0.838 394 S HN 0.541 nan 8.310 nan 0.000 0.462 395 M N 1.275 120.573 119.600 -0.504 0.000 2.059 395 M HA -0.069 4.411 4.480 0.000 0.000 0.259 395 M C 0.416 176.346 176.300 -0.617 0.000 1.072 395 M CA 1.608 56.405 55.300 -0.839 0.000 1.117 395 M CB 0.044 31.985 32.600 -1.098 0.000 1.320 395 M HN 0.282 nan 8.290 nan 0.000 0.408 396 N N -0.267 118.134 118.700 -0.499 0.000 2.932 396 N HA 0.052 4.792 4.740 0.000 0.000 0.242 396 N C 0.415 175.742 175.510 -0.305 0.000 1.351 396 N CA 0.326 53.162 53.050 -0.357 0.000 0.785 396 N CB 0.802 39.073 38.487 -0.360 0.000 1.501 396 N HN 0.343 nan 8.380 nan 0.000 0.584 397 S N 0.958 116.520 115.700 -0.230 0.000 2.381 397 S HA -0.298 4.172 4.470 0.000 0.000 0.230 397 S C 1.961 176.439 174.600 -0.204 0.000 1.052 397 S CA 2.059 60.141 58.200 -0.197 0.000 1.068 397 S CB -0.710 62.407 63.200 -0.138 0.000 0.918 397 S HN 0.650 nan 8.310 nan 0.000 0.448 398 S N 2.162 117.772 115.700 -0.151 0.000 2.462 398 S HA -0.057 4.413 4.470 0.000 0.000 0.243 398 S C 1.716 176.161 174.600 -0.257 0.000 1.003 398 S CA 1.300 59.440 58.200 -0.100 0.000 0.970 398 S CB -1.013 62.215 63.200 0.048 0.000 0.762 398 S HN 0.655 nan 8.310 nan 0.000 0.510 399 I N 1.030 121.338 120.570 -0.436 0.000 2.202 399 I HA -0.118 4.053 4.170 0.000 0.000 0.242 399 I C 2.440 177.955 176.117 -1.003 0.000 1.091 399 I CA 1.152 61.932 61.300 -0.866 0.000 1.368 399 I CB -0.398 37.057 38.000 -0.907 0.000 1.058 399 I HN 0.281 nan 8.210 nan 0.000 0.410 400 L N 0.373 121.216 121.223 -0.634 0.000 2.046 400 L HA -0.205 4.135 4.340 0.000 0.000 0.208 400 L C 2.519 179.273 176.870 -0.194 0.000 1.077 400 L CA 1.383 56.012 54.840 -0.352 0.000 0.747 400 L CB -0.566 41.398 42.059 -0.160 0.000 0.896 400 L HN 0.256 nan 8.230 nan 0.000 0.432 401 E N 0.250 120.333 120.200 -0.195 0.000 2.033 401 E HA -0.271 4.079 4.350 0.000 0.000 0.199 401 E C 1.771 178.326 176.600 -0.075 0.000 1.011 401 E CA 1.800 58.139 56.400 -0.102 0.000 0.815 401 E CB -0.090 29.555 29.700 -0.092 0.000 0.755 401 E HN 0.464 nan 8.360 nan 0.000 0.451 402 D N -0.322 119.985 120.400 -0.156 0.000 2.190 402 D HA -0.184 4.456 4.640 0.000 0.000 0.200 402 D C 1.373 177.730 176.300 0.095 0.000 0.992 402 D CA 0.791 54.746 54.000 -0.075 0.000 0.854 402 D CB -0.296 40.399 40.800 -0.174 0.000 0.936 402 D HN 0.381 nan 8.370 nan 0.000 0.462 403 W N 1.300 122.570 121.300 -0.051 0.000 3.077 403 W HA 0.103 4.764 4.660 0.000 0.000 0.245 403 W C 0.597 177.105 176.519 -0.019 0.000 1.316 403 W CA -0.274 57.053 57.345 -0.030 0.000 1.537 403 W CB -1.137 28.310 29.460 -0.021 0.000 1.131 403 W HN -0.079 nan 8.180 nan 0.000 0.695 439 K N 0.624 121.018 120.400 -0.010 0.000 2.207 439 K HA 0.427 4.747 4.320 0.000 0.000 0.255 439 K C -1.325 175.251 176.600 -0.040 0.000 0.941 439 K CA -0.550 55.725 56.287 -0.019 0.000 0.825 439 K CB 1.278 33.761 32.500 -0.029 0.000 1.119 439 K HN 0.555 nan 8.250 nan 0.000 0.430 440 D N 2.876 123.254 120.400 -0.037 0.000 2.193 440 D HA 0.273 4.913 4.640 0.000 0.000 0.244 440 D C -1.572 174.635 176.300 -0.155 0.000 1.064 440 D CA -2.121 51.830 54.000 -0.083 0.000 0.845 440 D CB 1.228 42.036 40.800 0.013 0.000 1.148 440 D HN 0.225 nan 8.370 nan 0.000 0.464 441 P HA -0.115 nan 4.420 nan 0.000 0.236 441 P C -0.008 177.109 177.300 -0.306 0.000 1.172 441 P CA 0.979 63.838 63.100 -0.402 0.000 0.759 441 P CB -0.099 31.247 31.700 -0.590 0.000 0.843 442 Y N -1.161 119.187 120.300 0.080 0.000 2.500 442 Y HA 0.177 4.728 4.550 0.000 0.000 0.246 442 Y C 1.563 177.532 175.900 0.115 0.000 1.146 442 Y CA -0.640 57.553 58.100 0.155 0.000 1.230 442 Y CB -0.031 38.651 38.460 0.370 0.000 1.214 442 Y HN -0.144 nan 8.280 nan 0.000 0.526 443 D N 0.820 121.319 120.400 0.166 0.000 2.403 443 D HA -0.102 4.538 4.640 0.000 0.000 0.227 443 D C 1.580 177.903 176.300 0.038 0.000 0.995 443 D CA 0.885 54.945 54.000 0.100 0.000 0.928 443 D CB 0.168 41.003 40.800 0.058 0.000 0.887 443 D HN 0.271 nan 8.370 nan 0.000 0.529 444 K N -0.247 120.169 120.400 0.027 0.000 2.284 444 K HA 0.141 4.461 4.320 0.000 0.000 0.198 444 K C 0.930 177.480 176.600 -0.082 0.000 1.048 444 K CA 0.089 56.365 56.287 -0.019 0.000 0.987 444 K CB 0.623 33.119 32.500 -0.008 0.000 0.800 444 K HN 0.196 nan 8.250 nan 0.000 0.486 445 L N 1.899 123.036 121.223 -0.143 0.000 2.379 445 L HA 0.223 4.563 4.340 0.000 0.000 0.269 445 L C 0.380 176.891 176.870 -0.598 0.000 1.084 445 L CA -0.771 53.839 54.840 -0.384 0.000 0.802 445 L CB 0.592 42.347 42.059 -0.507 0.000 1.175 445 L HN -0.273 nan 8.230 nan 0.000 0.448 446 K N 2.726 122.786 120.400 -0.568 0.000 2.276 446 K HA 0.518 4.838 4.320 0.000 0.000 0.285 446 K C -0.910 175.389 176.600 -0.501 0.000 1.062 446 K CA 0.214 56.255 56.287 -0.409 0.000 0.918 446 K CB 0.803 33.180 32.500 -0.205 0.000 1.055 446 K HN 0.345 nan 8.250 nan 0.000 0.477 447 F N 0.235 120.207 119.950 0.036 0.000 2.675 447 F HA 0.334 4.861 4.527 0.000 0.000 0.324 447 F C -0.236 175.625 175.800 0.101 0.000 1.106 447 F CA -1.236 56.800 58.000 0.061 0.000 0.970 447 F CB 1.632 