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 3h09_1_B DATA FIRST_RESID 26 DATA SEQUENCE ALVRDDVDYQ IFRDFAENKG RFSVGATNVE VRDKNNHSLG NVLPNGIPMI DATA SEQUENCE DFSVVDVDKR IATLINPQYV VGVKHVSNGV SELHFGNLNG NMNNGNAKSH DATA SEQUENCE RDVSSEENRY FSVEKNEYPT KLNGKAVTTE DQTQKRREDY YMPRLDKFVT DATA SEQUENCE EVAPIEASTA SSDAGTYNDQ NKYPAFVRLG SGSQFIYKKG DNYSLILNNH DATA SEQUENCE EVGGNNLKLV GDAYTYGIAG TPYKVNHENN GLIGFGNSKE EHSDPKGILS DATA SEQUENCE QDPLTNYAVL GDSGSPLFVY DREKGKWLFL GSYDFWAGYN KKSWQEWNIY DATA SEQUENCE KPEFAKTVLD KDTAGSLTGS NTQYNWNPTG KTSVISNGSE SLNVDLFDSS DATA SEQUENCE QDTDSKKNNH GKSVTLRGSG TLTLNNNIDQ GAGGLFFEGD YEVKGTSDST DATA SEQUENCE TWKGAGVSVA DGKTVTWKVH NPKSDRLAKI GKGTLIVEGK GENKGSLKVG DATA SEQUENCE DGTVILKQQA DANNKVKAFS QVGIVSGRST VVLNDDKQVD PNSIYFGFRG DATA SEQUENCE GRLDANGNNL TFEHIRNIDD GARLVNHNTS KTSTVTITGE SLITDPNTIT DATA SEQUENCE PYNIDAPDED NPYAFRRIKD GGQLYLNLEN YTYYALRKGA STRSELPKNS DATA SEQUENCE GESNENWLYM GKTSDEAKRN VMNHINNERM NGFNGYFGEE EGKNNGNLNV DATA SEQUENCE TFKGKSEQNR FLLTGGTNLN GDLKVEKGTL FLSGRPTPHA RDIAGISSTK DATA SEQUENCE KDQHFAENNE VVVEDDWINR NFKATNINVT NNATLYSGRN VANITSNITA DATA SEQUENCE SDNAKVHIGY KAGDTVCVRS DYTGYVTCTT DKLSDKALNS FNATNVSGNV DATA SEQUENCE NLSGNANFVL GKANLFGTIS GTGNSQVRLT ENSHWHLTGD SNVNQLNLDK DATA SEQUENCE GHIHLNAQND ANKVTTYNTL TVNSLSGNGS FYYLTDLSNK QGDKVVVTKS DATA SEQUENCE ATGNFTLQVA DKTGEPTKNE LTLFDASNAT RNNLNVSLVG NTVDLGAWKY DATA SEQUENCE KLRNVNGRYD LYNP 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 26 A HA 0.000 nan 4.320 nan 0.000 0.244 26 A C 0.000 177.663 177.584 0.132 0.000 1.274 26 A CA 0.000 52.003 52.037 -0.057 0.000 0.836 26 A CB 0.000 18.916 19.000 -0.141 0.000 0.831 27 L N 1.578 122.907 121.223 0.177 0.000 2.295 27 L HA 0.854 5.196 4.340 0.003 0.000 0.285 27 L C -0.199 176.735 176.870 0.108 0.000 1.035 27 L CA -0.214 54.770 54.840 0.240 0.000 0.806 27 L CB 1.587 43.833 42.059 0.311 0.000 1.214 27 L HN 1.611 nan 8.230 nan 0.000 0.426 28 V N 2.647 122.578 119.914 0.029 0.000 3.102 28 V HA 0.693 4.815 4.120 0.003 0.000 0.312 28 V C -0.202 175.901 176.094 0.014 0.000 1.135 28 V CA -1.119 61.090 62.300 -0.151 0.000 1.022 28 V CB 1.591 32.900 31.823 -0.857 0.000 1.056 28 V HN 1.053 nan 8.190 nan 0.000 0.436 29 R N 1.073 121.617 120.500 0.073 0.000 2.784 29 R HA 0.204 4.546 4.340 0.003 0.000 0.266 29 R C -0.010 176.422 176.300 0.219 0.000 1.044 29 R CA 0.576 56.775 56.100 0.165 0.000 1.151 29 R CB 0.125 30.536 30.300 0.185 0.000 1.037 29 R HN 0.914 nan 8.270 nan 0.000 0.478 30 D N -0.161 120.390 120.400 0.251 0.000 2.369 30 D HA -0.078 4.564 4.640 0.003 0.000 0.211 30 D C 0.174 176.594 176.300 0.201 0.000 1.077 30 D CA 0.005 54.142 54.000 0.229 0.000 0.842 30 D CB 0.034 40.972 40.800 0.232 0.000 0.947 30 D HN 0.717 nan 8.370 nan 0.000 0.509 31 D N 0.263 120.780 120.400 0.194 0.000 2.363 31 D HA 0.052 4.693 4.640 0.003 0.000 0.214 31 D C 0.074 176.463 176.300 0.149 0.000 1.093 31 D CA -0.344 53.746 54.000 0.150 0.000 0.837 31 D CB 0.445 41.318 40.800 0.121 0.000 0.948 31 D HN -0.005 nan 8.370 nan 0.000 0.507 32 V N 1.132 121.174 119.914 0.214 0.000 2.604 32 V HA 0.151 4.273 4.120 0.003 0.000 0.305 32 V C -0.212 176.036 176.094 0.256 0.000 1.043 32 V CA -1.118 61.298 62.300 0.193 0.000 0.888 32 V CB 1.914 33.838 31.823 0.168 0.000 0.995 32 V HN -0.012 nan 8.190 nan 0.000 0.429 33 D N 2.230 122.733 120.400 0.172 0.000 2.531 33 D HA -0.115 4.527 4.640 0.003 0.000 0.239 33 D C 0.694 177.182 176.300 0.315 0.000 1.144 33 D CA 0.480 54.596 54.000 0.192 0.000 0.869 33 D CB 0.534 41.400 40.800 0.109 0.000 1.160 33 D HN 0.558 nan 8.370 nan 0.000 0.484 34 Y N 3.214 123.634 120.300 0.200 0.000 2.256 34 Y HA -0.255 4.297 4.550 0.003 0.000 0.288 34 Y C 2.166 178.198 175.900 0.219 0.000 1.155 34 Y CA 1.873 60.125 58.100 0.253 0.000 1.203 34 Y CB -0.149 38.372 38.460 0.101 0.000 0.980 34 Y HN 0.521 nan 8.280 nan 0.000 0.530 35 Q N 0.468 120.388 119.800 0.200 0.000 2.197 35 Q HA -0.206 4.136 4.340 0.003 0.000 0.207 35 Q C 1.951 178.023 176.000 0.120 0.000 0.984 35 Q CA 2.304 58.169 55.803 0.104 0.000 0.869 35 Q CB -0.530 28.246 28.738 0.063 0.000 0.906 35 Q HN 0.672 nan 8.270 nan 0.000 0.426 36 I N -0.984 119.656 120.570 0.117 0.000 2.286 36 I HA -0.202 3.969 4.170 0.003 0.000 0.245 36 I C 1.481 177.605 176.117 0.011 0.000 1.104 36 I CA 0.775 62.146 61.300 0.118 0.000 1.397 36 I CB -0.301 37.700 38.000 0.002 0.000 1.072 36 I HN 0.141 nan 8.210 nan 0.000 0.417 37 F N 0.947 120.859 119.950 -0.063 0.000 2.171 37 F HA -0.139 4.390 4.527 0.003 0.000 0.300 37 F C 2.665 178.395 175.800 -0.116 0.000 1.090 37 F CA 1.134 59.043 58.000 -0.151 0.000 1.293 37 F CB -0.461 38.368 39.000 -0.284 0.000 1.013 37 F HN -0.097 nan 8.300 nan 0.000 0.486 38 R N 0.397 120.905 120.500 0.014 0.000 2.075 38 R HA -0.120 4.222 4.340 0.003 0.000 0.232 38 R C 1.703 178.055 176.300 0.087 0.000 1.126 38 R CA 1.457 57.548 56.100 -0.014 0.000 0.963 38 R CB -0.974 29.269 30.300 -0.095 0.000 0.858 38 R HN 0.256 nan 8.270 nan 0.000 0.435 39 D N 0.180 120.687 120.400 0.179 0.000 2.144 39 D HA -0.137 4.505 4.640 0.003 0.000 0.199 39 D C 1.661 178.160 176.300 0.331 0.000 0.984 39 D CA 0.738 54.910 54.000 0.286 0.000 0.834 39 D CB -0.330 40.726 40.800 0.425 0.000 0.955 39 D HN 0.052 nan 8.370 nan 0.000 0.465 40 F N 1.703 121.657 119.950 0.006 0.000 2.095 40 F HA -0.186 4.342 4.527 0.003 0.000 0.298 40 F C 2.247 178.053 175.800 0.010 0.000 1.104 40 F CA 1.520 59.327 58.000 -0.323 0.000 1.232 40 F CB -0.372 38.242 39.000 -0.643 0.000 0.987 40 F HN -0.055 nan 8.300 nan 0.000 0.475 41 A N -0.439 122.416 122.820 0.059 0.000 1.940 41 A HA -0.196 4.126 4.320 0.003 0.000 0.219 41 A C 1.903 179.451 177.584 -0.060 0.000 1.176 41 A CA 1.937 53.887 52.037 -0.144 0.000 0.631 41 A CB -0.680 18.253 19.000 -0.111 0.000 0.814 41 A HN 0.581 nan 8.150 nan 0.000 0.446 42 E N -1.148 119.073 120.200 0.036 0.000 2.476 42 E HA 0.107 4.459 4.350 0.003 0.000 0.196 42 E C -0.575 176.077 176.600 0.086 0.000 1.029 42 E CA -0.159 56.274 56.400 0.056 0.000 0.896 42 E CB -0.055 29.670 29.700 0.042 0.000 1.012 42 E HN 0.692 nan 8.360 nan 0.000 0.475 43 N N 1.647 120.401 118.700 0.089 0.000 2.721 43 N HA -0.206 4.536 4.740 0.003 0.000 0.249 43 N C -0.733 174.820 175.510 0.073 0.000 1.072 43 N CA 0.803 53.889 53.050 0.061 0.000 0.710 43 N CB -0.537 37.959 38.487 0.013 0.000 0.993 43 N HN 0.142 nan 8.380 nan 0.000 0.547 44 K N -0.624 119.843 120.400 0.111 0.000 2.354 44 K HA 0.695 5.017 4.320 0.003 0.000 0.238 44 K C 1.353 177.970 176.600 0.029 0.000 1.068 44 K CA -0.421 55.883 56.287 0.028 0.000 0.925 44 K CB 0.757 33.262 32.500 0.009 0.000 1.286 44 K HN 0.115 nan 8.250 nan 0.000 0.500 45 G N 1.392 110.088 108.800 -0.173 0.000 2.611 45 G HA2 -0.401 3.561 3.960 0.003 0.000 0.301 45 G HA3 -0.401 3.561 3.960 0.003 0.000 0.301 45 G C 0.491 175.261 174.900 -0.216 0.000 1.233 45 G CA 0.871 45.844 45.100 -0.212 0.000 0.993 45 G HN 0.792 nan 8.290 nan 0.000 0.553 46 R N 0.211 120.488 120.500 -0.373 0.000 2.313 46 R HA 0.309 4.650 4.340 0.003 0.000 0.199 46 R C 0.812 176.784 176.300 -0.547 0.000 0.958 46 R CA 1.075 56.880 56.100 -0.491 0.000 1.047 46 R CB -0.151 29.789 30.300 -0.600 0.000 0.955 46 R HN 0.334 nan 8.270 nan 0.000 0.481 47 F N 2.237 122.196 119.950 0.014 0.000 2.925 47 F HA 0.234 4.762 4.527 0.003 0.000 0.302 47 F C 0.432 176.189 175.800 -0.072 0.000 1.189 47 F CA -1.096 56.902 58.000 -0.003 0.000 1.346 47 F CB 0.065 39.095 39.000 0.049 0.000 0.954 47 F HN -0.009 nan 8.300 nan 0.000 0.506 48 S N -0.682 115.029 115.700 0.019 0.000 2.573 48 S HA 0.246 4.718 4.470 0.003 0.000 0.277 48 S C 0.267 174.849 174.600 -0.031 0.000 1.346 48 S CA -0.958 57.230 58.200 -0.020 0.000 1.034 48 S CB 0.985 64.154 63.200 -0.051 0.000 0.879 48 S HN 0.037 nan 8.310 nan 0.000 0.528 49 V N 3.100 122.979 119.914 -0.059 0.000 2.644 49 V HA 0.399 4.521 4.120 0.003 0.000 0.305 49 V C 1.755 177.821 176.094 -0.047 0.000 1.053 49 V CA 1.437 63.687 62.300 -0.084 0.000 1.186 49 V CB -0.434 31.339 31.823 -0.083 0.000 0.895 49 V HN 1.507 nan 8.190 nan 0.000 0.490 50 G N 3.449 112.232 108.800 -0.028 0.000 2.195 50 G HA2 -0.130 3.832 3.960 0.003 0.000 0.246 50 G HA3 -0.130 3.832 3.960 0.003 0.000 0.246 50 G C 0.477 175.385 174.900 0.013 0.000 0.984 50 G CA 0.171 45.274 45.100 0.006 0.000 0.633 50 G HN 1.637 nan 8.290 nan 0.000 0.525 51 A N 0.676 123.504 122.820 0.013 0.000 2.511 51 A HA 0.611 4.933 4.320 0.003 0.000 0.242 51 A C 0.883 178.497 177.584 0.049 0.000 1.069 51 A CA 1.609 53.659 52.037 0.023 0.000 0.763 51 A CB 0.122 19.136 19.000 0.024 0.000 1.001 51 A HN 1.844 nan 8.150 nan 0.000 0.498 52 T N -0.069 114.504 114.554 0.031 0.000 2.908 52 T HA 0.565 4.917 4.350 0.003 0.000 0.290 52 T C -0.209 174.509 174.700 0.030 0.000 1.034 52 T CA -0.796 61.322 62.100 0.031 0.000 1.010 52 T CB 1.067 69.938 68.868 0.004 0.000 1.068 52 T HN 0.801 nan 8.240 nan 0.000 0.481 53 N N -0.119 118.603 118.700 0.036 0.000 2.714 53 N HA -0.117 4.625 4.740 0.003 0.000 0.253 53 N C -0.688 174.846 175.510 0.039 0.000 1.024 53 N CA 0.360 53.428 53.050 0.031 0.000 0.726 53 N CB -1.511 36.983 38.487 0.010 0.000 0.908 53 N HN 0.649 nan 8.380 nan 0.000 0.542 54 V N 0.374 120.335 119.914 0.078 0.000 2.364 54 V HA 0.164 4.286 4.120 0.003 0.000 0.272 54 V C 0.915 177.056 176.094 0.078 0.000 1.036 54 V CA -0.616 61.725 62.300 0.069 0.000 0.880 54 V CB 1.722 33.624 31.823 0.131 0.000 0.991 54 V HN 0.253 nan 8.190 nan 0.000 0.460 55 E N 4.020 124.236 120.200 0.027 0.000 2.354 55 E HA 0.445 4.797 4.350 0.003 0.000 0.269 55 E C -1.253 175.368 176.600 0.035 0.000 1.036 55 E CA -0.369 56.049 56.400 0.030 0.000 0.876 55 E CB 1.549 31.258 29.700 0.014 0.000 1.009 55 E HN 0.476 nan 8.360 nan 0.000 0.416 56 V N 4.984 124.922 119.914 0.040 0.000 2.540 56 V HA 0.417 4.539 4.120 0.003 0.000 0.302 56 V C -0.256 175.850 176.094 0.020 0.000 1.035 56 V CA -0.670 61.648 62.300 0.030 0.000 0.873 56 V CB 1.733 33.556 31.823 -0.000 0.000 0.992 56 V HN 0.706 nan 8.190 nan 0.000 0.428 57 R N 2.294 122.805 120.500 0.018 0.000 2.604 57 R HA 0.508 4.850 4.340 0.003 0.000 0.287 57 R C -0.673 175.641 176.300 0.024 0.000 0.970 57 R CA -0.842 55.274 56.100 0.026 0.000 0.946 57 R CB 1.505 31.816 30.300 0.017 0.000 1.127 57 R HN 0.885 nan 8.270 nan 0.000 0.473 58 D N 1.010 121.432 120.400 0.037 0.000 2.414 58 D HA 0.001 4.643 4.640 0.003 0.000 0.259 58 D C 0.239 176.544 176.300 0.008 0.000 1.269 58 D CA -0.349 53.675 54.000 0.041 0.000 1.028 58 D CB 0.636 41.478 40.800 0.070 0.000 1.093 58 D HN 0.293 nan 8.370 nan 0.000 0.545 59 K N -1.129 119.284 120.400 0.021 0.000 2.504 59 K HA 0.024 4.346 4.320 0.003 0.000 0.195 59 K C 0.531 177.101 176.600 -0.051 0.000 1.036 59 K CA 0.348 56.639 56.287 0.005 0.000 0.984 59 K CB -0.085 32.438 32.500 0.038 0.000 0.788 59 K HN 0.301 nan 8.250 nan 0.000 0.488 60 N N 1.091 119.720 118.700 -0.118 0.000 2.268 60 N HA -0.033 4.708 4.740 0.003 0.000 0.204 60 N C -0.156 175.079 175.510 -0.458 0.000 1.124 60 N CA 0.170 53.053 53.050 -0.279 0.000 0.838 60 N CB 0.435 38.721 38.487 -0.336 0.000 0.994 60 N HN 0.103 nan 8.380 nan 0.000 0.489 61 N N 0.837 119.392 118.700 -0.242 0.000 2.782 61 N HA -0.204 4.538 4.740 0.003 0.000 0.251 61 N C -1.096 174.350 175.510 -0.106 0.000 1.101 61 N CA 0.637 53.594 53.050 -0.154 0.000 0.764 61 N CB -1.810 36.610 38.487 -0.113 0.000 1.122 61 N HN 0.568 nan 8.380 nan 0.000 0.561 62 H N -0.047 119.036 119.070 0.022 0.000 2.527 62 H HA 0.301 4.859 4.556 0.003 0.000 0.321 62 H C 0.364 175.703 175.328 0.018 0.000 1.087 62 H CA -0.233 55.827 56.048 0.020 0.000 1.337 62 H CB 1.117 30.891 29.762 0.021 0.000 1.440 62 H HN 0.103 nan 8.280 nan 0.000 0.490 63 S N 2.850 118.634 115.700 0.140 0.000 2.537 63 S HA 0.010 4.482 4.470 0.003 0.000 0.286 63 S C 0.978 175.620 174.600 0.070 0.000 1.299 63 S CA -0.551 57.696 58.200 0.078 0.000 1.067 63 S CB 0.192 63.426 63.200 0.056 0.000 0.864 63 S HN 0.569 nan 8.310 nan 0.000 0.494 64 L N 4.971 126.225 121.223 0.051 0.000 2.700 64 L HA 0.335 4.676 4.340 0.003 0.000 0.234 64 L C 1.403 178.291 176.870 0.030 0.000 1.156 64 L CA 0.116 54.980 54.840 0.040 0.000 0.946 64 L CB -1.181 40.897 42.059 0.030 0.000 1.216 64 L HN 1.037 nan 8.230 nan 0.000 0.493 65 G N 0.801 109.620 108.800 0.031 0.000 2.642 65 G HA2 -0.251 3.711 3.960 0.003 0.000 0.231 65 G HA3 -0.251 3.711 3.960 0.003 0.000 0.231 65 G C -0.405 174.513 174.900 0.030 0.000 1.338 65 G CA -0.665 44.452 45.100 0.028 0.000 0.883 65 G HN 0.267 nan 8.290 nan 0.000 0.570 66 N N 0.130 118.850 118.700 0.033 0.000 2.508 66 N HA 0.415 5.157 4.740 0.003 0.000 0.285 66 N C 1.777 177.315 175.510 0.047 0.000 1.144 66 N CA 0.092 53.170 53.050 0.048 0.000 0.978 66 N CB 1.577 40.092 38.487 0.047 0.000 1.180 66 N HN 