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_A 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 0.000 175.759 176.000 -0.402 0.000 1.003 3 Q CA 0.000 55.619 55.803 -0.307 0.000 1.022 3 Q CB 0.000 28.654 28.738 -0.141 0.000 1.108 4 F N 1.709 121.678 119.950 0.033 0.000 2.420 4 F HA 0.605 5.133 4.527 0.002 0.000 0.342 4 F C 1.284 177.092 175.800 0.013 0.000 1.113 4 F CA -0.212 57.810 58.000 0.038 0.000 1.059 4 F CB 1.607 40.633 39.000 0.044 0.000 1.128 4 F HN 0.421 nan 8.300 nan 0.000 0.475 5 T N -2.255 112.404 114.554 0.174 0.000 2.804 5 T HA 0.281 4.632 4.350 0.002 0.000 0.272 5 T C 0.784 175.500 174.700 0.027 0.000 0.986 5 T CA -0.747 61.397 62.100 0.073 0.000 0.999 5 T CB 1.095 69.983 68.868 0.034 0.000 1.307 5 T HN 0.439 nan 8.240 nan 0.000 0.586 6 D N -0.194 120.201 120.400 -0.008 0.000 2.182 6 D HA -0.093 4.548 4.640 0.002 0.000 0.201 6 D C 1.813 178.059 176.300 -0.089 0.000 0.986 6 D CA 0.944 54.920 54.000 -0.041 0.000 0.847 6 D CB -0.125 40.654 40.800 -0.035 0.000 0.942 6 D HN 0.429 nan 8.370 nan 0.000 0.467 7 I N 1.380 121.882 120.570 -0.113 0.000 2.394 7 I HA -0.200 3.971 4.170 0.002 0.000 0.251 7 I C 1.443 177.361 176.117 -0.331 0.000 1.136 7 I CA 1.488 62.655 61.300 -0.222 0.000 1.425 7 I CB -0.089 37.754 38.000 -0.261 0.000 1.079 7 I HN -0.141 nan 8.210 nan 0.000 0.425 8 D N 0.375 120.649 120.400 -0.210 0.000 2.183 8 D HA -0.142 4.499 4.640 0.002 0.000 0.203 8 D C 1.945 178.073 176.300 -0.287 0.000 0.969 8 D CA 0.943 54.847 54.000 -0.158 0.000 0.842 8 D CB 0.059 41.000 40.800 0.235 0.000 0.957 8 D HN 0.473 nan 8.370 nan 0.000 0.484 9 K N 0.378 120.667 120.400 -0.184 0.000 2.116 9 K HA -0.057 4.264 4.320 0.002 0.000 0.203 9 K C 2.072 178.550 176.600 -0.204 0.000 1.052 9 K CA 0.171 56.345 56.287 -0.188 0.000 0.952 9 K CB 0.055 32.487 32.500 -0.113 0.000 0.729 9 K HN -0.007 nan 8.250 nan 0.000 0.446 10 L N 1.420 122.535 121.223 -0.180 0.000 2.056 10 L HA -0.065 4.276 4.340 0.002 0.000 0.207 10 L C 2.222 178.999 176.870 -0.155 0.000 1.078 10 L CA 1.671 56.439 54.840 -0.120 0.000 0.749 10 L CB -0.723 41.265 42.059 -0.118 0.000 0.901 10 L HN 0.107 nan 8.230 nan 0.000 0.433 11 A N -0.940 121.693 122.820 -0.311 0.000 1.883 11 A HA -0.186 4.135 4.320 0.002 0.000 0.217 11 A C 2.269 179.663 177.584 -0.316 0.000 1.186 11 A CA 2.234 54.053 52.037 -0.364 0.000 0.624 11 A CB -1.220 17.403 19.000 -0.628 0.000 0.822 11 A HN 0.314 nan 8.150 nan 0.000 0.444 12 V N -0.178 119.480 119.914 -0.428 0.000 2.407 12 V HA -0.224 3.897 4.120 0.002 0.000 0.248 12 V C 2.779 178.705 176.094 -0.279 0.000 1.055 12 V CA 2.304 64.404 62.300 -0.333 0.000 1.049 12 V CB -0.781 30.835 31.823 -0.345 0.000 0.662 12 V HN 0.566 nan 8.190 nan 0.000 0.455 13 S N -0.359 115.172 115.700 -0.283 0.000 2.355 13 S HA -0.192 4.279 4.470 0.002 0.000 0.222 13 S C 2.111 176.523 174.600 -0.314 0.000 1.031 13 S CA 1.883 59.888 58.200 -0.326 0.000 0.993 13 S CB -0.435 62.669 63.200 -0.159 0.000 0.859 13 S HN 0.674 nan 8.310 nan 0.000 0.453 14 T N 2.697 117.146 114.554 -0.175 0.000 2.737 14 T HA -0.046 4.305 4.350 0.002 0.000 0.269 14 T C 1.680 176.276 174.700 -0.173 0.000 1.040 14 T CA 1.152 63.157 62.100 -0.158 0.000 1.142 14 T CB -0.426 68.481 68.868 0.064 0.000 0.861 14 T HN 0.324 nan 8.240 nan 0.000 0.456 15 I N 0.450 120.940 120.570 -0.134 0.000 2.202 15 I HA -0.146 4.025 4.170 0.002 0.000 0.242 15 I C 2.826 178.863 176.117 -0.133 0.000 1.091 15 I CA 1.224 62.457 61.300 -0.111 0.000 1.368 15 I CB -0.332 37.608 38.000 -0.100 0.000 1.058 15 I HN 0.136 nan 8.210 nan 0.000 0.410 16 R N 0.832 121.246 120.500 -0.144 0.000 2.073 16 R HA -0.132 4.209 4.340 0.002 0.000 0.234 16 R C 2.321 178.557 176.300 -0.106 0.000 1.134 16 R CA 1.500 57.549 56.100 -0.085 0.000 0.952 16 R CB -0.546 29.745 30.300 -0.016 0.000 0.850 16 R HN 0.340 nan 8.270 nan 0.000 0.433 17 I N 0.753 121.209 120.570 -0.189 0.000 2.361 17 I HA -0.256 3.915 4.170 0.002 0.000 0.251 17 I C 2.315 178.268 176.117 -0.273 0.000 1.133 17 I CA 0.717 61.861 61.300 -0.260 0.000 1.413 17 I CB -0.175 37.522 38.000 -0.504 0.000 1.073 17 I HN 0.087 nan 8.210 nan 0.000 0.424 18 L N 0.864 121.942 121.223 -0.243 0.000 2.093 18 L HA -0.091 4.250 4.340 0.002 0.000 0.208 18 L C 2.525 179.270 176.870 -0.208 0.000 1.085 18 L CA 1.980 56.685 54.840 -0.224 0.000 0.755 18 L CB -0.728 41.268 42.059 -0.105 0.000 0.904 18 L HN 0.190 nan 8.230 nan 0.000 0.435 19 A N -1.586 121.141 122.820 -0.155 0.000 1.929 19 A HA -0.091 4.230 4.320 0.002 0.000 0.216 19 A C 2.241 179.744 177.584 -0.135 0.000 1.176 19 A CA 1.621 53.575 52.037 -0.139 0.000 0.628 19 A CB -0.836 18.101 19.000 -0.104 0.000 0.816 19 A HN 0.256 nan 8.150 nan 0.000 0.444 20 V N 0.521 120.354 119.914 -0.135 0.000 2.358 20 V HA -0.214 3.907 4.120 0.002 0.000 0.246 20 V C 2.134 178.135 176.094 -0.156 0.000 1.047 20 V CA 2.246 64.480 62.300 -0.111 0.000 1.035 20 V CB -0.730 31.036 31.823 -0.095 0.000 0.658 20 V HN 0.467 nan 8.190 nan 0.000 0.452 21 D N -0.094 120.122 120.400 -0.306 0.000 2.144 21 D HA -0.126 4.515 4.640 0.002 0.000 0.199 21 D C 2.307 178.423 176.300 -0.308 0.000 0.984 21 D CA 1.768 55.477 54.000 -0.484 0.000 0.834 21 D CB -0.347 39.811 40.800 -1.071 0.000 0.955 21 D HN 0.386 nan 8.370 nan 0.000 0.465 22 T N 0.338 114.765 114.554 -0.212 0.000 2.708 22 T HA -0.090 4.261 4.350 0.002 0.000 0.266 22 T C 2.229 177.024 174.700 0.158 0.000 1.037 22 T CA 0.820 62.988 62.100 0.112 0.000 1.146 22 T CB -0.271 68.565 68.868 -0.053 0.000 0.865 22 T HN -0.023 nan 8.240 nan 0.000 0.435 23 V N 1.425 121.378 119.914 0.065 0.000 2.307 23 V HA -0.138 3.983 4.120 0.002 0.000 0.245 23 V C 2.706 178.910 176.094 0.184 0.000 1.045 23 V CA 1.749 64.166 62.300 0.195 0.000 1.024 23 V CB -0.779 31.111 31.823 0.112 0.000 0.651 23 V HN 0.425 nan 8.190 nan 0.000 0.449 24 S N -0.403 115.356 115.700 0.099 0.000 2.368 24 S HA -0.248 4.223 4.470 0.002 0.000 0.225 24 S C 2.009 176.680 174.600 0.119 0.000 1.030 24 S CA 1.795 60.043 58.200 0.081 0.000 0.999 24 S CB -0.313 62.903 63.200 0.026 0.000 0.844 24 S HN 0.590 nan 8.310 nan 0.000 0.459 25 K N 1.384 121.893 120.400 0.182 0.000 2.147 25 K HA 0.001 4.322 4.320 0.002 0.000 0.205 25 K C 1.997 178.697 176.600 0.166 0.000 1.049 25 K CA 1.079 57.485 56.287 0.199 0.000 0.936 25 K CB -0.258 32.426 32.500 0.306 0.000 0.722 25 K HN 0.320 nan 8.250 nan 0.000 0.446 26 A N 1.046 123.993 122.820 0.212 0.000 2.067 26 A HA -0.113 4.208 4.320 0.002 0.000 0.217 26 A C 0.741 178.383 177.584 0.096 0.000 1.156 26 A CA 0.862 52.999 52.037 0.166 0.000 0.683 26 A CB -0.529 18.634 19.000 0.272 0.000 0.808 26 A HN 0.705 nan 8.150 nan 0.000 0.455 27 N N -0.712 118.049 118.700 0.101 0.000 2.716 27 N HA -0.184 4.557 4.740 0.002 0.000 0.250 27 N C -0.491 175.042 175.510 0.038 0.000 1.033 27 N CA 0.762 53.847 53.050 0.057 0.000 0.727 27 N CB -0.930 37.580 38.487 0.038 0.000 0.950 27 N HN 0.440 nan 8.380 nan 0.000 0.541 28 S N -0.934 114.804 115.700 0.063 0.000 2.560 28 S HA 0.688 5.159 4.470 0.002 0.000 0.283 28 S C -0.431 174.231 174.600 0.103 0.000 1.141 28 S CA 0.332 58.549 58.200 0.028 0.000 0.902 28 S CB 1.601 64.788 63.200 -0.021 0.000 1.104 28 S HN 0.987 nan 8.310 nan 0.000 0.454 29 G N 2.860 111.692 108.800 0.053 0.000 2.351 29 G HA2 0.267 4.228 3.960 0.002 0.000 0.353 29 G HA3 0.267 4.228 3.960 0.002 0.000 0.353 29 G C -2.213 172.687 174.900 0.000 0.000 1.358 29 G CA -0.928 44.287 45.100 0.191 0.000 0.995 29 G HN 0.853 nan 8.290 nan 0.000 0.611 30 H N 1.349 120.514 119.070 0.158 0.000 2.673 30 H HA 0.505 5.062 4.556 0.002 0.000 0.293 30 H C -1.454 173.941 175.328 0.111 0.000 1.065 30 H CA -1.441 54.694 56.048 0.145 0.000 1.236 30 H CB 2.076 31.978 29.762 0.234 0.000 1.389 30 H HN 0.339 nan 8.280 nan 0.000 0.481 31 P HA 0.011 nan 4.420 nan 0.000 0.234 31 P C 1.550 178.914 177.300 0.107 0.000 1.175 31 P CA 0.591 63.748 63.100 0.096 0.000 0.801 31 P CB 0.573 32.308 31.700 0.058 0.000 0.891 32 G N 1.731 110.614 108.800 0.137 0.000 2.587 32 G HA2 -0.316 3.645 3.960 0.002 0.000 0.217 32 G HA3 -0.316 3.645 3.960 0.002 0.000 0.217 32 G C 1.834 176.810 174.900 0.126 0.000 1.240 32 G CA 1.615 46.797 45.100 0.137 0.000 0.794 32 G HN 0.325 nan 8.290 nan 0.000 0.580 33 A N 1.365 124.271 122.820 0.143 0.000 1.933 33 A HA 0.093 4.414 4.320 0.002 0.000 0.218 33 A C 0.815 178.434 177.584 0.059 0.000 1.175 33 A CA 2.065 54.158 52.037 0.093 0.000 0.628 33 A CB -1.127 17.922 19.000 0.081 0.000 0.814 33 A HN 0.403 nan 8.150 nan 0.000 0.444 34 P HA -0.128 nan 4.420 nan 0.000 0.216 34 P C 1.557 178.872 177.300 0.024 0.000 1.153 34 P CA 0.753 63.868 63.100 0.025 0.000 0.848 34 P CB -0.108 31.593 31.700 0.002 0.000 0.787 35 L N -1.269 119.985 121.223 0.052 0.000 2.042 35 L HA -0.125 4.216 4.340 0.002 0.000 0.210 35 L C 2.485 179.399 176.870 0.074 0.000 1.076 35 L CA 2.048 56.937 54.840 0.082 0.000 0.749 35 L CB -1.402 40.732 42.059 0.126 0.000 0.893 35 L HN 0.111 nan 8.230 nan 0.000 0.432 36 G N -1.057 107.779 108.800 0.059 0.000 2.464 36 G HA2 -0.137 3.824 3.960 0.002 0.000 0.217 36 G HA3 -0.137 3.824 3.960 0.002 0.000 0.217 36 G C 1.446 176.307 174.900 -0.064 0.000 1.138 36 G CA 0.115 45.218 45.100 0.005 0.000 0.793 36 G HN 0.252 nan 8.290 nan 0.000 0.539 37 M N 0.668 120.246 119.600 -0.037 0.000 2.371 37 M HA 0.327 4.808 4.480 0.002 0.000 0.246 37 M C 2.556 178.865 176.300 0.015 0.000 1.103 37 M CA 0.100 55.370 55.300 -0.049 0.000 1.010 37 M CB 0.649 33.227 32.600 -0.037 0.000 1.457 37 M HN 0.249 nan 8.290 nan 0.000 0.486 38 A N 1.974 124.779 122.820 -0.025 0.000 1.873 38 A HA -0.109 4.212 4.320 0.002 0.000 0.218 38 A C -0.418 177.143 177.584 -0.038 0.000 1.193 38 A CA 1.725 53.736 52.037 -0.045 0.000 0.629 38 A CB -1.853 17.093 19.000 -0.089 0.000 0.826 38 A HN 0.268 nan 8.150 nan 0.000 0.447 39 P HA -0.177 nan 4.420 nan 0.000 0.215 39 P C 1.774 179.058 177.300 -0.027 0.000 1.157 39 P CA 2.177 65.217 63.100 -0.100 0.000 0.874 39 P CB -0.139 31.449 31.700 -0.186 0.000 0.790 40 A N -0.384 122.431 122.820 -0.008 0.000 1.930 40 A HA -0.095 4.226 4.320 0.002 0.000 0.217 40 A C 2.292 180.050 177.584 0.291 0.000 1.175 40 A CA 1.981 54.069 52.037 0.085 0.000 0.627 40 A CB -1.573 17.403 19.000 -0.041 0.000 0.815 40 A HN 0.189 nan 8.150 nan 0.000 0.443 41 A N -0.820 122.184 122.820 0.307 0.000 1.902 41 A HA -0.167 4.154 4.320 0.002 0.000 0.217 41 A C 2.042 179.630 177.584 0.007 0.000 1.181 41 A CA 2.137 54.253 52.037 0.132 0.000 0.623 41 A CB -0.864 18.087 19.000 -0.082 0.000 0.818 41 A HN 0.750 nan 8.150 nan 0.000 0.443 42 H N -0.139 118.910 119.070 -0.036 0.000 2.293 42 H HA -0.086 4.470 4.556 0.001 0.000 0.300 42 H C 1.882 177.274 175.328 0.107 0.000 1.082 42 H CA 2.154 58.224 56.048 0.037 0.000 1.308 42 H CB -0.397 29.376 29.762 0.018 0.000 1.375 42 H HN 0.102 nan 8.280 nan 0.000 0.495 43 V N 0.608 120.488 119.914 -0.058 0.000 2.287 43 V HA -0.243 3.878 4.120 0.002 0.000 0.248 43 V C 2.654 178.749 176.094 0.002 0.000 1.053 43 V CA 1.754 64.016 62.300 -0.064 0.000 1.027 43 V CB -0.908 30.873 31.823 -0.069 0.000 0.646 43 V HN 0.383 nan 8.190 nan 0.000 0.447 44 L N -0.586 120.660 121.223 0.039 0.000 1.976 44 L HA -0.125 4.216 4.340 0.002 0.000 0.209 44 L C 2.120 178.937 176.870 -0.088 0.000 1.071 44 L CA 2.114 56.923 54.840 -0.052 0.000 0.746 44 L CB -0.967 41.105 42.059 0.022 0.000 0.890 44 L HN 0.404 nan 8.230 nan 0.000 0.432 45 W N -0.079 121.042 121.300 -0.299 0.000 2.374 45 W HA -0.102 4.559 4.660 0.001 0.000 0.288 45 W C 2.862 179.276 176.519 -0.176 0.000 1.218 45 W CA 1.414 58.589 57.345 -0.283 0.000 1.245 45 W CB -1.294 27.963 29.460 -0.338 0.000 1.126 45 W HN 0.121 nan 8.180 nan 0.000 0.545 46 S N -0.169 115.569 115.700 0.063 0.000 2.442 46 S HA -0.200 4.271 4.470 0.002 0.000 0.236 46 S C 1.481 176.099 174.600 0.029 0.000 1.007 46 S CA 1.721 59.951 58.200 0.051 0.000 0.965 46 S CB -0.309 62.888 63.200 -0.004 0.000 0.773 46 S HN 0.506 nan 8.310 nan 0.000 0.504 47 Q N -0.420 119.375 119.800 -0.008 0.000 2.155 47 Q HA 0.422 4.763 4.340 0.002 0.000 0.220 47 Q C -0.005 175.974 176.000 -0.036 0.000 0.819 47 Q CA -0.017 55.778 55.803 -0.014 0.000 1.032 47 Q CB -0.116 28.617 28.738 -0.009 0.000 1.151 47 Q HN 0.290 nan 8.270 nan 0.000 0.487 48 M N 1.424 120.981 119.600 -0.072 0.000 2.233 48 M HA 0.370 4.851 4.480 0.002 0.000 0.355 48 M C -0.436 175.868 176.300 0.006 0.000 1.191 48 M CA -0.614 54.647 55.300 -0.065 0.000 1.101 48 M CB 1.382 33.833 32.600 -0.248 0.000 1.592 48 M HN 0.188 nan 8.290 nan 0.000 0.461 49 R N 5.751 126.290 120.500 0.066 0.000 2.248 49 R HA 0.467 4.808 4.340 0.002 0.000 0.337 49 R C -0.982 175.384 176.300 0.111 0.000 1.106 49 R CA 0.067 56.235 56.100 0.114 0.000 0.959 49 R CB 0.345 30.730 30.300 0.142 0.000 1.075 49 R HN 0.750 nan 8.270 nan 0.000 0.480 50 M N 1.495 121.190 119.600 0.159 0.000 2.622 50 M HA 0.468 4.949 4.480 0.002 0.000 0.276 50 M C -1.656 174.750 176.300 0.176 0.000 1.265 50 M CA -1.136 54.269 55.300 0.174 0.000 0.850 50 M CB 2.239 34.860 32.600 0.034 0.000 1.720 50 M HN 0.290 nan 8.290 nan 0.000 0.465 51 N N 1.264 120.053 118.700 0.148 0.000 2.617 51 N HA 0.483 5.224 4.740 0.002 0.000 0.263 51 N C -2.616 172.800 175.510 -0.157 0.000 1.074 51 N CA -1.861 51.177 53.050 -0.021 0.000 0.841 51 N CB 1.680 40.123 38.487 -0.073 0.000 1.221 51 N HN 0.348 nan 8.380 nan 0.000 0.529 52 P HA -0.102 nan 4.420 nan 0.000 0.220 52 P C 0.647 177.663 177.300 -0.473 0.000 1.144 52 P CA 1.493 64.085 63.100 -0.847 0.000 0.800 52 P CB 0.256 31.459 31.700 -0.827 0.000 0.772 53 T N -4.149 110.257 114.554 -0.246 0.000 3.023 53 T HA -0.045 4.306 4.350 0.002 0.000 0.266 53 T C 0.845 175.491 174.700 -0.089 0.000 1.093 53 T CA 0.407 62.421 62.100 -0.143 0.000 1.129 53 T CB -0.379 68.422 68.868 -0.112 0.000 0.899 53 T HN 0.163 nan 8.240 nan 0.000 0.491 54 N N 1.332 119.985 118.700 -0.079 0.000 2.690 54 N HA 0.192 4.933 4.740 0.002 0.000 0.255 54 N C -2.934 172.598 175.510 0.036 0.000 1.195 54 N CA -1.471 51.566 53.050 -0.021 0.000 0.790 54 N CB 1.895 40.360 38.487 -0.036 0.000 1.216 54 N HN -0.067 nan 8.380 nan 0.000 0.528 55 P HA 0.099 nan 4.420 nan 0.000 0.247 55 P C -0.052 177.281 177.300 0.054 0.000 1.225 55 P CA 0.646 63.820 63.100 0.122 0.000 0.768 55 P CB 0.309 32.123 31.700 0.191 0.000 1.020 56 D N -2.891 117.528 120.400 0.033 0.000 2.433 56 D HA 0.013 4.654 4.640 0.002 0.000 0.211 56 D C 0.062 176.340 176.300 -0.037 0.000 1.114 56 D CA -0.277 53.710 54.000 -0.021 0.000 0.837 56 D CB -0.049 40.740 40.800 -0.018 0.000 0.984 56 D HN 0.149 nan 8.370 nan 0.000 0.505 57 W N 2.425 123.588 121.300 -0.228 0.000 2.443 57 W HA -0.056 4.605 4.660 0.002 0.000 0.335 57 W C 1.172 177.407 176.519 -0.472 0.000 1.382 57 W CA -0.874 56.252 57.345 -0.365 0.000 1.305 57 W CB 0.192 29.457 29.460 -0.326 0.000 1.283 57 W HN -0.138 nan 8.180 nan 0.000 0.567 58 I N 5.190 125.391 120.570 -0.614 0.000 2.423 58 I HA -0.272 3.899 4.170 0.002 0.000 0.254 58 I C 1.672 177.206 176.117 -0.972 0.000 1.151 58 I CA 1.620 62.476 61.300 -0.741 0.000 1.421 58 I CB -0.541 37.145 38.000 -0.524 0.000 1.079 58 I HN 0.580 nan 8.210 nan 0.000 0.431 59 N N 0.709 118.437 118.700 -1.619 0.000 2.327 59 N HA 0.056 4.797 4.740 0.002 0.000 0.231 59 N C -0.028 174.528 175.510 -1.591 0.000 1.130 59 N CA -0.220 51.990 53.050 -1.400 0.000 0.845 59 N CB -0.134 37.638 38.487 -1.192 0.000 1.073 59 N HN 0.364 nan 8.380 nan 0.000 0.496 60 R N -0.810 118.874 120.500 -1.360 0.000 2.594 60 R HA 0.261 4.602 4.340 0.002 0.000 0.272 60 R C -0.735 175.304 176.300 -0.436 0.000 1.074 60 R CA -0.455 55.157 56.100 -0.813 0.000 1.105 60 R CB 0.469 30.541 30.300 -0.381 0.000 1.008 60 R HN -0.056 nan 8.270 nan 0.000 0.472 61 D N 1.574 121.836 120.400 -0.231 0.000 2.382 61 D HA 0.124 4.765 4.640 0.002 0.000 0.245 61 D C -0.187 176.075 176.300 -0.062 0.000 1.120 61 D CA 0.074 54.032 54.000 -0.069 0.000 0.890 61 D CB 0.864 41.721 40.800 0.096 0.000 1.201 61 D HN 0.355 nan 8.370 nan 0.000 0.433 62 R N 1.338 121.824 120.500 -0.022 0.000 2.532 62 R HA 0.555 4.896 4.340 0.002 0.000 0.295 62 R C -0.734 175.644 176.300 0.131 0.000 0.968 62 R CA -0.827 55.275 56.100 0.004 0.000 0.916 62 R CB 1.583 31.865 30.300 -0.030 0.000 1.124 62 R HN 0.331 nan 8.270 nan 0.000 0.463 63 F N 1.837 121.736 119.950 -0.085 0.000 2.556 63 F HA 0.537 5.066 4.527 0.002 0.000 0.314 63 F C -1.371 174.415 175.800 -0.023 0.000 1.106 63 F CA -0.797 57.161 58.000 -0.069 0.000 0.911 63 F CB 1.695 40.536 39.000 -0.265 0.000 1.190 63 F HN 0.135 nan 8.300 nan 0.000 0.448 64 V N 6.927 126.422 119.914 -0.698 0.000 2.524 64 V HA 0.291 4.412 4.120 0.002 0.000 0.297 64 V C -0.932 174.769 176.094 -0.655 0.000 1.035 64 V CA -0.708 61.314 62.300 -0.464 0.000 0.867 64 V CB 1.674 33.386 31.823 -0.185 0.000 1.004 64 V HN 0.698 nan 8.190 nan 0.000 0.426 65 L N 4.361 125.325 121.223 -0.433 0.000 2.375 65 L HA 0.323 4.664 4.340 0.002 0.000 0.276 65 L C 1.601 178.423 176.870 -0.080 0.000 1.162 65 L CA 0.870 55.572 54.840 -0.229 0.000 0.991 65 L CB 0.906 42.948 42.059 -0.028 0.000 1.315 65 L HN 0.751 nan 8.230 nan 0.000 0.431 66 S N 3.158 118.825 115.700 -0.055 0.000 2.370 66 S HA -0.177 4.294 4.470 0.002 0.000 0.226 66 S C 1.041 175.647 174.600 0.009 0.000 1.033 66 S CA 1.458 59.653 58.200 -0.008 0.000 1.011 66 S CB -0.453 62.755 63.200 0.013 0.000 0.852 66 S HN 0.902 nan 8.310 nan 0.000 0.457 67 N N 0.688 119.387 118.700 -0.002 0.000 3.103 67 N HA 0.179 4.920 4.740 0.002 0.000 0.305 67 N C 1.140 176.528 175.510 -0.203 0.000 1.232 67 N CA 0.238 53.232 53.050 -0.093 0.000 1.190 67 N CB 0.331 38.724 38.487 -0.157 0.000 1.461 67 N HN 0.315 nan 8.380 nan 0.000 0.538 68 G N 1.939 110.727 108.800 -0.021 0.000 2.517 68 G HA2 -0.372 3.589 3.960 0.002 0.000 0.222 68 G HA3 -0.372 3.589 3.960 0.002 0.000 0.222 68 G C 1.351 176.306 174.900 0.093 0.000 1.109 68 G CA 0.841 45.980 45.100 0.066 0.000 0.746 68 G HN 0.840 nan 8.290 nan 0.000 0.576 69 H N -0.204 118.898 119.070 0.052 0.000 2.518 69 H HA 0.258 4.815 4.556 0.002 0.000 0.289 69 H C 1.875 177.108 175.328 -0.158 0.000 1.051 69 H CA 0.827 56.760 56.048 -0.191 0.000 1.280 69 H CB -0.393 29.019 29.762 -0.583 0.000 1.380 69 H HN 0.308 nan 8.280 nan 0.000 0.566 70 A N 2.041 124.671 122.820 -0.317 0.000 2.579 70 A HA 0.336 4.657 4.320 0.002 0.000 0.273 70 A C 2.014 179.521 177.584 -0.128 0.000 1.363 70 A CA 0.021 51.968 52.037 -0.151 0.000 0.953 70 A CB -0.703 18.205 19.000 -0.154 0.000 1.034 70 A HN 0.245 nan 8.150 nan 0.000 0.536 71 V N -0.770 119.042 119.914 -0.169 0.000 2.282 71 V HA -0.348 3.773 4.120 0.002 0.000 0.249 71 V C 2.859 178.649 176.094 -0.508 0.000 1.057 71 V CA 2.138 64.218 62.300 -0.368 0.000 1.032 71 V CB -1.645 29.900 31.823 -0.464 0.000 0.645 71 V HN 0.614 nan 8.190 nan 0.000 0.447 72 A N 0.227 122.803 122.820 -0.407 0.000 2.042 72 A HA -0.244 4.077 4.320 0.002 0.000 0.222 72 A C 2.192 179.645 177.584 -0.218 0.000 1.167 72 A CA 2.432 54.240 52.037 -0.382 0.000 0.649 72 A CB -0.609 18.189 19.000 -0.337 0.000 0.809 72 A HN 0.530 nan 8.150 nan 0.000 0.457 73 L N -1.254 119.863 121.223 -0.177 0.000 2.044 73 L HA -0.007 4.334 4.340 0.002 0.000 0.205 73 L C 2.203 178.954 176.870 -0.198 0.000 1.075 73 L CA 1.839 56.594 54.840 -0.142 0.000 0.747 73 L CB -0.514 41.512 42.059 -0.054 0.000 0.903 73 L HN 0.334 nan 8.230 nan 0.000 0.435 74 L N -1.404 119.714 121.223 -0.175 0.000 2.046 74 L HA -0.215 4.126 4.340 0.002 0.000 0.208 74 L C 2.309 179.139 176.870 -0.066 0.000 1.077 74 L CA 1.840 56.605 54.840 -0.125 0.000 0.747 74 L CB -0.913 41.125 42.059 -0.035 0.000 0.896 74 L HN 0.277 nan 8.230 nan 0.000 0.432 75 Y N -0.442 119.806 120.300 -0.087 0.000 2.200 75 Y HA -0.130 4.421 4.550 0.001 0.000 0.290 75 Y C 2.880 178.744 175.900 -0.060 0.000 1.137 75 Y CA 0.988 59.051 58.100 -0.061 0.000 1.163 75 Y CB -1.296 37.113 38.460 -0.085 0.000 0.988 75 Y HN 0.207 nan 8.280 nan 0.000 0.518 76 S N -0.444 115.285 115.700 0.048 0.000 2.359 76 S HA -0.200 4.271 4.470 0.002 0.000 0.224 76 S C 2.131 176.686 174.600 -0.076 0.000 1.035 76 S CA 1.426 59.631 58.200 0.008 0.000 1.018 76 S CB -0.279 62.882 63.200 -0.066 0.000 0.876 76 S HN 0.270 nan 8.310 nan 0.000 0.448 77 M N 1.139 120.551 119.600 -0.314 0.000 2.080 77 M HA -0.025 4.456 4.480 0.002 0.000 0.260 77 M C 2.096 178.207 176.300 -0.314 0.000 1.068 77 M CA 1.346 56.257 55.300 -0.648 0.000 1.109 77 M CB -1.680 29.939 32.600 -1.634 0.000 1.342 77 M HN 0.285 nan 8.290 nan 0.000 0.405 78 L N -1.322 119.836 121.223 -0.109 0.000 2.042 78 L HA -0.279 4.062 4.340 0.002 0.000 0.210 78 L C 2.644 179.679 176.870 0.276 0.000 1.076 78 L CA 1.702 56.607 54.840 0.108 0.000 0.749 78 L CB -0.872 41.230 42.059 0.071 0.000 0.893 78 L HN 0.363 nan 8.230 nan 0.000 0.432 79 H N 0.044 119.199 119.070 0.142 0.000 2.363 79 H HA -0.092 4.465 4.556 0.002 0.000 0.301 79 H C 2.128 177.600 175.328 0.240 0.000 1.074 79 H CA 1.498 57.657 56.048 0.186 0.000 1.354 79 H CB -0.026 29.832 29.762 0.160 0.000 1.397 79 H HN 0.140 nan 8.280 nan 0.000 0.516 80 L N -0.033 121.222 121.223 0.054 0.000 2.093 80 L HA -0.100 4.241 4.340 0.002 0.000 0.208 80 L C 2.431 179.362 176.870 0.102 0.000 1.085 80 L CA 1.641 56.533 54.840 0.088 0.000 0.755 80 L CB -0.619 41.527 42.059 0.145 0.000 0.904 80 L HN 0.490 nan 8.230 nan 0.000 0.435 81 T N -3.331 111.231 114.554 0.015 0.000 3.148 81 T HA 0.202 4.553 4.350 0.002 0.000 0.253 81 T C 1.352 176.106 174.700 0.091 0.000 1.134 81 T CA 0.496 62.627 62.100 0.052 0.000 1.051 81 T CB 0.276 69.247 68.868 0.171 0.000 0.959 81 T HN 0.504 nan 8.240 nan 0.000 0.525 82 G N -0.091 108.760 108.800 0.085 0.000 2.134 82 G HA2 -0.187 3.774 3.960 0.002 0.000 0.209 82 G HA3 -0.187 3.774 3.960 0.002 0.000 0.209 82 G C -0.181 174.689 174.900 -0.049 0.000 0.993 82 G CA -0.325 44.770 45.100 -0.009 0.000 0.669 82 G HN 0.573 nan 8.290 nan 0.000 0.519 83 Y N 0.270 120.604 120.300 0.056 0.000 2.281 83 Y HA 0.448 5.000 4.550 0.002 0.000 0.337 83 Y C 0.967 176.909 175.900 0.070 0.000 1.304 83 Y CA 0.241 58.385 58.100 0.073 0.000 1.465 83 Y CB 0.608 39.137 38.460 0.115 0.000 1.350 83 Y HN 0.127 nan 8.280 nan 0.000 0.575 84 D N 1.853 122.394 120.400 0.235 0.000 2.453 84 D HA 0.357 4.998 4.640 0.002 0.000 0.223 84 D C -1.730 174.660 176.300 0.151 0.000 1.183 84 D CA 0.130 54.218 54.000 0.146 0.000 0.933 84 D CB -0.402 40.456 40.800 0.097 0.000 1.038 84 D HN 0.338 nan 8.370 nan 0.000 0.513 85 L N 2.820 124.146 121.223 0.172 0.000 2.666 85 L HA 0.408 4.749 4.340 0.002 0.000 0.259 85 L C -0.923 176.072 176.870 0.208 0.000 0.919 85 L CA -0.258 54.661 54.840 0.133 0.000 0.927 85 L CB 1.469 43.602 42.059 0.124 0.000 1.423 85 L HN 0.348 nan 8.230 nan 0.000 0.426 86 S N 3.966 119.705 115.700 0.065 0.000 2.806 86 S HA 0.633 5.104 4.470 0.002 0.000 0.315 86 S C 1.055 175.505 174.600 -0.251 0.000 1.127 86 S CA -0.850 57.342 58.200 -0.014 0.000 0.918 86 S CB 0.972 64.187 63.200 0.024 0.000 1.240 86 S HN 0.508 nan 8.310 nan 0.000 0.552 87 I N 0.886 121.263 120.570 -0.322 0.000 2.315 87 I HA -0.063 4.108 4.170 0.002 0.000 0.248 87 I C 2.463 178.406 176.117 -0.289 0.000 1.117 87 I CA 1.278 62.396 61.300 -0.304 0.000 1.404 87 I CB -1.497 36.389 38.000 -0.190 0.000 1.071 87 I HN 0.703 nan 8.210 nan 0.000 0.419 88 E N 0.998 121.081 120.200 -0.195 0.000 2.110 88 E HA -0.198 4.153 4.350 0.002 0.000 0.193 88 E C 1.707 178.217 176.600 -0.150 0.000 0.988 88 E CA 1.020 57.316 56.400 -0.173 0.000 0.804 88 E CB -0.047 29.592 29.700 -0.102 0.000 0.745 88 E HN 0.465 nan 8.360 nan 0.000 0.458 89 D N 0.595 120.919 120.400 -0.126 0.000 2.097 89 D HA -0.106 4.535 4.640 0.002 0.000 0.197 89 D C 2.203 178.443 176.300 -0.101 0.000 0.984 89 D CA 0.618 54.555 54.000 -0.105 0.000 0.826 89 D CB -0.240 40.494 40.800 -0.110 0.000 0.973 89 D HN 0.173 nan 8.370 nan 0.000 0.460 90 L N 0.466 121.614 121.223 -0.124 0.000 2.131 90 L HA -0.138 4.203 4.340 0.002 0.000 0.210 90 L C 2.167 179.032 176.870 -0.009 0.000 1.092 90 L CA 1.026 55.846 54.840 -0.032 0.000 0.759 90 L CB -0.294 41.783 42.059 0.031 0.000 0.903 90 L HN -0.038 nan 8.230 nan 0.000 0.435 91 K N -0.061 120.191 120.400 -0.246 0.000 2.504 91 K HA -0.108 4.213 4.320 0.002 0.000 0.195 91 K C 0.868 177.429 176.600 -0.065 0.000 1.036 91 K CA 0.646 56.751 56.287 -0.303 0.000 0.984 91 K CB 0.122 32.337 32.500 -0.475 0.000 0.788 91 K HN 0.376 nan 8.250 nan 0.000 0.488 92 Q N -0.264 119.535 119.800 -0.001 0.000 2.141 92 Q HA 0.129 4.470 4.340 0.002 0.000 0.248 92 Q C -0.831 175.229 176.000 0.101 0.000 0.834 92 Q CA -0.490 55.331 55.803 0.030 0.000 1.096 92 Q CB 0.399 29.131 28.738 -0.010 0.000 1.189 92 Q HN 0.101 nan 8.270 nan 0.000 0.471 93 F N 1.706 121.665 119.950 0.016 0.000 2.607 93 F HA 0.004 4.532 4.527 0.002 0.000 0.374 93 F C 0.963 176.808 175.800 0.075 0.000 1.104 93 F CA 0.640 58.683 58.000 0.073 0.000 1.296 93 F CB 0.303 39.391 39.000 0.146 0.000 1.085 93 F HN 0.221 nan 8.300 nan 0.000 0.584 94 R N 0.887 121.074 120.500 -0.522 0.000 4.000 94 R HA -0.206 4.135 4.340 0.002 0.000 0.362 94 R C -0.601 175.593 176.300 -0.176 0.000 1.183 94 R CA 0.943 56.764 56.100 -0.466 0.000 1.011 94 R CB -1.343 28.571 30.300 -0.643 0.000 1.501 94 R HN 0.630 nan 8.270 nan 0.000 0.553 95 Q N 0.664 120.412 119.800 -0.087 0.000 2.274 95 Q HA 0.280 4.621 4.340 0.002 0.000 0.260 95 Q C -0.119 175.866 176.000 -0.025 0.000 0.974 95 Q CA -1.089 54.690 55.803 -0.041 0.000 0.876 95 Q CB 1.289 30.016 28.738 -0.017 0.000 1.297 95 Q HN 0.098 nan 8.270 nan 0.000 0.446 96 L N 1.785 122.998 121.223 -0.018 0.000 2.628 96 L HA 0.103 4.444 4.340 0.002 0.000 0.274 96 L C 1.157 178.026 176.870 -0.003 0.000 1.209 96 L CA 2.221 57.057 54.840 -0.008 0.000 0.930 96 L CB -0.320 41.736 42.059 -0.005 0.000 1.183 96 L HN 0.960 nan 8.230 nan 0.000 0.492 97 G N 2.184 110.985 108.800 0.002 0.000 2.179 97 G HA2 -0.293 3.668 3.960 0.002 0.000 0.260 97 G HA3 -0.293 3.668 3.960 0.002 0.000 0.260 97 G C 0.376 175.276 174.900 0.001 0.000 0.977 97 G CA 0.462 45.564 45.100 0.004 0.000 0.641 97 G HN 1.133 nan 8.290 nan 0.000 0.533 98 S N -0.904 114.797 115.700 0.000 0.000 2.645 98 S HA 0.617 5.088 4.470 0.002 0.000 0.266 98 S C 1.129 175.728 174.600 -0.001 0.000 1.258 98 S CA -0.053 58.144 58.200 -0.004 0.000 0.990 98 S CB 1.452 64.650 63.200 -0.003 0.000 0.967 98 S HN 0.305 nan 8.310 nan 0.000 0.556 99 R N 0.048 120.535 120.500 -0.022 0.000 2.317 99 R HA 0.093 4.434 4.340 0.002 0.000 0.208 99 R C 0.118 176.371 176.300 -0.079 0.000 0.914 99 R CA 0.644 56.724 56.100 -0.033 0.000 1.060 99 R CB -0.105 30.166 30.300 -0.048 0.000 1.015 99 R HN 0.874 nan 8.270 nan 0.000 0.498 100 T N 0.038 114.554 114.554 -0.064 0.000 3.390 100 T HA 0.307 4.658 4.350 0.002 0.000 0.315 100 T C -2.502 172.362 174.700 0.273 0.000 1.799 100 T CA -1.960 60.094 62.100 -0.076 0.000 1.553 100 T CB 1.214 69.990 68.868 -0.154 0.000 1.002 100 T HN -0.082 nan 8.240 nan 0.000 0.715 101 P HA 0.187 nan 4.420 nan 0.000 0.272 101 P C 1.364 178.775 177.300 0.186 0.000 1.230 101 P CA -0.138 63.064 63.100 0.170 0.000 0.788 101 P CB 0.640 32.441 31.700 0.169 0.000 0.949 102 G N 0.377 109.138 108.800 -0.066 0.000 2.537 102 G HA2 -0.161 3.800 3.960 0.002 0.000 0.220 102 G HA3 -0.161 3.800 3.960 0.002 0.000 0.220 102 G C 0.043 174.764 174.900 -0.297 0.000 1.111 102 G CA 0.910 45.881 45.100 -0.214 0.000 0.748 102 G HN 0.652 nan 8.290 nan 0.000 0.564 103 H N -0.856 118.306 119.070 0.153 0.000 2.947 103 H HA 0.322 4.879 4.556 0.002 0.000 0.354 103 H C -2.487 172.923 175.328 0.137 0.000 1.085 103 H CA -1.564 54.553 56.048 0.114 0.000 1.253 103 H CB 2.473 32.285 29.762 0.082 0.000 1.757 103 H HN -0.115 nan 8.280 nan 0.000 0.523 104 P HA -0.109 nan 4.420 nan 0.000 0.259 104 P C -0.632 176.799 177.300 0.219 0.000 1.163 104 P CA 0.586 63.801 63.100 0.192 0.000 0.760 104 P CB 1.022 32.792 31.700 0.117 0.000 0.762 105 E N 1.856 122.198 120.200 0.236 0.000 2.171 105 E HA 0.136 4.487 4.350 0.002 0.000 0.271 105 E C 0.467 177.214 176.600 0.245 0.000 0.916 105 E CA -0.726 55.804 56.400 0.218 0.000 0.774 105 E CB 0.820 30.628 29.700 0.181 0.000 1.128 105 E HN 0.309 nan 8.360 nan 0.000 0.403 106 F N 3.241 123.238 119.950 0.079 0.000 2.184 106 F HA -0.220 4.308 4.527 0.002 0.000 0.301 106 F C 1.336 177.178 175.800 0.070 0.000 1.076 106 F CA 1.919 59.965 58.000 0.077 0.000 1.295 106 F CB 0.170 39.189 39.000 0.032 0.000 1.026 106 F HN 0.551 nan 8.300 nan 0.000 0.494 107 E N 0.028 120.234 120.200 0.011 0.000 2.418 107 E HA -0.041 4.310 4.350 0.002 0.000 0.197 107 E C 0.385 176.939 176.600 -0.077 0.000 1.026 107 E CA 0.247 56.580 56.400 -0.111 0.000 0.862 107 E CB -0.228 29.459 29.700 -0.023 0.000 0.799 107 E HN 0.267 nan 8.360 nan 0.000 0.518 108 L N 1.288 122.510 121.223 -0.001 0.000 2.350 108 L HA 0.335 4.676 4.340 0.002 0.000 0.275 108 L C -2.551 174.328 176.870 0.015 0.000 1.099 108 L CA -2.564 52.293 54.840 0.030 0.000 0.808 108 L CB 0.724 42.842 42.059 0.097 0.000 1.149 108 L HN -0.242 nan 8.230 nan 0.000 0.442 109 P HA 0.349 nan 4.420 nan 0.000 0.271 109 P C 0.340 177.684 177.300 0.074 0.000 1.216 109 P CA 0.678 63.817 63.100 0.066 0.000 0.771 109 P CB 1.065 32.835 31.700 0.117 0.000 0.864 110 G N 1.412 110.242 108.800 0.049 0.000 2.258 110 G HA2 -0.213 3.748 3.960 0.002 0.000 0.233 110 G HA3 -0.213 3.748 3.960 0.002 0.000 0.233 110 G C -0.007 174.875 174.900 -0.031 0.000 1.006 110 G CA -0.199 44.812 45.100 -0.149 0.000 0.620 110 G HN 0.512 nan 8.290 nan 0.000 0.511 111 V N 2.710 122.660 119.914 0.060 0.000 2.339 111 V HA 0.327 4.448 4.120 0.002 0.000 0.261 111 V C 1.458 177.657 176.094 0.175 0.000 1.058 111 V CA -0.143 62.240 62.300 0.138 0.000 0.897 111 V CB 1.372 33.300 31.823 0.175 0.000 1.052 111 V HN 0.317 nan 8.190 nan 0.000 0.480 112 E N 3.442 123.747 120.200 0.176 0.000 2.077 112 E HA -0.093 4.258 4.350 0.002 0.000 0.193 112 E C 0.548 177.368 176.600 0.368 0.000 0.989 112 E CA 1.180 57.710 56.400 0.216 0.000 0.800 112 E CB 0.124 29.895 29.700 0.120 0.000 0.746 112 E HN 0.713 nan 8.360 nan 0.000 0.452 113 V N -3.757 116.337 119.914 0.301 0.000 3.242 113 V HA 0.375 4.496 4.120 0.002 0.000 0.298 113 V C -0.268 175.958 176.094 0.220 0.000 1.352 113 V CA -1.159 61.306 62.300 0.274 0.000 1.052 113 V CB 1.724 33.610 31.823 0.106 0.000 1.101 113 V HN -0.189 nan 8.190 nan 0.000 0.446 114 T N 3.028 117.691 114.554 0.182 0.000 2.851 114 T HA 0.629 4.980 4.350 0.002 0.000 0.298 114 T C 0.206 174.968 174.700 0.104 0.000 0.977 114 T CA 0.645 62.834 62.100 0.150 0.000 1.126 114 T CB 0.525 69.463 68.868 0.116 0.000 0.916 114 T HN 1.339 nan 8.240 nan 0.000 0.529 115 T N -0.222 114.394 114.554 0.104 0.000 2.883 115 T HA 0.812 5.163 4.350 0.002 0.000 0.296 115 T C 0.592 175.329 174.700 0.062 0.000 1.117 115 T CA -0.118 62.024 62.100 0.069 0.000 1.006 115 T CB 2.228 71.129 68.868 0.056 0.000 1.191 115 T HN 0.655 nan 8.240 nan 0.000 0.508 116 G N 0.648 109.443 108.800 -0.010 0.000 4.366 116 G HA2 0.189 4.150 3.960 0.002 0.000 0.194 116 G HA3 0.189 4.150 3.960 0.002 0.000 0.194 116 G C -2.687 172.127 174.900 -0.144 0.000 1.275 116 G CA -0.466 44.514 45.100 -0.202 0.000 0.847 116 G HN 0.811 nan 8.290 nan 0.000 0.299 117 P HA 0.494 nan 4.420 nan 0.000 0.271 117 P C 0.089 177.381 177.300 -0.014 0.000 1.216 117 P CA -0.112 62.960 63.100 -0.047 0.000 0.771 117 P CB 0.910 32.601 31.700 -0.014 0.000 0.864 118 L N 2.194 123.411 121.223 -0.010 0.000 2.426 118 L HA 0.323 4.664 4.340 0.002 0.000 0.271 118 L C 1.697 178.548 176.870 -0.032 0.000 1.169 118 L CA 0.592 55.428 54.840 -0.006 0.000 0.836 118 L CB -0.160 41.894 42.059 -0.008 0.000 1.112 118 L HN 0.797 nan 8.230 nan 0.000 0.465 119 G N 0.942 109.721 108.800 -0.036 0.000 2.234 119 G HA2 -0.250 3.711 3.960 0.002 0.000 0.235 119 G HA3 -0.250 3.711 3.960 0.002 0.000 0.235 119 G C 0.945 175.797 174.900 -0.079 0.000 0.997 119 G CA 0.063 45.121 45.100 -0.070 0.000 0.623 119 G HN 0.571 nan 8.290 nan 0.000 0.514 120 Q N 0.549 120.317 119.800 -0.053 0.000 1.994 120 Q HA 0.030 4.371 4.340 0.002 0.000 0.198 120 Q C 2.800 178.788 176.000 -0.020 0.000 0.976 120 Q CA 2.036 57.818 55.803 -0.036 0.000 0.828 120 Q CB -1.082 27.659 28.738 0.006 0.000 0.894 120 Q HN 0.678 nan 8.270 nan 0.000 0.432 121 G N 1.769 110.564 108.800 -0.008 0.000 2.529 121 G HA2 -0.300 3.661 3.960 0.002 0.000 0.219 121 G HA3 -0.300 3.661 3.960 0.002 0.000 0.219 121 G C 1.518 176.413 174.900 -0.008 0.000 1.177 121 G CA 1.125 46.219 45.100 -0.010 0.000 0.773 121 G HN 0.363 nan 8.290 nan 0.000 0.573 122 I N 0.912 121.487 120.570 0.008 0.000 2.361 122 I HA -0.099 4.072 4.170 0.002 0.000 0.251 122 I C 2.704 178.847 176.117 0.043 0.000 1.133 122 I CA 1.821 63.148 61.300 0.045 0.000 1.413 122 I CB -0.156 37.883 38.000 0.065 0.000 1.073 122 I HN 0.100 nan 8.210 nan 0.000 0.424 123 S N 0.473 116.175 115.700 0.003 0.000 2.387 123 S HA -0.101 4.370 4.470 0.002 0.000 0.226 123 S C 1.705 176.288 174.600 -0.028 0.000 1.026 123 S CA 1.534 59.726 58.200 -0.014 0.000 0.972 123 S CB -0.689 62.478 63.200 -0.054 0.000 0.814 123 S HN 0.608 nan 8.310 nan 0.000 0.477 124 N N 1.978 120.657 118.700 -0.035 0.000 2.106 124 N HA -0.021 4.720 4.740 0.002 0.000 0.188 124 N C 1.956 177.431 175.510 -0.058 0.000 1.029 124 N CA 1.001 54.016 53.050 -0.058 0.000 0.848 124 N CB -0.317 38.139 38.487 -0.052 0.000 1.007 124 N HN 0.383 nan 8.380 nan 0.000 0.423 125 A N 0.738 123.538 122.820 -0.033 0.000 2.032 125 A HA -0.147 4.174 4.320 0.002 0.000 0.221 125 A C 2.293 179.845 177.584 -0.053 0.000 1.165 125 A CA 1.280 53.298 52.037 -0.032 0.000 0.645 125 A CB -0.764 18.233 19.000 -0.006 0.000 0.807 125 A HN 0.138 nan 8.150 nan 0.000 0.453 126 V N -0.488 119.400 119.914 -0.044 0.000 2.323 126 V HA -0.125 3.996 4.120 0.002 0.000 0.244 126 V C 2.823 178.829 176.094 -0.147 0.000 1.041 126 V CA 1.829 64.087 62.300 -0.071 0.000 1.025 126 V CB -1.375 30.438 31.823 -0.017 0.000 0.656 126 V HN 0.599 nan 8.190 nan 0.000 0.451 127 G N -0.460 108.253 108.800 -0.146 0.000 2.446 127 G HA2 -0.284 3.677 3.960 0.002 0.000 0.217 127 G HA3 -0.284 3.677 3.960 0.002 0.000 0.217 127 G C 1.634 176.371 174.900 -0.273 0.000 1.168 127 G CA 1.149 46.117 45.100 -0.220 0.000 0.771 127 G HN 0.422 nan 8.290 nan 0.000 0.551 128 M N 0.789 120.288 119.600 -0.168 0.000 2.149 128 M HA -0.017 4.464 4.480 0.002 0.000 0.261 128 M C 2.937 179.119 176.300 -0.196 0.000 1.064 128 M CA 1.405 56.651 55.300 -0.091 0.000 1.102 128 M CB -0.145 32.472 32.600 0.029 0.000 1.369 128 M HN 0.323 nan 8.290 nan 0.000 0.408 129 A N -0.194 122.496 122.820 -0.216 0.000 2.016 129 A HA -0.046 4.275 4.320 0.002 0.000 0.217 129 A C 2.064 179.437 177.584 -0.351 0.000 1.162 129 A CA 1.023 52.905 52.037 -0.258 0.000 0.662 129 A CB -0.432 18.437 19.000 -0.218 0.000 0.812 129 A HN 0.437 nan 8.150 nan 0.000 0.450 130 M N -0.584 118.767 119.600 -0.415 0.000 2.098 130 M HA -0.050 4.431 4.480 0.002 0.000 0.262 130 M C 2.574 178.484 176.300 -0.650 0.000 1.072 130 M CA 1.360 56.326 55.300 -0.557 0.000 1.133 130 M CB -0.426 31.686 32.600 -0.814 0.000 1.344 130 M HN 0.410 nan 8.290 nan 0.000 0.414 131 A N -0.041 122.297 122.820 -0.803 0.000 1.940 131 A HA -0.232 4.089 4.320 0.002 0.000 0.219 131 A C 2.172 179.138 177.584 -1.030 0.000 1.176 131 A CA 1.766 53.123 52.037 -1.133 0.000 0.631 131 A CB -0.837 17.279 19.000 -1.474 0.000 0.814 131 A HN 0.536 nan 8.150 nan 0.000 0.446 132 Q N -0.144 119.118 119.800 -0.896 0.000 2.079 132 Q HA -0.126 4.215 4.340 0.002 0.000 0.200 132 Q C 2.243 178.051 176.000 -0.321 0.000 0.974 132 Q CA 1.850 57.333 55.803 -0.535 0.000 0.840 132 Q CB -0.492 28.096 28.738 -0.250 0.000 0.898 132 Q HN 0.560 nan 8.270 nan 0.000 0.430 133 A N 1.644 124.259 122.820 -0.341 0.000 1.908 133 A HA -0.219 4.102 4.320 0.002 0.000 0.218 133 A C 2.037 179.549 177.584 -0.119 0.000 1.181 133 A CA 1.654 53.495 52.037 -0.327 0.000 0.627 133 A CB -0.913 17.733 19.000 -0.591 0.000 0.818 133 A HN 0.607 nan 8.150 nan 0.000 0.445 134 N N -0.294 118.382 118.700 -0.039 0.000 2.039 134 N HA -0.162 4.579 4.740 0.002 0.000 0.193 134 N C 1.868 177.404 175.510 0.043 0.000 1.044 134 N CA 1.767 54.861 53.050 0.074 0.000 0.847 134 N CB -0.260 38.242 38.487 0.025 0.000 1.030 134 N HN 0.339 nan 8.380 nan 0.000 0.422 135 L N 1.562 122.827 121.223 0.071 0.000 2.013 135 L HA -0.197 4.144 4.340 0.002 0.000 0.212 135 L C 2.506 179.458 176.870 0.135 0.000 1.073 135 L CA 2.134 57.090 54.840 0.193 0.000 0.753 135 L CB -0.690 41.533 42.059 0.272 0.000 0.890 135 L HN 0.260 nan 8.230 nan 0.000 0.432 136 A N -0.748 122.105 122.820 0.055 0.000 1.865 136 A HA -0.197 4.124 4.320 0.002 0.000 0.217 136 A C 2.409 180.003 177.584 0.017 0.000 1.191 136 A CA 2.046 54.105 52.037 0.037 0.000 0.623 136 A CB -1.263 17.725 19.000 -0.019 0.000 0.826 136 A HN 0.562 nan 8.150 nan 0.000 0.444 137 A N -1.418 121.402 122.820 0.001 0.000 2.015 137 A HA -0.008 4.313 4.320 0.002 0.000 0.219 137 A C 2.186 179.731 177.584 -0.064 0.000 1.163 137 A CA 2.128 54.163 52.037 -0.004 0.000 0.646 137 A CB -0.853 18.170 19.000 0.038 0.000 0.806 137 A HN 0.462 nan 8.150 nan 0.000 0.448 138 T N -2.123 112.341 114.554 -0.149 0.000 3.009 138 T HA 0.056 4.407 4.350 0.002 0.000 0.258 138 T C 1.196 175.599 174.700 -0.494 0.000 1.063 138 T CA 1.280 63.148 62.100 -0.386 0.000 1.139 138 T CB -0.220 68.260 68.868 -0.647 0.000 0.890 138 T HN 0.592 nan 8.240 nan 0.000 0.471 139 Y N 0.173 120.485 120.300 0.021 0.000 2.430 139 Y HA 0.418 4.969 4.550 0.002 0.000 0.254 139 Y C 0.662 176.511 175.900 -0.084 0.000 1.088 139 Y CA -1.321 56.776 58.100 -0.005 0.000 1.267 139 Y CB -0.195 38.247 38.460 -0.029 0.000 1.204 139 Y HN -0.005 nan 8.280 nan 0.000 0.515 140 N N 2.108 120.846 118.700 0.063 0.000 2.458 140 N HA 0.164 4.905 4.740 0.002 0.000 0.258 140 N C -0.353 175.175 175.510 0.030 0.000 1.219 140 N CA 0.334 53.408 53.050 0.039 0.000 0.902 140 N CB 0.614 39.132 38.487 0.050 0.000 1.076 140 N HN 0.028 nan 8.380 nan 0.000 0.455 141 K N 1.487 121.932 120.400 0.076 0.000 2.443 141 K HA 0.514 4.835 4.320 0.002 0.000 0.251 141 K C -2.640 174.089 176.600 0.215 0.000 0.972 141 K CA -2.006 54.318 56.287 0.060 0.000 0.833 141 K CB 1.599 33.975 32.500 -0.207 0.000 1.317 141 K HN 0.279 nan 8.250 nan 0.000 0.441 142 P HA 0.108 nan 4.420 nan 0.000 0.265 142 P C 0.171 177.641 177.300 0.284 0.000 1.222 142 P CA 0.559 63.776 63.100 0.194 0.000 0.767 142 P CB 0.524 32.315 31.700 0.151 0.000 0.801 143 G N 2.605 111.509 108.800 0.174 0.000 2.231 143 G HA2 -0.193 3.768 3.960 0.002 0.000 0.206 143 G HA3 -0.193 3.768 3.960 0.002 0.000 0.206 143 G C -0.258 174.461 174.900 -0.302 0.000 0.996 143 G CA -0.567 44.527 45.100 -0.010 0.000 0.645 143 G HN 0.419 nan 8.290 nan 0.000 0.498 144 F N 2.099 122.129 119.950 0.132 0.000 2.809 144 F HA 0.475 5.004 4.527 0.002 0.000 0.369 144 F C 0.235 176.057 175.800 0.037 0.000 1.225 144 F CA -0.621 57.443 58.000 0.106 0.000 1.201 144 F CB 1.638 40.763 39.000 0.208 0.000 1.527 144 F HN -0.088 nan 8.300 nan 0.000 0.565 145 T N 3.961 118.603 114.554 0.147 0.000 2.992 145 T HA 0.240 4.591 4.350 0.002 0.000 0.299 145 T C 1.542 176.336 174.700 0.157 0.000 1.027 145 T CA 0.086 62.259 62.100 0.122 0.000 1.001 145 T CB 0.161 69.085 68.868 0.092 0.000 1.005 145 T HN 0.476 nan 8.240 nan 0.000 0.599 146 L N 1.609 122.916 121.223 0.140 0.000 2.209 146 L HA 0.154 4.495 4.340 0.002 0.000 0.207 146 L C 1.471 178.560 176.870 0.366 0.000 1.094 146 L CA 0.555 55.540 54.840 0.241 0.000 0.790 146 L CB 0.187 42.268 42.059 0.036 0.000 0.932 146 L HN 0.417 nan 8.230 nan 0.000 0.447 147 S N -0.250 115.557 115.700 0.178 0.000 2.532 147 S HA 0.404 4.875 4.470 0.002 0.000 0.299 147 S C -0.772 173.837 174.600 0.014 0.000 1.105 147 S CA -0.610 57.649 58.200 0.097 0.000 1.018 147 S CB 1.060 64.325 63.200 0.108 0.000 1.021 147 S HN 0.410 nan 8.310 nan 0.000 0.483 148 D N 2.310 122.673 120.400 -0.061 0.000 2.811 148 D HA -0.033 4.608 4.640 0.002 0.000 0.370 148 D C -0.165 175.971 176.300 -0.273 0.000 1.412 148 D CA -0.408 53.505 54.000 -0.145 0.000 0.964 148 D CB -1.287 39.472 40.800 -0.069 0.000 1.637 148 D HN 0.565 nan 8.370 nan 0.000 0.377 149 N N 0.526 119.079 118.700 -0.246 0.000 2.371 149 N HA 0.018 4.759 4.740 0.002 0.000 0.243 149 N C -0.786 174.477 175.510 -0.411 0.000 1.287 149 N CA 0.341 53.233 53.050 -0.263 0.000 0.911 149 N CB 0.796 39.133 38.487 -0.249 0.000 1.142 149 N HN -0.007 nan 8.380 nan 0.000 0.451 150 Y N -1.119 119.058 120.300 -0.205 0.000 2.496 150 Y HA 0.299 4.850 4.550 0.002 0.000 0.331 150 Y C 0.318 175.978 175.900 -0.399 0.000 1.140 150 Y CA -0.525 57.359 58.100 -0.360 0.000 1.166 150 Y CB 2.026 40.135 38.460 -0.584 0.000 1.249 150 Y HN 0.406 nan 8.280 nan 0.000 0.479 151 T N 2.673 117.066 114.554 -0.269 0.000 2.912 151 T HA 0.342 4.693 4.350 0.002 0.000 0.326 151 T C -1.294 173.286 174.700 -0.200 0.000 1.080 151 T CA -0.611 61.380 62.100 -0.182 0.000 1.000 151 T CB -0.552 68.249 68.868 -0.112 0.000 1.008 151 T HN 0.238 nan 8.240 nan 0.000 0.473 152 Y N 1.758 122.118 120.300 0.099 0.000 2.310 152 Y HA 0.586 5.137 4.550 0.002 0.000 0.326 152 Y C 0.360 176.274 175.900 0.024 0.000 1.151 152 Y CA -0.925 57.259 58.100 0.140 0.000 1.195 152 Y CB 0.983 39.589 38.460 0.243 0.000 1.210 152 Y HN 0.289 nan 8.280 nan 0.000 0.483 153 V N 3.347 123.406 119.914 0.241 0.000 2.789 153 V HA 0.419 4.540 4.120 0.002 0.000 0.311 153 V C -1.133 175.153 176.094 0.320 0.000 1.073 153 V CA -1.130 61.212 62.300 0.070 0.000 0.921 153 V CB 2.079 33.965 31.823 0.106 0.000 1.009 153 V HN 0.389 nan 8.190 nan 0.000 0.426 154 F N 5.104 124.976 119.950 -0.129 0.000 2.426 154 F HA 0.831 5.359 4.527 0.001 0.000 0.348 154 F C -0.058 175.742 175.800 0.001 0.000 1.124 154 F CA -1.170 56.835 58.000 0.009 0.000 1.008 154 F CB 1.627 40.659 39.000 0.053 0.000 1.139 154 F HN 0.521 nan 8.300 nan 0.000 0.452 155 L N 1.211 122.540 121.223 0.177 0.000 2.322 155 L HA 1.153 5.494 4.340 0.002 0.000 0.252 155 L C -0.361 176.619 176.870 0.184 0.000 1.055 155 L CA -0.901 54.017 54.840 0.131 0.000 0.849 155 L CB 2.102 44.210 42.059 0.082 0.000 1.446 155 L HN 0.565 nan 8.230 nan 0.000 0.416 156 G N -0.948 107.964 108.800 0.187 0.000 3.105 156 G HA2 0.310 4.271 3.960 0.002 0.000 0.277 156 G HA3 0.310 4.271 3.960 0.002 0.000 0.277 156 G C -0.428 174.628 174.900 0.260 0.000 1.375 156 G CA -0.097 45.177 45.100 0.290 0.000 0.962 156 G HN 0.713 nan 8.290 nan 0.000 0.541 157 D N -0.033 120.569 120.400 0.336 0.000 2.149 157 D HA -0.136 4.505 4.640 0.002 0.000 0.198 157 D C 2.433 178.684 176.300 -0.082 0.000 0.990 157 D CA 1.664 55.799 54.000 0.225 0.000 0.839 157 D CB -0.274 40.721 40.800 0.326 0.000 0.948 157 D HN 0.440 nan 8.370 nan 0.000 0.460 158 G N 1.108 109.901 108.800 -0.012 0.000 2.491 158 G HA2 -0.311 3.650 3.960 0.002 0.000 0.218 158 G HA3 -0.311 3.650 3.960 0.002 0.000 0.218 158 G C 1.927 176.773 174.900 -0.090 0.000 1.180 158 G CA 1.158 46.219 45.100 -0.066 0.000 0.774 158 G HN 0.333 nan 8.290 nan 0.000 0.562 159 C N 0.385 119.665 119.300 -0.034 0.000 2.419 159 C HA 0.124 4.585 4.460 0.002 0.000 0.281 159 C C 2.834 177.774 174.990 -0.083 0.000 1.336 159 C CA 0.310 59.301 59.018 -0.045 0.000 1.770 159 C CB -1.092 26.643 27.740 -0.009 0.000 1.929 159 C HN 0.403 nan 8.230 nan 0.000 0.509 160 L N 0.091 121.237 121.223 -0.128 0.000 2.240 160 L HA -0.119 4.222 4.340 0.002 0.000 0.211 160 L C 2.659 179.415 176.870 -0.190 0.000 1.106 160 L CA 1.217 55.983 54.840 -0.123 0.000 0.793 160 L CB -0.635 41.346 42.059 -0.132 0.000 0.927 160 L HN 0.459 nan 8.230 nan 0.000 0.446 161 Q N -0.427 119.155 119.800 -0.362 0.000 2.269 161 Q HA -0.012 4.329 4.340 0.002 0.000 0.201 161 Q C 0.183 176.075 176.000 -0.180 0.000 0.946 161 Q CA 0.336 55.903 55.803 -0.392 0.000 0.877 161 Q CB 0.359 28.771 28.738 -0.544 0.000 0.963 161 Q HN 0.343 nan 8.270 nan 0.000 0.472 162 E N 0.446 120.566 120.200 -0.133 0.000 2.257 162 E HA 0.025 4.376 4.350 0.002 0.000 0.278 162 E C 0.830 177.389 176.600 -0.070 0.000 1.049 162 E CA 0.024 56.372 56.400 -0.088 0.000 0.876 162 E CB 1.218 30.868 29.700 -0.083 0.000 1.035 162 E HN 0.315 nan 8.360 nan 0.000 0.419 163 G N 4.115 112.886 108.800 -0.047 0.000 2.485 163 G HA2 -0.280 3.681 3.960 0.002 0.000 0.221 163 G HA3 -0.280 3.681 3.960 0.002 0.000 0.221 163 G C 1.376 176.244 174.900 -0.052 0.000 1.115 163 G CA 0.331 45.413 45.100 -0.030 0.000 0.751 163 G HN 0.642 nan 8.290 nan 0.000 0.567 164 I N 1.454 121.959 120.570 -0.108 0.000 2.335 164 I HA -0.221 3.950 4.170 0.002 0.000 0.251 164 I C 2.866 178.908 176.117 -0.125 0.000 1.129 164 I CA 1.936 63.126 61.300 -0.183 0.000 1.402 164 I CB -0.068 37.638 38.000 -0.491 0.000 1.069 164 I HN 0.326 nan 8.210 nan 0.000 0.424 165 S N -0.545 115.099 115.700 -0.094 0.000 2.436 165 S HA -0.073 4.398 4.470 0.002 0.000 0.228 165 S C 1.941 176.497 174.600 -0.074 0.000 1.014 165 S CA 1.023 59.190 58.200 -0.055 0.000 0.950 165 S CB -0.286 62.901 63.200 -0.022 0.000 0.784 165 S HN 0.458 nan 8.310 nan 0.000 0.504 166 S N 2.034 117.697 115.700 -0.062 0.000 2.383 166 S HA -0.042 4.429 4.470 0.002 0.000 0.227 166 S C 1.856 176.334 174.600 -0.203 0.000 1.026 166 S CA 1.134 59.290 58.200 -0.074 0.000 0.981 166 S CB -0.322 62.894 63.200 0.027 0.000 0.818 166 S HN 0.639 nan 8.310 nan 0.000 0.472 167 E N 1.425 121.553 120.200 -0.121 0.000 2.017 167 E HA -0.125 4.226 4.350 0.002 0.000 0.193 167 E C 2.445 178.968 176.600 -0.128 0.000 0.997 167 E CA 1.115 57.449 56.400 -0.111 0.000 0.804 167 E CB -0.295 29.376 29.700 -0.048 0.000 0.757 167 E HN 0.488 nan 8.360 nan 0.000 0.448 168 A N 0.947 123.713 122.820 -0.090 0.000 1.902 168 A HA -0.185 4.136 4.320 0.002 0.000 0.217 168 A C 2.333 179.906 177.584 -0.019 0.000 1.181 168 A CA 1.817 53.832 52.037 -0.037 0.000 0.623 168 A CB -0.496 18.500 19.000 -0.006 0.000 0.818 168 A HN 0.139 nan 8.150 nan 0.000 0.443 169 S N -0.503 115.138 115.700 -0.099 0.000 2.423 169 S HA -0.100 4.371 4.470 0.002 0.000 0.231 169 S C 2.172 176.548 174.600 -0.372 0.000 1.014 169 S CA 1.227 59.379 58.200 -0.081 0.000 0.965 169 S CB -0.248 62.626 63.200 -0.543 0.000 0.785 169 S HN 0.657 nan 8.310 nan 0.000 0.495 170 S N 0.854 116.144 115.700 -0.684 0.000 2.406 170 S HA 0.060 4.531 4.470 0.002 0.000 0.228 170 S C 1.676 176.174 174.600 -0.169 0.000 1.020 170 S CA 0.445 58.259 58.200 -0.644 0.000 0.965 170 S CB -0.197 62.696 63.200 -0.510 0.000 0.798 170 S HN 0.340 nan 8.310 nan 0.000 0.488 171 L N 1.534 122.709 121.223 -0.079 0.000 2.162 171 L HA 0.388 4.729 4.340 0.002 0.000 0.205 171 L C 2.443 179.356 176.870 0.071 0.000 1.086 171 L CA 1.554 56.407 54.840 0.021 0.000 0.778 171 L CB -1.186 40.883 42.059 0.017 0.000 0.928 171 L HN 0.294 nan 8.230 nan 0.000 0.446 172 A N -0.558 122.312 122.820 0.084 0.000 1.902 172 A HA -0.096 4.225 4.320 0.002 0.000 0.217 172 A C 2.309 179.876 177.584 -0.029 0.000 1.181 172 A CA 1.619 53.679 52.037 0.039 0.000 0.623 172 A CB -1.450 17.625 19.000 0.124 0.000 0.818 172 A HN 0.479 nan 8.150 nan 0.000 0.443 173 G N -1.434 107.450 108.800 0.141 0.000 2.408 173 G HA2 -0.250 3.711 3.960 0.002 0.000 0.217 173 G HA3 -0.250 3.711 3.960 0.002 0.000 0.217 173 G C 1.479 176.422 174.900 0.072 0.000 1.150 173 G CA 1.386 46.559 45.100 0.123 0.000 0.776 173 G HN 0.758 nan 8.290 nan 0.000 0.542 174 H N 0.680 119.765 119.070 0.025 0.000 