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 1ay0_1_B DATA FIRST_RESID 3 DATA SEQUENCE QFTDIDKLAV STIRILAVDT VSKANSGHPG APLGMAPAAH VLWSQMRMNP DATA SEQUENCE TNPDWINRDR FVLSNGHAVA LLYSMLHLTG YDLSIEDLKQ FRQLGSRTPG DATA SEQUENCE HPEFELPGVE VTTGPLGQGI SNAVGMAMAQ ANLAATYNKP GFTLSDNYTY DATA SEQUENCE VFLGDGCLQE GISSEASSLA GHLKLGNLIA IYDDNKITID GATSISFDED DATA SEQUENCE VAKRYEAYGW EVLYVENGNE DLAGIAKAIA QAKLSKDKPT LIKMTTTIGY DATA SEQUENCE GSLHAGSHSV AGAPLKADDV KQLKSKFGFN PDKSFVVPQE VYDHYQKTIL DATA SEQUENCE KPGVEANNKW NKLFSEYQKK FPELGAELAR RLSGQLPANW ESKLPTYTAK DATA SEQUENCE DSAVATRKLS ETVLEDVYNQ LPELIGGSAD LTPSNLTRWK EALDFQPPSS DATA SEQUENCE GSGNYSGRYI RYGIREHAMG AIMNGISAFG ANYKPYGGTF LNFVSYAAGA DATA SEQUENCE VRLSALSGHP VIWVATHDSI GVGEDGPTHQ PIETLAHFRS LPNIQVWRPA DATA SEQUENCE DGNEVSAAYK NSLESKHTPS IIALSRQNLP QLEGSSIESA SKGGYVLQDV DATA SEQUENCE ANPDIILVAT GSEVSLSVEA AKTLAAKNIK ARVVSLPDFF TFDKQPLEYR DATA SEQUENCE LSVLPDNVPI MSVEVLATTC WGKYAHQSFG IDRFGASGKA PEVFKFFGFT DATA SEQUENCE PEGVAERAQK TIAFYKGDKL ISPLKKAF 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.673 176.000 -0.546 0.000 1.003 3 Q CA 0.000 55.637 55.803 -0.276 0.000 1.022 3 Q CB 0.000 28.664 28.738 -0.123 0.000 1.108 4 F N 0.927 120.893 119.950 0.027 0.000 2.557 4 F HA 0.821 5.348 4.527 0.001 0.000 0.336 4 F C 1.090 176.890 175.800 -0.001 0.000 1.058 4 F CA -0.098 57.921 58.000 0.031 0.000 0.988 4 F CB 2.064 41.088 39.000 0.041 0.000 1.275 4 F HN 0.769 nan 8.300 nan 0.000 0.488 5 T N -3.792 110.842 114.554 0.133 0.000 2.626 5 T HA 0.283 4.633 4.350 0.001 0.000 0.279 5 T C 0.264 174.964 174.700 -0.000 0.000 0.983 5 T CA -0.649 61.474 62.100 0.038 0.000 1.059 5 T CB 1.024 69.889 68.868 -0.005 0.000 1.396 5 T HN 0.341 nan 8.240 nan 0.000 0.519 6 D N -0.079 120.304 120.400 -0.029 0.000 2.158 6 D HA -0.073 4.567 4.640 0.001 0.000 0.197 6 D C 1.779 178.017 176.300 -0.102 0.000 0.995 6 D CA 0.957 54.926 54.000 -0.052 0.000 0.846 6 D CB -0.292 40.482 40.800 -0.043 0.000 0.941 6 D HN 0.432 nan 8.370 nan 0.000 0.456 7 I N 1.206 121.687 120.570 -0.148 0.000 2.315 7 I HA -0.199 3.972 4.170 0.001 0.000 0.248 7 I C 1.407 177.311 176.117 -0.354 0.000 1.117 7 I CA 1.481 62.622 61.300 -0.265 0.000 1.404 7 I CB -0.118 37.667 38.000 -0.359 0.000 1.071 7 I HN -0.116 nan 8.210 nan 0.000 0.419 8 D N 0.489 120.730 120.400 -0.265 0.000 2.144 8 D HA -0.177 4.463 4.640 0.001 0.000 0.200 8 D C 1.994 178.080 176.300 -0.356 0.000 0.978 8 D CA 1.090 54.924 54.000 -0.277 0.000 0.833 8 D CB -0.043 40.846 40.800 0.150 0.000 0.961 8 D HN 0.466 nan 8.370 nan 0.000 0.470 9 K N 0.423 120.699 120.400 -0.206 0.000 2.097 9 K HA -0.094 4.226 4.320 0.001 0.000 0.205 9 K C 2.153 178.638 176.600 -0.193 0.000 1.050 9 K CA 0.320 56.492 56.287 -0.191 0.000 0.938 9 K CB -0.056 32.378 32.500 -0.110 0.000 0.718 9 K HN 0.022 nan 8.250 nan 0.000 0.442 10 L N 1.203 122.328 121.223 -0.164 0.000 2.056 10 L HA -0.065 4.275 4.340 0.001 0.000 0.207 10 L C 2.216 179.009 176.870 -0.129 0.000 1.078 10 L CA 1.626 56.411 54.840 -0.092 0.000 0.749 10 L CB -0.610 41.397 42.059 -0.087 0.000 0.901 10 L HN 0.098 nan 8.230 nan 0.000 0.433 11 A N -0.862 121.799 122.820 -0.264 0.000 1.883 11 A HA -0.168 4.152 4.320 0.001 0.000 0.217 11 A C 2.270 179.715 177.584 -0.232 0.000 1.186 11 A CA 2.110 53.988 52.037 -0.264 0.000 0.624 11 A CB -1.234 17.499 19.000 -0.445 0.000 0.822 11 A HN 0.300 nan 8.150 nan 0.000 0.444 12 V N -0.011 119.686 119.914 -0.362 0.000 2.392 12 V HA -0.237 3.883 4.120 0.001 0.000 0.249 12 V C 2.712 178.649 176.094 -0.262 0.000 1.059 12 V CA 2.378 64.506 62.300 -0.287 0.000 1.051 12 V CB -0.687 30.948 31.823 -0.314 0.000 0.658 12 V HN 0.564 nan 8.190 nan 0.000 0.455 13 S N -0.808 114.735 115.700 -0.263 0.000 2.453 13 S HA -0.126 4.344 4.470 0.001 0.000 0.231 13 S C 1.989 176.429 174.600 -0.267 0.000 1.005 13 S CA 1.468 59.484 58.200 -0.307 0.000 0.949 13 S CB -0.177 62.910 63.200 -0.189 0.000 0.774 13 S HN 0.693 nan 8.310 nan 0.000 0.510 14 T N 2.169 116.664 114.554 -0.098 0.000 2.985 14 T HA 0.192 4.543 4.350 0.001 0.000 0.266 14 T C 1.630 176.278 174.700 -0.087 0.000 1.076 14 T CA 0.595 62.675 62.100 -0.033 0.000 1.135 14 T CB -0.166 68.745 68.868 0.072 0.000 0.890 14 T HN 0.337 nan 8.240 nan 0.000 0.480 15 I N 0.594 121.108 120.570 -0.094 0.000 2.277 15 I HA -0.064 4.106 4.170 0.001 0.000 0.243 15 I C 2.778 178.826 176.117 -0.115 0.000 1.094 15 I CA 0.984 62.230 61.300 -0.090 0.000 1.393 15 I CB -0.276 37.671 38.000 -0.089 0.000 1.078 15 I HN 0.076 nan 8.210 nan 0.000 0.417 16 R N 1.010 121.430 120.500 -0.134 0.000 2.082 16 R HA -0.142 4.198 4.340 0.001 0.000 0.234 16 R C 2.340 178.580 176.300 -0.100 0.000 1.136 16 R CA 1.644 57.690 56.100 -0.091 0.000 0.935 16 R CB -0.466 29.790 30.300 -0.074 0.000 0.842 16 R HN 0.317 nan 8.270 nan 0.000 0.430 17 I N 0.665 121.131 120.570 -0.174 0.000 2.286 17 I HA -0.249 3.922 4.170 0.001 0.000 0.248 17 I C 2.308 178.289 176.117 -0.226 0.000 1.115 17 I CA 0.671 61.837 61.300 -0.223 0.000 1.392 17 I CB -0.240 37.502 38.000 -0.430 0.000 1.065 17 I HN 0.144 nan 8.210 nan 0.000 0.418 18 L N 1.186 122.290 121.223 -0.197 0.000 2.141 18 L HA -0.087 4.253 4.340 0.001 0.000 0.209 18 L C 2.478 179.212 176.870 -0.227 0.000 1.094 18 L CA 1.891 56.604 54.840 -0.211 0.000 0.763 18 L CB -0.722 41.288 42.059 -0.082 0.000 0.908 18 L HN 0.172 nan 8.230 nan 0.000 0.437 19 A N -1.499 121.225 122.820 -0.159 0.000 1.897 19 A HA -0.067 4.254 4.320 0.001 0.000 0.215 19 A C 2.242 179.750 177.584 -0.127 0.000 1.181 19 A CA 1.542 53.496 52.037 -0.137 0.000 0.620 19 A CB -0.897 18.044 19.000 -0.099 0.000 0.821 19 A HN 0.235 nan 8.150 nan 0.000 0.443 20 V N 0.803 120.646 119.914 -0.119 0.000 2.255 20 V HA -0.266 3.854 4.120 0.001 0.000 0.247 20 V C 2.216 178.230 176.094 -0.133 0.000 1.051 20 V CA 2.414 64.660 62.300 -0.090 0.000 1.018 20 V CB -0.813 30.961 31.823 -0.081 0.000 0.641 20 V HN 0.492 nan 8.190 nan 0.000 0.445 21 D N -0.293 119.945 120.400 -0.270 0.000 2.149 21 D HA -0.151 4.489 4.640 0.001 0.000 0.198 21 D C 2.253 178.339 176.300 -0.356 0.000 0.990 21 D CA 1.859 55.595 54.000 -0.441 0.000 0.839 21 D CB -0.319 39.941 40.800 -0.899 0.000 0.948 21 D HN 0.394 nan 8.370 nan 0.000 0.460 22 T N -0.053 114.339 114.554 -0.269 0.000 2.904 22 T HA -0.039 4.311 4.350 0.001 0.000 0.267 22 T C 2.109 176.918 174.700 0.182 0.000 1.059 22 T CA 0.376 62.498 62.100 0.037 0.000 1.137 22 T CB 0.105 68.931 68.868 -0.070 0.000 0.879 22 T HN -0.023 nan 8.240 nan 0.000 0.467 23 V N 0.889 120.871 119.914 0.113 0.000 2.446 23 V HA -0.071 4.049 4.120 0.001 0.000 0.244 23 V C 2.621 178.825 176.094 0.183 0.000 1.039 23 V CA 1.354 63.798 62.300 0.240 0.000 1.045 23 V CB -0.519 31.401 31.823 0.161 0.000 0.681 23 V HN 0.389 nan 8.190 nan 0.000 0.459 24 S N -0.063 115.695 115.700 0.097 0.000 2.365 24 S HA -0.308 4.162 4.470 0.001 0.000 0.225 24 S C 2.007 176.673 174.600 0.110 0.000 1.039 24 S CA 2.148 60.393 58.200 0.075 0.000 1.033 24 S CB -0.350 62.867 63.200 0.029 0.000 0.887 24 S HN 0.569 nan 8.310 nan 0.000 0.447 25 K N 1.265 121.765 120.400 0.166 0.000 2.103 25 K HA -0.037 4.284 4.320 0.001 0.000 0.207 25 K C 1.915 178.608 176.600 0.155 0.000 1.048 25 K CA 1.198 57.599 56.287 0.189 0.000 0.930 25 K CB -0.273 32.410 32.500 0.305 0.000 0.716 25 K HN 0.328 nan 8.250 nan 0.000 0.444 26 A N 0.860 123.791 122.820 0.186 0.000 2.167 26 A HA -0.079 4.241 4.320 0.001 0.000 0.214 26 A C 0.692 178.310 177.584 0.057 0.000 1.151 26 A CA 0.748 52.853 52.037 0.113 0.000 0.735 26 A CB -0.600 18.469 19.000 0.116 0.000 0.802 26 A HN 0.715 nan 8.150 nan 0.000 0.467 27 N N -0.820 117.923 118.700 0.072 0.000 2.710 27 N HA -0.195 4.546 4.740 0.001 0.000 0.249 27 N C -0.429 175.089 175.510 0.013 0.000 1.059 27 N CA 0.701 53.773 53.050 0.037 0.000 0.720 27 N CB -0.825 37.676 38.487 0.023 0.000 0.983 27 N HN 0.416 nan 8.380 nan 0.000 0.544 28 S N -0.963 114.751 115.700 0.024 0.000 2.563 28 S HA 0.713 5.183 4.470 0.001 0.000 0.279 28 S C -0.337 174.284 174.600 0.035 0.000 1.155 28 S CA 0.289 58.480 58.200 -0.015 0.000 0.928 28 S CB 1.706 64.870 63.200 -0.060 0.000 1.107 28 S HN 0.880 nan 8.310 nan 0.000 0.462 29 G N 2.992 111.797 108.800 0.008 0.000 2.369 29 G HA2 0.310 4.270 3.960 0.001 0.000 0.295 29 G HA3 0.310 4.270 3.960 0.001 0.000 0.295 29 G C -2.356 172.535 174.900 -0.015 0.000 1.298 29 G CA -0.865 44.322 45.100 0.144 0.000 0.940 29 G HN 0.838 nan 8.290 nan 0.000 0.536 30 H N 0.846 119.997 119.070 0.135 0.000 2.646 30 H HA 0.571 5.127 4.556 0.001 0.000 0.328 30 H C -1.681 173.710 175.328 0.105 0.000 0.998 30 H CA -1.522 54.595 56.048 0.116 0.000 1.225 30 H CB 2.462 32.325 29.762 0.168 0.000 1.457 30 H HN 0.354 nan 8.280 nan 0.000 0.505 31 P HA 0.067 nan 4.420 nan 0.000 0.244 31 P C 1.461 178.828 177.300 0.111 0.000 1.191 31 P CA 0.507 63.674 63.100 0.112 0.000 0.829 31 P CB 0.687 32.430 31.700 0.071 0.000 1.008 32 G N 1.624 110.505 108.800 0.134 0.000 2.480 32 G HA2 -0.282 3.678 3.960 0.001 0.000 0.216 32 G HA3 -0.282 3.678 3.960 0.001 0.000 0.216 32 G C 1.800 176.772 174.900 0.120 0.000 1.200 32 G CA 1.456 46.633 45.100 0.128 0.000 0.782 32 G HN 0.313 nan 8.290 nan 0.000 0.554 33 A N 1.618 124.521 122.820 0.140 0.000 1.883 33 A HA 0.035 4.355 4.320 0.001 0.000 0.217 33 A C 0.819 178.440 177.584 0.061 0.000 1.186 33 A CA 2.156 54.252 52.037 0.098 0.000 0.624 33 A CB -1.268 17.797 19.000 0.108 0.000 0.822 33 A HN 0.396 nan 8.150 nan 0.000 0.444 34 P HA -0.118 nan 4.420 nan 0.000 0.218 34 P C 1.468 178.782 177.300 0.023 0.000 1.148 34 P CA 0.785 63.902 63.100 0.028 0.000 0.822 34 P CB -0.063 31.640 31.700 0.005 0.000 0.784 35 L N -1.298 119.956 121.223 0.052 0.000 2.023 35 L HA -0.044 4.296 4.340 0.001 0.000 0.205 35 L C 2.561 179.474 176.870 0.072 0.000 1.073 35 L CA 1.872 56.760 54.840 0.081 0.000 0.745 35 L CB -1.444 40.691 42.059 0.127 0.000 0.900 35 L HN 0.050 nan 8.230 nan 0.000 0.435 36 G N -0.987 107.852 108.800 0.065 0.000 2.509 36 G HA2 -0.171 3.789 3.960 0.001 0.000 0.218 36 G HA3 -0.171 3.789 3.960 0.001 0.000 0.218 36 G C 1.441 176.296 174.900 -0.074 0.000 1.124 36 G CA 0.290 45.393 45.100 0.005 0.000 0.776 36 G HN 0.255 nan 8.290 nan 0.000 0.547 37 M N 0.318 119.889 119.600 -0.049 0.000 2.371 37 M HA 0.298 4.778 4.480 0.001 0.000 0.246 37 M C 2.639 178.927 176.300 -0.019 0.000 1.103 37 M CA 0.219 55.478 55.300 -0.068 0.000 1.010 37 M CB 0.594 33.163 32.600 -0.052 0.000 1.457 37 M HN 0.247 nan 8.290 nan 0.000 0.486 38 A N 1.938 124.732 122.820 -0.044 0.000 1.892 38 A HA -0.104 4.217 4.320 0.001 0.000 0.218 38 A C -0.489 177.064 177.584 -0.052 0.000 1.188 38 A CA 1.660 53.663 52.037 -0.056 0.000 0.631 38 A CB -1.772 17.170 19.000 -0.097 0.000 0.822 38 A HN 0.278 nan 8.150 nan 0.000 0.447 39 P HA -0.129 nan 4.420 nan 0.000 0.214 39 P C 1.830 179.101 177.300 -0.050 0.000 1.163 39 P CA 2.034 65.065 63.100 -0.114 0.000 0.883 39 P CB -0.188 31.394 31.700 -0.196 0.000 0.788 40 A N -0.100 122.695 122.820 -0.041 0.000 1.940 40 A HA -0.180 4.140 4.320 0.001 0.000 0.219 40 A C 2.326 180.029 177.584 0.198 0.000 1.176 40 A CA 2.348 54.405 52.037 0.033 0.000 0.631 40 A CB -1.678 17.299 19.000 -0.038 0.000 0.814 40 A HN 0.205 nan 8.150 nan 0.000 0.446 41 A N -1.025 121.944 122.820 0.248 0.000 1.898 41 A HA -0.135 4.185 4.320 0.001 0.000 0.216 41 A C 2.033 179.612 177.584 -0.008 0.000 1.181 41 A CA 2.056 54.185 52.037 0.154 0.000 0.620 41 A CB -0.857 18.132 19.000 -0.017 0.000 0.819 41 A HN 0.784 nan 8.150 nan 0.000 0.442 42 H N -0.431 118.606 119.070 -0.054 0.000 2.321 42 H HA -0.065 4.491 4.556 0.001 0.000 0.300 42 H C 1.826 177.194 175.328 0.067 0.000 1.087 42 H CA 2.013 58.067 56.048 0.009 0.000 1.319 42 H CB -0.292 29.469 29.762 -0.002 0.000 1.379 42 H HN 0.099 nan 8.280 nan 0.000 0.501 43 V N 0.304 120.153 119.914 -0.109 0.000 2.295 43 V HA -0.216 3.904 4.120 0.001 0.000 0.246 43 V C 2.611 178.663 176.094 -0.070 0.000 1.049 43 V CA 1.733 63.953 62.300 -0.133 0.000 1.024 43 V CB -0.736 31.002 31.823 -0.142 0.000 0.648 43 V HN 0.403 nan 8.190 nan 0.000 0.447 44 L N -0.897 120.304 121.223 -0.036 0.000 1.976 44 L HA -0.145 4.195 4.340 0.001 0.000 0.209 44 L C 2.092 178.852 176.870 -0.184 0.000 1.071 44 L CA 2.160 56.917 54.840 -0.139 0.000 0.746 44 L CB -0.710 41.291 42.059 -0.097 0.000 0.890 44 L HN 0.406 nan 8.230 nan 0.000 0.432 45 W N -0.239 120.831 121.300 -0.385 0.000 2.387 45 W HA -0.111 4.550 4.660 0.000 0.000 0.272 45 W C 2.754 179.137 176.519 -0.227 0.000 1.224 45 W CA 1.309 58.443 57.345 -0.352 0.000 1.210 45 W CB -1.027 28.203 29.460 -0.383 0.000 1.125 45 W HN 0.144 nan 8.180 nan 0.000 0.572 46 S N -0.226 115.472 115.700 -0.003 0.000 2.428 46 S HA -0.169 4.301 4.470 0.001 0.000 0.230 46 S C 1.559 176.165 174.600 0.009 0.000 1.014 46 S CA 1.471 59.684 58.200 0.020 0.000 0.957 46 S CB -0.251 62.953 63.200 0.007 0.000 0.784 46 S HN 0.466 nan 8.310 nan 0.000 0.499 47 Q N 0.082 119.859 119.800 -0.038 0.000 2.247 47 Q HA 0.377 4.717 4.340 0.001 0.000 0.204 47 Q C 0.268 176.231 176.000 -0.062 0.000 0.872 47 Q CA 0.040 55.822 55.803 -0.035 0.000 0.951 47 Q CB -0.334 28.387 28.738 -0.027 0.000 1.099 47 Q HN 0.341 nan 8.270 nan 0.000 0.501 48 M N 1.524 121.052 119.600 -0.121 0.000 2.211 48 M HA 0.262 4.742 4.480 0.001 0.000 0.356 48 M C -0.225 176.065 176.300 -0.017 0.000 1.216 48 M CA -0.326 54.907 55.300 -0.112 0.000 1.134 48 M CB 1.085 33.498 32.600 -0.311 0.000 1.564 48 M HN 0.143 nan 8.290 nan 0.000 0.463 49 R N 5.298 125.823 120.500 0.041 0.000 2.205 49 R HA 0.528 4.868 4.340 0.001 0.000 0.342 49 R C -1.161 175.185 176.300 0.077 0.000 1.058 49 R CA 0.019 56.174 56.100 0.092 0.000 0.904 49 R CB 0.358 30.725 30.300 0.113 0.000 1.089 49 R HN 0.747 nan 8.270 nan 0.000 0.471 50 M N 1.317 121.006 119.600 0.149 0.000 2.813 50 M HA 0.479 4.959 4.480 0.001 0.000 0.270 50 M C -1.470 174.958 176.300 0.213 0.000 1.267 50 M CA -1.216 54.186 55.300 0.170 0.000 0.822 50 M CB 1.860 34.488 32.600 0.048 0.000 1.671 50 M HN 0.224 nan 8.290 nan 0.000 0.468 51 N N 0.186 118.986 118.700 0.166 0.000 2.581 51 N HA 0.490 5.230 4.740 0.001 0.000 0.279 51 N C -2.686 172.716 175.510 -0.181 0.000 1.124 51 N CA -1.840 51.218 53.050 0.013 0.000 0.833 51 N CB 1.958 40.447 38.487 0.003 0.000 1.338 51 N HN 0.324 nan 8.380 nan 0.000 0.533 52 P HA -0.080 nan 4.420 nan 0.000 0.218 52 P C 0.766 177.715 177.300 -0.584 0.000 1.146 52 P CA 1.357 63.912 63.100 -0.910 0.000 0.813 52 P CB 0.372 31.741 31.700 -0.551 0.000 0.778 53 T N -2.083 112.298 114.554 -0.288 0.000 3.035 53 T HA -0.060 4.290 4.350 0.001 0.000 0.268 53 T C 0.757 175.382 174.700 -0.125 0.000 1.109 53 T CA 0.715 62.711 62.100 -0.174 0.000 1.119 53 T CB -0.650 68.143 68.868 -0.124 0.000 0.900 53 T HN 0.227 nan 8.240 nan 0.000 0.503 54 N N 0.591 119.222 118.700 -0.115 0.000 2.710 54 N HA 0.158 4.899 4.740 0.001 0.000 0.244 54 N C -2.862 172.657 175.510 0.014 0.000 1.321 54 N CA -1.345 51.680 53.050 -0.041 0.000 0.758 54 N CB 1.601 40.065 38.487 -0.039 0.000 1.284 54 N HN -0.109 nan 8.380 nan 0.000 0.530 55 P HA -0.011 nan 4.420 nan 0.000 0.231 55 P C 0.045 177.375 177.300 0.051 0.000 1.158 55 P CA 0.874 64.032 63.100 0.096 0.000 0.763 55 P CB 0.259 32.061 31.700 0.170 0.000 0.805 56 D N -3.264 117.155 120.400 0.031 0.000 2.398 56 D HA -0.006 4.634 4.640 0.001 0.000 0.210 56 D C 0.255 176.546 176.300 -0.015 0.000 1.094 56 D CA -0.234 53.758 54.000 -0.013 0.000 0.839 56 D CB -0.055 40.740 40.800 -0.008 0.000 0.963 56 D HN 0.141 nan 8.370 nan 0.000 0.506 57 W N 2.352 123.533 121.300 -0.198 0.000 2.409 57 W HA -0.127 4.533 4.660 0.001 0.000 0.338 57 W C 1.189 177.464 176.519 -0.406 0.000 1.273 57 W CA -0.779 56.381 57.345 -0.309 0.000 1.299 57 W CB 0.226 29.513 29.460 -0.288 0.000 1.192 57 W HN -0.100 nan 8.180 nan 0.000 0.565 58 I N 4.832 125.103 120.570 -0.498 0.000 2.394 58 I HA -0.189 3.981 4.170 0.001 0.000 0.251 58 I C 1.564 177.131 176.117 -0.916 0.000 1.136 58 I CA 1.495 62.381 61.300 -0.691 0.000 1.425 58 I CB -0.476 37.222 38.000 -0.504 0.000 1.079 58 I HN 0.539 nan 8.210 nan 0.000 0.425 59 N N 1.311 119.107 118.700 -1.507 0.000 2.455 59 N HA 0.078 4.818 4.740 0.001 0.000 0.258 59 N C -0.392 174.179 175.510 -1.564 0.000 1.158 59 N CA -0.252 52.050 53.050 -1.246 0.000 0.893 59 N CB -0.187 37.698 38.487 -1.003 0.000 1.173 59 N HN 0.346 nan 8.380 nan 0.000 0.503 60 R N -0.702 118.997 120.500 -1.336 0.000 2.349 60 R HA 0.369 4.709 4.340 0.001 0.000 0.299 60 R C -0.891 175.142 176.300 -0.445 0.000 1.027 60 R CA -0.714 54.825 56.100 -0.935 0.000 0.958 60 R CB 0.788 30.754 30.300 -0.557 0.000 1.047 60 R HN -0.057 nan 8.270 nan 0.000 0.468 61 D N 2.675 122.919 120.400 -0.260 0.000 2.488 61 D HA 0.025 4.665 4.640 0.001 0.000 0.238 61 D C -0.229 176.031 176.300 -0.066 0.000 1.138 61 D CA 0.489 54.447 54.000 -0.071 0.000 0.873 61 D CB 0.703 41.580 40.800 0.129 0.000 1.183 61 D HN 0.364 nan 8.370 nan 0.000 0.458 62 R N 1.428 121.907 120.500 -0.036 0.000 2.460 62 R HA 0.442 4.782 4.340 0.001 0.000 0.303 62 R C -0.547 175.809 176.300 0.094 0.000 0.968 62 R CA -0.815 55.279 56.100 -0.010 0.000 0.889 62 R CB 1.350 31.632 30.300 -0.030 0.000 1.123 62 R HN 0.303 nan 8.270 nan 0.000 0.455 63 F N 2.639 122.523 119.950 -0.109 0.000 2.492 63 F HA 0.622 5.149 4.527 0.001 0.000 0.327 63 F C -1.066 174.706 175.800 -0.047 0.000 1.079 63 F CA -0.945 56.993 58.000 -0.104 0.000 0.967 63 F CB 1.513 40.308 39.000 -0.343 0.000 1.169 63 F HN 0.137 nan 8.300 nan 0.000 0.472 64 V N 6.651 126.034 119.914 -0.886 0.000 2.612 64 V HA 0.264 4.385 4.120 0.001 0.000 0.301 64 V C -1.028 174.581 176.094 -0.809 0.000 1.059 64 V CA -0.729 61.183 62.300 -0.648 0.000 0.886 64 V CB 1.611 33.286 31.823 -0.245 0.000 1.007 64 V HN 0.691 nan 8.190 nan 0.000 0.426 65 L N 4.111 124.978 121.223 -0.594 0.000 2.389 65 L HA 0.353 4.694 4.340 0.001 0.000 0.265 65 L C 1.614 178.416 176.870 -0.113 0.000 1.167 65 L CA 0.866 55.533 54.840 -0.288 0.000 1.045 65 L CB 0.822 42.807 42.059 -0.124 0.000 1.351 65 L HN 0.780 nan 8.230 nan 0.000 0.419 66 S N 3.045 118.706 115.700 -0.066 0.000 2.383 66 S HA -0.178 4.292 4.470 0.001 0.000 0.229 66 S C 1.040 175.631 174.600 -0.015 0.000 1.030 66 S CA 1.468 59.654 58.200 -0.024 0.000 1.002 66 S CB -0.441 62.759 63.200 0.001 0.000 0.829 66 S HN 0.908 nan 8.310 nan 0.000 0.467 67 N N 0.381 119.064 118.700 -0.029 0.000 3.178 67 N HA 0.321 5.062 4.740 0.001 0.000 0.300 67 N C 1.101 176.425 175.510 -0.310 0.000 1.242 67 N CA 0.242 53.218 53.050 -0.122 0.000 1.192 67 N CB 0.467 38.881 38.487 -0.122 0.000 1.463 67 N HN 0.239 nan 8.380 nan 0.000 0.539 68 G N 1.769 110.511 108.800 -0.098 0.000 2.562 68 G HA2 -0.404 3.556 3.960 0.001 0.000 0.223 68 G HA3 -0.404 3.556 3.960 0.001 0.000 0.223 68 G C 1.335 176.216 174.900 -0.032 0.000 1.102 68 G CA 1.153 46.248 45.100 -0.009 0.000 0.742 68 G HN 0.858 nan 8.290 nan 0.000 0.587 69 H N -0.156 118.915 119.070 0.001 0.000 2.491 69 H HA 0.223 4.779 4.556 0.001 0.000 0.290 69 H C 2.343 177.545 175.328 -0.210 0.000 1.050 69 H CA 0.900 56.788 56.048 -0.265 0.000 1.309 69 H CB -0.706 28.672 29.762 -0.640 0.000 1.392 69 H HN 0.342 nan 8.280 nan 0.000 0.554 70 A N 1.941 124.536 122.820 -0.375 0.000 2.255 70 A HA 0.143 4.463 4.320 0.001 0.000 0.206 70 A C 2.416 179.913 177.584 -0.144 0.000 1.193 70 A CA 0.519 52.463 52.037 -0.155 0.000 0.794 70 A CB -0.865 18.064 19.000 -0.119 0.000 0.794 70 A HN 0.272 nan 8.150 nan 0.000 0.481 71 V N -0.269 119.522 119.914 -0.205 0.000 2.280 71 V HA -0.449 3.671 4.120 0.001 0.000 0.258 71 V C 2.881 178.649 176.094 -0.543 0.000 1.081 71 V CA 2.327 64.394 62.300 -0.389 0.000 1.070 71 V CB -1.917 29.645 31.823 -0.436 0.000 0.666 71 V HN 0.639 nan 8.190 nan 0.000 0.450 72 A N 0.348 122.933 122.820 -0.391 0.000 1.940 72 A HA -0.280 4.040 4.320 0.001 0.000 0.221 72 A C 2.195 179.623 177.584 -0.261 0.000 1.190 72 A CA 2.592 54.393 52.037 -0.394 0.000 0.647 72 A CB -0.692 18.159 19.000 -0.249 0.000 0.821 72 A HN 0.559 nan 8.150 nan 0.000 0.457 73 L N -0.818 120.294 121.223 -0.184 0.000 1.989 73 L HA -0.162 4.179 4.340 0.001 0.000 0.211 73 L C 2.265 179.014 176.870 -0.201 0.000 1.071 73 L CA 2.403 57.158 54.840 -0.141 0.000 0.749 73 L CB -0.876 41.158 42.059 -0.043 0.000 0.890 73 L HN 0.367 nan 8.230 nan 0.000 0.431 74 L N -0.991 120.115 121.223 -0.194 0.000 1.990 74 L HA -0.282 4.059 4.340 0.001 0.000 0.213 74 L C 2.462 179.257 176.870 -0.124 0.000 1.072 74 L CA 2.008 56.753 54.840 -0.158 0.000 0.755 74 L CB -1.264 40.727 42.059 -0.114 0.000 0.889 74 L HN 0.363 nan 8.230 nan 0.000 0.432 75 Y N -0.109 120.124 120.300 -0.112 0.000 2.165 75 Y HA -0.207 4.343 4.550 0.001 0.000 0.286 75 Y C 2.872 178.720 175.900 -0.086 0.000 1.155 75 Y CA 1.103 59.147 58.100 -0.093 0.000 1.164 75 Y CB -1.496 36.888 38.460 -0.127 0.000 0.978 75 Y HN 0.243 nan 8.280 nan 0.000 0.513 76 S N -0.336 115.374 115.700 0.017 0.000 2.353 76 S HA -0.226 4.244 4.470 0.001 0.000 0.222 76 S C 2.121 176.668 174.600 -0.088 0.000 1.035 76 S CA 1.643 59.838 58.200 -0.008 0.000 1.025 76 S CB -0.334 62.817 63.200 -0.081 0.000 0.902 76 S HN 0.300 nan 8.310 nan 0.000 0.440 77 M N 1.120 120.518 119.600 -0.336 0.000 2.080 77 M HA -0.035 4.445 4.480 0.001 0.000 0.260 77 M C 2.179 178.225 176.300 -0.423 0.000 1.068 77 M CA 1.397 56.298 55.300 -0.664 0.000 1.109 77 M CB -1.765 29.925 32.600 -1.517 0.000 1.342 77 M HN 0.280 nan 8.290 nan 0.000 0.405 78 L N -1.117 119.952 121.223 -0.256 0.000 2.043 78 L HA -0.283 4.057 4.340 0.001 0.000 0.212 78 L C 2.677 179.626 176.870 0.132 0.000 1.075 78 L CA 1.758 56.549 54.840 -0.082 0.000 0.752 78 L CB -0.995 41.035 42.059 -0.049 0.000 0.891 78 L HN 0.369 nan 8.230 nan 0.000 0.432 79 H N 0.451 119.564 119.070 0.071 0.000 2.276 79 H HA -0.141 4.416 4.556 0.001 0.000 0.301 79 H C 2.164 177.618 175.328 0.211 0.000 1.073 79 H CA 1.761 57.896 56.048 0.145 0.000 1.311 79 H CB -0.289 29.554 29.762 0.134 0.000 1.379 79 H HN 0.115 nan 8.280 nan 0.000 0.494 80 L N 0.131 121.294 121.223 -0.100 0.000 2.127 80 L HA -0.147 4.193 4.340 0.001 0.000 0.211 80 L C 2.398 179.286 176.870 0.030 0.000 1.089 80 L CA 1.820 56.650 54.840 -0.017 0.000 0.757 80 L CB -0.715 41.367 42.059 0.039 0.000 0.899 80 L HN 0.555 nan 8.230 nan 0.000 0.434 81 T N -4.011 110.500 114.554 -0.071 0.000 3.129 81 T HA 0.295 4.646 4.350 0.001 0.000 0.251 81 T C 1.347 176.131 174.700 0.140 0.000 1.117 81 T CA 0.485 62.584 62.100 -0.002 0.000 1.034 81 T CB 0.638 69.534 68.868 0.047 0.000 0.968 81 T HN 0.492 nan 8.240 nan 0.000 0.526 82 G N -0.180 108.700 108.800 0.133 0.000 2.192 82 G HA2 -0.143 3.817 3.960 0.001 0.000 0.193 82 G HA3 -0.143 3.817 3.960 0.001 0.000 0.193 82 G C -0.199 174.731 174.900 0.049 0.000 0.999 82 G CA -0.536 44.597 45.100 0.054 0.000 0.659 82 G HN 0.517 nan 8.290 nan 0.000 0.503 83 Y N 0.873 121.199 120.300 0.043 0.000 2.299 83 Y HA 0.468 5.019 4.550 0.001 0.000 0.335 83 Y C 0.947 176.882 175.900 0.059 0.000 1.287 83 Y CA -0.178 57.959 58.100 0.062 0.000 1.424 83 Y CB 0.556 39.076 38.460 0.099 0.000 1.326 83 Y HN 0.060 nan 8.280 nan 0.000 0.567 84 D N 1.966 122.492 120.400 0.211 0.000 2.597 84 D HA 0.179 4.819 4.640 0.001 0.000 0.228 84 D C -1.626 174.755 176.300 0.134 0.000 1.120 84 D CA 0.296 54.375 54.000 0.132 0.000 1.083 84 D CB -0.893 39.958 40.800 0.086 0.000 1.116 84 D HN 0.289 nan 8.370 nan 0.000 0.487 85 L N 2.118 123.442 121.223 0.169 0.000 2.541 85 L HA 0.324 4.665 4.340 0.001 0.000 0.266 85 L C -0.460 176.541 176.870 0.218 0.000 0.966 85 L CA -0.448 54.470 54.840 0.131 0.000 0.871 85 L CB 1.431 43.560 42.059 0.116 0.000 1.232 85 L HN 0.154 nan 8.230 nan 0.000 0.408 86 S N 4.566 120.331 115.700 0.108 0.000 2.730 86 S HA 0.488 4.958 4.470 0.001 0.000 0.284 