1.255 nan 8.380 nan 0.000 0.484 67 V N -0.751 119.205 119.914 0.071 0.000 2.548 67 V HA 0.122 4.244 4.120 0.003 0.000 0.249 67 V C 0.725 176.844 176.094 0.043 0.000 1.055 67 V CA 1.278 63.582 62.300 0.006 0.000 1.065 67 V CB -0.478 31.320 31.823 -0.042 0.000 0.681 67 V HN 0.376 nan 8.190 nan 0.000 0.462 68 L N -0.205 121.079 121.223 0.103 0.000 2.323 68 L HA 0.613 4.955 4.340 0.003 0.000 0.265 68 L C -2.500 174.405 176.870 0.057 0.000 1.012 68 L CA -2.246 52.665 54.840 0.117 0.000 0.820 68 L CB 2.117 44.288 42.059 0.186 0.000 1.334 68 L HN -0.051 nan 8.230 nan 0.000 0.427 69 P HA 0.048 nan 4.420 nan 0.000 0.271 69 P C -1.119 176.155 177.300 -0.044 0.000 1.233 69 P CA -0.482 62.613 63.100 -0.007 0.000 0.789 69 P CB 0.261 31.948 31.700 -0.022 0.000 0.951 70 N N 1.109 119.789 118.700 -0.034 0.000 2.294 70 N HA 0.057 4.799 4.740 0.003 0.000 0.263 70 N C 1.588 177.053 175.510 -0.076 0.000 1.281 70 N CA 1.826 54.852 53.050 -0.039 0.000 0.846 70 N CB -0.591 37.880 38.487 -0.027 0.000 1.061 70 N HN 0.783 nan 8.380 nan 0.000 0.478 71 G N 1.330 110.091 108.800 -0.065 0.000 2.189 71 G HA2 -0.271 3.690 3.960 0.003 0.000 0.267 71 G HA3 -0.271 3.690 3.960 0.003 0.000 0.267 71 G C 0.150 174.959 174.900 -0.151 0.000 0.975 71 G CA -0.150 44.901 45.100 -0.082 0.000 0.644 71 G HN 0.547 nan 8.290 nan 0.000 0.537 72 I N 2.823 123.258 120.570 -0.225 0.000 2.452 72 I HA 0.276 4.448 4.170 0.003 0.000 0.287 72 I C -1.521 174.511 176.117 -0.141 0.000 1.079 72 I CA -2.945 58.102 61.300 -0.422 0.000 1.387 72 I CB 0.239 37.934 38.000 -0.508 0.000 1.404 72 I HN -0.031 nan 8.210 nan 0.000 0.522 73 P HA 0.182 nan 4.420 nan 0.000 0.277 73 P C -0.275 177.170 177.300 0.242 0.000 1.240 73 P CA -0.806 62.349 63.100 0.093 0.000 0.798 73 P CB 0.668 32.431 31.700 0.105 0.000 0.979 74 M N 2.965 122.635 119.600 0.116 0.000 2.248 74 M HA 0.120 4.602 4.480 0.003 0.000 0.345 74 M C -0.094 176.081 176.300 -0.208 0.000 1.243 74 M CA -0.093 55.187 55.300 -0.034 0.000 1.090 74 M CB -0.697 31.878 32.600 -0.042 0.000 1.683 74 M HN 0.320 nan 8.290 nan 0.000 0.450 75 I N 3.580 123.723 120.570 -0.711 0.000 2.779 75 I HA 0.061 4.233 4.170 0.003 0.000 0.285 75 I C -0.105 175.516 176.117 -0.828 0.000 1.134 75 I CA -0.054 60.622 61.300 -1.041 0.000 1.398 75 I CB 0.535 37.322 38.000 -2.021 0.000 1.404 75 I HN 0.646 nan 8.210 nan 0.000 0.587 76 D N 5.984 126.046 120.400 -0.563 0.000 2.393 76 D HA 0.083 4.724 4.640 0.003 0.000 0.232 76 D C 0.338 176.403 176.300 -0.392 0.000 1.192 76 D CA 0.003 53.783 54.000 -0.367 0.000 0.882 76 D CB 0.256 40.961 40.800 -0.159 0.000 1.038 76 D HN 0.310 nan 8.370 nan 0.000 0.499 77 F N 1.455 121.214 119.950 -0.318 0.000 2.802 77 F HA -0.004 4.525 4.527 0.003 0.000 0.300 77 F C 2.368 178.106 175.800 -0.103 0.000 1.168 77 F CA 0.153 57.983 58.000 -0.284 0.000 1.433 77 F CB -0.201 38.638 39.000 -0.268 0.000 1.115 77 F HN 0.283 nan 8.300 nan 0.000 0.582 78 S N -0.296 115.475 115.700 0.120 0.000 2.603 78 S HA -0.063 4.409 4.470 0.003 0.000 0.229 78 S C 2.220 176.914 174.600 0.156 0.000 0.972 78 S CA 0.813 59.087 58.200 0.122 0.000 0.935 78 S CB -0.395 62.929 63.200 0.205 0.000 0.769 78 S HN 0.336 nan 8.310 nan 0.000 0.536 79 V N -1.049 118.953 119.914 0.146 0.000 3.305 79 V HA 0.154 4.275 4.120 0.003 0.000 0.269 79 V C 0.595 176.884 176.094 0.326 0.000 1.157 79 V CA 0.169 62.572 62.300 0.172 0.000 1.157 79 V CB -0.925 30.970 31.823 0.119 0.000 0.772 79 V HN 0.175 nan 8.190 nan 0.000 0.498 80 V N 3.437 123.527 119.914 0.293 0.000 2.427 80 V HA 0.296 4.417 4.120 0.003 0.000 0.286 80 V C 0.258 176.372 176.094 0.034 0.000 1.034 80 V CA -0.846 61.589 62.300 0.226 0.000 0.893 80 V CB 1.411 33.348 31.823 0.189 0.000 0.982 80 V HN 0.655 nan 8.190 nan 0.000 0.452 81 D N 4.011 124.297 120.400 -0.191 0.000 2.449 81 D HA -0.018 4.624 4.640 0.003 0.000 0.236 81 D C 1.158 177.268 176.300 -0.316 0.000 1.149 81 D CA 0.072 53.684 54.000 -0.647 0.000 0.878 81 D CB 2.040 42.461 40.800 -0.631 0.000 1.198 81 D HN 0.408 nan 8.370 nan 0.000 0.446 82 V N -0.886 118.845 119.914 -0.305 0.000 2.878 82 V HA -0.083 4.039 4.120 0.003 0.000 0.250 82 V C 1.259 177.285 176.094 -0.114 0.000 1.075 82 V CA 1.055 63.254 62.300 -0.167 0.000 1.096 82 V CB -0.249 31.488 31.823 -0.144 0.000 0.724 82 V HN 0.384 nan 8.190 nan 0.000 0.467 83 D N 0.877 121.211 120.400 -0.110 0.000 2.216 83 D HA 0.064 4.706 4.640 0.003 0.000 0.208 83 D C 2.066 178.355 176.300 -0.017 0.000 0.960 83 D CA 1.343 55.306 54.000 -0.063 0.000 0.861 83 D CB 0.188 40.951 40.800 -0.061 0.000 0.985 83 D HN 0.514 nan 8.370 nan 0.000 0.493 84 K N -0.764 119.618 120.400 -0.030 0.000 2.474 84 K HA 0.211 4.532 4.320 0.003 0.000 0.204 84 K C -0.127 176.508 176.600 0.057 0.000 1.220 84 K CA -0.243 56.080 56.287 0.059 0.000 0.966 84 K CB 1.306 33.763 32.500 -0.072 0.000 1.049 84 K HN -0.248 nan 8.250 nan 0.000 0.554 85 R N 0.641 121.127 120.500 -0.023 0.000 3.422 85 R HA -0.146 4.196 4.340 0.003 0.000 0.267 85 R C 0.152 176.466 176.300 0.023 0.000 1.074 85 R CA 0.779 56.867 56.100 -0.020 0.000 0.718 85 R CB -2.345 27.925 30.300 -0.050 0.000 1.157 85 R HN 0.397 nan 8.270 nan 0.000 0.440 86 I N -4.925 115.661 120.570 0.027 0.000 4.081 86 I HA 0.588 4.760 4.170 0.003 0.000 0.333 86 I C 0.358 176.525 176.117 0.084 0.000 1.413 86 I CA -0.146 61.188 61.300 0.057 0.000 1.110 86 I CB 1.158 39.185 38.000 0.044 0.000 1.082 86 I HN 0.127 nan 8.210 nan 0.000 0.402 87 A N 0.072 122.931 122.820 0.066 0.000 2.427 87 A HA 0.858 5.179 4.320 0.003 0.000 0.298 87 A C -0.510 177.143 177.584 0.115 0.000 1.036 87 A CA -0.319 51.770 52.037 0.085 0.000 0.701 87 A CB 1.020 20.061 19.000 0.068 0.000 1.250 87 A HN 0.119 nan 8.150 nan 0.000 0.412 88 T N 2.310 116.891 114.554 0.044 0.000 2.812 88 T HA 0.451 4.802 4.350 0.003 0.000 0.282 88 T C -0.626 174.012 174.700 -0.104 0.000 0.990 88 T CA -0.305 61.796 62.100 0.001 0.000 0.960 88 T CB 1.174 69.933 68.868 -0.182 0.000 0.948 88 T HN 0.610 nan 8.240 nan 0.000 0.438 89 L N 5.135 126.334 121.223 -0.039 0.000 2.407 89 L HA 0.327 4.669 4.340 0.003 0.000 0.282 89 L C 0.492 177.267 176.870 -0.159 0.000 1.110 89 L CA -0.066 54.672 54.840 -0.169 0.000 0.863 89 L CB -0.130 41.720 42.059 -0.349 0.000 1.207 89 L HN 0.687 nan 8.230 nan 0.000 0.454 90 I N 1.494 121.968 120.570 -0.159 0.000 4.082 90 I HA 0.440 4.612 4.170 0.003 0.000 0.337 90 I C 0.116 176.199 176.117 -0.057 0.000 1.352 90 I CA 0.003 61.217 61.300 -0.144 0.000 1.097 90 I CB -0.584 37.268 38.000 -0.247 0.000 1.048 90 I HN 0.531 nan 8.210 nan 0.000 0.393 91 N N 0.551 119.233 118.700 -0.029 0.000 2.598 91 N HA 0.301 5.042 4.740 0.003 0.000 0.263 91 N C -2.593 172.894 175.510 -0.038 0.000 1.254 91 N CA -1.179 51.879 53.050 0.014 0.000 0.863 91 N CB 2.503 41.075 38.487 0.142 0.000 1.586 91 N HN -0.360 nan 8.380 nan 0.000 0.491 92 P HA -0.067 nan 4.420 nan 0.000 0.221 92 P C 0.493 177.716 177.300 -0.128 0.000 1.145 92 P CA 1.393 64.389 63.100 -0.172 0.000 0.795 92 P CB 0.369 31.883 31.700 -0.310 0.000 0.775 93 Q N -2.773 117.018 119.800 -0.014 0.000 2.189 93 Q HA 0.138 4.480 4.340 0.003 0.000 0.223 93 Q C -0.701 175.084 176.000 -0.360 0.000 0.828 93 Q CA -0.081 55.668 55.803 -0.090 0.000 0.967 93 Q CB 0.443 29.198 28.738 0.030 0.000 1.139 93 Q HN 0.222 nan 8.270 nan 0.000 0.497 94 Y N -0.735 119.531 120.300 -0.057 0.000 2.492 94 Y HA 0.442 4.994 4.550 0.003 0.000 0.346 94 Y C -0.213 175.639 175.900 -0.081 0.000 0.997 94 Y CA -1.256 56.819 58.100 -0.043 0.000 1.025 94 Y CB 1.726 40.183 38.460 -0.006 0.000 1.263 94 Y HN -0.160 nan 8.280 nan 0.000 0.454 95 V N -0.196 119.765 119.914 0.079 0.000 3.096 95 V HA 0.899 5.021 4.120 0.003 0.000 0.319 95 V C -0.955 175.149 176.094 0.017 0.000 1.103 95 V CA -0.987 61.320 62.300 0.013 0.000 1.016 95 V CB 1.741 33.584 31.823 0.034 0.000 1.090 95 V HN 0.492 nan 8.190 nan 0.000 0.449 96 V N 0.788 120.662 119.914 -0.065 0.000 2.823 96 V HA 1.009 5.131 4.120 0.003 0.000 0.312 96 V C 0.602 176.725 176.094 0.050 0.000 1.072 96 V CA 0.629 62.903 62.300 -0.042 0.000 0.937 96 V CB 1.368 33.153 31.823 -0.064 0.000 1.013 96 V HN 1.532 nan 8.190 nan 0.000 0.430 97 G N 1.802 110.685 108.800 0.138 0.000 2.578 97 G HA2 0.633 4.594 3.960 0.003 0.000 0.302 97 G HA3 0.633 4.594 3.960 0.003 0.000 0.302 97 G C -1.184 173.606 174.900 -0.184 0.000 1.243 97 G CA 0.182 45.369 45.100 0.146 0.000 0.843 97 G HN 1.278 nan 8.290 nan 0.000 0.486 98 V N -0.907 118.752 119.914 -0.425 0.000 2.581 98 V HA 0.649 4.770 4.120 0.003 0.000 0.303 98 V C 1.242 176.695 176.094 -1.069 0.000 1.041 98 V CA 0.091 62.050 62.300 -0.568 0.000 0.907 98 V CB 1.566 33.205 31.823 -0.307 0.000 0.994 98 V HN 1.072 nan 8.190 nan 0.000 0.442 99 K N 2.832 122.769 120.400 -0.772 0.000 2.283 99 K HA -0.157 4.165 4.320 0.003 0.000 0.202 99 K C 1.646 178.083 176.600 -0.271 0.000 1.048 99 K CA 1.662 57.575 56.287 -0.623 0.000 0.948 99 K CB -0.462 31.964 32.500 -0.124 0.000 0.742 99 K HN 0.998 nan 8.250 nan 0.000 0.458 100 H N 0.567 119.515 119.070 -0.204 0.000 2.521 100 H HA 0.021 4.579 4.556 0.003 0.000 0.286 100 H C -0.094 175.199 175.328 -0.059 0.000 1.034 100 H CA 0.488 56.482 56.048 -0.090 0.000 1.278 100 H CB 0.015 29.739 29.762 -0.063 0.000 1.386 100 H HN 0.020 nan 8.280 nan 0.000 0.567 101 V N 3.666 123.350 119.914 -0.383 0.000 2.174 101 V HA 0.002 4.123 4.120 0.003 0.000 0.259 101 V C 1.229 177.316 176.094 -0.011 0.000 1.261 101 V CA 0.478 62.660 62.300 -0.196 0.000 1.137 101 V CB 0.486 32.160 31.823 -0.250 0.000 1.290 101 V HN 0.520 nan 8.190 nan 0.000 0.486 102 S N 1.183 116.914 115.700 0.052 0.000 2.548 102 S HA 0.041 4.512 4.470 0.003 0.000 0.215 102 S C 1.103 175.767 174.600 0.107 0.000 0.976 102 S CA 0.369 58.649 58.200 0.132 0.000 0.908 102 S CB -0.269 62.998 63.200 0.110 0.000 0.781 102 S HN 0.738 nan 8.310 nan 0.000 0.519 103 N N 1.166 119.898 118.700 0.053 0.000 2.415 103 N HA 0.151 4.893 4.740 0.003 0.000 0.174 103 N C 1.894 177.401 175.510 -0.005 0.000 1.048 103 N CA 0.423 53.487 53.050 0.023 0.000 0.895 103 N CB -0.221 38.266 38.487 0.000 0.000 1.036 103 N HN 0.497 nan 8.380 nan 0.000 0.449 104 G N 1.268 110.049 108.800 -0.030 0.000 2.442 104 G HA2 -0.207 3.755 3.960 0.003 0.000 0.219 104 G HA3 -0.207 3.755 3.960 0.003 0.000 0.219 104 G C 1.407 176.282 174.900 -0.041 0.000 1.141 104 G CA 1.186 46.234 45.100 -0.088 0.000 0.763 104 G HN 0.287 nan 8.290 nan 0.000 0.554 105 V N -2.304 117.612 119.914 0.004 0.000 3.577 105 V HA 0.331 4.452 4.120 0.003 0.000 0.294 105 V C 2.142 178.229 176.094 -0.012 0.000 1.317 105 V CA 1.006 63.286 62.300 -0.034 0.000 1.169 105 V CB 0.261 32.008 31.823 -0.127 0.000 1.011 105 V HN 0.160 nan 8.190 nan 0.000 0.426 106 S N 0.695 116.412 115.700 0.028 0.000 2.399 106 S HA -0.065 4.406 4.470 0.003 0.000 0.231 106 S C 0.911 175.614 174.600 0.171 0.000 1.022 106 S CA 1.430 59.690 58.200 0.100 0.000 0.983 106 S CB -0.115 63.146 63.200 0.102 0.000 0.803 106 S HN 0.901 nan 8.310 nan 0.000 0.480 107 E N 0.092 120.324 120.200 0.053 0.000 2.263 107 E HA 0.526 4.878 4.350 0.003 0.000 0.268 107 E C -1.635 174.873 176.600 -0.153 0.000 0.884 107 E CA -0.462 55.866 56.400 -0.119 0.000 0.766 107 E CB 0.981 30.639 29.700 -0.071 0.000 1.196 107 E HN 0.190 nan 8.360 nan 0.000 0.416 108 L N 3.487 124.560 121.223 -0.251 0.000 2.371 108 L HA 0.573 4.914 4.340 0.003 0.000 0.262 108 L C -0.502 176.164 176.870 -0.340 0.000 1.006 108 L CA -0.995 53.711 54.840 -0.222 0.000 0.818 108 L CB 2.285 44.239 42.059 -0.174 0.000 1.354 108 L HN 0.546 nan 8.230 nan 0.000 0.415 109 H N 1.349 120.229 119.070 -0.317 0.000 2.637 109 H HA 0.532 5.090 4.556 0.003 0.000 0.363 109 H C -1.469 173.591 175.328 -0.445 0.000 1.131 109 H CA -0.427 55.501 56.048 -0.201 0.000 1.183 109 H CB 2.611 32.283 29.762 -0.151 0.000 1.637 109 H HN 0.275 nan 8.280 nan 0.000 0.531 110 F N -0.158 119.858 119.950 0.110 0.000 2.563 110 F HA 0.464 4.993 4.527 0.003 0.000 0.316 110 F C 1.106 176.784 175.800 -0.203 0.000 1.076 110 F CA 0.646 58.614 58.000 -0.052 0.000 0.921 110 F CB 2.056 41.016 39.000 -0.067 0.000 1.209 110 F HN 0.872 nan 8.300 nan 0.000 0.462 111 G N 2.145 110.727 108.800 -0.364 0.000 2.947 111 G HA2 -0.242 3.720 3.960 0.003 0.000 0.251 111 G HA3 -0.242 3.720 3.960 0.003 0.000 0.251 111 G C -0.477 173.791 174.900 -1.054 0.000 1.481 111 G CA -0.286 44.004 45.100 -1.350 0.000 1.006 111 G HN 0.928 nan 8.290 nan 0.000 0.561 112 N N 2.084 120.544 118.700 -0.400 0.000 2.479 112 N HA 0.276 5.018 4.740 0.003 0.000 0.257 112 N C 0.519 176.020 175.510 -0.014 0.000 1.232 112 N CA -0.050 53.004 53.050 0.006 0.000 0.920 112 N CB 0.836 39.419 38.487 0.160 0.000 1.105 112 N HN 0.660 nan 8.380 nan 0.000 0.444 113 L N 1.219 122.475 121.223 0.054 0.000 2.437 113 L HA 0.201 4.543 4.340 0.003 0.000 0.243 