2.321 174 H HA 0.085 4.642 4.556 0.002 0.000 0.300 174 H C 2.262 177.586 175.328 -0.007 0.000 1.087 174 H CA 1.287 57.337 56.048 0.003 0.000 1.319 174 H CB -0.308 29.445 29.762 -0.015 0.000 1.379 174 H HN 0.257 nan 8.280 nan 0.000 0.501 175 L N 0.281 121.422 121.223 -0.136 0.000 2.610 175 L HA 0.002 4.343 4.340 0.002 0.000 0.232 175 L C 0.538 177.376 176.870 -0.053 0.000 1.149 175 L CA 0.654 55.430 54.840 -0.106 0.000 0.872 175 L CB -0.222 41.912 42.059 0.125 0.000 0.992 175 L HN 0.304 nan 8.230 nan 0.000 0.447 176 K N 0.280 120.618 120.400 -0.105 0.000 3.071 176 K HA -0.178 4.143 4.320 0.002 0.000 0.265 176 K C -0.106 176.432 176.600 -0.103 0.000 1.060 176 K CA 0.234 56.463 56.287 -0.095 0.000 0.767 176 K CB -1.971 30.491 32.500 -0.064 0.000 1.241 176 K HN 0.316 nan 8.250 nan 0.000 0.486 177 L N 0.803 121.919 121.223 -0.178 0.000 2.597 177 L HA -0.032 4.309 4.340 0.002 0.000 0.261 177 L C 2.046 178.768 176.870 -0.247 0.000 1.389 177 L CA 0.415 55.119 54.840 -0.227 0.000 1.203 177 L CB -0.507 41.404 42.059 -0.247 0.000 1.401 177 L HN 0.470 nan 8.230 nan 0.000 0.443 178 G N 1.484 110.180 108.800 -0.173 0.000 2.475 178 G HA2 -0.279 3.682 3.960 0.002 0.000 0.220 178 G HA3 -0.279 3.682 3.960 0.002 0.000 0.220 178 G C 1.227 176.079 174.900 -0.080 0.000 1.125 178 G CA 0.439 45.467 45.100 -0.119 0.000 0.755 178 G HN 0.519 nan 8.290 nan 0.000 0.565 179 N N -0.552 118.058 118.700 -0.151 0.000 2.461 179 N HA 0.097 4.838 4.740 0.002 0.000 0.188 179 N C 0.129 175.597 175.510 -0.068 0.000 1.134 179 N CA -0.110 52.858 53.050 -0.136 0.000 0.878 179 N CB 0.153 38.352 38.487 -0.479 0.000 0.972 179 N HN 0.271 nan 8.380 nan 0.000 0.456 180 L N 1.550 122.688 121.223 -0.142 0.000 2.282 180 L HA 0.413 4.754 4.340 0.002 0.000 0.287 180 L C -0.834 175.979 176.870 -0.095 0.000 1.075 180 L CA -0.092 54.656 54.840 -0.154 0.000 0.839 180 L CB -0.004 41.912 42.059 -0.238 0.000 1.219 180 L HN -0.025 nan 8.230 nan 0.000 0.434 181 I N 5.350 125.912 120.570 -0.013 0.000 2.330 181 I HA 0.538 4.709 4.170 0.002 0.000 0.289 181 I C 0.159 176.427 176.117 0.250 0.000 1.001 181 I CA -0.435 60.941 61.300 0.127 0.000 1.193 181 I CB 1.443 39.560 38.000 0.194 0.000 1.345 181 I HN 0.697 nan 8.210 nan 0.000 0.461 182 A N 8.062 131.058 122.820 0.293 0.000 2.304 182 A HA 0.802 5.123 4.320 0.002 0.000 0.323 182 A C -0.492 177.240 177.584 0.246 0.000 1.195 182 A CA -0.475 51.746 52.037 0.306 0.000 0.826 182 A CB 0.621 19.840 19.000 0.365 0.000 1.184 182 A HN 0.701 nan 8.150 nan 0.000 0.496 183 I N 3.084 123.802 120.570 0.246 0.000 2.382 183 I HA 0.173 4.344 4.170 0.002 0.000 0.285 183 I C -1.039 175.115 176.117 0.062 0.000 1.007 183 I CA -0.559 60.813 61.300 0.120 0.000 1.142 183 I CB 1.203 39.244 38.000 0.069 0.000 1.289 183 I HN 0.735 nan 8.210 nan 0.000 0.453 184 Y N 6.308 126.552 120.300 -0.093 0.000 2.383 184 Y HA 0.242 4.793 4.550 0.002 0.000 0.344 184 Y C 0.109 175.943 175.900 -0.109 0.000 0.986 184 Y CA -1.291 56.749 58.100 -0.100 0.000 1.175 184 Y CB 0.647 39.038 38.460 -0.116 0.000 1.152 184 Y HN 0.494 nan 8.280 nan 0.000 0.511 185 D N 4.898 125.225 120.400 -0.121 0.000 2.441 185 D HA -0.005 4.636 4.640 0.002 0.000 0.243 185 D C -0.833 175.174 176.300 -0.488 0.000 1.257 185 D CA 0.153 53.994 54.000 -0.265 0.000 1.027 185 D CB -0.315 40.421 40.800 -0.107 0.000 1.084 185 D HN 0.579 nan 8.370 nan 0.000 0.514 186 D N 2.471 122.406 120.400 -0.776 0.000 2.508 186 D HA -0.003 4.638 4.640 0.002 0.000 0.224 186 D C 0.553 176.693 176.300 -0.267 0.000 1.171 186 D CA -0.337 53.213 54.000 -0.750 0.000 1.006 186 D CB -0.245 40.134 40.800 -0.701 0.000 1.073 186 D HN 0.331 nan 8.370 nan 0.000 0.513 187 N N 1.819 120.447 118.700 -0.120 0.000 2.230 187 N HA 0.006 4.747 4.740 0.002 0.000 0.202 187 N C 0.292 175.815 175.510 0.023 0.000 1.119 187 N CA -0.348 52.685 53.050 -0.028 0.000 0.851 187 N CB 0.253 38.745 38.487 0.010 0.000 0.990 187 N HN 0.062 nan 8.380 nan 0.000 0.497 188 K N -0.852 119.573 120.400 0.042 0.000 3.274 188 K HA -0.101 4.220 4.320 0.002 0.000 0.300 188 K C -0.960 175.690 176.600 0.084 0.000 1.230 188 K CA 0.711 57.034 56.287 0.061 0.000 0.884 188 K CB -1.169 31.346 32.500 0.025 0.000 1.242 188 K HN 0.424 nan 8.250 nan 0.000 0.467 189 I N -0.322 120.315 120.570 0.111 0.000 2.894 189 I HA 0.461 4.632 4.170 0.002 0.000 0.302 189 I C 0.255 176.461 176.117 0.148 0.000 1.188 189 I CA -0.223 61.150 61.300 0.122 0.000 1.014 189 I CB 2.438 40.507 38.000 0.115 0.000 1.242 189 I HN 0.236 nan 8.210 nan 0.000 0.430 190 T N 0.635 115.279 114.554 0.151 0.000 2.762 190 T HA 0.544 4.895 4.350 0.002 0.000 0.301 190 T C 1.270 176.040 174.700 0.115 0.000 1.299 190 T CA -0.669 61.501 62.100 0.117 0.000 1.005 190 T CB 1.282 70.205 68.868 0.092 0.000 1.377 190 T HN 0.359 nan 8.240 nan 0.000 0.504 191 I N 0.798 121.395 120.570 0.044 0.000 2.091 191 I HA -0.268 3.903 4.170 0.002 0.000 0.240 191 I C 2.035 178.156 176.117 0.007 0.000 1.046 191 I CA 2.068 63.362 61.300 -0.010 0.000 1.306 191 I CB -0.415 37.564 38.000 -0.035 0.000 1.018 191 I HN 0.696 nan 8.210 nan 0.000 0.404 192 D N 0.259 120.691 120.400 0.053 0.000 2.263 192 D HA 0.055 4.696 4.640 0.002 0.000 0.208 192 D C 0.915 177.337 176.300 0.203 0.000 0.971 192 D CA 1.337 55.388 54.000 0.085 0.000 0.867 192 D CB 0.002 40.839 40.800 0.062 0.000 0.929 192 D HN 0.605 nan 8.370 nan 0.000 0.492 193 G N -0.891 108.067 108.800 0.264 0.000 2.347 193 G HA2 0.308 4.269 3.960 0.002 0.000 0.224 193 G HA3 0.308 4.269 3.960 0.002 0.000 0.224 193 G C -1.122 173.852 174.900 0.123 0.000 1.318 193 G CA -0.266 44.980 45.100 0.245 0.000 1.016 193 G HN 0.290 nan 8.290 nan 0.000 0.469 194 A N 0.094 122.941 122.820 0.045 0.000 2.511 194 A HA 0.508 4.829 4.320 0.002 0.000 0.242 194 A C 1.877 179.512 177.584 0.085 0.000 1.069 194 A CA 1.562 53.626 52.037 0.045 0.000 0.763 194 A CB -0.043 18.964 19.000 0.011 0.000 1.001 194 A HN 2.131 nan 8.150 nan 0.000 0.498 195 T N 0.024 114.644 114.554 0.110 0.000 2.929 195 T HA -0.194 4.157 4.350 0.002 0.000 0.271 195 T C 1.708 176.481 174.700 0.121 0.000 1.085 195 T CA 1.662 63.863 62.100 0.168 0.000 1.125 195 T CB -0.738 68.270 68.868 0.233 0.000 0.874 195 T HN 1.143 nan 8.240 nan 0.000 0.494 196 S N 1.194 116.931 115.700 0.061 0.000 2.469 196 S HA -0.010 4.461 4.470 0.002 0.000 0.238 196 S C 1.737 176.366 174.600 0.049 0.000 0.998 196 S CA 0.361 58.582 58.200 0.035 0.000 0.957 196 S CB -0.738 62.471 63.200 0.015 0.000 0.764 196 S HN 0.361 nan 8.310 nan 0.000 0.514 197 I N 2.186 122.795 120.570 0.065 0.000 2.676 197 I HA 0.002 4.173 4.170 0.002 0.000 0.259 197 I C 1.994 178.156 176.117 0.075 0.000 1.194 197 I CA 0.981 62.318 61.300 0.062 0.000 1.473 197 I CB -0.179 37.858 38.000 0.062 0.000 1.096 197 I HN 0.658 nan 8.210 nan 0.000 0.443 198 S N -2.509 113.258 115.700 0.112 0.000 2.752 198 S HA 0.170 4.641 4.470 0.002 0.000 0.242 198 S C 0.019 174.754 174.600 0.226 0.000 0.914 198 S CA -0.497 57.779 58.200 0.126 0.000 1.427 198 S CB -0.628 62.630 63.200 0.096 0.000 1.244 198 S HN 0.052 nan 8.310 nan 0.000 0.655 199 F N 3.565 123.530 119.950 0.025 0.000 2.971 199 F HA 0.463 4.991 4.527 0.002 0.000 0.373 199 F C -1.063 174.756 175.800 0.031 0.000 1.288 199 F CA -1.374 56.642 58.000 0.027 0.000 1.204 199 F CB 0.950 39.971 39.000 0.035 0.000 1.852 199 F HN 0.158 nan 8.300 nan 0.000 0.624 200 D N 0.709 121.047 120.400 -0.102 0.000 2.462 200 D HA 0.076 4.717 4.640 0.002 0.000 0.221 200 D C 0.367 176.543 176.300 -0.206 0.000 1.173 200 D CA -0.179 53.711 54.000 -0.184 0.000 0.831 200 D CB -0.252 40.506 40.800 -0.071 0.000 1.001 200 D HN 0.648 nan 8.370 nan 0.000 0.499 201 E N -0.041 120.008 120.200 -0.253 0.000 2.428 201 E HA 0.037 4.388 4.350 0.002 0.000 0.257 201 E C -0.465 176.029 176.600 -0.177 0.000 1.197 201 E CA -0.491 55.814 56.400 -0.158 0.000 0.974 201 E CB 0.470 30.122 29.700 -0.080 0.000 0.976 201 E HN -0.188 nan 8.360 nan 0.000 0.463 202 D N 1.460 121.802 120.400 -0.096 0.000 2.500 202 D HA 0.089 4.730 4.640 0.002 0.000 0.219 202 D C 0.654 176.925 176.300 -0.049 0.000 1.137 202 D CA -0.424 53.537 54.000 -0.065 0.000 0.946 202 D CB 0.873 41.651 40.800 -0.035 0.000 1.022 202 D HN 0.367 nan 8.370 nan 0.000 0.518 203 V N 3.303 123.183 119.914 -0.057 0.000 2.324 203 V HA -0.297 3.824 4.120 0.002 0.000 0.250 203 V C 2.493 178.598 176.094 0.019 0.000 1.060 203 V CA 2.211 64.502 62.300 -0.015 0.000 1.042 203 V CB -0.696 31.087 31.823 -0.067 0.000 0.650 203 V HN 0.612 nan 8.190 nan 0.000 0.450 204 A N -0.331 122.505 122.820 0.028 0.000 1.883 204 A HA -0.299 4.022 4.320 0.002 0.000 0.217 204 A C 2.369 179.986 177.584 0.055 0.000 1.186 204 A CA 2.354 54.424 52.037 0.055 0.000 0.624 204 A CB -0.514 18.586 19.000 0.166 0.000 0.822 204 A HN 0.539 nan 8.150 nan 0.000 0.444 205 K N -0.557 119.861 120.400 0.030 0.000 2.097 205 K HA -0.145 4.176 4.320 0.002 0.000 0.205 205 K C 2.332 178.890 176.600 -0.070 0.000 1.050 205 K CA 1.360 57.647 56.287 -0.001 0.000 0.938 205 K CB -0.154 32.341 32.500 -0.009 0.000 0.718 205 K HN 0.482 nan 8.250 nan 0.000 0.442 206 R N -0.679 119.751 120.500 -0.116 0.000 2.066 206 R HA -0.147 4.194 4.340 0.002 0.000 0.232 206 R C 1.878 177.842 176.300 -0.560 0.000 1.131 206 R CA 1.481 57.392 56.100 -0.316 0.000 0.955 206 R CB -0.394 29.732 30.300 -0.291 0.000 0.851 206 R HN 0.187 nan 8.270 nan 0.000 0.432 207 Y N 1.403 121.436 120.300 -0.446 0.000 2.274 207 Y HA -0.111 4.440 4.550 0.002 0.000 0.290 207 Y C 2.118 177.952 175.900 -0.110 0.000 1.145 207 Y CA 1.626 59.491 58.100 -0.391 0.000 1.203 207 Y CB 0.033 38.297 38.460 -0.326 0.000 0.984 207 Y HN 0.241 nan 8.280 nan 0.000 0.533 208 E N -0.674 119.559 120.200 0.056 0.000 2.106 208 E HA -0.189 4.162 4.350 0.002 0.000 0.192 208 E C 2.353 178.993 176.600 0.066 0.000 0.984 208 E CA 0.840 57.301 56.400 0.101 0.000 0.806 208 E CB -0.210 29.535 29.700 0.075 0.000 0.750 208 E HN 0.449 nan 8.360 nan 0.000 0.458 209 A N 0.583 123.375 122.820 -0.047 0.000 2.015 209 A HA -0.164 4.157 4.320 0.002 0.000 0.219 209 A C 1.612 179.246 177.584 0.083 0.000 1.163 209 A CA 1.012 53.029 52.037 -0.033 0.000 0.646 209 A CB -0.494 18.428 19.000 -0.130 0.000 0.806 209 A HN 0.225 nan 8.150 nan 0.000 0.448 210 Y N -1.017 119.288 120.300 0.007 0.000 2.439 210 Y HA 0.238 4.789 4.550 0.002 0.000 0.292 210 Y C 2.105 178.126 175.900 0.202 0.000 1.130 210 Y CA 0.335 58.465 58.100 0.050 0.000 1.254 210 Y CB -0.450 37.954 38.460 -0.093 0.000 1.000 210 Y HN 0.470 nan 8.280 nan 0.000 0.554 211 G N -3.149 105.879 108.800 0.381 0.000 2.175 211 G HA2 -0.203 3.758 3.960 0.002 0.000 0.182 211 G HA3 -0.203 3.758 3.960 0.002 0.000 0.182 211 G C -0.103 174.999 174.900 0.337 0.000 1.003 211 G CA -0.447 44.825 45.100 0.286 0.000 0.666 211 G HN 0.118 nan 8.290 nan 0.000 0.506 212 W N 0.866 122.256 121.300 0.149 0.000 2.089 212 W HA 0.657 5.318 4.660 0.002 0.000 0.362 212 W C 0.757 177.345 176.519 0.115 0.000 1.362 212 W CA -0.350 57.091 57.345 0.160 0.000 1.460 212 W CB 0.414 30.047 29.460 0.290 0.000 1.204 212 W HN 0.205 nan 8.180 nan 0.000 0.657 213 E N 0.312 120.717 120.200 0.341 0.000 2.183 213 E HA 0.526 4.877 4.350 0.002 0.000 0.271 213 E C -1.736 174.967 176.600 0.171 0.000 0.919 213 E CA -0.505 56.011 56.400 0.193 0.000 0.781 213 E CB 1.570 31.341 29.700 0.119 0.000 1.140 213 E HN 0.183 nan 8.360 nan 0.000 0.402 214 V N 5.762 125.715 119.914 0.064 0.000 2.448 214 V HA 0.413 4.534 4.120 0.002 0.000 0.295 214 V C -0.061 175.860 176.094 -0.289 0.000 1.025 214 V CA -0.646 61.584 62.300 -0.116 0.000 0.859 214 V CB 1.198 32.912 31.823 -0.180 0.000 0.988 214 V HN 0.669 nan 8.190 nan 0.000 0.431 215 L N 4.479 125.492 121.223 -0.350 0.000 2.303 215 L HA 0.726 5.067 4.340 0.002 0.000 0.266 215 L C -1.306 175.260 176.870 -0.507 0.000 1.011 215 L CA -0.843 53.832 54.840 -0.275 0.000 0.818 215 L CB 2.229 44.261 42.059 -0.045 0.000 1.326 215 L HN 0.530 nan 8.230 nan 0.000 0.435 216 Y N -0.326 119.994 120.300 0.034 0.000 2.524 216 Y HA 0.643 5.194 4.550 0.002 0.000 0.347 216 Y C -0.523 175.378 175.900 0.002 0.000 1.005 216 Y CA -1.049 57.059 58.100 0.013 0.000 1.025 216 Y CB 2.085 40.549 38.460 0.006 0.000 1.275 216 Y HN 0.015 nan 8.280 nan 0.000 0.460 217 V N 1.895 121.891 119.914 0.136 0.000 2.509 217 V HA 0.173 4.294 4.120 0.002 0.000 0.289 217 V C 0.182 176.293 176.094 0.028 0.000 1.026 217 V CA -0.918 61.417 62.300 0.058 0.000 0.872 217 V CB 1.426 33.256 31.823 0.011 0.000 1.017 217 V HN 0.952 nan 8.190 nan 0.000 0.436 218 E N 2.739 122.952 120.200 0.022 0.000 2.435 218 E HA -0.015 4.336 4.350 0.002 0.000 0.195 218 E C 0.777 177.361 176.600 -0.027 0.000 1.029 218 E CA 0.485 56.882 56.400 -0.005 0.000 0.865 218 E CB 0.282 29.976 29.700 -0.009 0.000 0.833 218 E HN 0.499 nan 8.360 nan 0.000 0.510 219 N N 0.433 119.112 118.700 -0.035 0.000 2.757 219 N HA 0.167 4.908 4.740 0.002 0.000 0.296 219 N C 0.508 175.963 175.510 -0.092 0.000 1.874 219 N CA 0.019 53.037 53.050 -0.054 0.000 0.885 219 N CB 0.797 39.260 38.487 -0.040 0.000 1.242 219 N HN 0.225 nan 8.380 nan 0.000 0.488 220 G N 0.424 109.161 108.800 -0.106 0.000 2.586 220 G HA2 -0.206 3.755 3.960 0.002 0.000 0.215 220 G HA3 -0.206 3.755 3.960 0.002 0.000 0.215 220 G C 1.231 176.007 174.900 -0.207 0.000 1.128 220 G CA 0.257 45.273 45.100 -0.141 0.000 0.774 220 G HN 0.387 nan 8.290 nan 0.000 0.543 221 N N 0.771 119.321 118.700 -0.250 0.000 2.446 221 N HA 0.003 4.744 4.740 0.002 0.000 0.179 221 N C 1.574 176.780 175.510 -0.507 0.000 1.054 221 N CA 1.278 54.039 53.050 -0.483 0.000 0.905 221 N CB 0.214 38.367 38.487 -0.556 0.000 0.973 221 N HN 0.810 nan 8.380 nan 0.000 0.448 222 E N -1.229 118.801 120.200 -0.283 0.000 2.713 222 E HA 0.046 4.397 4.350 0.002 0.000 0.199 222 E C -0.946 175.568 176.600 -0.144 0.000 0.940 222 E CA -0.175 56.097 56.400 -0.214 0.000 1.310 222 E CB -0.348 29.269 29.700 -0.138 0.000 1.129 222 E HN -0.153 nan 8.360 nan 0.000 0.557 223 D N 1.897 122.218 120.400 -0.131 0.000 2.638 223 D HA 0.233 4.875 4.640 0.002 0.000 0.245 223 D C 1.035 177.268 176.300 -0.112 0.000 1.176 223 D CA -0.306 53.642 54.000 -0.087 0.000 0.996 223 D CB 0.329 41.099 40.800 -0.049 0.000 1.012 223 D HN 0.179 nan 8.370 nan 0.000 0.515 224 L N 1.074 122.183 121.223 -0.191 0.000 2.187 224 L HA -0.173 4.168 4.340 0.002 0.000 0.213 224 L C 2.300 179.075 176.870 -0.158 0.000 1.100 224 L CA 1.179 55.782 54.840 -0.394 0.000 0.765 224 L CB -0.418 41.132 42.059 -0.849 0.000 0.904 224 L HN 0.338 nan 8.230 nan 0.000 0.437 225 A N 0.574 123.439 122.820 0.075 0.000 1.841 225 A HA -0.092 4.229 4.320 0.002 0.000 0.214 225 A C 2.452 180.120 177.584 0.139 0.000 1.195 225 A CA 1.662 53.832 52.037 0.222 0.000 0.611 225 A CB -1.304 17.795 19.000 0.166 0.000 0.835 225 A HN 0.398 nan 8.150 nan 0.000 0.443 226 G N 0.047 108.889 108.800 0.070 0.000 2.440 226 G HA2 -0.201 3.760 3.960 0.002 0.000 0.218 226 G HA3 -0.201 3.760 3.960 0.002 0.000 0.218 226 G C 1.519 176.452 174.900 0.054 0.000 1.154 226 G CA 1.146 46.279 45.100 0.056 0.000 0.767 226 G HN 0.483 nan 8.290 nan 0.000 0.552 227 I N 1.405 121.992 120.570 0.028 0.000 2.163 227 I HA -0.238 3.933 4.170 0.002 0.000 0.243 227 I C 3.312 179.469 176.117 0.066 0.000 1.085 227 I CA 1.143 62.456 61.300 0.022 0.000 1.347 227 I CB -0.370 37.612 38.000 -0.030 0.000 1.044 227 I HN 0.258 nan 8.210 nan 0.000 0.408 228 A N 1.065 123.959 122.820 0.123 0.000 1.902 228 A HA -0.273 4.048 4.320 0.002 0.000 0.217 228 A C 2.327 179.976 177.584 0.109 0.000 1.181 228 A CA 2.174 54.311 52.037 0.166 0.000 0.623 228 A CB -0.533 18.665 19.000 0.330 0.000 0.818 228 A HN 0.366 nan 8.150 nan 0.000 0.443 229 K N 0.117 120.578 120.400 0.102 0.000 2.057 229 K HA -0.041 4.280 4.320 0.002 0.000 0.207 229 K C 1.970 178.608 176.600 0.065 0.000 1.049 229 K CA 1.665 57.996 56.287 0.074 0.000 0.931 229 K CB -0.452 32.091 32.500 0.071 0.000 0.714 229 K HN 0.313 nan 8.250 nan 0.000 0.440 230 A N 0.819 123.679 122.820 0.066 0.000 1.877 230 A HA -0.102 4.219 4.320 0.002 0.000 0.216 230 A C 2.203 179.825 177.584 0.064 0.000 1.186 230 A CA 1.742 53.817 52.037 0.062 0.000 0.620 230 A CB -0.654 18.380 19.000 0.057 0.000 0.822 230 A HN 0.372 nan 8.150 nan 0.000 0.443 231 I N -0.276 120.334 120.570 0.067 0.000 2.226 231 I HA -0.260 3.911 4.170 0.002 0.000 0.245 231 I C 2.914 179.055 176.117 0.040 0.000 1.100 231 I CA 1.036 62.377 61.300 0.069 0.000 1.374 231 I CB -0.248 37.785 38.000 0.054 0.000 1.057 231 I HN 0.352 nan 8.210 nan 0.000 0.413 232 A N 0.017 122.858 122.820 0.035 0.000 1.930 232 A HA -0.262 4.059 4.320 0.002 0.000 0.217 232 A C 2.249 179.849 177.584 0.026 0.000 1.175 232 A CA 1.750 53.799 52.037 0.020 0.000 0.627 232 A CB -0.578 18.439 19.000 0.028 0.000 0.815 232 A HN 0.427 nan 8.150 nan 0.000 0.443 233 Q N -0.139 119.685 119.800 0.039 0.000 2.084 233 Q HA -0.051 4.290 4.340 0.002 0.000 0.202 233 Q C 2.065 178.092 176.000 0.044 0.000 0.978 233 Q CA 2.046 57.875 55.803 0.044 0.000 0.844 233 Q CB -0.514 28.255 28.738 0.052 0.000 0.898 233 Q HN 0.558 nan 8.270 nan 0.000 0.426 234 A N 0.877 123.725 122.820 0.046 0.000 1.883 234 A HA -0.248 4.073 4.320 0.002 0.000 0.217 234 A C 1.889 179.495 177.584 0.037 0.000 1.186 234 A CA 1.970 54.038 52.037 0.050 0.000 0.624 234 A CB -0.570 18.472 19.000 0.071 0.000 0.822 234 A HN 0.431 nan 8.150 nan 0.000 0.444 235 K N -0.271 120.128 120.400 -0.001 0.000 2.515 235 K HA 0.091 4.412 4.320 0.002 0.000 0.196 235 K C 1.374 178.016 176.600 0.070 0.000 1.038 235 K CA 0.589 56.870 56.287 -0.008 0.000 0.967 235 K CB -0.258 32.141 32.500 -0.168 0.000 0.780 235 K HN 0.499 nan 8.250 nan 0.000 0.483 236 L N 0.546 121.801 121.223 0.053 0.000 2.307 236 L HA -0.028 4.313 4.340 0.002 0.000 0.211 236 L C 1.004 177.905 176.870 0.052 0.000 1.099 236 L CA 0.280 55.153 54.840 0.054 0.000 0.816 236 L CB -0.055 42.030 42.059 0.044 0.000 0.952 236 L HN 0.053 nan 8.230 nan 0.000 0.455 237 S N 0.710 116.439 115.700 0.049 0.000 3.919 237 S HA 0.122 4.593 4.470 0.002 0.000 0.245 237 S C 0.747 175.364 174.600 0.029 0.000 1.344 237 S CA -0.763 57.459 58.200 0.036 0.000 0.896 237 S CB 0.016 63.236 63.200 0.034 0.000 1.557 237 S HN 0.250 nan 8.310 nan 0.000 0.468 238 K N 1.274 121.692 120.400 0.031 0.000 2.632 238 K HA 0.020 4.341 4.320 0.002 0.000 0.196 238 K C 0.560 177.156 176.600 -0.006 0.000 1.023 238 K CA 0.549 56.846 56.287 0.017 0.000 1.098 238 K CB -0.348 32.166 32.500 0.023 0.000 0.862 238 K HN 0.699 nan 8.250 nan 0.000 0.504 239 D N -0.100 120.293 120.400 -0.013 0.000 2.539 239 D HA 0.060 4.701 4.640 0.002 0.000 0.232 239 D C -0.685 175.588 176.300 -0.046 0.000 1.256 239 D CA -0.417 53.568 54.000 -0.025 0.000 0.810 239 D CB 0.442 41.229 40.800 -0.020 0.000 1.090 239 D HN 0.119 nan 8.370 nan 0.000 0.519 240 K N 1.556 121.921 120.400 -0.059 0.000 2.535 240 K HA 0.384 4.705 4.320 0.002 0.000 0.251 240 K C -2.995 173.503 176.600 -0.170 0.000 0.942 240 K CA -1.588 54.644 56.287 -0.092 0.000 0.798 240 K CB 2.962 35.455 32.500 -0.012 0.000 1.267 240 K HN -0.141 nan 8.250 nan 0.000 0.434 241 P HA 0.067 nan 4.420 nan 0.000 0.274 241 P C -0.722 176.432 177.300 -0.243 0.000 1.231 241 P CA -0.193 62.558 63.100 -0.582 0.000 0.790 241 P CB 0.777 31.624 31.700 -1.423 0.000 0.951 242 T N 2.352 116.885 114.554 -0.035 0.000 2.856 242 T HA 0.504 4.855 4.350 0.002 0.000 0.283 242 T C -0.375 174.545 174.700 0.366 0.000 1.008 242 T CA -0.400 61.816 62.100 0.193 0.000 0.997 242 T CB 1.007 69.940 68.868 0.109 0.000 0.992 242 T HN 0.247 nan 8.240 nan 0.000 0.454 243 L N 3.416 124.844 121.223 0.341 0.000 2.346 243 L HA 0.700 5.041 4.340 0.002 0.000 0.276 243 L C -1.403 175.485 176.870 0.031 0.000 1.006 243 L CA -0.628 54.320 54.840 0.181 0.000 0.817 243 L CB 1.048 43.057 42.059 -0.083 0.000 1.272 243 L HN 0.652 nan 8.230 nan 0.000 0.421 244 I N 4.851 125.441 120.570 0.033 0.000 2.382 244 I HA 0.334 4.505 4.170 0.002 0.000 0.285 244 I C -0.208 175.896 176.117 -0.020 0.000 1.007 244 I CA -0.598 60.692 61.300 -0.017 0.000 1.142 244 I CB 1.332 39.352 38.000 0.034 0.000 1.289 244 I HN 0.572 nan 8.210 nan 0.000 0.453 245 K N 8.300 128.654 120.400 -0.078 0.000 2.183 245 K HA 0.310 4.631 4.320 0.002 0.000 0.272 245 K C -0.365 176.204 176.600 -0.051 0.000 1.113 245 K CA -0.337 55.943 56.287 -0.011 0.000 0.949 245 K CB 0.432 32.963 32.500 0.051 0.000 1.365 245 K HN 0.613 nan 8.250 nan 0.000 0.420 246 M N 4.577 124.096 119.600 -0.135 0.000 2.069 246 M HA 0.146 4.627 4.480 0.002 0.000 0.349 246 M C -0.925 175.259 176.300 -0.195 0.000 1.194 246 M CA -0.137 55.083 55.300 -0.135 0.000 1.081 246 M CB 0.925 33.440 32.600 -0.141 0.000 1.500 246 M HN 0.346 nan 8.290 nan 0.000 0.438 247 T N 4.076 118.550 114.554 -0.133 0.000 2.814 247 T HA 0.361 4.712 4.350 0.002 0.000 0.297 247 T C 0.292 174.923 174.700 -0.116 0.000 0.956 247 T CA -0.138 61.884 62.100 -0.131 0.000 1.123 247 T CB 0.431 69.253 68.868 -0.076 0.000 0.902 247 T HN 0.807 nan 8.240 nan 0.000 0.528 248 T N -0.138 114.348 114.554 -0.114 0.000 2.864 248 T HA 0.670 5.021 4.350 0.002 0.000 0.289 248 T C -0.661 174.025 174.700 -0.023 0.000 1.082 248 T CA -0.906 61.142 62.100 -0.085 0.000 1.009 248 T CB 1.783 70.588 68.868 -0.105 0.000 1.234 248 T HN 0.329 nan 8.240 nan 0.000 0.526 249 T N 1.674 116.249 114.554 0.035 0.000 2.786 249 T HA 0.496 4.847 4.350 0.002 0.000 0.283 249 T C 0.114 174.882 174.700 0.114 0.000 0.992 249 T CA -0.561 61.596 62.100 0.095 0.000 0.954 249 T CB 0.737 69.716 68.868 0.185 0.000 0.934 249 T HN 0.729 nan 8.240 nan 0.000 0.440 250 I N 2.590 123.215 120.570 0.093 0.000 2.752 250 I HA 0.293 4.464 4.170 0.002 0.000 0.287 250 I C 1.274 177.466 176.117 0.124 0.000 1.188 250 I CA 1.130 62.493 61.300 0.105 0.000 1.427 250 I CB 0.272 38.337 38.000 0.108 0.000 1.365 250 I HN 0.999 nan 8.210 nan 0.000 0.585 251 G N 5.111 113.988 108.800 0.129 0.000 2.225 251 G HA2 -0.355 3.606 3.960 0.002 0.000 0.267 251 G HA3 -0.355 3.606 3.960 0.002 0.000 0.267 251 G C 0.132 175.115 174.900 0.140 0.000 1.024 251 G CA 0.323 45.497 45.100 0.124 0.000 0.784 251 G HN 0.789 nan 8.290 nan 0.000 0.507 252 Y N 0.079 120.411 120.300 0.054 0.000 2.904 252 Y HA 0.235 4.785 4.550 0.001 0.000 0.336 252 Y C 1.734 177.706 175.900 0.120 0.000 1.263 252 Y CA 2.017 60.158 58.100 0.070 0.000 1.547 252 Y CB 0.352 38.847 38.460 0.058 0.000 1.272 252 Y HN 1.290 nan 8.280 nan 0.000 0.596 253 G N 2.597 111.165 108.800 -0.387 0.000 2.317 253 G HA2 -0.307 3.654 3.960 0.002 0.000 0.227 253 G HA3 -0.307 3.654 3.960 0.002 0.000 0.227 253 G C 0.394 175.135 174.900 -0.266 0.000 1.042 253 G CA 0.172 45.119 45.100 -0.255 0.000 0.623 253 G HN 1.008 nan 8.290 nan 0.000 0.509 254 S N 0.423 116.038 115.700 -0.141 0.000 2.585 254 S HA 0.496 4.967 4.470 0.002 0.000 0.273 254 S C 1.582 176.095 174.600 -0.145 0.000 1.339 254 S CA -0.265 57.874 58.200 -0.102 0.000 1.028 254 S CB 0.647 63.852 63.200 0.008 0.000 0.906 254 S HN 0.470 nan 8.310 nan 0.000 0.528 255 L N 3.153 124.268 121.223 -0.180 0.000 2.633 255 L HA 0.107 4.448 4.340 0.002 0.000 0.235 255 L C 0.740 177.273 176.870 -0.562 0.000 1.163 255 L CA 1.537 56.168 54.840 -0.348 0.000 0.859 255 L CB -1.728 40.090 42.059 -0.403 0.000 0.973 255 L HN 0.739 nan 8.230 nan 0.000 0.451 256 H N -2.147 116.896 119.070 -0.045 0.000 2.750 256 H HA 0.484 5.041 4.556 0.002 0.000 0.252 256 H C 0.801 176.125 175.328 -0.008 0.000 1.176 256 H CA -0.109 55.927 56.048 -0.020 0.000 0.987 256 H CB 0.315 30.075 29.762 -0.003 0.000 1.810 256 H HN 0.120 nan 8.280 nan 0.000 0.630 257 A N 0.575 123.415 122.820 0.035 0.000 2.531 257 A HA 0.393 4.714 4.320 0.002 0.000 0.236 257 A C 1.749 179.362 