40.677 39.000 0.074 0.000 1.385 447 F HN 0.381 nan 8.300 nan 0.000 0.489 448 W N 4.073 125.458 121.300 0.141 0.000 2.298 448 W HA 0.328 4.988 4.660 0.000 0.000 0.327 448 W C -0.986 175.615 176.519 0.136 0.000 0.988 448 W CA -1.196 56.197 57.345 0.080 0.000 1.448 448 W CB 0.264 29.708 29.460 -0.027 0.000 1.243 448 W HN 0.391 nan 8.180 nan 0.000 0.388 449 N N 4.014 122.986 118.700 0.453 0.000 2.452 449 N HA 0.072 4.813 4.740 0.000 0.000 0.266 449 N C -0.774 174.921 175.510 0.308 0.000 1.209 449 N CA 0.260 53.481 53.050 0.284 0.000 0.929 449 N CB 1.804 40.400 38.487 0.182 0.000 1.063 449 N HN 0.054 nan 8.380 nan 0.000 0.472 450 V N 2.436 122.446 119.914 0.160 0.000 2.349 450 V HA 0.088 4.208 4.120 0.000 0.000 0.284 450 V C 0.082 176.195 176.094 0.031 0.000 1.014 450 V CA -0.897 61.459 62.300 0.092 0.000 0.826 450 V CB 1.576 33.394 31.823 -0.009 0.000 1.009 450 V HN 0.536 nan 8.190 nan 0.000 0.431 451 D N 4.682 125.111 120.400 0.049 0.000 2.295 451 D HA 0.331 4.971 4.640 0.000 0.000 0.248 451 D C 0.322 176.636 176.300 0.022 0.000 1.154 451 D CA -0.114 53.898 54.000 0.022 0.000 0.857 451 D CB 1.753 42.575 40.800 0.036 0.000 1.117 451 D HN 0.477 nan 8.370 nan 0.000 0.468 452 L N 3.686 124.912 121.223 0.005 0.000 2.959 452 L HA 0.165 4.506 4.340 0.000 0.000 0.259 452 L C 1.960 178.871 176.870 0.068 0.000 1.185 452 L CA -0.256 54.619 54.840 0.058 0.000 0.998 452 L CB 0.330 42.434 42.059 0.075 0.000 1.337 452 L HN 0.199 nan 8.230 nan 0.000 0.555 453 K N 0.695 121.078 120.400 -0.029 0.000 2.211 453 K HA -0.124 4.196 4.320 0.000 0.000 0.204 453 K C 0.845 177.435 176.600 -0.018 0.000 1.047 453 K CA 1.003 57.225 56.287 -0.109 0.000 0.935 453 K CB 0.163 32.616 32.500 -0.078 0.000 0.728 453 K HN 0.235 nan 8.250 nan 0.000 0.452 454 E N 0.175 120.414 120.200 0.065 0.000 2.499 454 E HA 0.055 4.405 4.350 0.000 0.000 0.199 454 E C 0.401 177.096 176.600 0.159 0.000 1.016 454 E CA 0.178 56.647 56.400 0.115 0.000 0.933 454 E CB 0.711 30.468 29.700 0.096 0.000 1.050 454 E HN 0.190 nan 8.360 nan 0.000 0.462 455 K N -0.015 120.505 120.400 0.201 0.000 2.438 455 K HA 0.192 4.513 4.320 0.000 0.000 0.206 455 K C 0.231 176.962 176.600 0.220 0.000 1.081 455 K CA -0.304 56.096 56.287 0.188 0.000 1.053 455 K CB 0.624 33.193 32.500 0.114 0.000 0.908 455 K HN -0.049 nan 8.250 nan 0.000 0.556 456 F N 1.942 121.904 119.950 0.021 0.000 2.518 456 F HA 0.140 4.667 4.527 0.000 0.000 0.359 456 F C 0.976 176.931 175.800 0.259 0.000 1.118 456 F CA 0.076 58.136 58.000 