113 L C -0.488 176.457 176.870 0.125 0.000 1.346 113 L CA -0.180 54.678 54.840 0.031 0.000 1.233 113 L CB -1.282 40.774 42.059 -0.004 0.000 1.436 113 L HN 0.426 nan 8.230 nan 0.000 0.416 114 N N 0.611 119.354 118.700 0.071 0.000 2.430 114 N HA 0.700 5.442 4.740 0.003 0.000 0.290 114 N C 0.037 175.431 175.510 -0.195 0.000 1.063 114 N CA -0.428 52.657 53.050 0.058 0.000 0.883 114 N CB 2.311 40.846 38.487 0.079 0.000 1.465 114 N HN 0.281 nan 8.380 nan 0.000 0.493 115 G N 0.277 108.882 108.800 -0.325 0.000 3.107 115 G HA2 0.241 4.203 3.960 0.003 0.000 0.233 115 G HA3 0.241 4.203 3.960 0.003 0.000 0.233 115 G C -1.114 173.426 174.900 -0.600 0.000 1.168 115 G CA -0.514 44.075 45.100 -0.850 0.000 0.801 115 G HN 0.501 nan 8.290 nan 0.000 0.605 116 N N -0.286 118.179 118.700 -0.392 0.000 2.479 116 N HA 0.026 4.768 4.740 0.003 0.000 0.257 116 N C 1.288 176.767 175.510 -0.053 0.000 1.232 116 N CA -0.318 52.675 53.050 -0.096 0.000 0.920 116 N CB 1.301 39.793 38.487 0.008 0.000 1.105 116 N HN 0.294 nan 8.380 nan 0.000 0.444 117 M N 2.937 122.532 119.600 -0.008 0.000 2.446 117 M HA -0.056 4.426 4.480 0.003 0.000 0.263 117 M C 1.117 177.425 176.300 0.013 0.000 1.066 117 M CA 1.472 56.775 55.300 0.005 0.000 1.087 117 M CB -0.268 32.341 32.600 0.015 0.000 1.406 117 M HN 0.567 nan 8.290 nan 0.000 0.459 118 N N -0.669 118.039 118.700 0.013 0.000 2.412 118 N HA 0.029 4.770 4.740 0.003 0.000 0.184 118 N C -0.210 175.314 175.510 0.024 0.000 1.101 118 N CA -0.043 53.019 53.050 0.020 0.000 0.881 118 N CB 0.168 38.667 38.487 0.020 0.000 0.969 118 N HN 0.495 nan 8.380 nan 0.000 0.459 119 N N -1.242 117.467 118.700 0.015 0.000 2.992 119 N HA 0.268 5.010 4.740 0.003 0.000 0.338 119 N C 1.040 176.567 175.510 0.028 0.000 1.376 119 N CA -0.605 52.459 53.050 0.023 0.000 0.778 119 N CB 0.343 38.834 38.487 0.007 0.000 1.232 119 N HN -0.144 nan 8.380 nan 0.000 0.581 120 G N -0.901 107.915 108.800 0.027 0.000 2.985 120 G HA2 -0.017 3.944 3.960 0.003 0.000 0.209 120 G HA3 -0.017 3.944 3.960 0.003 0.000 0.209 120 G C 0.006 174.922 174.900 0.027 0.000 1.165 120 G CA 0.173 45.295 45.100 0.037 0.000 0.776 120 G HN 0.391 nan 8.290 nan 0.000 0.541 121 N N 0.623 119.345 118.700 0.038 0.000 2.541 121 N HA 0.243 4.985 4.740 0.003 0.000 0.297 121 N C 1.412 177.032 175.510 0.185 0.000 1.503 121 N CA 0.200 53.317 53.050 0.113 0.000 0.919 121 N CB 1.237 39.743 38.487 0.030 0.000 1.305 121 N HN 0.160 nan 8.380 nan 0.000 0.501 122 A N 0.613 123.528 122.820 0.158 0.000 2.067 122 A HA -0.050 4.272 4.320 0.003 0.000 0.219 122 A C 1.144 178.747 177.584 0.033 0.000 1.158 122 A CA 0.892 52.969 52.037 0.067 0.000 0.661 122 A CB 0.020 19.051 19.000 0.051 0.000 0.801 122 A HN 0.115 nan 8.150 nan 0.000 0.452 123 K N 1.273 121.690 120.400 0.028 0.000 2.326 123 K HA 0.331 4.653 4.320 0.003 0.000 0.275 123 K C -0.349 176.112 176.600 -0.232 0.000 1.018 123 K CA -0.106 56.053 56.287 -0.213 0.000 0.962 123 K CB 0.715 32.884 32.500 -0.552 0.000 0.953 123 K HN 0.235 nan 8.250 nan 0.000 0.475 124 S N 1.309 116.915 115.700 -0.157 0.000 2.616 124 S HA 0.069 4.541 4.470 0.003 0.000 0.277 124 S C -0.169 174.363 174.600 -0.112 0.000 1.234 124 S CA -0.753 57.393 58.200 -0.090 0.000 1.028 124 S CB 0.687 63.864 63.200 -0.039 0.000 0.988 124 S HN 0.468 nan 8.310 nan 0.000 0.522 125 H N 2.840 121.841 119.070 -0.116 0.000 2.764 125 H HA 0.080 4.638 4.556 0.003 0.000 0.341 125 H C 1.594 176.855 175.328 -0.112 0.000 1.072 125 H CA 0.086 56.071 56.048 -0.106 0.000 1.444 125 H CB 0.560 30.293 29.762 -0.048 0.000 1.458 125 H HN 0.766 nan 8.280 nan 0.000 0.572 126 R N 2.758 123.081 120.500 -0.294 0.000 2.152 126 R HA -0.107 4.235 4.340 0.003 0.000 0.232 126 R C 0.029 176.341 176.300 0.019 0.000 1.117 126 R CA 1.661 57.647 56.100 -0.190 0.000 0.981 126 R CB 0.169 30.126 30.300 -0.572 0.000 0.870 126 R HN 0.409 nan 8.270 nan 0.000 0.451 127 D N 0.282 120.848 120.400 0.278 0.000 2.346 127 D HA 0.137 4.779 4.640 0.003 0.000 0.206 127 D C -0.358 175.965 176.300 0.039 0.000 1.001 127 D CA 0.469 54.598 54.000 0.215 0.000 0.871 127 D CB 0.900 41.891 40.800 0.318 0.000 0.943 127 D HN 0.005 nan 8.370 nan 0.000 0.518 128 V N 1.133 121.033 119.914 -0.024 0.000 2.577 128 V HA 0.178 4.300 4.120 0.003 0.000 0.294 128 V C 0.064 176.059 176.094 -0.164 0.000 1.052 128 V CA -1.110 61.012 62.300 -0.296 0.000 0.891 128 V CB 1.702 33.301 31.823 -0.374 0.000 1.017 128 V HN 0.075 nan 8.190 nan 0.000 0.436 129 S N 3.447 119.040 115.700 -0.179 0.000 2.589 129 S HA 0.155 4.627 4.470 0.003 0.000 0.265 129 S C 1.327 175.897 174.600 -0.050 0.000 1.342 129 S CA 0.375 58.528 58.200 -0.079 0.000 1.005 129 S CB 1.257 64.422 63.200 -0.059 0.000 0.909 129 S HN 0.732 nan 8.310 nan 0.000 0.555 130 S N 1.251 116.949 115.700 -0.003 0.000 2.442 130 S HA -0.084 4.387 4.470 0.003 0.000 0.236 130 S C 1.507 176.168 174.600 0.102 0.000 1.007 130 S CA 1.220 59.448 58.200 0.046 0.000 0.965 130 S CB -0.492 62.724 63.200 0.027 0.000 0.773 130 S HN 0.845 nan 8.310 nan 0.000 0.504 131 E N 0.916 121.133 120.200 0.030 0.000 2.274 131 E HA -0.076 4.276 4.350 0.003 0.000 0.194 131 E C 1.651 178.204 176.600 -0.078 0.000 0.996 131 E CA 0.529 56.920 56.400 -0.014 0.000 0.840 131 E CB 0.006 29.705 29.700 -0.002 0.000 0.772 131 E HN 0.388 nan 8.360 nan 0.000 0.491 132 E N 1.155 121.317 120.200 -0.063 0.000 2.347 132 E HA -0.097 4.255 4.350 0.003 0.000 0.196 132 E C 1.041 177.621 176.600 -0.033 0.000 1.008 132 E CA 0.623 56.990 56.400 -0.056 0.000 0.852 132 E CB -0.039 29.573 29.700 -0.147 0.000 0.783 132 E HN 0.347 nan 8.360 nan 0.000 0.505 133 N N 0.190 118.880 118.700 -0.016 0.000 2.282 133 N HA -0.012 4.730 4.740 0.003 0.000 0.240 133 N C 0.051 175.489 175.510 -0.119 0.000 1.182 133 N CA -0.190 52.890 53.050 0.051 0.000 0.874 133 N CB 0.237 38.825 38.487 0.169 0.000 1.126 133 N HN -0.097 nan 8.380 nan 0.000 0.516 134 R N 0.275 120.487 120.500 -0.481 0.000 2.428 134 R HA 0.409 4.751 4.340 0.003 0.000 0.294 134 R C -1.316 174.367 176.300 -1.029 0.000 1.000 134 R CA -0.282 55.293 56.100 -0.874 0.000 0.960 134 R CB 0.726 30.559 30.300 -0.779 0.000 1.076 134 R HN 0.040 nan 8.270 nan 0.000 0.475 135 Y N 2.348 122.292 120.300 -0.594 0.000 2.553 135 Y HA 0.456 5.007 4.550 0.003 0.000 0.347 135 Y C -0.984 174.570 175.900 -0.577 0.000 1.019 135 Y CA -0.728 57.151 58.100 -0.368 0.000 1.032 135 Y CB 1.830 40.249 38.460 -0.068 0.000 1.284 135 Y HN 0.405 nan 8.280 nan 0.000 0.466 136 F N 0.452 120.455 119.950 0.088 0.000 2.520 136 F HA 0.498 5.026 4.527 0.003 0.000 0.322 136 F C 0.143 175.961 175.800 0.030 0.000 1.103 136 F CA -1.142 56.876 58.000 0.029 0.000 0.926 136 F CB 1.987 40.985 39.000 -0.002 0.000 1.154 136 F HN 0.414 nan 8.300 nan 0.000 0.453 137 S N 0.747 116.554 115.700 0.178 0.000 2.572 137 S HA 0.344 4.816 4.470 0.003 0.000 0.279 137 S C 0.487 175.137 174.600 0.082 0.000 1.341 137 S CA -0.175 58.069 58.200 0.073 0.000 1.043 137 S CB 1.310 64.512 63.200 0.002 0.000 0.887 137 S HN 0.830 nan 8.310 nan 0.000 0.516 138 V N -2.332 117.605 119.914 0.038 0.000 3.556 138 V HA 0.557 4.678 4.120 0.003 0.000 0.287 138 V C -0.090 176.018 176.094 0.023 0.000 1.422 138 V CA 0.448 62.767 62.300 0.033 0.000 1.038 138 V CB -0.723 31.121 31.823 0.034 0.000 0.850 138 V HN 0.958 nan 8.190 nan 0.000 0.437 139 E N -0.023 120.187 120.200 0.017 0.000 2.451 139 E HA 0.357 4.709 4.350 0.003 0.000 0.295 139 E C 0.022 176.635 176.600 0.021 0.000 0.966 139 E CA -0.414 56.007 56.400 0.034 0.000 0.808 139 E CB 1.472 31.206 29.700 0.057 0.000 1.242 139 E HN -0.120 nan 8.360 nan 0.000 0.412 140 K N 2.117 122.535 120.400 0.029 0.000 2.243 140 K HA 0.144 4.466 4.320 0.003 0.000 0.201 140 K C -0.309 176.358 176.600 0.111 0.000 1.051 140 K CA 0.823 57.098 56.287 -0.021 0.000 0.970 140 K CB -0.556 31.966 32.500 0.036 0.000 0.755 140 K HN 0.742 nan 8.250 nan 0.000 0.465 141 N N 2.273 121.089 118.700 0.193 0.000 2.714 141 N HA -0.162 4.580 4.740 0.003 0.000 0.253 141 N C -1.188 174.633 175.510 0.518 0.000 1.024 141 N CA 0.360 53.601 53.050 0.317 0.000 0.726 141 N CB -1.127 37.517 38.487 0.261 0.000 0.908 141 N HN 0.319 nan 8.380 nan 0.000 0.542 142 E N 0.398 120.842 120.200 0.408 0.000 2.414 142 E HA -0.081 4.270 4.350 0.003 0.000 0.263 142 E C -0.074 176.724 176.600 0.329 0.000 1.000 142 E CA -0.139 56.497 56.400 0.394 0.000 0.914 142 E CB 0.398 30.261 29.700 0.271 0.000 0.948 142 E HN 0.259 nan 8.360 nan 0.000 0.444 143 Y N 5.493 125.812 120.300 0.032 0.000 2.650 143 Y HA 0.015 4.567 4.550 0.003 0.000 0.331 143 Y C -1.900 173.926 175.900 -0.123 0.000 1.165 143 Y CA -1.863 56.023 58.100 -0.358 0.000 1.473 143 Y CB 0.397 38.590 38.460 -0.445 0.000 1.224 143 Y HN 0.350 nan 8.280 nan 0.000 0.533 144 P HA 0.011 nan 4.420 nan 0.000 0.275 144 P C -0.385 176.776 177.300 -0.231 0.000 1.227 144 P CA -0.307 62.640 63.100 -0.256 0.000 0.781 144 P CB 1.069 32.635 31.700 -0.224 0.000 0.906 145 T N 1.924 116.439 114.554 -0.065 0.000 2.919 145 T HA 0.092 4.443 4.350 0.003 0.000 0.302 145 T C 1.093 175.775 174.700 -0.029 0.000 1.031 145 T CA -0.135 61.959 62.100 -0.010 0.000 1.127 145 T CB -0.035 68.840 68.868 0.011 0.000 0.952 145 T HN 0.298 nan 8.240 nan 0.000 0.540 146 K N 3.452 123.853 120.400 0.002 0.000 2.374 146 K HA 0.287 4.609 4.320 0.003 0.000 0.196 146 K C 0.245 176.846 176.600 0.001 0.000 1.023 146 K CA 0.042 56.328 56.287 -0.002 0.000 1.103 146 K CB 0.263 32.773 32.500 0.017 0.000 0.848 146 K HN 0.468 nan 8.250 nan 0.000 0.528 147 L N 1.122 122.347 121.223 0.003 0.000 2.365 147 L HA 0.299 4.641 4.340 0.003 0.000 0.267 147 L C -0.095 176.774 176.870 -0.001 0.000 1.033 147 L CA -1.133 53.707 54.840 0.001 0.000 0.802 147 L CB 0.799 42.858 42.059 0.000 0.000 1.267 147 L HN 0.030 nan 8.230 nan 0.000 0.457 148 N N -0.093 118.605 118.700 -0.002 0.000 2.335 148 N HA 0.503 5.244 4.740 0.003 0.000 0.304 148 N C 0.307 175.815 175.510 -0.003 0.000 1.135 148 N CA 0.209 53.258 53.050 -0.002 0.000 0.817 148 N CB 1.645 40.130 38.487 -0.002 0.000 1.294 148 N HN 0.843 nan 8.380 nan 0.000 0.497 149 G N 1.325 110.124 108.800 -0.002 0.000 2.652 149 G HA2 -0.324 3.638 3.960 0.003 0.000 0.318 149 G HA3 -0.324 3.638 3.960 0.003 0.000 0.318 149 G C -0.273 174.624 174.900 -0.005 0.000 1.295 149 G CA 0.420 45.518 45.100 -0.002 0.000 0.999 149 G HN 0.588 nan 8.290 nan 0.000 0.548 150 K N 0.819 121.215 120.400 -0.007 0.000 2.106 150 K HA 0.622 4.944 4.320 0.003 0.000 0.246 150 K C 0.503 177.094 176.600 -0.015 0.000 0.987 150 K CA -0.025 56.255 56.287 -0.012 0.000 0.904 150 K CB 1.567 34.060 32.500 -0.012 0.000 1.071 150 K HN 0.901 nan 8.250 nan 0.000 0.453 151 A N 1.813 124.620 122.820 -0.022 0.000 2.451 151 A HA 0.187 4.508 4.320 0.003 0.000 0.266 151 A C 1.020 178.590 177.584 -0.023 0.000 1.119 151 A CA -0.341 51.681 52.037 -0.025 0.000 0.786 151 A CB 0.029 19.007 19.000 -0.037 0.000 1.061 151 A HN 0.489 nan 8.150 nan 0.000 0.503 152 V N 2.829 122.732 119.914 -0.019 0.000 2.365 152 V HA -0.028 4.094 4.120 0.003 0.000 0.232 152 V C 1.801 177.883 176.094 -0.020 0.000 1.065 152 V CA 1.834 64.124 62.300 -0.017 0.000 1.054 152 V CB -1.379 30.436 31.823 -0.013 0.000 0.685 152 V HN 0.978 nan 8.190 nan 0.000 0.480 153 T N -0.889 113.654 114.554 -0.018 0.000 2.766 153 T HA 0.087 4.438 4.350 0.003 0.000 0.295 153 T C 1.243 175.929 174.700 -0.023 0.000 1.024 153 T CA 0.440 62.529 62.100 -0.019 0.000 1.018 153 T CB 0.958 69.817 68.868 -0.015 0.000 1.002 153 T HN 0.547 nan 8.240 nan 0.000 0.532 154 T N -1.257 113.283 114.554 -0.024 0.000 2.867 154 T HA -0.037 4.315 4.350 0.003 0.000 0.268 154 T C 1.549 176.235 174.700 -0.023 0.000 1.057 154 T CA 1.048 63.132 62.100 -0.027 0.000 1.136 154 T CB -0.523 68.328 68.868 -0.029 0.000 0.874 154 T HN 0.758 nan 8.240 nan 0.000 0.466 155 E N 0.833 121.023 120.200 -0.017 0.000 2.409 155 E HA -0.080 4.272 4.350 0.003 0.000 0.198 155 E C 1.745 178.337 176.600 -0.013 0.000 1.024 155 E CA 0.445 56.838 56.400 -0.011 0.000 0.861 155 E CB -0.012 29.683 29.700 -0.008 0.000 0.788 155 E HN 0.432 nan 8.360 nan 0.000 0.521 156 D N 0.036 120.425 120.400 -0.019 0.000 2.216 156 D HA -0.092 4.550 4.640 0.003 0.000 0.208 156 D C 1.775 178.056 176.300 -0.033 0.000 0.960 156 D CA 0.601 54.588 54.000 -0.021 0.000 0.861 156 D CB 0.395 41.183 40.800 -0.020 0.000 0.985 156 D HN 0.053 nan 8.370 nan 0.000 0.493 157 Q N 0.221 119.995 119.800 -0.042 0.000 2.084 157 Q HA -0.087 4.255 4.340 0.003 0.000 0.202 157 Q C 2.224 178.181 176.000 -0.071 0.000 0.978 157 Q CA 1.241 57.003 55.803 -0.068 0.000 0.844 157 Q CB -1.205 27.488 28.738 -0.074 0.000 0.898 157 Q HN 0.303 nan 8.270 nan 0.000 0.426 158 T N 1.601 116.132 114.554 -0.040 0.000 2.684 158 T HA -0.220 4.132 4.350 0.003 0.000 0.267 158 T C 1.864 176.547 174.700 -0.027 