177.584 0.048 0.000 1.062 257 A CA 1.016 53.078 52.037 0.041 0.000 0.760 257 A CB -0.474 18.517 19.000 -0.016 0.000 0.995 257 A HN 0.805 nan 8.150 nan 0.000 0.501 258 G N 0.470 109.310 108.800 0.066 0.000 2.253 258 G HA2 -0.215 3.746 3.960 0.002 0.000 0.251 258 G HA3 -0.215 3.746 3.960 0.002 0.000 0.251 258 G C 0.752 175.677 174.900 0.041 0.000 0.998 258 G CA 0.995 46.124 45.100 0.048 0.000 0.621 258 G HN 1.950 nan 8.290 nan 0.000 0.524 259 S N -0.149 115.593 115.700 0.069 0.000 2.646 259 S HA 0.564 5.035 4.470 0.002 0.000 0.276 259 S C 1.400 176.080 174.600 0.135 0.000 1.222 259 S CA 0.517 58.756 58.200 0.065 0.000 1.014 259 S CB 0.567 63.841 63.200 0.125 0.000 0.991 259 S HN 0.763 nan 8.310 nan 0.000 0.533 260 H N 0.588 119.679 119.070 0.035 0.000 2.539 260 H HA 0.219 4.776 4.556 0.002 0.000 0.269 260 H C 1.413 176.745 175.328 0.007 0.000 0.980 260 H CA 0.484 56.550 56.048 0.030 0.000 1.152 260 H CB -0.112 29.667 29.762 0.029 0.000 1.407 260 H HN 0.550 nan 8.280 nan 0.000 0.564 261 S N 1.211 117.051 115.700 0.233 0.000 2.603 261 S HA -0.066 4.405 4.470 0.002 0.000 0.229 261 S C 1.589 176.183 174.600 -0.010 0.000 0.972 261 S CA 0.452 58.673 58.200 0.034 0.000 0.935 261 S CB -0.221 62.958 63.200 -0.036 0.000 0.769 261 S HN 0.459 nan 8.310 nan 0.000 0.536 262 V N -3.030 116.914 119.914 0.051 0.000 3.376 262 V HA 0.711 4.832 4.120 0.002 0.000 0.313 262 V C 1.731 177.867 176.094 0.070 0.000 1.393 262 V CA 0.009 62.339 62.300 0.050 0.000 1.125 262 V CB -0.647 31.227 31.823 0.086 0.000 1.037 262 V HN 0.377 nan 8.190 nan 0.000 0.440 263 A N 1.785 124.646 122.820 0.068 0.000 1.843 263 A HA 0.429 4.750 4.320 0.002 0.000 0.213 263 A C 1.908 179.544 177.584 0.088 0.000 1.202 263 A CA 1.448 53.547 52.037 0.104 0.000 0.607 263 A CB -0.841 18.215 19.000 0.093 0.000 0.847 263 A HN 1.013 nan 8.150 nan 0.000 0.445 264 G N -1.299 107.456 108.800 -0.075 0.000 4.432 264 G HA2 0.568 4.529 3.960 0.002 0.000 0.294 264 G HA3 0.568 4.529 3.960 0.002 0.000 0.294 264 G C -0.284 174.398 174.900 -0.364 0.000 1.141 264 G CA 0.789 45.634 45.100 -0.426 0.000 0.895 264 G HN 0.916 nan 8.290 nan 0.000 0.548 265 A N 0.868 123.577 122.820 -0.184 0.000 2.515 265 A HA 0.934 5.255 4.320 0.002 0.000 0.298 265 A C -2.990 174.556 177.584 -0.062 0.000 1.059 265 A CA -1.459 50.505 52.037 -0.121 0.000 0.698 265 A CB 2.380 21.320 19.000 -0.100 0.000 1.289 265 A HN 0.054 nan 8.150 nan 0.000 0.404 266 P HA 0.345 nan 4.420 nan 0.000 0.275 266 P C -0.344 176.950 177.300 -0.011 0.000 1.228 266 P CA -0.040 63.058 63.100 -0.003 0.000 0.786 266 P CB 0.563 32.273 31.700 0.016 0.000 0.927 267 L N 1.879 123.102 121.223 0.000 0.000 2.472 267 L HA 0.214 4.555 4.340 0.002 0.000 0.260 267 L C 1.338 178.208 176.870 -0.000 0.000 1.209 267 L CA -0.519 54.323 54.840 0.003 0.000 0.817 267 L CB -0.191 41.873 42.059 0.009 0.000 1.106 267 L HN 0.250 nan 8.230 nan 0.000 0.479 268 K N 0.829 121.234 120.400 0.009 0.000 2.237 268 K HA 0.178 4.499 4.320 0.002 0.000 0.270 268 K C 0.830 177.432 176.600 0.003 0.000 1.015 268 K CA 0.119 56.410 56.287 0.008 0.000 0.949 268 K CB 1.186 33.701 32.500 0.024 0.000 0.976 268 K HN 0.725 nan 8.250 nan 0.000 0.472 269 A N 3.209 126.029 122.820 0.001 0.000 1.917 269 A HA -0.224 4.097 4.320 0.002 0.000 0.219 269 A C 1.393 178.972 177.584 -0.010 0.000 1.182 269 A CA 1.975 54.010 52.037 -0.003 0.000 0.633 269 A CB -0.293 18.709 19.000 0.003 0.000 0.819 269 A HN 0.800 nan 8.150 nan 0.000 0.448 270 D N -0.251 120.146 120.400 -0.006 0.000 2.144 270 D HA -0.156 4.485 4.640 0.002 0.000 0.200 270 D C 1.467 177.751 176.300 -0.026 0.000 0.978 270 D CA 1.457 55.449 54.000 -0.013 0.000 0.833 270 D CB -0.536 40.260 40.800 -0.006 0.000 0.961 270 D HN 0.482 nan 8.370 nan 0.000 0.470 271 D N 1.016 121.408 120.400 -0.013 0.000 2.144 271 D HA -0.119 4.522 4.640 0.002 0.000 0.200 271 D C 2.121 178.385 176.300 -0.060 0.000 0.978 271 D CA 0.455 54.440 54.000 -0.025 0.000 0.833 271 D CB 0.083 40.903 40.800 0.033 0.000 0.961 271 D HN -0.013 nan 8.370 nan 0.000 0.470 272 V N 0.478 120.362 119.914 -0.049 0.000 2.515 272 V HA -0.177 3.944 4.120 0.002 0.000 0.250 272 V C 2.432 178.474 176.094 -0.087 0.000 1.058 272 V CA 1.442 63.700 62.300 -0.070 0.000 1.064 272 V CB -0.411 31.379 31.823 -0.055 0.000 0.675 272 V HN 0.187 nan 8.190 nan 0.000 0.461 273 K N 0.748 121.108 120.400 -0.066 0.000 2.002 273 K HA -0.257 4.064 4.320 0.002 0.000 0.209 273 K C 2.312 178.857 176.600 -0.091 0.000 1.048 273 K CA 1.883 58.133 56.287 -0.061 0.000 0.930 273 K CB -0.292 32.185 32.500 -0.039 0.000 0.714 273 K HN 0.674 nan 8.250 nan 0.000 0.438 274 Q N 1.242 120.975 119.800 -0.111 0.000 2.181 274 Q HA -0.165 4.176 4.340 0.002 0.000 0.205 274 Q C 1.926 177.778 176.000 -0.247 0.000 0.980 274 Q CA 1.428 57.142 55.803 -0.147 0.000 0.862 274 Q CB -0.526 28.127 28.738 -0.141 0.000 0.905 274 Q HN 0.298 nan 8.270 nan 0.000 0.429 275 L N 0.017 121.060 121.223 -0.300 0.000 2.027 275 L HA -0.132 4.209 4.340 0.002 0.000 0.206 275 L C 2.123 178.696 176.870 -0.495 0.000 1.074 275 L CA 1.632 56.145 54.840 -0.545 0.000 0.745 275 L CB -0.131 41.688 42.059 -0.400 0.000 0.898 275 L HN 0.152 nan 8.230 nan 0.000 0.433 276 K N -0.710 119.564 120.400 -0.210 0.000 2.032 276 K HA -0.147 4.174 4.320 0.002 0.000 0.209 276 K C 2.096 178.726 176.600 0.049 0.000 1.048 276 K CA 1.773 58.037 56.287 -0.039 0.000 0.927 276 K CB -0.234 32.272 32.500 0.010 0.000 0.712 276 K HN 0.318 nan 8.250 nan 0.000 0.441 277 S N 1.365 117.050 115.700 -0.024 0.000 2.343 277 S HA -0.193 4.278 4.470 0.002 0.000 0.219 277 S C 1.898 176.498 174.600 0.001 0.000 1.033 277 S CA 1.372 59.573 58.200 0.002 0.000 1.014 277 S CB -0.260 62.920 63.200 -0.033 0.000 0.915 277 S HN 0.314 nan 8.310 nan 0.000 0.435 278 K N 0.165 120.497 120.400 -0.115 0.000 2.127 278 K HA -0.152 4.169 4.320 0.002 0.000 0.208 278 K C 0.897 177.574 176.600 0.128 0.000 1.047 278 K CA 1.410 57.626 56.287 -0.118 0.000 0.927 278 K CB -0.213 32.062 32.500 -0.375 0.000 0.716 278 K HN 0.282 nan 8.250 nan 0.000 0.450 279 F N -0.332 119.650 119.950 0.053 0.000 2.765 279 F HA 0.265 4.793 4.527 0.002 0.000 0.302 279 F C 1.655 177.582 175.800 0.212 0.000 1.111 279 F CA 0.338 58.400 58.000 0.104 0.000 1.359 279 F CB 0.277 39.306 39.000 0.049 0.000 1.097 279 F HN 0.356 nan 8.300 nan 0.000 0.577 280 G N -0.563 108.430 108.800 0.321 0.000 2.195 280 G HA2 -0.294 3.667 3.960 0.002 0.000 0.246 280 G HA3 -0.294 3.667 3.960 0.002 0.000 0.246 280 G C 0.371 175.357 174.900 0.144 0.000 0.984 280 G CA -0.336 44.876 45.100 0.186 0.000 0.633 280 G HN 0.150 nan 8.290 nan 0.000 0.525 281 F N 0.988 120.969 119.950 0.052 0.000 2.375 281 F HA 0.576 5.105 4.527 0.003 0.000 0.313 281 F C 0.853 176.657 175.800 0.006 0.000 1.176 281 F CA -0.829 57.186 58.000 0.025 0.000 1.142 281 F CB 0.498 39.517 39.000 0.032 0.000 1.275 281 F HN 0.050 nan 8.300 nan 0.000 0.544 282 N N 3.210 122.019 118.700 0.183 0.000 2.420 282 N HA 0.176 4.917 4.740 0.002 0.000 0.249 282 N C -1.890 173.677 175.510 0.095 0.000 1.033 282 N CA -2.279 50.828 53.050 0.094 0.000 0.944 282 N CB 0.943 39.465 38.487 0.057 0.000 1.113 282 N HN 0.150 nan 8.380 nan 0.000 0.502 283 P HA -0.039 nan 4.420 nan 0.000 0.234 283 P C -0.499 176.815 177.300 0.023 0.000 1.162 283 P CA 0.943 64.059 63.100 0.026 0.000 0.759 283 P CB 0.440 32.143 31.700 0.005 0.000 0.813 284 D N -1.239 119.181 120.400 0.034 0.000 2.431 284 D HA 0.136 4.777 4.640 0.002 0.000 0.213 284 D C 0.386 176.714 176.300 0.046 0.000 1.130 284 D CA 0.128 54.147 54.000 0.033 0.000 0.834 284 D CB 0.435 41.251 40.800 0.027 0.000 0.985 284 D HN 0.110 nan 8.370 nan 0.000 0.504 285 K N -0.104 120.332 120.400 0.060 0.000 2.328 285 K HA 0.675 4.996 4.320 0.002 0.000 0.246 285 K C -0.815 175.832 176.600 0.079 0.000 0.955 285 K CA -0.745 55.590 56.287 0.079 0.000 0.817 285 K CB 2.496 35.049 32.500 0.089 0.000 1.208 285 K HN -0.179 nan 8.250 nan 0.000 0.432 286 S N 0.613 116.380 115.700 0.112 0.000 2.542 286 S HA 0.504 4.975 4.470 0.002 0.000 0.293 286 S C -0.729 174.015 174.600 0.240 0.000 1.089 286 S CA -0.712 57.551 58.200 0.106 0.000 0.961 286 S CB 0.513 63.836 63.200 0.205 0.000 1.062 286 S HN 0.660 nan 8.310 nan 0.000 0.483 287 F N 0.085 120.060 119.950 0.041 0.000 3.027 287 F HA -0.167 4.361 4.527 0.001 0.000 0.276 287 F C -0.008 175.839 175.800 0.078 0.000 0.967 287 F CA -0.125 57.899 58.000 0.039 0.000 0.929 287 F CB -1.791 37.220 39.000 0.018 0.000 0.873 287 F HN 0.244 nan 8.300 nan 0.000 0.787 288 V N 1.023 121.045 119.914 0.181 0.000 2.407 288 V HA 0.607 4.728 4.120 0.002 0.000 0.278 288 V C 0.254 176.479 176.094 0.217 0.000 1.037 288 V CA -0.830 61.596 62.300 0.210 0.000 0.900 288 V CB 1.819 33.783 31.823 0.236 0.000 0.983 288 V HN 0.041 nan 8.190 nan 0.000 0.459 289 V N 6.350 126.353 119.914 0.149 0.000 2.483 289 V HA 0.399 4.520 4.120 0.002 0.000 0.297 289 V C -2.456 173.612 176.094 -0.042 0.000 1.027 289 V CA -1.865 60.442 62.300 0.012 0.000 0.855 289 V CB 1.785 33.474 31.823 -0.224 0.000 0.995 289 V HN 0.745 nan 8.190 nan 0.000 0.424 290 P HA 0.174 nan 4.420 nan 0.000 0.271 290 P C 0.610 177.875 177.300 -0.060 0.000 1.220 290 P CA -0.154 62.906 63.100 -0.066 0.000 0.768 290 P CB 0.840 32.477 31.700 -0.106 0.000 0.848 291 Q N 2.780 122.606 119.800 0.043 0.000 2.217 291 Q HA -0.270 4.071 4.340 0.002 0.000 0.209 291 Q C 1.249 177.305 176.000 0.093 0.000 0.988 291 Q CA 1.997 57.889 55.803 0.148 0.000 0.878 291 Q CB -0.402 28.411 28.738 0.126 0.000 0.909 291 Q HN 0.441 nan 8.270 nan 0.000 0.424 292 E N -1.219 118.989 120.200 0.013 0.000 2.110 292 E HA -0.135 4.216 4.350 0.002 0.000 0.193 292 E C 1.909 178.495 176.600 -0.024 0.000 0.988 292 E CA 1.462 57.859 56.400 -0.005 0.000 0.804 292 E CB -0.126 29.544 29.700 -0.049 0.000 0.745 292 E HN 0.224 nan 8.360 nan 0.000 0.458 293 V N 0.236 120.093 119.914 -0.095 0.000 2.307 293 V HA -0.258 3.863 4.120 0.002 0.000 0.245 293 V C 1.722 177.787 176.094 -0.048 0.000 1.045 293 V CA 1.599 63.793 62.300 -0.176 0.000 1.024 293 V CB -0.609 31.082 31.823 -0.220 0.000 0.651 293 V HN 0.248 nan 8.190 nan 0.000 0.449 294 Y N 1.225 121.566 120.300 0.069 0.000 2.053 294 Y HA -0.248 4.303 4.550 0.001 0.000 0.277 294 Y C 2.619 178.575 175.900 0.093 0.000 1.159 294 Y CA 1.528 59.689 58.100 0.102 0.000 1.125 294 Y CB -0.953 37.550 38.460 0.071 0.000 0.969 294 Y HN 0.328 nan 8.280 nan 0.000 0.492 295 D N -1.434 119.111 120.400 0.241 0.000 2.133 295 D HA -0.234 4.407 4.640 0.002 0.000 0.195 295 D C 2.049 178.429 176.300 0.134 0.000 0.997 295 D CA 1.979 56.070 54.000 0.152 0.000 0.840 295 D CB -0.675 40.192 40.800 0.112 0.000 0.947 295 D HN 0.488 nan 8.370 nan 0.000 0.452 296 H N -0.159 118.913 119.070 0.003 0.000 2.290 296 H HA -0.186 4.370 4.556 0.001 0.000 0.298 296 H C 1.669 177.030 175.328 0.055 0.000 1.087 296 H CA 1.671 57.696 56.048 -0.038 0.000 1.291 296 H CB -0.368 29.285 29.762 -0.181 0.000 1.369 296 H HN 0.093 nan 8.280 nan 0.000 0.492 297 Y N 0.042 120.387 120.300 0.075 0.000 2.497 297 Y HA -0.083 4.469 4.550 0.002 0.000 0.292 297 Y C 2.626 178.528 175.900 0.002 0.000 1.137 297 Y CA 1.169 59.281 58.100 0.021 0.000 1.285 297 Y CB -0.492 38.052 38.460 0.140 0.000 0.991 297 Y HN 0.407 nan 8.280 nan 0.000 0.556 298 Q N 0.885 120.785 119.800 0.166 0.000 2.062 298 Q HA -0.106 4.235 4.340 0.002 0.000 0.196 298 Q C 2.326 178.346 176.000 0.034 0.000 0.967 298 Q CA 1.703 57.559 55.803 0.089 0.000 0.832 298 Q CB -0.127 28.661 28.738 0.083 0.000 0.899 298 Q HN 0.362 nan 8.270 nan 0.000 0.442 299 K N -0.616 119.790 120.400 0.009 0.000 1.985 299 K HA -0.130 4.191 4.320 0.002 0.000 0.210 299 K C 1.939 178.512 176.600 -0.046 0.000 1.047 299 K CA 1.952 58.227 56.287 -0.020 0.000 0.932 299 K CB -0.486 31.999 32.500 -0.025 0.000 0.716 299 K HN 0.401 nan 8.250 nan 0.000 0.439 300 T N -1.798 112.687 114.554 -0.116 0.000 3.067 300 T HA 0.105 4.456 4.350 0.002 0.000 0.261 300 T C 1.789 176.483 174.700 -0.010 0.000 1.110 300 T CA 0.470 62.514 62.100 -0.094 0.000 1.113 300 T CB 0.049 68.792 68.868 -0.208 0.000 0.917 300 T HN 0.269 nan 8.240 nan 0.000 0.499 301 I N -1.142 119.446 120.570 0.030 0.000 3.623 301 I HA 0.258 4.429 4.170 0.002 0.000 0.253 301 I C 1.922 178.052 176.117 0.022 0.000 1.144 301 I CA -0.130 61.198 61.300 0.047 0.000 1.461 301 I CB -0.166 37.883 38.000 0.081 0.000 1.575 301 I HN 0.112 nan 8.210 nan 0.000 0.445 302 L N 1.875 123.109 121.223 0.018 0.000 1.943 302 L HA -0.183 4.158 4.340 0.002 0.000 0.215 302 L C 2.414 179.267 176.870 -0.030 0.000 1.074 302 L CA 2.123 56.950 54.840 -0.023 0.000 0.759 302 L CB -0.748 41.296 42.059 -0.025 0.000 0.888 302 L HN 0.065 nan 8.230 nan 0.000 0.433 303 K N -0.539 119.850 120.400 -0.018 0.000 2.074 303 K HA -0.184 4.137 4.320 0.002 0.000 0.209 303 K C -0.042 176.544 176.600 -0.023 0.000 1.048 303 K CA 2.062 58.334 56.287 -0.024 0.000 0.926 303 K CB -1.449 31.042 32.500 -0.014 0.000 0.713 303 K HN 0.402 nan 8.250 nan 0.000 0.444 304 P HA -0.108 nan 4.420 nan 0.000 0.216 304 P C 1.358 178.657 177.300 -0.003 0.000 1.153 304 P CA 1.512 64.612 63.100 0.000 0.000 0.844 304 P CB -0.158 31.550 31.700 0.015 0.000 0.787 305 G N -0.302 108.497 108.800 -0.001 0.000 2.418 305 G HA2 -0.210 3.751 3.960 0.002 0.000 0.217 305 G HA3 -0.210 3.751 3.960 0.002 0.000 0.217 305 G C 1.626 176.453 174.900 -0.122 0.000 1.158 305 G CA 0.602 45.702 45.100 0.000 0.000 0.771 305 G HN 0.124 nan 8.290 nan 0.000 0.545 306 V N 0.787 120.629 119.914 -0.120 0.000 2.255 306 V HA -0.221 3.900 4.120 0.002 0.000 0.247 306 V C 2.608 178.596 176.094 -0.176 0.000 1.051 306 V CA 2.342 64.544 62.300 -0.165 0.000 1.018 306 V CB -0.475 31.282 31.823 -0.110 0.000 0.641 306 V HN 0.594 nan 8.190 nan 0.000 0.445 307 E N 0.239 120.376 120.200 -0.105 0.000 2.070 307 E HA -0.300 4.051 4.350 0.002 0.000 0.197 307 E C 2.190 178.736 176.600 -0.090 0.000 1.004 307 E CA 1.761 58.116 56.400 -0.075 0.000 0.805 307 E CB -0.227 29.453 29.700 -0.033 0.000 0.744 307 E HN 0.571 nan 8.360 nan 0.000 0.451 308 A N 1.254 124.015 122.820 -0.099 0.000 1.898 308 A HA -0.216 4.105 4.320 0.002 0.000 0.216 308 A C 2.049 179.448 177.584 -0.309 0.000 1.181 308 A CA 1.575 53.575 52.037 -0.061 0.000 0.620 308 A CB -0.726 18.337 19.000 0.105 0.000 0.819 308 A HN 0.325 nan 8.150 nan 0.000 0.442 309 N N 0.661 118.886 118.700 -0.791 0.000 2.084 309 N HA -0.207 4.534 4.740 0.002 0.000 0.190 309 N C 1.611 176.860 175.510 -0.436 0.000 1.030 309 N CA 1.954 54.240 53.050 -1.273 0.000 0.849 309 N CB -0.658 37.136 38.487 -1.154 0.000 1.012 309 N HN 0.591 nan 8.380 nan 0.000 0.423 310 N N 0.254 118.802 118.700 -0.252 0.000 2.061 310 N HA -0.148 4.593 4.740 0.002 0.000 0.193 310 N C 1.616 177.128 175.510 0.003 0.000 1.030 310 N CA 1.616 54.613 53.050 -0.088 0.000 0.856 310 N CB -0.043 38.401 38.487 -0.072 0.000 1.023 310 N HN 0.148 nan 8.380 nan 0.000 0.424 311 K N -0.668 119.742 120.400 0.016 0.000 2.020 311 K HA -0.176 4.145 4.320 0.002 0.000 0.212 311 K C 1.739 178.432 176.600 0.155 0.000 1.050 311 K CA 1.779 58.112 56.287 0.076 0.000 0.929 311 K CB -0.485 32.068 32.500 0.089 0.000 0.714 311 K HN 0.383 nan 8.250 nan 0.000 0.443 312 W N 1.843 123.171 121.300 0.047 0.000 2.338 312 W HA -0.225 4.435 4.660 0.001 0.000 0.304 312 W C 1.374 178.000 176.519 0.179 0.000 1.212 312 W CA 2.106 59.557 57.345 0.177 0.000 1.264 312 W CB -0.329 29.359 29.460 0.380 0.000 1.142 312 W HN 0.156 nan 8.180 nan 0.000 0.512 313 N N 0.010 118.923 118.700 0.355 0.000 2.104 313 N HA -0.277 4.464 4.740 0.002 0.000 0.190 313 N C 1.762 177.336 175.510 0.107 0.000 1.024 313 N CA 2.111 55.317 53.050 0.260 0.000 0.853 313 N CB -0.406 38.197 38.487 0.194 0.000 1.008 313 N HN 0.244 nan 8.380 nan 0.000 0.424 314 K N 1.174 121.617 120.400 0.072 0.000 2.025 314 K HA -0.110 4.211 4.320 0.002 0.000 0.207 314 K C 2.005 178.630 176.600 0.042 0.000 1.049 314 K CA 1.001 57.315 56.287 0.045 0.000 0.933 314 K CB -0.434 32.088 32.500 0.036 0.000 0.714 314 K HN 0.067 nan 8.250 nan 0.000 0.438 315 L N 0.466 121.707 121.223 0.031 0.000 2.127 315 L HA -0.048 4.293 4.340 0.002 0.000 0.211 315 L C 2.135 179.088 176.870 0.139 0.000 1.089 315 L CA 1.465 56.353 54.840 0.080 0.000 0.757 315 L CB -0.597 41.468 42.059 0.011 0.000 0.899 315 L HN 0.331 nan 8.230 nan 0.000 0.434 316 F N 0.133 119.922 119.950 -0.269 0.000 2.234 316 F HA -0.131 4.397 4.527 0.001 0.000 0.299 316 F C 2.642 178.415 175.800 -0.046 0.000 1.087 316 F CA 1.226 59.040 58.000 -0.310 0.000 1.340 316 F CB -0.696 37.868 39.000 -0.727 0.000 1.031 316 F HN 0.337 nan 8.300 nan 0.000 0.500 317 S N -0.813 114.779 115.700 -0.181 0.000 2.453 317 S HA -0.089 4.382 4.470 0.002 0.000 0.231 317 S C 1.665 176.185 174.600 -0.133 0.000 1.005 317 S CA 0.792 58.857 58.200 -0.224 0.000 0.949 317 S CB -0.411 62.730 63.200 -0.098 0.000 0.774 317 S HN 0.385 nan 8.310 nan 0.000 0.510 318 E N 0.830 121.042 120.200 0.020 0.000 2.112 318 E HA -0.006 4.345 4.350 0.002 0.000 0.190 318 E C 1.631 178.226 176.600 -0.009 0.000 0.979 318 E CA 0.813 57.289 56.400 0.126 0.000 0.814 318 E CB -0.636 29.304 29.700 0.400 0.000 0.762 318 E HN 0.719 nan 8.360 nan 0.000 0.460 319 Y N 2.343 122.520 120.300 -0.204 0.000 2.145 319 Y HA -0.219 4.332 4.550 0.002 0.000 0.286 319 Y C 2.255 177.988 175.900 -0.279 0.000 1.145 319 Y CA 2.007 59.834 58.100 -0.454 0.000 1.148 319 Y CB -0.173 38.132 38.460 -0.258 0.000 0.981 319 Y HN 0.034 nan 8.280 nan 0.000 0.507 320 Q N -0.092 119.498 119.800 -0.350 0.000 2.234 320 Q HA -0.214 4.127 4.340 0.002 0.000 0.206 320 Q C 2.109 177.928 176.000 -0.300 0.000 0.980 320 Q CA 1.740 57.321 55.803 -0.371 0.000 0.869 320 Q CB -0.116 28.354 28.738 -0.447 0.000 0.912 320 Q HN 0.512 nan 8.270 nan 0.000 0.436 321 K N 0.128 120.364 120.400 -0.273 0.000 2.076 321 K HA -0.034 4.287 4.320 0.002 0.000 0.204 321 K C 2.075 178.480 176.600 -0.324 0.000 1.051 321 K CA 0.513 56.660 56.287 -0.232 0.000 0.949 321 K CB 0.142 32.548 32.500 -0.158 0.000 0.726 321 K HN -0.043 nan 8.250 nan 0.000 0.443 322 K N 0.279 120.396 120.400 -0.472 0.000 2.031 322 K HA -0.027 4.294 4.320 0.002 0.000 0.205 322 K C 0.370 176.300 176.600 -1.116 0.000 1.049 322 K CA 1.110 56.906 56.287 -0.818 0.000 0.939 322 K CB 0.136 31.986 32.500 -1.084 0.000 0.717 322 K HN 0.041 nan 8.250 nan 0.000 0.438 323 F N 0.709 120.337 119.950 -0.537 0.000 2.449 323 F HA 0.283 4.811 4.527 0.001 0.000 0.344 323 F C -1.869 173.692 175.800 -0.398 0.000 1.180 323 F CA -2.386 55.327 58.000 -0.477 0.000 1.209 323 F CB 1.257 39.847 39.000 -0.684 0.000 1.440 323 F HN -0.062 nan 8.300 nan 0.000 0.526 324 P HA -0.225 nan 4.420 nan 0.000 0.215 324 P C 1.299 178.562 177.300 -0.061 0.000 1.163 324 P CA 1.812 64.835 63.100 -0.128 0.000 0.894 324 P CB 0.386 32.020 31.700 -0.111 0.000 0.791 325 E N -1.029 119.158 120.200 -0.021 0.000 2.017 325 E HA -0.161 4.190 4.350 0.002 0.000 0.193 325 E C 1.941 178.578 176.600 0.062 0.000 0.997 325 E CA 1.066 57.478 56.400 0.021 0.000 0.804 325 E CB -1.172 28.548 29.700 0.032 0.000 0.757 325 E HN 0.051 nan 8.360 nan 0.000 0.448 326 L N 0.220 121.497 121.223 0.090 0.000 2.083 326 L HA -0.045 4.296 4.340 0.002 0.000 0.209 326 L C 2.226 179.226 176.870 0.217 0.000 1.083 326 L CA 2.049 57.009 54.840 0.200 0.000 0.752 326 L CB -1.124 41.080 42.059 0.242 0.000 0.899 326 L HN 0.263 nan 8.230 nan 0.000 0.433 327 G N -1.461 107.390 108.800 0.084 0.000 2.418 327 G HA2 -0.222 3.739 3.960 0.002 0.000 0.217 327 G HA3 -0.222 3.739 3.960 0.002 0.000 0.217 327 G C 1.698 176.662 174.900 0.107 0.000 1.158 327 G CA 0.777 45.958 45.100 0.136 0.000 0.771 327 G HN 0.507 nan 8.290 nan 0.000 0.545 328 A N 0.706 123.550 122.820 0.040 0.000 1.908 328 A HA -0.089 4.232 4.320 0.002 0.000 0.218 328 A C 2.144 179.773 177.584 0.075 0.000 1.181 328 A CA 2.136 54.199 52.037 0.043 0.000 0.627 328 A CB -0.476 18.535 19.000 0.019 0.000 0.818 328 A HN 0.507 nan 8.150 nan 0.000 0.445 329 E N -0.737 119.515 120.200 0.087 0.000 2.031 329 E HA -0.195 4.156 4.350 0.002 0.000 0.193 329 E C 1.935 178.549 176.600 0.022 0.000 0.994 329 E CA 1.354 57.803 56.400 0.082 0.000 0.800 329 E CB -0.227 29.565 29.700 0.152 0.000 0.752 329 E HN 0.416 nan 8.360 nan 0.000 0.447 330 L N 0.955 122.139 121.223 -0.064 0.000 2.046 330 L HA -0.095 4.246 4.340 0.002 0.000 0.208 330 L C 2.276 179.159 176.870 0.022 0.000 1.077 330 L CA 2.151 56.863 54.840 -0.213 0.000 0.747 330 L CB -0.777 41.042 42.059 -0.400 0.000 0.896 330 L HN 0.216 nan 8.230 nan 0.000 0.432 331 A N -0.434 122.526 122.820 0.233 0.000 1.908 331 A HA -0.278 4.043 4.320 0.002 0.000 0.218 331 A C 2.568 180.228 177.584 0.127 0.000 1.181 331 A CA 1.985 54.191 52.037 0.282 0.000 0.627 331 A CB -0.694 18.469 19.000 0.272 0.000 0.818 331 A HN 0.518 nan 8.150 nan 0.000 0.445 332 R N -0.395 120.152 120.500 0.078 0.000 2.075 332 R HA -0.095 4.246 4.340 0.002 0.000 0.232 332 R C 2.365 178.675 176.300 0.018 0.000 1.126 332 R CA 1.421 57.548 56.100 0.046 0.000 0.963 332 R CB -0.260 30.062 30.300 0.037 0.000 0.858 332 R HN 0.561 nan 8.270 nan 0.000 0.435 333 R N 0.283 120.778 120.500 -0.008 0.000 2.081 333 R HA -0.061 4.280 4.340 0.002 0.000 0.235 333 R C 2.273 178.551 176.300 -0.036 0.000 1.131 333 R CA 1.246 57.321 56.100 -0.042 0.000 0.960 333 R CB -0.329 29.922 30.300 -0.081 0.000 0.856 333 R HN 0.254 nan 8.270 nan 0.000 0.436 334 L N 1.041 122.247 121.223 -0.028 0.000 2.551 334 L HA -0.048 4.293 4.340 0.002 0.000 0.228 334 L C 2.099 178.976 176.870 0.012 0.000 1.153 334 L CA 0.742 55.569 54.840 -0.022 0.000 0.851 334 L CB -0.240 41.799 42.059 -0.033 0.000 0.959 334 L HN 0.260 nan 8.230 nan 0.000 0.451 335 S N -1.543 114.172 115.700 0.024 0.000 2.497 335 S HA 0.220 4.691 4.470 0.002 0.000 0.218 335 S C 1.502 176.116 174.600 0.023 0.000 1.023 335 S CA 0.388 58.609 58.200 0.034 0.000 0.913 335 S CB 0.753 63.982 63.200 0.047 0.000 0.800 335 S HN 0.417 nan 8.310 nan 0.000 0.505 336 G N 1.159 109.964 108.800 0.008 0.000 2.131 336 G HA2 -0.155 3.806 3.960 0.002 0.000 0.223 336 G HA3 -0.155 3.806 3.960 0.002 0.000 0.223 336 G C -0.343 174.553 174.900 -0.007 0.000 0.990 336 G CA -0.141 44.959 45.100 0.000 0.000 0.671 336 G HN 0.517 nan 8.290 nan 0.000 0.521 337 Q N -0.395 119.404 119.800 -0.003 0.000 2.245 337 Q HA 0.682 5.023 4.340 0.002 0.000 0.256 337 Q C 0.062 176.045 176.000 -0.028 0.000 0.942 337 Q CA -0.876 54.927 55.803 -0.001 0.000 0.896 337 Q CB 2.202 30.954 28.738 0.024 0.000 1.272 337 Q HN 0.218 nan 8.270 nan 0.000 0.442 338 L N 3.176 124.368 121.223 -0.052 0.000 2.439 338 L HA 0.397 4.738 4.340 0.002 0.000 0.261 338 L C -2.077 174.786 176.870 -0.012 0.000 1.153 338 L CA -1.746 53.012 54.840 -0.135 0.000 0.808 338 L CB -0.097 41.755 42.059 -0.346 0.000 1.126 338 L HN 0.415 nan 8.230 nan 0.000 0.460 339 P HA 0.073 nan 4.420 nan 0.000 0.266 339 P C -1.127 176.286 177.300 0.188 0.000 1.193 339 P CA -0.172 62.985 63.100 0.094 0.000 0.770 339 P CB 0.284 32.051 31.700 0.111 0.000 0.836 340 A N 2.897 125.795 122.820 0.129 0.000 2.477 340 A HA 0.090 4.411 4.320 0.002 0.000 0.246 340 A C 1.189 178.842 177.584 0.116 0.000 1.078 340 A CA 0.043 52.152 52.037 0.120 0.000 0.770 340 A CB -0.791 18.249 19.000 0.066 0.000 1.011 340 A HN 0.753 nan 8.150 nan 0.000 0.494 341 N N 0.460 119.209 118.700 0.081 0.000 2.732 341 N HA -0.207 4.534 4.740 0.002 0.000 0.250 341 N C 1.057 176.515 175.510 -0.087 0.000 1.097 341 N CA 1.464 54.497 53.050 -0.029 0.000 0.812 341 N CB -0.824 37.644 38.487 -0.032 0.000 1.148 341 N HN 1.014 nan 8.380 nan 0.000 0.572 342 W N 2.244 123.527 121.300 -0.028 0.000 2.305 342 W HA -0.215 4.446 4.660 0.002 0.000 0.308 