0.100 0.000 1.287 456 F CB 0.944 39.933 39.000 -0.018 0.000 1.132 456 F HN -0.234 nan 8.300 nan 0.000 0.587 457 S N 3.108 119.011 115.700 0.338 0.000 2.540 457 S HA 0.492 4.962 4.470 0.000 0.000 0.275 457 S C 0.285 174.907 174.600 0.036 0.000 1.123 457 S CA -0.712 57.612 58.200 0.207 0.000 0.907 457 S CB 1.026 64.281 63.200 0.092 0.000 1.081 457 S HN 0.656 nan 8.310 nan 0.000 0.476 458 L N 1.665 122.840 121.223 -0.080 0.000 2.307 458 L HA 0.160 4.500 4.340 0.000 0.000 0.211 458 L C -0.054 176.773 176.870 -0.071 0.000 1.099 458 L CA 0.568 55.242 54.840 -0.277 0.000 0.816 458 L CB -0.084 41.813 42.059 -0.270 0.000 0.952 458 L HN 0.684 nan 8.230 nan 0.000 0.455 459 D N 0.192 120.613 120.400 0.035 0.000 2.441 459 D HA 0.113 4.753 4.640 0.000 0.000 0.221 459 D C 1.155 177.538 176.300 0.137 0.000 1.156 459 D CA -0.176 53.870 54.000 0.076 0.000 0.896 459 D CB 0.473 41.315 40.800 0.070 0.000 1.028 459 D HN 0.052 nan 8.370 nan 0.000 0.509 460 L N 0.614 121.908 121.223 0.118 0.000 2.046 460 L HA -0.150 4.190 4.340 0.000 0.000 0.208 460 L C 1.893 178.851 176.870 0.146 0.000 1.077 460 L CA 1.110 56.039 54.840 0.149 0.000 0.747 460 L CB -0.422 41.731 42.059 0.157 0.000 0.896 460 L HN 0.333 nan 8.230 nan 0.000 0.432 461 D N 0.114 120.568 120.400 0.090 0.000 2.220 461 D HA -0.224 4.416 4.640 0.000 0.000 0.198 461 D C 2.167 178.460 176.300 -0.011 0.000 1.001 461 D CA 1.229 55.253 54.000 0.039 0.000 0.875 461 D CB 0.072 40.883 40.800 0.018 0.000 0.921 461 D HN 0.275 nan 8.370 nan 0.000 0.454 462 Q N -1.096 118.679 119.800 -0.042 0.000 2.435 462 Q HA -0.040 4.300 4.340 0.000 0.000 0.207 462 Q C -0.163 175.511 176.000 -0.543 0.000 0.956 462 Q CA 0.511 56.144 55.803 -0.283 0.000 0.917 462 Q CB 0.179 28.686 28.738 -0.385 0.000 0.997 462 Q HN 0.452 nan 8.270 nan 0.000 0.497 463 Y N -0.084 120.102 120.300 -0.190 0.000 2.485 463 Y HA 0.218 4.768 4.550 0.000 0.000 0.345 463 Y C -1.463 174.381 175.900 -0.094 0.000 0.998 463 Y CA -2.646 55.305 58.100 -0.248 0.000 1.059 463 Y CB 1.047 39.065 38.460 -0.738 0.000 1.234 463 Y HN -0.171 nan 8.280 nan 0.000 0.461 464 P HA -0.271 nan 4.420 nan 0.000 0.211 464 P C 1.746 179.124 177.300 0.129 0.000 1.181 464 P CA 1.726 64.874 63.100 0.080 0.000 0.929 464 P CB 0.528 32.263 31.700 0.059 0.000 0.789 465 L N -0.638 120.687 121.223 0.170 0.000 2.079 465 L HA -0.131 4.209 4.340 0.000 0.000 0.210 465 L C 2.701 179.744 176.870 0.289 0.000 1.081 465 L CA 2.098 57.051 54.840 0.189 0.000 0.752 465 L CB -1.327 40.796 42.059 