0.000 1.036 158 T CA 1.638 63.727 62.100 -0.019 0.000 1.148 158 T CB -0.252 68.620 68.868 0.007 0.000 0.863 158 T HN 0.194 nan 8.240 nan 0.000 0.436 159 Q N 1.761 121.546 119.800 -0.024 0.000 2.112 159 Q HA -0.140 4.202 4.340 0.003 0.000 0.206 159 Q C 2.146 178.129 176.000 -0.028 0.000 0.987 159 Q CA 1.931 57.722 55.803 -0.020 0.000 0.858 159 Q CB -0.371 28.364 28.738 -0.006 0.000 0.905 159 Q HN 0.588 nan 8.270 nan 0.000 0.420 160 K N -0.496 119.879 120.400 -0.042 0.000 2.063 160 K HA -0.153 4.169 4.320 0.003 0.000 0.208 160 K C 2.066 178.624 176.600 -0.070 0.000 1.048 160 K CA 1.422 57.679 56.287 -0.051 0.000 0.928 160 K CB -0.063 32.394 32.500 -0.073 0.000 0.713 160 K HN 0.162 nan 8.250 nan 0.000 0.442 161 R N 0.027 120.469 120.500 -0.097 0.000 2.092 161 R HA -0.049 4.293 4.340 0.003 0.000 0.231 161 R C 2.472 178.734 176.300 -0.063 0.000 1.119 161 R CA 1.160 57.203 56.100 -0.095 0.000 0.970 161 R CB -0.259 29.980 30.300 -0.102 0.000 0.864 161 R HN 0.209 nan 8.270 nan 0.000 0.440 162 R N 1.025 121.481 120.500 -0.074 0.000 2.127 162 R HA -0.134 4.208 4.340 0.003 0.000 0.238 162 R C 1.546 177.694 176.300 -0.252 0.000 1.134 162 R CA 1.293 57.308 56.100 -0.141 0.000 0.975 162 R CB 0.013 30.232 30.300 -0.135 0.000 0.865 162 R HN 0.373 nan 8.270 nan 0.000 0.447 163 E N 0.020 120.142 120.200 -0.131 0.000 2.481 163 E HA -0.079 4.273 4.350 0.003 0.000 0.195 163 E C -0.192 176.419 176.600 0.018 0.000 1.047 163 E CA -0.017 56.357 56.400 -0.043 0.000 0.867 163 E CB 0.152 29.931 29.700 0.132 0.000 0.858 163 E HN 0.114 nan 8.360 nan 0.000 0.513 164 D N 0.652 121.052 120.400 0.000 0.000 2.470 164 D HA 0.040 4.681 4.640 0.003 0.000 0.226 164 D C -1.472 174.869 176.300 0.069 0.000 1.196 164 D CA 0.143 54.165 54.000 0.037 0.000 0.979 164 D CB -0.428 40.397 40.800 0.041 0.000 1.059 164 D HN 0.011 nan 8.370 nan 0.000 0.515 165 Y N 3.137 123.367 120.300 -0.116 0.000 2.521 165 Y HA 0.313 4.865 4.550 0.003 0.000 0.326 165 Y C -1.877 174.070 175.900 0.078 0.000 1.176 165 Y CA -0.994 57.061 58.100 -0.075 0.000 1.079 165 Y CB 0.839 39.206 38.460 -0.154 0.000 1.341 165 Y HN 0.255 nan 8.280 nan 0.000 0.456 166 Y N 3.443 123.680 120.300 -0.105 0.000 2.615 166 Y HA 0.717 5.268 4.550 0.003 0.000 0.341 166 Y C -1.382 174.524 175.900 0.009 0.000 1.089 166 Y CA -1.754 56.407 58.100 0.103 0.000 1.049 166 Y CB 2.347 40.880 38.460 0.121 0.000 1.296 166 Y HN 0.623 nan 8.280 nan 0.000 0.470 167 M N 3.664 123.519 119.600 0.424 0.000 2.389 167 M HA 0.412 4.894 4.480 0.003 0.000 0.206 167 M C -3.059 173.362 176.300 0.201 0.000 0.976 167 M CA -1.851 53.617 55.300 0.279 0.000 0.648 167 M CB 0.965 33.784 32.600 0.365 0.000 1.474 167 M HN 0.308 nan 8.290 nan 0.000 0.398 168 P HA 0.027 nan 4.420 nan 0.000 0.265 168 P C -1.140 176.167 177.300 0.012 0.000 1.193 168 P CA 0.142 63.196 63.100 -0.077 0.000 0.765 168 P CB 0.392 31.918 31.700 -0.291 0.000 0.823 169 R N 3.942 124.411 120.500 -0.052 0.000 2.308 169 R HA 0.348 4.689 4.340 0.003 0.000 0.305 169 R C -0.298 175.873 176.300 -0.216 0.000 1.053 169 R CA -0.506 55.374 56.100 -0.367 0.000 0.957 169 R CB 0.108 30.275 30.300 -0.222 0.000 1.022 169 R HN 0.483 nan 8.270 nan 0.000 0.461 170 L N 3.019 124.093 121.223 -0.248 0.000 2.416 170 L HA 0.158 4.499 4.340 0.003 0.000 0.262 170 L C 1.397 178.276 176.870 0.015 0.000 1.093 170 L CA -0.708 54.102 54.840 -0.051 0.000 0.801 170 L CB 1.100 43.137 42.059 -0.036 0.000 1.191 170 L HN 0.780 nan 8.230 nan 0.000 0.459 171 D N -0.491 119.982 120.400 0.121 0.000 2.224 171 D HA -0.058 4.583 4.640 0.003 0.000 0.205 171 D C 0.202 176.554 176.300 0.086 0.000 0.965 171 D CA 1.230 55.298 54.000 0.114 0.000 0.852 171 D CB 0.250 41.151 40.800 0.167 0.000 0.947 171 D HN 0.177 nan 8.370 nan 0.000 0.494 172 K N -0.407 120.091 120.400 0.163 0.000 2.512 172 K HA 0.280 4.601 4.320 0.003 0.000 0.263 172 K C -0.758 175.996 176.600 0.256 0.000 0.966 172 K CA -0.884 55.485 56.287 0.136 0.000 0.851 172 K CB 1.515 34.128 32.500 0.189 0.000 1.395 172 K HN -0.133 nan 8.250 nan 0.000 0.440 173 F N 0.995 120.990 119.950 0.075 0.000 2.529 173 F HA 0.056 4.584 4.527 0.003 0.000 0.365 173 F C 0.977 176.774 175.800 -0.005 0.000 1.102 173 F CA -0.830 57.167 58.000 -0.005 0.000 1.271 173 F CB -0.041 38.952 39.000 -0.012 0.000 1.120 173 F HN -0.017 nan 8.300 nan 0.000 0.579 174 V N 3.751 123.615 119.914 -0.084 0.000 2.508 174 V HA 0.094 4.215 4.120 0.003 0.000 0.281 174 V C 0.945 177.004 176.094 -0.057 0.000 1.041 174 V CA 0.411 62.495 62.300 -0.360 0.000 1.016 174 V CB 0.805 32.108 31.823 -0.868 0.000 0.984 174 V HN 0.992 nan 8.190 nan 0.000 0.478 175 T N 0.460 115.079 114.554 0.108 0.000 3.015 175 T HA 0.075 4.426 4.350 0.003 0.000 0.250 175 T C 1.239 176.004 174.700 0.109 0.000 1.057 175 T CA 0.000 62.164 62.100 0.106 0.000 1.066 175 T CB 0.099 69.046 68.868 0.131 0.000 0.959 175 T HN 0.536 nan 8.240 nan 0.000 0.488 176 E N 0.867 121.158 120.200 0.151 0.000 2.274 176 E HA 0.257 4.608 4.350 0.003 0.000 0.194 176 E C 0.356 177.115 176.600 0.265 0.000 0.996 176 E CA 0.241 56.791 56.400 0.251 0.000 0.840 176 E CB 0.287 30.152 29.700 0.275 0.000 0.772 176 E HN 0.401 nan 8.360 nan 0.000 0.491 177 V N -0.732 119.245 119.914 0.105 0.000 3.048 177 V HA 0.626 4.748 4.120 0.003 0.000 0.303 177 V C -1.507 174.579 176.094 -0.013 0.000 1.214 177 V CA -0.963 61.393 62.300 0.093 0.000 0.984 177 V CB 1.925 33.812 31.823 0.108 0.000 1.054 177 V HN 0.048 nan 8.190 nan 0.000 0.430 178 A N 6.518 129.338 122.820 -0.000 0.000 2.462 178 A HA 0.704 5.025 4.320 0.003 0.000 0.243 178 A C -2.539 175.014 177.584 -0.053 0.000 1.076 178 A CA -0.908 51.111 52.037 -0.030 0.000 0.773 178 A CB -0.131 18.862 19.000 -0.012 0.000 1.010 178 A HN 0.691 nan 8.150 nan 0.000 0.493 179 P HA 0.181 nan 4.420 nan 0.000 0.269 179 P C -0.153 177.130 177.300 -0.029 0.000 1.209 179 P CA -0.115 62.937 63.100 -0.079 0.000 0.776 179 P CB 0.493 32.140 31.700 -0.087 0.000 0.876 180 I N 1.169 121.739 120.570 0.001 0.000 2.472 180 I HA 0.116 4.287 4.170 0.003 0.000 0.290 180 I C 0.744 176.885 176.117 0.040 0.000 1.016 180 I CA -0.642 60.692 61.300 0.057 0.000 1.348 180 I CB 0.623 38.719 38.000 0.160 0.000 1.417 180 I HN 0.366 nan 8.210 nan 0.000 0.521 181 E N 5.651 125.879 120.200 0.048 0.000 2.392 181 E HA 0.330 4.682 4.350 0.003 0.000 0.264 181 E C -0.900 175.722 176.600 0.037 0.000 1.024 181 E CA -0.423 55.990 56.400 0.021 0.000 0.903 181 E CB 0.898 30.614 29.700 0.026 0.000 0.963 181 E HN 0.670 nan 8.360 nan 0.000 0.432 182 A N 3.414 126.185 122.820 -0.082 0.000 2.312 182 A HA 0.316 4.638 4.320 0.003 0.000 0.328 182 A C -0.270 177.291 177.584 -0.040 0.000 1.158 182 A CA -0.557 51.385 52.037 -0.158 0.000 0.821 182 A CB 1.659 20.119 19.000 -0.898 0.000 1.170 182 A HN 0.555 nan 8.150 nan 0.000 0.490 183 S N 0.130 115.867 115.700 0.062 0.000 2.531 183 S HA 0.329 4.801 4.470 0.003 0.000 0.279 183 S C 1.097 175.856 174.600 0.266 0.000 1.305 183 S CA 0.412 58.713 58.200 0.168 0.000 1.058 183 S CB 0.060 63.373 63.200 0.187 0.000 0.899 183 S HN 1.166 nan 8.310 nan 0.000 0.493 184 T N 2.077 116.774 114.554 0.238 0.000 3.132 184 T HA 0.546 4.898 4.350 0.003 0.000 0.274 184 T C 0.510 175.322 174.700 0.187 0.000 1.011 184 T CA 0.029 62.275 62.100 0.244 0.000 0.899 184 T CB 0.066 69.058 68.868 0.207 0.000 1.089 184 T HN 0.701 nan 8.240 nan 0.000 0.543 185 A N 1.575 124.514 122.820 0.198 0.000 2.429 185 A HA 0.548 4.869 4.320 0.003 0.000 0.242 185 A C 0.809 178.455 177.584 0.103 0.000 1.088 185 A CA -0.238 51.878 52.037 0.131 0.000 0.784 185 A CB -0.183 18.883 19.000 0.110 0.000 1.038 185 A HN 0.506 nan 8.150 nan 0.000 0.501 186 S N -0.083 115.641 115.700 0.040 0.000 2.563 186 S HA 0.120 4.592 4.470 0.003 0.000 0.294 186 S C 1.355 176.006 174.600 0.085 0.000 1.279 186 S CA 0.180 58.406 58.200 0.043 0.000 1.069 186 S CB -0.034 63.170 63.200 0.007 0.000 0.828 186 S HN 1.453 nan 8.310 nan 0.000 0.497 187 S N 2.873 118.661 115.700 0.147 0.000 2.593 187 S HA 0.136 4.608 4.470 0.003 0.000 0.217 187 S C -0.024 174.731 174.600 0.259 0.000 0.966 187 S CA -0.517 57.839 58.200 0.260 0.000 0.914 187 S CB -0.212 63.098 63.200 0.183 0.000 0.776 187 S HN 0.714 nan 8.310 nan 0.000 0.523 188 D N 3.157 123.617 120.400 0.101 0.000 2.423 188 D HA 0.436 5.078 4.640 0.003 0.000 0.238 188 D C 0.496 176.661 176.300 -0.224 0.000 1.142 188 D CA 0.350 54.348 54.000 -0.004 0.000 0.884 188 D CB 0.676 41.457 40.800 -0.031 0.000 1.199 188 D HN 0.454 nan 8.370 nan 0.000 0.438 189 A N 1.218 123.873 122.820 -0.275 0.000 2.603 189 A HA 0.383 4.705 4.320 0.003 0.000 0.235 189 A C 1.575 178.817 177.584 -0.569 0.000 1.035 189 A CA 0.842 52.556 52.037 -0.539 0.000 0.755 189 A CB -0.375 18.515 19.000 -0.182 0.000 0.954 189 A HN 0.912 nan 8.150 nan 0.000 0.511 190 G N 1.595 109.956 108.800 -0.730 0.000 2.284 190 G HA2 -0.308 3.653 3.960 0.003 0.000 0.230 190 G HA3 -0.308 3.653 3.960 0.003 0.000 0.230 190 G C 1.238 176.051 174.900 -0.144 0.000 1.021 190 G CA 1.059 45.997 45.100 -0.271 0.000 0.619 190 G HN 1.169 nan 8.290 nan 0.000 0.510 191 T N 0.288 114.702 114.554 -0.233 0.000 2.624 191 T HA -0.199 4.152 4.350 0.003 0.000 0.268 191 T C 1.807 176.474 174.700 -0.055 0.000 1.041 191 T CA 2.146 64.166 62.100 -0.133 0.000 1.159 191 T CB -0.310 68.372 68.868 -0.309 0.000 0.863 191 T HN 0.506 nan 8.240 nan 0.000 0.434 192 Y N 1.321 121.858 120.300 0.394 0.000 2.529 192 Y HA 0.204 4.755 4.550 0.003 0.000 0.290 192 Y C 2.036 178.130 175.900 0.323 0.000 1.177 192 Y CA -0.359 57.852 58.100 0.185 0.000 1.305 192 Y CB -0.405 38.060 38.460 0.009 0.000 1.047 192 Y HN 0.163 nan 8.280 nan 0.000 0.522 193 N N -0.077 118.833 118.700 0.349 0.000 2.512 193 N HA -0.115 4.627 4.740 0.003 0.000 0.183 193 N C 0.056 175.727 175.510 0.269 0.000 1.073 193 N CA 0.688 53.896 53.050 0.263 0.000 0.911 193 N CB -0.139 38.443 38.487 0.158 0.000 0.964 193 N HN 0.258 nan 8.380 nan 0.000 0.447 194 D N 1.181 121.767 120.400 0.310 0.000 2.359 194 D HA -0.025 4.617 4.640 0.003 0.000 0.250 194 D C 0.947 177.402 176.300 0.258 0.000 1.264 194 D CA 0.040 54.182 54.000 0.236 0.000 0.911 194 D CB 0.592 41.496 40.800 0.173 0.000 1.056 194 D HN 0.154 nan 8.370 nan 0.000 0.499 195 Q N 3.353 123.272 119.800 0.198 0.000 2.291 195 Q HA -0.132 4.210 4.340 0.003 0.000 0.205 195 Q C 0.802 176.852 176.000 0.084 0.000 0.970 195 Q CA 0.867 56.778 55.803 0.180 0.000 0.876 195 Q CB 0.292 29.125 28.738 0.159 0.000 0.935 195 Q HN 0.375 nan 8.270 nan 0.000 0.455 196 N N 0.497 119.217 118.700 0.033 0.000 2.207 196 N HA -0.086 4.655 4.740 0.003 0.000 0.182 196 N C 1.185 176.627 175.510 -0.115 0.000 1.020 196 N CA 1.163 54.197 53.050 -0.027 0.000 0.858 196 N CB 0.049 38.520 38.487 -0.027 0.000 0.991 196 N HN 0.249 nan 8.380 nan 0.000 0.427 197 K N -0.447 119.819 120.400 -0.222 0.000 2.167 197 K HA -0.004 4.318 4.320 0.003 0.000 0.203 197 K C -0.117 176.033 176.600 -0.751 0.000 1.052 197 K CA 0.815 56.766 56.287 -0.561 0.000 0.956 197 K CB 0.143 32.130 32.500 -0.854 0.000 0.735 197 K HN 0.182 nan 8.250 nan 0.000 0.451 198 Y N 0.496 120.804 120.300 0.014 0.000 2.658 198 Y HA 0.213 4.764 4.550 0.003 0.000 0.362 198 Y C -2.065 173.776 175.900 -0.098 0.000 1.017 198 Y CA -2.661 55.408 58.100 -0.052 0.000 1.134 198 Y CB 0.898 39.398 38.460 0.066 0.000 1.144 198 Y HN -0.007 nan 8.280 nan 0.000 0.655 199 P HA 0.087 nan 4.420 nan 0.000 0.229 199 P C 0.156 177.452 177.300 -0.006 0.000 1.160 199 P CA 0.817 63.924 63.100 0.012 0.000 0.777 199 P CB 0.848 32.533 31.700 -0.025 0.000 0.814 200 A N -0.876 121.853 122.820 -0.151 0.000 2.574 200 A HA 0.678 5.000 4.320 0.003 0.000 0.297 200 A C -1.543 175.927 177.584 -0.191 0.000 1.062 200 A CA -0.486 51.531 52.037 -0.034 0.000 0.686 200 A CB 0.818 19.834 19.000 0.026 0.000 1.285 200 A HN -0.094 nan 8.150 nan 0.000 0.403 201 F N 0.520 120.682 119.950 0.353 0.000 2.563 201 F HA 0.716 5.245 4.527 0.003 0.000 0.316 201 F C 0.270 176.224 175.800 0.258 0.000 1.076 201 F CA -0.644 57.546 58.000 0.317 0.000 0.921 201 F CB 2.625 41.657 39.000 0.052 0.000 1.209 201 F HN 0.644 nan 8.300 nan 0.000 0.462 202 V N 0.368 120.494 119.914 0.354 0.000 3.159 202 V HA 0.985 5.106 4.120 0.003 0.000 0.308 202 V C -1.252 174.955 176.094 0.188 0.000 1.190 202 V CA -1.042 61.380 62.300 0.204 0.000 1.037 202 V CB 2.263 34.137 31.823 0.085 0.000 1.060 202 V HN 0.919 nan 8.190 nan 0.000 0.437 203 R N 1.955 122.571 120.500 0.193 0.000 2.764 203 R HA 0.948 5.290 4.340 0.003 0.000 0.270 203 R C -1.687 174.637 176.300 0.040 0.000 1.014 203 R CA -0.853 55.312 56.100 0.108 0.000 0.904 203 R CB 1.515 31.748 30.300 -0.111 0.000 1.236 203 R HN 1.269 nan 8.270 nan 0.000 0.466 204 L N -0.374 120.812 121.223 -0.063 0.000 2.526 204 L HA 0.930 5.271 4.340 0.003 0.000 0.263 204 L C -1.067 175.704 176.870 -0.164 0.000 0.943 204 L CA 0.289 54.947 54.840 -0.304 0.000 0.859 204 L CB 2.310 43.911 42.059 -0.763 0.000 1.313 204 L HN 1.058 nan 8.230 nan 0.000 0.406 205 G N 0.966 109.657 108.800 -0.181 0.000 2.687 205 G HA2 0.493 4.454 3.960 0.003 0.000 0.291 205 G HA3 0.493 4.454 3.960 0.003 0.000 0.291 205 G C -1.237 173.561 174.900 -0.171 0.000 1.420 205 G CA 0.053 45.061 45.100 -0.153 0.000 0.796 205 G HN 0.617 nan 8.290 nan 0.000 0.485 206 S N -0.807 114.791 115.700 -0.170 0.000 2.902 206 S HA 0.456 4.927 4.470 0.003 0.000 0.250 206 S C 0.920 175.296 174.600 -0.372 0.000 1.046 206 S CA 0.414 58.473 58.200 -0.236 0.000 1.069 206 S CB -0.729 62.392 63.200 -0.132 0.000 0.967 206 S HN 1.136 nan 8.310 nan 0.000 0.530 207 G N 0.891 109.480 108.800 -0.353 0.000 2.683 207 G HA2 0.349 4.310 3.960 0.003 0.000 0.260 207 G HA3 0.349 4.310 3.960 0.003 0.000 0.260 207 G C -0.140 174.520 174.900 -0.401 0.000 1.238 207 G CA -0.385 44.465 45.100 -0.417 0.000 0.934 207 G HN 0.454 nan 8.290 nan 0.000 0.534 208 S N 0.481 115.987 115.700 -0.323 0.000 2.642 208 S HA 0.040 4.512 4.470 0.003 0.000 0.308 208 S C 0.115 174.504 174.600 -0.352 0.000 1.255 208 S CA 0.268 58.277 58.200 -0.318 0.000 1.057 208 S CB 0.373 63.506 63.200 -0.111 0.000 0.785 208 S HN 0.456 nan 8.310 nan 0.000 0.500 209 Q N 2.341 121.809 119.800 -0.554 0.000 2.307 209 Q HA 0.530 4.872 4.340 0.003 0.000 0.262 209 Q C -0.982 174.689 176.000 -0.548 0.000 0.961 209 Q CA -0.011 55.583 55.803 -0.348 0.000 0.882 209 Q CB 1.189 29.801 28.738 -0.209 0.000 1.264 209 Q HN 0.552 nan 8.270 nan 0.000 0.446 210 F N 1.919 121.829 119.950 -0.067 0.000 2.577 210 F HA 0.586 5.115 4.527 0.003 0.000 0.318 210 F C 0.448 176.228 175.800 -0.033 0.000 1.065 210 F CA -1.219 56.726 58.000 -0.092 0.000 0.929 210 F CB 1.567 40.512 39.000 -0.093 0.000 1.237 210 F HN 0.379 nan 8.300 nan 0.000 0.468 211 I N -0.617 120.034 120.570 0.135 0.000 2.693 211 I HA 0.521 4.693 4.170 0.003 0.000 0.303 211 I C -1.132 175.084 176.117 0.164 0.000 1.025 211 I CA -1.213 60.157 61.300 0.117 0.000 1.086 211 I CB 1.813 39.819 38.000 0.010 0.000 1.268 211 I HN 0.586 nan 8.210 nan 0.000 0.440 212 Y N 3.783 124.124 120.300 0.069 0.000 2.717 212 Y HA 0.195 4.746 4.550 0.003 0.000 0.330 212 Y C -0.190 175.739 175.900 0.049 0.000 1.217 212 Y CA 0.338 58.475 58.100 0.062 0.000 1.506 212 Y CB 0.427 38.925 38.460 0.064 0.000 1.268 212 Y HN 0.707 nan 8.280 nan 0.000 0.561 213 K N 5.896 125.911 120.400 -0.643 0.000 2.731 213 K HA 0.214 4.536 4.320 0.003 0.000 0.257 213 K C -1.317 174.885 176.600 -0.664 0.000 1.032 213 K CA -0.960 54.987 56.287 -0.566 0.000 0.983 213 K CB 0.642 33.012 32.500 -0.216 0.000 1.248 213 K HN 0.535 nan 8.250 nan 0.000 0.484 214 K N 2.389 122.294 120.400 -0.824 0.000 2.473 214 K HA 0.040 4.361 4.320 0.003 0.000 0.277 214 K C 0.868 177.359 176.600 -0.182 0.000 1.052 214 K CA 2.061 58.107 56.287 -0.402 0.000 1.114 214 K CB -0.071 32.361 32.500 -0.113 0.000 0.869 214 K HN 0.782 nan 8.250 nan 0.000 0.481 215 G N 3.092 111.826 108.800 -0.111 0.000 2.199 215 G HA2 -0.261 3.701 3.960 0.003 0.000 0.254 215 G HA3 -0.261 3.701 3.960 0.003 0.000 0.254 215 G C -0.418 174.453 174.900 -0.047 0.000 0.982 215 G CA 0.170 45.238 45.100 -0.053 0.000 0.632 215 G HN 0.692 nan 8.290 nan 0.000 0.529 216 D N 1.074 121.431 120.400 -0.072 0.000 2.325 216 D HA 0.327 4.969 4.640 0.003 0.000 0.251 216 D C 0.409 176.714 176.300 0.008 0.000 1.196 216 D CA -0.190 53.790 54.000 -0.032 0.000 0.866 216 D CB 0.378 41.152 40.800 -0.043 0.000 1.101 216 D HN 0.322 nan 8.370 nan 0.000 0.476 217 N N 3.057 121.772 118.700 0.026 0.000 2.488 217 N HA 0.016 4.758 4.740 0.003 0.000 0.274 217 N C -1.210 174.364 175.510 0.107 0.000 1.111 217 N CA -0.286 52.793 53.050 0.047 0.000 0.974 217 N CB 0.585 39.084 38.487 0.020 0.000 1.089 217 N HN 0.347 nan 8.380 nan 0.000 0.465 218 Y N 2.925 123.207 120.300 -0.030 0.000 2.356 218 Y HA 0.257 4.809 4.550 0.003 0.000 0.334 218 Y C -0.435 175.444 175.900 -0.035 0.000 0.958 218 Y CA -0.699 57.382 58.100 -0.030 0.000 1.196 218 Y CB 0.829 39.242 38.460 -0.078 0.000 1.137 218 Y HN 0.348 nan 8.280 nan 0.000 0.485 219 S N 6.791 122.234 115.700 -0.430 0.000 2.480 219 S HA 0.721 5.193 4.470 0.003 0.000 0.286 219 S C -1.583 172.619 174.600 -0.662 0.000 1.180 219 S CA -0.558 57.396 58.200 -0.410 0.000 1.075 219 S CB 0.442 63.528 63.200 -0.192 0.000 0.996 219 S HN 0.718 nan 8.310 nan 0.000 0.487 220 L N 6.193 127.148 121.223 -0.446 0.000 2.516 220 L HA 0.595 4.937 4.340 0.003 0.000 0.267 220 L C -1.773 175.057 176.870 -0.068 0.000 0.957 220 L CA -0.471 54.203 54.840 -0.276 0.000 0.860 220 L CB 1.668 43.589 42.059 -0.231 0.000 1.265 220 L HN 0.527 nan 8.230 nan 0.000 0.403 221 I N 5.846 126.399 120.570 -0.029 0.000 2.321 221 I HA 0.465 4.636 4.170 0.003 0.000 0.291 221 I C -0.708 175.434 176.117 0.042 0.000 0.998 221 I CA -0.493 60.811 61.300 0.007 0.000 1.227 221 I CB 1.250 39.239 38.000 -0.017 0.000 1.368 221 I HN 0.501 nan 8.210 nan 0.000 0.466 222 L N 7.341 128.608 121.223 0.072 0.000 2.410 222 L HA 0.499 4.840 4.340 0.003 0.000 0.270 222 L C 0.145 177.065 176.870 0.084 0.000 0.983 222 L CA -0.023 54.872 54.840 0.092 0.000 0.822 222 L CB 1.246 43.390 42.059 0.142 0.000 1.285 222 L HN 0.524 nan 8.230 nan 0.000 0.409 223 N N 3.587 122.322 118.700 0.058 0.000 2.710 223 N HA -0.291 4.451 4.740 0.003 0.000 0.249 223 N C 0.036 175.517 175.510 -0.048 0.000 1.059 223 N CA 1.330 54.408 53.050 0.048 0.000 0.720 223 N CB -1.096 37.457 38.487 0.109 0.000 0.983 223 N HN 0.863 nan 8.380 nan 0.000 0.544 224 N N -2.689 115.925 118.700 -0.143 0.000 2.925 224 N HA -0.194 4.548 4.740 0.003 0.000 0.244 224 N C -0.926 174.238 175.510 -0.577 0.000 1.000 224 N CA 1.519 54.360 53.050 -0.347 0.000 0.895 224 N CB -0.833 37.411 38.487 -0.405 0.000 1.119 224 N HN 0.649 nan 8.380 nan 0.000 0.569 225 H N -0.476 118.605 119.070 0.018 0.000 2.928 225 H HA 0.404 4.962 4.556 0.003 0.000 0.371 225 H C -0.323 175.014 175.328 0.015 0.000 1.186 225 H CA -0.808 55.248 56.048 0.013 0.000 1.134 225 H CB 1.502 31.272 29.762 0.014 0.000 1.824 225 H HN 0.055 nan 8.280 nan 0.000 0.554 226 E N 1.467 121.746 120.200 0.132 0.000 2.299 226 E HA 0.160 4.511 4.350 0.003 0.000 0.272 226 E C 0.298 176.948 176.600 0.084 0.000 1.043 226 E CA -0.187 56.252 56.400 0.066 0.000 0.895 226 E CB 0.461 30.182 29.700 0.035 0.000 1.011 226 E HN 0.476 nan 8.360 nan 0.000 0.432 227 V N 2.273 122.244 119.914 0.095 0.000 3.166 227 V HA 0.553 4.675 4.120 0.003 0.000 0.332 227 V C 0.760 176.997 176.094 0.237 0.000 1.434 227 V CA 0.168 62.556 62.300 0.146 0.000 1.121 227 V CB 0.134 32.068 31.823 0.185 0.000 1.062 227 V HN 0.503 nan 8.190 nan 0.000 0.489 228 G N 0.374 109.244 108.800 0.116 0.000 2.504 228 G HA2 0.692 4.653 3.960 0.003 0.000 0.257 228 G HA3 0.692 4.653 3.960 0.003 0.000 0.257 228 G C 0.154 175.154 174.900 0.166 0.000 1.451 228 G CA -0.053 45.104 45.100 0.095 0.000 1.059 228 G HN 1.243 nan 8.290 nan 0.000 0.550 229 G N -1.529 107.351 108.800 0.132 0.000 2.559 229 G HA2 0.415 4.377 3.960 0.003 0.000 0.291 229 G HA3 0.415 4.377 3.960 0.003 0.000 0.291 229 G C -1.561 173.389 174.900 0.084 0.000 1.424 229 G CA -0.627 44.544 45.100 0.119 0.000 0.786 229 G HN 0.664 nan 8.290 nan 0.000 0.485 230 N N 0.146 118.884 118.700 0.064 0.000 2.482 230 N HA 0.332 5.074 4.740 0.003 0.000 0.279 230 N C 0.560 176.096 175.510 0.043 0.000 1.182 230 N CA -0.191 52.886 53.050 0.046 0.000 0.969 230 N CB 0.555 39.063 38.487 0.035 0.000 1.201 230 N HN 0.541 nan 8.380 nan 0.000 0.523 231 N N -0.484 118.217 118.700 0.002 0.000 2.776 231 N HA -0.183 4.559 4.740 0.003 0.000 0.249 231 N C -1.131 174.339 175.510 -0.068 0.000 1.111 231 N CA 0.849 53.859 53.050 -0.066 0.000 0.711 231 N CB -1.845 36.673 38.487 0.052 0.000 1.065 231 N HN 0.607 nan 8.380 nan 0.000 0.556 232 L N -3.319 117.888 121.223 -0.027 0.000 2.434 232 L HA 0.701 5.043 4.340 0.003 0.000 0.260 232 L C -0.530 176.386 176.870 0.076 0.000 0.983 232 L CA -0.960 53.885 54.840 0.008 0.000 0.820 232 L CB 2.437 44.448 42.059 -0.080 0.000 1.361 232 L HN -0.026 nan 8.230 nan 0.000 0.410 233 K N 2.760 123.235 120.400 0.126 0.000 2.376 233 K HA 0.537 4.859 4.320 0.003 0.000 0.257 233 K C -1.440 175.189 176.600 0.050 0.000 0.939 233 K CA -0.772 55.563 56.287 0.080 0.000 0.809 233 K CB 2.237 34.731 32.500 -0.010 0.000 1.121 233 K HN 0.757 nan 8.250 nan 0.000 0.425 234 L N 6.012 127.170 121.223 -0.109 0.000 2.360 234 L HA 0.137 4.479 4.340 0.003 0.000 0.276 234 L C 0.320 176.987 176.870 -0.337 0.000 1.121 234 L CA 0.369 54.878 54.840 -0.552 0.000 0.845 234 L CB 1.375 43.110 42.059 -0.540 0.000 1.143 234 L HN 0.649 nan 8.230 nan 0.000 0.452 235 V N 1.612 121.304 119.914 -0.370 0.000 3.604 235 V HA 0.676 4.798 4.120 0.003 0.000 0.277 235 V C 0.532 176.549 176.094 -0.130 0.000 1.399 235 V CA 0.489 62.652 62.300 -0.227 0.000 1.034 235 V CB -0.054 31.603 31.823 -0.278 0.000 0.824 235 V HN 0.826 nan 8.190 nan 0.000 0.439 236 G N -0.262 108.417 108.800 -0.202 0.000 2.746 236 G HA2 0.551 4.512 3.960 0.003 0.000 0.297 236 G HA3 0.551 4.512 3.960 0.003 0.000 0.297 236 G C -1.970 172.742 174.900 -0.313 0.000 1.426 236 G CA -0.487 44.530 45.100 -0.139 0.000 0.989 236 G HN 0.021 nan 8.290 nan 0.000 0.520 237 D N 0.635 120.894 120.400 -0.236 0.000 2.339 237 D HA 0.494 5.136 4.640 0.003 0.000 0.245 237 D C 1.021 177.113 176.300 -0.346 0.000 1.115 237 D CA 0.262 54.115 54.000 -0.244 0.000 0.917 237 D CB 1.742 42.464 40.800 -0.129 0.000 1.192 237 D HN 0.627 nan 8.370 nan 0.000 0.428 238 A N 1.382 123.963 122.820 -0.399 0.000 2.520 238 A HA 0.067 4.388 4.320 0.003 0.000 0.235 238 A C -0.370 176.896 177.584 -0.531 0.000 1.065 238 A CA 0.070 51.696 52.037 -0.685 0.000 0.764 238 A CB -0.453 17.925 19.000 -1.036 0.000 1.002 238 A HN 0.667 nan 8.150 nan 0.000 0.502 239 Y N 0.173 120.371 120.300 -0.170 0.000 3.689 239 Y HA -0.220 4.331 4.550 0.003 0.000 0.221 239 Y C 1.242 177.067 175.900 -0.124 0.000 1.247 239 Y CA 0.902 58.924 58.100 -0.130 0.000 1.671 239 Y CB -2.667 35.744 38.460 -0.082 0.000 1.521 239 Y HN 0.697 nan 8.280 nan 0.000 0.632 240 T N -2.498 111.984 114.554 -0.120 0.000 3.125 240 T HA 0.283 4.634 4.350 0.003 0.000 0.252 240 T C -0.226 174.475 174.700 0.003 0.000 0.981 240 T CA 1.061 63.123 62.100 -0.064 0.000 1.069 240 T CB 0.606 69.427 68.868 -0.079 0.000 1.091 240 T HN 0.356 nan 8.240 nan 0.000 0.460 241 Y N -0.496 119.769 120.300 -0.057 0.000 2.609 241 Y HA 0.767 5.318 4.550 0.003 0.000 0.336 241 Y C -0.296 175.553 175.900 -0.085 0.000 1.129 241 Y CA -2.307 55.752 58.100 -0.067 0.000 1.040 241 Y CB 0.570 38.998 38.460 -0.053 0.000 1.310 241 Y HN 0.068 nan 8.280 nan 0.000 0.460 242 G N 2.525 111.398 108.800 0.121 0.000 2.395 242 G HA2 0.586 4.548 3.960 0.003 0.000 0.283 242 G HA3 0.586 4.548 3.960 0.003 0.000 0.283 242 G C -1.175 173.759 174.900 0.057 0.000 1.178 242 G CA -0.601 44.496 45.100 -0.005 0.000 0.837 242 G HN 0.538 nan 8.290 nan 0.000 0.518 243 I N 0.799 121.343 120.570 -0.044 0.000 2.582 243 I HA 0.668 4.839 4.170 0.003 0.000 0.292 243 I C 0.145 176.222 176.117 -0.066 0.000 1.066 243 I CA -0.792 60.488 61.300 -0.033 0.000 1.053 243 I CB 1.556 39.522 38.000 -0.057 0.000 1.241 243 I HN 0.658 nan 8.210 nan 0.000 0.421 244 A N 3.359 126.205 122.820 0.045 0.000 2.532 244 A HA 1.041 5.363 4.320 0.003 0.000 0.290 244 A C -0.248 177.513 177.584 0.295 0.000 1.143 244 A CA 0.030 52.117 52.037 0.085 0.000 0.728 244 A CB 2.209 21.162 19.000 -0.079 0.000 1.317 244 A HN 1.056 nan 8.150 nan 0.000 0.414 245 G N -0.979 107.999 108.800 0.296 0.000 2.404 245 G HA2 0.582 4.544 3.960 0.003 0.000 0.253 245 G HA3 0.582 4.544 3.960 0.003 0.000 0.253 245 G C -0.518 174.445 174.900 0.105 0.000 1.253 245 G CA 0.465 45.605 45.100 0.066 0.000 0.917 245 G HN 1.842 nan 8.290 nan 0.000 0.480 246 T N 0.303 114.877 114.554 0.032 0.000 2.856 246 T HA 0.818 5.170 4.350 0.003 0.000 0.283 246 T C -2.673 172.022 174.700 -0.008 0.000 1.008 246 T CA -1.499 60.628 62.100 0.045 0.000 0.997 246 T CB 2.882 71.800 68.868 0.083 0.000 0.992 246 T HN 0.522 nan 8.240 nan 0.000 0.454 247 P HA 0.236 nan 4.420 nan 0.000 0.289 247 P C -0.341 177.011 177.300 0.086 0.000 1.299 247 P CA -0.545 62.410 63.100 -0.243 0.000 0.766 247 P CB 0.477 31.614 31.700 -0.938 0.000 1.226 248 Y N -0.858 119.511 120.300 0.115 0.000 2.158 248 Y HA 0.117 4.669 4.550 0.003 0.000 0.365 248 Y C 1.622 177.698 175.900 0.293 0.000 1.301 248 Y CA -0.696 57.521 58.100 0.195 0.000 1.735 248 Y CB -0.536 38.060 38.460 0.227 0.000 1.509 248 Y HN 0.299 nan 8.280 nan 0.000 0.657 249 K N 0.675 121.317 120.400 0.404 0.000 2.451 249 K HA 0.190 4.511 4.320 0.003 0.000 0.280 249 K C -0.428 176.344 176.600 0.287 0.000 1.020 