86 S C 1.412 175.931 174.600 -0.135 0.000 1.153 86 S CA -0.826 57.421 58.200 0.079 0.000 0.995 86 S CB 0.850 64.079 63.200 0.047 0.000 1.058 86 S HN 0.501 nan 8.310 nan 0.000 0.552 87 I N 0.951 121.379 120.570 -0.236 0.000 2.335 87 I HA -0.115 4.055 4.170 0.001 0.000 0.251 87 I C 2.525 178.480 176.117 -0.269 0.000 1.129 87 I CA 1.366 62.495 61.300 -0.284 0.000 1.402 87 I CB -1.488 36.409 38.000 -0.172 0.000 1.069 87 I HN 0.741 nan 8.210 nan 0.000 0.424 88 E N 0.915 121.010 120.200 -0.175 0.000 2.077 88 E HA -0.196 4.154 4.350 0.001 0.000 0.193 88 E C 1.722 178.243 176.600 -0.131 0.000 0.989 88 E CA 1.096 57.401 56.400 -0.159 0.000 0.800 88 E CB -0.092 29.553 29.700 -0.091 0.000 0.746 88 E HN 0.487 nan 8.360 nan 0.000 0.452 89 D N 0.429 120.769 120.400 -0.101 0.000 2.144 89 D HA -0.101 4.540 4.640 0.001 0.000 0.200 89 D C 2.173 178.426 176.300 -0.078 0.000 0.978 89 D CA 0.436 54.386 54.000 -0.084 0.000 0.833 89 D CB -0.136 40.611 40.800 -0.088 0.000 0.961 89 D HN 0.190 nan 8.370 nan 0.000 0.470 90 L N 0.478 121.645 121.223 -0.093 0.000 2.093 90 L HA -0.130 4.210 4.340 0.001 0.000 0.208 90 L C 2.227 179.130 176.870 0.055 0.000 1.085 90 L CA 1.072 55.916 54.840 0.007 0.000 0.755 90 L CB -0.207 41.904 42.059 0.087 0.000 0.904 90 L HN -0.050 nan 8.230 nan 0.000 0.435 91 K N -0.223 120.067 120.400 -0.182 0.000 2.362 91 K HA -0.145 4.175 4.320 0.001 0.000 0.200 91 K C 1.243 177.836 176.600 -0.011 0.000 1.046 91 K CA 0.757 56.917 56.287 -0.212 0.000 0.952 91 K CB 0.096 32.345 32.500 -0.418 0.000 0.753 91 K HN 0.302 nan 8.250 nan 0.000 0.466 92 Q N -0.205 119.609 119.800 0.024 0.000 2.189 92 Q HA 0.113 4.453 4.340 0.001 0.000 0.221 92 Q C -0.659 175.415 176.000 0.124 0.000 0.848 92 Q CA -0.435 55.397 55.803 0.048 0.000 1.007 92 Q CB 0.270 29.012 28.738 0.006 0.000 1.116 92 Q HN 0.107 nan 8.270 nan 0.000 0.481 93 F N 1.737 121.702 119.950 0.025 0.000 2.629 93 F HA -0.097 4.430 4.527 0.000 0.000 0.377 93 F C 0.934 176.781 175.800 0.079 0.000 1.101 93 F CA 0.670 58.714 58.000 0.073 0.000 1.301 93 F CB 0.288 39.378 39.000 0.150 0.000 1.062 93 F HN 0.222 nan 8.300 nan 0.000 0.583 94 R N 0.700 120.933 120.500 -0.445 0.000 4.016 94 R HA -0.225 4.115 4.340 0.001 0.000 0.385 94 R C -0.365 175.836 176.300 -0.164 0.000 1.158 94 R CA 0.991 56.825 56.100 -0.443 0.000 1.117 94 R CB -1.358 28.537 30.300 -0.676 0.000 1.635 94 R HN 0.628 nan 8.270 nan 0.000 0.560 95 Q N 0.723 120.481 119.800 -0.071 0.000 2.222 95 Q HA 0.287 4.628 4.340 0.001 0.000 0.252 95 Q C 0.039 176.030 176.000 -0.014 0.000 0.926 95 Q CA -0.941 54.844 55.803 -0.030 0.000 0.899 95 Q CB 0.915 29.648 28.738 -0.007 0.000 1.250 95 Q HN 0.143 nan 8.270 nan 0.000 0.441 96 L N 1.600 122.818 121.223 -0.009 0.000 2.615 96 L HA 0.166 4.506 4.340 0.001 0.000 0.271 96 L C 1.065 177.938 176.870 0.005 0.000 1.183 96 L CA 1.992 56.832 54.840 0.001 0.000 0.933 96 L CB -0.402 41.658 42.059 0.001 0.000 1.199 96 L HN 0.933 nan 8.230 nan 0.000 0.487 97 G N 1.955 110.762 108.800 0.011 0.000 2.175 97 G HA2 -0.277 3.683 3.960 0.001 0.000 0.244 97 G HA3 -0.277 3.683 3.960 0.001 0.000 0.244 97 G C 0.316 175.223 174.900 0.011 0.000 0.982 97 G CA 0.287 45.394 45.100 0.012 0.000 0.641 97 G HN 1.043 nan 8.290 nan 0.000 0.527 98 S N -0.703 115.004 115.700 0.012 0.000 2.645 98 S HA 0.622 5.093 4.470 0.001 0.000 0.266 98 S C 1.107 175.712 174.600 0.007 0.000 1.258 98 S CA -0.166 58.038 58.200 0.007 0.000 0.990 98 S CB 1.377 64.585 63.200 0.014 0.000 0.967 98 S HN 0.291 nan 8.310 nan 0.000 0.556 99 R N 0.186 120.675 120.500 -0.017 0.000 2.310 99 R HA 0.075 4.416 4.340 0.001 0.000 0.202 99 R C 0.185 176.433 176.300 -0.087 0.000 0.933 99 R CA 0.669 56.749 56.100 -0.033 0.000 1.054 99 R CB -0.290 29.982 30.300 -0.047 0.000 0.985 99 R HN 0.873 nan 8.270 nan 0.000 0.489 100 T N -0.244 114.268 114.554 -0.070 0.000 3.390 100 T HA 0.288 4.638 4.350 0.001 0.000 0.315 100 T C -2.364 172.513 174.700 0.294 0.000 1.799 100 T CA -1.909 60.137 62.100 -0.091 0.000 1.553 100 T CB 1.151 69.942 68.868 -0.128 0.000 1.002 100 T HN -0.063 nan 8.240 nan 0.000 0.715 101 P HA 0.172 nan 4.420 nan 0.000 0.274 101 P C 1.339 178.806 177.300 0.279 0.000 1.260 101 P CA -0.126 63.104 63.100 0.216 0.000 0.793 101 P CB 0.469 32.286 31.700 0.195 0.000 1.048 102 G N -0.890 107.961 108.800 0.085 0.000 2.559 102 G HA2 -0.100 3.861 3.960 0.001 0.000 0.216 102 G HA3 -0.100 3.861 3.960 0.001 0.000 0.216 102 G C 0.011 174.803 174.900 -0.180 0.000 1.126 102 G CA 0.847 45.922 45.100 -0.041 0.000 0.778 102 G HN 0.614 nan 8.290 nan 0.000 0.543 103 H N -1.057 118.132 119.070 0.198 0.000 2.974 103 H HA 0.366 4.922 4.556 0.001 0.000 0.366 103 H C -2.531 172.897 175.328 0.166 0.000 1.155 103 H CA -1.605 54.529 56.048 0.143 0.000 1.186 103 H CB 2.249 32.072 29.762 0.102 0.000 1.799 103 H HN -0.138 nan 8.280 nan 0.000 0.541 104 P HA -0.041 nan 4.420 nan 0.000 0.261 104 P C -0.564 176.873 177.300 0.229 0.000 1.183 104 P CA 0.313 63.536 63.100 0.205 0.000 0.761 104 P CB 0.997 32.764 31.700 0.111 0.000 0.785 105 E N 1.848 122.192 120.200 0.239 0.000 2.166 105 E HA 0.148 4.498 4.350 0.001 0.000 0.275 105 E C 0.565 177.298 176.600 0.223 0.000 0.941 105 E CA -0.691 55.840 56.400 0.219 0.000 0.784 105 E CB 0.643 30.454 29.700 0.185 0.000 1.115 105 E HN 0.318 nan 8.360 nan 0.000 0.399 106 F N 3.653 123.664 119.950 0.101 0.000 2.184 106 F HA -0.240 4.287 4.527 0.001 0.000 0.301 106 F C 1.344 177.203 175.800 0.097 0.000 1.076 106 F CA 2.067 60.128 58.000 0.102 0.000 1.295 106 F CB 0.174 39.215 39.000 0.068 0.000 1.026 106 F HN 0.592 nan 8.300 nan 0.000 0.494 107 E N 0.239 120.422 120.200 -0.029 0.000 2.338 107 E HA -0.079 4.272 4.350 0.001 0.000 0.197 107 E C 0.577 177.122 176.600 -0.092 0.000 1.007 107 E CA 0.361 56.700 56.400 -0.102 0.000 0.849 107 E CB -0.307 29.407 29.700 0.023 0.000 0.774 107 E HN 0.365 nan 8.360 nan 0.000 0.506 108 L N 1.803 123.005 121.223 -0.036 0.000 2.305 108 L HA 0.291 4.631 4.340 0.001 0.000 0.281 108 L C -2.555 174.314 176.870 -0.001 0.000 1.085 108 L CA -2.455 52.391 54.840 0.010 0.000 0.813 108 L CB 0.686 42.791 42.059 0.077 0.000 1.157 108 L HN -0.269 nan 8.230 nan 0.000 0.436 109 P HA 0.188 nan 4.420 nan 0.000 0.261 109 P C 0.499 177.887 177.300 0.146 0.000 1.183 109 P CA 1.110 64.267 63.100 0.095 0.000 0.761 109 P CB 0.634 32.420 31.700 0.144 0.000 0.785 110 G N 1.677 110.555 108.800 0.130 0.000 2.232 110 G HA2 -0.192 3.768 3.960 0.001 0.000 0.226 110 G HA3 -0.192 3.768 3.960 0.001 0.000 0.226 110 G C -0.065 174.847 174.900 0.019 0.000 0.996 110 G CA -0.264 44.832 45.100 -0.007 0.000 0.626 110 G HN 0.513 nan 8.290 nan 0.000 0.509 111 V N 2.222 122.163 119.914 0.044 0.000 2.328 111 V HA 0.423 4.543 4.120 0.001 0.000 0.278 111 V C 1.112 177.242 176.094 0.060 0.000 1.021 111 V CA -0.471 61.876 62.300 0.079 0.000 0.838 111 V CB 1.553 33.447 31.823 0.120 0.000 0.999 111 V HN 0.265 nan 8.190 nan 0.000 0.447 112 E N 3.274 123.547 120.200 0.120 0.000 2.216 112 E HA 0.004 4.354 4.350 0.001 0.000 0.192 112 E C 0.420 177.294 176.600 0.457 0.000 0.988 112 E CA 0.892 57.414 56.400 0.204 0.000 0.834 112 E CB 0.445 30.206 29.700 0.103 0.000 0.772 112 E HN 0.680 nan 8.360 nan 0.000 0.479 113 V N -2.995 117.161 119.914 0.404 0.000 3.253 113 V HA 0.423 4.543 4.120 0.001 0.000 0.300 113 V C -0.373 175.922 176.094 0.335 0.000 1.398 113 V CA -1.177 61.375 62.300 0.419 0.000 1.067 113 V CB 1.788 33.708 31.823 0.161 0.000 1.102 113 V HN -0.234 nan 8.190 nan 0.000 0.455 114 T N 2.393 117.116 114.554 0.282 0.000 2.749 114 T HA 0.717 5.068 4.350 0.001 0.000 0.287 114 T C 0.109 174.892 174.700 0.139 0.000 0.970 114 T CA 0.194 62.420 62.100 0.210 0.000 0.980 114 T CB 0.948 69.926 68.868 0.184 0.000 0.924 114 T HN 1.236 nan 8.240 nan 0.000 0.456 115 T N -0.002 114.624 114.554 0.120 0.000 2.883 115 T HA 0.899 5.249 4.350 0.001 0.000 0.284 115 T C 0.847 175.600 174.700 0.088 0.000 1.041 115 T CA -0.027 62.121 62.100 0.080 0.000 1.007 115 T CB 2.020 70.917 68.868 0.049 0.000 1.220 115 T HN 0.705 nan 8.240 nan 0.000 0.552 116 G N 0.143 108.977 108.800 0.058 0.000 4.020 116 G HA2 0.059 4.019 3.960 0.001 0.000 0.195 116 G HA3 0.059 4.019 3.960 0.001 0.000 0.195 116 G C -2.619 172.260 174.900 -0.036 0.000 1.819 116 G CA -0.580 44.514 45.100 -0.010 0.000 1.109 116 G HN 0.830 nan 8.290 nan 0.000 0.385 117 P HA 0.466 nan 4.420 nan 0.000 0.266 117 P C 0.364 177.666 177.300 0.004 0.000 1.215 117 P CA -0.033 63.054 63.100 -0.022 0.000 0.763 117 P CB 0.529 32.229 31.700 0.000 0.000 0.806 118 L N 2.519 123.746 121.223 0.007 0.000 2.485 118 L HA 0.161 4.501 4.340 0.001 0.000 0.275 118 L C 1.840 178.692 176.870 -0.030 0.000 1.207 118 L CA 1.005 55.847 54.840 0.004 0.000 0.855 118 L CB -0.486 41.573 42.059 0.000 0.000 1.114 118 L HN 0.789 nan 8.230 nan 0.000 0.485 119 G N 0.676 109.453 108.800 -0.038 0.000 2.284 119 G HA2 -0.270 3.691 3.960 0.001 0.000 0.247 119 G HA3 -0.270 3.691 3.960 0.001 0.000 0.247 119 G C 0.980 175.831 174.900 -0.081 0.000 1.012 119 G CA 0.228 45.284 45.100 -0.072 0.000 0.618 119 G HN 0.598 nan 8.290 nan 0.000 0.521 120 Q N 0.427 120.194 119.800 -0.056 0.000 2.123 120 Q HA 0.045 4.385 4.340 0.001 0.000 0.199 120 Q C 2.743 178.729 176.000 -0.024 0.000 0.966 120 Q CA 1.773 57.551 55.803 -0.042 0.000 0.845 120 Q CB -0.650 28.088 28.738 0.001 0.000 0.907 120 Q HN 0.655 nan 8.270 nan 0.000 0.439 121 G N 1.556 110.347 108.800 -0.015 0.000 2.404 121 G HA2 -0.237 3.724 3.960 0.001 0.000 0.215 121 G HA3 -0.237 3.724 3.960 0.001 0.000 0.215 121 G C 1.519 176.409 174.900 -0.017 0.000 1.174 121 G CA 0.758 45.847 45.100 -0.018 0.000 0.780 121 G HN 0.369 nan 8.290 nan 0.000 0.537 122 I N 1.051 121.619 120.570 -0.003 0.000 2.361 122 I HA -0.104 4.066 4.170 0.001 0.000 0.251 122 I C 2.590 178.725 176.117 0.031 0.000 1.133 122 I CA 1.932 63.250 61.300 0.030 0.000 1.413 122 I CB -0.118 37.908 38.000 0.043 0.000 1.073 122 I HN 0.086 nan 8.210 nan 0.000 0.424 123 S N 0.644 116.341 115.700 -0.005 0.000 2.387 123 S HA -0.087 4.384 4.470 0.001 0.000 0.226 123 S C 1.707 176.289 174.600 -0.031 0.000 1.026 123 S CA 1.491 59.682 58.200 -0.015 0.000 0.972 123 S CB -0.822 62.349 63.200 -0.048 0.000 0.814 123 S HN 0.616 nan 8.310 nan 0.000 0.477 124 N N 2.131 120.806 118.700 -0.042 0.000 2.069 124 N HA -0.081 4.659 4.740 0.001 0.000 0.191 124 N C 1.982 177.453 175.510 -0.065 0.000 1.031 124 N CA 1.061 54.070 53.050 -0.068 0.000 0.852 124 N CB -0.322 38.129 38.487 -0.060 0.000 1.018 124 N HN 0.412 nan 8.380 nan 0.000 0.423 125 A N 0.865 123.661 122.820 -0.039 0.000 1.940 125 A HA -0.127 4.193 4.320 0.001 0.000 0.219 125 A C 2.365 179.919 177.584 -0.051 0.000 1.176 125 A CA 1.255 53.270 52.037 -0.037 0.000 0.631 125 A CB -0.784 18.214 19.000 -0.004 0.000 0.814 125 A HN 0.133 nan 8.150 nan 0.000 0.446 126 V N -0.245 119.653 119.914 -0.027 0.000 2.427 126 V HA -0.162 3.958 4.120 0.001 0.000 0.248 126 V C 2.759 178.783 176.094 -0.115 0.000 1.051 126 V CA 1.784 64.059 62.300 -0.042 0.000 1.048 126 V CB -1.376 30.456 31.823 0.014 0.000 0.666 126 V HN 0.621 nan 8.190 nan 0.000 0.456 127 G N -0.164 108.562 108.800 -0.123 0.000 2.433 127 G HA2 -0.277 3.683 3.960 0.001 0.000 0.216 127 G HA3 -0.277 3.683 3.960 0.001 0.000 0.216 127 G C 1.574 176.321 174.900 -0.255 0.000 1.186 127 G CA 1.080 46.065 45.100 -0.192 0.000 0.779 127 G HN 0.450 nan 8.290 nan 0.000 0.543 128 M N 0.925 120.417 119.600 -0.180 0.000 2.337 128 M HA -0.016 4.464 4.480 0.001 0.000 0.261 128 M C 2.728 178.854 176.300 -0.290 0.000 1.067 128 M CA 1.251 56.456 55.300 -0.158 0.000 1.074 128 M CB -0.116 32.470 32.600 -0.022 0.000 1.395 128 M HN 0.344 nan 8.290 nan 0.000 0.431 129 A N -0.273 122.384 122.820 -0.272 0.000 2.044 129 A HA 0.079 4.399 4.320 0.001 0.000 0.213 129 A C 2.067 179.437 177.584 -0.357 0.000 1.169 129 A CA 0.487 52.342 52.037 -0.304 0.000 0.724 129 A CB -0.252 18.611 19.000 -0.229 0.000 0.840 129 A HN 0.390 nan 8.150 nan 0.000 0.463 130 M N -0.280 119.107 119.600 -0.355 0.000 2.099 130 M HA -0.086 4.395 4.480 0.001 0.000 0.262 130 M C 2.555 178.501 176.300 -0.591 0.000 1.067 130 M CA 1.451 56.507 55.300 -0.406 0.000 1.124 130 M CB -0.416 31.862 32.600 -0.536 0.000 1.353 130 M HN 0.440 nan 8.290 nan 0.000 0.410 131 A N -0.094 122.265 122.820 -0.769 0.000 1.883 131 A HA -0.232 4.088 4.320 0.001 0.000 0.217 131 A C 2.163 179.112 177.584 -1.058 0.000 1.186 131 A CA 1.753 53.115 52.037 -1.125 0.000 0.624 131 A CB -0.880 17.260 19.000 -1.434 0.000 0.822 131 A HN 0.518 nan 8.150 nan 0.000 0.444 132 Q N -0.077 119.072 119.800 -1.084 0.000 2.061 132 Q HA -0.184 4.156 4.340 0.001 0.000 0.204 132 Q C 2.263 178.022 176.000 -0.401 0.000 0.984 132 Q CA 2.103 57.450 55.803 -0.760 0.000 0.846 132 Q CB -0.569 27.861 28.738 -0.513 0.000 0.902 132 Q HN 0.562 nan 8.270 nan 0.000 0.421 133 A N 1.571 124.161 122.820 -0.383 0.000 1.940 133 A HA -0.218 4.102 4.320 0.001 0.000 0.219 133 A C 1.980 179.502 177.584 -0.103 0.000 1.176 133 A CA 1.794 53.611 52.037 -0.365 0.000 0.631 133 A CB -0.783 17.849 19.000 -0.612 0.000 0.814 133 A HN 0.576 nan 8.150 nan 0.000 0.446 134 N N -0.353 118.361 118.700 0.024 0.000 2.173 134 N HA -0.089 4.651 4.740 0.001 0.000 0.184 134 N C 1.774 177.390 175.510 0.177 0.000 1.025 134 N CA 1.413 54.578 53.050 0.191 0.000 0.852 134 N CB -0.230 38.367 38.487 0.184 0.000 0.998 134 N HN 0.342 nan 8.380 nan 0.000 0.427 135 L N 1.626 122.952 121.223 0.171 0.000 2.042 135 L HA -0.070 4.270 4.340 0.001 0.000 0.210 135 L C 2.452 179.477 176.870 0.259 0.000 1.076 135 L CA 1.842 56.873 54.840 0.318 0.000 0.749 135 L CB -0.723 41.512 42.059 0.293 0.000 0.893 135 L HN 0.199 nan 8.230 nan 0.000 0.432 136 A N -0.699 122.178 122.820 0.095 0.000 1.877 136 A HA -0.157 4.163 4.320 0.001 0.000 0.216 136 A C 2.397 180.014 177.584 0.054 0.000 1.186 136 A CA 1.843 53.913 52.037 0.054 0.000 0.620 136 A CB -1.158 17.817 19.000 -0.042 0.000 0.822 136 A HN 0.525 nan 8.150 nan 0.000 0.443 137 A N -1.453 121.393 122.820 0.044 0.000 2.066 137 A HA 0.025 4.346 4.320 0.001 0.000 0.218 137 A C 2.152 179.729 177.584 -0.011 0.000 1.157 137 A CA 2.018 54.077 52.037 0.036 0.000 0.670 137 A CB -0.757 18.291 19.000 0.080 0.000 0.804 137 A HN 0.438 nan 8.150 nan 0.000 0.453 138 T N -2.205 112.325 114.554 -0.041 0.000 3.009 138 T HA 0.084 4.435 4.350 0.001 0.000 0.258 138 T C 1.196 175.555 174.700 -0.568 0.000 1.063 138 T CA 1.216 63.135 62.100 -0.301 0.000 1.139 138 T CB -0.204 68.454 68.868 -0.351 0.000 0.890 138 T HN 0.616 nan 8.240 nan 0.000 0.471 139 Y N 0.066 120.384 120.300 0.030 0.000 2.512 139 Y HA 0.393 4.943 4.550 0.001 0.000 0.268 139 Y C 0.829 176.717 175.900 -0.020 0.000 1.102 139 Y CA -1.068 57.046 58.100 0.023 0.000 1.261 139 Y CB -0.041 38.411 38.460 -0.013 0.000 1.250 139 Y HN -0.024 nan 8.280 nan 0.000 0.506 140 N N 2.211 120.973 118.700 0.103 0.000 2.395 140 N HA 0.121 4.862 4.740 0.001 0.000 0.246 140 N C -0.389 175.160 175.510 0.065 0.000 1.246 140 N CA 0.517 53.613 53.050 0.076 0.000 0.879 140 N CB 0.489 39.014 38.487 0.064 0.000 1.098 140 N HN 0.071 nan 8.380 nan 0.000 0.444 141 K N 0.808 121.284 120.400 0.126 0.000 2.512 141 K HA 0.481 4.802 4.320 0.001 0.000 0.263 141 K C -2.697 174.039 176.600 0.226 0.000 0.966 141 K CA -1.782 54.566 56.287 0.102 0.000 0.851 141 K CB 1.698 34.132 32.500 -0.110 0.000 1.395 141 K HN 0.269 nan 8.250 nan 0.000 0.440 142 P HA 0.081 nan 4.420 nan 0.000 0.266 142 P C 0.278 177.727 177.300 0.247 0.000 1.215 142 P CA 0.797 64.007 63.100 0.183 0.000 0.763 142 P CB 0.628 32.418 31.700 0.150 0.000 0.806 143 G N 3.082 111.951 108.800 0.116 0.000 2.279 143 G HA2 -0.224 3.736 3.960 0.001 0.000 0.223 143 G HA3 -0.224 3.736 3.960 0.001 0.000 0.223 143 G C -0.246 174.457 174.900 -0.329 0.000 1.015 143 G CA -0.505 44.543 45.100 -0.086 0.000 0.621 143 G HN 0.430 nan 8.290 nan 0.000 0.506 144 F N 2.603 122.644 119.950 0.152 0.000 2.359 144 F HA 0.548 5.075 4.527 0.000 0.000 0.370 144 F C 0.364 176.191 175.800 0.044 0.000 1.077 144 F CA -0.465 57.612 58.000 0.129 0.000 1.136 144 F CB 1.791 40.970 39.000 0.298 0.000 1.387 144 F HN -0.098 nan 8.300 nan 0.000 0.468 145 T N 4.699 119.324 114.554 0.118 0.000 3.364 145 T HA 0.231 4.581 4.350 0.001 0.000 0.323 145 T C 1.628 176.406 174.700 0.129 0.000 1.323 145 T CA -0.055 62.106 62.100 0.102 0.000 1.073 145 T CB -0.016 68.900 68.868 0.079 0.000 1.150 145 T HN 0.488 nan 8.240 nan 0.000 0.727 146 L N 0.819 122.099 121.223 0.094 0.000 2.240 146 L HA 0.125 4.465 4.340 0.001 0.000 0.211 146 L C 1.465 178.549 176.870 0.356 0.000 1.106 146 L CA 0.614 55.560 54.840 0.178 0.000 0.793 146 L CB 0.091 42.093 42.059 -0.095 0.000 0.927 146 L HN 0.391 nan 8.230 nan 0.000 0.446 147 S N -0.133 115.665 115.700 0.164 0.000 2.605 147 S HA 0.379 4.849 4.470 0.001 0.000 0.308 147 S C -0.698 173.902 174.600 0.001 0.000 1.113 147 S CA -0.662 57.590 58.200 0.087 0.000 1.049 147 S CB 1.007 64.254 63.200 0.078 0.000 1.001 147 S HN 0.416 nan 8.310 nan 0.000 0.480 148 D N 2.343 122.706 120.400 -0.062 0.000 2.601 148 D HA -0.004 4.636 4.640 0.001 0.000 0.350 148 D C 0.076 176.217 176.300 -0.266 0.000 1.386 148 D CA -0.389 53.520 54.000 -0.153 0.000 0.929 148 D CB -1.026 39.729 40.800 -0.075 0.000 1.456 148 D HN 0.552 nan 8.370 nan 0.000 0.430 149 N N 0.432 118.993 118.700 -0.232 0.000 2.297 149 N HA -0.018 4.722 4.740 0.001 0.000 0.232 149 N C -0.741 174.562 175.510 -0.345 0.000 1.311 149 N CA 0.352 53.264 53.050 -0.230 0.000 0.897 149 N CB 0.757 39.105 38.487 -0.231 0.000 1.137 149 N HN 0.026 nan 8.380 nan 0.000 0.449 150 Y N -1.370 118.784 120.300 -0.244 0.000 2.567 150 Y HA 0.338 4.889 4.550 0.000 0.000 0.333 150 Y C 0.281 175.894 175.900 -0.479 0.000 1.106 150 Y CA -0.611 57.249 58.100 -0.400 0.000 1.157 150 Y CB 2.131 40.243 38.460 -0.581 0.000 1.277 150 Y HN 0.402 nan 8.280 nan 0.000 0.490 151 T N 1.933 116.285 114.554 -0.336 0.000 2.809 151 T HA 0.422 4.773 4.350 0.001 0.000 0.284 151 T C -1.543 172.980 174.700 -0.296 0.000 0.992 151 T CA -0.667 61.280 62.100 -0.256 0.000 0.957 151 T CB -0.064 68.718 68.868 -0.144 0.000 0.942 151 T HN 0.244 nan 8.240 nan 0.000 0.439 152 Y N 1.612 121.959 120.300 0.079 0.000 2.377 152 Y HA 0.652 5.202 4.550 0.001 0.000 0.339 152 Y C 0.077 176.037 175.900 0.100 0.000 1.011 152 Y CA -1.039 57.147 58.100 0.143 0.000 1.093 152 Y CB 1.346 39.926 38.460 0.201 0.000 1.201 152 Y HN 0.317 nan 8.280 nan 0.000 0.455 153 V N 3.423 123.528 119.914 0.319 0.000 2.823 153 V HA 0.468 4.588 4.120 0.001 0.000 0.312 153 V C -1.115 175.254 176.094 0.459 0.000 1.072 153 V CA -1.092 61.321 62.300 0.188 0.000 0.937 153 V CB 2.197 34.108 31.823 0.146 0.000 1.013 153 V HN 0.422 nan 8.190 nan 0.000 0.430 154 F N 4.627 124.582 119.950 0.008 0.000 2.493 154 F HA 0.833 5.360 4.527 0.001 0.000 0.329 154 F C -0.175 175.641 175.800 0.027 0.000 1.126 154 F CA -1.222 56.834 58.000 0.092 0.000 0.937 154 F CB 1.779 40.867 39.000 0.147 0.000 1.146 154 F HN 0.499 nan 8.300 nan 0.000 0.442 155 L N 1.286 122.603 121.223 0.157 0.000 2.409 155 L HA 1.126 5.466 4.340 0.001 0.000 0.255 155 L C -0.443 176.504 176.870 0.129 0.000 1.027 155 L CA -0.776 54.120 54.840 0.093 0.000 0.834 155 L CB 2.174 44.254 42.059 0.034 0.000 1.426 155 L HN 0.592 nan 8.230 nan 0.000 0.411 156 G N -0.299 108.570 108.800 0.115 0.000 3.075 156 G HA2 0.311 4.271 3.960 0.001 0.000 0.253 156 G HA3 0.311 4.271 3.960 0.001 0.000 0.253 156 G C -0.262 174.727 174.900 0.150 0.000 1.353 156 G CA -0.079 45.143 45.100 0.204 0.000 1.051 156 G HN 0.773 nan 8.290 nan 0.000 0.553 157 D N -0.106 120.425 120.400 0.217 0.000 2.144 157 D HA -0.113 4.527 4.640 0.001 0.000 0.199 157 D C 2.433 178.642 176.300 -0.151 0.000 0.984 157 D CA 1.486 55.544 54.000 0.098 0.000 0.834 157 D CB -0.181 40.721 40.800 0.171 0.000 0.955 157 D HN 0.431 nan 8.370 nan 0.000 0.465 158 G N 1.105 109.867 108.800 -0.064 0.000 2.446 158 G HA2 -0.299 3.661 3.960 0.001 0.000 0.217 158 G HA3 -0.299 3.661 3.960 0.001 0.000 0.217 158 G C 1.950 176.787 174.900 -0.106 0.000 1.168 158 G CA 0.982 46.024 45.100 -0.097 0.000 0.771 158 G HN 0.303 nan 8.290 nan 0.000 0.551 159 C N 0.344 119.610 119.300 -0.057 0.000 2.413 159 C HA 0.031 4.492 4.460 0.001 0.000 0.276 159 C C 2.845 177.778 174.990 -0.096 0.000 1.248 159 C CA 0.586 59.567 59.018 -0.062 0.000 1.742 159 C CB -1.119 26.600 27.740 -0.035 0.000 2.017 159 C HN 0.422 nan 8.230 nan 0.000 0.481 160 L N 0.159 121.299 121.223 -0.138 0.000 2.456 160 L HA -0.153 4.187 4.340 0.001 0.000 0.224 160 L C 2.537 179.337 176.870 -0.116 0.000 1.148 160 L CA 1.148 55.926 54.840 -0.104 0.000 0.825 160 L CB -0.597 41.388 42.059 -0.123 0.000 0.937 160 L HN 0.515 nan 8.230 nan 0.000 0.450 161 Q N -0.808 118.840 119.800 -0.253 0.000 2.339 161 Q HA 0.031 4.371 4.340 0.001 0.000 0.205 161 Q C 0.202 176.125 176.000 -0.130 0.000 0.925 161 Q CA 0.071 55.710 55.803 -0.272 0.000 0.898 161 Q CB 0.593 29.064 28.738 -0.444 0.000 1.013 161 Q HN 0.282 nan 8.270 nan 0.000 0.504 162 E N 0.655 120.789 120.200 -0.109 0.000 2.265 162 E HA 0.002 4.352 4.350 0.001 0.000 0.272 162 E C 0.851 177.413 176.600 -0.064 0.000 1.067 162 E CA 0.087 56.440 56.400 -0.078 0.000 0.900 162 E CB 1.067 30.718 29.700 -0.080 0.000 1.017 162 E HN 0.365 nan 8.360 nan 0.000 0.431 163 G N 4.596 113.371 108.800 -0.042 0.000 2.545 163 G HA2 -0.320 3.641 3.960 0.001 0.000 0.222 163 G HA3 -0.320 3.641 3.960 0.001 0.000 0.222 163 G C 1.417 176.287 174.900 -0.051 0.000 1.126 163 G CA 0.637 45.720 45.100 -0.028 0.000 0.754 163 G HN 0.653 nan 8.290 nan 0.000 0.583 164 I N 1.534 122.046 120.570 -0.097 0.000 2.248 164 I HA -0.266 3.904 4.170 0.001 0.000 0.248 164 I C 2.891 178.934 176.117 -0.123 0.000 1.107 164 I CA 2.124 63.324 61.300 -0.168 0.000 1.373 164 I CB -0.127 37.603 38.000 -0.450 0.000 1.055 164 I HN 0.343 nan 8.210 nan 0.000 0.418 165 S N -0.591 115.050 115.700 -0.099 0.000 2.481 165 S HA -0.063 4.408 4.470 0.001 0.000 0.231 165 S C 1.855 176.397 174.600 -0.097 0.000 0.996 165 S CA 1.009 59.167 58.200 -0.070 0.000 0.942 165 S CB -0.208 62.967 63.200 -0.042 0.000 0.768 165 S HN 0.478 nan 8.310 nan 0.000 0.520 166 S N 2.238 117.879 115.700 -0.098 0.000 2.362 166 S HA -0.015 4.456 4.470 0.001 0.000 0.221 166 S C 1.841 176.291 174.600 -0.251 0.000 1.032 166 S CA 1.021 59.130 58.200 -0.151 0.000 0.973 166 S CB -0.309 62.871 63.200 -0.033 0.000 0.849 166 S HN 0.669 nan 8.310 nan 0.000 0.465 167 E N 1.850 121.967 120.200 -0.138 0.000 2.058 167 E HA -0.124 4.226 4.350 0.001 0.000 0.194 167 E C 2.385 178.907 176.600 -0.130 0.000 0.997 167 E CA 1.113 57.444 56.400 -0.114 0.000 0.801 167 E CB -0.334 29.344 29.700 -0.037 0.000 0.746 167 E HN 0.481 nan 8.360 nan 0.000 0.450 168 A N 1.138 123.900 122.820 -0.096 0.000 1.851 168 A HA -0.237 4.083 4.320 0.001 0.000 0.216 168 A C 2.394 179.955 177.584 -0.039 0.000 1.195 168 A CA 2.011 54.024 52.037 -0.040 0.000 0.622 168 A CB -0.775 18.218 19.000 -0.013 0.000 0.831 168 A HN 0.157 nan 8.150 nan 0.000 0.444 169 S N -0.505 115.110 115.700 -0.142 0.000 2.383 169 S HA -0.157 4.313 4.470 0.001 0.000 0.229 169 S C 2.312 176.666 174.600 -0.411 0.000 1.030 169 S CA 1.420 59.504 58.200 -0.192 0.000 1.002 169 S CB -0.392 62.411 63.200 -0.661 0.000 0.829 169 S HN 0.667 nan 8.310 nan 0.000 0.467 170 S N 1.001 116.245 115.700 -0.760 0.000 2.356 170 S HA -0.064 4.406 4.470 0.001 0.000 0.223 170 S C 1.800 176.329 174.600 -0.119 0.000 1.032 170 S CA 0.989 58.826 58.200 -0.606 0.000 1.005 170 S CB -0.404 62.540 63.200 -0.428 0.000 0.867 170 S HN 0.348 nan 8.310 nan 0.000 0.449 171 L N 1.707 122.889 121.223 -0.068 0.000 2.141 171 L HA 0.166 4.506 4.340 0.001 0.000 0.209 171 L C 2.404 179.333 176.870 0.098 0.000 1.094 171 L CA 1.890 