0.106 0.000 0.896 465 L HN 0.062 nan 8.230 nan 0.000 0.433 466 G N -0.333 108.645 108.800 0.296 0.000 2.476 466 G HA2 -0.308 3.652 3.960 0.000 0.000 0.218 466 G HA3 -0.308 3.652 3.960 0.000 0.000 0.218 466 G C 1.568 176.605 174.900 0.228 0.000 1.164 466 G CA 0.925 46.181 45.100 0.261 0.000 0.768 466 G HN 0.357 nan 8.290 nan 0.000 0.560 467 R N 0.428 121.020 120.500 0.154 0.000 2.070 467 R HA 0.007 4.347 4.340 0.000 0.000 0.232 467 R C 2.680 179.040 176.300 0.100 0.000 1.138 467 R CA 1.510 57.666 56.100 0.093 0.000 0.936 467 R CB -0.379 29.953 30.300 0.053 0.000 0.839 467 R HN 0.260 nan 8.270 nan 0.000 0.429 468 K N -0.058 120.435 120.400 0.155 0.000 2.144 468 K HA -0.243 4.078 4.320 0.000 0.000 0.209 468 K C 1.944 178.646 176.600 0.170 0.000 1.047 468 K CA 1.824 58.235 56.287 0.206 0.000 0.927 468 K CB -0.360 32.329 32.500 0.315 0.000 0.716 468 K HN 0.098 nan 8.250 nan 0.000 0.454 469 F N 1.668 121.651 119.950 0.054 0.000 2.075 469 F HA -0.164 4.363 4.527 0.000 0.000 0.297 469 F C 1.843 177.426 175.800 -0.362 0.000 1.113 469 F CA 1.337 59.148 58.000 -0.314 0.000 1.218 469 F CB -0.399 38.507 39.000 -0.157 0.000 0.984 469 F HN -0.119 nan 8.300 nan 0.000 0.472 470 L N -0.532 120.548 121.223 -0.239 0.000 2.081 470 L HA -0.269 4.071 4.340 0.000 0.000 0.212 470 L C 2.339 179.006 176.870 -0.337 0.000 1.080 470 L CA 1.185 55.839 54.840 -0.311 0.000 0.754 470 L CB -0.967 41.042 42.059 -0.083 0.000 0.893 470 L HN 0.075 nan 8.230 nan 0.000 0.433 471 V N -0.490 119.281 119.914 -0.237 0.000 2.223 471 V HA -0.327 3.794 4.120 0.000 0.000 0.244 471 V C 2.506 178.429 176.094 -0.285 0.000 1.045 471 V CA 2.092 64.277 62.300 -0.192 0.000 1.000 471 V CB -0.749 31.016 31.823 -0.098 0.000 0.635 471 V HN 0.564 nan 8.190 nan 0.000 0.445 472 Q N 0.499 120.073 119.800 -0.377 0.000 2.173 472 Q HA -0.274 4.066 4.340 0.000 0.000 0.208 472 Q C 2.079 177.750 176.000 -0.547 0.000 0.989 472 Q CA 2.541 58.056 55.803 -0.480 0.000 0.872 472 Q CB -0.330 27.936 28.738 -0.786 0.000 0.909 472 Q HN 0.629 nan 8.270 nan 0.000 0.420 473 A N -0.096 122.302 122.820 -0.703 0.000 2.066 473 A HA 0.305 4.625 4.320 0.000 0.000 0.218 473 A C 1.109 178.480 177.584 -0.354 0.000 1.157 473 A CA 1.463 53.138 52.037 -0.604 0.000 0.670 473 A CB -0.489 18.023 19.000 -0.812 0.000 0.804 473 A HN 0.701 nan 8.150 nan 0.000 0.453 474 G N 0.000 108.618 108.800 -0.303 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 44.985 45.100 -0.191 0.000 0.502 474 G HN 0.000 nan 8.290 nan 0.000 0.925