249 K CA -0.192 56.281 56.287 0.310 0.000 1.008 249 K CB 0.372 32.990 32.500 0.196 0.000 0.917 249 K HN 0.485 nan 8.250 nan 0.000 0.478 250 V N 4.302 124.322 119.914 0.177 0.000 2.694 250 V HA -0.048 4.074 4.120 0.003 0.000 0.306 250 V C -0.301 175.706 176.094 -0.145 0.000 1.054 250 V CA 0.621 62.760 62.300 -0.268 0.000 1.161 250 V CB 0.420 32.078 31.823 -0.274 0.000 0.916 250 V HN 0.946 nan 8.190 nan 0.000 0.490 251 N N 4.091 122.631 118.700 -0.266 0.000 2.726 251 N HA 0.157 4.898 4.740 0.003 0.000 0.253 251 N C -0.794 174.737 175.510 0.035 0.000 1.530 251 N CA -0.456 52.590 53.050 -0.006 0.000 0.772 251 N CB 0.076 38.651 38.487 0.146 0.000 1.220 251 N HN 0.784 nan 8.380 nan 0.000 0.508 252 H N 1.717 120.738 119.070 -0.082 0.000 3.092 252 H HA 0.169 4.727 4.556 0.003 0.000 0.263 252 H C 0.877 176.226 175.328 0.035 0.000 1.611 252 H CA -0.008 56.027 56.048 -0.022 0.000 1.457 252 H CB 0.117 29.895 29.762 0.026 0.000 1.731 252 H HN 0.581 nan 8.280 nan 0.000 0.532 253 E N 1.663 121.994 120.200 0.218 0.000 2.431 253 E HA 0.043 4.394 4.350 0.003 0.000 0.200 253 E C -0.372 176.286 176.600 0.097 0.000 0.995 253 E CA -0.250 56.214 56.400 0.107 0.000 0.915 253 E CB 0.545 30.306 29.700 0.102 0.000 0.930 253 E HN 0.392 nan 8.360 nan 0.000 0.496 254 N N 1.088 119.899 118.700 0.186 0.000 2.384 254 N HA 0.217 4.959 4.740 0.003 0.000 0.301 254 N C -1.056 174.559 175.510 0.174 0.000 1.133 254 N CA -0.838 52.300 53.050 0.147 0.000 0.853 254 N CB 1.000 39.584 38.487 0.162 0.000 1.241 254 N HN -0.020 nan 8.380 nan 0.000 0.502 255 N N 0.731 119.491 118.700 0.100 0.000 2.483 255 N HA 0.149 4.890 4.740 0.003 0.000 0.264 255 N C 1.152 176.732 175.510 0.116 0.000 1.197 255 N CA 0.689 53.802 53.050 0.105 0.000 0.927 255 N CB 0.893 39.407 38.487 0.044 0.000 1.065 255 N HN 0.908 nan 8.380 nan 0.000 0.461 256 G N 0.908 109.798 108.800 0.149 0.000 2.184 256 G HA2 -0.257 3.704 3.960 0.003 0.000 0.264 256 G HA3 -0.257 3.704 3.960 0.003 0.000 0.264 256 G C -0.169 174.762 174.900 0.052 0.000 0.975 256 G CA 0.215 45.354 45.100 0.064 0.000 0.642 256 G HN 0.481 nan 8.290 nan 0.000 0.536 257 L N -0.317 120.970 121.223 0.105 0.000 2.371 257 L HA 0.808 5.149 4.340 0.003 0.000 0.262 257 L C -0.301 176.590 176.870 0.035 0.000 1.006 257 L CA -1.168 53.722 54.840 0.084 0.000 0.818 257 L CB 2.503 44.637 42.059 0.125 0.000 1.354 257 L HN 0.137 nan 8.230 nan 0.000 0.415 258 I N 0.916 121.480 120.570 -0.009 0.000 2.439 258 I HA 0.636 4.808 4.170 0.003 0.000 0.285 258 I C -0.094 176.006 176.117 -0.027 0.000 1.021 258 I CA -0.107 61.089 61.300 -0.173 0.000 1.091 258 I CB 1.449 39.204 38.000 -0.409 0.000 1.242 258 I HN 0.644 nan 8.210 nan 0.000 0.439 259 G N 5.876 114.629 108.800 -0.079 0.000 2.461 259 G HA2 0.670 4.632 3.960 0.003 0.000 0.329 259 G HA3 0.670 4.632 3.960 0.003 0.000 0.329 259 G C -1.551 173.160 174.900 -0.315 0.000 1.170 259 G CA -0.357 44.735 45.100 -0.013 0.000 0.935 259 G HN 0.462 nan 8.290 nan 0.000 0.492 260 F N -0.475 119.482 119.950 0.012 0.000 2.581 260 F HA 0.646 5.175 4.527 0.003 0.000 0.311 260 F C 0.683 176.683 175.800 0.332 0.000 1.113 260 F CA 0.304 58.391 58.000 0.144 0.000 0.935 260 F CB 2.227 41.295 39.000 0.115 0.000 1.232 260 F HN 1.171 nan 8.300 nan 0.000 0.445 261 G N 2.489 111.616 108.800 0.545 0.000 2.725 261 G HA2 -0.099 3.863 3.960 0.003 0.000 0.220 261 G HA3 -0.099 3.863 3.960 0.003 0.000 0.220 261 G C -1.521 173.684 174.900 0.508 0.000 1.357 261 G CA -0.699 44.704 45.100 0.506 0.000 0.866 261 G HN 0.941 nan 8.290 nan 0.000 0.548 262 N N -0.427 118.500 118.700 0.379 0.000 2.461 262 N HA 0.486 5.227 4.740 0.003 0.000 0.284 262 N C 1.395 176.974 175.510 0.115 0.000 1.049 262 N CA 0.379 53.557 53.050 0.212 0.000 0.889 262 N CB 1.695 40.257 38.487 0.124 0.000 1.365 262 N HN 1.151 nan 8.380 nan 0.000 0.499 263 S N 3.318 118.915 115.700 -0.171 0.000 2.442 263 S HA -0.086 4.386 4.470 0.003 0.000 0.236 263 S C 1.207 175.722 174.600 -0.141 0.000 1.007 263 S CA 0.694 58.737 58.200 -0.261 0.000 0.965 263 S CB -0.064 62.634 63.200 -0.836 0.000 0.773 263 S HN 0.537 nan 8.310 nan 0.000 0.504 264 K N 1.270 121.601 120.400 -0.114 0.000 2.288 264 K HA 0.152 4.474 4.320 0.003 0.000 0.201 264 K C 0.525 177.097 176.600 -0.048 0.000 1.048 264 K CA 0.433 56.671 56.287 -0.083 0.000 0.956 264 K CB -0.165 32.292 32.500 -0.072 0.000 0.746 264 K HN 0.621 nan 8.250 nan 0.000 0.461 265 E N 1.747 121.946 120.200 -0.002 0.000 2.383 265 E HA 0.022 4.374 4.350 0.003 0.000 0.264 265 E C -0.347 176.236 176.600 -0.028 0.000 1.050 265 E CA 0.135 56.528 56.400 -0.011 0.000 0.896 265 E CB 0.623 30.383 29.700 0.101 0.000 0.982 265 E HN 0.040 nan 8.360 nan 0.000 0.424 266 E N 2.515 122.621 120.200 -0.157 0.000 2.155 266 E HA 0.215 4.567 4.350 0.003 0.000 0.264 266 E C -0.584 175.846 176.600 -0.284 0.000 0.886 266 E CA -0.408 55.911 56.400 -0.134 0.000 0.752 266 E CB 1.170 30.802 29.700 -0.113 0.000 1.133 266 E HN 0.496 nan 8.360 nan 0.000 0.414 267 H N 1.766 120.797 119.070 -0.065 0.000 2.355 267 H HA 0.105 4.663 4.556 0.003 0.000 0.232 267 H C 1.108 176.409 175.328 -0.045 0.000 1.422 267 H CA -0.182 55.824 56.048 -0.071 0.000 1.261 267 H CB 0.953 30.642 29.762 -0.122 0.000 1.595 267 H HN 0.449 nan 8.280 nan 0.000 0.529 268 S N 0.671 116.386 115.700 0.025 0.000 2.365 268 S HA -0.151 4.320 4.470 0.003 0.000 0.225 268 S C 0.924 175.576 174.600 0.086 0.000 1.039 268 S CA 1.134 59.359 58.200 0.041 0.000 1.033 268 S CB 0.053 63.264 63.200 0.018 0.000 0.887 268 S HN 0.525 nan 8.310 nan 0.000 0.447 269 D N 1.205 121.662 120.400 0.095 0.000 2.380 269 D HA 0.250 4.892 4.640 0.003 0.000 0.230 269 D C -2.128 174.246 176.300 0.124 0.000 1.154 269 D CA -2.004 52.094 54.000 0.163 0.000 0.859 269 D CB 1.691 42.584 40.800 0.154 0.000 1.045 269 D HN 0.237 nan 8.370 nan 0.000 0.495 270 P HA 0.120 nan 4.420 nan 0.000 0.263 270 P C 0.995 178.198 177.300 -0.162 0.000 1.448 270 P CA -0.136 62.966 63.100 0.004 0.000 0.983 270 P CB 0.523 32.239 31.700 0.028 0.000 1.481 271 K N 1.023 121.208 120.400 -0.359 0.000 2.044 271 K HA -0.134 4.188 4.320 0.003 0.000 0.210 271 K C 2.142 178.598 176.600 -0.239 0.000 1.049 271 K CA 2.050 58.002 56.287 -0.558 0.000 0.927 271 K CB -0.863 31.265 32.500 -0.619 0.000 0.713 271 K HN 0.118 nan 8.250 nan 0.000 0.443 272 G N 1.260 109.979 108.800 -0.134 0.000 2.433 272 G HA2 -0.265 3.697 3.960 0.003 0.000 0.216 272 G HA3 -0.265 3.697 3.960 0.003 0.000 0.216 272 G C 1.499 176.335 174.900 -0.107 0.000 1.186 272 G CA 0.842 45.895 45.100 -0.078 0.000 0.779 272 G HN 0.386 nan 8.290 nan 0.000 0.543 273 I N 0.297 120.753 120.570 -0.190 0.000 2.394 273 I HA -0.004 4.167 4.170 0.003 0.000 0.251 273 I C 2.243 178.274 176.117 -0.144 0.000 1.136 273 I CA 0.667 61.757 61.300 -0.350 0.000 1.425 273 I CB 0.088 37.577 38.000 -0.852 0.000 1.079 273 I HN 0.098 nan 8.210 nan 0.000 0.425 274 L N 0.156 121.351 121.223 -0.045 0.000 2.552 274 L HA -0.037 4.305 4.340 0.003 0.000 0.227 274 L C 1.794 178.710 176.870 0.077 0.000 1.146 274 L CA 0.788 55.679 54.840 0.084 0.000 0.858 274 L CB -0.349 41.743 42.059 0.054 0.000 0.969 274 L HN 0.342 nan 8.230 nan 0.000 0.451 275 S N -2.155 113.556 115.700 0.019 0.000 2.593 275 S HA -0.001 4.471 4.470 0.003 0.000 0.236 275 S C 1.531 176.153 174.600 0.037 0.000 0.991 275 S CA -0.498 57.722 58.200 0.034 0.000 0.963 275 S CB 0.142 63.343 63.200 0.003 0.000 0.865 275 S HN 0.527 nan 8.310 nan 0.000 0.488 276 Q N 0.880 120.704 119.800 0.040 0.000 2.224 276 Q HA 0.057 4.398 4.340 0.003 0.000 0.203 276 Q C -0.309 175.730 176.000 0.065 0.000 0.970 276 Q CA 0.921 56.751 55.803 0.045 0.000 0.865 276 Q CB -0.186 28.576 28.738 0.040 0.000 0.922 276 Q HN 0.441 nan 8.270 nan 0.000 0.445 277 D N -0.356 120.090 120.400 0.076 0.000 2.552 277 D HA 0.221 4.863 4.640 0.003 0.000 0.239 277 D C -2.184 174.137 176.300 0.035 0.000 1.139 277 D CA -2.026 52.008 54.000 0.057 0.000 0.914 277 D CB 1.963 42.803 40.800 0.068 0.000 1.461 277 D HN -0.279 nan 8.370 nan 0.000 0.462 278 P HA -0.065 nan 4.420 nan 0.000 0.216 278 P C 0.613 177.844 177.300 -0.116 0.000 1.157 278 P CA 1.313 64.377 63.100 -0.060 0.000 0.880 278 P CB 0.352 31.991 31.700 -0.101 0.000 0.791 279 L N -1.686 119.426 121.223 -0.185 0.000 3.141 279 L HA 0.226 4.568 4.340 0.003 0.000 0.263 279 L C 0.063 177.014 176.870 0.135 0.000 1.312 279 L CA -0.456 54.269 54.840 -0.192 0.000 1.012 279 L CB -0.329 41.304 42.059 -0.710 0.000 1.408 279 L HN -0.166 nan 8.230 nan 0.000 0.559 280 T N 0.860 115.524 114.554 0.183 0.000 2.946 280 T HA 0.055 4.407 4.350 0.003 0.000 0.312 280 T C 0.195 175.022 174.700 0.212 0.000 1.066 280 T CA 0.475 62.692 62.100 0.196 0.000 1.138 280 T CB 0.388 69.393 68.868 0.228 0.000 1.014 280 T HN 0.225 nan 8.240 nan 0.000 0.544 281 N N 0.810 119.575 118.700 0.109 0.000 2.240 281 N HA 0.382 5.124 4.740 0.003 0.000 0.302 281 N C -1.617 173.877 175.510 -0.026 0.000 1.106 281 N CA -0.675 52.394 53.050 0.032 0.000 0.778 281 N CB 1.296 39.766 38.487 -0.029 0.000 1.431 281 N HN 0.621 nan 8.380 nan 0.000 0.479 282 Y N 1.242 121.455 120.300 -0.145 0.000 2.356 282 Y HA 0.664 5.216 4.550 0.003 0.000 0.334 282 Y C -0.502 175.285 175.900 -0.187 0.000 0.958 282 Y CA -1.272 56.693 58.100 -0.225 0.000 1.196 282 Y CB 0.461 38.910 38.460 -0.018 0.000 1.137 282 Y HN 0.634 nan 8.280 nan 0.000 0.485 283 A N 5.893 128.306 122.820 -0.678 0.000 2.401 283 A HA 0.646 4.968 4.320 0.003 0.000 0.259 283 A C -0.308 176.748 177.584 -0.880 0.000 1.103 283 A CA 0.271 51.812 52.037 -0.827 0.000 0.789 283 A CB -0.017 18.128 19.000 -1.424 0.000 1.035 283 A HN 1.051 nan 8.150 nan 0.000 0.491 284 V N 0.944 120.414 119.914 -0.741 0.000 3.204 284 V HA 0.627 4.749 4.120 0.003 0.000 0.308 284 V C 0.226 175.712 176.094 -1.014 0.000 1.324 284 V CA -1.227 60.411 62.300 -1.102 0.000 1.042 284 V CB 0.214 31.776 31.823 -0.434 0.000 1.167 284 V HN 0.749 nan 8.190 nan 0.000 0.478 285 L N 1.482 122.168 121.223 -0.895 0.000 2.525 285 L HA 0.414 4.756 4.340 0.003 0.000 0.278 285 L C 1.630 178.359 176.870 -0.236 0.000 1.218 285 L CA 1.392 55.998 54.840 -0.390 0.000 0.878 285 L CB -0.117 41.936 42.059 -0.009 0.000 1.127 285 L HN 1.298 nan 8.230 nan 0.000 0.492 286 G N 1.714 110.406 108.800 -0.179 0.000 2.225 286 G HA2 -0.261 3.701 3.960 0.003 0.000 0.254 286 G HA3 -0.261 3.701 3.960 0.003 0.000 0.254 286 G C 0.659 175.440 174.900 -0.199 0.000 0.988 286 G CA 0.244 45.197 45.100 -0.245 0.000 0.625 286 G HN 0.713 nan 8.290 nan 0.000 0.527 287 D N 0.995 121.257 120.400 -0.229 0.000 2.349 287 D HA 0.161 4.803 4.640 0.003 0.000 0.215 287 D C 1.214 177.489 176.300 -0.042 0.000 1.016 287 D CA 0.639 54.513 54.000 -0.210 0.000 0.870 287 D CB 0.126 40.666 40.800 -0.435 0.000 0.917 287 D HN 0.375 nan 8.370 nan 0.000 0.524 288 S N -0.472 115.229 115.700 0.001 0.000 2.552 288 S HA 0.279 4.751 4.470 0.003 0.000 0.289 288 S C 1.554 176.123 174.600 -0.051 0.000 1.304 288 S CA 0.694 58.890 58.200 -0.007 0.000 1.063 288 S CB 1.076 64.246 63.200 -0.050 0.000 0.848 288 S HN 0.467 nan 8.310 nan 0.000 0.499 289 G N 2.270 111.042 108.800 -0.046 0.000 2.253 289 G HA2 -0.318 3.644 3.960 0.003 0.000 0.251 289 G HA3 -0.318 3.644 3.960 0.003 0.000 0.251 289 G C 0.303 175.261 174.900 0.098 0.000 0.998 289 G CA 0.231 45.325 45.100 -0.011 0.000 0.621 289 G HN 1.282 nan 8.290 nan 0.000 0.524 290 S N 1.857 117.615 115.700 0.096 0.000 2.572 290 S HA 0.603 5.075 4.470 0.003 0.000 0.279 290 S C -1.814 172.937 174.600 0.252 0.000 1.341 290 S CA -0.481 57.787 58.200 0.113 0.000 1.043 290 S CB 2.104 65.305 63.200 0.001 0.000 0.887 290 S HN 0.451 nan 8.310 nan 0.000 0.516 291 P HA 0.390 nan 4.420 nan 0.000 0.281 291 P C -1.063 176.116 177.300 -0.200 0.000 1.249 291 P CA -0.711 62.436 63.100 0.079 0.000 0.810 291 P CB 0.903 32.596 31.700 -0.012 0.000 1.008 292 L N 3.014 123.852 121.223 -0.642 0.000 2.329 292 L HA 0.611 4.953 4.340 0.003 0.000 0.279 292 L C -1.287 175.040 176.870 -0.904 0.000 1.014 292 L CA -0.508 53.762 54.840 -0.949 0.000 0.814 292 L CB 0.734 41.835 42.059 -1.596 0.000 1.257 292 L HN 0.159 nan 8.230 nan 0.000 0.424 293 F N 3.819 123.689 119.950 -0.134 0.000 2.561 293 F HA 0.747 5.276 4.527 0.003 0.000 0.321 293 F C -0.278 175.681 175.800 0.264 0.000 1.065 293 F CA -0.856 57.184 58.000 0.067 0.000 0.934 293 F CB 2.143 41.193 39.000 0.085 0.000 1.215 293 F HN 0.290 nan 8.300 nan 0.000 0.471 294 V N 2.485 122.677 119.914 0.464 0.000 2.709 294 V HA 0.447 4.569 4.120 0.003 0.000 0.308 294 V C -1.794 174.350 176.094 0.083 0.000 1.062 294 V CA -0.833 61.560 62.300 0.155 0.000 0.901 294 V CB 1.876 33.623 31.823 -0.127 0.000 1.003 294 V HN 0.650 nan 8.190 nan 0.000 0.425 295 Y N 5.154 125.120 120.300 -0.556 0.000 2.404 295 Y HA 0.407 4.959 4.550 0.003 0.000 0.344 295 Y C 