56.744 54.840 0.023 0.000 0.763 171 L CB -1.243 40.819 42.059 0.003 0.000 0.908 171 L HN 0.330 nan 8.230 nan 0.000 0.437 172 A N -0.892 122.002 122.820 0.124 0.000 1.969 172 A HA -0.019 4.301 4.320 0.001 0.000 0.218 172 A C 2.311 179.901 177.584 0.010 0.000 1.169 172 A CA 1.344 53.437 52.037 0.093 0.000 0.635 172 A CB -1.290 17.830 19.000 0.201 0.000 0.810 172 A HN 0.488 nan 8.150 nan 0.000 0.445 173 G N -1.302 107.622 108.800 0.206 0.000 2.403 173 G HA2 -0.206 3.755 3.960 0.001 0.000 0.216 173 G HA3 -0.206 3.755 3.960 0.001 0.000 0.216 173 G C 1.452 176.413 174.900 0.102 0.000 1.154 173 G CA 1.274 46.475 45.100 0.169 0.000 0.784 173 G HN 0.781 nan 8.290 nan 0.000 0.538 174 H N 0.443 119.535 119.070 0.037 0.000 2.326 174 H HA 0.132 4.689 4.556 0.001 0.000 0.301 174 H C 2.252 177.562 175.328 -0.031 0.000 1.081 174 H CA 1.119 57.167 56.048 0.000 0.000 1.334 174 H CB -0.243 29.511 29.762 -0.012 0.000 1.385 174 H HN 0.240 nan 8.280 nan 0.000 0.504 175 L N 0.447 121.668 121.223 -0.003 0.000 2.551 175 L HA -0.024 4.316 4.340 0.001 0.000 0.228 175 L C 0.468 177.309 176.870 -0.049 0.000 1.153 175 L CA 0.618 55.432 54.840 -0.044 0.000 0.851 175 L CB -0.237 41.916 42.059 0.157 0.000 0.959 175 L HN 0.312 nan 8.230 nan 0.000 0.451 176 K N 0.833 121.175 120.400 -0.097 0.000 3.257 176 K HA -0.177 4.143 4.320 0.001 0.000 0.270 176 K C -0.297 176.256 176.600 -0.078 0.000 0.984 176 K CA 0.224 56.452 56.287 -0.098 0.000 0.739 176 K CB -1.742 30.701 32.500 -0.095 0.000 1.351 176 K HN 0.311 nan 8.250 nan 0.000 0.463 177 L N 0.658 121.785 121.223 -0.160 0.000 2.382 177 L HA 0.030 4.370 4.340 0.001 0.000 0.259 177 L C 2.005 178.733 176.870 -0.236 0.000 1.291 177 L CA 0.173 54.891 54.840 -0.204 0.000 1.176 177 L CB -0.033 41.895 42.059 -0.219 0.000 1.373 177 L HN 0.493 nan 8.230 nan 0.000 0.426 178 G N 1.464 110.161 108.800 -0.172 0.000 2.475 178 G HA2 -0.286 3.674 3.960 0.001 0.000 0.220 178 G HA3 -0.286 3.674 3.960 0.001 0.000 0.220 178 G C 1.237 176.085 174.900 -0.087 0.000 1.125 178 G CA 0.499 45.525 45.100 -0.124 0.000 0.755 178 G HN 0.526 nan 8.290 nan 0.000 0.565 179 N N -0.553 118.055 118.700 -0.154 0.000 2.461 179 N HA 0.096 4.836 4.740 0.001 0.000 0.188 179 N C 0.128 175.605 175.510 -0.055 0.000 1.134 179 N CA -0.104 52.877 53.050 -0.114 0.000 0.878 179 N CB 0.126 38.345 38.487 -0.447 0.000 0.972 179 N HN 0.314 nan 8.380 nan 0.000 0.456 180 L N 1.260 122.403 121.223 -0.134 0.000 2.255 180 L HA 0.460 4.801 4.340 0.001 0.000 0.289 180 L C -0.878 175.951 176.870 -0.069 0.000 1.046 180 L CA -0.125 54.635 54.840 -0.134 0.000 0.816 180 L CB 0.302 42.243 42.059 -0.196 0.000 1.197 180 L HN -0.042 nan 8.230 nan 0.000 0.427 181 I N 5.925 126.499 120.570 0.008 0.000 2.411 181 I HA 0.546 4.717 4.170 0.001 0.000 0.284 181 I C -0.109 176.158 176.117 0.251 0.000 1.012 181 I CA -0.536 60.845 61.300 0.134 0.000 1.119 181 I CB 1.606 39.708 38.000 0.170 0.000 1.261 181 I HN 0.757 nan 8.210 nan 0.000 0.448 182 A N 7.995 130.990 122.820 0.291 0.000 2.276 182 A HA 0.769 5.089 4.320 0.001 0.000 0.316 182 A C -0.443 177.281 177.584 0.234 0.000 1.229 182 A CA -0.427 51.786 52.037 0.293 0.000 0.851 182 A CB 0.530 19.724 19.000 0.324 0.000 1.165 182 A HN 0.691 nan 8.150 nan 0.000 0.513 183 I N 3.115 123.838 120.570 0.256 0.000 2.339 183 I HA 0.194 4.364 4.170 0.001 0.000 0.290 183 I C -0.929 175.245 176.117 0.095 0.000 0.994 183 I CA -0.544 60.847 61.300 0.152 0.000 1.191 183 I CB 1.215 39.306 38.000 0.152 0.000 1.343 183 I HN 0.727 nan 8.210 nan 0.000 0.458 184 Y N 6.268 126.512 120.300 -0.093 0.000 2.328 184 Y HA 0.263 4.813 4.550 0.001 0.000 0.337 184 Y C -0.077 175.750 175.900 -0.121 0.000 1.008 184 Y CA -1.584 56.453 58.100 -0.107 0.000 1.129 184 Y CB 0.986 39.373 38.460 -0.121 0.000 1.185 184 Y HN 0.484 nan 8.280 nan 0.000 0.476 185 D N 4.657 125.088 120.400 0.050 0.000 2.498 185 D HA 0.015 4.655 4.640 0.001 0.000 0.229 185 D C -0.746 175.344 176.300 -0.349 0.000 1.188 185 D CA 0.105 54.015 54.000 -0.151 0.000 1.028 185 D CB -0.419 40.363 40.800 -0.030 0.000 1.087 185 D HN 0.522 nan 8.370 nan 0.000 0.510 186 D N 2.235 122.208 120.400 -0.713 0.000 2.545 186 D HA -0.040 4.601 4.640 0.001 0.000 0.227 186 D C 0.726 176.867 176.300 -0.264 0.000 1.150 186 D CA -0.209 53.340 54.000 -0.752 0.000 1.046 186 D CB -0.329 40.020 40.800 -0.751 0.000 1.098 186 D HN 0.327 nan 8.370 nan 0.000 0.502 187 N N 1.613 120.247 118.700 -0.111 0.000 2.236 187 N HA -0.028 4.712 4.740 0.001 0.000 0.196 187 N C 0.338 175.861 175.510 0.023 0.000 1.114 187 N CA -0.199 52.835 53.050 -0.025 0.000 0.859 187 N CB 0.206 38.700 38.487 0.013 0.000 0.982 187 N HN 0.035 nan 8.380 nan 0.000 0.493 188 K N -0.861 119.569 120.400 0.049 0.000 3.341 188 K HA -0.084 4.237 4.320 0.001 0.000 0.305 188 K C -1.103 175.551 176.600 0.091 0.000 1.270 188 K CA 0.757 57.089 56.287 0.075 0.000 0.897 188 K CB -1.237 31.285 32.500 0.036 0.000 1.264 188 K HN 0.381 nan 8.250 nan 0.000 0.468 189 I N -0.524 120.112 120.570 0.109 0.000 2.827 189 I HA 0.451 4.621 4.170 0.001 0.000 0.298 189 I C 0.571 176.761 176.117 0.122 0.000 1.235 189 I CA -0.406 60.960 61.300 0.109 0.000 1.021 189 I CB 2.155 40.216 38.000 0.102 0.000 1.259 189 I HN 0.204 nan 8.210 nan 0.000 0.427 190 T N 0.244 114.869 114.554 0.117 0.000 2.654 190 T HA 0.615 4.966 4.350 0.001 0.000 0.289 190 T C 1.208 175.966 174.700 0.096 0.000 1.062 190 T CA -0.667 61.484 62.100 0.085 0.000 1.041 190 T CB 1.272 70.170 68.868 0.051 0.000 1.417 190 T HN 0.344 nan 8.240 nan 0.000 0.510 191 I N 0.598 121.194 120.570 0.043 0.000 2.163 191 I HA -0.144 4.027 4.170 0.001 0.000 0.243 191 I C 1.660 177.814 176.117 0.062 0.000 1.085 191 I CA 1.718 63.029 61.300 0.018 0.000 1.347 191 I CB -0.406 37.579 38.000 -0.024 0.000 1.044 191 I HN 0.638 nan 8.210 nan 0.000 0.408 192 D N 0.456 120.903 120.400 0.078 0.000 2.378 192 D HA 0.118 4.758 4.640 0.001 0.000 0.227 192 D C 0.984 177.401 176.300 0.194 0.000 1.012 192 D CA 1.014 55.077 54.000 0.105 0.000 0.905 192 D CB 0.189 41.025 40.800 0.061 0.000 0.895 192 D HN 0.578 nan 8.370 nan 0.000 0.532 193 G N -0.209 108.752 108.800 0.269 0.000 2.390 193 G HA2 0.092 4.052 3.960 0.001 0.000 0.202 193 G HA3 0.092 4.052 3.960 0.001 0.000 0.202 193 G C -0.604 174.341 174.900 0.073 0.000 1.210 193 G CA -0.238 44.964 45.100 0.169 0.000 1.271 193 G HN 0.403 nan 8.290 nan 0.000 0.543 194 A N 0.130 122.967 122.820 0.028 0.000 2.340 194 A HA 0.656 4.976 4.320 0.001 0.000 0.268 194 A C 1.715 179.350 177.584 0.085 0.000 1.100 194 A CA 1.312 53.375 52.037 0.043 0.000 0.803 194 A CB 0.544 19.553 19.000 0.015 0.000 1.043 194 A HN 2.053 nan 8.150 nan 0.000 0.488 195 T N -0.444 114.182 114.554 0.118 0.000 2.833 195 T HA -0.182 4.169 4.350 0.001 0.000 0.269 195 T C 1.746 176.544 174.700 0.164 0.000 1.054 195 T CA 1.723 63.941 62.100 0.195 0.000 1.135 195 T CB -0.800 68.236 68.868 0.280 0.000 0.869 195 T HN 1.086 nan 8.240 nan 0.000 0.466 196 S N 1.323 117.079 115.700 0.092 0.000 2.493 196 S HA -0.026 4.445 4.470 0.001 0.000 0.243 196 S C 1.704 176.341 174.600 0.063 0.000 0.991 196 S CA 0.426 58.661 58.200 0.059 0.000 0.957 196 S CB -0.793 62.425 63.200 0.029 0.000 0.756 196 S HN 0.351 nan 8.310 nan 0.000 0.521 197 I N 1.995 122.609 120.570 0.073 0.000 2.928 197 I HA 0.041 4.212 4.170 0.001 0.000 0.266 197 I C 1.741 177.903 176.117 0.074 0.000 1.234 197 I CA 0.681 62.018 61.300 0.062 0.000 1.483 197 I CB -0.133 37.900 38.000 0.055 0.000 1.097 197 I HN 0.634 nan 8.210 nan 0.000 0.455 198 S N -2.403 113.365 115.700 0.113 0.000 2.775 198 S HA 0.186 4.657 4.470 0.001 0.000 0.227 198 S C -0.077 174.666 174.600 0.237 0.000 0.845 198 S CA -0.485 57.790 58.200 0.126 0.000 1.407 198 S CB -0.725 62.528 63.200 0.088 0.000 1.259 198 S HN 0.021 nan 8.310 nan 0.000 0.612 199 F N 3.626 123.592 119.950 0.027 0.000 3.228 199 F HA 0.469 4.996 4.527 0.000 0.000 0.390 199 F C -1.153 174.669 175.800 0.036 0.000 1.235 199 F CA -1.305 56.714 58.000 0.032 0.000 1.236 199 F CB 1.311 40.336 39.000 0.042 0.000 1.855 199 F HN 0.196 nan 8.300 nan 0.000 0.647 200 D N 1.353 121.689 120.400 -0.106 0.000 2.563 200 D HA 0.070 4.711 4.640 0.001 0.000 0.237 200 D C 0.248 176.425 176.300 -0.204 0.000 1.282 200 D CA -0.144 53.759 54.000 -0.163 0.000 0.816 200 D CB -0.315 40.453 40.800 -0.053 0.000 1.066 200 D HN 0.619 nan 8.370 nan 0.000 0.501 201 E N 0.084 120.111 120.200 -0.288 0.000 2.428 201 E HA 0.053 4.403 4.350 0.001 0.000 0.257 201 E C -0.442 176.035 176.600 -0.205 0.000 1.197 201 E CA -0.447 55.833 56.400 -0.200 0.000 0.974 201 E CB 0.516 30.129 29.700 -0.145 0.000 0.976 201 E HN -0.206 nan 8.360 nan 0.000 0.463 202 D N 1.597 121.931 120.400 -0.110 0.000 2.468 202 D HA 0.080 4.720 4.640 0.001 0.000 0.218 202 D C 0.660 176.932 176.300 -0.046 0.000 1.155 202 D CA -0.363 53.599 54.000 -0.064 0.000 0.924 202 D CB 0.996 41.776 40.800 -0.034 0.000 1.029 202 D HN 0.369 nan 8.370 nan 0.000 0.515 203 V N 3.617 123.505 119.914 -0.044 0.000 2.255 203 V HA -0.282 3.839 4.120 0.001 0.000 0.247 203 V C 2.508 178.642 176.094 0.066 0.000 1.051 203 V CA 2.208 64.520 62.300 0.021 0.000 1.018 203 V CB -0.713 31.124 31.823 0.024 0.000 0.641 203 V HN 0.627 nan 8.190 nan 0.000 0.445 204 A N -0.430 122.415 122.820 0.042 0.000 1.908 204 A HA -0.303 4.017 4.320 0.001 0.000 0.218 204 A C 2.363 179.977 177.584 0.049 0.000 1.181 204 A CA 2.370 54.423 52.037 0.028 0.000 0.627 204 A CB -0.538 18.482 19.000 0.034 0.000 0.818 204 A HN 0.538 nan 8.150 nan 0.000 0.445 205 K N -0.575 119.843 120.400 0.029 0.000 2.097 205 K HA -0.146 4.174 4.320 0.001 0.000 0.205 205 K C 2.311 178.854 176.600 -0.094 0.000 1.050 205 K CA 1.411 57.693 56.287 -0.009 0.000 0.938 205 K CB -0.156 32.337 32.500 -0.011 0.000 0.718 205 K HN 0.466 nan 8.250 nan 0.000 0.442 206 R N -0.740 119.680 120.500 -0.133 0.000 2.115 206 R HA -0.135 4.206 4.340 0.001 0.000 0.230 206 R C 1.701 177.600 176.300 -0.668 0.000 1.111 206 R CA 1.289 57.180 56.100 -0.349 0.000 0.976 206 R CB -0.200 29.929 30.300 -0.284 0.000 0.870 206 R HN 0.215 nan 8.270 nan 0.000 0.445 207 Y N 0.938 120.985 120.300 -0.420 0.000 2.314 207 Y HA -0.033 4.517 4.550 0.001 0.000 0.293 207 Y C 1.907 177.725 175.900 -0.136 0.000 1.129 207 Y CA 1.444 59.320 58.100 -0.372 0.000 1.201 207 Y CB 0.206 38.501 38.460 -0.275 0.000 0.999 207 Y HN 0.188 nan 8.280 nan 0.000 0.541 208 E N -0.564 119.648 120.200 0.020 0.000 2.150 208 E HA -0.153 4.197 4.350 0.001 0.000 0.193 208 E C 2.287 178.905 176.600 0.030 0.000 0.985 208 E CA 0.771 57.220 56.400 0.080 0.000 0.814 208 E CB -0.193 29.543 29.700 0.060 0.000 0.752 208 E HN 0.422 nan 8.360 nan 0.000 0.466 209 A N 0.547 123.299 122.820 -0.112 0.000 2.070 209 A HA -0.157 4.163 4.320 0.001 0.000 0.220 209 A C 1.341 178.915 177.584 -0.017 0.000 1.159 209 A CA 1.005 52.974 52.037 -0.114 0.000 0.656 209 A CB -0.433 18.435 19.000 -0.221 0.000 0.800 209 A HN 0.232 nan 8.150 nan 0.000 0.453 210 Y N -1.100 119.213 120.300 0.022 0.000 2.523 210 Y HA 0.326 4.877 4.550 0.000 0.000 0.279 210 Y C 1.881 177.923 175.900 0.237 0.000 1.139 210 Y CA -0.121 58.033 58.100 0.091 0.000 1.296 210 Y CB -0.382 38.084 38.460 0.011 0.000 1.045 210 Y HN 0.440 nan 8.280 nan 0.000 0.538 211 G N -1.827 107.186 108.800 0.355 0.000 2.141 211 G HA2 -0.231 3.729 3.960 0.001 0.000 0.195 211 G HA3 -0.231 3.729 3.960 0.001 0.000 0.195 211 G C -0.431 174.658 174.900 0.314 0.000 1.012 211 G CA -0.505 44.753 45.100 0.262 0.000 0.696 211 G HN 0.159 nan 8.290 nan 0.000 0.508 212 W N 0.493 121.878 121.300 0.140 0.000 2.436 212 W HA 0.662 5.322 4.660 0.001 0.000 0.347 212 W C 0.559 177.147 176.519 0.116 0.000 1.136 212 W CA -0.853 56.590 57.345 0.163 0.000 1.286 212 W CB 0.850 30.496 29.460 0.310 0.000 1.253 212 W HN 0.260 nan 8.180 nan 0.000 0.617 213 E N 0.960 121.349 120.200 0.316 0.000 2.231 213 E HA 0.508 4.858 4.350 0.001 0.000 0.277 213 E C -1.512 175.201 176.600 0.189 0.000 0.999 213 E CA -0.419 56.096 56.400 0.191 0.000 0.827 213 E CB 1.231 31.002 29.700 0.117 0.000 1.101 213 E HN 0.229 nan 8.360 nan 0.000 0.393 214 V N 6.021 125.986 119.914 0.086 0.000 2.444 214 V HA 0.347 4.467 4.120 0.001 0.000 0.294 214 V C -0.167 175.827 176.094 -0.167 0.000 1.022 214 V CA -0.693 61.569 62.300 -0.064 0.000 0.850 214 V CB 1.131 32.857 31.823 -0.162 0.000 0.992 214 V HN 0.655 nan 8.190 nan 0.000 0.426 215 L N 4.727 125.847 121.223 -0.172 0.000 2.334 215 L HA 0.659 4.999 4.340 0.001 0.000 0.273 215 L C -1.143 175.596 176.870 -0.218 0.000 1.013 215 L CA -0.764 54.019 54.840 -0.095 0.000 0.816 215 L CB 1.888 43.955 42.059 0.013 0.000 1.278 215 L HN 0.504 nan 8.230 nan 0.000 0.431 216 Y N 0.679 120.994 120.300 0.024 0.000 2.468 216 Y HA 0.579 5.129 4.550 0.000 0.000 0.342 216 Y C -0.183 175.712 175.900 -0.008 0.000 1.021 216 Y CA -0.873 57.228 58.100 0.002 0.000 1.079 216 Y CB 2.219 40.678 38.460 -0.002 0.000 1.226 216 Y HN 0.070 nan 8.280 nan 0.000 0.460 217 V N 2.631 122.620 119.914 0.125 0.000 2.439 217 V HA 0.105 4.225 4.120 0.001 0.000 0.277 217 V C 0.496 176.604 176.094 0.023 0.000 1.008 217 V CA -0.836 61.494 62.300 0.049 0.000 0.846 217 V CB 1.192 33.017 31.823 0.002 0.000 1.031 217 V HN 0.959 nan 8.190 nan 0.000 0.441 218 E N 3.177 123.391 120.200 0.023 0.000 2.153 218 E HA -0.167 4.183 4.350 0.001 0.000 0.194 218 E C 0.961 177.543 176.600 -0.031 0.000 0.988 218 E CA 1.253 57.649 56.400 -0.005 0.000 0.811 218 E CB 0.203 29.895 29.700 -0.014 0.000 0.746 218 E HN 0.557 nan 8.360 nan 0.000 0.466 219 N N 0.344 119.021 118.700 -0.037 0.000 3.112 219 N HA 0.143 4.883 4.740 0.001 0.000 0.270 219 N C 0.311 175.765 175.510 -0.093 0.000 1.385 219 N CA 0.193 53.207 53.050 -0.060 0.000 0.986 219 N CB 0.969 39.428 38.487 -0.047 0.000 1.261 219 N HN 0.274 nan 8.380 nan 0.000 0.495 220 G N 1.260 109.992 108.800 -0.113 0.000 2.534 220 G HA2 -0.179 3.781 3.960 0.001 0.000 0.217 220 G HA3 -0.179 3.781 3.960 0.001 0.000 0.217 220 G C 1.340 176.114 174.900 -0.210 0.000 1.128 220 G CA 0.122 45.134 45.100 -0.146 0.000 0.784 220 G HN 0.413 nan 8.290 nan 0.000 0.542 221 N N 0.995 119.543 118.700 -0.254 0.000 2.270 221 N HA -0.033 4.708 4.740 0.001 0.000 0.181 221 N C 1.946 177.197 175.510 -0.431 0.000 1.016 221 N CA 1.556 54.327 53.050 -0.466 0.000 0.870 221 N CB 0.056 38.215 38.487 -0.546 0.000 0.979 221 N HN 0.792 nan 8.380 nan 0.000 0.431 222 E N -1.435 118.616 120.200 -0.249 0.000 2.617 222 E HA 0.037 4.387 4.350 0.001 0.000 0.208 222 E C -0.508 176.013 176.600 -0.133 0.000 0.888 222 E CA -0.224 56.066 56.400 -0.184 0.000 1.485 222 E CB -0.406 29.224 29.700 -0.116 0.000 1.482 222 E HN -0.164 nan 8.360 nan 0.000 0.813 223 D N 2.401 122.736 120.400 -0.108 0.000 2.598 223 D HA 0.054 4.695 4.640 0.001 0.000 0.231 223 D C 1.073 177.318 176.300 -0.092 0.000 1.127 223 D CA 0.118 54.075 54.000 -0.071 0.000 1.126 223 D CB 0.009 40.781 40.800 -0.046 0.000 1.124 223 D HN 0.270 nan 8.370 nan 0.000 0.485 224 L N 1.333 122.473 121.223 -0.139 0.000 2.046 224 L HA -0.197 4.144 4.340 0.001 0.000 0.208 224 L C 2.462 179.276 176.870 -0.093 0.000 1.077 224 L CA 1.243 55.913 54.840 -0.284 0.000 0.747 224 L CB -0.502 41.200 42.059 -0.594 0.000 0.896 224 L HN 0.306 nan 8.230 nan 0.000 0.432 225 A N 0.517 123.396 122.820 0.098 0.000 1.902 225 A HA -0.137 4.183 4.320 0.001 0.000 0.217 225 A C 2.409 180.063 177.584 0.117 0.000 1.181 225 A CA 1.858 54.017 52.037 0.202 0.000 0.623 225 A CB -1.217 17.876 19.000 0.155 0.000 0.818 225 A HN 0.450 nan 8.150 nan 0.000 0.443 226 G N -0.312 108.521 108.800 0.056 0.000 2.421 226 G HA2 -0.084 3.876 3.960 0.001 0.000 0.217 226 G HA3 -0.084 3.876 3.960 0.001 0.000 0.217 226 G C 1.508 176.428 174.900 0.035 0.000 1.143 226 G CA 0.982 46.107 45.100 0.042 0.000 0.784 226 G HN 0.478 nan 8.290 nan 0.000 0.541 227 I N 1.410 121.984 120.570 0.007 0.000 2.133 227 I HA -0.146 4.025 4.170 0.001 0.000 0.238 227 I C 3.293 179.432 176.117 0.036 0.000 1.074 227 I CA 1.039 62.339 61.300 -0.001 0.000 1.342 227 I CB -0.320 37.651 38.000 -0.050 0.000 1.053 227 I HN 0.214 nan 8.210 nan 0.000 0.404 228 A N 0.375 123.237 122.820 0.071 0.000 2.032 228 A HA -0.255 4.065 4.320 0.001 0.000 0.221 228 A C 2.354 179.999 177.584 0.101 0.000 1.165 228 A CA 1.721 53.839 52.037 0.135 0.000 0.645 228 A CB -0.445 18.746 19.000 0.319 0.000 0.807 228 A HN 0.242 nan 8.150 nan 0.000 0.453 229 K N -0.221 120.233 120.400 0.090 0.000 2.116 229 K HA 0.101 4.421 4.320 0.001 0.000 0.203 229 K C 2.178 178.812 176.600 0.057 0.000 1.052 229 K CA 1.215 57.543 56.287 0.069 0.000 0.952 229 K CB -0.506 32.035 32.500 0.067 0.000 0.729 229 K HN 0.359 nan 8.250 nan 0.000 0.446 230 A N 1.612 124.465 122.820 0.055 0.000 1.877 230 A HA -0.115 4.206 4.320 0.001 0.000 0.216 230 A C 2.293 179.910 177.584 0.055 0.000 1.186 230 A CA 1.396 53.465 52.037 0.054 0.000 0.620 230 A CB -0.580 18.449 19.000 0.049 0.000 0.822 230 A HN 0.289 nan 8.150 nan 0.000 0.443 231 I N -0.171 120.432 120.570 0.055 0.000 2.163 231 I HA -0.326 3.845 4.170 0.001 0.000 0.243 231 I C 3.009 179.145 176.117 0.032 0.000 1.085 231 I CA 1.167 62.500 61.300 0.054 0.000 1.347 231 I CB -0.538 37.482 38.000 0.034 0.000 1.044 231 I HN 0.383 nan 8.210 nan 0.000 0.408 232 A N 0.623 123.461 122.820 0.031 0.000 1.851 232 A HA -0.333 3.988 4.320 0.001 0.000 0.216 232 A C 2.305 179.905 177.584 0.027 0.000 1.195 232 A CA 2.265 54.315 52.037 0.022 0.000 0.622 232 A CB -0.956 18.063 19.000 0.032 0.000 0.831 232 A HN 0.528 nan 8.150 nan 0.000 0.444 233 Q N -0.284 119.539 119.800 0.038 0.000 2.112 233 Q HA -0.147 4.194 4.340 0.001 0.000 0.206 233 Q C 1.966 177.993 176.000 0.044 0.000 0.987 233 Q CA 2.400 58.229 55.803 0.043 0.000 0.858 233 Q CB -0.493 28.274 28.738 0.049 0.000 0.905 233 Q HN 0.578 nan 8.270 nan 0.000 0.420 234 A N 0.534 123.381 122.820 0.046 0.000 2.019 234 A HA -0.181 4.140 4.320 0.001 0.000 0.219 234 A C 1.807 179.416 177.584 0.043 0.000 1.164 234 A CA 1.637 53.704 52.037 0.050 0.000 0.644 234 A CB -0.348 18.692 19.000 0.065 0.000 0.805 234 A HN 0.433 nan 8.150 nan 0.000 0.449 235 K N -0.496 119.917 120.400 0.021 0.000 2.418 235 K HA 0.214 4.534 4.320 0.001 0.000 0.195 235 K C 1.208 177.861 176.600 0.088 0.000 1.035 235 K CA 0.362 56.670 56.287 0.035 0.000 1.003 235 K CB -0.070 32.384 32.500 -0.076 0.000 0.793 235 K HN 0.464 nan 8.250 nan 0.000 0.494 236 L N 0.713 121.972 121.223 0.060 0.000 2.375 236 L HA 0.010 4.350 4.340 0.001 0.000 0.215 236 L C 0.746 177.644 176.870 0.046 0.000 1.108 236 L CA 0.222 55.095 54.840 0.054 0.000 0.830 236 L CB 0.094 42.178 42.059 0.043 0.000 0.959 236 L HN 0.020 nan 8.230 nan 0.000 0.457 237 S N -0.076 115.650 115.700 0.044 0.000 3.170 237 S HA 0.210 4.680 4.470 0.001 0.000 0.257 237 S C 0.528 175.138 174.600 0.016 0.000 1.284 237 S CA -0.810 57.407 58.200 0.028 0.000 0.973 237 S CB 0.328 63.545 63.200 0.028 0.000 1.330 237 S HN 0.136 nan 8.310 nan 0.000 0.493 238 K N 1.282 121.690 120.400 0.013 0.000 2.551 238 K HA 0.055 4.376 4.320 0.001 0.000 0.192 238 K C 0.609 177.191 176.600 -0.030 0.000 1.027 238 K CA 0.335 56.616 56.287 -0.009 0.000 1.059 238 K CB -0.301 32.193 32.500 -0.010 0.000 0.831 238 K HN 0.657 nan 8.250 nan 0.000 0.508 239 D N 0.139 120.522 120.400 -0.028 0.000 2.441 239 D HA 0.016 4.656 4.640 0.001 0.000 0.210 239 D C -0.304 175.961 176.300 -0.059 0.000 1.102 239 D CA -0.153 53.825 54.000 -0.037 0.000 0.840 239 D CB 0.316 41.100 40.800 -0.027 0.000 0.990 239 D HN 0.062 nan 8.370 nan 0.000 0.505 240 K N 1.318 121.676 120.400 -0.070 0.000 2.513 240 K HA 0.401 4.722 4.320 0.001 0.000 0.251 240 K C -2.990 173.496 176.600 -0.189 0.000 0.939 240 K CA -1.808 54.416 56.287 -0.106 0.000 0.793 240 K CB 2.976 35.462 32.500 -0.023 0.000 1.241 240 K HN -0.156 nan 8.250 nan 0.000 0.431 241 P HA 0.034 nan 4.420 nan 0.000 0.272 241 P C -0.691 176.429 177.300 -0.300 0.000 1.223 241 P CA -0.143 62.599 63.100 -0.597 0.000 0.784 241 P CB 0.631 31.528 31.700 -1.339 0.000 0.923 242 T N 2.339 116.846 114.554 -0.079 0.000 2.807 242 T HA 0.450 4.800 4.350 0.001 0.000 0.279 242 T C -0.349 174.556 174.700 0.341 0.000 0.993 242 T CA -0.381 61.821 62.100 0.169 0.000 0.970 242 T CB 0.829 69.756 68.868 0.099 0.000 0.950 242 T HN 0.220 nan 8.240 nan 0.000 0.441 243 L N 4.298 125.737 121.223 0.359 0.000 2.305 243 L HA 0.637 4.977 4.340 0.001 0.000 0.284 243 L C -1.155 175.734 176.870 0.031 0.000 1.013 243 L CA -0.584 54.365 54.840 0.180 0.000 0.819 243 L CB 0.751 42.760 42.059 -0.084 0.000 1.227 243 L HN 0.648 nan 8.230 nan 0.000 0.417 244 I N 5.264 125.856 120.570 0.037 0.000 2.330 244 I HA 0.300 4.471 4.170 0.001 0.000 0.286 244 I C -0.015 176.088 176.117 -0.022 0.000 1.025 244 I CA -0.521 60.776 61.300 -0.005 0.000 1.197 244 I CB 0.990 39.015 38.000 0.042 0.000 1.358 244 I HN 0.557 nan 8.210 nan 0.000 0.467 245 K N 8.307 128.650 120.400 -0.095 0.000 2.220 245 K HA 0.337 4.658 4.320 0.001 0.000 0.283 245 K C -0.538 175.997 176.600 -0.108 0.000 1.098 245 K CA -0.293 55.944 56.287 -0.084 0.000 0.928 245 K CB 0.509 32.947 32.500 -0.103 0.000 1.214 245 K HN 0.598 nan 8.250 nan 0.000 0.442 246 M N 4.208 123.706 119.600 -0.170 0.000 2.129 246 M HA 0.198 4.679 4.480 0.001 0.000 0.348 246 M C -0.989 175.187 176.300 -0.207 0.000 1.116 246 M CA -0.252 54.959 55.300 -0.149 0.000 1.022 246 M CB 1.418 33.934 32.600 -0.141 0.000 1.599 246 M HN 0.427 nan 8.290 nan 0.000 0.449 247 T N 3.749 118.219 114.554 -0.142 0.000 2.817 247 T HA 0.537 4.888 4.350 0.001 0.000 0.293 247 T C -0.018 174.609 174.700 -0.122 0.000 0.964 247 T CA -0.457 61.560 62.100 -0.138 0.000 1.085 247 T CB 0.822 69.638 68.868 -0.086 0.000 0.921 247 T HN 0.788 nan 8.240 nan 0.000 0.502 248 T N -0.658 113.826 114.554 -0.116 0.000 2.841 248 T HA 0.622 4.973 4.350 0.001 0.000 0.296 248 T C -0.714 173.968 174.700 -0.030 0.000 1.166 248 T CA -0.944 61.099 62.100 -0.094 0.000 1.007 248 T CB 1.635 70.432 68.868 -0.117 0.000 1.253 248 T HN 0.324 nan 8.240 nan 0.000 0.511 249 T N 2.053 116.621 114.554 0.024 0.000 2.756 249 T HA 0.459 4.809 4.350 0.001 0.000 0.290 249 T C 0.332 175.102 174.700 0.117 0.000 0.985 249 T CA -0.590 61.566 62.100 0.093 0.000 0.955 249 T CB 0.395 69.371 68.868 0.181 0.000 0.930 249 T HN 0.759 nan 8.240 nan 0.000 0.451 250 I N 2.841 123.466 120.570 0.091 0.000 2.752 250 I HA 0.280 4.450 4.170 0.001 0.000 0.289 250 I C 1.204 177.395 176.117 0.124 0.000 1.197 250 I CA 1.245 62.607 61.300 0.102 0.000 1.432 250 I CB 0.049 38.110 38.000 0.101 0.000 1.359 250 I HN 0.979 nan 8.210 nan 0.000 0.571 251 G N 5.104 113.983 108.800 0.131 0.000 2.198 251 G HA2 -0.359 3.602 3.960 0.001 0.000 0.260 251 G HA3 -0.359 3.602 3.960 0.001 0.000 0.260 251 G C 0.120 175.106 174.900 0.143 0.000 1.025 251 G CA 0.341 45.516 45.100 0.125 0.000 0.769 251 G HN 0.908 nan 8.290 nan 0.000 0.507 252 Y N 0.321 120.654 120.300 0.055 0.000 2.881 252 Y HA 0.260 4.810 4.550 0.001 0.000 0.335 252 Y C 1.597 177.578 175.900 0.134 0.000 1.263 252 Y CA 1.792 59.935 58.100 0.071 0.000 1.572 252 Y CB 0.214 38.707 38.460 0.054 0.000 1.237 252 Y HN 1.291 nan 8.280 nan 0.000 0.568 253 G N 2.936 111.486 108.800 -0.416 0.000 2.278 253 G HA2 -0.269 3.691 3.960 0.001 0.000 0.210 253 G HA3 -0.269 3.691 3.960 0.001 0.000 0.210 253 G C 0.261 174.985 174.900 -0.294 0.000 1.000 253 G CA 0.066 44.960 45.100 -0.344 0.000 0.635 253 G HN 1.030 nan 8.290 nan 0.000 0.495 254 S N -0.079 115.527 115.700 -0.156 0.000 2.617 254 S HA 0.575 5.046 4.470 0.001 0.000 0.269 254 S C 1.559 176.067 174.600 -0.154 0.000 1.292 254 S CA -0.106 58.027 58.200 -0.112 0.000 1.010 254 S CB 0.996 64.194 63.200 -0.003 0.000 0.944 254 S HN 0.496 nan 8.310 nan 0.000 0.536 255 L N 2.300 123.409 121.223 -0.191 0.000 2.549 255 L HA 0.155 4.495 4.340 0.001 