342 W C 1.469 177.961 176.519 -0.044 0.000 1.226 342 W CA 1.631 58.952 57.345 -0.040 0.000 1.253 342 W CB -1.066 28.374 29.460 -0.034 0.000 1.146 342 W HN 0.270 nan 8.180 nan 0.000 0.507 343 E N 2.178 121.430 120.200 -1.580 0.000 2.501 343 E HA -0.190 4.161 4.350 0.002 0.000 0.203 343 E C 1.738 177.952 176.600 -0.643 0.000 1.072 343 E CA 1.659 57.186 56.400 -1.454 0.000 0.885 343 E CB -1.031 27.921 29.700 -1.247 0.000 0.813 343 E HN 0.455 nan 8.360 nan 0.000 0.556 344 S N 0.381 115.835 115.700 -0.411 0.000 2.496 344 S HA 0.072 4.543 4.470 0.002 0.000 0.224 344 S C 1.609 176.088 174.600 -0.201 0.000 0.996 344 S CA 0.043 58.094 58.200 -0.248 0.000 0.927 344 S CB -0.014 63.084 63.200 -0.169 0.000 0.774 344 S HN 0.158 nan 8.310 nan 0.000 0.524 345 K N 0.754 121.034 120.400 -0.200 0.000 2.444 345 K HA 0.316 4.637 4.320 0.002 0.000 0.193 345 K C -0.286 176.233 176.600 -0.135 0.000 1.024 345 K CA -0.086 56.121 56.287 -0.134 0.000 1.077 345 K CB -0.083 32.370 32.500 -0.079 0.000 0.833 345 K HN 0.406 nan 8.250 nan 0.000 0.517 346 L N 2.395 123.508 121.223 -0.184 0.000 2.349 346 L HA 0.214 4.555 4.340 0.002 0.000 0.275 346 L C -2.164 174.626 176.870 -0.134 0.000 1.115 346 L CA -2.157 52.595 54.840 -0.146 0.000 0.820 346 L CB 0.364 42.313 42.059 -0.183 0.000 1.135 346 L HN -0.165 nan 8.230 nan 0.000 0.445 347 P HA 0.201 nan 4.420 nan 0.000 0.272 347 P C -0.912 176.275 177.300 -0.188 0.000 1.223 347 P CA -0.278 62.708 63.100 -0.191 0.000 0.784 347 P CB 0.897 32.507 31.700 -0.151 0.000 0.923 348 T N -0.953 113.376 114.554 -0.375 0.000 2.909 348 T HA 0.700 5.051 4.350 0.002 0.000 0.299 348 T C -1.105 173.338 174.700 -0.428 0.000 1.073 348 T CA -0.614 61.363 62.100 -0.206 0.000 0.999 348 T CB 0.882 69.689 68.868 -0.101 0.000 1.098 348 T HN 0.180 nan 8.240 nan 0.000 0.477 349 Y N -0.019 120.276 120.300 -0.009 0.000 2.790 349 Y HA 0.836 5.387 4.550 0.002 0.000 0.323 349 Y C 0.719 176.622 175.900 0.005 0.000 1.230 349 Y CA -0.992 57.107 58.100 -0.001 0.000 1.121 349 Y CB 1.597 40.060 38.460 0.006 0.000 1.328 349 Y HN 1.041 nan 8.280 nan 0.000 0.514 350 T N -3.049 111.619 114.554 0.189 0.000 2.883 350 T HA 0.617 4.968 4.350 0.002 0.000 0.296 350 T C 0.628 175.386 174.700 0.097 0.000 1.117 350 T CA -0.435 61.730 62.100 0.108 0.000 1.006 350 T CB 1.543 70.449 68.868 0.064 0.000 1.191 350 T HN 0.798 nan 8.240 nan 0.000 0.508 351 A N 0.745 123.606 122.820 0.068 0.000 2.139 351 A HA -0.090 4.231 4.320 0.002 0.000 0.221 351 A C 1.950 179.561 177.584 0.044 0.000 1.159 351 A CA 1.624 53.691 52.037 0.051 0.000 0.662 351 A CB -0.846 18.179 19.000 0.042 0.000 0.796 351 A HN 0.855 nan 8.150 nan 0.000 0.463 352 K N -0.576 119.854 120.400 0.049 0.000 2.404 352 K HA 0.102 4.423 4.320 0.002 0.000 0.194 352 K C -1.004 175.626 176.600 0.050 0.000 1.023 352 K CA -0.106 56.206 56.287 0.041 0.000 1.094 352 K CB 0.171 32.691 32.500 0.033 0.000 0.841 352 K HN 0.221 nan 8.250 nan 0.000 0.523 353 D N 2.815 123.260 120.400 0.075 0.000 2.255 353 D HA 0.055 4.696 4.640 0.002 0.000 0.249 353 D C 0.107 176.443 176.300 0.060 0.000 1.078 353 D CA -0.081 53.976 54.000 0.095 0.000 0.896 353 D CB 1.732 42.650 40.800 0.196 0.000 1.194 353 D HN 0.212 nan 8.370 nan 0.000 0.429 354 S N 0.158 115.889 115.700 0.051 0.000 2.563 354 S HA 0.219 4.690 4.470 0.002 0.000 0.269 354 S C 0.261 174.859 174.600 -0.003 0.000 1.364 354 S CA -0.865 57.349 58.200 0.024 0.000 1.010 354 S CB 0.455 63.670 63.200 0.026 0.000 0.877 354 S HN 0.526 nan 8.310 nan 0.000 0.549 355 A N 1.131 123.943 122.820 -0.013 0.000 2.404 355 A HA 0.564 4.885 4.320 0.002 0.000 0.273 355 A C -0.167 177.394 177.584 -0.038 0.000 1.144 355 A CA -0.663 51.354 52.037 -0.033 0.000 0.806 355 A CB -0.479 18.504 19.000 -0.028 0.000 1.080 355 A HN 0.855 nan 8.150 nan 0.000 0.509 356 V N 1.734 121.609 119.914 -0.066 0.000 2.823 356 V HA 0.704 4.825 4.120 0.002 0.000 0.312 356 V C 0.646 176.703 176.094 -0.061 0.000 1.072 356 V CA -0.634 61.631 62.300 -0.059 0.000 0.937 356 V CB 1.465 33.232 31.823 -0.093 0.000 1.013 356 V HN 1.193 nan 8.190 nan 0.000 0.430 357 A N 1.900 124.699 122.820 -0.036 0.000 2.407 357 A HA 0.430 4.751 4.320 0.002 0.000 0.248 357 A C 1.282 178.854 177.584 -0.021 0.000 1.082 357 A CA 0.270 52.290 52.037 -0.029 0.000 0.785 357 A CB 0.166 19.155 19.000 -0.018 0.000 1.020 357 A HN 0.946 nan 8.150 nan 0.000 0.489 358 T N 0.649 115.198 114.554 -0.009 0.000 3.007 358 T HA -0.104 4.247 4.350 0.002 0.000 0.270 358 T C 1.932 176.664 174.700 0.053 0.000 1.107 358 T CA 1.461 63.570 62.100 0.016 0.000 1.118 358 T CB -0.233 68.657 68.868 0.036 0.000 0.889 358 T HN 0.691 nan 8.240 nan 0.000 0.506 359 R N 0.920 121.451 120.500 0.052 0.000 2.090 359 R HA -0.004 4.337 4.340 0.002 0.000 0.228 359 R C 2.332 178.685 176.300 0.088 0.000 1.110 359 R CA 0.985 57.139 56.100 0.090 0.000 0.973 359 R CB 0.015 30.362 30.300 0.078 0.000 0.869 359 R HN 0.080 nan 8.270 nan 0.000 0.440 360 K N 0.776 121.209 120.400 0.055 0.000 2.044 360 K HA -0.032 4.289 4.320 0.002 0.000 0.204 360 K C 2.189 178.816 176.600 0.046 0.000 1.049 360 K CA 0.865 57.183 56.287 0.052 0.000 0.945 360 K CB -0.229 32.291 32.500 0.033 0.000 0.724 360 K HN 0.221 nan 8.250 nan 0.000 0.440 361 L N 0.754 121.989 121.223 0.020 0.000 2.043 361 L HA -0.239 4.102 4.340 0.002 0.000 0.212 361 L C 2.629 179.520 176.870 0.035 0.000 1.075 361 L CA 1.429 56.277 54.840 0.014 0.000 0.752 361 L CB -0.591 41.434 42.059 -0.056 0.000 0.891 361 L HN 0.200 nan 8.230 nan 0.000 0.432 362 S N -0.426 115.310 115.700 0.060 0.000 2.383 362 S HA -0.281 4.190 4.470 0.002 0.000 0.229 362 S C 1.963 176.548 174.600 -0.025 0.000 1.030 362 S CA 1.860 60.096 58.200 0.060 0.000 1.002 362 S CB -0.175 63.141 63.200 0.193 0.000 0.829 362 S HN 0.511 nan 8.310 nan 0.000 0.467 363 E N -0.401 119.824 120.200 0.042 0.000 2.077 363 E HA -0.133 4.218 4.350 0.002 0.000 0.193 363 E C 1.852 178.473 176.600 0.034 0.000 0.989 363 E CA 1.615 58.050 56.400 0.058 0.000 0.800 363 E CB -0.347 29.402 29.700 0.081 0.000 0.746 363 E HN 0.535 nan 8.360 nan 0.000 0.452 364 T N 0.300 114.873 114.554 0.030 0.000 2.788 364 T HA -0.124 4.227 4.350 0.002 0.000 0.268 364 T C 1.847 176.535 174.700 -0.020 0.000 1.044 364 T CA 1.259 63.381 62.100 0.037 0.000 1.139 364 T CB -0.095 68.826 68.868 0.088 0.000 0.867 364 T HN 0.040 nan 8.240 nan 0.000 0.454 365 V N 1.426 121.273 119.914 -0.112 0.000 2.307 365 V HA -0.099 4.022 4.120 0.002 0.000 0.245 365 V C 2.482 178.434 176.094 -0.236 0.000 1.045 365 V CA 1.388 63.547 62.300 -0.236 0.000 1.024 365 V CB -0.693 30.810 31.823 -0.532 0.000 0.651 365 V HN 0.435 nan 8.190 nan 0.000 0.449 366 L N -0.353 120.730 121.223 -0.234 0.000 2.013 366 L HA -0.204 4.137 4.340 0.002 0.000 0.212 366 L C 2.787 179.660 176.870 0.005 0.000 1.073 366 L CA 1.598 56.375 54.840 -0.105 0.000 0.753 366 L CB -0.735 41.368 42.059 0.075 0.000 0.890 366 L HN 0.349 nan 8.230 nan 0.000 0.432 367 E N 0.217 120.469 120.200 0.086 0.000 2.058 367 E HA -0.225 4.126 4.350 0.002 0.000 0.194 367 E C 1.834 178.522 176.600 0.147 0.000 0.997 367 E CA 1.613 58.127 56.400 0.189 0.000 0.801 367 E CB -0.276 29.510 29.700 0.144 0.000 0.746 367 E HN 0.529 nan 8.360 nan 0.000 0.450 368 D N -0.001 120.404 120.400 0.009 0.000 2.097 368 D HA -0.126 4.515 4.640 0.002 0.000 0.197 368 D C 2.140 178.360 176.300 -0.133 0.000 0.984 368 D CA 1.509 55.472 54.000 -0.062 0.000 0.826 368 D CB -0.205 40.557 40.800 -0.064 0.000 0.973 368 D HN 0.210 nan 8.370 nan 0.000 0.460 369 V N -0.214 119.629 119.914 -0.119 0.000 2.951 369 V HA -0.111 4.010 4.120 0.002 0.000 0.255 369 V C 2.299 178.250 176.094 -0.239 0.000 1.088 369 V CA 0.859 63.090 62.300 -0.115 0.000 1.109 369 V CB -1.538 30.288 31.823 0.005 0.000 0.724 369 V HN 0.246 nan 8.190 nan 0.000 0.471 370 Y N 4.797 124.826 120.300 -0.452 0.000 2.139 370 Y HA -0.324 4.227 4.550 0.002 0.000 0.282 370 Y C 2.081 177.726 175.900 -0.424 0.000 1.179 370 Y CA 2.311 59.961 58.100 -0.750 0.000 1.161 370 Y CB -1.549 35.857 38.460 -1.758 0.000 0.970 370 Y HN 0.526 nan 8.280 nan 0.000 0.511 371 N N -0.668 117.297 118.700 -1.225 0.000 2.515 371 N HA -0.083 4.658 4.740 0.002 0.000 0.185 371 N C 1.428 176.731 175.510 -0.345 0.000 1.109 371 N CA 1.030 53.594 53.050 -0.809 0.000 0.903 371 N CB -0.268 37.656 38.487 -0.939 0.000 0.969 371 N HN 0.529 nan 8.380 nan 0.000 0.450 372 Q N 0.339 119.979 119.800 -0.266 0.000 2.259 372 Q HA 0.308 4.649 4.340 0.002 0.000 0.201 372 Q C -0.201 175.764 176.000 -0.059 0.000 0.938 372 Q CA 0.793 56.532 55.803 -0.106 0.000 0.872 372 Q CB 0.324 29.044 28.738 -0.030 0.000 0.971 372 Q HN 0.464 nan 8.270 nan 0.000 0.494 373 L N 2.855 124.026 121.223 -0.086 0.000 2.335 373 L HA 0.361 4.702 4.340 0.002 0.000 0.268 373 L C -1.748 175.105 176.870 -0.028 0.000 1.037 373 L CA -1.432 53.365 54.840 -0.071 0.000 0.895 373 L CB 1.316 43.307 42.059 -0.113 0.000 1.266 373 L HN 0.095 nan 8.230 nan 0.000 0.439 374 P HA -0.201 nan 4.420 nan 0.000 0.221 374 P C 0.746 178.093 177.300 0.079 0.000 1.145 374 P CA 1.168 64.306 63.100 0.063 0.000 0.795 374 P CB 0.278 32.033 31.700 0.091 0.000 0.775 375 E N -0.397 119.822 120.200 0.032 0.000 2.489 375 E HA -0.009 4.342 4.350 0.002 0.000 0.193 375 E C 0.499 177.165 176.600 0.111 0.000 1.057 375 E CA -0.290 56.114 56.400 0.007 0.000 0.866 375 E CB -0.556 29.084 29.700 -0.100 0.000 0.916 375 E HN 0.215 nan 8.360 nan 0.000 0.500 376 L N 2.197 123.492 121.223 0.122 0.000 2.342 376 L HA 0.319 4.660 4.340 0.002 0.000 0.285 376 L C -0.471 176.582 176.870 0.306 0.000 1.095 376 L CA -0.248 54.710 54.840 0.196 0.000 0.843 376 L CB 0.560 42.700 42.059 0.136 0.000 1.201 376 L HN 0.116 nan 8.230 nan 0.000 0.445 377 I N 5.160 125.886 120.570 0.261 0.000 2.382 377 I HA 0.698 4.869 4.170 0.002 0.000 0.286 377 I C 0.194 176.275 176.117 -0.060 0.000 1.002 377 I CA -0.156 61.239 61.300 0.159 0.000 1.135 377 I CB 0.931 38.956 38.000 0.042 0.000 1.288 377 I HN 0.685 nan 8.210 nan 0.000 0.448 378 G N 3.968 112.653 108.800 -0.192 0.000 3.013 378 G HA2 0.885 4.846 3.960 0.002 0.000 0.278 378 G HA3 0.885 4.846 3.960 0.002 0.000 0.278 378 G C -0.745 173.687 174.900 -0.781 0.000 1.353 378 G CA -0.492 43.984 45.100 -1.041 0.000 1.043 378 G HN 0.926 nan 8.290 nan 0.000 0.523 379 G N -1.842 106.484 108.800 -0.790 0.000 2.428 379 G HA2 0.606 4.567 3.960 0.002 0.000 0.304 379 G HA3 0.606 4.567 3.960 0.002 0.000 0.304 379 G C -1.369 173.411 174.900 -0.199 0.000 1.303 379 G CA 0.608 45.279 45.100 -0.714 0.000 0.825 379 G HN 1.459 nan 8.290 nan 0.000 0.484 380 S N -1.895 113.739 115.700 -0.110 0.000 2.607 380 S HA 0.719 5.190 4.470 0.002 0.000 0.273 380 S C -0.656 173.975 174.600 0.051 0.000 1.148 380 S CA 0.458 58.678 58.200 0.033 0.000 0.833 380 S CB 1.528 64.795 63.200 0.113 0.000 1.130 380 S HN 2.087 nan 8.310 nan 0.000 0.470 381 A N 2.447 125.259 122.820 -0.013 0.000 3.173 381 A HA 0.580 4.901 4.320 0.002 0.000 0.304 381 A C 0.234 177.766 177.584 -0.087 0.000 1.318 381 A CA 0.195 52.210 52.037 -0.037 0.000 1.069 381 A CB -1.268 17.684 19.000 -0.080 0.000 1.147 381 A HN 1.180 nan 8.150 nan 0.000 0.547 382 D N -0.474 119.890 120.400 -0.061 0.000 2.981 382 D HA -0.155 4.486 4.640 0.002 0.000 0.223 382 D C -0.060 176.178 176.300 -0.105 0.000 1.151 382 D CA 1.358 55.310 54.000 -0.079 0.000 0.827 382 D CB -1.399 39.340 40.800 -0.101 0.000 1.101 382 D HN 0.484 nan 8.370 nan 0.000 0.426 383 L N -0.455 120.714 121.223 -0.089 0.000 3.393 383 L HA 0.222 4.563 4.340 0.002 0.000 0.319 383 L C 1.772 178.648 176.870 0.009 0.000 1.309 383 L CA -0.029 54.744 54.840 -0.112 0.000 0.962 383 L CB 0.392 42.262 42.059 -0.315 0.000 1.391 383 L HN -0.017 nan 8.230 nan 0.000 0.607 384 T N 1.185 115.774 114.554 0.058 0.000 2.635 384 T HA -0.120 4.231 4.350 0.002 0.000 0.267 384 T C -0.475 174.272 174.700 0.079 0.000 1.040 384 T CA 1.829 63.994 62.100 0.108 0.000 1.156 384 T CB -0.864 68.070 68.868 0.108 0.000 0.863 384 T HN 0.316 nan 8.240 nan 0.000 0.430 385 P HA 0.070 nan 4.420 nan 0.000 0.223 385 P C 1.167 178.539 177.300 0.119 0.000 1.151 385 P CA 1.007 64.147 63.100 0.067 0.000 0.787 385 P CB 0.010 31.739 31.700 0.049 0.000 0.788 386 S N -0.271 115.518 115.700 0.148 0.000 2.456 386 S HA 0.059 4.530 4.470 0.002 0.000 0.224 386 S C 1.701 176.501 174.600 0.334 0.000 1.035 386 S CA 0.488 58.847 58.200 0.265 0.000 0.940 386 S CB -0.598 62.765 63.200 0.271 0.000 0.799 386 S HN 0.318 nan 8.310 nan 0.000 0.508 387 N N 1.380 120.225 118.700 0.241 0.000 2.395 387 N HA 0.259 5.000 4.740 0.002 0.000 0.175 387 N C -0.376 175.270 175.510 0.228 0.000 1.029 387 N CA 0.140 53.348 53.050 0.263 0.000 0.897 387 N CB -0.096 38.524 38.487 0.222 0.000 0.991 387 N HN 0.107 nan 8.380 nan 0.000 0.441 388 L N 1.046 122.377 121.223 0.181 0.000 3.601 388 L HA -0.184 4.157 4.340 0.002 0.000 0.469 388 L C 0.184 177.160 176.870 0.176 0.000 1.294 388 L CA 0.208 55.134 54.840 0.144 0.000 0.829 388 L CB -2.342 39.796 42.059 0.133 0.000 1.628 388 L HN 0.375 nan 8.230 nan 0.000 0.868 389 T N -3.708 110.979 114.554 0.221 0.000 3.145 389 T HA 0.215 4.566 4.350 0.002 0.000 0.255 389 T C 0.617 175.518 174.700 0.335 0.000 1.039 389 T CA -0.176 62.147 62.100 0.372 0.000 0.928 389 T CB 0.405 69.596 68.868 0.537 0.000 1.029 389 T HN 0.466 nan 8.240 nan 0.000 0.554 390 R N 0.921 121.425 120.500 0.007 0.000 2.480 390 R HA 0.516 4.857 4.340 0.002 0.000 0.306 390 R C -1.026 175.166 176.300 -0.179 0.000 0.958 390 R CA -1.262 54.600 56.100 -0.395 0.000 0.861 390 R CB 1.299 30.996 30.300 -1.004 0.000 1.171 390 R HN 0.549 nan 8.270 nan 0.000 0.445 391 W N 4.536 125.707 121.300 -0.214 0.000 2.161 391 W HA 0.330 4.991 4.660 0.002 0.000 0.344 391 W C 0.671 177.020 176.519 -0.284 0.000 1.262 391 W CA -0.811 56.391 57.345 -0.240 0.000 1.270 391 W CB 0.402 29.633 29.460 -0.382 0.000 1.126 391 W HN 0.368 nan 8.180 nan 0.000 0.598 392 K N 0.611 121.005 120.400 -0.009 0.000 2.001 392 K HA -0.253 4.068 4.320 0.002 0.000 0.214 392 K C 1.211 177.730 176.600 -0.135 0.000 1.050 392 K CA 2.013 58.255 56.287 -0.075 0.000 0.934 392 K CB -0.454 32.052 32.500 0.010 0.000 0.718 392 K HN 0.742 nan 8.250 nan 0.000 0.443 393 E N 0.890 121.055 120.200 -0.059 0.000 2.301 393 E HA 0.095 4.446 4.350 0.002 0.000 0.195 393 E C -0.813 175.711 176.600 -0.127 0.000 1.171 393 E CA -0.434 55.948 56.400 -0.031 0.000 1.142 393 E CB -0.001 29.776 29.700 0.128 0.000 1.218 393 E HN 0.197 nan 8.360 nan 0.000 0.448 394 A N 0.927 123.478 122.820 -0.448 0.000 2.302 394 A HA 0.461 4.782 4.320 0.002 0.000 0.285 394 A C -0.695 176.687 177.584 -0.337 0.000 1.105 394 A CA -0.595 51.045 52.037 -0.662 0.000 0.816 394 A CB 0.754 18.891 19.000 -1.438 0.000 1.067 394 A HN 0.334 nan 8.150 nan 0.000 0.489 395 L N 1.354 122.454 121.223 -0.205 0.000 2.362 395 L HA 0.565 4.906 4.340 0.002 0.000 0.275 395 L C -1.013 175.813 176.870 -0.074 0.000 0.998 395 L CA -0.489 54.285 54.840 -0.109 0.000 0.820 395 L CB 1.689 43.721 42.059 -0.044 0.000 1.270 395 L HN 0.643 nan 8.230 nan 0.000 0.415 396 D N 2.796 123.164 120.400 -0.053 0.000 2.357 396 D HA 0.129 4.770 4.640 0.002 0.000 0.242 396 D C -0.830 175.472 176.300 0.005 0.000 1.153 396 D CA 0.385 54.391 54.000 0.009 0.000 0.918 396 D CB 0.726 41.531 40.800 0.008 0.000 1.181 396 D HN 0.459 nan 8.370 nan 0.000 0.435 397 F N 1.946 121.828 119.950 -0.113 0.000 2.413 397 F HA 0.214 4.742 4.527 0.002 0.000 0.359 397 F C -0.134 175.615 175.800 -0.085 0.000 1.122 397 F CA 0.176 58.120 58.000 -0.093 0.000 1.160 397 F CB 0.141 39.054 39.000 -0.144 0.000 1.146 397 F HN 0.044 nan 8.300 nan 0.000 0.514 398 Q N 5.723 125.163 119.800 -0.600 0.000 2.685 398 Q HA 0.356 4.697 4.340 0.002 0.000 0.301 398 Q C -2.904 172.583 176.000 -0.855 0.000 0.924 398 Q CA -2.089 53.412 55.803 -0.504 0.000 0.755 398 Q CB 1.854 30.428 28.738 -0.273 0.000 1.470 398 Q HN 0.304 nan 8.270 nan 0.000 0.434 399 P HA 0.162 nan 4.420 nan 0.000 0.279 399 P C -1.994 174.900 177.300 -0.676 0.000 1.239 399 P CA -1.107 61.428 63.100 -0.942 0.000 0.789 399 P CB 0.417 31.819 31.700 -0.497 0.000 0.933 400 P HA -0.235 nan 4.420 nan 0.000 0.216 400 P C 1.328 178.467 177.300 -0.267 0.000 1.150 400 P CA 1.864 64.726 63.100 -0.397 0.000 0.843 400 P CB -0.351 31.154 31.700 -0.326 0.000 0.787 401 S N -0.808 114.744 115.700 -0.246 0.000 2.469 401 S HA -0.155 4.316 4.470 0.002 0.000 0.238 401 S C 1.977 176.487 174.600 -0.150 0.000 0.998 401 S CA 1.350 59.450 58.200 -0.168 0.000 0.957 401 S CB -1.548 61.565 63.200 -0.145 0.000 0.764 401 S HN 0.296 nan 8.310 nan 0.000 0.514 402 S N 1.627 117.216 115.700 -0.186 0.000 2.368 402 S HA 0.233 4.704 4.470 0.002 0.000 0.224 402 S C 1.947 176.484 174.600 -0.106 0.000 1.029 402 S CA 0.917 59.033 58.200 -0.140 0.000 0.988 402 S CB -1.366 61.737 63.200 -0.162 0.000 0.838 402 S HN 1.557 nan 8.310 nan 0.000 0.462 403 G N 0.009 108.736 108.800 -0.122 0.000 2.141 403 G HA2 -0.234 3.727 3.960 0.002 0.000 0.242 403 G HA3 -0.234 3.727 3.960 0.002 0.000 0.242 403 G C 0.712 175.560 174.900 -0.086 0.000 0.982 403 G CA 0.478 45.521 45.100 -0.095 0.000 0.662 403 G HN 0.746 nan 8.290 nan 0.000 0.527 404 S N -0.797 114.844 115.700 -0.098 0.000 2.526 404 S HA 0.598 5.069 4.470 0.002 0.000 0.220 404 S C 1.095 175.634 174.600 -0.100 0.000 1.017 404 S CA 0.980 59.131 58.200 -0.083 0.000 0.930 404 S CB 1.274 64.438 63.200 -0.060 0.000 0.856 404 S HN 1.948 nan 8.310 nan 0.000 0.497 405 G N 1.681 110.397 108.800 -0.139 0.000 2.360 405 G HA2 0.432 4.393 3.960 0.002 0.000 0.276 405 G HA3 0.432 4.393 3.960 0.002 0.000 0.276 405 G C -2.117 172.641 174.900 -0.238 0.000 1.256 405 G CA -0.436 44.570 45.100 -0.156 0.000 0.890 405 G HN 0.406 nan 8.290 nan 0.000 0.486 406 N N -3.200 115.334 118.700 -0.277 0.000 3.020 406 N HA 0.416 5.157 4.740 0.002 0.000 0.248 406 N C 0.017 175.259 175.510 -0.446 0.000 1.480 406 N CA -0.821 51.983 53.050 -0.411 0.000 0.874 406 N CB 0.532 38.848 38.487 -0.285 0.000 1.433 406 N HN 0.303 nan 8.380 nan 0.000 0.530 407 Y N -0.282 119.728 120.300 -0.483 0.000 2.384 407 Y HA -0.094 4.457 4.550 0.002 0.000 0.289 407 Y C 2.356 178.146 175.900 -0.184 0.000 1.152 407 Y CA 1.386 59.116 58.100 -0.617 0.000 1.258 407 Y CB -0.667 37.542 38.460 -0.419 0.000 0.979 407 Y HN 0.757 nan 8.280 nan 0.000 0.549 408 S N -0.882 114.834 115.700 0.026 0.000 2.522 408 S HA 0.123 4.594 4.470 0.002 0.000 0.227 408 S C 1.484 176.139 174.600 0.091 0.000 0.986 408 S CA 0.119 58.350 58.200 0.052 0.000 0.929 408 S CB -0.793 62.402 63.200 -0.007 0.000 0.769 408 S HN 0.282 nan 8.310 nan 0.000 0.529 409 G N 0.876 109.721 108.800 0.074 0.000 2.732 409 G HA2 0.321 4.282 3.960 0.002 0.000 0.244 409 G HA3 0.321 4.282 3.960 0.002 0.000 0.244 409 G C 0.342 175.356 174.900 0.190 0.000 1.226 409 G CA -0.775 44.384 45.100 0.099 0.000 0.860 409 G HN 0.480 nan 8.290 nan 0.000 0.583 410 R N -0.735 119.864 120.500 0.165 0.000 2.600 410 R HA 0.105 4.446 4.340 0.002 0.000 0.392 410 R C -1.055 175.301 176.300 0.092 0.000 1.032 410 R CA -0.280 55.938 56.100 0.196 0.000 1.139 410 R CB 0.802 31.339 30.300 0.395 0.000 1.400 410 R HN 0.489 nan 8.270 nan 0.000 0.566 411 Y N 1.349 121.552 120.300 -0.161 0.000 2.376 411 Y HA 0.429 4.980 4.550 0.002 0.000 0.326 411 Y C -0.580 175.183 175.900 -0.229 0.000 0.970 411 Y CA -1.214 56.711 58.100 -0.291 0.000 1.248 411 Y CB 0.602 38.796 38.460 -0.444 0.000 1.117 411 Y HN -0.066 nan 8.280 nan 0.000 0.476 412 I N 6.561 126.619 120.570 -0.852 0.000 2.395 412 I HA 0.351 4.522 4.170 0.002 0.000 0.289 412 I C -0.021 175.536 176.117 -0.933 0.000 1.023 412 I CA -0.622 60.179 61.300 -0.830 0.000 1.350 412 I CB 0.601 37.964 38.000 -1.062 0.000 1.409 412 I HN 0.361 nan 8.210 nan 0.000 0.507 413 R N 6.492 126.646 120.500 -0.576 0.000 2.369 413 R HA 0.183 4.524 4.340 0.002 0.000 0.310 413 R C -0.190 175.919 176.300 -0.319 0.000 1.141 413 R CA -0.350 55.538 56.100 -0.353 0.000 1.116 413 R CB 0.158 30.359 30.300 -0.166 0.000 1.135 413 R HN 0.622 nan 8.270 nan 0.000 0.529 414 Y N 0.757 120.928 120.300 -0.215 0.000 2.457 414 Y HA 0.015 4.566 4.550 0.002 0.000 0.292 414 Y C 1.865 177.679 175.900 -0.144 0.000 1.125 414 Y CA 1.080 59.075 58.100 -0.175 0.000 1.254 414 Y CB 0.173 38.521 38.460 -0.188 0.000 1.012 414 Y HN 0.858 nan 8.280 nan 0.000 0.555 415 G N 0.719 109.518 108.800 -0.001 0.000 2.693 415 G HA2 -0.283 3.678 3.960 0.002 0.000 0.226 415 G HA3 -0.283 3.678 3.960 0.002 0.000 0.226 415 G C -0.690 174.182 174.900 -0.045 0.000 1.354 415 G CA -0.437 44.635 45.100 -0.048 0.000 0.873 415 G HN 0.081 nan 8.290 nan 0.000 0.562 416 I N 1.568 122.096 120.570 -0.070 0.000 2.213 416 I HA 0.417 4.588 4.170 0.002 0.000 0.295 416 I C 0.993 177.073 176.117 -0.061 0.000 1.172 416 I CA 0.474 61.717 61.300 -0.096 0.000 1.443 416 I CB 0.021 37.945 38.000 -0.126 0.000 1.491 416 I HN 0.388 nan 8.210 nan 0.000 0.652 417 R N 3.296 123.774 120.500 -0.037 0.000 2.718 417 R HA 0.252 4.593 4.340 0.002 0.000 0.266 417 R C 0.418 176.722 176.300 0.006 0.000 1.776 417 R CA -0.296 55.804 56.100 0.000 0.000 1.567 417 R CB 0.652 30.954 30.300 0.003 0.000 1.336 417 R HN 0.230 nan 8.270 nan 0.000 0.619 418 E N 0.153 120.389 120.200 0.059 0.000 2.072 418 E HA -0.184 4.167 4.350 0.002 0.000 0.191 418 E C 1.402 178.151 176.600 0.249 0.000 0.985 418 E CA 1.291 57.779 56.400 0.148 0.000 0.801 418 E CB -0.023 29.793 29.700 0.192 0.000 0.750 418 E HN 0.539 nan 8.360 nan 0.000 0.452 419 H N -0.428 118.723 119.070 0.135 0.000 2.353 419 H HA -0.057 4.500 4.556 0.002 0.000 0.300 419 H C 1.991 177.352 175.328 0.055 0.000 1.090 419 H CA 0.917 57.033 56.048 0.114 0.000 1.327 419 H CB 0.117 29.931 29.762 0.087 0.000 1.383 419 H HN 0.240 nan 8.280 nan 0.000 0.508 420 A N 0.959 123.846 122.820 0.111 0.000 1.902 420 A HA -0.221 4.100 4.320 0.002 0.000 0.217 420 A C 2.464 180.006 177.584 -0.071 0.000 1.181 420 A CA 1.629 53.661 52.037 -0.009 0.000 0.623 420 A CB -0.791 18.197 19.000 -0.020 0.000 0.818 420 A HN 0.623 nan 8.150 nan 0.000 0.443 421 M N -0.170 119.306 119.600 -0.206 0.000 2.080 421 M HA -0.117 4.364 4.480 0.002 0.000 0.260 421 M C 2.028 178.081 176.300 -0.411 0.000 1.068 421 M CA 2.117 57.040 55.300 -0.627 0.000 1.109 421 M CB -0.461 31.519 32.600 -1.034 0.000 1.342 421 M HN 0.363 nan 8.290 nan 0.000 0.405 422 G N -0.667 108.105 108.800 -0.048 0.000 2.408 422 G HA2 -0.102 3.859 3.960 0.002 0.000 0.217 422 G HA3 -0.102 3.859 3.960 0.002 0.000 0.217 422 G C 1.469 176.412 174.900 0.072 0.000 1.150 422 G CA 0.846 46.048 45.100 0.171 0.000 0.776 422 G HN 0.643 nan 8.290 nan 0.000 0.542 423 A N 0.614 123.475 122.820 0.068 0.000 1.897 423 A HA 0.171 4.492 4.320 0.002 0.000 0.215 423 A C 2.342 179.885 177.584 -0.067 0.000 1.181 423 A CA 0.980 53.026 52.037 0.016 0.000 0.620 423 A CB -0.262 18.742 19.000 0.008 0.000 0.821 423 A HN 0.345 nan 8.150 nan 0.000 0.443 424 I N -0.620 119.894 120.570 -0.094 0.000 2.394 424 I HA -0.248 3.923 4.170 0.002 0.000 0.251 424 I C 2.616 178.638 176.117 -0.159 0.000 1.136 424 I CA 1.056 62.292 61.300 -0.107 0.000 1.425 424 I CB -0.234 37.749 38.000 -0.028 0.000 1.079 424 I HN 0.324 nan 8.210 nan 0.000 0.425 425 M N 0.100 119.585 119.600 -0.192 0.000 2.159 425 M HA -0.185 4.296 4.480 0.002 0.000 0.263 425 M C 1.895 178.068 176.300 -0.212 0.000 1.063 425 M CA 1.536 56.706 55.300 -0.216 0.000 1.110 425 M CB -0.533 31.897 32.600 -0.284 0.000 1.374 425 M HN 0.263 nan 8.290 nan 0.000 0.411 426 N N 0.474 119.051 118.700 -0.205 0.000 2.244 426 N HA -0.075 4.667 4.740 0.002 0.000 0.183 426 N C 1.742 176.999 175.510 -0.421 0.000 1.016 426 N CA 1.501 54.334 53.050 -0.363 0.000 0.866 426 N CB -0.571 37.792 