0.242 175.945 175.900 -0.330 0.000 0.995 295 Y CA -0.169 57.425 58.100 -0.842 0.000 1.201 295 Y CB 0.903 38.570 38.460 -1.323 0.000 1.151 295 Y HN 0.744 nan 8.280 nan 0.000 0.517 296 D N 6.556 126.593 120.400 -0.605 0.000 2.396 296 D HA 0.109 4.751 4.640 0.003 0.000 0.225 296 D C 1.049 177.027 176.300 -0.536 0.000 1.121 296 D CA -0.133 53.668 54.000 -0.331 0.000 0.853 296 D CB 0.780 41.500 40.800 -0.133 0.000 1.043 296 D HN 0.829 nan 8.370 nan 0.000 0.500 297 R N 3.082 123.387 120.500 -0.326 0.000 2.096 297 R HA -0.131 4.210 4.340 0.003 0.000 0.235 297 R C 1.243 177.432 176.300 -0.185 0.000 1.127 297 R CA 1.153 57.150 56.100 -0.171 0.000 0.968 297 R CB 0.297 30.539 30.300 -0.098 0.000 0.861 297 R HN 0.391 nan 8.270 nan 0.000 0.440 298 E N 0.712 120.788 120.200 -0.207 0.000 2.072 298 E HA -0.149 4.203 4.350 0.003 0.000 0.191 298 E C 1.652 178.170 176.600 -0.135 0.000 0.985 298 E CA 1.273 57.585 56.400 -0.147 0.000 0.801 298 E CB 0.038 29.659 29.700 -0.132 0.000 0.750 298 E HN 0.386 nan 8.360 nan 0.000 0.452 299 K N -0.483 119.814 120.400 -0.171 0.000 2.418 299 K HA 0.075 4.397 4.320 0.003 0.000 0.195 299 K C 0.832 177.313 176.600 -0.198 0.000 1.035 299 K CA 0.539 56.734 56.287 -0.153 0.000 1.003 299 K CB 0.269 32.690 32.500 -0.132 0.000 0.793 299 K HN 0.178 nan 8.250 nan 0.000 0.494 300 G N 3.149 111.771 108.800 -0.298 0.000 2.338 300 G HA2 -0.313 3.649 3.960 0.003 0.000 0.296 300 G HA3 -0.313 3.649 3.960 0.003 0.000 0.296 300 G C -0.411 174.277 174.900 -0.353 0.000 1.040 300 G CA 1.118 46.053 45.100 -0.275 0.000 1.004 300 G HN 0.445 nan 8.290 nan 0.000 0.509 301 K N -2.061 117.898 120.400 -0.735 0.000 2.597 301 K HA 0.466 4.787 4.320 0.003 0.000 0.282 301 K C -0.697 175.557 176.600 -0.575 0.000 0.975 301 K CA -1.562 54.461 56.287 -0.440 0.000 0.867 301 K CB 0.960 33.375 32.500 -0.142 0.000 1.465 301 K HN 0.049 nan 8.250 nan 0.000 0.417 302 W N 1.903 123.143 121.300 -0.100 0.000 2.190 302 W HA 0.407 5.069 4.660 0.003 0.000 0.330 302 W C -0.178 176.350 176.519 0.015 0.000 1.299 302 W CA -0.310 57.032 57.345 -0.005 0.000 1.215 302 W CB 0.678 30.128 29.460 -0.017 0.000 1.147 302 W HN 0.259 nan 8.180 nan 0.000 0.563 303 L N 3.730 125.175 121.223 0.370 0.000 2.388 303 L HA 0.420 4.762 4.340 0.003 0.000 0.264 303 L C -0.445 176.691 176.870 0.442 0.000 0.998 303 L CA -1.440 53.581 54.840 0.303 0.000 0.817 303 L CB 1.370 43.524 42.059 0.157 0.000 1.338 303 L HN 0.205 nan 8.230 nan 0.000 0.414 304 F N 1.825 121.923 119.950 0.247 0.000 2.538 304 F HA 0.130 4.659 4.527 0.003 0.000 0.371 304 F C 0.371 176.139 175.800 -0.054 0.000 1.087 304 F CA 0.112 58.146 58.000 0.056 0.000 1.250 304 F CB 0.824 39.810 39.000 -0.024 0.000 1.110 304 F HN 0.358 nan 8.300 nan 0.000 0.570 305 L N 4.698 125.323 121.223 -0.998 0.000 2.526 305 L HA 0.655 4.996 4.340 0.003 0.000 0.210 305 L C 0.532 176.853 176.870 -0.916 0.000 1.048 305 L CA 1.221 55.607 54.840 -0.757 0.000 0.852 305 L CB 0.066 41.803 42.059 -0.537 0.000 1.128 305 L HN 0.754 nan 8.230 nan 0.000 0.482 306 G N -1.671 106.384 108.800 -1.241 0.000 2.495 306 G HA2 0.504 4.466 3.960 0.003 0.000 0.294 306 G HA3 0.504 4.466 3.960 0.003 0.000 0.294 306 G C -1.730 173.135 174.900 -0.057 0.000 1.397 306 G CA -0.256 44.551 45.100 -0.488 0.000 0.790 306 G HN -0.036 nan 8.290 nan 0.000 0.486 307 S N -0.897 115.003 115.700 0.334 0.000 2.526 307 S HA 0.521 4.993 4.470 0.003 0.000 0.293 307 S C -1.257 173.519 174.600 0.294 0.000 1.092 307 S CA -0.455 57.991 58.200 0.410 0.000 0.980 307 S CB 1.618 64.990 63.200 0.286 0.000 1.048 307 S HN 0.576 nan 8.310 nan 0.000 0.483 308 Y N 4.204 124.460 120.300 -0.073 0.000 2.544 308 Y HA 0.099 4.650 4.550 0.003 0.000 0.330 308 Y C 1.303 177.010 175.900 -0.321 0.000 1.136 308 Y CA -0.209 57.510 58.100 -0.636 0.000 1.417 308 Y CB 0.410 38.440 38.460 -0.717 0.000 1.229 308 Y HN 0.842 nan 8.280 nan 0.000 0.532 309 D N 4.005 124.072 120.400 -0.555 0.000 2.457 309 D HA 0.013 4.655 4.640 0.003 0.000 0.254 309 D C -0.393 175.801 176.300 -0.177 0.000 1.097 309 D CA 0.261 54.122 54.000 -0.233 0.000 0.870 309 D CB 0.268 41.026 40.800 -0.069 0.000 1.253 309 D HN 0.303 nan 8.370 nan 0.000 0.500 310 F N 0.468 119.986 119.950 -0.720 0.000 2.741 310 F HA 0.541 5.070 4.527 0.003 0.000 0.313 310 F C -1.795 173.742 175.800 -0.438 0.000 1.153 310 F CA -0.959 56.837 58.000 -0.339 0.000 0.931 310 F CB 1.595 40.577 39.000 -0.029 0.000 1.335 310 F HN 0.061 nan 8.300 nan 0.000 0.460 311 W N 1.150 121.903 121.300 -0.913 0.000 2.881 311 W HA 0.662 5.324 4.660 0.003 0.000 0.380 311 W C -1.314 175.007 176.519 -0.331 0.000 1.170 311 W CA -0.706 56.291 57.345 -0.580 0.000 1.171 311 W CB 0.723 29.868 29.460 -0.526 0.000 1.464 311 W HN 0.772 nan 8.180 nan 0.000 0.574 312 A N 0.803 123.539 122.820 -0.139 0.000 2.308 312 A HA 0.572 4.893 4.320 0.003 0.000 0.217 312 A C 1.119 178.303 177.584 -0.667 0.000 1.216 312 A CA 1.181 53.081 52.037 -0.229 0.000 0.864 312 A CB -0.962 18.147 19.000 0.182 0.000 0.902 312 A HN 2.238 nan 8.150 nan 0.000 0.499 313 G N -2.023 105.834 108.800 -1.572 0.000 2.710 313 G HA2 -0.186 3.775 3.960 0.003 0.000 0.668 313 G HA3 -0.186 3.775 3.960 0.003 0.000 0.668 313 G C 0.025 174.434 174.900 -0.820 0.000 1.320 313 G CA -0.073 43.991 45.100 -1.727 0.000 0.860 313 G HN 0.233 nan 8.290 nan 0.000 0.538 314 Y N 0.541 120.663 120.300 -0.297 0.000 2.519 314 Y HA 0.069 4.621 4.550 0.003 0.000 0.287 314 Y C 2.570 178.471 175.900 0.001 0.000 1.128 314 Y CA 1.351 59.481 58.100 0.049 0.000 1.282 314 Y CB -0.127 38.430 38.460 0.162 0.000 1.027 314 Y HN 0.607 nan 8.280 nan 0.000 0.551 315 N N 0.307 119.051 118.700 0.074 0.000 2.176 315 N HA -0.096 4.645 4.740 0.003 0.000 0.187 315 N C 1.595 177.107 175.510 0.002 0.000 1.043 315 N CA 1.499 54.571 53.050 0.037 0.000 0.851 315 N CB 0.011 38.499 38.487 0.002 0.000 1.018 315 N HN 0.057 nan 8.380 nan 0.000 0.436 316 K N 0.444 120.818 120.400 -0.045 0.000 2.103 316 K HA 0.013 4.335 4.320 0.003 0.000 0.204 316 K C 0.056 176.644 176.600 -0.021 0.000 1.052 316 K CA 0.743 57.012 56.287 -0.029 0.000 0.945 316 K CB 0.006 32.480 32.500 -0.044 0.000 0.722 316 K HN 0.182 nan 8.250 nan 0.000 0.443 317 K N 0.244 120.587 120.400 -0.096 0.000 3.020 317 K HA -0.169 4.152 4.320 0.003 0.000 0.266 317 K C 0.659 177.018 176.600 -0.402 0.000 1.067 317 K CA 0.780 56.774 56.287 -0.489 0.000 0.780 317 K CB -1.821 30.466 32.500 -0.355 0.000 1.220 317 K HN 0.381 nan 8.250 nan 0.000 0.483 318 S N -1.706 114.034 115.700 0.067 0.000 2.526 318 S HA 0.193 4.665 4.470 0.003 0.000 0.220 318 S C -0.094 174.857 174.600 0.585 0.000 1.017 318 S CA -0.321 58.029 58.200 0.251 0.000 0.930 318 S CB 0.084 63.446 63.200 0.270 0.000 0.856 318 S HN 0.460 nan 8.310 nan 0.000 0.497 319 W N 1.343 122.928 121.300 0.474 0.000 3.479 319 W HA 0.545 5.207 4.660 0.003 0.000 0.304 319 W C -2.387 174.377 176.519 0.408 0.000 1.243 319 W CA -0.372 57.230 57.345 0.429 0.000 1.202 319 W CB 0.947 30.539 29.460 0.220 0.000 1.346 319 W HN 0.035 nan 8.180 nan 0.000 0.539 320 Q N 3.737 123.296 119.800 -0.402 0.000 2.345 320 Q HA 0.404 4.745 4.340 0.003 0.000 0.275 320 Q C -1.625 173.902 176.000 -0.788 0.000 1.063 320 Q CA -1.106 54.416 55.803 -0.468 0.000 0.819 320 Q CB 3.324 32.001 28.738 -0.102 0.000 1.356 320 Q HN 0.518 nan 8.270 nan 0.000 0.418 321 E N 2.036 121.688 120.200 -0.913 0.000 2.275 321 E HA 0.369 4.721 4.350 0.003 0.000 0.270 321 E C -1.455 174.902 176.600 -0.406 0.000 0.882 321 E CA -0.497 55.584 56.400 -0.532 0.000 0.758 321 E CB 1.717 31.058 29.700 -0.598 0.000 1.195 321 E HN 0.481 nan 8.360 nan 0.000 0.419 322 W N 2.547 123.830 121.300 -0.028 0.000 2.627 322 W HA 0.330 4.992 4.660 0.003 0.000 0.339 322 W C 0.116 176.620 176.519 -0.025 0.000 1.058 322 W CA -0.839 56.507 57.345 0.002 0.000 1.223 322 W CB 1.796 31.257 29.460 0.003 0.000 1.389 322 W HN 0.470 nan 8.180 nan 0.000 0.541 323 N N 2.331 121.155 118.700 0.206 0.000 2.434 323 N HA 0.294 5.036 4.740 0.003 0.000 0.272 323 N C -0.605 175.012 175.510 0.178 0.000 1.040 323 N CA -0.136 53.004 53.050 0.150 0.000 0.956 323 N CB 0.595 39.180 38.487 0.164 0.000 1.108 323 N HN 0.265 nan 8.380 nan 0.000 0.481 324 I N 3.436 124.056 120.570 0.084 0.000 2.529 324 I HA 0.014 4.186 4.170 0.003 0.000 0.284 324 I C 0.492 176.714 176.117 0.175 0.000 1.082 324 I CA -0.739 60.600 61.300 0.065 0.000 1.406 324 I CB 0.249 38.267 38.000 0.029 0.000 1.405 324 I HN 0.495 nan 8.210 nan 0.000 0.548 325 Y N 7.058 127.453 120.300 0.159 0.000 2.987 325 Y HA -0.145 4.407 4.550 0.003 0.000 0.339 325 Y C -0.015 175.987 175.900 0.171 0.000 1.272 325 Y CA 0.272 58.593 58.100 0.368 0.000 1.562 325 Y CB 0.205 38.900 38.460 0.390 0.000 1.253 325 Y HN 0.406 nan 8.280 nan 0.000 0.604 326 K N 9.026 129.088 120.400 -0.565 0.000 2.414 326 K HA 0.196 4.517 4.320 0.003 0.000 0.251 326 K C -2.061 174.206 176.600 -0.555 0.000 1.037 326 K CA -1.662 54.319 56.287 -0.510 0.000 0.980 326 K CB 1.231 33.361 32.500 -0.617 0.000 1.280 326 K HN 0.479 nan 8.250 nan 0.000 0.451 327 P HA -0.130 nan 4.420 nan 0.000 0.219 327 P C 0.903 178.183 177.300 -0.034 0.000 1.150 327 P CA 1.019 64.034 63.100 -0.142 0.000 0.814 327 P CB 0.548 32.318 31.700 0.118 0.000 0.787 328 E N -0.661 119.540 120.200 0.002 0.000 2.072 328 E HA -0.133 4.218 4.350 0.003 0.000 0.191 328 E C 1.750 178.402 176.600 0.088 0.000 0.985 328 E CA 0.780 57.207 56.400 0.044 0.000 0.801 328 E CB -1.183 28.553 29.700 0.060 0.000 0.750 328 E HN 0.098 nan 8.360 nan 0.000 0.452 329 F N 0.613 120.541 119.950 -0.036 0.000 2.134 329 F HA -0.105 4.424 4.527 0.003 0.000 0.299 329 F C 2.010 177.807 175.800 -0.005 0.000 1.097 329 F CA 1.425 59.438 58.000 0.021 0.000 1.264 329 F CB -0.671 38.397 39.000 0.113 0.000 1.001 329 F HN 0.062 nan 8.300 nan 0.000 0.479 330 A N 0.180 122.963 122.820 -0.062 0.000 1.908 330 A HA -0.282 4.040 4.320 0.003 0.000 0.218 330 A C 2.317 179.784 177.584 -0.194 0.000 1.181 330 A CA 2.046 53.996 52.037 -0.145 0.000 0.627 330 A CB -0.914 18.087 19.000 0.003 0.000 0.818 330 A HN 0.475 nan 8.150 nan 0.000 0.445 331 K N -0.987 119.345 120.400 -0.114 0.000 2.026 331 K HA -0.145 4.177 4.320 0.003 0.000 0.208 331 K C 2.014 178.525 176.600 -0.148 0.000 1.048 331 K CA 1.956 58.179 56.287 -0.107 0.000 0.929 331 K CB -0.408 32.061 32.500 -0.051 0.000 0.713 331 K HN 0.420 nan 8.250 nan 0.000 0.439 332 T N 0.550 115.005 114.554 -0.165 0.000 2.746 332 T HA -0.114 4.237 4.350 0.003 0.000 0.267 332 T C 1.832 176.384 174.700 -0.248 0.000 1.039 332 T CA 1.485 63.480 62.100 -0.176 0.000 1.142 332 T CB -0.130 68.651 68.868 -0.145 0.000 0.866 332 T HN 0.020 nan 8.240 nan 0.000 0.444 333 V N 1.405 121.078 119.914 -0.402 0.000 2.307 333 V HA -0.087 4.035 4.120 0.003 0.000 0.245 333 V C 2.486 178.417 176.094 -0.271 0.000 1.045 333 V CA 1.417 63.490 62.300 -0.378 0.000 1.024 333 V CB -0.669 30.839 31.823 -0.524 0.000 0.651 333 V HN 0.425 nan 8.190 nan 0.000 0.449 334 L N 0.138 121.167 121.223 -0.323 0.000 2.046 334 L HA -0.220 4.121 4.340 0.003 0.000 0.208 334 L C 2.366 179.154 176.870 -0.136 0.000 1.077 334 L CA 2.185 56.873 54.840 -0.253 0.000 0.747 334 L CB -0.683 41.216 42.059 -0.267 0.000 0.896 334 L HN 0.428 nan 8.230 nan 0.000 0.432 335 D N 0.250 120.572 120.400 -0.130 0.000 2.144 335 D HA -0.250 4.391 4.640 0.003 0.000 0.199 335 D C 2.221 178.482 176.300 -0.065 0.000 0.984 335 D CA 1.216 55.162 54.000 -0.090 0.000 0.834 335 D CB 0.083 40.834 40.800 -0.081 0.000 0.955 335 D HN 0.091 nan 8.370 nan 0.000 0.465 336 K N -0.204 120.155 120.400 -0.069 0.000 2.103 336 K HA -0.152 4.170 4.320 0.003 0.000 0.207 336 K C 0.661 177.253 176.600 -0.014 0.000 1.048 336 K CA 1.652 57.913 56.287 -0.043 0.000 0.930 336 K CB 0.085 32.556 32.500 -0.050 0.000 0.716 336 K HN 0.119 nan 8.250 nan 0.000 0.444 337 D N -0.017 120.391 120.400 0.013 0.000 2.339 337 D HA -0.010 4.632 4.640 0.003 0.000 0.217 337 D C -0.049 176.297 176.300 0.076 0.000 1.050 337 D CA 0.440 54.485 54.000 0.074 0.000 0.856 337 D CB 0.730 41.644 40.800 0.190 0.000 0.922 337 D HN 0.097 nan 8.370 nan 0.000 0.518 338 T N -0.652 113.916 114.554 0.024 0.000 2.824 338 T HA 0.520 4.872 4.350 0.003 0.000 0.280 338 T C 1.151 175.846 174.700 -0.008 0.000 0.995 338 T CA -0.481 61.629 62.100 0.015 0.000 1.009 338 T CB 1.695 70.541 68.868 -0.037 0.000 0.955 338 T HN -0.058 nan 8.240 nan 0.000 0.452 339 A N 3.555 126.373 122.820 -0.004 0.000 1.969 339 A HA 0.531 4.853 4.320 0.003 0.000 0.218 339 A C 1.402 178.956 177.584 -0.050 0.000 1.169 339 A CA 1.364 53.385 52.037 -0.026 0.000 0.635 339 A CB -1.047 17.936 19.000 -0.028 0.000 0.810 339 A HN 1.673 nan 8.150 nan 0.000 0.445 340 G N -2.122 106.640 108.800 -0.065 0.000 2.278 340 G HA2 0.431 4.393 3.960 0.003 0.000 0.265 340 G HA3 0.431 4.393 3.960 