0.000 0.229 255 L C 0.733 177.247 176.870 -0.592 0.000 1.158 255 L CA 1.418 56.030 54.840 -0.380 0.000 0.842 255 L CB -0.974 40.805 42.059 -0.467 0.000 0.952 255 L HN 0.734 nan 8.230 nan 0.000 0.452 256 H N -1.760 117.287 119.070 -0.038 0.000 2.575 256 H HA 0.521 5.077 4.556 0.001 0.000 0.256 256 H C 0.668 175.995 175.328 -0.001 0.000 1.162 256 H CA -0.257 55.783 56.048 -0.014 0.000 0.969 256 H CB 0.209 29.972 29.762 0.002 0.000 1.796 256 H HN 0.108 nan 8.280 nan 0.000 0.607 257 A N 0.652 123.492 122.820 0.034 0.000 2.540 257 A HA 0.398 4.718 4.320 0.001 0.000 0.239 257 A C 1.682 179.300 177.584 0.056 0.000 1.061 257 A CA 0.964 53.027 52.037 0.043 0.000 0.758 257 A CB -0.504 18.491 19.000 -0.009 0.000 0.991 257 A HN 0.843 nan 8.150 nan 0.000 0.502 258 G N 0.753 109.598 108.800 0.075 0.000 2.176 258 G HA2 -0.172 3.788 3.960 0.001 0.000 0.253 258 G HA3 -0.172 3.788 3.960 0.001 0.000 0.253 258 G C 0.538 175.470 174.900 0.054 0.000 0.979 258 G CA 0.756 45.892 45.100 0.060 0.000 0.641 258 G HN 1.834 nan 8.290 nan 0.000 0.530 259 S N -0.472 115.277 115.700 0.081 0.000 2.565 259 S HA 0.566 5.036 4.470 0.001 0.000 0.290 259 S C 1.540 176.231 174.600 0.150 0.000 1.150 259 S CA 0.465 58.713 58.200 0.080 0.000 1.058 259 S CB 0.573 63.846 63.200 0.121 0.000 1.032 259 S HN 0.681 nan 8.310 nan 0.000 0.510 260 H N 2.032 121.123 119.070 0.034 0.000 2.521 260 H HA 0.016 4.572 4.556 0.000 0.000 0.286 260 H C 1.549 176.883 175.328 0.010 0.000 1.034 260 H CA 0.915 56.979 56.048 0.027 0.000 1.278 260 H CB -0.189 29.586 29.762 0.021 0.000 1.386 260 H HN 0.555 nan 8.280 nan 0.000 0.567 261 S N 1.588 117.442 115.700 0.256 0.000 2.400 261 S HA -0.177 4.294 4.470 0.001 0.000 0.232 261 S C 2.286 176.890 174.600 0.007 0.000 1.025 261 S CA 1.271 59.495 58.200 0.039 0.000 0.993 261 S CB -0.610 62.581 63.200 -0.016 0.000 0.808 261 S HN 0.542 nan 8.310 nan 0.000 0.478 262 V N -0.311 119.640 119.914 0.062 0.000 3.041 262 V HA 0.231 4.351 4.120 0.001 0.000 0.260 262 V C 2.323 178.459 176.094 0.070 0.000 1.105 262 V CA 0.565 62.902 62.300 0.062 0.000 1.125 262 V CB -1.608 30.272 31.823 0.095 0.000 0.730 262 V HN 0.440 nan 8.190 nan 0.000 0.479 263 A N 2.034 124.900 122.820 0.078 0.000 1.844 263 A HA 0.084 4.404 4.320 0.001 0.000 0.214 263 A C 1.960 179.597 177.584 0.089 0.000 1.217 263 A CA 1.900 53.998 52.037 0.102 0.000 0.644 263 A CB -1.474 17.578 19.000 0.086 0.000 0.850 263 A HN 0.955 nan 8.150 nan 0.000 0.456 264 G N -1.157 107.619 108.800 -0.041 0.000 4.294 264 G HA2 0.582 4.542 3.960 0.001 0.000 0.301 264 G HA3 0.582 4.542 3.960 0.001 0.000 0.301 264 G C -0.282 174.418 174.900 -0.333 0.000 1.321 264 G CA 0.794 45.695 45.100 -0.332 0.000 1.190 264 G HN 1.181 nan 8.290 nan 0.000 0.600 265 A N 0.949 123.665 122.820 -0.173 0.000 2.566 265 A HA 0.836 5.156 4.320 0.001 0.000 0.297 265 A C -3.012 174.540 177.584 -0.052 0.000 1.059 265 A CA -1.218 50.746 52.037 -0.122 0.000 0.691 265 A CB 2.082 21.018 19.000 -0.105 0.000 1.282 265 A HN 0.084 nan 8.150 nan 0.000 0.401 266 P HA 0.275 nan 4.420 nan 0.000 0.268 266 P C -0.279 177.019 177.300 -0.003 0.000 1.205 266 P CA 0.159 63.262 63.100 0.004 0.000 0.771 266 P CB 0.452 32.162 31.700 0.017 0.000 0.858 267 L N 2.434 123.663 121.223 0.008 0.000 2.473 267 L HA 0.150 4.490 4.340 0.001 0.000 0.268 267 L C 1.363 178.236 176.870 0.005 0.000 1.215 267 L CA -0.342 54.504 54.840 0.010 0.000 0.823 267 L CB -0.195 41.872 42.059 0.014 0.000 1.099 267 L HN 0.247 nan 8.230 nan 0.000 0.483 268 K N 1.420 121.825 120.400 0.010 0.000 2.350 268 K HA 0.124 4.444 4.320 0.001 0.000 0.279 268 K C 0.897 177.501 176.600 0.007 0.000 1.027 268 K CA 0.217 56.509 56.287 0.008 0.000 0.969 268 K CB 1.133 33.645 32.500 0.019 0.000 0.954 268 K HN 0.745 nan 8.250 nan 0.000 0.474 269 A N 3.930 126.753 122.820 0.004 0.000 1.958 269 A HA -0.259 4.061 4.320 0.001 0.000 0.221 269 A C 1.399 178.980 177.584 -0.004 0.000 1.178 269 A CA 2.143 54.181 52.037 0.002 0.000 0.642 269 A CB -0.334 18.670 19.000 0.007 0.000 0.816 269 A HN 0.812 nan 8.150 nan 0.000 0.453 270 D N -0.141 120.258 120.400 -0.000 0.000 2.123 270 D HA -0.185 4.456 4.640 0.001 0.000 0.196 270 D C 1.509 177.798 176.300 -0.018 0.000 0.992 270 D CA 1.572 55.569 54.000 -0.006 0.000 0.833 270 D CB -0.616 40.186 40.800 0.004 0.000 0.954 270 D HN 0.519 nan 8.370 nan 0.000 0.455 271 D N 0.721 121.117 120.400 -0.006 0.000 2.183 271 D HA -0.101 4.539 4.640 0.001 0.000 0.203 271 D C 2.074 178.342 176.300 -0.054 0.000 0.969 271 D CA 0.289 54.276 54.000 -0.022 0.000 0.842 271 D CB 0.128 40.947 40.800 0.033 0.000 0.957 271 D HN 0.011 nan 8.370 nan 0.000 0.484 272 V N 0.455 120.345 119.914 -0.040 0.000 2.515 272 V HA -0.153 3.967 4.120 0.001 0.000 0.250 272 V C 2.442 178.495 176.094 -0.068 0.000 1.058 272 V CA 1.339 63.606 62.300 -0.056 0.000 1.064 272 V CB -0.360 31.440 31.823 -0.039 0.000 0.675 272 V HN 0.167 nan 8.190 nan 0.000 0.461 273 K N 0.702 121.070 120.400 -0.052 0.000 1.984 273 K HA -0.237 4.083 4.320 0.001 0.000 0.209 273 K C 2.333 178.887 176.600 -0.075 0.000 1.046 273 K CA 1.805 58.064 56.287 -0.046 0.000 0.934 273 K CB -0.281 32.202 32.500 -0.028 0.000 0.717 273 K HN 0.641 nan 8.250 nan 0.000 0.438 274 Q N 1.415 121.157 119.800 -0.096 0.000 2.135 274 Q HA -0.196 4.145 4.340 0.001 0.000 0.204 274 Q C 1.969 177.834 176.000 -0.226 0.000 0.981 274 Q CA 1.499 57.221 55.803 -0.136 0.000 0.856 274 Q CB -0.683 27.973 28.738 -0.136 0.000 0.902 274 Q HN 0.236 nan 8.270 nan 0.000 0.425 275 L N 0.411 121.476 121.223 -0.263 0.000 1.990 275 L HA -0.216 4.124 4.340 0.001 0.000 0.213 275 L C 2.009 178.617 176.870 -0.438 0.000 1.072 275 L CA 2.185 56.758 54.840 -0.446 0.000 0.755 275 L CB -0.373 41.508 42.059 -0.297 0.000 0.889 275 L HN 0.188 nan 8.230 nan 0.000 0.432 276 K N -1.069 119.209 120.400 -0.203 0.000 2.002 276 K HA -0.128 4.192 4.320 0.001 0.000 0.209 276 K C 2.189 178.798 176.600 0.015 0.000 1.048 276 K CA 1.650 57.896 56.287 -0.067 0.000 0.930 276 K CB -0.428 32.077 32.500 0.009 0.000 0.714 276 K HN 0.272 nan 8.250 nan 0.000 0.438 277 S N 1.076 116.759 115.700 -0.029 0.000 2.370 277 S HA -0.195 4.275 4.470 0.001 0.000 0.226 277 S C 1.894 176.480 174.600 -0.023 0.000 1.033 277 S CA 1.431 59.628 58.200 -0.005 0.000 1.011 277 S CB -0.123 63.058 63.200 -0.032 0.000 0.852 277 S HN 0.290 nan 8.310 nan 0.000 0.457 278 K N 0.131 120.445 120.400 -0.144 0.000 2.002 278 K HA -0.092 4.228 4.320 0.001 0.000 0.209 278 K C 1.039 177.629 176.600 -0.016 0.000 1.048 278 K CA 1.452 57.622 56.287 -0.195 0.000 0.930 278 K CB -0.255 31.949 32.500 -0.494 0.000 0.714 278 K HN 0.283 nan 8.250 nan 0.000 0.438 279 F N 0.504 120.461 119.950 0.012 0.000 2.816 279 F HA 0.221 4.748 4.527 0.000 0.000 0.302 279 F C 1.387 177.316 175.800 0.215 0.000 1.178 279 F CA 0.579 58.609 58.000 0.050 0.000 1.421 279 F CB -0.158 38.799 39.000 -0.071 0.000 1.114 279 F HN 0.432 nan 8.300 nan 0.000 0.573 280 G N -0.685 108.315 108.800 0.333 0.000 2.137 280 G HA2 -0.286 3.674 3.960 0.001 0.000 0.237 280 G HA3 -0.286 3.674 3.960 0.001 0.000 0.237 280 G C 0.100 175.178 174.900 0.295 0.000 1.002 280 G CA -0.366 44.897 45.100 0.271 0.000 0.702 280 G HN 0.155 nan 8.290 nan 0.000 0.515 281 F N 0.005 119.977 119.950 0.036 0.000 2.461 281 F HA 0.649 5.177 4.527 0.001 0.000 0.337 281 F C 0.656 176.459 175.800 0.005 0.000 1.079 281 F CA -1.953 56.060 58.000 0.021 0.000 1.032 281 F CB 0.678 39.694 39.000 0.027 0.000 1.327 281 F HN 0.023 nan 8.300 nan 0.000 0.491 282 N N 3.211 122.006 118.700 0.159 0.000 2.406 282 N HA 0.189 4.929 4.740 0.001 0.000 0.251 282 N C -1.943 173.625 175.510 0.097 0.000 1.069 282 N CA -2.263 50.839 53.050 0.085 0.000 0.947 282 N CB 0.963 39.480 38.487 0.049 0.000 1.111 282 N HN 0.142 nan 8.380 nan 0.000 0.497 283 P HA -0.056 nan 4.420 nan 0.000 0.234 283 P C -0.364 176.956 177.300 0.034 0.000 1.162 283 P CA 0.947 64.070 63.100 0.038 0.000 0.759 283 P CB 0.513 32.220 31.700 0.013 0.000 0.813 284 D N -0.856 119.570 120.400 0.044 0.000 2.441 284 D HA 0.105 4.745 4.640 0.001 0.000 0.210 284 D C 0.578 176.912 176.300 0.056 0.000 1.102 284 D CA 0.253 54.278 54.000 0.042 0.000 0.840 284 D CB 0.786 41.605 40.800 0.033 0.000 0.990 284 D HN 0.305 nan 8.370 nan 0.000 0.505 285 K N 0.626 121.070 120.400 0.072 0.000 2.156 285 K HA 0.558 4.879 4.320 0.001 0.000 0.254 285 K C -0.349 176.314 176.600 0.104 0.000 0.950 285 K CA -0.467 55.874 56.287 0.090 0.000 0.849 285 K CB 2.447 35.002 32.500 0.092 0.000 1.100 285 K HN -0.230 nan 8.250 nan 0.000 0.434 286 S N 0.759 116.542 115.700 0.137 0.000 2.566 286 S HA 0.489 4.960 4.470 0.001 0.000 0.298 286 S C -0.642 174.121 174.600 0.272 0.000 1.083 286 S CA -0.753 57.533 58.200 0.143 0.000 0.978 286 S CB 0.415 63.742 63.200 0.213 0.000 1.073 286 S HN 0.641 nan 8.310 nan 0.000 0.491 287 F N 0.090 120.073 119.950 0.056 0.000 2.969 287 F HA -0.158 4.370 4.527 0.001 0.000 0.273 287 F C -0.147 175.702 175.800 0.082 0.000 0.986 287 F CA -0.129 57.901 58.000 0.049 0.000 0.926 287 F CB -1.703 37.311 39.000 0.023 0.000 0.887 287 F HN 0.209 nan 8.300 nan 0.000 0.816 288 V N 1.155 121.190 119.914 0.202 0.000 2.370 288 V HA 0.563 4.683 4.120 0.001 0.000 0.279 288 V C 0.171 176.387 176.094 0.204 0.000 1.029 288 V CA -0.835 61.588 62.300 0.204 0.000 0.870 288 V CB 1.844 33.788 31.823 0.201 0.000 0.984 288 V HN 0.035 nan 8.190 nan 0.000 0.451 289 V N 7.228 127.223 119.914 0.134 0.000 2.376 289 V HA 0.363 4.483 4.120 0.001 0.000 0.287 289 V C -2.269 173.796 176.094 -0.049 0.000 1.015 289 V CA -1.776 60.532 62.300 0.013 0.000 0.834 289 V CB 1.795 33.543 31.823 -0.124 0.000 1.001 289 V HN 0.763 nan 8.190 nan 0.000 0.428 290 P HA 0.064 nan 4.420 nan 0.000 0.264 290 P C 0.687 177.958 177.300 -0.050 0.000 1.193 290 P CA 0.106 63.163 63.100 -0.072 0.000 0.763 290 P CB 0.714 32.351 31.700 -0.104 0.000 0.810 291 Q N 3.131 122.954 119.800 0.039 0.000 2.112 291 Q HA -0.263 4.077 4.340 0.001 0.000 0.206 291 Q C 1.227 177.289 176.000 0.103 0.000 0.987 291 Q CA 2.049 57.935 55.803 0.139 0.000 0.858 291 Q CB -0.431 28.381 28.738 0.123 0.000 0.905 291 Q HN 0.440 nan 8.270 nan 0.000 0.420 292 E N -0.980 119.237 120.200 0.028 0.000 2.267 292 E HA -0.130 4.220 4.350 0.001 0.000 0.197 292 E C 1.865 178.463 176.600 -0.002 0.000 0.998 292 E CA 1.142 57.549 56.400 0.013 0.000 0.830 292 E CB -0.148 29.534 29.700 -0.030 0.000 0.751 292 E HN 0.193 nan 8.360 nan 0.000 0.491 293 V N 0.059 119.942 119.914 -0.052 0.000 2.323 293 V HA -0.236 3.884 4.120 0.001 0.000 0.244 293 V C 1.601 177.700 176.094 0.007 0.000 1.041 293 V CA 1.500 63.732 62.300 -0.114 0.000 1.025 293 V CB -0.465 31.264 31.823 -0.158 0.000 0.656 293 V HN 0.252 nan 8.190 nan 0.000 0.451 294 Y N 1.107 121.464 120.300 0.094 0.000 2.128 294 Y HA -0.225 4.325 4.550 0.001 0.000 0.284 294 Y C 2.518 178.480 175.900 0.103 0.000 1.154 294 Y CA 1.480 59.653 58.100 0.121 0.000 1.149 294 Y CB -0.867 37.645 38.460 0.087 0.000 0.976 294 Y HN 0.357 nan 8.280 nan 0.000 0.505 295 D N -1.638 118.910 120.400 0.246 0.000 2.149 295 D HA -0.202 4.439 4.640 0.001 0.000 0.198 295 D C 2.034 178.415 176.300 0.135 0.000 0.990 295 D CA 1.791 55.884 54.000 0.155 0.000 0.839 295 D CB -0.576 40.292 40.800 0.113 0.000 0.948 295 D HN 0.437 nan 8.370 nan 0.000 0.460 296 H N -0.563 118.511 119.070 0.006 0.000 2.326 296 H HA -0.133 4.423 4.556 0.001 0.000 0.301 296 H C 1.538 176.875 175.328 0.015 0.000 1.081 296 H CA 1.512 57.523 56.048 -0.060 0.000 1.334 296 H CB -0.260 29.367 29.762 -0.224 0.000 1.385 296 H HN 0.099 nan 8.280 nan 0.000 0.504 297 Y N -0.010 120.327 120.300 0.062 0.000 2.373 297 Y HA -0.076 4.475 4.550 0.001 0.000 0.293 297 Y C 2.688 178.595 175.900 0.012 0.000 1.129 297 Y CA 1.144 59.256 58.100 0.020 0.000 1.226 297 Y CB -0.542 37.995 38.460 0.128 0.000 1.000 297 Y HN 0.318 nan 8.280 nan 0.000 0.549 298 Q N 0.916 120.830 119.800 0.189 0.000 2.046 298 Q HA -0.176 4.164 4.340 0.001 0.000 0.200 298 Q C 2.326 178.357 176.000 0.053 0.000 0.975 298 Q CA 2.032 57.898 55.803 0.105 0.000 0.836 298 Q CB -0.167 28.622 28.738 0.084 0.000 0.896 298 Q HN 0.373 nan 8.270 nan 0.000 0.428 299 K N -0.956 119.458 120.400 0.023 0.000 2.002 299 K HA -0.142 4.178 4.320 0.001 0.000 0.209 299 K C 1.938 178.515 176.600 -0.039 0.000 1.048 299 K CA 1.961 58.240 56.287 -0.014 0.000 0.930 299 K CB -0.353 32.134 32.500 -0.022 0.000 0.714 299 K HN 0.473 nan 8.250 nan 0.000 0.438 300 T N -2.003 112.486 114.554 -0.108 0.000 3.067 300 T HA 0.103 4.453 4.350 0.001 0.000 0.261 300 T C 1.751 176.456 174.700 0.008 0.000 1.110 300 T CA 0.590 62.639 62.100 -0.086 0.000 1.113 300 T CB 0.013 68.745 68.868 -0.227 0.000 0.917 300 T HN 0.234 nan 8.240 nan 0.000 0.499 301 I N -0.990 119.612 120.570 0.055 0.000 3.623 301 I HA 0.301 4.471 4.170 0.001 0.000 0.253 301 I C 2.132 178.284 176.117 0.058 0.000 1.144 301 I CA -0.248 61.099 61.300 0.077 0.000 1.461 301 I CB -0.210 37.862 38.000 0.120 0.000 1.575 301 I HN 0.053 nan 8.210 nan 0.000 0.445 302 L N 1.595 122.853 121.223 0.058 0.000 1.970 302 L HA -0.228 4.112 4.340 0.001 0.000 0.212 302 L C 2.613 179.484 176.870 0.002 0.000 1.071 302 L CA 2.001 56.852 54.840 0.020 0.000 0.751 302 L CB -0.256 41.815 42.059 0.020 0.000 0.889 302 L HN 0.121 nan 8.230 nan 0.000 0.432 303 K N -0.749 119.656 120.400 0.008 0.000 2.032 303 K HA -0.172 4.148 4.320 0.001 0.000 0.209 303 K C -0.362 176.236 176.600 -0.003 0.000 1.048 303 K CA 1.915 58.201 56.287 -0.003 0.000 0.927 303 K CB -1.084 31.418 32.500 0.002 0.000 0.712 303 K HN 0.351 nan 8.250 nan 0.000 0.441 304 P HA -0.099 nan 4.420 nan 0.000 0.215 304 P C 1.320 178.632 177.300 0.020 0.000 1.157 304 P CA 1.495 64.606 63.100 0.018 0.000 0.859 304 P CB -0.163 31.554 31.700 0.029 0.000 0.786 305 G N -0.075 108.745 108.800 0.033 0.000 2.469 305 G HA2 -0.262 3.698 3.960 0.001 0.000 0.219 305 G HA3 -0.262 3.698 3.960 0.001 0.000 0.219 305 G C 1.650 176.525 174.900 -0.043 0.000 1.150 305 G CA 0.924 46.056 45.100 0.052 0.000 0.763 305 G HN 0.136 nan 8.290 nan 0.000 0.561 306 V N 0.625 120.499 119.914 -0.066 0.000 2.287 306 V HA -0.187 3.934 4.120 0.001 0.000 0.248 306 V C 2.584 178.593 176.094 -0.142 0.000 1.053 306 V CA 2.275 64.502 62.300 -0.121 0.000 1.027 306 V CB -0.380 31.392 31.823 -0.084 0.000 0.646 306 V HN 0.569 nan 8.190 nan 0.000 0.447 307 E N -0.170 119.982 120.200 -0.080 0.000 2.204 307 E HA -0.163 4.187 4.350 0.001 0.000 0.194 307 E C 2.182 178.741 176.600 -0.068 0.000 0.989 307 E CA 1.000 57.363 56.400 -0.062 0.000 0.824 307 E CB -0.094 29.592 29.700 -0.023 0.000 0.756 307 E HN 0.596 nan 8.360 nan 0.000 0.477 308 A N 1.256 124.032 122.820 -0.073 0.000 1.929 308 A HA -0.175 4.146 4.320 0.001 0.000 0.216 308 A C 2.003 179.432 177.584 -0.260 0.000 1.176 308 A CA 1.378 53.402 52.037 -0.021 0.000 0.628 308 A CB -0.515 18.575 19.000 0.149 0.000 0.816 308 A HN 0.229 nan 8.150 nan 0.000 0.444 309 N N 0.424 118.710 118.700 -0.691 0.000 2.244 309 N HA -0.153 4.588 4.740 0.001 0.000 0.183 309 N C 1.518 176.781 175.510 -0.412 0.000 1.016 309 N CA 1.632 53.995 53.050 -1.144 0.000 0.866 309 N CB -0.517 37.305 38.487 -1.109 0.000 0.980 309 N HN 0.576 nan 8.380 nan 0.000 0.430 310 N N 0.162 118.729 118.700 -0.222 0.000 2.171 310 N HA -0.068 4.672 4.740 0.001 0.000 0.184 310 N C 1.486 176.997 175.510 0.002 0.000 1.021 310 N CA 1.139 54.141 53.050 -0.080 0.000 0.854 310 N CB 0.010 38.459 38.487 -0.063 0.000 0.994 310 N HN -0.022 nan 8.380 nan 0.000 0.426 311 K N -0.449 119.963 120.400 0.019 0.000 2.057 311 K HA -0.092 4.228 4.320 0.001 0.000 0.207 311 K C 1.575 178.246 176.600 0.118 0.000 1.049 311 K CA 1.145 57.470 56.287 0.064 0.000 0.931 311 K CB -0.578 31.969 32.500 0.077 0.000 0.714 311 K HN 0.366 nan 8.250 nan 0.000 0.440 312 W N 1.399 122.698 121.300 -0.002 0.000 2.355 312 W HA -0.204 4.456 4.660 0.001 0.000 0.309 312 W C 1.590 178.183 176.519 0.123 0.000 1.206 312 W CA 2.080 59.480 57.345 0.092 0.000 1.284 312 W CB -0.470 29.096 29.460 0.175 0.000 1.145 312 W HN 0.144 nan 8.180 nan 0.000 0.502 313 N N -0.083 118.830 118.700 0.355 0.000 2.104 313 N HA -0.264 4.476 4.740 0.001 0.000 0.190 313 N C 1.758 177.330 175.510 0.103 0.000 1.024 313 N CA 2.452 55.668 53.050 0.277 0.000 0.853 313 N CB -0.299 38.334 38.487 0.243 0.000 1.008 313 N HN 0.284 nan 8.380 nan 0.000 0.424 314 K N 0.267 120.704 120.400 0.062 0.000 2.217 314 K HA -0.047 4.274 4.320 0.001 0.000 0.202 314 K C 1.804 178.433 176.600 0.048 0.000 1.051 314 K CA 0.715 57.027 56.287 0.043 0.000 0.952 314 K CB -0.139 32.382 32.500 0.035 0.000 0.736 314 K HN 0.076 nan 8.250 nan 0.000 0.453 315 L N 0.806 122.036 121.223 0.010 0.000 2.056 315 L HA -0.032 4.308 4.340 0.001 0.000 0.207 315 L C 2.139 179.103 176.870 0.157 0.000 1.078 315 L CA 1.393 56.272 54.840 0.064 0.000 0.749 315 L CB -0.595 41.417 42.059 -0.078 0.000 0.901 315 L HN 0.177 nan 8.230 nan 0.000 0.433 316 F N -0.181 119.581 119.950 -0.313 0.000 2.216 316 F HA -0.148 4.379 4.527 0.001 0.000 0.300 316 F C 2.417 178.206 175.800 -0.019 0.000 1.085 316 F CA 1.353 59.174 58.000 -0.299 0.000 1.326 316 F CB -0.715 37.922 39.000 -0.605 0.000 1.027 316 F HN 0.146 nan 8.300 nan 0.000 0.497 317 S N 0.098 115.774 115.700 -0.040 0.000 2.355 317 S HA -0.153 4.317 4.470 0.001 0.000 0.222 317 S C 1.841 176.423 174.600 -0.030 0.000 1.031 317 S CA 1.213 59.353 58.200 -0.101 0.000 0.993 317 S CB -0.327 62.853 63.200 -0.035 0.000 0.859 317 S HN 0.350 nan 8.310 nan 0.000 0.453 318 E N 0.694 120.956 120.200 0.103 0.000 2.085 318 E HA -0.150 4.200 4.350 0.001 0.000 0.194 318 E C 1.754 178.383 176.600 0.048 0.000 0.994 318 E CA 1.023 57.526 56.400 0.170 0.000 0.801 318 E CB -0.516 29.428 29.700 0.407 0.000 0.743 318 E HN 0.680 nan 8.360 nan 0.000 0.453 319 Y N 1.979 122.219 120.300 -0.099 0.000 2.151 319 Y HA -0.259 4.291 4.550 0.001 0.000 0.284 319 Y C 2.243 178.049 175.900 -0.157 0.000 1.166 319 Y CA 2.109 59.999 58.100 -0.349 0.000 1.163 319 Y CB -0.106 38.315 38.460 -0.066 0.000 0.974 319 Y HN 0.089 nan 8.280 nan 0.000 0.511 320 Q N -0.234 119.506 119.800 -0.100 0.000 2.291 320 Q HA -0.158 4.182 4.340 0.001 0.000 0.205 320 Q C 1.987 177.867 176.000 -0.200 0.000 0.970 320 Q CA 1.361 57.054 55.803 -0.184 0.000 0.876 320 Q CB -0.026 28.544 28.738 -0.280 0.000 0.935 320 Q HN 0.529 nan 8.270 nan 0.000 0.455 321 K N 0.296 120.575 120.400 -0.201 0.000 2.067 321 K HA -0.015 4.305 4.320 0.001 0.000 0.203 321 K C 2.026 178.446 176.600 -0.300 0.000 1.048 321 K CA 0.461 56.632 56.287 -0.193 0.000 0.954 321 K CB 0.089 32.509 32.500 -0.134 0.000 0.737 321 K HN -0.064 nan 8.250 nan 0.000 0.444 322 K N 0.356 120.480 120.400 -0.461 0.000 2.097 322 K HA -0.035 4.285 4.320 0.001 0.000 0.205 322 K C 0.065 175.987 176.600 -1.130 0.000 1.050 322 K CA 1.064 56.843 56.287 -0.846 0.000 0.938 322 K CB 0.206 32.007 32.500 -1.165 0.000 0.718 322 K HN 0.045 nan 8.250 nan 0.000 0.442 323 F N 0.244 119.882 119.950 -0.521 0.000 2.660 323 F HA 0.278 4.806 4.527 0.001 0.000 0.352 323 F C -1.957 173.639 175.800 -0.339 0.000 1.257 323 F CA -2.224 55.500 58.000 -0.459 0.000 1.200 323 F CB 1.504 40.087 39.000 -0.695 0.000 1.473 323 F HN -0.104 nan 8.300 nan 0.000 0.561 324 P HA -0.196 nan 4.420 nan 0.000 0.214 324 P C 1.255 178.549 177.300 -0.010 0.000 1.163 324 P CA 1.729 64.786 63.100 -0.072 0.000 0.889 324 P CB 0.415 32.070 31.700 -0.075 0.000 0.790 325 E N -0.816 119.391 120.200 0.011 0.000 2.017 325 E HA -0.160 4.191 4.350 0.001 0.000 0.193 325 E C 1.939 178.596 176.600 0.095 0.000 0.997 325 E CA 0.999 57.424 56.400 0.041 0.000 0.804 325 E CB -1.387 28.333 29.700 0.034 0.000 0.757 325 E HN 0.048 nan 8.360 nan 0.000 0.448 326 L N 0.365 121.662 121.223 0.123 0.000 2.046 326 L HA -0.028 4.312 4.340 0.001 0.000 0.208 326 L C 2.151 179.248 176.870 0.379 0.000 1.077 326 L CA 2.111 57.104 54.840 0.254 0.000 0.747 326 L CB -1.122 41.065 42.059 0.214 0.000 0.896 326 L HN 0.267 nan 8.230 nan 0.000 0.432 327 G N -1.575 107.384 108.800 0.266 0.000 2.402 327 G HA2 -0.215 3.745 3.960 0.001 0.000 0.216 327 G HA3 -0.215 3.745 3.960 0.001 0.000 0.216 327 G C 1.651 176.671 174.900 0.201 0.000 1.162 327 G CA 0.743 46.043 45.100 0.334 0.000 0.777 327 G HN 0.531 nan 8.290 nan 0.000 0.539 328 A N 0.710 123.593 122.820 0.106 0.000 1.933 328 A HA -0.045 4.275 4.320 0.001 0.000 0.218 328 A C 2.151 179.801 177.584 0.111 0.000 1.175 328 A CA 2.054 54.136 52.037 0.075 0.000 0.628 328 A CB -0.440 18.585 19.000 0.041 0.000 0.814 328 A HN 0.513 nan 8.150 nan 0.000 0.444 329 E N -0.646 119.640 120.200 0.144 0.000 2.047 329 E HA -0.191 4.159 4.350 0.001 0.000 0.191 329 E C 1.902 178.573 176.600 0.119 0.000 0.987 329 E CA 1.337 57.822 56.400 0.142 0.000 0.799 329 E CB -0.201 29.621 29.700 0.202 0.000 0.752 329 E HN 0.420 nan 8.360 nan 0.000 0.449 330 L N 0.976 122.281 121.223 0.136 0.000 2.056 330 L HA -0.024 4.316 4.340 0.001 0.000 0.207 330 L C 2.314 179.266 176.870 0.138 0.000 1.078 330 L CA 2.126 56.947 54.840 -0.031 0.000 0.749 330 L CB -0.815 41.169 42.059 -0.126 0.000 0.901 330 L HN 0.196 nan 8.230 nan 0.000 0.433 331 A N -0.393 122.606 122.820 0.300 0.000 1.978 331 A HA -0.265 4.055 4.320 0.001 0.000 0.220 331 A C 2.545 180.215 177.584 0.143 0.000 1.170 331 A CA 1.889 54.097 52.037 0.284 0.000 0.636 331 A CB -0.670 18.438 19.000 0.180 0.000 0.810 331 A HN 0.532 nan 8.150 nan 0.000 0.448 332 R N -0.378 120.180 120.500 0.096 0.000 2.066 332 R HA -0.100 4.241 4.340 0.001 0.000 0.232 332 R C 2.354 178.674 176.300 0.035 0.000 1.131 332 R CA 1.412 57.548 56.100 0.060 0.000 0.955 332 R CB -0.291 30.039 30.300 0.049 0.000 0.851 332 R HN 0.527 nan 8.270 nan 0.000 0.432 333 R N 0.390 120.895 120.500 0.009 0.000 2.105 333 R HA -0.101 4.239 4.340 0.001 0.000 0.239 333 R C 2.359 178.650 176.300 -0.016 0.000 1.135 333 R CA 1.401 57.481 56.100 -0.032 0.000 0.967 333 R CB -0.365 29.879 30.300 -0.093 0.000 0.861 333 R HN 0.304 nan 8.270 nan 0.000 0.442 334 L N 0.694 121.924 121.223 0.012 0.000 2.275 334 L HA -0.098 4.242 4.340 0.001 0.000 0.215 334 L C 2.478 179.375 176.870 0.046 0.000 1.119 334 L CA 1.189 56.045 54.840 0.027 0.000 0.790 334 L CB -0.384 41.718 42.059 0.073 0.000 0.919 334 L HN 0.290 nan 8.230 nan 0.000 0.443 335 S N -0.831 114.902 115.700 0.055 0.000 2.501 335 S HA 0.075 4.546 4.470 0.001 0.000 0.220 335 S C 1.600 176.224 174.600 0.040 0.000 0.997 335 S CA 0.559 58.792 58.200 0.055 0.000 0.919 335 S CB 0.404 63.641 63.200 0.060 0.000 0.778 335 S HN 0.522 nan 8.310 nan 0.000 0.523 336 G N 0.073 108.889 108.800 0.026 0.000 2.157 336 G HA2 -0.238 3.722 3.960 0.001 0.000 0.248 336 G HA3 -0.238 3.722 3.960 0.001 0.000 0.248 336 G C -0.164 174.745 174.900 0.015 0.000 0.979 336 G CA 0.215 45.324 45.100 0.016 0.000 0.650 336 G HN 0.613 nan 8.290 nan 0.000 0.529 337 Q N -0.394 119.420 119.800 0.024 0.000 2.261 337 Q HA 0.714 5.055 4.340 0.001 0.000 0.252 337 Q C 0.401 176.407 176.000 0.011 0.000 0.915 337 Q CA -0.570 55.252 55.803 0.031 0.000 0.915 337 Q CB 1.310 30.077 28.738 0.048 0.000 1.204 337 Q HN 0.233 nan 8.270 nan 0.000 0.421 338 L N 3.988 125.217 121.223 0.010 0.000 2.439 338 L HA 0.425 4.765 4.340 0.001 0.000 0.261 338 L C -2.062 174.835 176.870 0.045 0.000 1.153 338 L CA -1.929 52.880 54.840 -0.051 0.000 0.808 338 L CB 0.095 42.064 42.059 -0.150 0.000 1.126 338 L HN 0.570 nan 8.230 nan 0.000 0.460 339 P HA 0.090 nan 4.420 nan 0.000 0.267 339 P C -1.191 176.234 177.300 0.208 0.000 1.201 339 P CA -0.191 62.974 63.100 0.107 0.000 0.775 339 P CB 0.352 32.113 31.700 0.102 0.000 0.854 340 A N 2.737 125.639 122.820 0.137 0.000 2.440 340 A HA 0.149 4.469 4.320 0.001 0.000 0.251 340 A C 1.073 178.715 177.584 0.097 0.000 1.089 340 A CA -0.094 52.013 52.037 0.116 0.000 0.779 340 A CB -0.756 18.282 19.000 0.064 0.000 1.022 340 A HN 0.760 nan 8.150 nan 0.000 0.492 341 N N 0.753 119.482 118.700 0.048 0.000 2.693 341 N HA -0.182 4.558 4.740 0.001 0.000 0.249 341 N C 0.994 176.448 175.510 -0.092 0.000 1.119 341 N CA 1.267 54.283 53.050 -0.058 0.000 0.717 341 N CB -0.595 37.865 38.487 -0.045 0.000 1.071 341 N HN 0.983 nan 8.380 nan 0.000 0.555 342 W N 1.764 123.049 121.300 -0.025 0.000 2.338 342 W HA -0.183 4.477 4.660 0.000 0.000 0.304 342 W C 1.542 178.036 176.519 -0.042 0.000 1.212 342 W CA 1.565 58.888 57.345 -0.038 0.000 1.264 342 W CB -0.907 28.533 29.460 -0.033 0.000 1.142 342 W HN 0.212 nan 8.180 nan 0.000 0.512 343 E N 2.469 121.787 120.200 -1.469 0.000 2.401 343 E HA -0.215 4.135 4.350 0.001 0.000 0.199 343 E C 1.850 178.102 176.600 -0.580 0.000 1.023 343 E CA 1.829 57.400 56.400 -1.381 0.000 0.859 343 E CB -1.262 27.642 29.700 -1.328 0.000 0.780 343 E HN 0.428 nan 8.360 nan 0.000 0.523 344 S N 0.478 115.953 115.700 -0.375 0.000 2.474 344 S HA -0.038 4.432 4.470 0.001 0.000 0.235 344 S C 1.638 176.138 174.600 -0.166 0.000 0.997 344 S CA 0.567 58.636 58.200 -0.218 0.000 0.949 344 S CB -0.193 62.917 63.200 -0.150 0.000 0.766 344 S HN 0.241 nan 8.310 nan 0.000 0.517 345 K N 0.449 120.757 120.400 -0.153 0.000 2.404 345 K HA 0.336 4.657 4.320 0.001 0.000 0.194 345 K C -0.226 176.320 176.600 -0.090 0.000 1.023 345 K CA -0.169 56.062 56.287 -0.092 0.000 1.094 345 K CB 0.025 32.502 32.500 -0.039 0.000 0.841 345 K HN 0.409 nan 8.250 nan 0.000 0.523 346 L N 2.833 123.972 121.223 -0.139 0.000 2.367 346 L HA 0.167 4.507 4.340 0.001 0.000 0.275 346 L C -2.158 174.650 176.870 -0.103 0.000 1.129 346 L CA -2.061 52.716 54.840 -0.105 0.000 0.839 346 L CB 0.292 42.261 42.059 -0.150 0.000 1.133 346 L HN -0.155 nan 8.230 nan 0.000 0.453 347 P HA 0.101 nan 4.420 nan 0.000 0.268 347 P C -0.571 176.611 177.300 -0.197 0.000 1.205 347 P CA -0.172 62.828 63.100 -0.167 0.000 0.771 347 P CB 0.787 32.445 31.700 -0.070 0.000 0.858 348 T N -0.378 113.931 114.554 -0.409 0.000 2.901 348 T HA 0.745 5.095 4.350 0.001 0.000 0.293 348 T C -1.127 173.224 174.700 -0.580 0.000 1.084 348 T CA -0.564 61.381 62.100 -0.258 0.000 1.008 348 T CB 1.002 69.789 68.868 -0.134 0.000 1.170 348 T HN 0.218 nan 8.240 nan 0.000 0.509 349 Y N -0.586 119.716 120.300 0.003 0.000 2.715 349 Y HA 0.774 5.325 4.550 0.001 0.000 0.331 349 Y C 0.436 176.344 175.900 0.012 0.000 1.197 349 Y CA -0.805 57.301 58.100 0.009 0.000 1.079 349 Y CB 1.995 40.465 38.460 0.017 0.000 1.298 349 Y HN 1.112 nan 8.280 nan 0.000 0.477 350 T N -2.859 111.813 114.554 0.197 0.000 2.843 350 T HA 0.599 4.950 4.350 0.001 0.000 0.302 350 T C 0.541 175.303 174.700 0.102 0.000 1.232 350 T CA -0.410 61.757 62.100 0.112 0.000 1.009 350 T CB 1.500 70.408 68.868 0.066 0.000 1.254 350 T HN 0.807 nan 8.240 nan 0.000 0.504 351 A N 1.073 123.936 122.820 0.072 0.000 2.032 351 A HA -0.122 4.199 4.320 0.001 0.000 0.221 351 A C 2.103 179.715 177.584 0.048 0.000 1.165 351 A CA 1.757 53.827 52.037 0.055 0.000 0.645 351 A CB -0.826 18.200 19.000 0.044 0.000 0.807 351 A HN 0.855 nan 8.150 nan 0.000 0.453 352 K N -0.103 120.327 120.400 0.050 0.000 2.432 352 K HA 0.006 4.326 4.320 0.001 0.000 0.196 352 K C -0.497 176.135 176.600 0.052 0.000 1.038 352 K CA 0.317 56.630 56.287 0.043 0.000 0.986 352 K CB -0.246 32.275 32.500 0.036 0.000 0.782 352 K HN 0.357 nan 8.250 nan 0.000 0.485 353 D N 2.397 122.844 120.400 0.078 0.000 2.363 353 D HA 0.034 4.675 4.640 0.001 0.000 0.240 353 D C -0.131 176.207 176.300 0.063 0.000 1.236 353 D CA 0.250 54.311 54.000 0.102 0.000 0.927 353 D CB 0.929 41.852 40.800 0.204 0.000 1.150 353 D HN 0.130 nan 8.370 nan 0.000 0.458 354 S N -0.160 115.577 115.700 0.061 0.000 2.580 354 S HA 0.433 4.904 4.470 0.001 0.000 0.274 354 S C 0.056 174.652 174.600 -0.006 0.000 1.329 354 S CA -1.038 57.179 58.200 0.028 0.000 1.036 354 S CB 1.365 64.585 63.200 0.034 0.000 0.919 354 S HN 0.522 nan 8.310 nan 0.000 0.515 355 A N 2.325 125.139 122.820 -0.010 0.000 2.491 355 A HA 0.516 4.836 4.320 0.001 0.000 0.261 355 A C -0.277 177.288 177.584 -0.031 0.000 1.101 355 A CA -0.326 51.695 52.037 -0.027 0.000 0.772 355 A CB -0.448 18.541 19.000 -0.019 0.000 1.043 355 A HN 0.708 nan 8.150 nan 0.000 0.501 356 V N 2.143 122.025 119.914 -0.054 0.000 2.808 356 V HA 0.582 4.702 4.120 0.001 0.000 0.308 356 V C 0.495 176.560 176.094 -0.049 0.000 1.099 356 V CA -0.448 61.824 62.300 -0.047 0.000 0.920 356 V CB 1.761 33.545 31.823 -0.066 0.000 1.014 356 V HN 1.277 nan 8.190 nan 0.000 0.425 357 A N 2.285 125.090 122.820 -0.026 0.000 2.477 357 A HA 0.422 4.742 4.320 0.001 0.000 0.246 357 A C 1.468 179.046 177.584 -0.010 0.000 1.078 357 A CA 0.549 52.574 52.037 -0.019 0.000 0.770 357 A CB 0.230 19.221 19.000 -0.014 0.000 1.011 357 A HN 1.228 nan 8.150 nan 0.000 0.494 358 T N 0.536 115.088 114.554 -0.003 0.000 2.897 358 T HA -0.235 4.115 4.350 0.001 0.000 0.271 358 T C 1.700 176.434 174.700 0.056 0.000 1.084 358 T CA 1.447 63.558 62.100 0.018 0.000 1.123 358 T CB -0.341 68.548 68.868 0.035 0.000 0.865 358 T HN 0.779 nan 8.240 nan 0.000 0.496 359 R N 1.105 121.641 120.500 0.060 0.000 2.092 359 R HA -0.037 4.303 4.340 0.001 0.000 0.231 359 R C 2.451 178.808 176.300 0.094 0.000 1.119 359 R CA 0.944 57.103 56.100 0.098 0.000 0.970 359 R CB -0.144 30.218 30.300 0.103 0.000 0.864 359 R HN 0.145 nan 8.270 nan 0.000 0.440 360 K N 0.999 121.437 120.400 0.064 0.000 2.062 360 K HA -0.037 4.284 4.320 0.001 0.000 0.205 360 K C 2.154 178.789 176.600 0.059 0.000 1.051 360 K CA 1.043 57.366 56.287 0.059 0.000 0.941 360 K CB -0.256 32.267 32.500 0.039 0.000 0.719 360 K HN 0.262 nan 8.250 nan 0.000 0.440 361 L N 0.815 122.062 121.223 0.039 0.000 2.127 361 L HA -0.190 4.150 4.340 0.001 0.000 0.211 361 L C 2.609 179.528 176.870 0.081 0.000 1.089 361 L CA 1.380 56.243 54.840 0.039 0.000 0.757 361 L CB -0.494 41.545 42.059 -0.034 0.000 0.899 361 L HN 0.196 nan 8.230 nan 0.000 0.434 362 S N -0.333 115.429 115.700 0.104 0.000 2.368 362 S HA -0.256 4.214 4.470 0.001 0.000 0.224 362 S C 1.965 176.586 174.600 0.035 0.000 1.029 362 S CA 1.609 59.890 58.200 0.135 0.000 0.988 362 S CB -0.155 63.170 63.200 0.208 0.000 0.838 362 S HN 0.494 nan 8.310 nan 0.000 0.462 363 E N -0.159 120.080 120.200 0.066 0.000 2.085 363 E HA -0.146 4.204 4.350 0.001 0.000 0.194 363 E C 1.681 178.312 176.600 0.051 0.000 0.994 363 E CA 1.695 58.135 56.400 0.066 0.000 0.801 363 E CB -0.383 29.365 29.700 0.080 0.000 0.743 363 E HN 0.584 nan 8.360 nan 0.000 0.453 364 T N 0.210 114.797 114.554 0.056 0.000 3.007 364 T HA -0.066 4.284 4.350 0.001 0.000 0.270 364 T C 1.736 176.448 174.700 0.021 0.000 1.107 364 T CA 0.786 62.924 62.100 0.063 0.000 1.118 364 T CB 0.113 69.044 68.868 0.106 0.000 0.889 364 T HN 0.025 nan 8.240 nan 0.000 0.506 365 V N 1.114 120.994 119.914 -0.057 0.000 2.346 365 V HA -0.005 4.116 4.120 0.001 0.000 0.244 365 V C 2.405 178.394 176.094 -0.176 0.000 1.037 365 V CA 1.097 63.302 62.300 -0.158 0.000 1.029 365 V CB -0.505 31.069 31.823 -0.415 0.000 0.663 365 V HN 0.426 nan 8.190 nan 0.000 0.454 366 L N -0.224 120.882 121.223 -0.195 0.000 2.013 366 L HA -0.213 4.128 4.340 0.001 0.000 0.212 366 L C 2.733 179.650 176.870 0.079 0.000 1.073 366 L CA 1.694 56.492 54.840 -0.070 0.000 0.753 366 L CB -0.692 41.388 42.059 0.035 0.000 0.890 366 L HN 0.374 nan 8.230 nan 0.000 0.432 367 E N -0.029 120.248 120.200 0.128 0.000 2.077 367 E HA -0.216 4.134 4.350 0.001 0.000 0.193 367 E C 1.764 178.471 176.600 0.178 0.000 0.989 367 E CA 1.347 57.876 56.400 0.215 0.000 0.800 367 E CB -0.190 29.605 29.700 0.159 0.000 0.746 367 E HN 0.521 nan 8.360 nan 0.000 0.452 368 D N 0.065 120.494 120.400 0.048 0.000 2.149 368 D HA -0.115 4.525 4.640 0.001 0.000 0.201 368 D C 2.050 178.302 176.300 -0.080 0.000 0.972 368 D CA 1.183 55.171 54.000 -0.020 0.000 0.835 368 D CB 0.129 40.915 40.800 -0.024 0.000 0.966 368 D HN 0.216 nan 8.370 nan 0.000 0.476 369 V N -0.694 119.177 119.914 -0.072 0.000 3.565 369 V HA 0.026 4.146 4.120 0.001 0.000 0.260 369 V C 2.158 178.121 176.094 -0.218 0.000 1.231 369 V CA 0.197 62.445 62.300 -0.086 0.000 1.100 369 V CB -1.160 30.688 31.823 0.041 0.000 0.807 369 V HN 0.198 nan 8.190 nan 0.000 0.454 370 Y N 4.115 124.192 120.300 -0.370 0.000 2.298 370 Y HA -0.205 4.346 4.550 0.001 0.000 0.287 370 Y C 1.827 177.451 175.900 -0.460 0.000 1.164 370 Y CA 2.151 59.873 58.100 -0.629 0.000 1.229 370 Y CB -1.518 36.059 38.460 -1.472 0.000 0.977 370 Y HN 0.550 nan 8.280 nan 0.000 0.538 371 N N -0.804 117.174 118.700 -1.202 0.000 2.336 371 N HA -0.004 4.736 4.740 0.001 0.000 0.189 371 N C 1.454 176.735 175.510 -0.383 0.000 1.113 371 N CA 0.488 53.034 53.050 -0.841 0.000 0.858 371 N CB -0.044 37.857 38.487 -0.976 0.000 0.970 371 N HN 0.365 nan 8.380 nan 0.000 0.471 372 Q N 0.870 120.494 119.800 -0.294 0.000 2.297 372 Q HA 0.265 4.605 4.340 0.001 0.000 0.203 372 Q C -0.090 175.844 176.000 -0.110 0.000 0.931 372 Q CA 0.646 56.371 55.803 -0.131 0.000 0.885 372 Q CB 0.452 29.171 28.738 -0.032 0.000 0.991 372 Q HN 0.390 nan 8.270 nan 0.000 0.498 373 L N 2.768 123.898 121.223 -0.156 0.000 2.371 373 L HA 0.392 4.732 4.340 0.001 0.000 0.262 373 L C -1.801 175.008 176.870 -0.101 0.000 1.054 373 L CA -1.474 53.277 54.840 -0.149 0.000 0.924 373 L CB 1.225 43.153 42.059 -0.218 0.000 1.295 373 L HN 0.058 nan 8.230 nan 0.000 0.441 374 P HA -0.190 nan 4.420 nan 0.000 0.223 374 P C 0.791 178.083 177.300 -0.013 0.000 1.144 374 P CA 1.119 64.214 63.100 -0.009 0.000 0.783 374 P CB 0.269 31.987 31.700 0.030 0.000 0.771 375 E N -0.409 119.749 120.200 -0.071 0.000 2.489 375 E HA -0.006 4.345 4.350 0.001 0.000 0.193 375 E C 0.493 177.079 176.600 -0.024 0.000 1.057 375 E CA -0.292 56.021 56.400 -0.144 0.000 0.866 375 E CB -0.483 29.100 29.700 -0.194 0.000 0.916 375 E HN 0.223 nan 8.360 nan 0.000 0.500 376 L N 2.206 123.453 121.223 0.041 0.000 2.325 376 L HA 0.331 4.671 4.340 0.001 0.000 0.284 376 L C -0.482 176.545 176.870 0.261 0.000 1.089 376 L CA -0.285 54.649 54.840 0.156 0.000 0.836 376 L CB 0.699 42.844 42.059 0.143 0.000 1.184 376 L HN 0.137 nan 8.230 nan 0.000 0.444 377 I N 5.227 125.918 120.570 0.202 0.000 2.410 377 I HA 0.739 4.909 4.170 0.001 0.000 0.286 377 I C 0.059 176.070 176.117 -0.176 0.000 1.009 377 I CA -0.147 61.219 61.300 0.110 0.000 1.111 377 I CB 0.987 39.037 38.000 0.082 0.000 1.262 377 I HN 0.667 nan 8.210 nan 0.000 0.443 378 G N 3.999 112.578 108.800 -0.368 0.000 2.788 378 G HA2 0.884 4.844 3.960 0.001 0.000 0.293 378 G HA3 0.884 4.844 3.960 0.001 0.000 0.293 378 G C -0.805 173.554 174.900 -0.902 0.000 1.305 378 G CA -0.597 43.770 45.100 -1.222 0.000 1.005 378 G HN 0.952 nan 8.290 nan 0.000 0.496 379 G N -1.801 106.508 108.800 -0.817 0.000 2.441 379 G HA2 0.595 4.556 3.960 0.001 0.000 0.294 379 G HA3 0.595 4.556 3.960 0.001 0.000 0.294 379 G C -1.442 173.324 174.900 -0.223 0.000 1.393 379 G CA 0.482 45.117 45.100 -0.776 0.000 0.796 379 G HN 1.319 nan 8.290 nan 0.000 0.494 380 S N -1.678 113.953 115.700 -0.116 0.000 2.588 380 S HA 0.729 5.199 4.470 0.001 0.000 0.275 380 S C -0.328 174.299 174.600 0.044 0.000 1.130 380 S CA 0.349 58.563 58.200 0.023 0.000 0.855 380 S CB 1.603 64.862 63.200 0.099 0.000 1.116 380 S HN 2.010 nan 8.310 nan 0.000 0.472 381 A N 2.662 125.472 122.820 -0.017 0.000 3.016 381 A HA 0.520 4.841 4.320 0.001 0.000 0.303 381 A C 0.331 177.873 177.584 -0.070 0.000 1.507 381 A CA 0.200 52.222 52.037 -0.025 0.000 1.196 381 A CB -1.345 17.615 19.000 -0.066 0.000 1.169 381 A HN 1.177 nan 8.150 nan 0.000 0.544 382 D N -0.027 120.344 120.400 -0.048 0.000 2.837 382 D HA -0.173 4.468 4.640 0.001 0.000 0.230 382 D C 0.008 176.247 176.300 -0.101 0.000 1.152 382 D CA 1.460 55.419 54.000 -0.067 0.000 0.736 382 D CB -1.333 39.418 40.800 -0.081 0.000 1.084 382 D HN 0.501 nan 8.370 nan 0.000 0.429 383 L N -0.713 120.450 121.223 -0.100 0.000 3.439 383 L HA 0.199 4.540 4.340 0.001 0.000 0.313 383 L C 1.823 178.671 176.870 -0.037 0.000 1.292 383 L CA 0.072 54.821 54.840 -0.152 0.000 1.020 383 L CB 0.385 42.216 42.059 -0.380 0.000 1.424 383 L HN -0.007 nan 8.230 nan 0.000 0.612 384 T N 1.272 115.843 114.554 0.029 0.000 2.653 384 T HA -0.125 4.225 4.350 0.001 0.000 0.268 384 T C -0.698 174.033 174.700 0.052 0.000 1.035 384 T CA 1.811 63.962 62.100 0.086 0.000 1.154 384 T CB -0.827 68.105 68.868 0.106 0.000 0.862 384 T HN 0.292 nan 8.240 nan 0.000 0.441 385 P HA 0.180 nan 4.420 nan 0.000 0.242 385 P C 0.845 178.198 177.300 0.088 0.000 1.197 385 P CA 0.794 63.920 63.100 0.042 0.000 0.765 385 P CB 0.167 31.884 31.700 0.029 0.000 0.936 386 S N -0.323 115.440 115.700 0.105 0.000 2.545 386 S HA 0.097 4.568 4.470 0.001 0.000 0.232 386 S C 1.607 176.363 174.600 0.260 0.000 1.070 386 S CA 0.172 58.496 58.200 0.206 0.000 0.923 386 S CB -0.351 62.971 63.200 0.202 0.000 0.806 386 S HN 0.274 nan 8.310 nan 0.000 0.506 387 N N 1.672 120.476 118.700 0.175 0.000 2.416 387 N HA 0.237 4.977 4.740 0.001 0.000 0.177 387 N C -0.236 175.387 175.510 0.187 0.000 1.036 387 N CA 0.252 53.425 53.050 0.206 0.000 0.901 387 N CB -0.096 38.488 38.487 0.162 0.000 0.976 387 N HN 0.124 nan 8.380 nan 0.000 0.444 388 L N 0.640 121.952 121.223 0.148 0.000 3.634 388 L HA -0.209 4.131 4.340 0.001 0.000 0.423 388 L C 0.321 177.275 176.870 0.139 0.000 1.253 388 L CA 0.282 55.192 54.840 0.116 0.000 0.885 388 L CB -2.568 39.559 42.059 0.112 0.000 1.789 388 L HN 0.376 nan 8.230 nan 0.000 0.904 389 T N -3.527 111.142 114.554 0.191 0.000 3.148 389 T HA 0.084 4.434 4.350 0.001 0.000 0.253 389 T C 0.831 175.740 174.700 0.348 0.000 1.134 389 T CA 0.202 62.500 62.100 0.331 0.000 1.051 389 T CB 0.224 69.364 68.868 0.452 0.000 0.959 389 T HN 0.439 nan 8.240 nan 0.000 0.525 390 R N 0.941 121.451 120.500 0.015 0.000 2.439 390 R HA 0.474 4.814 4.340 0.001 0.000 0.310 390 R C -0.814 175.331 176.300 -0.259 0.000 0.955 390 R CA -1.259 54.592 56.100 -0.415 0.000 0.853 390 R CB 1.188 30.873 30.300 -1.025 0.000 1.171 390 R HN 0.515 nan 8.270 nan 0.000 0.449 391 W N 4.472 125.653 121.300 -0.198 0.000 1.992 391 W HA 0.304 4.964 4.660 0.001 0.000 0.360 391 W C 0.636 176.989 176.519 -0.276 0.000 1.369 391 W CA -0.615 56.587 57.345 -0.237 0.000 1.403 391 W CB 0.310 29.535 29.460 -0.392 0.000 1.215 391 W HN 0.351 nan 8.180 nan 0.000 0.643 392 K N -0.019 120.414 120.400 0.055 0.000 1.967 392 K HA -0.186 4.134 4.320 0.001 0.000 0.212 392 K C 1.105 177.686 176.600 -0.032 0.000 1.044 392 K CA 1.571 57.846 56.287 -0.019 0.000 0.942 392 K CB -0.602 31.922 32.500 0.040 0.000 0.726 392 K HN 0.683 nan 8.250 nan 0.000 0.440 393 E N 1.509 121.768 120.200 0.098 0.000 2.975 393 E HA 0.070 4.420 4.350 0.001 0.000 0.301 393 E C -1.149 175.525 176.600 0.123 0.000 1.554 393 E CA -0.364 56.102 56.400 0.110 0.000 1.716 393 E CB -0.246 29.575 29.700 0.201 0.000 1.365 393 E HN 0.190 nan 8.360 nan 0.000 0.469 394 A N 1.607 124.336 122.820 -0.152 0.000 2.312 394 A HA 0.547 4.868 4.320 0.001 0.000 0.328 394 A C -0.972 176.502 177.584 -0.183 0.000 1.158 394 A CA -0.721 51.120 52.037 -0.327 0.000 0.821 394 A CB 1.079 19.331 19.000 -1.246 0.000 1.170 394 A HN 0.375 nan 8.150 nan 0.000 0.490 395 L N 1.376 122.556 121.223 -0.073 0.000 2.362 395 L HA 0.529 4.870 4.340 0.001 0.000 0.275 395 L C -1.088 175.774 176.870 -0.014 0.000 0.998 395 L CA -0.340 54.478 54.840 -0.037 0.000 0.820 395 L CB 1.680 43.748 42.059 0.016 0.000 1.270 395 L HN 0.656 nan 8.230 nan 0.000 0.415 396 D N 3.103 123.490 120.400 -0.022 0.000 2.382 396 D HA 0.106 4.747 4.640 0.001 0.000 0.245 396 D C -0.758 175.556 176.300 0.024 0.000 1.120 396 D CA 0.441 54.459 54.000 0.031 0.000 0.890 396 D CB 0.558 41.364 40.800 0.009 0.000 1.201 396 D HN 0.361 nan 8.370 nan 0.000 0.433 397 F N 3.247 123.149 119.950 -0.080 0.000 2.438 397 F HA 0.194 4.722 4.527 0.000 0.000 0.360 397 F C -0.144 175.590 175.800 -0.110 0.000 1.118 397 F CA 0.287 58.242 58.000 -0.075 0.000 1.164 397 F CB 0.050 38.995 39.000 -0.092 0.000 1.131 397 F HN 0.083 nan 8.300 nan 0.000 0.527 398 Q N 6.084 125.524 119.800 -0.600 0.000 2.590 398 Q HA 0.372 4.712 4.340 0.001 0.000 0.295 398 Q C -2.845 172.576 176.000 -0.965 0.000 0.973 398 Q CA -2.108 53.360 55.803 -0.558 0.000 0.768 398 Q CB 1.892 30.454 28.738 -0.294 0.000 1.479 398 Q HN 0.306 nan 8.270 nan 0.000 0.419 399 P HA 0.145 nan 4.420 nan 0.000 0.275 399 P C -1.968 174.935 177.300 -0.661 0.000 1.227 399 P CA -1.063 61.438 63.100 -0.998 0.000 0.781 399 P CB 0.274 31.642 31.700 -0.554 0.000 0.906 400 P HA -0.217 nan 4.420 nan 0.000 0.217 400 P C 1.121 178.280 177.300 -0.235 0.000 1.148 400 P CA 1.798 64.703 63.100 -0.325 0.000 0.834 400 P CB -0.332 31.236 31.700 -0.220 0.000 0.783 401 S N -1.223 114.340 115.700 -0.228 0.000 2.515 401 S HA -0.094 4.376 4.470 0.001 0.000 0.231 401 S C 1.957 176.460 174.600 -0.163 0.000 0.987 401 S CA 0.978 59.078 58.200 -0.165 0.000 0.936 401 S CB -1.317 61.797 63.200 -0.142 0.000 0.766 401 S HN 0.269 nan 8.310 nan 0.000 0.528 402 S N 1.833 117.407 115.700 -0.210 0.000 2.382 402 S HA 0.173 4.644 4.470 0.001 0.000 0.228 402 S C 1.980 176.507 174.600 -0.122 0.000 1.027 402 S CA 1.005 59.101 58.200 -0.172 0.000 0.991 402 S CB -1.308 61.768 63.200 -0.208 0.000 0.823 402 S HN 1.396 nan 8.310 nan 0.000 0.469 403 G N 0.635 109.358 108.800 -0.128 0.000 2.162 403 G HA2 -0.288 3.672 3.960 0.001 0.000 0.260 403 G HA3 -0.288 3.672 3.960 0.001 0.000 0.260 403 G C 0.677 175.526 174.900 -0.086 0.000 0.976 403 G CA 0.772 45.815 45.100 -0.095 0.000 0.655 403 G HN 1.564 nan 8.290 nan 0.000 0.533 404 S N -1.102 114.538 115.700 -0.100 0.000 2.730 404 S HA 0.658 5.128 4.470 0.001 0.000 0.244 404 S C 0.934 175.475 174.600 -0.098 0.000 1.022 404 S CA 0.666 58.816 58.200 -0.082 0.000 1.014 404 S CB 1.353 64.517 63.200 -0.060 0.000 0.963 404 S HN 2.211 nan 8.310 nan 0.000 0.540 405 G N 1.383 110.104 108.800 -0.133 0.000 2.345 405 G HA2 0.402 4.362 3.960 0.001 0.000 0.285 405 G HA3 0.402 4.362 3.960 0.001 0.000 0.285 405 G C -2.160 172.604 174.900 -0.228 0.000 1.297 405 G CA -0.276 44.735 45.100 -0.149 0.000 0.875 405 G HN 0.749 nan 8.290 nan 0.000 0.506 406 N N -3.116 115.423 118.700 -0.268 0.000 3.116 406 N HA 0.379 5.120 4.740 0.001 0.000 0.244 406 N C -0.033 175.225 175.510 -0.419 0.000 1.485 406 N CA -0.897 51.923 53.050 -0.384 0.000 0.884 406 N CB 0.143 38.494 38.487 -0.227 0.000 1.415 406 N HN 0.368 nan 8.380 nan 0.000 0.524 407 Y N -0.296 119.776 120.300 -0.381 0.000 2.569 407 Y HA -0.056 4.494 4.550 0.001 0.000 0.293 407 Y C 2.358 178.231 175.900 -0.044 0.000 1.144 407 Y CA 1.346 59.183 58.100 -0.438 0.000 1.321 407 Y CB -0.546 37.723 38.460 -0.319 0.000 0.982 407 Y HN 0.724 nan 8.280 nan 0.000 0.558 408 S N -1.007 114.756 115.700 0.105 0.000 2.461 408 S HA 0.096 4.566 4.470 0.001 0.000 0.228 408 S C 1.544 176.249 174.600 0.175 0.000 1.005 408 S CA 0.164 58.439 58.200 0.124 0.000 0.942 408 S CB -0.781 62.447 63.200 0.047 0.000 0.776 408 S HN 0.283 nan 8.310 nan 0.000 0.514 409 G N 1.078 109.972 108.800 0.157 0.000 2.647 409 G HA2 0.293 4.253 3.960 0.001 0.000 0.234 409 G HA3 0.293 4.253 3.960 0.001 0.000 0.234 409 G C 0.355 175.422 174.900 0.279 0.000 1.252 409 G CA -0.739 44.470 45.100 0.182 0.000 0.846 409 G HN 0.547 nan 8.290 nan 0.000 0.589 410 R N -0.125 120.516 120.500 0.235 0.000 2.565 410 R HA 0.128 4.468 4.340 0.001 0.000 0.347 410 R C -0.867 175.483 176.300 0.084 0.000 1.010 410 R CA -0.356 55.881 56.100 0.229 0.000 1.126 410 R CB 0.742 31.294 30.300 0.420 0.000 1.331 410 R HN 0.503 nan 8.270 nan 0.000 0.552 411 Y N 1.384 121.599 120.300 -0.142 0.000 2.341 411 Y HA 0.473 5.023 4.550 0.000 0.000 0.338 411 Y C -0.580 175.196 175.900 -0.206 0.000 0.965 411 Y CA -1.310 56.615 58.100 -0.291 0.000 1.108 411 Y CB 0.880 39.082 38.460 -0.430 0.000 1.180 411 Y HN -0.101 nan 8.280 nan 0.000 0.458 412 I N 6.512 126.560 120.570 -0.870 0.000 2.412 412 I HA 0.477 4.647 4.170 0.001 0.000 0.296 412 I C -0.402 175.227 176.117 -0.813 0.000 0.987 412 I CA -1.101 59.750 61.300 -0.748 0.000 1.180 412 I CB 1.276 38.693 38.000 -0.970 0.000 1.340 412 I HN 0.384 nan 8.210 nan 0.000 0.455 413 R N 5.828 126.034 120.500 -0.489 0.000 2.346 413 R HA 0.215 4.555 4.340 0.001 0.000 0.309 413 R C -0.222 175.898 176.300 -0.301 0.000 1.119 413 R CA -0.449 55.474 56.100 -0.294 0.000 1.112 413 R CB 0.166 30.377 30.300 -0.148 0.000 1.132 413 R HN 0.637 nan 8.270 nan 0.000 0.538 414 Y N 0.889 121.067 120.300 -0.203 0.000 2.439 414 Y HA -0.023 4.527 4.550 0.000 0.000 0.292 414 Y C 1.846 177.660 175.900 -0.143 0.000 1.130 414 Y CA 1.276 59.273 58.100 -0.171 0.000 1.254 414 Y CB 0.149 38.499 38.460 -0.184 0.000 1.000 414 Y HN 0.856 nan 8.280 nan 0.000 0.554 415 G N 0.461 109.261 108.800 0.000 0.000 2.725 415 G HA2 -0.272 3.689 3.960 0.001 0.000 0.220 415 G HA3 -0.272 3.689 3.960 0.001 0.000 0.220 415 G C -0.694 174.188 174.900 -0.031 0.000 1.357 415 G CA -0.516 44.559 45.100 -0.043 0.000 0.866 415 G HN 0.062 nan 8.290 nan 0.000 0.548 416 I N 1.729 122.268 120.570 -0.052 0.000 2.270 416 I HA 0.331 4.502 4.170 0.001 0.000 0.294 416 I C 1.162 177.258 176.117 -0.034 0.000 1.164 416 I CA 0.540 61.797 61.300 -0.071 0.000 1.680 416 I CB -0.178 37.766 38.000 -0.093 0.000 1.494 416 I HN 0.369 nan 8.210 nan 0.000 0.767 417 R N 3.263 123.758 120.500 -0.008 0.000 2.653 417 R HA 0.226 4.566 4.340 0.001 0.000 0.269 417 R C 0.511 176.838 176.300 0.044 0.000 1.603 417 R CA -0.291 55.827 56.100 0.030 0.000 1.671 417 R CB 0.523 30.840 30.300 0.029 0.000 1.300 417 R HN 0.228 nan 8.270 nan 0.000 0.668 418 E N 0.114 120.370 120.200 0.094 0.000 2.110 418 E HA -0.195 4.156 4.350 0.001 0.000 0.193 418 E C 1.404 178.179 176.600 0.292 0.000 0.988 418 E CA 1.353 57.861 56.400 0.180 0.000 0.804 418 E CB -0.031 29.803 29.700 0.223 0.000 0.745 418 E HN 0.532 nan 8.360 nan 0.000 0.458 419 H N -0.807 118.361 119.070 0.163 0.000 2.395 419 H HA 0.056 4.613 4.556 0.000 0.000 0.299 419 H C 1.944 177.318 175.328 0.076 0.000 1.070 419 H CA 0.762 56.895 56.048 0.141 0.000 1.356 419 H CB 0.187 30.009 29.762 0.100 0.000 1.401 419 H HN 0.239 nan 8.280 nan 0.000 0.524 420 A N 0.705 123.604 122.820 0.131 0.000 1.930 420 A HA -0.161 4.159 4.320 0.001 0.000 0.217 420 A C 2.390 179.947 177.584 -0.044 0.000 1.175 420 A CA 1.287 53.332 52.037 0.015 0.000 0.627 420 A CB -0.640 18.364 19.000 0.007 0.000 0.815 420 A HN 0.544 nan 8.150 nan 0.000 0.443 421 M N -0.154 119.345 119.600 -0.169 0.000 2.080 421 M HA -0.109 4.371 4.480 0.001 0.000 0.260 421 M C 2.087 178.149 176.300 -0.396 0.000 1.068 421 M CA 1.945 56.871 55.300 -0.623 0.000 1.109 421 M CB -0.469 31.550 32.600 -0.968 0.000 1.342 421 M HN 0.405 nan 8.290 nan 0.000 0.405 422 G N -0.454 108.316 108.800 -0.050 0.000 2.459 422 G HA2 -0.226 3.734 3.960 0.001 0.000 0.217 422 G HA3 -0.226 3.734 3.960 0.001 0.000 0.217 422 G C 1.458 176.406 174.900 0.080 0.000 1.183 422 G CA 1.034 46.253 45.100 0.198 0.000 0.776 422 G HN 0.639 nan 8.290 nan 0.000 0.552 423 A N 0.189 123.053 122.820 0.072 0.000 1.968 423 A HA 0.201 4.521 4.320 0.001 0.000 0.217 423 A C 2.380 179.926 177.584 -0.064 0.000 1.169 423 A CA 0.984 53.026 52.037 0.008 0.000 0.638 423 A CB -0.235 18.759 19.000 -0.010 0.000 0.812 423 A HN 0.388 nan 8.150 nan 0.000 0.446 424 I N -0.772 119.752 120.570 -0.076 0.000 2.286 424 I HA -0.248 3.922 4.170 0.001 0.000 0.245 424 I C 2.630 178.667 176.117 -0.134 0.000 1.104 424 I CA 1.202 62.454 61.300 -0.080 0.000 1.397 424 I CB -0.243 37.770 38.000 0.022 0.000 1.072 424 I HN 0.312 nan 8.210 nan 0.000 0.417 425 M N 0.025 119.520 119.600 -0.175 0.000 2.175 425 M HA -0.177 4.303 4.480 0.001 0.000 0.264 425 M C 1.938 178.123 176.300 -0.192 0.000 1.063 425 M CA 1.470 56.649 55.300 -0.201 0.000 1.119 425 M CB -0.598 31.827 32.600 -0.293 0.000 1.377 425 M HN 0.234 nan 8.290 nan 0.000 0.415 426 N N 0.731 119.320 118.700 -0.185 0.000 2.104 426 N HA -0.100 4.640 4.740 0.001 0.000 0.190 426 N C 1.790 177.040 175.510 -0.434 0.000 1.024 426 N CA 1.694 54.556 53.050 -0.314 0.000 0.853 426 N CB -0.695 37.665 38.487 -0.212 0.000 1.008 426 N HN 0.438 nan 8.380 nan 0.000 0.424 427 G N 0.787 109.425 108.800 -0.270 0.000 2.408 427 G HA2 -0.121 3.840 3.960 0.001 0.000 0.217 427 G HA3 -0.121 3.840 3.960 0.001 0.000 0.217 427 G C 1.683 176.465 174.900 -0.197 0.000 1.150 427 G CA 0.260 45.229 45.100 -0.219 0.000 0.776 427 G HN 0.257 nan 8.290 nan 0.000 0.542 428 I N 0.581 121.013 120.570 -0.229 0.000 2.142 428 I HA -0.180 3.991 4.170 0.001 0.000 0.240 428 I C 2.998 179.030 176.117 -0.141 0.000 1.078 428 I CA 1.300 62.430 61.300 -0.283 0.000 1.343 428 I CB -0.358 37.460 38.000 -0.304 0.000 1.046 428 I HN 0.234 nan 8.210 nan 0.000 0.405 429 S N 0.531 116.163 115.700 -0.114 0.000 2.359 429 S HA -0.215 4.256 4.470 0.001 0.000 0.224 429 S C 2.134 176.728 174.600 -0.011 0.000 1.035 429 S CA 1.657 59.838 58.200 -0.032 0.000 1.018 429 S CB -0.248 62.902 63.200 -0.082 0.000 0.876 429 S HN 0.499 nan 8.310 nan 0.000 0.448 430 A N 0.056 122.788 122.820 -0.148 0.000 2.121 430 A HA 0.044 4.365 4.320 0.001 0.000 0.218 430 A C 1.829 179.461 177.584 0.080 0.000 1.154 430 A CA 1.156 53.176 52.037 -0.029 0.000 0.679 430 A CB -0.866 18.027 19.000 -0.178 0.000 0.795 430 A HN 0.679 nan 8.150 nan 0.000 0.458 431 F N 0.431 120.328 119.950 -0.088 0.000 2.126 431 F HA 0.224 4.751 4.527 0.001 0.000 0.299 431 F C 1.344 177.143 175.800 -0.003 0.000 1.096 431 F CA 1.580 59.525 58.000 -0.092 0.000 1.255 431 F CB -0.243 38.623 39.000 -0.223 0.000 0.997 431 F HN 0.547 nan 8.300 nan 0.000 0.479 432 G N -1.168 107.641 108.800 0.015 0.000 2.337 432 G HA2 0.334 4.294 3.960 0.001 0.000 0.197 432 G HA3 0.334 4.294 3.960 0.001 0.000 0.197 432 G C 0.400 175.415 174.900 0.191 0.000 1.238 432 G CA 0.247 45.326 45.100 -0.034 0.000 1.119 432 G HN 1.314 nan 8.290 nan 0.000 0.514 433 A N -1.073 121.773 122.820 0.042 0.000 2.799 433 A HA -0.030 4.290 4.320 0.001 0.000 0.287 433 A C 1.533 179.097 177.584 -0.034 0.000 1.484 433 A CA 2.125 54.178 52.037 0.026 0.000 0.813 433 A CB -1.849 17.213 19.000 0.104 0.000 1.009 433 A HN 2.897 nan 8.150 nan 0.000 0.545 434 N N -3.626 115.085 118.700 0.019 0.000 2.713 434 N HA -0.229 4.511 4.740 0.001 0.000 0.251 434 N C -0.180 175.325 175.510 -0.008 0.000 1.117 434 N CA 1.704 54.749 53.050 -0.007 0.000 0.770 434 N CB -2.027 36.428 38.487 -0.054 0.000 1.137 434 N HN 0.854 nan 8.380 nan 0.000 0.566 435 Y N 0.498 120.823 120.300 0.042 0.000 2.903 435 Y HA -0.016 4.534 4.550 0.001 0.000 0.338 435 Y C 1.138 177.043 175.900 0.009 0.000 1.265 435 Y CA 0.753 58.873 58.100 0.034 0.000 1.532 435 Y CB 0.552 39.038 38.460 0.043 0.000 1.293 435 Y HN -0.103 nan 8.280 nan 0.000 0.609 436 K N 5.347 125.842 120.400 0.157 0.000 2.687 436 K HA 0.278 4.598 4.320 0.001 0.000 0.197 436 K C -2.928 173.752 176.600 0.133 0.000 1.049 436 K CA -1.764 54.586 56.287 0.106 0.000 1.030 436 K CB 1.099 33.629 32.500 0.049 0.000 1.261 436 K HN 0.356 nan 8.250 nan 0.000 0.565 437 P HA 0.213 nan 4.420 nan 0.000 0.281 437 P C -0.995 176.325 177.300 0.032 0.000 1.249 437 P CA -0.324 62.774 63.100 -0.003 0.000 0.810 437 P CB 0.557 32.205 31.700 -0.086 0.000 1.008 438 Y N -1.314 118.959 120.300 -0.044 0.000 2.504 438 Y HA 0.788 5.338 4.550 0.000 0.000 0.344 438 Y C -0.781 175.018 175.900 -0.168 0.000 1.023 438 Y CA -1.326 56.721 58.100 -0.087 0.000 1.020 438 Y CB 1.208 39.700 38.460 0.053 0.000 1.282 438 Y HN 0.563 nan 8.280 nan 0.000 0.454 439 G N 0.688 109.360 108.800 -0.214 0.000 2.566 439 G HA2 0.585 4.546 3.960 0.001 0.000 0.311 439 G HA3 0.585 4.546 3.960 0.001 0.000 0.311 439 G C -1.028 173.778 174.900 -0.158 0.000 1.322 439 G CA -0.757 44.121 45.100 -0.372 0.000 0.969 439 G HN 1.092 nan 8.290 nan 0.000 0.490 440 G N -0.917 107.873 108.800 -0.017 0.000 2.417 440 G HA2 0.769 4.730 3.960 0.001 0.000 0.334 440 G HA3 0.769 4.730 3.960 0.001 0.000 0.334 440 G C -0.576 174.359 174.900 0.058 0.000 1.150 440 G CA -0.072 45.087 45.100 0.099 0.000 0.923 440 G HN 1.083 nan 8.290 nan 0.000 0.485 441 T N -0.960 113.665 114.554 0.119 0.000 2.652 441 T HA 0.413 4.764 4.350 0.001 0.000 0.303 441 T C -1.668 173.129 174.700 0.162 0.000 1.738 441 T CA -0.680 61.450 62.100 0.049 0.000 0.969 441 T CB 0.290 69.258 68.868 0.168 0.000 1.778 441 T HN 0.269 nan 8.240 nan 0.000 0.494 442 F N 2.932 122.955 119.950 0.121 0.000 2.456 442 F HA 0.367 4.894 4.527 0.000 0.000 0.358 442 F C 1.537 177.327 175.800 -0.016 0.000 1.095 442 F CA -1.342 56.677 58.000 0.031 0.000 1.216 442 F CB 0.701 39.674 39.000 -0.045 0.000 1.125 442 F HN 0.554 nan 8.300 nan 0.000 0.549 443 L N 3.353 124.687 121.223 0.187 0.000 2.103 443 L HA -0.307 4.034 4.340 0.001 0.000 0.215 443 L C 1.904 178.746 176.870 -0.047 0.000 1.080 443 L CA 1.996 56.865 54.840 0.050 0.000 0.764 443 L CB -0.929 41.150 42.059 0.033 0.000 0.890 443 L HN 0.703 nan 8.230 nan 0.000 0.435 444 N N -1.534 117.045 118.700 -0.202 0.000 2.459 444 N HA -0.130 4.610 4.740 0.001 0.000 0.181 444 N C 1.091 176.371 175.510 -0.383 0.000 1.046 444 N CA 0.914 53.753 53.050 -0.353 0.000 0.904 444 N CB -0.109 38.026 38.487 -0.587 0.000 0.964 444 N HN 0.412 nan 8.380 nan 0.000 0.444 445 F N -1.034 118.929 119.950 0.022 0.000 2.695 445 F HA 0.274 4.802 4.527 0.000 0.000 0.303 445 F C 1.789 177.576 175.800 -0.021 0.000 1.091 445 F CA -0.223 57.728 58.000 -0.081 0.000 1.300 445 F CB -0.303 38.558 39.000 -0.231 0.000 1.071 445 F HN -0.124 nan 8.300 nan 0.000 0.578 446 V N -0.880 119.076 119.914 0.069 0.000 2.594 446 V HA -0.242 3.878 4.120 0.001 0.000 0.253 446 V C 2.198 178.255 176.094 -0.061 0.000 1.069 446 V CA 1.971 64.153 62.300 -0.196 0.000 1.082 446 V CB -0.937 30.638 31.823 -0.414 0.000 0.680 446 V HN 0.284 nan 8.190 nan 0.000 0.469 447 S N -1.115 114.675 115.700 0.150 0.000 2.440 447 S HA -0.202 4.269 4.470 0.001 0.000 0.238 447 S C 1.756 176.479 174.600 0.206 0.000 1.010 447 S CA 1.344 59.674 58.200 0.217 0.000 0.972 447 S CB -0.417 62.909 63.200 0.211 0.000 0.774 447 S HN 0.632 nan 8.310 nan 0.000 0.501 448 Y N 0.874 121.191 120.300 0.027 0.000 2.509 448 Y HA 0.211 4.761 4.550 0.000 0.000 0.293 448 Y C 2.019 177.805 175.900 -0.191 0.000 1.133 448 Y CA -0.043 58.043 58.100 -0.022 0.000 1.283 448 Y CB -0.270 38.218 38.460 0.048 0.000 1.001 448 Y HN 0.271 nan 8.280 nan 0.000 0.555 449 A N -1.257 121.519 122.820 -0.073 0.000 2.465 449 A HA 0.533 4.853 4.320 0.001 0.000 0.255 449 A C 2.088 179.500 177.584 -0.286 0.000 1.274 449 A CA 0.518 52.392 52.037 -0.272 0.000 0.920 449 A CB -0.647 18.369 19.000 0.025 0.000 1.033 449 A HN 0.217 nan 8.150 nan 0.000 0.516 450 A N -0.025 122.693 122.820 -0.171 0.000 2.032 450 A HA 0.028 4.348 4.320 0.001 0.000 0.221 450 A C 2.205 179.780 177.584 -0.015 0.000 1.165 450 A CA 1.918 53.953 52.037 -0.002 0.000 0.645 450 A CB -0.929 18.107 19.000 0.060 0.000 0.807 450 A HN 0.767 nan 8.150 nan 0.000 0.453 451 G N -0.909 107.816 108.800 -0.126 0.000 2.422 451 G HA2 0.045 4.005 3.960 0.001 0.000 0.218 451 G HA3 0.045 4.005 3.960 0.001 0.000 0.218 451 G C 1.581 176.642 174.900 0.267 0.000 1.146 451 G CA 1.303 46.489 45.100 0.145 0.000 0.769 451 G HN 0.801 nan 8.290 nan 0.000 0.547 452 A N -0.211 122.801 122.820 0.320 0.000 1.956 452 A HA 0.354 4.674 4.320 0.001 0.000 0.212 452 A C 2.462 180.167 177.584 0.202 0.000 1.188 452 A CA 1.040 53.249 52.037 0.287 0.000 0.675 452 A CB -0.206 19.024 19.000 0.384 0.000 0.845 452 A HN 0.168 nan 8.150 nan 0.000 0.455 453 V N 0.490 120.492 119.914 0.147 0.000 2.392 453 V HA -0.258 3.862 4.120 0.001 0.000 0.249 453 V C 2.596 178.757 176.094 0.110 0.000 1.059 453 V CA 2.272 64.628 62.300 0.095 0.000 1.051 453 V CB -0.819 30.957 31.823 -0.078 0.000 0.658 453 V HN 0.641 nan 8.190 nan 0.000 0.455 454 R N -0.224 120.348 120.500 0.119 0.000 2.096 454 R HA -0.103 4.238 4.340 0.001 0.000 0.235 454 R C 2.199 178.549 176.300 0.084 0.000 1.127 454 R CA 1.438 57.597 56.100 0.098 0.000 0.968 454 R CB -0.196 30.155 30.300 0.086 0.000 0.861 454 R HN 0.452 nan 8.270 nan 0.000 0.440 455 L N 0.227 121.511 121.223 0.102 0.000 2.291 455 L HA -0.065 4.276 4.340 0.001 0.000 0.214 455 L C 2.156 179.079 176.870 0.089 0.000 1.120 455 L CA 0.793 55.690 54.840 0.095 0.000 0.799 455 L CB -0.078 42.051 42.059 0.116 0.000 0.925 455 L HN 0.214 nan 8.230 nan 0.000 0.446 456 S N 0.207 115.981 115.700 0.124 0.000 2.406 456 S HA -0.084 4.387 4.470 0.001 0.000 0.228 456 S C 2.170 176.778 174.600 0.014 0.000 1.020 456 S CA 1.030 59.306 58.200 0.125 0.000 0.965 456 S CB -0.123 63.176 63.200 0.165 0.000 0.798 456 S HN 0.489 nan 8.310 nan 0.000 0.488 457 A N 1.597 124.431 122.820 0.024 0.000 1.855 457 A HA 0.181 4.501 4.320 0.001 0.000 0.213 457 A C 2.111 179.697 177.584 0.003 0.000 1.195 457 A CA 0.863 52.903 52.037 0.005 0.000 0.610 457 A CB -0.837 18.175 19.000 0.019 0.000 0.837 457 A HN 0.399 nan 8.150 nan 0.000 0.444 458 L N -0.083 121.149 121.223 0.015 0.000 2.042 458 L HA -0.194 4.147 4.340 0.001 0.000 0.210 458 L C 2.463 179.333 176.870 0.001 0.000 1.076 458 L CA 2.262 57.116 54.840 0.023 0.000 0.749 458 L CB -0.079 42.004 42.059 0.041 0.000 0.893 458 L HN 0.348 nan 8.230 nan 0.000 0.432 459 S N -0.843 114.803 115.700 -0.090 0.000 2.439 459 S HA 0.208 4.678 4.470 0.001 0.000 0.224 459 S C 1.080 175.543 174.600 -0.228 0.000 1.029 459 S CA 0.569 58.651 58.200 -0.196 0.000 0.946 459 S CB 0.294 63.122 63.200 -0.620 0.000 0.797 459 S HN 0.713 nan 8.310 nan 0.000 0.504 460 G N 2.535 111.196 108.800 -0.232 0.000 2.414 460 G HA2 -0.159 3.801 3.960 0.001 0.000 0.256 460 G HA3 -0.159 3.801 3.960 0.001 0.000 0.256 460 G C -0.573 174.246 174.900 -0.136 0.000 1.128 460 G CA -0.604 44.450 45.100 -0.075 0.000 0.944 460 G HN 0.509 nan 8.290 nan 0.000 0.500 461 H N 0.421 119.447 119.070 -0.074 0.000 2.640 461 H HA 0.297 4.853 4.556 0.001 0.000 0.297 461 H C -2.070 173.234 175.328 -0.039 0.000 1.073 461 H CA -1.918 54.058 56.048 -0.119 0.000 1.305 461 H CB 1.741 31.392 29.762 -0.184 0.000 1.404 461 H HN 0.192 nan 8.280 nan 0.000 0.459 462 P HA -0.035 nan 4.420 nan 0.000 0.235 462 P C 0.169 177.505 177.300 0.060 0.000 1.765 462 P CA -0.089 63.045 63.100 0.058 0.000 1.034 462 P CB -0.381 31.340 31.700 0.035 0.000 1.984 463 V N 0.394 120.350 119.914 0.070 0.000 2.716 463 V HA 0.521 4.641 4.120 0.001 0.000 0.304 463 V C 0.145 176.278 176.094 0.064 0.000 1.053 463 V CA -1.021 61.303 62.300 0.039 0.000 0.984 463 V CB 1.685 33.502 31.823 -0.010 0.000 1.021 463 V HN 0.040 nan 8.190 nan 0.000 0.467 464 I N 2.636 123.226 120.570 0.033 0.000 2.378 464 I HA 0.393 4.563 4.170 0.001 0.000 0.291 464 I C -1.064 175.060 176.117 0.011 0.000 0.992 464 I CA -0.129 61.214 61.300 0.071 0.000 1.154 464 I CB 1.600 39.657 38.000 0.096 0.000 1.315 464 I HN 0.669 nan 8.210 nan 0.000 0.448 465 W N 5.675 126.968 121.300 -0.012 0.000 2.314 465 W HA 0.448 5.108 4.660 0.000 0.000 0.310 465 W C -0.430 176.090 176.519 0.002 0.000 1.075 465 W CA -0.542 56.790 57.345 -0.021 0.000 1.253 465 W CB 1.519 30.913 29.460 -0.111 0.000 1.238 465 W HN 0.094 nan 8.180 nan 0.000 0.440 466 V N 4.843 124.894 119.914 0.229 0.000 2.284 466 V HA 0.390 4.510 4.120 0.001 0.000 0.260 466 V C 0.375 176.605 176.094 0.228 0.000 1.084 466 V CA -0.764 61.652 62.300 0.192 0.000 0.894 466 V CB -0.048 31.896 31.823 0.201 0.000 1.119 466 V HN 0.590 nan 8.190 nan 0.000 0.484 467 A N 4.153 127.098 122.820 0.207 0.000 2.478 467 A HA 0.604 4.925 4.320 0.001 0.000 0.327 467 A C 0.802 178.517 177.584 0.218 0.000 1.431 467 A CA -0.280 51.883 52.037 0.210 0.000 1.014 467 A CB 0.018 19.098 19.000 0.133 0.000 1.143 467 A HN 0.779 nan 8.150 nan 0.000 0.532 468 T N -0.458 114.285 114.554 0.315 0.000 2.754 468 T HA 0.405 4.755 4.350 0.001 0.000 0.286 468 T C 0.324 175.295 174.700 0.451 0.000 0.997 468 T CA 0.122 62.460 62.100 0.398 0.000 0.982 468 T CB -0.008 69.210 68.868 0.582 0.000 1.027 468 T HN 0.858 nan 8.240 nan 0.000 0.529 469 H N -0.111 119.005 119.070 0.077 0.000 2.756 469 H HA -0.096 4.460 4.556 0.000 0.000 0.315 469 H C 0.763 176.044 175.328 -0.078 0.000 1.210 469 H CA 0.822 56.828 56.048 -0.069 0.000 1.150 469 H CB -2.036 27.526 29.762 -0.333 0.000 1.463 469 H HN 0.854 nan 8.280 nan 0.000 0.427 470 D N -0.778 119.639 120.400 0.028 0.000 2.403 470 D HA -0.055 4.586 4.640 0.001 0.000 0.227 470 D C 0.968 177.237 176.300 -0.052 0.000 0.995 470 D CA 1.103 55.103 54.000 -0.001 0.000 0.928 470 D CB 0.246 41.056 40.800 0.015 0.000 0.887 470 D HN 0.591 nan 8.370 nan 0.000 0.529 471 S N -0.741 114.910 115.700 -0.082 0.000 2.715 471 S HA 0.179 4.650 4.470 0.001 0.000 0.284 471 S C 0.874 175.366 174.600 -0.180 0.000 1.216 471 S CA -0.338 57.773 58.200 -0.148 0.000 0.970 471 S CB -0.475 62.621 63.200 -0.173 0.000 1.273 471 S HN 0.107 nan 8.310 nan 0.000 0.509 472 I N -0.139 120.247 120.570 -0.306 0.000 3.369 472 I HA 0.323 4.493 4.170 0.001 0.000 0.288 472 I C 1.520 177.479 176.117 -0.263 0.000 1.321 472 I CA 0.865 61.975 61.300 -0.316 0.000 1.358 472 I CB -1.096 36.621 38.000 -0.472 0.000 1.038 472 I HN 0.677 nan 8.210 nan 0.000 0.516 473 G N 0.985 109.702 108.800 -0.138 0.000 2.744 473 G HA2 -0.019 3.941 3.960 0.001 0.000 0.211 473 G HA3 -0.019 3.941 3.960 0.001 0.000 0.211 473 G C 1.451 176.356 174.900 0.008 0.000 1.143 473 G CA 0.383 45.546 45.100 0.106 0.000 0.788 473 G HN 0.345 nan 8.290 nan 0.000 0.534 474 V N 0.692 120.572 119.914 -0.056 0.000 2.343 474 V HA 0.130 4.250 4.120 0.001 0.000 0.247 474 V C 2.343 178.425 176.094 -0.019 0.000 1.051 474 V CA 1.898 64.168 62.300 -0.050 0.000 1.036 474 V CB -0.953 30.836 31.823 -0.056 0.000 0.654 474 V HN 0.802 nan 8.190 nan 0.000 0.451 475 G N -0.301 108.491 108.800 -0.013 0.000 2.527 475 G HA2 -0.367 3.594 3.960 0.001 0.000 0.262 475 G HA3 -0.367 3.594 3.960 0.001 0.000 0.262 475 G C 0.564 175.457 174.900 -0.011 0.000 1.153 475 G CA 0.417 45.521 45.100 0.007 0.000 0.954 475 G HN 0.334 nan 8.290 nan 0.000 0.552 476 E N 0.790 120.982 120.200 -0.014 0.000 2.187 476 E HA -0.064 4.286 4.350 0.001 0.000 0.199 476 E C 1.927 178.490 176.600 -0.062 0.000 1.004 476 E CA 1.556 57.938 56.400 -0.030 0.000 0.813 476 E CB -0.192 29.494 29.700 -0.023 0.000 0.736 476 E HN 0.467 nan 8.360 nan 0.000 0.468 477 D N -0.344 119.999 120.400 -0.096 0.000 2.265 477 D HA -0.024 4.616 4.640 0.001 0.000 0.208 477 D C 1.046 177.257 176.300 -0.147 0.000 0.977 477 D CA 1.317 55.193 54.000 -0.208 0.000 0.871 477 D CB -0.311 40.282 40.800 -0.345 0.000 0.925 477 D HN 0.259 nan 8.370 nan 0.000 0.485 478 G N 0.190 108.958 108.800 -0.053 0.000 2.760 478 G HA2 -0.206 3.754 3.960 0.001 0.000 0.246 478 G HA3 -0.206 3.754 3.960 0.001 0.000 0.246 478 G C -1.774 173.157 174.900 0.051 0.000 1.359 478 G CA -0.143 44.958 45.100 0.002 0.000 0.861 478 G HN -0.001 nan 8.290 nan 0.000 0.541 479 P HA -0.164 nan 4.420 nan 0.000 0.220 479 P C 1.781 179.118 177.300 0.061 0.000 1.144 479 P CA 2.721 65.866 63.100 0.076 0.000 0.800 479 P CB -0.405 31.337 31.700 0.069 0.000 0.772 480 T N -4.870 109.763 114.554 0.132 0.000 3.023 480 T HA -0.079 4.271 4.350 0.001 0.000 0.266 480 T C 1.266 176.066 174.700 0.167 0.000 1.093 480 T CA 1.047 63.258 62.100 0.184 0.000 1.129 480 T CB -0.898 68.152 68.868 0.303 0.000 0.899 480 T HN 0.194 nan 8.240 nan 0.000 0.491 481 H N 0.321 119.366 119.070 -0.041 0.000 2.755 481 H HA 0.444 5.001 4.556 0.001 0.000 0.273 481 H C 0.140 175.333 175.328 -0.225 0.000 1.055 481 H CA -0.447 55.496 56.048 -0.175 0.000 1.191 481 H CB 0.303 29.994 29.762 -0.119 0.000 1.536 481 H HN 0.433 nan 8.280 nan 0.000 0.529 482 Q N 1.670 121.454 119.800 -0.027 0.000 2.340 482 Q HA 0.295 4.636 4.340 0.001 0.000 0.259 482 Q C -2.538 173.419 176.000 -0.072 0.000 0.964 482 Q CA -2.142 53.620 55.803 -0.069 0.000 0.900 482 Q CB 1.874 30.582 28.738 -0.050 0.000 1.228 482 Q HN 0.117 nan 8.270 nan 0.000 0.449 483 P HA 0.094 nan 4.420 nan 0.000 0.274 483 P C -0.214 177.038 177.300 -0.080 0.000 1.231 483 P CA 0.014 63.068 63.100 -0.077 0.000 0.790 483 P CB 0.967 32.620 31.700 -0.078 0.000 0.951 484 I N 0.979 121.515 120.570 -0.057 0.000 4.676 484 I HA 0.010 4.180 4.170 0.001 0.000 0.306 484 I C 1.505 177.571 176.117 -0.085 0.000 1.178 484 I CA 0.561 61.797 61.300 -0.106 0.000 1.335 484 I CB -0.237 37.681 38.000 -0.136 0.000 1.541 484 I HN 0.385 nan 8.210 nan 0.000 0.469 485 E N 1.280 121.450 120.200 -0.050 0.000 2.498 485 E HA 0.078 4.429 4.350 0.001 0.000 0.203 485 E C 1.155 177.751 176.600 -0.007 0.000 1.013 485 E CA 0.567 56.942 56.400 -0.041 0.000 0.927 485 E CB -0.133 29.537 29.700 -0.050 0.000 1.012 485 E HN 0.268 nan 8.360 nan 0.000 0.482 486 T N 2.420 116.986 114.554 0.019 0.000 2.622 486 T HA -0.092 4.258 4.350 0.001 0.000 0.266 486 T C 2.131 176.897 174.700 0.111 0.000 1.047 486 T CA 1.533 63.686 62.100 0.088 0.000 1.159 486 T CB -0.378 68.557 68.868 0.112 0.000 0.863 486 T HN 0.088 nan 8.240 nan 0.000 0.422 487 L N 0.992 122.241 121.223 0.044 0.000 2.046 487 L HA -0.091 4.249 4.340 0.001 0.000 0.208 487 L C 3.191 180.005 176.870 -0.094 0.000 1.077 487 L CA 1.291 56.118 54.840 -0.022 0.000 0.747 487 L CB -0.855 41.146 42.059 -0.096 0.000 0.896 487 L HN 0.299 nan 8.230 nan 0.000 0.432 488 A N -0.779 121.990 122.820 -0.085 0.000 1.933 488 A HA -0.281 4.039 4.320 0.001 0.000 0.218 488 A C 2.228 179.776 177.584 -0.061 0.000 1.175 488 A CA 1.832 53.813 52.037 -0.094 0.000 0.628 488 A CB -1.001 17.971 19.000 -0.046 0.000 0.814 488 A HN 0.606 nan 8.150 nan 0.000 0.444 489 H N -1.821 117.136 119.070 -0.189 0.000 2.267 489 H HA -0.180 4.376 4.556 0.001 0.000 0.297 489 H C 1.889 177.010 175.328 -0.345 0.000 1.080 489 H CA 1.984 57.840 56.048 -0.321 0.000 1.278 489 H CB -0.261 29.198 29.762 -0.507 0.000 1.365 489 H HN 0.447 nan 8.280 nan 0.000 0.489 490 F N 1.149 120.857 119.950 -0.403 0.000 2.216 490 F HA -0.041 4.486 4.527 0.000 0.000 0.300 490 F C 2.764 178.421 175.800 -0.238 0.000 1.085 490 F CA 0.942 58.681 58.000 -0.435 0.000 1.326 490 F CB -0.240 38.501 39.000 -0.432 0.000 1.027 490 F HN 0.116 nan 8.300 nan 0.000 0.497 491 R N -0.494 119.962 120.500 -0.073 0.000 2.285 491 R HA -0.038 4.302 4.340 0.001 0.000 0.213 491 R C 1.722 178.010 176.300 -0.020 0.000 1.068 491 R CA 1.114 57.153 56.100 -0.102 0.000 1.004 491 R CB -0.592 29.512 30.300 -0.326 0.000 0.873 491 R HN 0.184 nan 8.270 nan 0.000 0.467 492 S N 0.647 116.331 115.700 -0.027 0.000 2.548 492 S HA 0.052 4.522 4.470 0.001 0.000 0.215 492 S C 0.375 174.987 174.600 0.021 0.000 0.976 492 S CA -0.241 57.961 58.200 0.004 0.000 0.908 492 S CB 0.125 63.327 63.200 0.003 0.000 0.781 492 S HN 0.094 nan 8.310 nan 0.000 0.519 493 L N 3.207 124.439 121.223 0.014 0.000 2.292 493 L HA 0.497 4.837 4.340 0.001 0.000 0.284 493 L C -2.796 174.108 176.870 0.057 0.000 1.065 493 L CA -2.142 52.717 54.840 0.032 0.000 0.806 493 L CB 0.306 42.378 42.059 0.021 0.000 1.175 493 L HN -0.166 nan 8.230 nan 0.000 0.431 494 P HA 0.176 nan 4.420 nan 0.000 0.272 494 P C -0.765 176.587 177.300 0.087 0.000 1.230 494 P CA 0.020 63.176 63.100 0.094 0.000 0.788 494 P CB 0.323 32.071 31.700 0.079 0.000 0.949 495 N N 0.348 119.136 118.700 0.147 0.000 2.688 495 N HA -0.209 4.531 4.740 0.001 0.000 0.258 495 N C -1.200 174.206 175.510 -0.174 0.000 1.016 495 N CA 0.749 53.826 53.050 0.044 0.000 0.747 495 N CB -1.415 37.111 38.487 0.064 0.000 0.895 495 N HN 0.474 nan 8.380 nan 0.000 0.543 496 I N 0.317 120.697 120.570 -0.317 0.000 2.685 496 I HA 0.186 4.356 4.170 0.001 0.000 0.289 496 I C -0.987 174.884 176.117 -0.410 0.000 1.292 496 I CA -0.593 60.514 61.300 -0.322 0.000 1.050 496 I CB 1.314 39.238 38.000 -0.125 0.000 1.301 496 I HN 0.137 nan 8.210 nan 0.000 0.425 497 Q N 6.066 125.610 119.800 -0.427 0.000 2.279 497 Q HA 0.484 4.824 4.340 0.001 0.000 0.256 497 Q C -1.043 174.865 176.000 -0.153 0.000 0.937 497 Q CA -0.654 54.981 55.803 -0.280 0.000 0.933 497 Q CB 2.308 30.976 28.738 -0.116 0.000 1.189 497 Q HN 0.450 nan 8.270 nan 0.000 0.417 498 V N 3.367 123.168 119.914 -0.189 0.000 2.250 498 V HA 0.207 4.327 4.120 0.001 0.000 0.268 498 V C -0.978 175.048 176.094 -0.114 0.000 1.043 498 V CA -0.812 61.407 62.300 -0.136 0.000 0.814 498 V CB -0.322 31.399 31.823 -0.171 0.000 1.072 498 V HN 0.684 nan 8.190 nan 0.000 0.451 499 W N 3.312 124.593 121.300 -0.031 0.000 2.272 499 W HA 0.567 5.227 4.660 0.000 0.000 0.318 499 W C 0.910 177.425 176.519 -0.007 0.000 1.255 499 W CA -0.539 56.808 57.345 0.003 0.000 1.200 499 W CB 0.757 30.212 29.460 -0.008 0.000 1.170 499 W HN 0.289 nan 8.180 nan 0.000 0.549 500 R N 4.703 125.366 120.500 0.272 0.000 2.681 500 R HA 0.211 4.551 4.340 0.001 0.000 0.277 500 R C -2.471 173.952 176.300 0.205 0.000 1.563 500 R CA -1.629 54.577 56.100 0.176 0.000 1.673 500 R CB 0.464 30.828 30.300 0.108 0.000 1.258 500 R HN 0.171 nan 8.270 nan 0.000 0.650 501 P HA -0.005 nan 4.420 nan 0.000 0.268 501 P C -0.083 177.296 177.300 0.133 0.000 1.208 501 P CA 0.311 63.531 63.100 0.199 0.000 0.777 501 P CB 1.532 33.315 31.700 0.139 0.000 0.875 502 A N 1.643 124.538 122.820 0.125 0.000 2.252 502 A HA 0.210 4.531 4.320 0.001 0.000 0.213 502 A C 0.365 177.974 177.584 0.043 0.000 1.188 502 A CA 0.619 52.703 52.037 0.079 0.000 0.863 502 A CB -0.219 18.828 19.000 0.078 0.000 0.893 502 A HN 0.694 nan 8.150 nan 0.000 0.495 503 D N -4.724 115.700 120.400 0.040 0.000 2.713 503 D HA 0.325 4.965 4.640 0.001 0.000 0.306 503 D C 1.048 177.312 176.300 -0.059 0.000 1.299 503 D CA 0.130 54.114 54.000 -0.028 0.000 0.823 503 D CB 0.203 40.993 40.800 -0.016 0.000 1.353 503 D HN -0.005 nan 8.370 nan 0.000 0.447 504 G N 0.152 108.805 108.800 -0.246 0.000 2.574 504 G HA2 -0.372 3.588 3.960 0.001 0.000 0.220 504 G HA3 -0.372 3.588 3.960 0.001 0.000 0.220 504 G C 1.068 176.037 174.900 0.115 0.000 1.173 504 G CA 1.302 46.210 45.100 -0.319 0.000 0.772 504 G HN 0.570 nan 8.290 nan 0.000 0.585 505 N N 0.749 119.557 118.700 0.180 0.000 2.120 505 N HA -0.069 4.671 4.740 0.001 0.000 0.188 505 N C 2.129 177.702 175.510 0.106 0.000 1.024 505 N CA 1.181 54.332 53.050 0.170 0.000 0.852 505 N CB -0.339 38.234 38.487 0.143 0.000 1.003 505 N HN 0.535 nan 8.380 nan 0.000 0.424 506 E N 0.484 120.751 120.200 0.113 0.000 2.204 506 E HA -0.061 4.289 4.350 0.001 0.000 0.194 506 E C 1.852 178.490 176.600 0.063 0.000 0.989 506 E CA 0.454 56.931 56.400 0.127 0.000 0.824 506 E CB 0.194 30.011 29.700 0.195 0.000 0.756 506 E HN 0.118 nan 8.360 nan 0.000 0.477 507 V N 0.587 120.542 119.914 0.068 0.000 2.453 507 V HA -0.175 3.945 4.120 0.001 0.000 0.247 507 V C 2.205 178.364 176.094 0.110 0.000 1.048 507 V CA 1.421 63.766 62.300 0.075 0.000 1.049 507 V CB -0.121 31.776 31.823 0.123 0.000 0.672 507 V HN 0.170 nan 8.190 nan 0.000 0.457 508 S N 0.441 116.207 115.700 0.109 0.000 2.368 508 S HA -0.121 4.349 4.470 0.001 0.000 0.224 508 S C 2.248 176.851 174.600 0.005 0.000 1.029 508 S CA 1.364 59.623 58.200 0.099 0.000 0.988 508 S CB -0.404 62.840 63.200 0.073 0.000 0.838 508 S HN 0.635 nan 8.310 nan 0.000 0.462 509 A N 1.601 124.377 122.820 -0.073 0.000 1.933 509 A HA 0.093 4.414 4.320 0.001 0.000 0.218 509 A C 2.318 179.575 177.584 -0.546 0.000 1.175 509 A CA 1.691 53.621 52.037 -0.178 0.000 0.628 509 A CB -1.049 17.902 19.000 -0.083 0.000 0.814 509 A HN 0.502 nan 8.150 nan 0.000 0.444 510 A N -1.027 121.353 122.820 -0.734 0.000 1.851 510 A HA -0.130 4.190 4.320 0.001 0.000 0.216 510 A C 2.094 179.177 177.584 -0.836 0.000 1.195 510 A CA 1.702 52.938 52.037 -1.335 0.000 0.622 510 A CB -0.968 17.539 19.000 -0.822 0.000 0.831 510 A