38.487 -0.207 0.000 0.980 426 N HN 0.427 nan 8.380 nan 0.000 0.430 427 G N 1.232 109.883 108.800 -0.247 0.000 2.394 427 G HA2 -0.118 3.843 3.960 0.002 0.000 0.214 427 G HA3 -0.118 3.843 3.960 0.002 0.000 0.214 427 G C 1.670 176.468 174.900 -0.170 0.000 1.176 427 G CA 0.293 45.280 45.100 -0.188 0.000 0.786 427 G HN 0.234 nan 8.290 nan 0.000 0.533 428 I N 0.894 121.329 120.570 -0.224 0.000 2.127 428 I HA -0.222 3.949 4.170 0.002 0.000 0.241 428 I C 3.018 179.081 176.117 -0.090 0.000 1.075 428 I CA 1.523 62.660 61.300 -0.272 0.000 1.334 428 I CB -0.354 37.426 38.000 -0.366 0.000 1.040 428 I HN 0.282 nan 8.210 nan 0.000 0.405 429 S N 0.543 116.178 115.700 -0.108 0.000 2.368 429 S HA -0.192 4.279 4.470 0.002 0.000 0.225 429 S C 2.210 176.818 174.600 0.012 0.000 1.030 429 S CA 1.446 59.632 58.200 -0.022 0.000 0.999 429 S CB -0.278 62.856 63.200 -0.110 0.000 0.844 429 S HN 0.471 nan 8.310 nan 0.000 0.459 430 A N 0.526 123.248 122.820 -0.165 0.000 1.972 430 A HA -0.017 4.304 4.320 0.002 0.000 0.219 430 A C 1.931 179.604 177.584 0.150 0.000 1.169 430 A CA 1.572 53.588 52.037 -0.034 0.000 0.635 430 A CB -1.087 17.801 19.000 -0.186 0.000 0.810 430 A HN 0.696 nan 8.150 nan 0.000 0.446 431 F N 0.154 120.096 119.950 -0.013 0.000 2.065 431 F HA 0.158 4.686 4.527 0.002 0.000 0.298 431 F C 1.424 177.276 175.800 0.086 0.000 1.112 431 F CA 2.082 60.091 58.000 0.016 0.000 1.212 431 F CB -0.302 38.679 39.000 -0.031 0.000 0.975 431 F HN 0.607 nan 8.300 nan 0.000 0.476 432 G N -1.774 107.228 108.800 0.337 0.000 2.297 432 G HA2 0.361 4.322 3.960 0.002 0.000 0.209 432 G HA3 0.361 4.322 3.960 0.002 0.000 0.209 432 G C 0.283 175.346 174.900 0.271 0.000 1.267 432 G CA 0.125 45.324 45.100 0.165 0.000 1.127 432 G HN 1.352 nan 8.290 nan 0.000 0.498 433 A N -1.057 121.803 122.820 0.066 0.000 2.783 433 A HA -0.001 4.320 4.320 0.002 0.000 0.292 433 A C 1.341 178.840 177.584 -0.143 0.000 1.495 433 A CA 2.126 54.138 52.037 -0.041 0.000 0.787 433 A CB -1.911 17.077 19.000 -0.020 0.000 1.017 433 A HN 2.913 nan 8.150 nan 0.000 0.516 434 N N -3.228 115.451 118.700 -0.035 0.000 2.708 434 N HA -0.228 4.513 4.740 0.002 0.000 0.249 434 N C -0.329 175.157 175.510 -0.040 0.000 1.097 434 N CA 1.526 54.556 53.050 -0.034 0.000 0.710 434 N CB -1.779 36.668 38.487 -0.066 0.000 1.032 434 N HN 0.803 nan 8.380 nan 0.000 0.551 435 Y N 0.488 120.831 120.300 0.072 0.000 2.717 435 Y HA 0.056 4.607 4.550 0.002 0.000 0.330 435 Y C 1.022 176.933 175.900 0.018 0.000 1.217 435 Y CA 0.398 58.526 58.100 0.046 0.000 1.506 435 Y CB 0.650 39.135 38.460 0.041 0.000 1.268 435 Y HN -0.051 nan 8.280 nan 0.000 0.561 436 K N 6.283 126.804 120.400 0.202 0.000 2.682 436 K HA 0.268 4.589 4.320 0.002 0.000 0.189 436 K C -2.864 173.829 176.600 0.154 0.000 1.062 436 K CA -1.744 54.618 56.287 0.124 0.000 0.997 436 K CB 0.698 33.234 32.500 0.059 0.000 1.405 436 K HN 0.399 nan 8.250 nan 0.000 0.588 437 P HA 0.136 nan 4.420 nan 0.000 0.278 437 P C -0.871 176.464 177.300 0.058 0.000 1.238 437 P CA -0.199 62.911 63.100 0.017 0.000 0.794 437 P CB 0.558 32.201 31.700 -0.095 0.000 0.955 438 Y N -0.832 119.434 120.300 -0.056 0.000 2.588 438 Y HA 0.837 5.388 4.550 0.002 0.000 0.343 438 Y C -0.920 174.881 175.900 -0.166 0.000 1.065 438 Y CA -1.251 56.785 58.100 -0.107 0.000 1.038 438 Y CB 1.274 39.753 38.460 0.032 0.000 1.297 438 Y HN 0.648 nan 8.280 nan 0.000 0.467 439 G N -0.176 108.528 108.800 -0.160 0.000 2.746 439 G HA2 0.560 4.521 3.960 0.002 0.000 0.297 439 G HA3 0.560 4.521 3.960 0.002 0.000 0.297 439 G C -1.468 173.358 174.900 -0.123 0.000 1.426 439 G CA -0.523 44.397 45.100 -0.299 0.000 0.989 439 G HN 1.127 nan 8.290 nan 0.000 0.520 440 G N -0.981 107.831 108.800 0.020 0.000 2.453 440 G HA2 0.800 4.761 3.960 0.002 0.000 0.323 440 G HA3 0.800 4.761 3.960 0.002 0.000 0.323 440 G C -0.764 174.200 174.900 0.107 0.000 1.198 440 G CA -0.180 45.006 45.100 0.143 0.000 0.959 440 G HN 0.989 nan 8.290 nan 0.000 0.482 441 T N -0.671 113.995 114.554 0.186 0.000 2.700 441 T HA 0.484 4.835 4.350 0.002 0.000 0.307 441 T C -1.438 173.406 174.700 0.240 0.000 1.580 441 T CA -0.613 61.553 62.100 0.109 0.000 0.992 441 T CB 0.612 69.595 68.868 0.192 0.000 1.577 441 T HN 0.231 nan 8.240 nan 0.000 0.496 442 F N 2.735 122.783 119.950 0.164 0.000 2.471 442 F HA 0.307 4.835 4.527 0.002 0.000 0.353 442 F C 1.537 177.355 175.800 0.030 0.000 1.113 442 F CA -1.209 56.845 58.000 0.089 0.000 1.262 442 F CB 0.289 39.311 39.000 0.037 0.000 1.146 442 F HN 0.520 nan 8.300 nan 0.000 0.578 443 L N 2.990 124.340 121.223 0.212 0.000 2.021 443 L HA -0.311 4.030 4.340 0.002 0.000 0.215 443 L C 2.062 178.915 176.870 -0.029 0.000 1.074 443 L CA 2.025 56.908 54.840 0.070 0.000 0.760 443 L CB -1.112 40.974 42.059 0.044 0.000 0.889 443 L HN 0.718 nan 8.230 nan 0.000 0.433 444 N N -0.865 117.730 118.700 -0.174 0.000 2.192 444 N HA -0.229 4.512 4.740 0.002 0.000 0.188 444 N C 1.357 176.649 175.510 -0.364 0.000 1.013 444 N CA 1.714 54.543 53.050 -0.368 0.000 0.863 444 N CB -0.291 37.777 38.487 -0.699 0.000 0.990 444 N HN 0.475 nan 8.380 nan 0.000 0.430 445 F N -0.893 119.089 119.950 0.053 0.000 2.765 445 F HA 0.230 4.758 4.527 0.002 0.000 0.302 445 F C 1.819 177.632 175.800 0.022 0.000 1.111 445 F CA -0.186 57.803 58.000 -0.018 0.000 1.359 445 F CB -0.283 38.569 39.000 -0.247 0.000 1.097 445 F HN -0.133 nan 8.300 nan 0.000 0.577 446 V N -1.010 118.941 119.914 0.061 0.000 2.759 446 V HA -0.225 3.896 4.120 0.002 0.000 0.256 446 V C 2.179 178.240 176.094 -0.056 0.000 1.080 446 V CA 1.889 64.057 62.300 -0.220 0.000 1.101 446 V CB -0.776 30.757 31.823 -0.483 0.000 0.698 446 V HN 0.314 nan 8.190 nan 0.000 0.477 447 S N -1.046 114.746 115.700 0.153 0.000 2.382 447 S HA -0.197 4.274 4.470 0.002 0.000 0.228 447 S C 1.833 176.532 174.600 0.166 0.000 1.027 447 S CA 1.330 59.651 58.200 0.202 0.000 0.991 447 S CB -0.432 62.879 63.200 0.185 0.000 0.823 447 S HN 0.608 nan 8.310 nan 0.000 0.469 448 Y N 1.321 121.649 120.300 0.047 0.000 2.384 448 Y HA -0.015 4.536 4.550 0.002 0.000 0.289 448 Y C 2.156 177.990 175.900 -0.109 0.000 1.152 448 Y CA 0.489 58.602 58.100 0.022 0.000 1.258 448 Y CB -0.287 38.226 38.460 0.088 0.000 0.979 448 Y HN 0.296 nan 8.280 nan 0.000 0.549 449 A N -1.313 121.499 122.820 -0.014 0.000 2.465 449 A HA 0.506 4.827 4.320 0.002 0.000 0.255 449 A C 2.146 179.531 177.584 -0.331 0.000 1.274 449 A CA 0.522 52.419 52.037 -0.234 0.000 0.920 449 A CB -0.720 18.284 19.000 0.007 0.000 1.033 449 A HN 0.260 nan 8.150 nan 0.000 0.516 450 A N 0.224 122.936 122.820 -0.179 0.000 1.971 450 A HA -0.106 4.215 4.320 0.002 0.000 0.222 450 A C 2.312 179.858 177.584 -0.063 0.000 1.182 450 A CA 2.258 54.282 52.037 -0.021 0.000 0.649 450 A CB -1.250 17.786 19.000 0.060 0.000 0.818 450 A HN 0.878 nan 8.150 nan 0.000 0.458 451 G N -1.035 107.635 108.800 -0.217 0.000 2.442 451 G HA2 -0.017 3.944 3.960 0.002 0.000 0.219 451 G HA3 -0.017 3.944 3.960 0.002 0.000 0.219 451 G C 1.681 176.699 174.900 0.195 0.000 1.141 451 G CA 1.539 46.665 45.100 0.045 0.000 0.763 451 G HN 0.901 nan 8.290 nan 0.000 0.554 452 A N -0.063 122.892 122.820 0.224 0.000 1.898 452 A HA 0.236 4.557 4.320 0.002 0.000 0.214 452 A C 2.584 180.267 177.584 0.165 0.000 1.183 452 A CA 1.455 53.644 52.037 0.253 0.000 0.622 452 A CB -0.509 18.702 19.000 0.351 0.000 0.824 452 A HN 0.215 nan 8.150 nan 0.000 0.444 453 V N 0.447 120.423 119.914 0.104 0.000 2.287 453 V HA -0.315 3.806 4.120 0.002 0.000 0.248 453 V C 2.638 178.780 176.094 0.080 0.000 1.053 453 V CA 2.450 64.781 62.300 0.053 0.000 1.027 453 V CB -0.884 30.860 31.823 -0.131 0.000 0.646 453 V HN 0.676 nan 8.190 nan 0.000 0.447 454 R N -0.226 120.331 120.500 0.095 0.000 2.103 454 R HA -0.188 4.153 4.340 0.002 0.000 0.242 454 R C 2.222 178.563 176.300 0.068 0.000 1.142 454 R CA 1.841 57.991 56.100 0.084 0.000 0.960 454 R CB -0.317 30.027 30.300 0.074 0.000 0.858 454 R HN 0.478 nan 8.270 nan 0.000 0.439 455 L N 0.088 121.358 121.223 0.078 0.000 2.217 455 L HA -0.074 4.267 4.340 0.002 0.000 0.211 455 L C 2.268 179.171 176.870 0.055 0.000 1.107 455 L CA 0.854 55.733 54.840 0.064 0.000 0.783 455 L CB -0.128 41.981 42.059 0.083 0.000 0.919 455 L HN 0.233 nan 8.230 nan 0.000 0.442 456 S N 0.245 116.007 115.700 0.102 0.000 2.383 456 S HA -0.123 4.348 4.470 0.002 0.000 0.227 456 S C 2.174 176.795 174.600 0.034 0.000 1.026 456 S CA 1.142 59.418 58.200 0.126 0.000 0.981 456 S CB -0.155 63.141 63.200 0.160 0.000 0.818 456 S HN 0.505 nan 8.310 nan 0.000 0.472 457 A N 1.557 124.395 122.820 0.031 0.000 1.843 457 A HA 0.112 4.433 4.320 0.002 0.000 0.213 457 A C 2.121 179.713 177.584 0.013 0.000 1.202 457 A CA 1.045 53.094 52.037 0.019 0.000 0.607 457 A CB -0.890 18.129 19.000 0.031 0.000 0.847 457 A HN 0.375 nan 8.150 nan 0.000 0.445 458 L N 0.180 121.413 121.223 0.015 0.000 1.990 458 L HA -0.183 4.158 4.340 0.002 0.000 0.213 458 L C 2.526 179.391 176.870 -0.009 0.000 1.072 458 L CA 2.723 57.573 54.840 0.017 0.000 0.755 458 L CB -0.415 41.660 42.059 0.027 0.000 0.889 458 L HN 0.303 nan 8.230 nan 0.000 0.432 459 S N -0.544 115.098 115.700 -0.098 0.000 2.428 459 S HA 0.162 4.633 4.470 0.002 0.000 0.230 459 S C 1.139 175.625 174.600 -0.190 0.000 1.014 459 S CA 0.739 58.809 58.200 -0.217 0.000 0.957 459 S CB -0.375 62.409 63.200 -0.692 0.000 0.784 459 S HN 0.826 nan 8.310 nan 0.000 0.499 460 G N 2.283 110.984 108.800 -0.165 0.000 2.452 460 G HA2 -0.160 3.801 3.960 0.002 0.000 0.275 460 G HA3 -0.160 3.801 3.960 0.002 0.000 0.275 460 G C -0.611 174.303 174.900 0.022 0.000 1.131 460 G CA -0.556 44.553 45.100 0.014 0.000 1.031 460 G HN 0.496 nan 8.290 nan 0.000 0.511 461 H N 0.276 119.368 119.070 0.036 0.000 2.541 461 H HA 0.342 4.899 4.556 0.002 0.000 0.316 461 H C -2.025 173.319 175.328 0.026 0.000 1.043 461 H CA -2.139 53.904 56.048 -0.008 0.000 1.232 461 H CB 2.066 31.765 29.762 -0.106 0.000 1.406 461 H HN 0.166 nan 8.280 nan 0.000 0.469 462 P HA -0.044 nan 4.420 nan 0.000 0.238 462 P C 0.376 177.716 177.300 0.067 0.000 1.714 462 P CA -0.100 63.052 63.100 0.088 0.000 0.908 462 P CB -0.485 31.251 31.700 0.058 0.000 1.893 463 V N -1.315 118.643 119.914 0.073 0.000 3.003 463 V HA 0.399 4.520 4.120 0.002 0.000 0.305 463 V C 0.232 176.350 176.094 0.040 0.000 1.078 463 V CA -0.580 61.737 62.300 0.028 0.000 1.083 463 V CB 0.800 32.620 31.823 -0.005 0.000 1.039 463 V HN -0.023 nan 8.190 nan 0.000 0.481 464 I N 1.888 122.452 120.570 -0.010 0.000 2.466 464 I HA 0.410 4.581 4.170 0.002 0.000 0.289 464 I C -1.191 174.889 176.117 -0.062 0.000 1.026 464 I CA -0.139 61.173 61.300 0.020 0.000 1.078 464 I CB 1.838 39.849 38.000 0.019 0.000 1.249 464 I HN 0.667 nan 8.210 nan 0.000 0.429 465 W N 5.562 126.851 121.300 -0.018 0.000 2.349 465 W HA 0.475 5.136 4.660 0.002 0.000 0.309 465 W C -0.288 176.242 176.519 0.018 0.000 1.083 465 W CA -0.611 56.728 57.345 -0.010 0.000 1.224 465 W CB 1.503 30.904 29.460 -0.098 0.000 1.256 465 W HN 0.081 nan 8.180 nan 0.000 0.461 466 V N 4.894 124.963 119.914 0.257 0.000 2.221 466 V HA 0.343 4.464 4.120 0.002 0.000 0.258 466 V C 0.513 176.768 176.094 0.270 0.000 1.179 466 V CA -0.835 61.603 62.300 0.230 0.000 1.022 466 V CB -0.666 31.312 31.823 0.258 0.000 1.228 466 V HN 0.592 nan 8.190 nan 0.000 0.487 467 A N 3.912 126.882 122.820 0.250 0.000 2.350 467 A HA 0.612 4.933 4.320 0.002 0.000 0.293 467 A C 0.787 178.516 177.584 0.241 0.000 1.231 467 A CA 0.013 52.196 52.037 0.242 0.000 0.883 467 A CB 0.124 19.212 19.000 0.148 0.000 1.133 467 A HN 0.756 nan 8.150 nan 0.000 0.533 468 T N -0.322 114.435 114.554 0.338 0.000 2.922 468 T HA 0.521 4.872 4.350 0.002 0.000 0.281 468 T C 0.035 174.980 174.700 0.407 0.000 1.005 468 T CA -0.296 62.029 62.100 0.375 0.000 0.982 468 T CB 0.195 69.369 68.868 0.510 0.000 1.158 468 T HN 0.847 nan 8.240 nan 0.000 0.566 469 H N 0.549 119.654 119.070 0.058 0.000 2.680 469 H HA -0.081 4.476 4.556 0.002 0.000 0.328 469 H C 0.530 175.810 175.328 -0.079 0.000 1.139 469 H CA 0.875 56.864 56.048 -0.099 0.000 1.124 469 H CB -1.655 27.843 29.762 -0.440 0.000 1.584 469 H HN 0.814 nan 8.280 nan 0.000 0.410 470 D N -0.775 119.643 120.400 0.029 0.000 2.352 470 D HA 0.023 4.664 4.640 0.002 0.000 0.232 470 D C 0.751 177.032 176.300 -0.033 0.000 1.055 470 D CA 0.861 54.868 54.000 0.011 0.000 0.891 470 D CB 0.257 41.072 40.800 0.026 0.000 0.897 470 D HN 0.557 nan 8.370 nan 0.000 0.529 471 S N -0.938 114.730 115.700 -0.054 0.000 2.655 471 S HA 0.141 4.612 4.470 0.002 0.000 0.273 471 S C 1.027 175.554 174.600 -0.121 0.000 1.177 471 S CA -0.362 57.777 58.200 -0.102 0.000 0.918 471 S CB -0.503 62.629 63.200 -0.113 0.000 1.217 471 S HN 0.052 nan 8.310 nan 0.000 0.492 472 I N -0.175 120.262 120.570 -0.223 0.000 2.800 472 I HA 0.184 4.355 4.170 0.002 0.000 0.266 472 I C 1.939 177.954 176.117 -0.170 0.000 1.249 472 I CA 1.493 62.648 61.300 -0.243 0.000 1.458 472 I CB -1.209 36.534 38.000 -0.429 0.000 1.093 472 I HN 0.738 nan 8.210 nan 0.000 0.466 473 G N 1.337 110.100 108.800 -0.061 0.000 2.498 473 G HA2 -0.124 3.837 3.960 0.002 0.000 0.219 473 G HA3 -0.124 3.837 3.960 0.002 0.000 0.219 473 G C 1.564 176.500 174.900 0.061 0.000 1.119 473 G CA 0.816 46.031 45.100 0.191 0.000 0.766 473 G HN 0.373 nan 8.290 nan 0.000 0.552 474 V N 0.616 120.522 119.914 -0.012 0.000 2.407 474 V HA 0.138 4.259 4.120 0.002 0.000 0.248 474 V C 2.274 178.378 176.094 0.016 0.000 1.055 474 V CA 1.862 64.153 62.300 -0.015 0.000 1.049 474 V CB -1.026 30.788 31.823 -0.017 0.000 0.662 474 V HN 0.897 nan 8.190 nan 0.000 0.455 475 G N -0.224 108.588 108.800 0.019 0.000 2.603 475 G HA2 -0.320 3.641 3.960 0.002 0.000 0.245 475 G HA3 -0.320 3.641 3.960 0.002 0.000 0.245 475 G C 0.486 175.393 174.900 0.013 0.000 1.195 475 G CA 0.306 45.423 45.100 0.030 0.000 0.953 475 G HN 0.333 nan 8.290 nan 0.000 0.566 476 E N 0.954 121.158 120.200 0.007 0.000 2.209 476 E HA 0.023 4.374 4.350 0.002 0.000 0.196 476 E C 1.874 178.452 176.600 -0.037 0.000 0.993 476 E CA 1.262 57.656 56.400 -0.011 0.000 0.819 476 E CB -0.147 29.549 29.700 -0.006 0.000 0.745 476 E HN 0.443 nan 8.360 nan 0.000 0.477 477 D N -0.147 120.220 120.400 -0.055 0.000 2.221 477 D HA -0.039 4.602 4.640 0.002 0.000 0.204 477 D C 1.105 177.326 176.300 -0.132 0.000 0.982 477 D CA 1.385 55.294 54.000 -0.150 0.000 0.857 477 D CB -0.268 40.413 40.800 -0.198 0.000 0.934 477 D HN 0.252 nan 8.370 nan 0.000 0.475 478 G N -0.151 108.627 108.800 -0.038 0.000 2.660 478 G HA2 -0.208 3.753 3.960 0.002 0.000 0.215 478 G HA3 -0.208 3.753 3.960 0.002 0.000 0.215 478 G C -1.849 173.089 174.900 0.063 0.000 1.345 478 G CA -0.073 45.032 45.100 0.008 0.000 0.877 478 G HN 0.012 nan 8.290 nan 0.000 0.549 479 P HA -0.118 nan 4.420 nan 0.000 0.218 479 P C 1.910 179.285 177.300 0.124 0.000 1.148 479 P CA 2.989 66.157 63.100 0.113 0.000 0.822 479 P CB -0.468 31.294 31.700 0.104 0.000 0.784 480 T N -4.754 109.901 114.554 0.169 0.000 3.051 480 T HA -0.107 4.244 4.350 0.002 0.000 0.269 480 T C 1.126 176.031 174.700 0.343 0.000 1.127 480 T CA 1.165 63.418 62.100 0.255 0.000 1.107 480 T CB -0.984 68.090 68.868 0.342 0.000 0.898 480 T HN 0.198 nan 8.240 nan 0.000 0.517 481 H N 0.339 119.430 119.070 0.035 0.000 2.893 481 H HA 0.417 4.974 4.556 0.002 0.000 0.270 481 H C 0.070 175.320 175.328 -0.130 0.000 1.095 481 H CA -0.528 55.491 56.048 -0.048 0.000 1.186 481 H CB 0.369 30.144 29.762 0.022 0.000 1.562 481 H HN 0.488 nan 8.280 nan 0.000 0.536 482 Q N 1.559 121.379 119.800 0.033 0.000 2.325 482 Q HA 0.341 4.682 4.340 0.002 0.000 0.262 482 Q C -2.613 173.366 176.000 -0.035 0.000 0.968 482 Q CA -2.185 53.604 55.803 -0.024 0.000 0.877 482 Q CB 2.033 30.763 28.738 -0.012 0.000 1.253 482 Q HN 0.091 nan 8.270 nan 0.000 0.448 483 P HA 0.136 nan 4.420 nan 0.000 0.275 483 P C -0.245 177.013 177.300 -0.070 0.000 1.228 483 P CA -0.124 62.939 63.100 -0.061 0.000 0.786 483 P CB 1.002 32.663 31.700 -0.065 0.000 0.927 484 I N 1.024 121.555 120.570 -0.064 0.000 4.317 484 I HA 0.007 4.178 4.170 0.002 0.000 0.289 484 I C 1.756 177.815 176.117 -0.096 0.000 1.164 484 I CA 0.673 61.904 61.300 -0.116 0.000 1.312 484 I CB -0.513 37.378 38.000 -0.181 0.000 1.569 484 I HN 0.391 nan 8.210 nan 0.000 0.450 485 E N 1.285 121.440 120.200 -0.075 0.000 2.364 485 E HA -0.007 4.344 4.350 0.002 0.000 0.196 485 E C 1.442 178.026 176.600 -0.026 0.000 0.990 485 E CA 1.091 57.454 56.400 -0.063 0.000 0.886 485 E CB -0.471 29.182 29.700 -0.077 0.000 0.866 485 E HN 0.291 nan 8.360 nan 0.000 0.493 486 T N 3.560 118.115 114.554 0.001 0.000 2.531 486 T HA -0.249 4.102 4.350 0.002 0.000 0.261 486 T C 2.119 176.856 174.700 0.062 0.000 1.141 486 T CA 2.558 64.692 62.100 0.056 0.000 1.176 486 T CB -0.717 68.197 68.868 0.076 0.000 0.863 486 T HN 0.142 nan 8.240 nan 0.000 0.424 487 L N 1.153 122.391 121.223 0.025 0.000 2.012 487 L HA -0.110 4.231 4.340 0.002 0.000 0.210 487 L C 3.225 180.037 176.870 -0.097 0.000 1.073 487 L CA 1.430 56.254 54.840 -0.027 0.000 0.748 487 L CB -1.058 40.945 42.059 -0.094 0.000 0.891 487 L HN 0.336 nan 8.230 nan 0.000 0.431 488 A N -0.695 122.071 122.820 -0.089 0.000 1.978 488 A HA -0.286 4.035 4.320 0.002 0.000 0.220 488 A C 2.221 179.765 177.584 -0.066 0.000 1.170 488 A CA 1.942 53.919 52.037 -0.098 0.000 0.636 488 A CB -1.026 17.940 19.000 -0.056 0.000 0.810 488 A HN 0.628 nan 8.150 nan 0.000 0.448 489 H N -2.165 116.779 119.070 -0.210 0.000 2.276 489 H HA -0.124 4.433 4.556 0.002 0.000 0.301 489 H C 1.660 176.771 175.328 -0.362 0.000 1.073 489 H CA 1.668 57.513 56.048 -0.339 0.000 1.311 489 H CB -0.205 29.245 29.762 -0.520 0.000 1.379 489 H HN 0.437 nan 8.280 nan 0.000 0.494 490 F N 1.036 120.804 119.950 -0.303 0.000 2.546 490 F HA 0.031 4.559 4.527 0.002 0.000 0.298 490 F C 2.331 178.004 175.800 -0.212 0.000 1.120 490 F CA 0.735 58.512 58.000 -0.371 0.000 1.456 490 F CB -0.073 38.688 39.000 -0.399 0.000 1.088 490 F HN 0.146 nan 8.300 nan 0.000 0.572 491 R N -1.198 119.264 120.500 -0.064 0.000 2.297 491 R HA 0.100 4.441 4.340 0.002 0.000 0.197 491 R C 1.449 177.739 176.300 -0.016 0.000 0.943 491 R CA 0.610 56.658 56.100 -0.088 0.000 1.038 491 R CB -0.128 30.000 30.300 -0.287 0.000 0.957 491 R HN 0.084 nan 8.270 nan 0.000 0.484 492 S N 0.542 116.232 115.700 -0.017 0.000 2.540 492 S HA 0.093 4.564 4.470 0.002 0.000 0.218 492 S C 0.128 174.743 174.600 0.025 0.000 0.977 492 S CA -0.330 57.873 58.200 0.004 0.000 0.918 492 S CB 0.249 63.446 63.200 -0.005 0.000 0.806 492 S HN 0.072 nan 8.310 nan 0.000 0.496 493 L N 3.520 124.762 121.223 0.031 0.000 2.289 493 L HA 0.523 4.864 4.340 0.002 0.000 0.285 493 L C -2.905 174.009 176.870 0.073 0.000 1.049 493 L CA -2.175 52.694 54.840 0.049 0.000 0.804 493 L CB 0.306 42.395 42.059 0.051 0.000 1.195 493 L HN -0.169 nan 8.230 nan 0.000 0.428 494 P HA 0.269 nan 4.420 nan 0.000 0.275 494 P C -0.958 176.410 177.300 0.114 0.000 1.227 494 P CA 0.028 63.193 63.100 0.108 0.000 0.781 494 P CB 0.456 32.208 31.700 0.088 0.000 0.906 495 N N 1.493 120.306 118.700 0.187 0.000 2.688 495 N HA -0.177 4.564 4.740 0.002 0.000 0.261 495 N C -1.298 174.157 175.510 -0.091 0.000 1.116 495 N CA 0.657 53.780 53.050 0.122 0.000 0.689 495 N CB -1.456 37.096 38.487 0.107 0.000 0.882 495 N HN 0.511 nan 8.380 nan 0.000 0.554 496 I N 0.583 120.992 120.570 -0.268 0.000 2.741 496 I HA 0.155 4.326 4.170 0.002 0.000 0.288 496 I C -1.069 174.809 176.117 -0.399 0.000 1.482 496 I CA -0.529 60.594 61.300 -0.294 0.000 1.050 496 I CB 1.273 39.207 38.000 -0.110 0.000 1.388 496 I HN 0.204 nan 8.210 nan 0.000 0.428 497 Q N 5.626 125.183 119.800 -0.404 0.000 2.243 497 Q HA 0.544 4.885 4.340 0.002 0.000 0.252 497 Q C -1.041 174.871 176.000 -0.147 0.000 0.909 497 Q CA -0.671 54.965 55.803 -0.278 0.000 0.922 497 Q CB 2.495 31.174 28.738 -0.098 0.000 1.215 497 Q HN 0.451 nan 8.270 nan 0.000 0.427 498 V N 2.930 122.730 119.914 -0.191 0.000 2.266 498 V HA 0.198 4.319 4.120 0.002 0.000 0.266 498 V C -0.956 175.053 176.094 -0.141 0.000 1.036 498 V CA -0.809 61.408 62.300 -0.138 0.000 0.828 498 V CB -0.382 31.345 31.823 -0.161 0.000 1.081 498 V HN 0.691 nan 8.190 nan 0.000 0.449 499 W N 2.692 123.988 121.300 -0.006 0.000 2.170 499 W HA 0.509 5.170 4.660 0.002 0.000 0.336 499 W C 1.059 177.591 176.519 0.020 0.000 1.283 499 W CA -0.340 57.022 57.345 0.029 0.000 1.224 499 W CB 0.600 30.071 29.460 0.017 0.000 1.132 499 W HN 0.266 nan 8.180 nan 0.000 0.571 500 R N 3.695 124.368 120.500 0.287 0.000 2.627 500 R HA 0.147 4.488 4.340 0.002 0.000 0.251 500 R C -2.638 173.790 176.300 0.214 0.000 1.524 500 R CA -1.431 54.780 56.100 0.186 0.000 1.606 500 R CB 0.463 30.827 30.300 0.106 0.000 1.396 500 R HN 0.150 nan 8.270 nan 0.000 0.724 501 P HA -0.033 nan 4.420 nan 0.000 0.261 501 P C 0.420 177.803 177.300 0.139 0.000 1.183 501 P CA 0.426 63.660 63.100 0.224 0.000 0.761 501 P CB 1.474 33.286 31.700 0.187 0.000 0.785 502 A N 3.661 126.560 122.820 0.131 0.000 2.016 502 A HA -0.030 4.291 4.320 0.002 0.000 0.217 502 A C 0.823 178.432 177.584 0.041 0.000 1.162 502 A CA 1.519 53.600 52.037 0.074 0.000 0.662 502 A CB -0.455 18.586 19.000 0.069 0.000 0.812 502 A HN 0.703 nan 8.150 nan 0.000 0.450 503 D N -5.165 115.264 120.400 0.048 0.000 2.825 503 D HA 0.386 5.027 4.640 0.002 0.000 0.327 503 D C 1.143 177.412 176.300 -0.052 0.000 1.277 503 D CA 0.140 54.129 54.000 -0.019 0.000 0.950 503 D CB 0.107 40.898 40.800 -0.015 0.000 1.438 503 D HN -0.017 nan 8.370 nan 0.000 0.526 504 G N -0.007 108.668 108.800 -0.209 0.000 2.553 504 G HA2 -0.341 3.620 3.960 0.002 0.000 0.218 504 G HA3 -0.341 3.620 3.960 0.002 0.000 0.218 504 G C 1.140 176.083 174.900 0.071 0.000 1.195 504 G CA 1.214 46.120 45.100 -0.323 0.000 0.779 504 G HN 0.545 nan 8.290 nan 0.000 0.577 505 N N 0.931 119.717 118.700 0.144 0.000 2.104 505 N HA -0.086 4.655 4.740 0.002 0.000 0.190 505 N C 2.138 177.703 175.510 0.092 0.000 1.024 505 N CA 1.302 54.438 53.050 0.144 0.000 0.853 505 N CB -0.363 38.198 38.487 0.123 0.000 1.008 505 N HN 0.560 nan 8.380 nan 0.000 0.424 506 E N 0.322 120.586 120.200 0.108 0.000 2.204 506 E HA -0.054 4.297 4.350 0.002 0.000 0.194 506 E C 1.887 178.529 176.600 0.069 0.000 0.989 506 E CA 0.450 56.928 56.400 0.130 0.000 0.824 506 E CB 0.150 29.977 29.700 0.211 0.000 0.756 506 E HN 0.118 nan 8.360 nan 0.000 0.477 507 V N 0.802 120.762 119.914 0.076 0.000 2.427 507 V HA -0.201 3.920 4.120 0.002 0.000 0.248 507 V C 2.221 178.383 176.094 0.113 0.000 1.051 507 V CA 1.600 63.960 62.300 0.101 0.000 1.048 507 V CB -0.206 31.687 31.823 0.116 0.000 0.666 507 V HN 0.180 nan 8.190 nan 0.000 0.456 508 S N 0.279 116.025 115.700 0.078 0.000 2.371 508 S HA -0.086 4.385 4.470 0.002 0.000 0.224 508 S C 2.243 176.824 174.600 -0.032 0.000 1.029 508 S CA 1.282 59.513 58.200 0.052 0.000 0.978 508 S CB -0.403 62.814 63.200 0.029 0.000 0.833 508 S HN 0.629 nan 8.310 nan 0.000 0.466 509 A N 1.549 124.310 122.820 -0.100 0.000 1.933 509 A HA 0.086 4.407 4.320 0.002 0.000 0.218 509 A C 2.305 179.539 177.584 -0.583 0.000 1.175 509 A CA 1.696 53.604 52.037 -0.214 0.000 0.628 509 A CB -0.965 17.962 19.000 -0.123 0.000 0.814 509 A HN 0.504 nan 8.150 nan 0.000 0.444 510 A N -1.503 120.886 122.820 -0.720 0.000 1.873 510 A HA -0.066 4.255 4.320 0.002 0.000 0.215 510 A C 2.097 179.227 177.584 -0.756 0.000 1.186 510 A CA 1.523 52.804 52.037 -1.259 0.000 0.616 510 A CB -0.766 17.830 19.000 -0.674 0.000 0.823 510 A HN 0.569 nan 8.150 nan 0.000 0.442 511 Y N -0.070 120.040 120.300 -0.316 0.000 2.263 511 Y HA -0.121 4.430 4.550 0.002 0.000 0.292 511 Y C 2.428 178.345 175.900 0.028 0.000 1.130 511 Y CA 1.821 59.851 58.100 -0.118 0.000 