HN 0.574 nan 8.150 nan 0.000 0.444 511 Y N -0.010 120.100 120.300 -0.316 0.000 2.224 511 Y HA -0.174 4.376 4.550 0.000 0.000 0.289 511 Y C 2.444 178.375 175.900 0.052 0.000 1.146 511 Y CA 1.871 59.909 58.100 -0.104 0.000 1.182 511 Y CB -0.182 38.277 38.460 -0.002 0.000 0.983 511 Y HN 0.358 nan 8.280 nan 0.000 0.524 512 K N 0.378 120.897 120.400 0.198 0.000 2.002 512 K HA -0.220 4.100 4.320 0.001 0.000 0.209 512 K C 1.659 178.399 176.600 0.233 0.000 1.048 512 K CA 2.006 58.467 56.287 0.290 0.000 0.930 512 K CB -0.162 32.379 32.500 0.067 0.000 0.714 512 K HN 0.228 nan 8.250 nan 0.000 0.438 513 N N 0.351 119.099 118.700 0.080 0.000 2.084 513 N HA -0.103 4.638 4.740 0.001 0.000 0.190 513 N C 1.818 177.439 175.510 0.186 0.000 1.030 513 N CA 1.558 54.719 53.050 0.185 0.000 0.849 513 N CB -0.452 38.247 38.487 0.353 0.000 1.012 513 N HN 0.082 nan 8.380 nan 0.000 0.423 514 S N 0.448 116.181 115.700 0.055 0.000 2.365 514 S HA -0.071 4.399 4.470 0.001 0.000 0.225 514 S C 1.933 176.581 174.600 0.080 0.000 1.039 514 S CA 0.948 59.183 58.200 0.058 0.000 1.033 514 S CB -0.351 62.772 63.200 -0.129 0.000 0.887 514 S HN 0.231 nan 8.310 nan 0.000 0.447 515 L N 0.881 122.158 121.223 0.091 0.000 2.131 515 L HA -0.017 4.324 4.340 0.001 0.000 0.206 515 L C 2.376 179.266 176.870 0.034 0.000 1.087 515 L CA 1.031 55.888 54.840 0.028 0.000 0.767 515 L CB -0.399 41.602 42.059 -0.097 0.000 0.917 515 L HN 0.300 nan 8.230 nan 0.000 0.441 516 E N -0.706 119.581 120.200 0.145 0.000 2.347 516 E HA -0.085 4.265 4.350 0.001 0.000 0.196 516 E C 1.020 177.691 176.600 0.119 0.000 1.008 516 E CA 0.033 56.529 56.400 0.159 0.000 0.852 516 E CB 0.104 29.954 29.700 0.250 0.000 0.783 516 E HN 0.210 nan 8.360 nan 0.000 0.505 517 S N 0.391 116.163 115.700 0.121 0.000 2.563 517 S HA -0.016 4.454 4.470 0.001 0.000 0.284 517 S C 0.749 175.370 174.600 0.036 0.000 1.331 517 S CA 0.279 58.545 58.200 0.110 0.000 1.047 517 S CB 0.652 63.925 63.200 0.121 0.000 0.859 517 S HN 0.084 nan 8.310 nan 0.000 0.514 518 K N 1.476 121.867 120.400 -0.016 0.000 2.450 518 K HA 0.206 4.526 4.320 0.001 0.000 0.206 518 K C 0.319 176.646 176.600 -0.456 0.000 1.148 518 K CA -0.097 56.053 56.287 -0.227 0.000 1.014 518 K CB 0.339 32.658 32.500 -0.301 0.000 0.966 518 K HN 0.672 nan 8.250 nan 0.000 0.566 519 H N -0.969 118.157 119.070 0.093 0.000 3.540 519 H HA 0.171 4.727 4.556 0.001 0.000 0.259 519 H C -0.446 174.902 175.328 0.034 0.000 1.197 519 H CA 0.057 56.150 56.048 0.075 0.000 1.136 519 H CB 1.489 31.306 29.762 0.092 0.000 1.605 519 H HN -0.138 nan 8.280 nan 0.000 0.657 520 T N 5.096 119.712 114.554 0.103 0.000 2.815 520 T HA 0.267 4.617 4.350 0.001 0.000 0.289 520 T C -2.488 172.192 174.700 -0.034 0.000 1.000 520 T CA -1.272 60.818 62.100 -0.017 0.000 0.958 520 T CB 2.976 71.762 68.868 -0.136 0.000 0.944 520 T HN 0.020 nan 8.240 nan 0.000 0.442 521 P HA 0.336 nan 4.420 nan 0.000 0.275 521 P C -0.393 176.898 177.300 -0.014 0.000 1.270 521 P CA -0.397 62.713 63.100 0.016 0.000 0.791 521 P CB 0.753 32.481 31.700 0.047 0.000 1.089 522 S N -1.102 114.632 115.700 0.055 0.000 2.550 522 S HA 0.638 5.108 4.470 0.001 0.000 0.270 522 S C -1.439 173.219 174.600 0.097 0.000 1.145 522 S CA -0.768 57.482 58.200 0.083 0.000 0.852 522 S CB 0.603 63.901 63.200 0.164 0.000 1.119 522 S HN 0.263 nan 8.310 nan 0.000 0.465 523 I N 3.621 124.227 120.570 0.061 0.000 2.478 523 I HA 0.461 4.631 4.170 0.001 0.000 0.287 523 I C -1.022 175.142 176.117 0.078 0.000 1.042 523 I CA -0.575 60.733 61.300 0.013 0.000 1.067 523 I CB 1.760 39.621 38.000 -0.231 0.000 1.233 523 I HN 0.566 nan 8.210 nan 0.000 0.431 524 I N 6.017 126.630 120.570 0.072 0.000 2.359 524 I HA 0.424 4.595 4.170 0.001 0.000 0.284 524 I C 0.452 176.613 176.117 0.073 0.000 1.018 524 I CA -0.508 60.827 61.300 0.059 0.000 1.173 524 I CB 1.561 39.497 38.000 -0.106 0.000 1.326 524 I HN 0.562 nan 8.210 nan 0.000 0.462 525 A N 8.461 131.329 122.820 0.080 0.000 2.310 525 A HA 0.697 5.017 4.320 0.001 0.000 0.300 525 A C -0.376 177.257 177.584 0.083 0.000 1.269 525 A CA -0.182 51.898 52.037 0.071 0.000 0.909 525 A CB 0.087 19.113 19.000 0.044 0.000 1.144 525 A HN 0.714 nan 8.150 nan 0.000 0.540 526 L N 2.518 123.799 121.223 0.098 0.000 2.334 526 L HA 0.554 4.894 4.340 0.001 0.000 0.273 526 L C 0.809 177.714 176.870 0.059 0.000 1.013 526 L CA -0.626 54.267 54.840 0.090 0.000 0.816 526 L CB 2.144 44.274 42.059 0.119 0.000 1.278 526 L HN 0.767 nan 8.230 nan 0.000 0.431 527 S N 0.800 116.515 115.700 0.025 0.000 2.632 527 S HA 0.386 4.856 4.470 0.001 0.000 0.271 527 S C 0.614 175.154 174.600 -0.101 0.000 1.260 527 S CA -0.596 57.586 58.200 -0.030 0.000 1.010 527 S CB 1.970 65.164 63.200 -0.010 0.000 0.965 527 S HN 0.752 nan 8.310 nan 0.000 0.534 528 R N 0.840 121.209 120.500 -0.218 0.000 2.075 528 R HA 0.052 4.392 4.340 0.001 0.000 0.220 528 R C 0.992 177.217 176.300 -0.124 0.000 1.118 528 R CA 0.424 56.333 56.100 -0.319 0.000 0.986 528 R CB -0.233 29.752 30.300 -0.525 0.000 0.884 528 R HN 0.873 nan 8.270 nan 0.000 0.439 529 Q N 1.576 121.331 119.800 -0.074 0.000 2.354 529 Q HA 0.067 4.407 4.340 0.001 0.000 0.244 529 Q C -1.031 174.950 176.000 -0.032 0.000 0.969 529 Q CA -0.277 55.506 55.803 -0.033 0.000 0.885 529 Q CB 0.502 29.236 28.738 -0.007 0.000 1.241 529 Q HN 0.087 nan 8.270 nan 0.000 0.461 530 N N 1.728 120.410 118.700 -0.029 0.000 2.513 530 N HA 0.301 5.041 4.740 0.001 0.000 0.268 530 N C -0.614 174.871 175.510 -0.041 0.000 1.180 530 N CA 0.100 53.132 53.050 -0.030 0.000 0.948 530 N CB 0.452 38.925 38.487 -0.023 0.000 1.083 530 N HN 0.472 nan 8.380 nan 0.000 0.455 531 L N 3.077 124.275 121.223 -0.042 0.000 2.388 531 L HA 0.576 4.917 4.340 0.001 0.000 0.264 531 L C -2.225 174.618 176.870 -0.045 0.000 0.998 531 L CA -1.850 52.963 54.840 -0.045 0.000 0.817 531 L CB 2.716 44.753 42.059 -0.036 0.000 1.338 531 L HN 0.302 nan 8.230 nan 0.000 0.414 532 P HA 0.155 nan 4.420 nan 0.000 0.278 532 P C -1.534 175.747 177.300 -0.031 0.000 1.266 532 P CA -0.637 62.445 63.100 -0.030 0.000 0.807 532 P CB 0.812 32.501 31.700 -0.019 0.000 1.094 533 Q N 0.792 120.578 119.800 -0.023 0.000 2.279 533 Q HA 0.352 4.693 4.340 0.001 0.000 0.256 533 Q C 0.101 176.114 176.000 0.021 0.000 0.937 533 Q CA -0.312 55.485 55.803 -0.011 0.000 0.933 533 Q CB 0.309 29.054 28.738 0.011 0.000 1.189 533 Q HN 0.428 nan 8.270 nan 0.000 0.417 534 L N 1.480 122.724 121.223 0.035 0.000 2.436 534 L HA 0.186 4.526 4.340 0.001 0.000 0.265 534 L C 0.688 177.596 176.870 0.064 0.000 1.168 534 L CA -0.527 54.341 54.840 0.048 0.000 0.815 534 L CB 0.342 42.437 42.059 0.061 0.000 1.109 534 L HN 0.465 nan 8.230 nan 0.000 0.462 535 E N 0.997 121.231 120.200 0.056 0.000 2.115 535 E HA 0.464 4.814 4.350 0.001 0.000 0.282 535 E C 0.454 177.101 176.600 0.078 0.000 0.987 535 E CA 0.355 56.791 56.400 0.061 0.000 0.797 535 E CB 0.905 30.632 29.700 0.045 0.000 1.086 535 E HN 0.663 nan 8.360 nan 0.000 0.397 536 G N 3.163 112.024 108.800 0.101 0.000 2.336 536 G HA2 -0.209 3.751 3.960 0.001 0.000 0.194 536 G HA3 -0.209 3.751 3.960 0.001 0.000 0.194 536 G C 0.189 175.227 174.900 0.229 0.000 0.999 536 G CA 0.031 45.216 45.100 0.141 0.000 0.669 536 G HN 0.878 nan 8.290 nan 0.000 0.482 537 S N 0.255 116.087 115.700 0.220 0.000 2.603 537 S HA 0.800 5.271 4.470 0.001 0.000 0.268 537 S C 0.146 174.813 174.600 0.112 0.000 1.317 537 S CA 0.813 59.172 58.200 0.266 0.000 1.012 537 S CB 1.976 65.319 63.200 0.239 0.000 0.926 537 S HN 2.157 nan 8.310 nan 0.000 0.539 538 S N 0.543 116.248 115.700 0.007 0.000 2.578 538 S HA 0.390 4.860 4.470 0.001 0.000 0.272 538 S C 0.372 174.924 174.600 -0.079 0.000 1.145 538 S CA -0.962 57.221 58.200 -0.029 0.000 0.835 538 S CB -0.130 63.041 63.200 -0.049 0.000 1.104 538 S HN 0.592 nan 8.310 nan 0.000 0.458 539 I N 1.261 121.804 120.570 -0.046 0.000 2.142 539 I HA -0.150 4.020 4.170 0.001 0.000 0.240 539 I C 2.458 178.529 176.117 -0.076 0.000 1.078 539 I CA 1.650 62.920 61.300 -0.050 0.000 1.343 539 I CB -0.600 37.370 38.000 -0.050 0.000 1.046 539 I HN 0.724 nan 8.210 nan 0.000 0.405 540 E N 1.154 121.302 120.200 -0.085 0.000 2.049 540 E HA -0.193 4.157 4.350 0.001 0.000 0.198 540 E C 2.309 178.835 176.600 -0.123 0.000 1.007 540 E CA 1.978 58.327 56.400 -0.085 0.000 0.809 540 E CB -0.441 29.215 29.700 -0.073 0.000 0.749 540 E HN 0.376 nan 8.360 nan 0.000 0.450 541 S N 0.581 116.145 115.700 -0.227 0.000 2.345 541 S HA -0.104 4.366 4.470 0.001 0.000 0.220 541 S C 2.159 176.504 174.600 -0.425 0.000 1.031 541 S CA 0.938 58.911 58.200 -0.377 0.000 0.996 541 S CB -0.548 62.225 63.200 -0.711 0.000 0.882 541 S HN 0.412 nan 8.310 nan 0.000 0.445 542 A N 1.674 124.194 122.820 -0.499 0.000 2.024 542 A HA -0.091 4.229 4.320 0.001 0.000 0.220 542 A C 2.202 179.926 177.584 0.233 0.000 1.164 542 A CA 1.727 53.719 52.037 -0.076 0.000 0.643 542 A CB -0.855 18.174 19.000 0.047 0.000 0.806 542 A HN 0.436 nan 8.150 nan 0.000 0.451 543 S N -0.415 115.367 115.700 0.137 0.000 2.507 543 S HA -0.071 4.399 4.470 0.001 0.000 0.235 543 S C 1.453 176.226 174.600 0.288 0.000 0.988 543 S CA 1.236 59.588 58.200 0.253 0.000 0.944 543 S CB -0.122 63.145 63.200 0.112 0.000 0.762 543 S HN 0.671 nan 8.310 nan 0.000 0.526 544 K N 0.321 120.844 120.400 0.206 0.000 2.404 544 K HA 0.230 4.550 4.320 0.001 0.000 0.194 544 K C 1.552 178.357 176.600 0.341 0.000 1.023 544 K CA 0.440 56.848 56.287 0.202 0.000 1.094 544 K CB 0.166 32.708 32.500 0.070 0.000 0.841 544 K HN 0.364 nan 8.250 nan 0.000 0.523 545 G N 0.883 109.885 108.800 0.336 0.000 2.363 545 G HA2 -0.263 3.697 3.960 0.001 0.000 0.238 545 G HA3 -0.263 3.697 3.960 0.001 0.000 0.238 545 G C 0.342 175.357 174.900 0.191 0.000 1.062 545 G CA -0.061 45.159 45.100 0.200 0.000 0.629 545 G HN 0.578 nan 8.290 nan 0.000 0.514 546 G N -0.952 108.025 108.800 0.296 0.000 2.742 546 G HA2 0.899 4.859 3.960 0.001 0.000 0.296 546 G HA3 0.899 4.859 3.960 0.001 0.000 0.296 546 G C -0.971 174.120 174.900 0.319 0.000 1.436 546 G CA 0.182 45.260 45.100 -0.036 0.000 0.928 546 G HN 1.777 nan 8.290 nan 0.000 0.520 547 Y N -1.617 118.662 120.300 -0.035 0.000 2.779 547 Y HA 0.658 5.209 4.550 0.001 0.000 0.340 547 Y C -1.349 174.552 175.900 0.001 0.000 1.252 547 Y CA -1.641 56.502 58.100 0.071 0.000 1.072 547 Y CB 0.782 39.352 38.460 0.184 0.000 1.343 547 Y HN 0.523 nan 8.280 nan 0.000 0.450 548 V N 3.352 123.307 119.914 0.069 0.000 2.353 548 V HA 0.145 4.265 4.120 0.001 0.000 0.264 548 V C 0.828 176.914 176.094 -0.012 0.000 1.049 548 V CA -0.200 62.077 62.300 -0.039 0.000 0.896 548 V CB 0.292 32.137 31.823 0.036 0.000 1.025 548 V HN 0.886 nan 8.190 nan 0.000 0.475 549 L N 4.444 125.554 121.223 -0.189 0.000 1.973 549 L HA 0.022 4.362 4.340 0.001 0.000 0.208 549 L C 1.217 178.097 176.870 0.016 0.000 1.073 549 L CA 1.943 56.735 54.840 -0.079 0.000 0.746 549 L CB 0.054 42.023 42.059 -0.152 0.000 0.891 549 L HN 0.663 nan 8.230 nan 0.000 0.433 550 Q N -0.766 119.026 119.800 -0.014 0.000 2.342 550 Q HA 0.351 4.692 4.340 0.001 0.000 0.267 550 Q C -1.381 174.620 176.000 0.003 0.000 1.038 550 Q CA -0.691 55.116 55.803 0.006 0.000 0.832 550 Q CB 2.211 30.949 28.738 -0.000 0.000 1.323 550 Q HN 0.111 nan 8.270 nan 0.000 0.448 551 D N 0.558 120.966 120.400 0.014 0.000 2.490 551 D HA 0.652 5.292 4.640 0.001 0.000 0.232 551 D C -1.616 174.690 176.300 0.011 0.000 1.053 551 D CA -0.640 53.368 54.000 0.013 0.000 0.914 551 D CB 2.186 43.001 40.800 0.025 0.000 1.431 551 D HN 0.310 nan 8.370 nan 0.000 0.483 552 V N -1.033 118.886 119.914 0.008 0.000 3.012 552 V HA 0.898 5.019 4.120 0.001 0.000 0.307 552 V C -0.412 175.687 176.094 0.007 0.000 1.166 552 V CA -1.268 61.037 62.300 0.007 0.000 0.974 552 V CB 1.130 32.955 31.823 0.003 0.000 1.040 552 V HN 0.741 nan 8.190 nan 0.000 0.428 553 A N 2.759 125.584 122.820 0.008 0.000 2.454 553 A HA 0.536 4.856 4.320 0.001 0.000 0.260 553 A C 0.681 178.268 177.584 0.005 0.000 1.106 553 A CA 0.381 52.423 52.037 0.008 0.000 0.780 553 A CB -0.961 18.043 19.000 0.008 0.000 1.044 553 A HN 1.464 nan 8.150 nan 0.000 0.498 554 N N 1.305 120.007 118.700 0.004 0.000 2.568 554 N HA -0.111 4.629 4.740 0.001 0.000 0.277 554 N C -2.723 172.787 175.510 0.000 0.000 1.200 554 N CA 0.266 53.317 53.050 0.002 0.000 0.702 554 N CB -1.082 37.406 38.487 0.002 0.000 0.889 554 N HN 0.605 nan 8.380 nan 0.000 0.546 555 P HA 0.140 nan 4.420 nan 0.000 0.279 555 P C -0.067 177.231 177.300 -0.003 0.000 1.239 555 P CA -0.108 62.991 63.100 -0.002 0.000 0.789 555 P CB 1.015 32.713 31.700 -0.004 0.000 0.933 556 D N 1.427 121.826 120.400 -0.001 0.000 2.249 556 D HA 0.117 4.757 4.640 0.001 0.000 0.205 556 D C 0.852 177.153 176.300 0.002 0.000 0.962 556 D CA 1.057 55.057 54.000 0.001 0.000 0.860 556 D CB 0.595 41.398 40.800 0.004 0.000 0.955 556 D HN 0.369 nan 8.370 nan 0.000 0.505 557 I N -0.241 120.329 120.570 0.001 0.000 2.984 557 I HA 0.261 4.432 4.170 0.001 0.000 0.303 557 I C -1.766 174.351 176.117 -0.001 0.000 1.381 557 I CA -0.792 60.511 61.300 0.004 0.000 0.988 557 I CB 2.607 40.614 38.000 0.010 0.000 1.307 557 I HN -0.349 nan 8.210 nan 0.000 0.460 558 I N 6.320 126.892 120.570 0.003 0.000 2.436 558 I HA 0.390 4.561 4.170 0.001 0.000 0.289 558 I C -1.085 175.022 176.117 -0.017 0.000 1.010 558 I CA -0.688 60.606 61.300 -0.009 0.000 1.098 558 I CB 1.825 39.821 38.000 -0.005 0.000 1.266 558 I HN 0.308 nan 8.210 nan 0.000 0.434 559 L N 6.854 128.057 121.223 -0.034 0.000 2.272 559 L HA 0.506 4.846 4.340 0.001 0.000 0.289 559 L C -0.540 176.284 176.870 -0.076 0.000 1.032 559 L CA -0.800 54.012 54.840 -0.047 0.000 0.810 559 L CB 1.603 43.640 42.059 -0.036 0.000 1.205 559 L HN 0.275 nan 8.230 nan 0.000 0.422 560 V N 2.901 122.753 119.914 -0.105 0.000 2.370 560 V HA 0.822 4.943 4.120 0.001 0.000 0.283 560 V C 0.227 176.227 176.094 -0.158 0.000 1.023 560 V CA -0.309 61.922 62.300 -0.115 0.000 0.857 560 V CB 1.172 32.960 31.823 -0.058 0.000 0.985 560 V HN 0.904 nan 8.190 nan 0.000 0.443 561 A N 3.864 126.642 122.820 -0.069 0.000 2.530 561 A HA 1.048 5.369 4.320 0.001 0.000 0.288 561 A C -0.184 177.458 177.584 0.096 0.000 1.172 561 A CA -0.182 51.842 52.037 -0.021 0.000 0.733 561 A CB 2.353 21.339 19.000 -0.024 0.000 1.320 561 A HN 0.939 nan 8.150 nan 0.000 0.419 562 T N -3.097 111.539 114.554 0.136 0.000 2.841 562 T HA 0.690 5.040 4.350 0.001 0.000 0.296 562 T C 0.930 175.695 174.700 0.109 0.000 1.166 562 T CA 0.513 62.711 62.100 0.162 0.000 1.007 562 T CB 0.847 69.871 68.868 0.260 0.000 1.253 562 T HN 2.590 nan 8.240 nan 0.000 0.511 563 G N 1.977 110.842 108.800 0.108 0.000 2.648 563 G HA2 -0.387 3.573 3.960 0.001 0.000 0.357 563 G HA3 -0.387 3.573 3.960 0.001 0.000 0.357 563 G C 1.418 176.350 174.900 0.054 0.000 1.342 563 G CA 2.459 47.608 45.100 0.083 0.000 0.978 563 G HN 2.154 nan 8.290 nan 0.000 0.532 564 S N -0.333 115.394 115.700 0.044 0.000 2.440 564 S HA -0.105 4.365 4.470 0.001 0.000 0.240 564 S C 1.777 176.383 174.600 0.009 0.000 1.014 564 S CA 2.310 60.522 58.200 0.020 0.000 0.980 564 S CB -0.158 63.066 63.200 0.039 0.000 0.775 564 S HN 0.643 nan 8.310 nan 0.000 0.499 565 E N 0.756 120.977 120.200 0.035 0.000 2.435 565 E HA 0.164 4.514 4.350 0.001 0.000 0.195 565 E C 1.817 178.433 176.600 0.028 0.000 1.029 565 E CA 0.231 56.656 56.400 0.043 0.000 0.865 565 E CB -0.227 29.507 29.700 0.056 0.000 0.833 565 E HN 0.453 nan 8.360 nan 0.000 0.510 566 V N 0.764 120.690 119.914 0.019 0.000 2.427 566 V HA -0.264 3.856 4.120 0.001 0.000 0.248 566 V C 2.318 178.410 176.094 -0.002 0.000 1.051 566 V CA 1.848 64.149 62.300 0.001 0.000 1.048 566 V CB -0.799 31.022 31.823 -0.004 0.000 0.666 566 V HN 0.403 nan 8.190 nan 0.000 0.456 567 S N 0.967 116.665 115.700 -0.003 0.000 2.348 567 S HA -0.236 4.234 4.470 0.001 0.000 0.221 567 S C 2.018 176.613 174.600 -0.008 0.000 1.033 567 S CA 1.713 59.907 58.200 -0.009 0.000 1.010 567 S CB -0.846 62.341 63.200 -0.022 0.000 0.891 567 S HN 0.386 nan 8.310 nan 0.000 0.442 568 L N 2.126 123.345 121.223 -0.006 0.000 2.021 568 L HA -0.132 4.208 4.340 0.001 0.000 0.215 568 L C 2.493 179.378 176.870 0.025 0.000 1.074 568 L CA 2.324 57.171 54.840 0.011 0.000 0.760 568 L CB -1.110 40.975 42.059 0.043 0.000 0.889 568 L HN 0.370 nan 8.230 nan 0.000 0.433 569 S N -1.359 114.356 115.700 0.026 0.000 2.382 569 S HA -0.162 4.308 4.470 0.001 0.000 0.228 569 S C 1.937 176.538 174.600 0.002 0.000 1.027 569 S CA 1.343 59.553 58.200 0.017 0.000 0.991 569 S CB -0.409 62.793 63.200 0.003 0.000 0.823 569 S HN 0.364 nan 8.310 nan 0.000 0.469 570 V N 1.895 121.807 119.914 -0.003 0.000 2.407 570 V HA -0.122 3.999 4.120 0.001 0.000 0.248 570 V C 2.462 178.555 176.094 -0.001 0.000 1.055 570 V CA 1.491 63.788 62.300 -0.005 0.000 1.049 570 V CB -0.443 31.378 31.823 -0.004 0.000 0.662 570 V HN 0.405 nan 8.190 nan 0.000 0.455 571 E N -0.025 120.175 120.200 0.000 0.000 2.158 571 E HA -0.057 4.293 4.350 0.001 0.000 0.191 571 E C 2.342 178.943 176.600 0.002 0.000 0.982 571 E CA 1.218 57.618 56.400 0.000 0.000 0.823 571 E CB -0.324 29.375 29.700 -0.001 0.000 0.766 571 E HN 0.565 nan 8.360 nan 0.000 0.468 572 A N 1.575 124.398 122.820 0.006 0.000 1.933 572 A HA -0.084 4.236 4.320 0.001 0.000 0.218 572 A C 2.414 179.995 177.584 -0.005 0.000 1.175 572 A CA 1.869 53.907 52.037 0.002 0.000 0.628 572 A CB -0.489 18.517 19.000 0.010 0.000 0.814 572 A HN 0.253 nan 8.150 nan 0.000 0.444 573 A N -0.267 122.550 122.820 -0.005 0.000 1.933 573 A HA -0.156 4.165 4.320 0.001 0.000 0.218 573 A C 2.082 179.663 177.584 -0.005 0.000 1.175 573 A CA 1.982 54.015 52.037 -0.007 0.000 0.628 573 A CB -0.393 18.603 19.000 -0.007 0.000 0.814 573 A HN 0.521 nan 8.150 nan 0.000 0.444 574 K N -0.918 119.480 120.400 -0.003 0.000 2.026 574 K HA -0.089 4.231 4.320 0.001 0.000 0.208 574 K C 2.063 178.661 176.600 -0.004 0.000 1.048 574 K CA 1.879 58.164 56.287 -0.002 0.000 0.929 574 K CB -0.453 32.046 32.500 -0.001 0.000 0.713 574 K HN 0.415 nan 8.250 nan 0.000 0.439 575 T N 1.280 115.830 114.554 -0.005 0.000 2.881 575 T HA -0.066 4.284 4.350 0.001 0.000 0.270 575 T C 1.609 176.303 174.700 -0.010 0.000 1.068 575 T CA 0.911 63.006 62.100 -0.008 0.000 1.131 575 T CB -0.067 68.796 68.868 -0.010 0.000 0.871 575 T HN 0.102 nan 8.240 nan 0.000 0.479 576 L N 0.307 121.524 121.223 -0.011 0.000 2.179 576 L HA 0.075 4.415 4.340 0.001 0.000 0.208 576 L C 2.927 179.792 176.870 -0.008 0.000 1.096 576 L CA 0.769 55.602 54.840 -0.012 0.000 0.779 576 L CB -0.489 41.562 42.059 -0.013 0.000 0.922 576 L HN 0.219 nan 8.230 nan 0.000 0.443 577 A N 0.135 122.952 122.820 -0.006 0.000 1.933 577 A HA -0.154 4.166 4.320 0.001 0.000 0.218 577 A C 2.519 180.100 177.584 -0.004 0.000 1.175 577 A CA 1.508 53.542 52.037 -0.004 0.000 0.628 577 A CB -0.576 18.423 19.000 -0.002 0.000 0.814 577 A HN 0.385 nan 8.150 nan 0.000 0.444 578 A N -0.012 122.805 122.820 -0.005 0.000 1.940 578 A HA -0.164 4.157 4.320 0.001 0.000 0.219 578 A C 1.794 179.374 177.584 -0.006 0.000 1.176 578 A CA 1.705 53.739 52.037 -0.005 0.000 0.631 578 A CB -0.327 18.670 19.000 -0.005 0.000 0.814 578 A HN 0.518 nan 8.150 nan 0.000 0.446 579 K N -0.726 119.670 120.400 -0.008 0.000 2.570 579 K HA 0.207 4.527 4.320 0.001 0.000 0.210 579 K C -0.354 176.242 176.600 -0.007 0.000 1.048 579 K CA 0.128 56.410 56.287 -0.008 0.000 1.167 579 K CB -0.266 32.227 32.500 -0.012 0.000 0.892 579 K HN 0.604 nan 8.250 nan 0.000 0.480 580 N N 1.083 119.780 118.700 -0.005 0.000 2.714 580 N HA -0.193 4.548 4.740 0.001 0.000 0.250 580 N C -0.872 174.636 175.510 -0.003 0.000 1.117 580 N CA 0.216 53.264 53.050 -0.004 0.000 0.719 580 N CB -0.874 37.611 38.487 -0.003 0.000 1.081 580 N HN 0.294 nan 8.380 nan 0.000 0.557 581 I N 1.081 121.648 120.570 -0.005 0.000 2.321 581 I HA 0.160 4.330 4.170 0.001 0.000 0.291 581 I C 0.226 176.340 176.117 -0.004 0.000 0.998 581 I CA -0.440 60.858 61.300 -0.004 0.000 1.227 581 I CB 1.249 39.246 38.000 -0.006 0.000 1.368 581 I HN -0.048 nan 8.210 nan 0.000 0.466 582 K N 5.822 126.221 120.400 -0.002 0.000 2.285 582 K HA 0.590 4.910 4.320 0.001 0.000 0.286 582 K C -0.404 176.194 176.600 -0.004 0.000 1.072 582 K CA -0.285 56.001 56.287 -0.002 0.000 0.913 582 K CB 1.217 33.717 32.500 -0.001 0.000 1.067 582 K HN 0.672 nan 8.250 nan 0.000 0.479 583 A N 3.940 126.757 122.820 -0.006 0.000 2.318 583 A HA 0.418 4.739 4.320 0.001 0.000 0.324 583 A C -0.627 176.951 177.584 -0.011 0.000 1.170 583 A CA -0.766 51.266 52.037 -0.009 0.000 0.810 583 A CB 0.834 19.828 19.000 -0.011 0.000 1.198 583 A HN 0.794 nan 8.150 nan 0.000 0.484 584 R N 2.151 122.642 120.500 -0.015 0.000 2.407 584 R HA 0.603 4.943 4.340 0.001 0.000 0.303 584 R C -1.532 174.747 176.300 -0.035 0.000 0.981 584 R CA -0.312 55.776 56.100 -0.020 0.000 0.905 584 R CB 1.180 31.469 30.300 -0.018 0.000 1.099 584 R HN 0.459 nan 8.270 nan 0.000 0.459 585 V N 5.321 125.207 119.914 -0.046 0.000 2.357 585 V HA 0.326 4.446 4.120 0.001 0.000 0.284 585 V C -0.364 175.659 176.094 -0.118 0.000 1.018 585 V CA -0.768 61.490 62.300 -0.070 0.000 0.841 585 V CB 1.569 33.357 31.823 -0.058 0.000 0.991 585 V HN 0.509 nan 8.190 nan 0.000 0.437 586 V N 3.820 123.646 119.914 -0.146 0.000 2.435 586 V HA 0.481 4.601 4.120 0.001 0.000 0.290 586 V C 0.298 176.230 176.094 -0.271 0.000 1.030 586 V CA -0.190 61.974 62.300 -0.227 0.000 0.881 586 V CB 2.012 33.709 31.823 -0.209 0.000 0.983 586 V HN 0.866 nan 8.190 nan 0.000 0.445 587 S N 4.909 120.343 115.700 -0.443 0.000 2.462 587 S HA 0.644 5.114 4.470 0.001 0.000 0.294 587 S C -0.625 173.801 174.600 -0.290 0.000 1.144 587 S CA -0.516 57.471 58.200 -0.356 0.000 1.088 587 S CB 0.664 63.577 63.200 -0.479 0.000 1.009 587 S HN 0.664 nan 8.310 nan 0.000 0.484 588 L N 7.932 129.081 121.223 -0.123 0.000 2.502 588 L HA 0.422 4.763 4.340 0.001 0.000 0.247 588 L C -1.571 175.330 176.870 0.052 0.000 1.180 588 L CA -1.916 52.838 54.840 -0.143 0.000 0.956 588 L CB 1.664 43.561 42.059 -0.270 0.000 1.282 588 L HN 0.595 nan 8.230 nan 0.000 0.470 589 P HA -0.077 nan 4.420 nan 0.000 0.225 589 P C -0.202 177.132 177.300 0.057 0.000 1.148 589 P CA 0.911 64.151 63.100 0.233 0.000 0.779 589 P CB 0.318 32.298 31.700 0.467 0.000 0.780 590 D N -2.157 118.170 120.400 -0.123 0.000 2.738 590 D HA 0.151 4.791 4.640 0.001 0.000 0.218 590 D C 0.457 176.787 176.300 0.050 0.000 1.345 590 D CA -0.605 53.215 54.000 -0.299 0.000 0.943 590 D CB 0.354 40.447 40.800 -1.179 0.000 1.514 590 D HN -0.388 nan 8.370 nan 0.000 0.585 591 F N 2.441 122.314 119.950 -0.128 0.000 2.069 591 F HA -0.057 4.471 4.527 0.001 0.000 0.298 591 F C 2.143 177.997 175.800 0.089 0.000 1.113 591 F CA 0.793 58.818 58.000 0.042 0.000 1.214 591 F CB -1.078 37.960 39.000 0.063 0.000 0.978 591 F HN 0.520 nan 8.300 nan 0.000 0.474 592 F N 1.204 121.225 119.950 0.118 0.000 2.032 592 F HA -0.363 4.164 4.527 0.001 0.000 0.297 592 F C 2.526 178.341 175.800 0.025 0.000 1.125 592 F CA 2.739 60.759 58.000 0.033 0.000 1.202 592 F CB -1.035 37.935 39.000 -0.050 0.000 0.958 592 F HN -0.066 nan 8.300 nan 0.000 0.491 593 T N 0.601 115.147 114.554 -0.013 0.000 2.788 593 T HA -0.208 4.143 4.350 0.001 0.000 0.268 593 T C 1.625 176.338 174.700 0.023 0.000 1.044 593 T CA 1.406 63.498 62.100 -0.014 0.000 1.139 593 T CB -0.741 68.136 68.868 0.015 0.000 0.867 593 T HN 0.355 nan 8.240 nan 0.000 0.454 594 F N 2.766 122.670 119.950 -0.078 0.000 2.084 594 F HA -0.077 4.450 4.527 0.001 0.000 0.296 594 F C 1.763 177.550 175.800 -0.022 0.000 1.111 594 F CA 1.167 59.156 58.000 -0.018 0.000 1.224 594 F CB -0.561 38.381 39.000 -0.097 0.000 0.991 594 F HN 0.030 nan 8.300 nan 0.000 0.471 595 D N 0.340 120.655 120.400 -0.142 0.000 2.311 595 D HA -0.150 4.490 4.640 0.001 0.000 0.212 595 D C 1.945 178.080 176.300 -0.276 0.000 0.972 595 D CA 0.887 54.742 54.000 -0.242 0.000 0.887 595 D CB -0.255 40.477 40.800 -0.113 0.000 0.915 595 D HN 0.361 nan 8.370 nan 0.000 0.497 596 K N 0.206 120.437 120.400 -0.281 0.000 2.400 596 K HA 0.031 4.352 4.320 0.001 0.000 0.194 596 K C 0.691 177.204 176.600 -0.146 0.000 1.033 596 K CA 0.114 56.255 56.287 -0.242 0.000 1.021 596 K CB 0.364 32.689 32.500 -0.292 0.000 0.808 596 K HN 0.218 nan 8.250 nan 0.000 0.505 597 Q N 1.445 121.162 119.800 -0.137 0.000 2.394 597 Q HA 0.166 4.506 4.340 0.001 0.000 0.248 597 Q C -2.229 173.732 176.000 -0.066 0.000 0.992 597 Q CA -2.057 53.711 55.803 -0.059 0.000 0.888 597 Q CB -0.140 28.661 28.738 0.106 0.000 1.257 597 Q HN 0.084 nan 8.270 nan 0.000 0.462 598 P HA -0.057 nan 4.420 nan 0.000 0.268 598 P C 0.799 178.092 177.300 -0.011 0.000 1.205 598 P CA -0.228 62.862 63.100 -0.016 0.000 0.771 598 P CB 0.718 32.421 31.700 0.006 0.000 0.858 599 L N 3.642 124.837 121.223 -0.047 0.000 2.051 599 L HA -0.249 4.092 4.340 0.001 0.000 0.214 599 L C 2.412 179.264 176.870 -0.030 0.000 1.076 599 L CA 2.105 56.907 54.840 -0.063 0.000 0.758 599 L CB -1.196 40.828 42.059 -0.058 0.000 0.890 599 L HN 0.497 nan 8.230 nan 0.000 0.433 600 E N -2.264 117.941 120.200 0.009 0.000 2.160 600 E HA -0.316 4.034 4.350 0.001 0.000 0.195 600 E C 2.149 178.791 176.600 0.070 0.000 0.991 600 E CA 1.676 58.095 56.400 0.031 0.000 0.810 600 E CB -0.891 28.834 29.700 0.041 0.000 0.742 600 E HN 0.642 nan 8.360 nan 0.000 0.466 601 Y N 2.127 122.414 120.300 -0.022 0.000 2.153 601 Y HA -0.020 4.531 4.550 0.001 0.000 0.289 601 Y C 2.277 178.195 175.900 0.030 0.000 1.127 601 Y CA 1.355 59.461 58.100 0.010 0.000 1.131 601 Y CB -0.141 38.321 38.460 0.003 0.000 0.995 601 Y HN -0.196 nan 8.280 nan 0.000 0.505 602 R N 0.148 120.520 120.500 -0.213 0.000 2.094 602 R HA -0.204 4.136 4.340 0.001 0.000 0.239 602 R C 2.280 178.513 176.300 -0.112 0.000 1.137 602 R CA 2.242 58.165 56.100 -0.296 0.000 0.943 602 R CB -0.851 29.180 30.300 -0.449 0.000 0.850 602 R HN 0.381 nan 8.270 nan 0.000 0.433 603 L N 0.971 122.147 121.223 -0.077 0.000 2.353 603 L HA -0.134 4.206 4.340 0.001 0.000 0.220 603 L C 2.472 179.320 176.870 -0.037 0.000 1.133 603 L CA 1.123 55.943 54.840 -0.033 0.000 0.798 603 L CB -0.428 41.618 42.059 -0.023 0.000 0.922 603 L HN 0.322 nan 8.230 nan 0.000 0.445 604 S N -1.615 114.043 115.700 -0.070 0.000 2.461 604 S HA -0.032 4.438 4.470 0.001 0.000 0.228 604 S C 1.692 176.248 174.600 -0.074 0.000 1.005 604 S CA 0.506 58.677 58.200 -0.048 0.000 0.942 604 S CB -0.098 63.096 63.200 -0.011 0.000 0.776 604 S HN 0.179 nan 8.310 nan 0.000 0.514 605 V N 0.787 120.620 119.914 -0.134 0.000 2.825 605 V HA 0.358 4.478 4.120 0.001 0.000 0.246 605 V C 0.760 176.825 176.094 -0.048 0.000 1.068 605 V CA 0.757 62.988 62.300 -0.115 0.000 1.088 605 V CB -0.365 31.348 31.823 -0.184 0.000 0.733 605 V HN 0.464 nan 8.190 nan 0.000 0.468 606 L N 2.981 124.205 121.223 0.002 0.000 2.488 606 L HA 0.383 4.723 4.340 0.001 0.000 0.250 606 L C -2.532 174.354 176.870 0.028 0.000 1.280 606 L CA -1.267 53.589 54.840 0.027 0.000 0.929 606 L CB 1.705 43.813 42.059 0.083 0.000 1.200 606 L HN 0.153 nan 8.230 nan 0.000 0.495 607 P HA 0.234 nan 4.420 nan 0.000 0.289 607 P C -0.843 176.476 177.300 0.032 0.000 1.299 607 P CA -0.399 62.711 63.100 0.017 0.000 0.766 607 P CB 1.343 33.047 31.700 0.007 0.000 1.226 608 D N -0.662 119.750 120.400 0.021 0.000 2.387 608 D HA 0.163 4.804 4.640 0.001 0.000 0.251 608 D C 0.560 176.861 176.300 0.002 0.000 1.141 608 D CA 0.131 54.144 54.000 0.021 0.000 0.987 608 D CB -0.287 40.520 40.800 0.010 0.000 1.116 608 D HN 0.345 nan 8.370 nan 0.000 0.491 609 N N -1.471 117.217 118.700 -0.021 0.000 2.800 609 N HA -0.139 4.602 4.740 0.001 0.000 0.250 609 N C -1.216 174.260 175.510 -0.056 0.000 1.078 609 N CA 0.546 53.570 53.050 -0.042 0.000 0.804 609 N CB -1.289 37.184 38.487 -0.023 0.000 1.135 609 N HN 0.140 nan 8.380 nan 0.000 0.565 610 V N -0.374 119.498 119.914 -0.070 0.000 2.777 610 V HA 0.481 4.601 4.120 0.001 0.000 0.306 610 V C -2.318 173.701 176.094 -0.126 0.000 1.112 610 V CA -1.452 60.805 62.300 -0.072 0.000 0.917 610 V CB 3.000 34.810 31.823 -0.021 0.000 1.018 610 V HN -0.158 nan 8.190 nan 0.000 0.426 611 P HA 0.427 nan 4.420 nan 0.000 0.276 611 P C -0.921 176.399 177.300 0.033 0.000 1.230 611 P CA 0.063 63.019 63.100 -0.240 0.000 0.776 611 P CB 1.143 32.761 31.700 -0.137 0.000 0.888 612 I N 3.694 124.412 120.570 0.247 0.000 2.406 612 I HA 0.459 4.629 4.170 0.001 0.000 0.290 612 I C 0.414 176.610 176.117 0.131 0.000 0.999 612 I CA -0.691 60.712 61.300 0.171 0.000 1.124 612 I CB 1.749 39.846 38.000 0.163 0.000 1.289 612 I HN 0.226 nan 8.210 nan 0.000 0.441 613 M N 6.058 125.687 119.600 0.048 0.000 2.393 613 M HA 0.506 4.986 4.480 0.001 0.000 0.316 613 M C -0.767 175.482 176.300 -0.085 0.000 1.087 613 M CA -0.340 54.966 55.300 0.009 0.000 0.937 613 M CB 1.971 34.575 32.600 0.007 0.000 1.668 613 M HN 0.683 nan 8.290 nan 0.000 0.438 614 S N 3.264 118.847 115.700 -0.195 0.000 2.565 614 S HA 0.796 5.267 4.470 0.001 0.000 0.290 614 S C -0.856 173.498 174.600 -0.410 0.000 1.150 614 S CA -0.776 57.124 58.200 -0.500 0.000 1.058 614 S CB 1.811 64.315 63.200 -1.160 0.000 1.032 614 S HN 0.557 nan 8.310 nan 0.000 0.510 615 V N 1.944 121.627 119.914 -0.384 0.000 2.409 615 V HA 0.657 4.777 4.120 0.001 0.000 0.290 615 V C -0.435 175.574 176.094 -0.140 0.000 1.017 615 V CA -0.299 61.922 62.300 -0.132 0.000 0.841 615 V CB 0.882 32.728 31.823 0.038 0.000 1.003 615 V HN 1.053 nan 8.190 nan 0.000 0.426 616 E N 3.083 123.208 120.200 -0.125 0.000 2.397 616 E HA 0.289 4.639 4.350 0.001 0.000 0.293 616 E C -0.294 176.135 176.600 -0.286 0.000 0.930 616 E CA -0.655 55.684 56.400 -0.101 0.000 0.793 616 E CB 2.452 32.199 29.700 0.079 0.000 1.259 616 E HN 0.545 nan 8.360 nan 0.000 0.406 617 V N 2.676 122.296 119.914 -0.489 0.000 3.297 617 V HA 0.230 4.350 4.120 0.001 0.000 0.357 617 V C -0.121 175.664 176.094 -0.515 0.000 1.238 617 V CA 0.489 62.283 62.300 -0.844 0.000 1.454 617 V CB -1.703 29.592 31.823 -0.880 0.000 1.159 617 V HN 0.415 nan 8.190 nan 0.000 0.435 618 L N -0.106 120.938 121.223 -0.298 0.000 2.305 618 L HA 0.886 5.227 4.340 0.001 0.000 0.239 618 L C 0.643 177.458 176.870 -0.092 0.000 1.146 618 L CA -0.352 54.377 54.840 -0.186 0.000 1.038 618 L CB 0.664 42.665 42.059 -0.095 0.000 1.591 618 L HN 0.096 nan 8.230 nan 0.000 0.438 619 A N -0.492 122.300 122.820 -0.046 0.000 2.498 619 A HA 0.378 4.698 4.320 0.001 0.000 0.239 619 A C 0.874 178.536 177.584 0.130 0.000 1.068 619 A CA 0.667 52.704 52.037 0.000 0.000 0.766 619 A CB -0.176 18.811 19.000 -0.021 0.000 1.003 619 A HN 0.826 nan 8.150 nan 0.000 0.497 620 T N -1.350 113.283 114.554 0.131 0.000 3.107 620 T HA -0.010 4.341 4.350 0.001 0.000 0.249 620 T C 1.334 176.180 174.700 0.243 0.000 1.096 620 T CA 0.872 63.118 62.100 0.243 0.000 1.012 620 T CB -0.741 68.213 68.868 0.143 0.000 0.977 620 T HN 0.903 nan 8.240 nan 0.000 0.527 621 T N 0.030 114.669 114.554 0.142 0.000 2.977 621 T HA -0.124 4.226 4.350 0.001 0.000 0.271 621 T C 2.016 176.771 174.700 0.092 0.000 1.105 621 T CA 1.016 63.172 62.100 0.093 0.000 1.116 621 T CB -1.261 67.628 68.868 0.034 0.000 0.878 621 T HN 0.776 nan 8.240 nan 0.000 0.509 622 C N -2.787 116.578 119.300 0.109 0.000 3.038 622 C HA 0.505 4.965 4.460 0.001 0.000 0.279 622 C C 1.968 176.994 174.990 0.060 0.000 1.276 622 C CA -1.585 57.460 59.018 0.044 0.000 1.697 622 C CB -2.071 25.648 27.740 -0.035 0.000 2.032 622 C HN 0.590 nan 8.230 nan 0.000 0.636 623 W N 2.053 123.451 121.300 0.164 0.000 2.678 623 W HA 0.219 4.880 4.660 0.000 0.000 0.256 623 W C 2.377 178.918 176.519 0.037 0.000 1.280 623 W CA 0.788 58.229 57.345 0.160 0.000 1.345 623 W CB -0.249 29.306 29.460 0.158 0.000 1.118 623 W HN 0.471 nan 8.180 nan 0.000 0.629 624 G N 1.248 110.160 108.800 0.186 0.000 2.527 624 G HA2 -0.281 3.680 3.960 0.001 0.000 0.219 624 G HA3 -0.281 3.680 3.960 0.001 0.000 0.219 624 G C 1.497 176.358 174.900 -0.065 0.000 1.117 624 G CA 1.046 46.186 45.100 0.066 0.000 0.759 624 G HN 0.402 nan 8.290 nan 0.000 0.556 625 K N -0.952 119.324 120.400 -0.208 0.000 2.432 625 K HA 0.085 4.405 4.320 0.001 0.000 0.196 625 K C 0.929 177.209 176.600 -0.534 0.000 1.038 625 K CA 0.703 56.712 56.287 -0.462 0.000 0.986 625 K CB -0.076 32.002 32.500 -0.704 0.000 0.782 625 K HN 0.431 nan 8.250 nan 0.000 0.485 626 Y N 0.174 120.441 120.300 -0.055 0.000 2.435 626 Y HA 0.400 4.950 4.550 0.000 0.000 0.270 626 Y C 0.709 176.593 175.900 -0.026 0.000 1.093 626 Y CA -0.479 57.597 58.100 -0.040 0.000 1.226 626 Y CB 0.790 39.224 38.460 -0.044 0.000 1.289 626 Y HN 0.108 nan 8.280 nan 0.000 0.529 627 A N -0.268 122.663 122.820 0.186 0.000 2.337 627 A HA 0.545 4.866 4.320 0.001 0.000 0.331 627 A C 0.066 177.613 177.584 -0.062 0.000 1.137 627 A CA -0.398 51.682 52.037 0.072 0.000 0.807 627 A CB 0.757 19.856 19.000 0.165 0.000 1.250 627 A HN 0.330 nan 8.150 nan 0.000 0.468 628 H N 0.201 119.310 119.070 0.066 0.000 2.431 628 H HA 0.126 4.683 4.556 0.001 0.000 0.295 628 H C -0.168 175.227 175.328 0.111 0.000 1.038 628 H CA 1.138 57.224 56.048 0.063 0.000 1.360 628 H CB 0.542 30.280 29.762 -0.040 0.000 1.433 628 H HN 0.560 nan 8.280 nan 0.000 0.536 629 Q N 0.558 120.475 119.800 0.195 0.000 2.359 629 Q HA 0.410 4.750 4.340 0.001 0.000 0.274 629 Q C -0.909 175.117 176.000 0.044 0.000 1.074 629 Q CA -0.433 55.428 55.803 0.097 0.000 0.810 629 Q CB 3.194 31.965 28.738 0.055 0.000 1.342 629 Q HN -0.022 nan 8.270 nan 0.000 0.427 630 S N 1.672 117.391 115.700 0.031 0.000 2.502 630 S HA 0.602 5.072 4.470 0.001 0.000 0.304 630 S C -1.127 173.521 174.600 0.080 0.000 1.097 630 S CA -0.559 57.639 58.200 -0.004 0.000 1.045 630 S CB 0.929 64.137 63.200 0.014 0.000 1.019 630 S HN 0.453 nan 8.310 nan 0.000 0.481 631 F N 2.873 122.743 119.950 -0.134 0.000 2.388 631 F HA 0.790 5.317 4.527 0.000 0.000 0.358 631 F C 0.361 176.209 175.800 0.081 0.000 1.122 631 F CA -0.556 57.398 58.000 -0.078 0.000 1.056 631 F CB 0.525 39.433 39.000 -0.154 0.000 1.155 631 F HN 0.723 nan 8.300 nan 0.000 0.461 632 G N 5.607 114.444 108.800 0.062 0.000 2.570 632 G HA2 0.468 4.428 3.960 0.001 0.000 0.310 632 G HA3 0.468 4.428 3.960 0.001 0.000 0.310 632 G C -1.909 173.015 174.900 0.041 0.000 1.266 632 G CA -0.840 44.281 45.100 0.036 0.000 0.825 632 G HN 0.512 nan 8.290 nan 0.000 0.483 633 I N 0.875 121.370 120.570 -0.125 0.000 2.433 633 I HA 0.363 4.534 4.170 0.001 0.000 0.292 633 I C -0.922 175.108 176.117 -0.144 0.000 1.001 633 I CA -0.613 60.582 61.300 -0.176 0.000 1.119 633 I CB 2.185 39.919 38.000 -0.445 0.000 1.289 633 I HN 0.342 nan 8.210 nan 0.000 0.438 634 D N 6.828 127.167 120.400 -0.101 0.000 2.891 634 D HA 0.197 4.837 4.640 0.001 0.000 0.332 634 D C -0.336 175.873 176.300 -0.153 0.000 1.369 634 D CA -0.129 53.802 54.000 -0.115 0.000 0.827 634 D CB 0.765 41.533 40.800 -0.053 0.000 1.141 634 D HN 0.603 nan 8.370 nan 0.000 0.464 635 R N -1.524 118.861 120.500 -0.193 0.000 2.663 635 R HA 0.428 4.768 4.340 0.001 0.000 0.267 635 R C -1.072 175.119 176.300 -0.183 0.000 1.038 635 R CA -0.749 55.243 56.100 -0.180 0.000 0.886 635 R CB 0.406 30.726 30.300 0.034 0.000 1.249 635 R HN -0.345 nan 8.270 nan 0.000 0.463 636 F N 1.095 121.074 119.950 0.049 0.000 2.545 636 F HA 0.319 4.846 4.527 0.001 0.000 0.348 636 F C 1.780 177.643 175.800 0.105 0.000 1.163 636 F CA 1.487 59.512 58.000 0.041 0.000 1.331 636 F CB 0.402 39.433 39.000 0.051 0.000 1.138 636 F HN 0.803 nan 8.300 nan 0.000 0.602 637 G N 0.144 109.097 108.800 0.255 0.000 2.479 637 G HA2 0.531 4.491 3.960 0.001 0.000 0.275 637 G HA3 0.531 4.491 3.960 0.001 0.000 0.275 637 G C -0.961 174.144 174.900 0.343 0.000 1.421 637 G CA 0.090 45.334 45.100 0.240 0.000 1.059 637 G HN 0.941 nan 8.290 nan 0.000 0.535 638 A N -1.940 121.056 122.820 0.294 0.000 2.593 638 A HA 0.723 5.043 4.320 0.001 0.000 0.290 638 A C -0.393 177.224 177.584 0.055 0.000 1.126 638 A CA -0.226 51.899 52.037 0.146 0.000 0.695 638 A CB 1.317 20.348 19.000 0.051 0.000 1.290 638 A HN 1.085 nan 8.150 nan 0.000 0.414 639 S N -0.994 114.699 115.700 -0.011 0.000 2.489 639 S HA 0.779 5.249 4.470 0.001 0.000 0.291 639 S C 0.079 174.647 174.600 -0.054 0.000 1.151 639 S CA 0.576 58.759 58.200 -0.027 0.000 1.082 639 S CB 0.906 64.087 63.200 -0.032 0.000 1.019 639 S HN 2.415 nan 8.310 nan 0.000 0.492 640 G N 3.288 112.068 108.800 -0.033 0.000 2.352 640 G HA2 0.143 4.104 3.960 0.001 0.000 0.302 640 G HA3 0.143 4.104 3.960 0.001 0.000 0.302 640 G C -1.917 172.983 174.900 0.001 0.000 1.370 640 G CA -1.115 43.965 45.100 -0.033 0.000 0.918 640 G HN 0.714 nan 8.290 nan 0.000 0.610 641 K N 0.612 121.019 120.400 0.012 0.000 2.489 641 K HA 0.377 4.697 4.320 0.001 0.000 0.278 641 K C 1.679 178.327 176.600 0.081 0.000 1.000 641 K CA 0.388 56.699 56.287 0.039 0.000 1.012 641 K CB 1.231 33.753 32.500 0.037 0.000 0.903 641 K HN 0.861 nan 8.250 nan 0.000 0.485 642 A N 6.025 128.908 122.820 0.106 0.000 1.915 642 A HA -0.171 4.149 4.320 0.001 0.000 0.220 642 A C -0.581 177.208 177.584 0.342 0.000 1.198 642 A CA 1.592 53.748 52.037 0.199 0.000 0.647 642 A CB -1.253 17.869 19.000 0.204 0.000 0.825 642 A HN 0.650 nan 8.150 nan 0.000 0.456 643 P HA -0.110 nan 4.420 nan 0.000 0.216 643 P C 1.147 178.589 177.300 0.238 0.000 1.153 643 P CA 1.291 64.524 63.100 0.222 0.000 0.844 643 P CB -0.104 31.659 31.700 0.104 0.000 0.787 644 E N -0.445 119.853 120.200 0.164 0.000 2.153 644 E HA -0.101 4.249 4.350 0.001 0.000 0.194 644 E C 1.899 178.606 176.600 0.179 0.000 0.988 644 E CA 1.091 57.570 56.400 0.132 0.000 0.811 644 E CB -0.590 29.144 29.700 0.056 0.000 0.746 644 E HN 0.129 nan 8.360 nan 0.000 0.466 645 V N 0.707 120.744 119.914 0.205 0.000 2.379 645 V HA -0.207 3.913 4.120 0.001 0.000 0.245 645 V C 1.984 178.342 176.094 0.440 0.000 1.044 645 V CA 1.521 63.974 62.300 0.256 0.000 1.036 645 V CB -0.601 31.330 31.823 0.181 0.000 0.664 645 V HN 0.120 nan 8.190 nan 0.000 0.453 646 F N 0.775 120.907 119.950 0.304 0.000 2.102 646 F HA -0.146 4.381 4.527 0.000 0.000 0.298 646 F C 2.452 178.460 175.800 0.347 0.000 1.105 646 F CA 1.777 59.971 58.000 0.325 0.000 1.239 646 F CB -0.370 38.747 39.000 0.196 0.000 0.991 646 F HN 0.022 nan 8.300 nan 0.000 0.474 647 K N -0.793 119.871 120.400 0.441 0.000 2.097 647 K HA -0.206 4.115 4.320 0.001 0.000 0.206 647 K C 2.001 178.757 176.600 0.259 0.000 1.049 647 K CA 1.442 57.906 56.287 0.296 0.000 0.933 647 K CB -0.585 32.037 32.500 0.203 0.000 0.717 647 K HN 0.196 nan 8.250 nan 0.000 0.442 648 F N 0.880 120.871 119.950 0.068 0.000 2.161 648 F HA -0.169 4.358 4.527 0.001 0.000 0.300 648 F C 1.312 177.009 175.800 -0.172 0.000 1.089 648 F CA 1.371 59.294 58.000 -0.128 0.000 1.282 648 F CB -0.145 38.665 39.000 -0.316 0.000 1.010 648 F HN -0.118 nan 8.300 nan 0.000 0.485 649 F N 0.179 120.173 119.950 0.073 0.000 2.765 649 F HA 0.322 4.849 4.527 0.001 0.000 0.302 649 F C 1.947 177.854 175.800 0.180 0.000 1.111 649 F CA 0.585 58.612 58.000 0.044 0.000 1.359 649 F CB -0.122 39.000 39.000 0.203 0.000 1.097 649 F HN 0.145 nan 8.300 nan 0.000 0.577 650 G N -0.346 108.617 108.800 0.272 0.000 2.176 650 G HA2 -0.320 3.640 3.960 0.001 0.000 0.253 650 G HA3 -0.320 3.640 3.960 0.001 0.000 0.253 650 G C 0.354 175.360 174.900 0.177 0.000 0.979 650 G CA -0.398 44.809 45.100 0.178 0.000 0.641 650 G HN 0.220 nan 8.290 nan 0.000 0.530 651 F N 3.198 123.353 119.950 0.342 0.000 2.666 651 F HA 0.444 4.971 4.527 0.000 0.000 0.362 651 F C 1.406 177.342 175.800 0.226 0.000 1.190 651 F CA 0.752 58.932 58.000 0.300 0.000 1.328 651 F CB -0.091 39.081 39.000 0.286 0.000 1.682 651 F HN 0.246 nan 8.300 nan 0.000 0.623 652 T N -2.803 111.888 114.554 0.228 0.000 2.924 652 T HA 0.394 4.745 4.350 0.001 0.000 0.291 652 T C -2.048 172.704 174.700 0.087 0.000 1.045 652 T CA -2.427 59.753 62.100 0.133 0.000 1.015 652 T CB 2.290 71.217 68.868 0.098 0.000 1.103 652 T HN -0.160 nan 8.240 nan 0.000 0.496 653 P HA -0.106 nan 4.420 nan 0.000 0.215 653 P C 1.259 178.565 177.300 0.009 0.000 1.157 653 P CA 1.160 64.278 63.100 0.030 0.000 0.874 653 P CB 0.124 31.833 31.700 0.015 0.000 0.790 654 E N -0.919 119.282 120.200 0.002 0.000 2.077 654 E HA -0.093 4.257 4.350 0.001 0.000 0.193 654 E C 2.262 178.832 176.600 -0.050 0.000 0.989 654 E CA 1.541 57.929 56.400 -0.021 0.000 0.800 654 E CB -1.372 28.318 29.700 -0.016 0.000 0.746 654 E HN 0.185 nan 8.360 nan 0.000 0.452 655 G N 0.109 108.885 108.800 -0.041 0.000 2.440 655 G HA2 -0.249 3.711 3.960 0.001 0.000 0.218 655 G HA3 -0.249 3.711 3.960 0.001 0.000 0.218 655 G C 1.689 176.457 174.900 -0.220 0.000 1.154 655 G CA 1.109 46.145 45.100 -0.108 0.000 0.767 655 G HN 0.206 nan 8.290 nan 0.000 0.552 656 V N 1.391 121.244 119.914 -0.100 0.000 2.379 656 V HA -0.042 4.079 4.120 0.001 0.000 0.245 656 V C 3.305 179.316 176.094 -0.138 0.000 1.044 656 V CA 1.793 64.027 62.300 -0.110 0.000 1.036 656 V CB -0.856 31.017 31.823 0.084 0.000 0.664 656 V HN 0.469 nan 8.190 nan 0.000 0.453 657 A N -0.155 122.616 122.820 -0.083 0.000 1.892 657 A HA -0.320 4.001 4.320 0.001 0.000 0.218 657 A C 2.301 179.824 177.584 -0.101 0.000 1.188 657 A CA 2.236 54.230 52.037 -0.072 0.000 0.631 657 A CB -0.608 18.364 19.000 -0.046 0.000 0.822 657 A HN 0.623 nan 8.150 nan 0.000 0.447 658 E N -0.512 119.610 120.200 -0.129 0.000 2.085 658 E HA -0.244 4.107 4.350 0.001 0.000 0.194 658 E C 2.242 178.736 176.600 -0.177 0.000 0.994 658 E CA 1.320 57.637 56.400 -0.139 0.000 0.801 658 E CB -0.094 29.516 29.700 -0.151 0.000 0.743 658 E HN 0.594 nan 8.360 nan 0.000 0.453 659 R N -0.307 120.033 120.500 -0.267 0.000 2.115 659 R HA -0.030 4.311 4.340 0.001 0.000 0.226 659 R C 2.278 178.466 176.300 -0.188 0.000 1.100 659 R CA 0.971 56.885 56.100 -0.309 0.000 0.980 659 R CB -0.125 29.830 30.300 -0.575 0.000 0.875 659 R HN 0.173 nan 8.270 nan 0.000 0.445 660 A N 0.807 123.545 122.820 -0.136 0.000 1.873 660 A HA -0.204 4.116 4.320 0.001 0.000 0.215 660 A C 1.969 179.526 177.584 -0.044 0.000 1.186 660 A CA 1.145 53.141 52.037 -0.068 0.000 0.616 660 A CB -0.362 18.608 19.000 -0.049 0.000 0.823 660 A HN 0.307 nan 8.150 nan 0.000 0.442 661 Q N -0.211 119.556 119.800 -0.055 0.000 2.061 661 Q HA -0.188 4.152 4.340 0.001 0.000 0.204 661 Q C 1.938 177.922 176.000 -0.027 0.000 0.984 661 Q CA 1.535 57.317 55.803 -0.035 0.000 0.846 661 Q CB -0.241 28.470 28.738 -0.044 0.000 0.902 661 Q HN 0.509 nan 8.270 nan 0.000 0.421 662 K N 0.013 120.378 120.400 -0.058 0.000 2.147 662 K HA -0.080 4.240 4.320 0.001 0.000 0.205 662 K C 2.017 178.601 176.600 -0.026 0.000 1.049 662 K CA 1.284 57.538 56.287 -0.055 0.000 0.936 662 K CB -0.323 32.112 32.500 -0.110 0.000 0.722 662 K HN 0.224 nan 8.250 nan 0.000 0.446 663 T N 1.825 116.365 114.554 -0.024 0.000 2.904 663 T HA 0.037 4.387 4.350 0.001 0.000 0.267 663 T C 2.040 176.860 174.700 0.200 0.000 1.059 663 T CA 0.645 62.776 62.100 0.052 0.000 1.137 663 T CB -0.012 68.892 68.868 0.060 0.000 0.879 663 T HN 0.124 nan 8.240 nan 0.000 0.467 664 I N 1.212 121.854 120.570 0.121 0.000 2.233 664 I HA -0.076 4.095 4.170 0.001 0.000 0.243 664 I C 2.938 179.123 176.117 0.114 0.000 1.093 664 I CA 0.938 62.312 61.300 0.124 0.000 1.380 664 I CB -0.462 37.572 38.000 0.057 0.000 1.067 664 I HN 0.176 nan 8.210 nan 0.000 0.413 665 A N 0.699 123.562 122.820 0.071 0.000 1.933 665 A HA -0.257 4.064 4.320 0.001 0.000 0.218 665 A C 2.224 179.835 177.584 0.046 0.000 1.175 665 A CA 1.303 53.367 52.037 0.044 0.000 0.628 665 A CB -0.987 18.026 19.000 0.021 0.000 0.814 665 A HN 0.474 nan 8.150 nan 0.000 0.444 666 F N -1.246 118.623 119.950 -0.135 0.000 2.269 666 F HA -0.137 4.390 4.527 0.001 0.000 0.301 666 F C 1.580 177.173 175.800 -0.345 0.000 1.082 666 F CA 1.428 59.261 58.000 -0.279 0.000 1.360 666 F CB -0.002 38.744 39.000 -0.422 0.000 1.041 666 F HN 0.290 nan 8.300 nan 0.000 0.512 667 Y N -0.092 120.274 120.300 0.110 0.000 2.444 667 Y HA 0.225 4.775 4.550 0.001 0.000 0.249 667 Y C 0.714 176.583 175.900 -0.052 0.000 1.134 667 Y CA -0.515 57.586 58.100 0.000 0.000 1.261 667 Y CB -0.355 38.136 38.460 0.051 0.000 1.143 667 Y HN -0.372 nan 8.280 nan 0.000 0.523 668 K N 1.011 121.459 120.400 0.081 0.000 2.491 668 K HA 0.080 4.400 4.320 0.001 0.000 0.279 668 K C 1.236 177.837 176.600 0.003 0.000 1.026 668 K CA 1.183 57.490 56.287 0.033 0.000 1.070 668 K CB -0.028 32.478 32.500 0.009 0.000 0.887 668 K HN 0.579 nan 8.250 nan 0.000 0.481 669 G N 3.085 111.888 108.800 0.005 0.000 2.213 669 G HA2 -0.204 3.756 3.960 0.001 0.000 0.236 669 G HA3 -0.204 3.756 3.960 0.001 0.000 0.236 669 G C -0.226 174.671 174.900 -0.005 0.000 0.991 669 G CA -0.012 45.083 45.100 -0.009 0.000 0.629 669 G HN 0.588 nan 8.290 nan 0.000 0.517 670 D N 0.801 121.212 120.400 0.018 0.000 2.193 670 D HA 0.553 5.193 4.640 0.001 0.000 0.249 670 D C 0.506 176.805 176.300 -0.001 0.000 1.034 670 D CA -0.166 53.849 54.000 0.024 0.000 0.902 670 D CB 1.463 42.322 40.800 0.098 0.000 1.182 670 D HN 0.675 nan 8.370 nan 0.000 0.436 671 K N 0.853 121.245 120.400 -0.015 0.000 2.156 671 K HA 0.598 4.919 4.320 0.001 0.000 0.271 671 K C -0.922 175.639 176.600 -0.066 0.000 0.995 671 K CA -0.625 55.641 56.287 -0.035 0.000 0.890 671 K CB 0.938 33.426 32.500 -0.019 0.000 1.073 671 K HN 0.297 nan 8.250 nan 0.000 0.454 672 L N 3.632 124.787 121.223 -0.114 0.000 2.334 672 L HA 0.554 4.894 4.340 0.001 0.000 0.273 672 L C -0.563 176.280 176.870 -0.045 0.000 1.013 672 L CA -1.269 53.469 54.840 -0.169 0.000 0.816 672 L CB 1.527 43.309 42.059 -0.461 0.000 1.278 672 L HN 0.636 nan 8.230 nan 0.000 0.431 673 I N 0.819 121.417 120.570 0.046 0.000 2.436 673 I HA 0.187 4.357 4.170 0.001 0.000 0.289 673 I C 0.381 176.584 176.117 0.143 0.000 1.010 673 I CA -0.233 61.113 61.300 0.077 0.000 1.098 673 I CB 2.048 40.076 38.000 0.048 0.000 1.266 673 I HN 0.578 nan 8.210 nan 0.000 0.434 674 S N 6.941 122.694 115.700 0.088 0.000 2.642 674 S HA 0.036 4.506 4.470 0.001 0.000 0.308 674 S C -1.554 173.024 174.600 -0.038 0.000 1.255 674 S CA -0.533 57.691 58.200 0.041 0.000 1.057 674 S CB 0.493 63.708 63.200 0.025 0.000 0.785 674 S HN 0.402 nan 8.310 nan 0.000 0.500 675 P HA 0.003 nan 4.420 nan 0.000 0.228 675 P C 1.085 178.318 177.300 -0.112 0.000 1.151 675 P CA 0.687 63.691 63.100 -0.160 0.000 0.770 675 P CB 0.067 31.628 31.700 -0.232 0.000 0.786 676 L N -1.210 119.977 121.223 -0.061 0.000 2.362 676 L HA -0.088 4.252 4.340 0.001 0.000 0.219 676 L C 0.904 177.723 176.870 -0.085 0.000 1.134 676 L CA 0.953 55.760 54.840 -0.056 0.000 0.807 676 L CB -0.493 41.568 42.059 0.003 0.000 0.927 676 L HN -0.020 nan 8.230 nan 0.000 0.447 677 K N 1.746 122.101 120.400 -0.075 0.000 2.284 677 K HA 0.184 4.504 4.320 0.001 0.000 0.287 677 K C -0.326 176.205 176.600 -0.115 0.000 1.081 677 K CA -0.139 56.100 56.287 -0.080 0.000 0.910 677 K CB 0.676 33.147 32.500 -0.048 0.000 1.088 677 K HN 0.003 nan 8.250 nan 0.000 0.478 678 K N 1.429 121.736 120.400 -0.155 0.000 2.143 678 K HA 0.232 4.553 4.320 0.001 0.000 0.272 678 K C 0.539 177.001 176.600 -0.230 0.000 1.001 678 K CA -0.303 55.834 56.287 -0.250 0.000 0.915 678 K CB 1.746 34.064 32.500 -0.302 0.000 1.047 678 K HN 0.564 nan 8.250 nan 0.000 0.458 679 A N 2.875 125.516 122.820 -0.297 0.000 2.218 679 A HA 0.162 4.483 4.320 0.001 0.000 0.209 679 A C 0.145 177.735 177.584 0.011 0.000 1.168 679 A CA 0.517 52.491 52.037 -0.105 0.000 0.804 679 A CB -0.367 18.652 19.000 0.032 0.000 0.834 679 A HN 0.668 nan 8.150 nan 0.000 0.482 680 F N 0.000 119.942 119.950 -0.013 0.000 2.286 680 F HA 0.000 4.527 4.527 0.000 0.000 0.279 680 F CA 0.000 57.993 58.000 -0.012 0.000 1.383 680 F CB 0.000 38.994 39.000 -0.009 0.000 1.145 680 F HN 0.000 nan 8.300 nan 0.000 0.574