1.179 511 Y CB -0.054 38.388 38.460 -0.031 0.000 0.998 511 Y HN 0.314 nan 8.280 nan 0.000 0.532 512 K N 0.456 120.958 120.400 0.170 0.000 1.973 512 K HA -0.230 4.091 4.320 0.002 0.000 0.212 512 K C 1.694 178.427 176.600 0.221 0.000 1.047 512 K CA 2.054 58.521 56.287 0.301 0.000 0.937 512 K CB -0.255 32.283 32.500 0.064 0.000 0.721 512 K HN 0.205 nan 8.250 nan 0.000 0.440 513 N N 0.492 119.223 118.700 0.051 0.000 2.094 513 N HA -0.136 4.605 4.740 0.002 0.000 0.191 513 N C 1.812 177.390 175.510 0.112 0.000 1.023 513 N CA 1.674 54.799 53.050 0.124 0.000 0.857 513 N CB -0.394 38.226 38.487 0.221 0.000 1.013 513 N HN 0.139 nan 8.380 nan 0.000 0.426 514 S N 0.341 116.032 115.700 -0.015 0.000 2.348 514 S HA 0.016 4.487 4.470 0.002 0.000 0.221 514 S C 1.941 176.540 174.600 -0.002 0.000 1.033 514 S CA 0.714 58.903 58.200 -0.019 0.000 1.010 514 S CB -0.300 62.791 63.200 -0.182 0.000 0.891 514 S HN 0.238 nan 8.310 nan 0.000 0.442 515 L N 1.095 122.318 121.223 0.001 0.000 2.201 515 L HA -0.043 4.298 4.340 0.002 0.000 0.212 515 L C 2.217 179.021 176.870 -0.110 0.000 1.105 515 L CA 1.056 55.840 54.840 -0.093 0.000 0.775 515 L CB -0.368 41.542 42.059 -0.247 0.000 0.913 515 L HN 0.338 nan 8.230 nan 0.000 0.440 516 E N -1.041 119.178 120.200 0.031 0.000 2.435 516 E HA -0.029 4.322 4.350 0.002 0.000 0.195 516 E C 0.832 177.460 176.600 0.046 0.000 1.029 516 E CA -0.151 56.289 56.400 0.067 0.000 0.865 516 E CB 0.297 30.118 29.700 0.203 0.000 0.833 516 E HN 0.149 nan 8.360 nan 0.000 0.510 517 S N 0.690 116.417 115.700 0.046 0.000 2.531 517 S HA 0.059 4.530 4.470 0.002 0.000 0.279 517 S C 0.747 175.330 174.600 -0.028 0.000 1.305 517 S CA -0.006 58.218 58.200 0.041 0.000 1.058 517 S CB 0.650 63.889 63.200 0.065 0.000 0.899 517 S HN 0.070 nan 8.310 nan 0.000 0.493 518 K N 2.187 122.519 120.400 -0.113 0.000 2.355 518 K HA 0.176 4.497 4.320 0.002 0.000 0.198 518 K C 0.093 176.441 176.600 -0.420 0.000 1.039 518 K CA 0.041 56.146 56.287 -0.303 0.000 1.075 518 K CB 0.271 32.485 32.500 -0.477 0.000 0.870 518 K HN 0.667 nan 8.250 nan 0.000 0.540 519 H N -1.202 117.933 119.070 0.109 0.000 3.480 519 H HA 0.174 4.731 4.556 0.002 0.000 0.257 519 H C -0.514 174.857 175.328 0.070 0.000 1.196 519 H CA -0.044 56.070 56.048 0.109 0.000 1.100 519 H CB 1.279 31.110 29.762 0.116 0.000 1.683 519 H HN -0.141 nan 8.280 nan 0.000 0.702 520 T N 4.604 119.229 114.554 0.117 0.000 2.879 520 T HA 0.321 4.672 4.350 0.002 0.000 0.290 520 T C -2.617 172.068 174.700 -0.025 0.000 0.993 520 T CA -1.255 60.838 62.100 -0.011 0.000 0.975 520 T CB 3.276 72.033 68.868 -0.185 0.000 0.981 520 T HN -0.031 nan 8.240 nan 0.000 0.439 521 P HA 0.470 nan 4.420 nan 0.000 0.279 521 P C -0.557 176.733 177.300 -0.017 0.000 1.282 521 P CA -0.502 62.610 63.100 0.019 0.000 0.788 521 P CB 0.993 32.724 31.700 0.053 0.000 1.139 522 S N -1.016 114.712 115.700 0.047 0.000 2.588 522 S HA 0.697 5.168 4.470 0.002 0.000 0.275 522 S C -1.356 173.295 174.600 0.085 0.000 1.130 522 S CA -0.774 57.459 58.200 0.056 0.000 0.855 522 S CB 0.613 63.869 63.200 0.092 0.000 1.116 522 S HN 0.270 nan 8.310 nan 0.000 0.472 523 I N 3.229 123.828 120.570 0.049 0.000 2.500 523 I HA 0.448 4.619 4.170 0.002 0.000 0.286 523 I C -1.146 175.023 176.117 0.087 0.000 1.063 523 I CA -0.450 60.861 61.300 0.018 0.000 1.062 523 I CB 1.783 39.663 38.000 -0.200 0.000 1.223 523 I HN 0.532 nan 8.210 nan 0.000 0.435 524 I N 5.834 126.461 120.570 0.096 0.000 2.359 524 I HA 0.431 4.602 4.170 0.002 0.000 0.284 524 I C 0.479 176.665 176.117 0.115 0.000 1.018 524 I CA -0.510 60.855 61.300 0.110 0.000 1.173 524 I CB 1.629 39.614 38.000 -0.025 0.000 1.326 524 I HN 0.580 nan 8.210 nan 0.000 0.462 525 A N 8.455 131.345 122.820 0.116 0.000 2.350 525 A HA 0.673 4.994 4.320 0.002 0.000 0.293 525 A C -0.316 177.333 177.584 0.108 0.000 1.231 525 A CA -0.159 51.937 52.037 0.097 0.000 0.883 525 A CB 0.064 19.102 19.000 0.064 0.000 1.133 525 A HN 0.710 nan 8.150 nan 0.000 0.533 526 L N 2.387 123.679 121.223 0.115 0.000 2.334 526 L HA 0.563 4.904 4.340 0.002 0.000 0.272 526 L C 0.845 177.752 176.870 0.062 0.000 1.020 526 L CA -0.685 54.217 54.840 0.102 0.000 0.812 526 L CB 2.054 44.193 42.059 0.133 0.000 1.264 526 L HN 0.758 nan 8.230 nan 0.000 0.439 527 S N 0.587 116.303 115.700 0.028 0.000 2.610 527 S HA 0.341 4.812 4.470 0.002 0.000 0.273 527 S C 0.686 175.235 174.600 -0.085 0.000 1.274 527 S CA -0.672 57.514 58.200 -0.022 0.000 1.023 527 S CB 1.961 65.150 63.200 -0.017 0.000 0.962 527 S HN 0.700 nan 8.310 nan 0.000 0.523 528 R N 0.828 121.219 120.500 -0.182 0.000 2.080 528 R HA 0.020 4.361 4.340 0.002 0.000 0.222 528 R C 0.793 177.011 176.300 -0.136 0.000 1.107 528 R CA 0.812 56.724 56.100 -0.314 0.000 0.980 528 R CB -0.328 29.685 30.300 -0.479 0.000 0.879 528 R HN 0.936 nan 8.270 nan 0.000 0.439 529 Q N 1.351 121.103 119.800 -0.081 0.000 2.212 529 Q HA 0.144 4.485 4.340 0.002 0.000 0.238 529 Q C -0.869 175.104 176.000 -0.045 0.000 0.955 529 Q CA -0.515 55.261 55.803 -0.046 0.000 0.906 529 Q CB 0.372 29.093 28.738 -0.028 0.000 1.215 529 Q HN -0.094 nan 8.270 nan 0.000 0.478 530 N N 0.715 119.391 118.700 -0.040 0.000 2.492 530 N HA 0.337 5.078 4.740 0.002 0.000 0.260 530 N C -0.697 174.780 175.510 -0.056 0.000 1.215 530 N CA 0.108 53.133 53.050 -0.041 0.000 0.923 530 N CB 0.377 38.845 38.487 -0.032 0.000 1.092 530 N HN 0.460 nan 8.380 nan 0.000 0.448 531 L N 2.573 123.762 121.223 -0.056 0.000 2.470 531 L HA 0.430 4.771 4.340 0.002 0.000 0.268 531 L C -2.330 174.506 176.870 -0.058 0.000 0.964 531 L CA -1.836 52.968 54.840 -0.061 0.000 0.839 531 L CB 2.763 44.788 42.059 -0.057 0.000 1.276 531 L HN 0.315 nan 8.230 nan 0.000 0.403 532 P HA 0.027 nan 4.420 nan 0.000 0.269 532 P C -1.290 175.989 177.300 -0.036 0.000 1.209 532 P CA -0.359 62.719 63.100 -0.037 0.000 0.776 532 P CB 0.611 32.295 31.700 -0.026 0.000 0.876 533 Q N 1.846 121.628 119.800 -0.030 0.000 2.304 533 Q HA 0.280 4.621 4.340 0.002 0.000 0.260 533 Q C 0.197 176.205 176.000 0.014 0.000 0.965 533 Q CA -0.146 55.646 55.803 -0.019 0.000 0.898 533 Q CB 0.314 29.053 28.738 0.002 0.000 1.196 533 Q HN 0.460 nan 8.270 nan 0.000 0.402 534 L N 1.624 122.864 121.223 0.029 0.000 2.375 534 L HA 0.206 4.547 4.340 0.002 0.000 0.271 534 L C 0.608 177.516 176.870 0.062 0.000 1.107 534 L CA -0.682 54.185 54.840 0.044 0.000 0.806 534 L CB 0.552 42.644 42.059 0.055 0.000 1.146 534 L HN 0.542 nan 8.230 nan 0.000 0.447 535 E N 1.533 121.766 120.200 0.055 0.000 2.105 535 E HA 0.450 4.801 4.350 0.002 0.000 0.285 535 E C 0.561 177.208 176.600 0.078 0.000 1.055 535 E CA 0.434 56.870 56.400 0.059 0.000 0.843 535 E CB 0.616 30.342 29.700 0.043 0.000 1.067 535 E HN 0.688 nan 8.360 nan 0.000 0.398 536 G N 3.212 112.072 108.800 0.100 0.000 2.296 536 G HA2 -0.225 3.736 3.960 0.002 0.000 0.188 536 G HA3 -0.225 3.736 3.960 0.002 0.000 0.188 536 G C 0.238 175.272 174.900 0.223 0.000 1.000 536 G CA -0.015 45.169 45.100 0.140 0.000 0.672 536 G HN 0.993 nan 8.290 nan 0.000 0.483 537 S N 0.271 116.097 115.700 0.211 0.000 2.617 537 S HA 0.815 5.286 4.470 0.002 0.000 0.269 537 S C 0.112 174.774 174.600 0.103 0.000 1.292 537 S CA 0.890 59.247 58.200 0.262 0.000 1.010 537 S CB 1.922 65.262 63.200 0.234 0.000 0.944 537 S HN 2.080 nan 8.310 nan 0.000 0.536 538 S N 0.677 116.377 115.700 0.000 0.000 2.580 538 S HA 0.362 4.833 4.470 0.002 0.000 0.281 538 S C 0.475 175.026 174.600 -0.081 0.000 1.129 538 S CA -0.946 57.233 58.200 -0.035 0.000 0.862 538 S CB -0.109 63.059 63.200 -0.053 0.000 1.090 538 S HN 0.622 nan 8.310 nan 0.000 0.451 539 I N 1.219 121.762 120.570 -0.044 0.000 2.151 539 I HA -0.243 3.928 4.170 0.002 0.000 0.243 539 I C 2.480 178.552 176.117 -0.076 0.000 1.080 539 I CA 1.873 63.142 61.300 -0.052 0.000 1.339 539 I CB -0.551 37.414 38.000 -0.057 0.000 1.039 539 I HN 0.733 nan 8.210 nan 0.000 0.409 540 E N 0.868 121.017 120.200 -0.086 0.000 2.049 540 E HA -0.193 4.158 4.350 0.002 0.000 0.198 540 E C 2.333 178.864 176.600 -0.114 0.000 1.007 540 E CA 1.767 58.117 56.400 -0.083 0.000 0.809 540 E CB -0.438 29.218 29.700 -0.073 0.000 0.749 540 E HN 0.290 nan 8.360 nan 0.000 0.450 541 S N 0.024 115.588 115.700 -0.227 0.000 2.355 541 S HA -0.120 4.351 4.470 0.002 0.000 0.222 541 S C 2.044 176.406 174.600 -0.396 0.000 1.031 541 S CA 0.996 58.959 58.200 -0.395 0.000 0.993 541 S CB -0.413 62.307 63.200 -0.799 0.000 0.859 541 S HN 0.422 nan 8.310 nan 0.000 0.453 542 A N 1.194 123.781 122.820 -0.388 0.000 2.019 542 A HA -0.057 4.264 4.320 0.002 0.000 0.219 542 A C 2.161 179.935 177.584 0.317 0.000 1.164 542 A CA 1.597 53.678 52.037 0.074 0.000 0.644 542 A CB -0.688 18.416 19.000 0.174 0.000 0.805 542 A HN 0.435 nan 8.150 nan 0.000 0.449 543 S N -0.279 115.524 115.700 0.172 0.000 2.500 543 S HA -0.081 4.390 4.470 0.002 0.000 0.239 543 S C 1.509 176.295 174.600 0.310 0.000 0.989 543 S CA 1.217 59.573 58.200 0.261 0.000 0.951 543 S CB -0.127 63.137 63.200 0.107 0.000 0.759 543 S HN 0.666 nan 8.310 nan 0.000 0.523 544 K N 0.219 120.760 120.400 0.236 0.000 2.444 544 K HA 0.200 4.521 4.320 0.002 0.000 0.193 544 K C 1.587 178.404 176.600 0.362 0.000 1.024 544 K CA 0.494 56.905 56.287 0.207 0.000 1.077 544 K CB 0.131 32.671 32.500 0.066 0.000 0.833 544 K HN 0.388 nan 8.250 nan 0.000 0.517 545 G N 0.971 110.010 108.800 0.398 0.000 2.320 545 G HA2 -0.250 3.711 3.960 0.002 0.000 0.242 545 G HA3 -0.250 3.711 3.960 0.002 0.000 0.242 545 G C 0.313 175.356 174.900 0.239 0.000 1.033 545 G CA -0.047 45.207 45.100 0.256 0.000 0.620 545 G HN 0.577 nan 8.290 nan 0.000 0.517 546 G N -0.872 108.152 108.800 0.374 0.000 2.759 546 G HA2 0.867 4.828 3.960 0.002 0.000 0.297 546 G HA3 0.867 4.828 3.960 0.002 0.000 0.297 546 G C -1.070 174.076 174.900 0.410 0.000 1.434 546 G CA 0.176 45.312 45.100 0.060 0.000 0.980 546 G HN 1.790 nan 8.290 nan 0.000 0.531 547 Y N -1.127 119.193 120.300 0.035 0.000 2.620 547 Y HA 0.603 5.154 4.550 0.002 0.000 0.331 547 Y C -0.860 175.060 175.900 0.033 0.000 1.173 547 Y CA -1.675 56.493 58.100 0.115 0.000 1.076 547 Y CB 0.762 39.336 38.460 0.189 0.000 1.336 547 Y HN 0.515 nan 8.280 nan 0.000 0.459 548 V N 4.363 124.338 119.914 0.101 0.000 2.425 548 V HA -0.021 4.100 4.120 0.002 0.000 0.276 548 V C 1.035 177.132 176.094 0.005 0.000 1.017 548 V CA 0.294 62.590 62.300 -0.006 0.000 1.062 548 V CB 0.292 32.145 31.823 0.051 0.000 0.997 548 V HN 0.932 nan 8.190 nan 0.000 0.476 549 L N 4.593 125.713 121.223 -0.171 0.000 2.068 549 L HA 0.107 4.448 4.340 0.002 0.000 0.204 549 L C 1.154 178.037 176.870 0.021 0.000 1.076 549 L CA 1.715 56.501 54.840 -0.091 0.000 0.753 549 L CB 0.125 42.070 42.059 -0.190 0.000 0.910 549 L HN 0.674 nan 8.230 nan 0.000 0.439 550 Q N -0.273 119.521 119.800 -0.010 0.000 2.353 550 Q HA 0.307 4.648 4.340 0.002 0.000 0.268 550 Q C -1.447 174.558 176.000 0.009 0.000 1.045 550 Q CA -0.680 55.129 55.803 0.011 0.000 0.811 550 Q CB 2.251 30.990 28.738 0.001 0.000 1.305 550 Q HN 0.068 nan 8.270 nan 0.000 0.447 551 D N 1.016 121.429 120.400 0.021 0.000 2.433 551 D HA 0.647 5.288 4.640 0.002 0.000 0.236 551 D C -1.415 174.894 176.300 0.015 0.000 1.026 551 D CA -0.552 53.459 54.000 0.018 0.000 0.884 551 D CB 2.194 43.011 40.800 0.029 0.000 1.384 551 D HN 0.325 nan 8.370 nan 0.000 0.477 552 V N -1.182 118.738 119.914 0.011 0.000 3.087 552 V HA 0.902 5.023 4.120 0.002 0.000 0.306 552 V C -0.665 175.434 176.094 0.009 0.000 1.187 552 V CA -1.201 61.105 62.300 0.010 0.000 0.999 552 V CB 1.248 33.075 31.823 0.006 0.000 1.049 552 V HN 0.661 nan 8.190 nan 0.000 0.431 553 A N 2.714 125.540 122.820 0.009 0.000 2.362 553 A HA 0.631 4.952 4.320 0.002 0.000 0.276 553 A C 0.616 178.203 177.584 0.006 0.000 1.153 553 A CA -0.037 52.005 52.037 0.008 0.000 0.813 553 A CB -0.530 18.475 19.000 0.008 0.000 1.081 553 A HN 1.505 nan 8.150 nan 0.000 0.507 554 N N 0.762 119.465 118.700 0.004 0.000 2.648 554 N HA -0.097 4.644 4.740 0.002 0.000 0.265 554 N C -2.615 172.896 175.510 0.002 0.000 1.100 554 N CA 1.017 54.069 53.050 0.002 0.000 0.715 554 N CB -1.208 37.280 38.487 0.002 0.000 0.881 554 N HN 0.633 nan 8.380 nan 0.000 0.548 555 P HA 0.153 nan 4.420 nan 0.000 0.275 555 P C 0.313 177.614 177.300 0.002 0.000 1.228 555 P CA -0.050 63.051 63.100 0.002 0.000 0.786 555 P CB 1.116 32.817 31.700 0.002 0.000 0.927 556 D N 1.095 121.498 120.400 0.005 0.000 2.249 556 D HA 0.122 4.763 4.640 0.002 0.000 0.205 556 D C 0.761 177.068 176.300 0.012 0.000 0.962 556 D CA 1.024 55.028 54.000 0.007 0.000 0.860 556 D CB 0.682 41.487 40.800 0.009 0.000 0.955 556 D HN 0.341 nan 8.370 nan 0.000 0.505 557 I N 0.224 120.802 120.570 0.013 0.000 2.908 557 I HA 0.255 4.426 4.170 0.002 0.000 0.300 557 I C -1.729 174.396 176.117 0.014 0.000 1.385 557 I CA -0.710 60.602 61.300 0.021 0.000 1.004 557 I CB 2.791 40.809 38.000 0.029 0.000 1.309 557 I HN -0.332 nan 8.210 nan 0.000 0.449 558 I N 6.669 127.251 120.570 0.020 0.000 2.378 558 I HA 0.387 4.558 4.170 0.002 0.000 0.291 558 I C -0.976 175.141 176.117 -0.000 0.000 0.992 558 I CA -0.665 60.638 61.300 0.004 0.000 1.154 558 I CB 1.742 39.745 38.000 0.005 0.000 1.315 558 I HN 0.317 nan 8.210 nan 0.000 0.448 559 L N 7.161 128.371 121.223 -0.021 0.000 2.287 559 L HA 0.513 4.854 4.340 0.002 0.000 0.287 559 L C -0.661 176.165 176.870 -0.072 0.000 1.022 559 L CA -0.773 54.047 54.840 -0.033 0.000 0.814 559 L CB 1.649 43.694 42.059 -0.023 0.000 1.217 559 L HN 0.273 nan 8.230 nan 0.000 0.420 560 V N 2.752 122.604 119.914 -0.104 0.000 2.417 560 V HA 0.863 4.984 4.120 0.002 0.000 0.291 560 V C 0.161 176.129 176.094 -0.210 0.000 1.024 560 V CA -0.373 61.838 62.300 -0.148 0.000 0.861 560 V CB 1.313 33.061 31.823 -0.124 0.000 0.985 560 V HN 0.890 nan 8.190 nan 0.000 0.436 561 A N 3.492 126.225 122.820 -0.144 0.000 2.564 561 A HA 1.037 5.358 4.320 0.002 0.000 0.288 561 A C -0.298 177.287 177.584 0.001 0.000 1.164 561 A CA -0.183 51.783 52.037 -0.119 0.000 0.712 561 A CB 2.360 21.308 19.000 -0.086 0.000 1.303 561 A HN 1.033 nan 8.150 nan 0.000 0.418 562 T N -2.712 111.870 114.554 0.048 0.000 2.883 562 T HA 0.711 5.062 4.350 0.002 0.000 0.301 562 T C 0.780 175.519 174.700 0.064 0.000 1.158 562 T CA 0.659 62.828 62.100 0.115 0.000 1.007 562 T CB 0.959 69.980 68.868 0.254 0.000 1.186 562 T HN 2.711 nan 8.240 nan 0.000 0.499 563 G N 2.308 111.155 108.800 0.078 0.000 2.622 563 G HA2 -0.361 3.600 3.960 0.002 0.000 0.307 563 G HA3 -0.361 3.600 3.960 0.002 0.000 0.307 563 G C 1.279 176.188 174.900 0.015 0.000 1.226 563 G CA 1.708 46.840 45.100 0.054 0.000 0.997 563 G HN 2.182 nan 8.290 nan 0.000 0.551 564 S N 0.153 115.849 115.700 -0.008 0.000 2.555 564 S HA 0.132 4.603 4.470 0.002 0.000 0.230 564 S C 1.648 176.207 174.600 -0.068 0.000 0.978 564 S CA 1.860 60.033 58.200 -0.045 0.000 0.934 564 S CB 0.242 63.409 63.200 -0.055 0.000 0.766 564 S HN 0.587 nan 8.310 nan 0.000 0.533 565 E N 1.098 121.263 120.200 -0.057 0.000 2.442 565 E HA 0.176 4.527 4.350 0.002 0.000 0.195 565 E C 1.790 178.370 176.600 -0.033 0.000 1.030 565 E CA 0.130 56.494 56.400 -0.059 0.000 0.869 565 E CB -0.301 29.342 29.700 -0.096 0.000 0.857 565 E HN 0.386 nan 8.360 nan 0.000 0.505 566 V N 0.936 120.832 119.914 -0.031 0.000 2.261 566 V HA -0.295 3.826 4.120 0.002 0.000 0.246 566 V C 2.335 178.413 176.094 -0.026 0.000 1.047 566 V CA 2.101 64.381 62.300 -0.033 0.000 1.015 566 V CB -0.863 30.942 31.823 -0.030 0.000 0.642 566 V HN 0.424 nan 8.190 nan 0.000 0.446 567 S N 0.535 116.219 115.700 -0.026 0.000 2.368 567 S HA -0.214 4.257 4.470 0.002 0.000 0.225 567 S C 1.989 176.577 174.600 -0.020 0.000 1.030 567 S CA 1.729 59.914 58.200 -0.025 0.000 0.999 567 S CB -0.747 62.432 63.200 -0.035 0.000 0.844 567 S HN 0.390 nan 8.310 nan 0.000 0.459 568 L N 2.063 123.273 121.223 -0.022 0.000 2.079 568 L HA -0.018 4.323 4.340 0.002 0.000 0.210 568 L C 2.415 179.306 176.870 0.035 0.000 1.081 568 L CA 1.887 56.732 54.840 0.008 0.000 0.752 568 L CB -0.998 41.081 42.059 0.032 0.000 0.896 568 L HN 0.317 nan 8.230 nan 0.000 0.433 569 S N -1.383 114.333 115.700 0.026 0.000 2.383 569 S HA -0.125 4.346 4.470 0.002 0.000 0.227 569 S C 1.935 176.540 174.600 0.008 0.000 1.026 569 S CA 1.256 59.470 58.200 0.024 0.000 0.981 569 S CB -0.297 62.903 63.200 0.000 0.000 0.818 569 S HN 0.345 nan 8.310 nan 0.000 0.472 570 V N 1.952 121.865 119.914 -0.002 0.000 2.343 570 V HA -0.115 4.006 4.120 0.002 0.000 0.247 570 V C 2.517 178.613 176.094 0.003 0.000 1.051 570 V CA 1.463 63.761 62.300 -0.003 0.000 1.036 570 V CB -0.457 31.363 31.823 -0.005 0.000 0.654 570 V HN 0.388 nan 8.190 nan 0.000 0.451 571 E N 0.102 120.306 120.200 0.006 0.000 2.150 571 E HA -0.120 4.231 4.350 0.002 0.000 0.193 571 E C 2.332 178.940 176.600 0.013 0.000 0.985 571 E CA 1.339 57.744 56.400 0.008 0.000 0.814 571 E CB -0.310 29.395 29.700 0.007 0.000 0.752 571 E HN 0.571 nan 8.360 nan 0.000 0.466 572 A N 1.331 124.163 122.820 0.020 0.000 1.930 572 A HA -0.035 4.286 4.320 0.002 0.000 0.217 572 A C 2.402 179.992 177.584 0.010 0.000 1.175 572 A CA 1.715 53.764 52.037 0.021 0.000 0.627 572 A CB -0.439 18.583 19.000 0.036 0.000 0.815 572 A HN 0.253 nan 8.150 nan 0.000 0.443 573 A N 0.060 122.885 122.820 0.008 0.000 1.902 573 A HA -0.175 4.146 4.320 0.002 0.000 0.217 573 A C 2.091 179.677 177.584 0.003 0.000 1.181 573 A CA 1.860 53.899 52.037 0.003 0.000 0.623 573 A CB -0.444 18.556 19.000 0.001 0.000 0.818 573 A HN 0.551 nan 8.150 nan 0.000 0.443 574 K N -0.910 119.493 120.400 0.004 0.000 2.009 574 K HA -0.130 4.191 4.320 0.002 0.000 0.210 574 K C 2.150 178.752 176.600 0.003 0.000 1.049 574 K CA 1.905 58.194 56.287 0.004 0.000 0.929 574 K CB -0.586 31.917 32.500 0.005 0.000 0.714 574 K HN 0.455 nan 8.250 nan 0.000 0.440 575 T N 1.961 116.517 114.554 0.003 0.000 2.665 575 T HA -0.141 4.210 4.350 0.002 0.000 0.268 575 T C 1.836 176.535 174.700 -0.002 0.000 1.035 575 T CA 1.233 63.333 62.100 0.001 0.000 1.151 575 T CB -0.214 68.655 68.868 0.002 0.000 0.862 575 T HN 0.119 nan 8.240 nan 0.000 0.438 576 L N 0.506 121.728 121.223 -0.002 0.000 2.141 576 L HA -0.037 4.304 4.340 0.002 0.000 0.209 576 L C 2.974 179.843 176.870 -0.002 0.000 1.094 576 L CA 0.952 55.790 54.840 -0.004 0.000 0.763 576 L CB -0.593 41.464 42.059 -0.004 0.000 0.908 576 L HN 0.241 nan 8.230 nan 0.000 0.437 577 A N 0.154 122.974 122.820 0.000 0.000 1.933 577 A HA -0.168 4.153 4.320 0.002 0.000 0.218 577 A C 2.533 180.117 177.584 0.000 0.000 1.175 577 A CA 1.576 53.613 52.037 0.001 0.000 0.628 577 A CB -0.663 18.338 19.000 0.002 0.000 0.814 577 A HN 0.385 nan 8.150 nan 0.000 0.444 578 A N -0.134 122.686 122.820 0.000 0.000 2.024 578 A HA -0.148 4.173 4.320 0.002 0.000 0.220 578 A C 1.782 179.364 177.584 -0.002 0.000 1.164 578 A CA 1.638 53.675 52.037 -0.000 0.000 0.643 578 A CB -0.333 18.667 19.000 -0.001 0.000 0.806 578 A HN 0.540 nan 8.150 nan 0.000 0.451 579 K N -0.521 119.877 120.400 -0.003 0.000 2.493 579 K HA 0.154 4.475 4.320 0.002 0.000 0.207 579 K C -0.224 176.374 176.600 -0.003 0.000 1.033 579 K CA -0.135 56.150 56.287 -0.004 0.000 1.161 579 K CB -0.085 32.411 32.500 -0.006 0.000 0.873 579 K HN 0.475 nan 8.250 nan 0.000 0.491 580 N N 1.402 120.101 118.700 -0.001 0.000 2.735 580 N HA -0.182 4.559 4.740 0.002 0.000 0.248 580 N C -0.957 174.553 175.510 -0.000 0.000 1.083 580 N CA 0.612 53.662 53.050 -0.000 0.000 0.703 580 N CB -0.745 37.742 38.487 -0.001 0.000 1.005 580 N HN 0.311 nan 8.380 nan 0.000 0.550 581 I N 1.146 121.716 120.570 -0.000 0.000 2.389 581 I HA 0.198 4.369 4.170 0.002 0.000 0.288 581 I C 0.177 176.295 176.117 0.002 0.000 0.999 581 I CA -0.530 60.771 61.300 0.001 0.000 1.129 581 I CB 1.639 39.639 38.000 -0.000 0.000 1.288 581 I HN -0.178 nan 8.210 nan 0.000 0.444 582 K N 5.677 126.078 120.400 0.003 0.000 2.267 582 K HA 0.595 4.916 4.320 0.002 0.000 0.282 582 K C -0.374 176.227 176.600 0.003 0.000 1.078 582 K CA -0.277 56.011 56.287 0.003 0.000 0.903 582 K CB 1.326 33.828 32.500 0.003 0.000 1.111 582 K HN 0.676 nan 8.250 nan 0.000 0.475 583 A N 3.764 126.585 122.820 0.001 0.000 2.317 583 A HA 0.435 4.756 4.320 0.002 0.000 0.327 583 A C -0.509 177.072 177.584 -0.004 0.000 1.178 583 A CA -0.728 51.309 52.037 -0.000 0.000 0.817 583 A CB 0.752 19.752 19.000 -0.001 0.000 1.189 583 A HN 0.793 nan 8.150 nan 0.000 0.489 584 R N 2.017 122.513 120.500 -0.007 0.000 2.407 584 R HA 0.612 4.953 4.340 0.002 0.000 0.303 584 R C -1.604 174.679 176.300 -0.028 0.000 0.981 584 R CA -0.313 55.779 56.100 -0.014 0.000 0.905 584 R CB 1.258 31.551 30.300 -0.012 0.000 1.099 584 R HN 0.454 nan 8.270 nan 0.000 0.459 585 V N 5.218 125.108 119.914 -0.041 0.000 2.417 585 V HA 0.385 4.506 4.120 0.002 0.000 0.291 585 V C -0.487 175.538 176.094 -0.114 0.000 1.024 585 V CA -0.726 61.534 62.300 -0.066 0.000 0.861 585 V CB 1.682 33.473 31.823 -0.054 0.000 0.985 585 V HN 0.533 nan 8.190 nan 0.000 0.436 586 V N 3.524 123.351 119.914 -0.146 0.000 2.555 586 V HA 0.519 4.640 4.120 0.002 0.000 0.302 586 V C 0.119 176.049 176.094 -0.274 0.000 1.038 586 V CA -0.336 61.827 62.300 -0.228 0.000 0.887 586 V CB 2.183 33.881 31.823 -0.208 0.000 0.991 586 V HN 0.843 nan 8.190 nan 0.000 0.434 587 S N 4.406 119.843 115.700 -0.439 0.000 2.437 587 S HA 0.632 5.103 4.470 0.002 0.000 0.305 587 S C -0.672 173.767 174.600 -0.268 0.000 1.109 587 S CA -0.465 57.520 58.200 -0.357 0.000 1.099 587 S CB 0.571 63.465 63.200 -0.511 0.000 1.004 587 S HN 0.641 nan 8.310 nan 0.000 0.475 588 L N 8.342 129.494 121.223 -0.117 0.000 2.506 588 L HA 0.425 4.766 4.340 0.002 0.000 0.247 588 L C -1.522 175.389 176.870 0.068 0.000 1.141 588 L CA -1.969 52.798 54.840 -0.122 0.000 0.973 588 L CB 1.489 43.415 42.059 -0.222 0.000 1.319 588 L HN 0.568 nan 8.230 nan 0.000 0.455 589 P HA -0.102 nan 4.420 nan 0.000 0.221 589 P C -0.179 177.096 177.300 -0.042 0.000 1.145 589 P CA 1.005 64.229 63.100 0.207 0.000 0.795 589 P CB 0.260 32.266 31.700 0.510 0.000 0.775 590 D N -2.282 117.994 120.400 -0.207 0.000 2.738 590 D HA 0.135 4.776 4.640 0.002 0.000 0.218 590 D C 0.447 176.775 176.300 0.046 0.000 1.345 590 D CA -0.604 53.178 54.000 -0.364 0.000 0.943 590 D CB 0.266 40.242 40.800 -1.373 0.000 1.514 590 D HN -0.381 nan 8.370 nan 0.000 0.585 591 F N 2.465 122.357 119.950 -0.097 0.000 2.095 591 F HA -0.051 4.477 4.527 0.002 0.000 0.298 591 F C 2.038 177.921 175.800 0.138 0.000 1.104 591 F CA 0.777 58.836 58.000 0.098 0.000 1.232 591 F CB -1.024 38.035 39.000 0.098 0.000 0.987 591 F HN 0.516 nan 8.300 nan 0.000 0.475 592 F N 1.181 121.215 119.950 0.141 0.000 2.025 592 F HA -0.315 4.213 4.527 0.002 0.000 0.297 592 F C 2.536 178.376 175.800 0.067 0.000 1.132 592 F CA 2.669 60.710 58.000 0.068 0.000 1.191 592 F CB -1.007 37.990 39.000 -0.006 0.000 0.963 592 F HN -0.098 nan 8.300 nan 0.000 0.481 593 T N 0.986 115.653 114.554 0.188 0.000 2.737 593 T HA -0.263 4.088 4.350 0.002 0.000 0.269 593 T C 1.646 176.402 174.700 0.095 0.000 1.040 593 T CA 1.635 63.809 62.100 0.124 0.000 1.142 593 T CB -0.833 68.126 68.868 0.151 0.000 0.861 593 T HN 0.346 nan 8.240 nan 0.000 0.456 594 F N 2.756 122.694 119.950 -0.019 0.000 2.046 594 F HA -0.131 4.397 4.527 0.002 0.000 0.297 594 F C 1.853 177.656 175.800 0.006 0.000 1.123 594 F CA 1.409 59.419 58.000 0.017 0.000 1.199 594 F CB -0.616 38.350 39.000 -0.058 0.000 0.972 594 F HN 0.079 nan 8.300 nan 0.000 0.474 595 D N 0.188 120.542 120.400 -0.076 0.000 2.265 595 D HA -0.156 4.485 4.640 0.002 0.000 0.208 595 D C 2.007 178.161 176.300 -0.243 0.000 0.977 595 D CA 0.874 54.757 54.000 -0.196 0.000 0.871 595 D CB -0.331 40.403 40.800 -0.111 0.000 0.925 595 D HN 0.326 nan 8.370 nan 0.000 0.485 596 K N 0.328 120.574 120.400 -0.258 0.000 2.365 596 K HA -0.002 4.319 4.320 0.002 0.000 0.199 596 K C 0.812 177.329 176.600 -0.137 0.000 1.045 596 K CA 0.294 56.446 56.287 -0.224 0.000 0.962 596 K CB 0.147 32.503 32.500 -0.240 0.000 0.759 596 K HN 0.263 nan 8.250 nan 0.000 0.469 597 Q N 1.160 120.875 119.800 -0.142 0.000 2.368 597 Q HA 0.179 4.520 4.340 0.002 0.000 0.237 597 Q C -2.186 173.767 176.000 -0.078 0.000 0.987 597 Q CA -2.170 53.578 55.803 -0.091 0.000 0.896 597 Q CB -0.321 28.420 28.738 0.004 0.000 1.241 597 Q HN 0.076 nan 8.270 nan 0.000 0.485 598 P HA -0.033 nan 4.420 nan 0.000 0.271 598 P C 0.736 178.031 177.300 -0.009 0.000 1.216 598 P CA -0.281 62.812 63.100 -0.011 0.000 0.776 598 P CB 0.749 32.458 31.700 0.014 0.000 0.881 599 L N 3.761 124.957 121.223 -0.045 0.000 2.051 599 L HA -0.232 4.109 4.340 0.002 0.000 0.214 599 L C 2.380 179.224 176.870 -0.042 0.000 1.076 599 L CA 2.105 56.906 54.840 -0.066 0.000 0.758 599 L CB -1.238 40.786 42.059 -0.058 0.000 0.890 599 L HN 0.540 nan 8.230 nan 0.000 0.433 600 E N -1.991 118.208 120.200 -0.002 0.000 2.204 600 E HA -0.303 4.048 4.350 0.002 0.000 0.195 600 E C 2.162 178.781 176.600 0.032 0.000 0.990 600 E CA 1.609 58.016 56.400 0.012 0.000 0.821 600 E CB -0.878 28.838 29.700 0.027 0.000 0.750 600 E HN 0.674 nan 8.360 nan 0.000 0.477 601 Y N 2.106 122.384 120.300 -0.036 0.000 2.206 601 Y HA 0.051 4.602 4.550 0.002 0.000 0.292 601 Y C 2.337 178.235 175.900 -0.002 0.000 1.123 601 Y CA 1.299 59.393 58.100 -0.010 0.000 1.142 601 Y CB -0.107 38.341 38.460 -0.021 0.000 1.006 601 Y HN -0.183 nan 8.280 nan 0.000 0.518 602 R N 0.275 120.605 120.500 -0.284 0.000 2.096 602 R HA -0.198 4.143 4.340 0.002 0.000 0.240 602 R C 2.290 178.495 176.300 -0.159 0.000 1.139 602 R CA 2.086 57.961 56.100 -0.375 0.000 0.952 602 R CB -0.845 29.174 30.300 -0.468 0.000 0.854 602 R HN 0.390 nan 8.270 nan 0.000 0.436 603 L N 1.018 122.172 121.223 -0.115 0.000 2.265 603 L HA -0.156 4.185 4.340 0.002 0.000 0.215 603 L C 2.531 179.362 176.870 -0.064 0.000 1.117 603 L CA 1.269 56.075 54.840 -0.058 0.000 0.782 603 L CB -0.367 41.668 42.059 -0.039 0.000 0.914 603 L HN 0.324 nan 8.230 nan 0.000 0.441 604 S N -1.774 113.856 115.700 -0.116 0.000 2.436 604 S HA -0.056 4.415 4.470 0.002 0.000 0.228 604 S C 1.748 176.286 174.600 -0.102 0.000 1.014 604 S CA 0.599 58.744 58.200 -0.091 0.000 0.950 604 S CB -0.220 62.931 63.200 -0.082 0.000 0.784 604 S HN 0.170 nan 8.310 nan 0.000 0.504 605 V N 1.069 120.890 119.914 -0.156 0.000 2.500 605 V HA 0.292 4.413 4.120 0.002 0.000 0.243 605 V C 0.925 176.994 176.094 -0.042 0.000 1.039 605 V CA 0.887 63.128 62.300 -0.099 0.000 1.053 605 V CB -0.426 31.345 31.823 -0.087 0.000 0.695 605 V HN 0.472 nan 8.190 nan 0.000 0.463 606 L N 3.219 124.443 121.223 0.001 0.000 2.445 606 L HA 0.392 4.733 4.340 0.002 0.000 0.252 606 L C -2.556 174.325 176.870 0.017 0.000 1.105 606 L CA -1.323 53.528 54.840 0.018 0.000 0.943 606 L CB 1.606 43.700 42.059 0.060 0.000 1.277 606 L HN 0.174 nan 8.230 nan 0.000 0.465 607 P HA 0.226 nan 4.420 nan 0.000 0.278 607 P C -0.707 176.606 177.300 0.022 0.000 1.266 607 P CA -0.491 62.613 63.100 0.007 0.000 0.807 607 P CB 1.564 33.264 31.700 -0.001 0.000 1.094 608 D N 0.074 120.482 120.400 0.014 0.000 2.393 608 D HA 0.052 4.693 4.640 0.002 0.000 0.246 608 D C 1.000 177.299 176.300 -0.001 0.000 1.275 608 D CA 0.383 54.392 54.000 0.014 0.000 0.979 608 D CB -0.301 40.501 40.800 0.002 0.000 1.101 608 D HN 0.381 nan 8.370 nan 0.000 0.505 609 N N -1.951 116.735 118.700 -0.023 0.000 2.815 609 N HA -0.166 4.575 4.740 0.002 0.000 0.247 609 N C -1.080 174.396 175.510 -0.057 0.000 1.030 609 N CA 0.698 53.720 53.050 -0.045 0.000 0.881 609 N CB -1.090 37.381 38.487 -0.028 0.000 1.134 609 N HN 0.118 nan 8.380 nan 0.000 0.582 610 V N 0.462 120.346 119.914 -0.050 0.000 2.638 610 V HA 0.476 4.597 4.120 0.002 0.000 0.306 610 V C -2.138 173.909 176.094 -0.079 0.000 1.052 610 V CA -1.560 60.712 62.300 -0.047 0.000 0.885 610 V CB 2.660 34.480 31.823 -0.005 0.000 0.999 610 V HN -0.138 nan 8.190 nan 0.000 0.424 611 P HA 0.403 nan 4.420 nan 0.000 0.271 611 P C -0.928 176.428 177.300 0.093 0.000 1.216 611 P CA 0.066 63.069 63.100 -0.161 0.000 0.776 611 P CB 1.275 32.954 31.700 -0.034 0.000 0.881 612 I N 3.441 124.208 120.570 0.328 0.000 2.465 612 I HA 0.485 4.656 4.170 0.002 0.000 0.291 612 I C 0.293 176.521 176.117 0.185 0.000 1.014 612 I CA -0.766 60.664 61.300 0.217 0.000 1.093 612 I CB 2.022 40.121 38.000 0.166 0.000 1.267 612 I HN 0.255 nan 8.210 nan 0.000 0.431 613 M N 5.939 125.594 119.600 0.091 0.000 2.327 613 M HA 0.499 4.980 4.480 0.002 0.000 0.298 613 M C -0.820 175.460 176.300 -0.033 0.000 1.065 613 M CA -0.328 55.007 55.300 0.058 0.000 0.916 613 M CB 1.865 34.498 32.600 0.054 0.000 1.630 613 M HN 0.685 nan 8.290 nan 0.000 0.442 614 S N 3.384 119.012 115.700 -0.120 0.000 2.654 614 S HA 0.862 5.333 4.470 0.002 0.000 0.283 614 S C -0.789 173.633 174.600 -0.296 0.000 1.180 614 S CA -0.723 57.237 58.200 -0.401 0.000 1.021 614 S CB 1.787 64.439 63.200 -0.915 0.000 1.018 614 S HN 0.580 nan 8.310 nan 0.000 0.532 615 V N 1.146 120.852 119.914 -0.346 0.000 2.623 615 V HA 0.740 4.861 4.120 0.002 0.000 0.304 615 V C -0.574 175.370 176.094 -0.251 0.000 1.054 615 V CA -0.424 61.816 62.300 -0.101 0.000 0.882 615 V CB 1.183 33.050 31.823 0.074 0.000 1.002 615 V HN 1.083 nan 8.190 nan 0.000 0.424 616 E N 2.661 122.701 120.200 -0.267 0.000 2.597 616 E HA 0.253 4.604 4.350 0.002 0.000 0.310 616 E C -0.640 175.683 176.600 -0.462 0.000 0.970 616 E CA -0.580 55.645 56.400 -0.292 0.000 0.819 616 E CB 2.275 31.923 29.700 -0.086 0.000 1.267 616 E HN 0.638 nan 8.360 nan 0.000 0.411 617 V N 2.997 122.520 119.914 -0.652 0.000 3.299 617 V HA 0.336 4.457 4.120 0.002 0.000 0.369 617 V C 0.148 175.994 176.094 -0.414 0.000 1.245 617 V CA 0.300 62.137 62.300 -0.772 0.000 1.459 617 V CB -1.462 29.853 31.823 -0.847 0.000 1.203 617 V HN 0.443 nan 8.190 nan 0.000 0.451 618 L N -0.046 121.033 121.223 -0.240 0.000 2.223 618 L HA 0.879 5.220 4.340 0.002 0.000 0.243 618 L C 0.697 177.532 176.870 -0.057 0.000 1.105 618 L CA -0.813 53.944 54.840 -0.139 0.000 0.943 618 L CB 1.465 43.482 42.059 -0.069 0.000 1.542 618 L HN 0.195 nan 8.230 nan 0.000 0.437 619 A N -0.323 122.479 122.820 -0.029 0.000 2.540 619 A HA 0.276 4.597 4.320 0.002 0.000 0.239 619 A C 0.970 178.638 177.584 0.140 0.000 1.061 619 A CA 0.573 52.615 52.037 0.010 0.000 0.758 619 A CB 0.028 19.014 19.000 -0.024 0.000 0.991 619 A HN 0.824 nan 8.150 nan 0.000 0.502 620 T N -0.737 113.904 114.554 0.144 0.000 3.067 620 T HA -0.089 4.262 4.350 0.002 0.000 0.257 620 T C 1.679 176.536 174.700 0.261 0.000 1.105 620 T CA 1.264 63.522 62.100 0.262 0.000 1.104 620 T CB -0.978 67.992 68.868 0.169 0.000 0.925 620 T HN 1.001 nan 8.240 nan 0.000 0.498 621 T N 1.651 116.287 114.554 0.136 0.000 2.649 621 T HA -0.303 4.048 4.350 0.002 0.000 0.268 621 T C 2.234 176.981 174.700 0.078 0.000 1.036 621 T CA 1.837 63.987 62.100 0.084 0.000 1.157 621 T CB -1.850 67.033 68.868 0.025 0.000 0.861 621 T HN 0.800 nan 8.240 nan 0.000 0.445 622 C N -1.780 117.552 119.300 0.054 0.000 2.500 622 C HA 0.320 4.781 4.460 0.002 0.000 0.273 622 C C 2.215 177.181 174.990 -0.040 0.000 1.428 622 C CA -1.205 57.800 59.018 -0.022 0.000 1.766 622 C CB -2.346 25.332 27.740 -0.103 0.000 1.817 622 C HN 0.645 nan 8.230 nan 0.000 0.543 623 W N 1.822 123.217 121.300 0.158 0.000 2.595 623 W HA 0.197 4.858 4.660 0.002 0.000 0.257 623 W C 2.438 178.987 176.519 0.050 0.000 1.267 623 W CA 0.771 58.215 57.345 0.164 0.000 1.300 623 W CB -0.401 29.162 29.460 0.170 0.000 1.120 623 W HN 0.464 nan 8.180 nan 0.000 0.618 624 G N 1.123 110.023 108.800 0.166 0.000 2.498 624 G HA2 -0.267 3.694 3.960 0.002 0.000 0.219 624 G HA3 -0.267 3.694 3.960 0.002 0.000 0.219 624 G C 1.500 176.369 174.900 -0.050 0.000 1.119 624 G CA 0.973 46.115 45.100 0.071 0.000 0.766 624 G HN 0.397 nan 8.290 nan 0.000 0.552 625 K N -1.055 119.225 120.400 -0.199 0.000 2.487 625 K HA 0.122 4.443 4.320 0.002 0.000 0.192 625 K C 0.887 177.239 176.600 -0.414 0.000 1.027 625 K CA 0.515 56.572 56.287 -0.384 0.000 1.054 625 K CB -0.038 32.097 32.500 -0.607 0.000 0.824 625 K HN 0.379 nan 8.250 nan 0.000 0.510 626 Y N 0.359 120.623 120.300 -0.060 0.000 2.652 626 Y HA 0.388 4.939 4.550 0.002 0.000 0.274 626 Y C 1.004 176.886 175.900 -0.029 0.000 1.148 626 Y CA -0.394 57.681 58.100 -0.042 0.000 1.219 626 Y CB 0.443 38.877 38.460 -0.043 0.000 1.337 626 Y HN 0.123 nan 8.280 nan 0.000 0.490 627 A N -0.477 122.464 122.820 0.202 0.000 2.313 627 A HA 0.534 4.855 4.320 0.002 0.000 0.323 627 A C 0.207 177.747 177.584 -0.073 0.000 1.133 627 A CA -0.337 51.739 52.037 0.065 0.000 0.847 627 A CB 0.626 19.727 19.000 0.169 0.000 1.308 627 A HN 0.356 nan 8.150 nan 0.000 0.475 628 H N -0.401 118.738 119.070 0.116 0.000 2.451 628 H HA 0.170 4.727 4.556 0.002 0.000 0.294 628 H C -0.275 175.172 175.328 0.198 0.000 1.028 628 H CA 0.888 57.017 56.048 0.134 0.000 1.349 628 H CB 0.597 30.391 29.762 0.053 0.000 1.444 628 H HN 0.519 nan 8.280 nan 0.000 0.538 629 Q N 0.715 120.679 119.800 0.274 0.000 2.331 629 Q HA 0.417 4.758 4.340 0.002 0.000 0.272 629 Q C -0.911 175.156 176.000 0.111 0.000 1.062 629 Q CA -0.383 55.525 55.803 0.175 0.000 0.806 629 Q CB 3.257 32.087 28.738 0.152 0.000 1.312 629 Q HN -0.033 nan 8.270 nan 0.000 0.431 630 S N 1.735 117.492 115.700 0.095 0.000 2.482 630 S HA 0.568 5.039 4.470 0.002 0.000 0.303 630 S C -1.100 173.586 174.600 0.144 0.000 1.091 630 S CA -0.517 57.726 58.200 0.072 0.000 1.057 630 S CB 0.834 64.096 63.200 0.102 0.000 1.031 630 S HN 0.444 nan 8.310 nan 0.000 0.485 631 F N 3.364 123.277 119.950 -0.063 0.000 2.308 631 F HA 0.722 5.250 4.527 0.002 0.000 0.370 631 F C 0.366 176.253 175.800 0.146 0.000 1.100 631 F CA -0.972 57.025 58.000 -0.006 0.000 1.108 631 F CB 0.109 39.094 39.000 -0.025 0.000 1.293 631 F HN 0.648 nan 8.300 nan 0.000 0.478 632 G N 5.370 114.288 108.800 0.196 0.000 2.921 632 G HA2 0.574 4.535 3.960 0.002 0.000 0.291 632 G HA3 0.574 4.535 3.960 0.002 0.000 0.291 632 G C -1.664 173.280 174.900 0.074 0.000 1.370 632 G CA -0.826 44.329 45.100 0.090 0.000 0.847 632 G HN 0.366 nan 8.290 nan 0.000 0.532 633 I N 1.311 121.854 120.570 -0.044 0.000 2.390 633 I HA 0.263 4.434 4.170 0.002 0.000 0.283 633 I C -0.701 175.344 176.117 -0.122 0.000 1.016 633 I CA -0.492 60.732 61.300 -0.126 0.000 1.151 633 I CB 1.807 39.581 38.000 -0.377 0.000 1.293 633 I HN 0.363 nan 8.210 nan 0.000 0.458 634 D N 7.051 127.409 120.400 -0.069 0.000 2.615 634 D HA 0.152 4.793 4.640 0.002 0.000 0.236 634 D C 0.210 176.432 176.300 -0.131 0.000 1.233 634 D CA 0.004 53.949 54.000 -0.092 0.000 0.829 634 D CB 0.521 41.298 40.800 -0.038 0.000 1.024 634 D HN 0.587 nan 8.370 nan 0.000 0.490 635 R N -1.545 118.870 120.500 -0.142 0.000 2.799 635 R HA 0.509 4.850 4.340 0.002 0.000 0.270 635 R C -0.532 175.679 176.300 -0.148 0.000 1.010 635 R CA -0.792 55.238 56.100 -0.116 0.000 0.916 635 R CB 0.571 30.925 30.300 0.090 0.000 1.228 635 R HN -0.345 nan 8.270 nan 0.000 0.469 636 F N 0.407 120.400 119.950 0.071 0.000 2.532 636 F HA 0.307 4.835 4.527 0.002 0.000 0.323 636 F C 1.777 177.652 175.800 0.125 0.000 1.234 636 F CA 1.394 59.431 58.000 0.060 0.000 1.323 636 F CB 0.340 39.379 39.000 0.065 0.000 1.183 636 F HN 0.802 nan 8.300 nan 0.000 0.589 637 G N -0.403 108.581 108.800 0.307 0.000 2.624 637 G HA2 0.611 4.572 3.960 0.002 0.000 0.217 637 G HA3 0.611 4.572 3.960 0.002 0.000 0.217 637 G C -1.332 173.780 174.900 0.353 0.000 1.506 637 G CA 0.043 45.311 45.100 0.279 0.000 1.072 637 G HN 0.928 nan 8.290 nan 0.000 0.568 638 A N -1.792 121.180 122.820 0.255 0.000 2.604 638 A HA 0.616 4.937 4.320 0.002 0.000 0.295 638 A C -0.534 177.076 177.584 0.044 0.000 1.067 638 A CA -0.120 51.990 52.037 0.122 0.000 0.683 638 A CB 1.249 20.263 19.000 0.023 0.000 1.281 638 A HN 1.157 nan 8.150 nan 0.000 0.407 639 S N 0.330 116.024 115.700 -0.010 0.000 2.411 639 S HA 0.661 5.132 4.470 0.002 0.000 0.294 639 S C 0.234 174.807 174.600 -0.044 0.000 1.115 639 S CA 0.552 58.739 58.200 -0.022 0.000 1.071 639 S CB -0.116 63.067 63.200 -0.028 0.000 0.967 639 S HN 2.179 nan 8.310 nan 0.000 0.488 640 G N 3.701 112.487 108.800 -0.023 0.000 2.451 640 G HA2 0.286 4.247 3.960 0.002 0.000 0.292 640 G HA3 0.286 4.247 3.960 0.002 0.000 0.292 640 G C -1.790 173.119 174.900 0.014 0.000 1.427 640 G CA -0.978 44.107 45.100 -0.024 0.000 0.792 640 G HN 0.580 nan 8.290 nan 0.000 0.498 641 K N 0.838 121.251 120.400 0.023 0.000 2.447 641 K HA 0.337 4.658 4.320 0.002 0.000 0.281 641 K C 1.607 178.263 176.600 0.093 0.000 1.031 641 K CA 0.400 56.717 56.287 0.049 0.000 1.019 641 K CB 1.523 34.049 32.500 0.044 0.000 0.918 641 K HN 0.680 nan 8.250 nan 0.000 0.476 642 A N 6.929 129.818 122.820 0.116 0.000 1.906 642 A HA -0.222 4.099 4.320 0.002 0.000 0.222 642 A C -0.594 177.194 177.584 0.340 0.000 1.282 642 A CA 1.848 54.011 52.037 0.210 0.000 0.675 642 A CB -1.583 17.543 19.000 0.210 0.000 0.838 642 A HN 0.641 nan 8.150 nan 0.000 0.469 643 P HA -0.168 nan 4.420 nan 0.000 0.216 643 P C 1.155 178.610 177.300 0.258 0.000 1.153 643 P CA 1.676 64.917 63.100 0.235 0.000 0.858 643 P CB -0.171 31.599 31.700 0.118 0.000 0.789 644 E N -0.733 119.577 120.200 0.183 0.000 2.150 644 E HA -0.092 4.259 4.350 0.002 0.000 0.193 644 E C 1.936 178.659 176.600 0.204 0.000 0.985 644 E CA 0.908 57.400 56.400 0.153 0.000 0.814 644 E CB -0.529 29.215 29.700 0.073 0.000 0.752 644 E HN 0.108 nan 8.360 nan 0.000 0.466 645 V N 0.713 120.759 119.914 0.220 0.000 2.379 645 V HA -0.208 3.913 4.120 0.002 0.000 0.245 645 V C 1.890 178.249 176.094 0.442 0.000 1.044 645 V CA 1.504 63.969 62.300 0.275 0.000 1.036 645 V CB -0.490 31.440 31.823 0.178 0.000 0.664 645 V HN 0.147 nan 8.190 nan 0.000 0.453 646 F N 0.608 120.751 119.950 0.322 0.000 2.102 646 F HA -0.127 4.401 4.527 0.002 0.000 0.298 646 F C 2.444 178.444 175.800 0.334 0.000 1.105 646 F CA 1.731 59.929 58.000 0.331 0.000 1.239 646 F CB -0.378 38.741 39.000 0.197 0.000 0.991 646 F HN -0.017 nan 8.300 nan 0.000 0.474 647 K N -0.728 119.932 120.400 0.433 0.000 2.147 647 K HA -0.213 4.108 4.320 0.002 0.000 0.205 647 K C 1.995 178.734 176.600 0.231 0.000 1.049 647 K CA 1.459 57.915 56.287 0.281 0.000 0.936 647 K CB -0.499 32.123 32.500 0.204 0.000 0.722 647 K HN 0.266 nan 8.250 nan 0.000 0.446 648 F N 0.046 120.040 119.950 0.072 0.000 2.325 648 F HA -0.074 4.454 4.527 0.002 0.000 0.299 648 F C 1.160 176.849 175.800 -0.186 0.000 1.090 648 F CA 1.076 59.010 58.000 -0.110 0.000 1.392 648 F CB 0.063 38.913 39.000 -0.249 0.000 1.053 648 F HN -0.137 nan 8.300 nan 0.000 0.521 649 F N 0.295 120.208 119.950 -0.063 0.000 2.727 649 F HA 0.357 4.885 4.527 0.002 0.000 0.302 649 F C 1.868 177.601 175.800 -0.111 0.000 1.097 649 F CA 0.553 58.457 58.000 -0.160 0.000 1.330 649 F CB 0.225 39.267 39.000 0.071 0.000 1.084 649 F HN 0.105 nan 8.300 nan 0.000 0.578 650 G N -0.282 108.585 108.800 0.110 0.000 2.175 650 G HA2 -0.295 3.666 3.960 0.002 0.000 0.244 650 G HA3 -0.295 3.666 3.960 0.002 0.000 0.244 650 G C 0.161 175.102 174.900 0.068 0.000 0.982 650 G CA -0.541 44.599 45.100 0.066 0.000 0.641 650 G HN 0.179 nan 8.290 nan 0.000 0.527 651 F N 3.130 123.250 119.950 0.284 0.000 2.605 651 F HA 0.500 5.028 4.527 0.002 0.000 0.352 651 F C 1.248 177.174 175.800 0.209 0.000 1.236 651 F CA 0.629 58.778 58.000 0.248 0.000 1.267 651 F CB 0.346 39.472 39.000 0.209 0.000 1.632 651 F HN 0.248 nan 8.300 nan 0.000 0.639 652 T N -1.448 113.265 114.554 0.265 0.000 2.916 652 T HA 0.428 4.779 4.350 0.002 0.000 0.292 652 T C -2.215 172.561 174.700 0.125 0.000 1.064 652 T CA -2.332 59.865 62.100 0.161 0.000 1.011 652 T CB 2.250 71.186 68.868 0.113 0.000 1.152 652 T HN -0.114 nan 8.240 nan 0.000 0.510 653 P HA -0.139 nan 4.420 nan 0.000 0.214 653 P C 1.609 178.931 177.300 0.037 0.000 1.163 653 P CA 1.175 64.307 63.100 0.054 0.000 0.883 653 P CB 0.094 31.813 31.700 0.032 0.000 0.788 654 E N -0.642 119.573 120.200 0.024 0.000 2.208 654 E HA -0.053 4.298 4.350 0.002 0.000 0.193 654 E C 2.225 178.813 176.600 -0.020 0.000 0.988 654 E CA 1.558 57.959 56.400 0.001 0.000 0.828 654 E CB -1.556 28.143 29.700 -0.002 0.000 0.763 654 E HN 0.235 nan 8.360 nan 0.000 0.478 655 G N 1.534 110.332 108.800 -0.003 0.000 2.422 655 G HA2 -0.133 3.828 3.960 0.002 0.000 0.218 655 G HA3 -0.133 3.828 3.960 0.002 0.000 0.218 655 G C 1.755 176.578 174.900 -0.129 0.000 1.140 655 G CA 0.769 45.838 45.100 -0.052 0.000 0.775 655 G HN 0.215 nan 8.290 nan 0.000 0.545 656 V N 1.235 121.143 119.914 -0.011 0.000 2.407 656 V HA 0.012 4.133 4.120 0.002 0.000 0.245 656 V C 3.256 179.304 176.094 -0.076 0.000 1.041 656 V CA 1.660 63.950 62.300 -0.016 0.000 1.040 656 V CB -0.497 31.421 31.823 0.158 0.000 0.671 656 V HN 0.436 nan 8.190 nan 0.000 0.455 657 A N -0.291 122.505 122.820 -0.040 0.000 1.883 657 A HA -0.293 4.028 4.320 0.002 0.000 0.217 657 A C 2.283 179.822 177.584 -0.074 0.000 1.186 657 A CA 2.103 54.115 52.037 -0.042 0.000 0.624 657 A CB -0.561 18.425 19.000 -0.023 0.000 0.822 657 A HN 0.585 nan 8.150 nan 0.000 0.444 658 E N -0.583 119.557 120.200 -0.100 0.000 2.085 658 E HA -0.266 4.085 4.350 0.002 0.000 0.194 658 E C 2.251 178.755 176.600 -0.160 0.000 0.994 658 E CA 1.430 57.759 56.400 -0.120 0.000 0.801 658 E CB -0.042 29.578 29.700 -0.133 0.000 0.743 658 E HN 0.489 nan 8.360 nan 0.000 0.453 659 R N 0.067 120.422 120.500 -0.242 0.000 2.075 659 R HA -0.021 4.320 4.340 0.002 0.000 0.232 659 R C 2.238 178.439 176.300 -0.165 0.000 1.126 659 R CA 1.302 57.228 56.100 -0.290 0.000 0.963 659 R CB -0.497 29.488 30.300 -0.526 0.000 0.858 659 R HN 0.208 nan 8.270 nan 0.000 0.435 660 A N 0.566 123.318 122.820 -0.114 0.000 1.902 660 A HA -0.230 4.091 4.320 0.002 0.000 0.217 660 A C 1.987 179.555 177.584 -0.026 0.000 1.181 660 A CA 1.417 53.427 52.037 -0.045 0.000 0.623 660 A CB -0.434 18.550 19.000 -0.027 0.000 0.818 660 A HN 0.362 nan 8.150 nan 0.000 0.443 661 Q N -0.556 119.218 119.800 -0.043 0.000 2.084 661 Q HA -0.161 4.180 4.340 0.002 0.000 0.202 661 Q C 1.893 177.878 176.000 -0.024 0.000 0.978 661 Q CA 1.334 57.120 55.803 -0.028 0.000 0.844 661 Q CB -0.145 28.570 28.738 -0.037 0.000 0.898 661 Q HN 0.470 nan 8.270 nan 0.000 0.426 662 K N 0.017 120.384 120.400 -0.056 0.000 2.097 662 K HA -0.051 4.270 4.320 0.002 0.000 0.205 662 K C 2.087 178.675 176.600 -0.021 0.000 1.050 662 K CA 1.261 57.513 56.287 -0.059 0.000 0.938 662 K CB -0.634 31.794 32.500 -0.120 0.000 0.718 662 K HN 0.196 nan 8.250 nan 0.000 0.442 663 T N 2.369 116.918 114.554 -0.008 0.000 2.708 663 T HA -0.050 4.301 4.350 0.002 0.000 0.266 663 T C 2.123 176.935 174.700 0.186 0.000 1.037 663 T CA 1.122 63.278 62.100 0.093 0.000 1.146 663 T CB -0.233 68.698 68.868 0.105 0.000 0.865 663 T HN 0.121 nan 8.240 nan 0.000 0.435 664 I N 1.483 122.121 120.570 0.114 0.000 2.226 664 I HA -0.191 3.980 4.170 0.002 0.000 0.245 664 I C 2.960 179.132 176.117 0.091 0.000 1.100 664 I CA 1.165 62.528 61.300 0.105 0.000 1.374 664 I CB -0.544 37.486 38.000 0.050 0.000 1.057 664 I HN 0.204 nan 8.210 nan 0.000 0.413 665 A N 0.727 123.585 122.820 0.063 0.000 1.898 665 A HA -0.248 4.073 4.320 0.002 0.000 0.216 665 A C 2.233 179.848 177.584 0.052 0.000 1.181 665 A CA 1.360 53.423 52.037 0.043 0.000 0.620 665 A CB -0.950 18.064 19.000 0.024 0.000 0.819 665 A HN 0.451 nan 8.150 nan 0.000 0.442 666 F N -0.769 119.093 119.950 -0.146 0.000 2.171 666 F HA -0.150 4.378 4.527 0.002 0.000 0.300 666 F C 1.565 177.157 175.800 -0.346 0.000 1.090 666 F CA 1.388 59.212 58.000 -0.293 0.000 1.293 666 F CB -0.194 38.536 39.000 -0.450 0.000 1.013 666 F HN 0.296 nan 8.300 nan 0.000 0.486 667 Y N -0.091 120.172 120.300 -0.063 0.000 2.457 667 Y HA 0.237 4.788 4.550 0.002 0.000 0.263 667 Y C 0.712 176.531 175.900 -0.136 0.000 1.164 667 Y CA -0.529 57.456 58.100 -0.191 0.000 1.274 667 Y CB -0.604 37.782 38.460 -0.124 0.000 1.097 667 Y HN -0.281 nan 8.280 nan 0.000 0.523 668 K N 0.718 121.132 120.400 0.023 0.000 2.491 668 K HA 0.227 4.548 4.320 0.002 0.000 0.279 668 K C 1.253 177.840 176.600 -0.021 0.000 1.026 668 K CA 1.217 57.507 56.287 0.005 0.000 1.070 668 K CB -0.232 32.266 32.500 -0.005 0.000 0.887 668 K HN 0.485 nan 8.250 nan 0.000 0.481 669 G N 3.217 112.008 108.800 -0.015 0.000 2.320 669 G HA2 -0.264 3.697 3.960 0.002 0.000 0.242 669 G HA3 -0.264 3.697 3.960 0.002 0.000 0.242 669 G C -0.054 174.830 174.900 -0.028 0.000 1.033 669 G CA 0.217 45.303 45.100 -0.024 0.000 0.620 669 G HN 0.662 nan 8.290 nan 0.000 0.517 670 D N 1.061 121.446 120.400 -0.026 0.000 2.360 670 D HA 0.494 5.135 4.640 0.002 0.000 0.242 670 D C 0.764 177.039 176.300 -0.041 0.000 1.184 670 D CA 0.498 54.481 54.000 -0.027 0.000 0.930 670 D CB 0.990 41.794 40.800 0.008 0.000 1.161 670 D HN 0.676 nan 8.370 nan 0.000 0.447 671 K N 0.789 121.161 120.400 -0.047 0.000 2.240 671 K HA 0.463 4.784 4.320 0.002 0.000 0.271 671 K C -1.185 175.361 176.600 -0.090 0.000 1.018 671 K CA -0.423 55.831 56.287 -0.056 0.000 0.874 671 K CB 0.561 33.041 32.500 -0.034 0.000 1.098 671 K HN 0.280 nan 8.250 nan 0.000 0.458 672 L N 5.316 126.460 121.223 -0.132 0.000 2.322 672 L HA 0.536 4.877 4.340 0.002 0.000 0.281 672 L C -0.322 176.506 176.870 -0.070 0.000 1.014 672 L CA -1.109 53.614 54.840 -0.195 0.000 0.815 672 L CB 1.308 43.099 42.059 -0.447 0.000 1.247 672 L HN 0.643 nan 8.230 nan 0.000 0.421 673 I N 1.225 121.801 120.570 0.010 0.000 2.460 673 I HA 0.217 4.388 4.170 0.002 0.000 0.298 673 I C 0.549 176.740 176.117 0.124 0.000 0.989 673 I CA -0.362 60.969 61.300 0.052 0.000 1.173 673 I CB 2.081 40.101 38.000 0.033 0.000 1.338 673 I HN 0.542 nan 8.210 nan 0.000 0.456 674 S N 5.356 121.093 115.700 0.063 0.000 2.549 674 S HA 0.172 4.643 4.470 0.002 0.000 0.283 674 S C -1.589 172.992 174.600 -0.031 0.000 1.320 674 S CA -1.026 57.191 58.200 0.028 0.000 1.058 674 S CB 0.852 64.063 63.200 0.019 0.000 0.882 674 S HN 0.354 nan 8.310 nan 0.000 0.498 675 P HA -0.043 nan 4.420 nan 0.000 0.221 675 P C 1.060 178.314 177.300 -0.075 0.000 1.145 675 P CA 0.882 63.914 63.100 -0.113 0.000 0.795 675 P CB 0.071 31.682 31.700 -0.149 0.000 0.775 676 L N -1.178 120.027 121.223 -0.029 0.000 2.141 676 L HA -0.109 4.232 4.340 0.002 0.000 0.209 676 L C 1.022 177.852 176.870 -0.068 0.000 1.094 676 L CA 1.015 55.838 54.840 -0.029 0.000 0.763 676 L CB -0.823 41.242 42.059 0.011 0.000 0.908 676 L HN -0.045 nan 8.230 nan 0.000 0.437 677 K N 2.230 122.594 120.400 -0.059 0.000 2.402 677 K HA 0.089 4.410 4.320 0.002 0.000 0.285 677 K C -0.367 176.169 176.600 -0.107 0.000 1.054 677 K CA 0.332 56.577 56.287 -0.069 0.000 1.001 677 K CB 0.367 32.841 32.500 -0.043 0.000 0.946 677 K HN 0.127 nan 8.250 nan 0.000 0.473 678 K N 1.537 121.851 120.400 -0.143 0.000 2.156 678 K HA 0.304 4.625 4.320 0.002 0.000 0.254 678 K C 0.523 176.990 176.600 -0.220 0.000 0.950 678 K CA -0.519 55.624 56.287 -0.240 0.000 0.849 678 K CB 1.800 34.125 32.500 -0.292 0.000 1.100 678 K HN 0.510 nan 8.250 nan 0.000 0.434 679 A N 2.663 125.306 122.820 -0.294 0.000 1.975 679 A HA 0.123 4.444 4.320 0.002 0.000 0.215 679 A C 0.403 177.999 177.584 0.021 0.000 1.170 679 A CA 0.805 52.785 52.037 -0.095 0.000 0.656 679 A CB -0.272 18.760 19.000 0.053 0.000 0.821 679 A HN 0.654 nan 8.150 nan 0.000 0.449 680 F N 0.000 119.944 119.950 -0.010 0.000 2.286 680 F HA 0.000 4.528 4.527 0.002 0.000 0.279 680 F CA 0.000 57.994 58.000 -0.010 0.000 1.383 680 F CB 0.000 38.995 39.000 -0.008 0.000 1.145 680 F HN 0.000 nan 8.300 nan 0.000 0.574