0.003 0.000 0.265 340 G C -0.392 174.444 174.900 -0.107 0.000 1.329 340 G CA 0.150 45.203 45.100 -0.079 0.000 1.017 340 G HN 1.582 nan 8.290 nan 0.000 0.472 341 S N -1.228 114.407 115.700 -0.108 0.000 2.569 341 S HA 0.865 5.337 4.470 0.003 0.000 0.280 341 S C -0.989 173.533 174.600 -0.131 0.000 1.111 341 S CA -0.778 57.345 58.200 -0.128 0.000 0.887 341 S CB 2.130 65.276 63.200 -0.090 0.000 1.095 341 S HN 1.084 nan 8.310 nan 0.000 0.476 342 L N 1.276 122.397 121.223 -0.170 0.000 2.381 342 L HA 0.619 4.961 4.340 0.003 0.000 0.268 342 L C -0.622 176.249 176.870 0.000 0.000 0.997 342 L CA -0.596 54.164 54.840 -0.133 0.000 0.818 342 L CB 2.722 44.547 42.059 -0.389 0.000 1.310 342 L HN 0.791 nan 8.230 nan 0.000 0.416 343 T N 1.500 116.122 114.554 0.113 0.000 2.788 343 T HA 0.446 4.798 4.350 0.003 0.000 0.296 343 T C 0.242 175.113 174.700 0.285 0.000 1.009 343 T CA -0.519 61.689 62.100 0.180 0.000 0.949 343 T CB 1.282 70.216 68.868 0.110 0.000 0.946 343 T HN 0.704 nan 8.240 nan 0.000 0.453 344 G N 1.013 110.050 108.800 0.395 0.000 2.448 344 G HA2 0.471 4.433 3.960 0.003 0.000 0.285 344 G HA3 0.471 4.433 3.960 0.003 0.000 0.285 344 G C -0.239 174.726 174.900 0.108 0.000 1.176 344 G CA -0.527 44.765 45.100 0.319 0.000 0.852 344 G HN 0.590 nan 8.290 nan 0.000 0.530 345 S N 1.345 117.056 115.700 0.019 0.000 2.130 345 S HA 0.234 4.706 4.470 0.003 0.000 0.165 345 S C 0.511 175.074 174.600 -0.062 0.000 1.677 345 S CA -0.582 57.608 58.200 -0.017 0.000 1.227 345 S CB -0.636 62.562 63.200 -0.003 0.000 1.115 345 S HN 0.692 nan 8.310 nan 0.000 0.452 346 N N 1.947 120.590 118.700 -0.095 0.000 2.727 346 N HA -0.140 4.601 4.740 0.003 0.000 0.249 346 N C -0.662 174.769 175.510 -0.133 0.000 1.048 346 N CA 1.192 54.173 53.050 -0.116 0.000 0.714 346 N CB -1.424 37.015 38.487 -0.080 0.000 0.959 346 N HN 0.608 nan 8.380 nan 0.000 0.544 347 T N 1.584 116.035 114.554 -0.172 0.000 2.817 347 T HA 0.232 4.584 4.350 0.003 0.000 0.293 347 T C 0.224 174.710 174.700 -0.356 0.000 0.964 347 T CA -0.427 61.487 62.100 -0.310 0.000 1.085 347 T CB 1.112 69.681 68.868 -0.497 0.000 0.921 347 T HN -0.005 nan 8.240 nan 0.000 0.502 348 Q N 3.297 122.917 119.800 -0.301 0.000 2.421 348 Q HA 0.264 4.605 4.340 0.003 0.000 0.242 348 Q C -0.984 174.906 176.000 -0.183 0.000 1.024 348 Q CA -0.192 55.519 55.803 -0.155 0.000 0.891 348 Q CB 0.443 29.138 28.738 -0.073 0.000 1.222 348 Q HN 0.609 nan 8.270 nan 0.000 0.483 349 Y N 1.070 121.434 120.300 0.107 0.000 2.334 349 Y HA 0.246 4.797 4.550 0.003 0.000 0.328 349 Y C 0.485 176.445 175.900 0.098 0.000 1.130 349 Y CA -0.569 57.584 58.100 0.089 0.000 1.163 349 Y CB 1.191 39.699 38.460 0.080 0.000 1.207 349 Y HN 0.435 nan 8.280 nan 0.000 0.471 350 N N 1.555 120.413 118.700 0.263 0.000 2.430 350 N HA 0.186 4.928 4.740 0.003 0.000 0.292 350 N C -1.678 174.006 175.510 0.291 0.000 1.051 350 N CA -0.628 52.561 53.050 0.232 0.000 0.917 350 N CB 0.871 39.460 38.487 0.171 0.000 1.164 350 N HN 0.502 nan 8.380 nan 0.000 0.484 351 W N 2.597 123.953 121.300 0.093 0.000 2.318 351 W HA 0.394 5.056 4.660 0.003 0.000 0.315 351 W C -1.101 175.458 176.519 0.067 0.000 1.033 351 W CA -1.258 56.134 57.345 0.079 0.000 1.275 351 W CB 0.025 29.533 29.460 0.080 0.000 1.250 351 W HN 0.493 nan 8.180 nan 0.000 0.421 352 N N 7.610 126.553 118.700 0.406 0.000 2.518 352 N HA 0.362 5.103 4.740 0.003 0.000 0.254 352 N C -2.581 173.026 175.510 0.162 0.000 0.979 352 N CA -1.271 51.895 53.050 0.194 0.000 0.930 352 N CB 2.036 40.614 38.487 0.152 0.000 1.152 352 N HN 0.029 nan 8.380 nan 0.000 0.505 353 P HA 0.205 nan 4.420 nan 0.000 0.288 353 P C -0.951 176.371 177.300 0.037 0.000 1.267 353 P CA -0.438 62.673 63.100 0.019 0.000 0.815 353 P CB 1.201 32.841 31.700 -0.100 0.000 0.989 354 T N -0.866 113.724 114.554 0.059 0.000 3.009 354 T HA 0.557 4.908 4.350 0.003 0.000 0.346 354 T C 0.724 175.452 174.700 0.046 0.000 1.092 354 T CA 0.053 62.181 62.100 0.046 0.000 1.080 354 T CB 0.298 69.198 68.868 0.054 0.000 1.037 354 T HN 0.728 nan 8.240 nan 0.000 0.487 355 G N 4.831 113.648 108.800 0.030 0.000 2.634 355 G HA2 -0.438 3.523 3.960 0.003 0.000 0.318 355 G HA3 -0.438 3.523 3.960 0.003 0.000 0.318 355 G C 0.857 175.786 174.900 0.048 0.000 1.207 355 G CA 0.848 45.965 45.100 0.028 0.000 0.987 355 G HN 1.218 nan 8.290 nan 0.000 0.547 356 K N 0.220 120.637 120.400 0.029 0.000 2.487 356 K HA 0.423 4.745 4.320 0.003 0.000 0.192 356 K C 0.966 177.677 176.600 0.185 0.000 1.027 356 K CA 1.284 57.591 56.287 0.032 0.000 1.054 356 K CB 0.285 32.663 32.500 -0.204 0.000 0.824 356 K HN 0.611 nan 8.250 nan 0.000 0.510 357 T N -0.382 114.265 114.554 0.156 0.000 2.804 357 T HA 0.514 4.865 4.350 0.003 0.000 0.290 357 T C -1.660 173.144 174.700 0.174 0.000 1.099 357 T CA -0.298 61.914 62.100 0.187 0.000 1.011 357 T CB 1.863 70.832 68.868 0.169 0.000 1.291 357 T HN 0.398 nan 8.240 nan 0.000 0.523 358 S N -0.098 115.729 115.700 0.211 0.000 2.611 358 S HA 0.703 5.174 4.470 0.003 0.000 0.268 358 S C -1.970 172.781 174.600 0.252 0.000 1.156 358 S CA -0.708 57.654 58.200 0.271 0.000 0.817 358 S CB 1.116 64.588 63.200 0.454 0.000 1.122 358 S HN 0.659 nan 8.310 nan 0.000 0.466 359 V N 1.558 121.633 119.914 0.268 0.000 2.588 359 V HA 0.542 4.664 4.120 0.003 0.000 0.304 359 V C -0.744 175.445 176.094 0.159 0.000 1.042 359 V CA -0.635 61.763 62.300 0.164 0.000 0.877 359 V CB 1.525 33.421 31.823 0.123 0.000 0.996 359 V HN 0.877 nan 8.190 nan 0.000 0.425 360 I N 4.599 125.142 120.570 -0.044 0.000 2.321 360 I HA 0.638 4.810 4.170 0.003 0.000 0.291 360 I C 0.123 176.237 176.117 -0.006 0.000 0.998 360 I CA 0.126 61.340 61.300 -0.143 0.000 1.227 360 I CB 1.667 39.366 38.000 -0.502 0.000 1.368 360 I HN 0.805 nan 8.210 nan 0.000 0.466 361 S N 4.102 119.884 115.700 0.137 0.000 2.579 361 S HA 0.567 5.039 4.470 0.003 0.000 0.272 361 S C -1.076 173.682 174.600 0.264 0.000 1.141 361 S CA -0.992 57.325 58.200 0.196 0.000 0.843 361 S CB 2.259 65.532 63.200 0.121 0.000 1.122 361 S HN 0.622 nan 8.310 nan 0.000 0.468 362 N N 0.183 119.006 118.700 0.204 0.000 2.549 362 N HA 0.544 5.285 4.740 0.003 0.000 0.281 362 N C 0.818 176.354 175.510 0.044 0.000 1.084 362 N CA 0.511 53.594 53.050 0.055 0.000 0.862 362 N CB 1.110 39.515 38.487 -0.137 0.000 1.333 362 N HN 1.280 nan 8.380 nan 0.000 0.523 363 G N 1.905 110.727 108.800 0.037 0.000 2.699 363 G HA2 -0.426 3.536 3.960 0.003 0.000 0.347 363 G HA3 -0.426 3.536 3.960 0.003 0.000 0.347 363 G C 1.051 175.977 174.900 0.043 0.000 1.225 363 G CA 0.845 45.964 45.100 0.031 0.000 0.973 363 G HN 0.630 nan 8.290 nan 0.000 0.551 364 S N 1.774 117.496 115.700 0.037 0.000 2.527 364 S HA 0.129 4.600 4.470 0.003 0.000 0.222 364 S C 1.002 175.632 174.600 0.051 0.000 0.985 364 S CA 1.327 59.550 58.200 0.039 0.000 0.921 364 S CB -0.331 62.886 63.200 0.028 0.000 0.772 364 S HN 0.779 nan 8.310 nan 0.000 0.529 365 E N 0.708 120.952 120.200 0.074 0.000 2.200 365 E HA 0.552 4.903 4.350 0.003 0.000 0.283 365 E C -0.981 175.680 176.600 0.102 0.000 1.015 365 E CA -0.470 55.986 56.400 0.093 0.000 0.819 365 E CB 1.350 31.131 29.700 0.136 0.000 1.081 365 E HN -0.014 nan 8.360 nan 0.000 0.397 366 S N 2.724 118.459 115.700 0.059 0.000 2.549 366 S HA 0.556 5.028 4.470 0.003 0.000 0.280 366 S C -1.554 173.043 174.600 -0.004 0.000 1.109 366 S CA -0.802 57.421 58.200 0.038 0.000 0.905 366 S CB 1.466 64.690 63.200 0.041 0.000 1.081 366 S HN 0.546 nan 8.310 nan 0.000 0.477 367 L N 3.036 124.237 121.223 -0.037 0.000 2.439 367 L HA 0.535 4.877 4.340 0.003 0.000 0.270 367 L C -1.281 175.565 176.870 -0.040 0.000 0.972 367 L CA -0.261 54.540 54.840 -0.065 0.000 0.836 367 L CB 1.416 43.390 42.059 -0.141 0.000 1.255 367 L HN 0.649 nan 8.230 nan 0.000 0.404 368 N N 3.514 122.209 118.700 -0.007 0.000 2.442 368 N HA 0.465 5.206 4.740 0.003 0.000 0.265 368 N C -1.154 174.373 175.510 0.028 0.000 1.138 368 N CA -0.258 52.810 53.050 0.030 0.000 0.956 368 N CB 1.309 39.817 38.487 0.035 0.000 1.067 368 N HN 0.319 nan 8.380 nan 0.000 0.474 369 V N 2.341 122.307 119.914 0.086 0.000 2.349 369 V HA 0.175 4.297 4.120 0.003 0.000 0.284 369 V C -0.363 175.844 176.094 0.188 0.000 1.014 369 V CA -0.953 61.419 62.300 0.120 0.000 0.826 369 V CB 1.098 33.001 31.823 0.133 0.000 1.009 369 V HN 0.608 nan 8.190 nan 0.000 0.431 370 D N 4.071 124.534 120.400 0.105 0.000 2.399 370 D HA 0.457 5.099 4.640 0.003 0.000 0.241 370 D C 0.035 176.450 176.300 0.191 0.000 1.133 370 D CA 0.418 54.476 54.000 0.098 0.000 0.890 370 D CB 1.338 42.021 40.800 -0.196 0.000 1.201 370 D HN 0.317 nan 8.370 nan 0.000 0.432 371 L N 0.512 121.912 121.223 0.295 0.000 2.211 371 L HA 0.429 4.771 4.340 0.003 0.000 0.259 371 L C 0.190 177.255 176.870 0.326 0.000 1.031 371 L CA -1.319 53.686 54.840 0.276 0.000 0.877 371 L CB 0.669 42.853 42.059 0.209 0.000 1.457 371 L HN 0.268 nan 8.230 nan 0.000 0.466 372 F N 1.600 121.598 119.950 0.080 0.000 2.623 372 F HA -0.058 4.470 4.527 0.003 0.000 0.383 372 F C 0.256 176.054 175.800 -0.003 0.000 1.077 372 F CA 0.167 58.186 58.000 0.031 0.000 1.268 372 F CB 0.244 39.220 39.000 -0.041 0.000 1.053 372 F HN 0.297 nan 8.300 nan 0.000 0.571 373 D N 4.153 124.254 120.400 -0.499 0.000 2.472 373 D HA 0.116 4.758 4.640 0.003 0.000 0.234 373 D C 0.740 176.703 176.300 -0.563 0.000 1.088 373 D CA -0.033 53.674 54.000 -0.488 0.000 0.882 373 D CB 0.928 41.300 40.800 -0.712 0.000 1.037 373 D HN 0.524 nan 8.370 nan 0.000 0.520 374 S N 1.370 116.905 115.700 -0.275 0.000 2.507 374 S HA -0.157 4.314 4.470 0.003 0.000 0.235 374 S C 1.632 176.165 174.600 -0.113 0.000 0.988 374 S CA 0.856 58.995 58.200 -0.103 0.000 0.944 374 S CB -0.299 63.020 63.200 0.199 0.000 0.762 374 S HN 0.326 nan 8.310 nan 0.000 0.526 375 S N 0.233 115.844 115.700 -0.147 0.000 2.603 375 S HA 0.132 4.604 4.470 0.003 0.000 0.220 375 S C 0.713 175.238 174.600 -0.124 0.000 0.967 375 S CA -0.490 57.642 58.200 -0.113 0.000 0.920 375 S CB -0.312 62.827 63.200 -0.101 0.000 0.773 375 S HN 0.472 nan 8.310 nan 0.000 0.529 376 Q N 1.972 121.668 119.800 -0.174 0.000 2.368 376 Q HA 0.174 4.516 4.340 0.003 0.000 0.237 376 Q C 0.206 176.143 176.000 -0.105 0.000 0.987 376 Q CA 0.190 55.909 55.803 -0.141 0.000 0.896 376 Q CB 0.780 29.412 28.738 -0.177 0.000 1.241 376 Q HN 0.541 nan 8.270 nan 0.000 0.485 377 D N -1.183 119.174 120.400 -0.072 0.000 2.323 377 D HA -0.054 4.587 4.640 0.003 0.000 0.209 377 D C 0.463 176.734 176.300 -0.047 0.000 0.973 377 D CA 0.425 54.395 54.000 -0.050 0.000 0.874 377 D CB 0.124 40.904 40.800 -0.033 0.000 0.930 377 D HN 0.473 nan 8.370 nan 0.000 0.521 378 T N -3.306 111.213 114.554 -0.058 0.000 2.907 378 T HA 0.318 4.670 4.350 0.003 0.000 0.292 378 T C 0.212 174.871 174.700 -0.068 0.000 1.043 378 T CA -0.855 61.214 62.100 -0.051 0.000 1.003 378 T CB 2.235 71.082 68.868 -0.036 0.000 1.084 378 T HN -0.363 nan 8.240 nan 0.000 0.483 379 D N 1.314 121.681 120.400 -0.054 0.000 2.149 379 D HA -0.075 4.567 4.640 0.003 0.000 0.198 379 D C 2.138 178.411 176.300 -0.045 0.000 0.990 379 D CA 1.274 55.250 54.000 -0.039 0.000 0.839 379 D CB -0.314 40.455 40.800 -0.051 0.000 0.948 379 D HN 0.546 nan 8.370 nan 0.000 0.460 380 S N 0.210 115.885 115.700 -0.042 0.000 2.353 380 S HA -0.133 4.339 4.470 0.003 0.000 0.222 380 S C 1.806 176.386 174.600 -0.033 0.000 1.035 380 S CA 1.006 59.194 58.200 -0.021 0.000 1.025 380 S CB -0.006 63.190 63.200 -0.006 0.000 0.902 380 S HN 0.292 nan 8.310 nan 0.000 0.440 381 K N 1.020 121.388 120.400 -0.053 0.000 2.155 381 K HA -0.002 4.319 4.320 0.003 0.000 0.203 381 K C 2.119 178.641 176.600 -0.131 0.000 1.052 381 K CA 0.779 57.031 56.287 -0.059 0.000 0.948 381 K CB -0.153 32.317 32.500 -0.050 0.000 0.728 381 K HN 0.299 nan 8.250 nan 0.000 0.448 382 K N 1.044 121.294 120.400 -0.249 0.000 2.032 382 K HA -0.159 4.163 4.320 0.003 0.000 0.209 382 K C 1.841 178.124 176.600 -0.528 0.000 1.048 382 K CA 1.871 57.804 56.287 -0.589 0.000 0.927 382 K CB -0.209 31.763 32.500 -0.880 0.000 0.712 382 K HN 0.174 nan 8.250 nan 0.000 0.441 383 N N 0.585 119.168 118.700 -0.194 0.000 2.216 383 N HA -0.135 4.607 4.740 0.003 0.000 0.183 383 N C 1.584 177.122 175.510 0.046 0.000 1.017 383 N CA 0.897 53.971 53.050 0.039 0.000 0.861 383 N CB -0.091 38.460 38.487 0.107 0.000 0.986 383 N HN 0.138 nan 8.380 nan 0.000 0.428 384 N N 0.205 118.918 118.700 0.022 0.000 2.453 384 N HA -0.161 4.581 4.740 0.003 0.000 0.183 384 N C 1.426 176.972 175.510 0.060 0.000 1.041 384 N CA 0.763 53.839 53.050 0.044 0.000 0.900 384 N CB -0.044 38.465 38.487 0.035 0.000 0.961 384 N HN 0.333 nan 8.380 nan 0.000 0.443 385 H N -1.052 117.995 119.070 -0.038 0.000 2.456 385 H HA 0.125 4.683 4.556 0.003 0.000 0.296 385 H C 0.734 176.079 175.328 0.027 0.000 1.079 385 H CA 1.082 57.116 56.048 -0.023 0.000 1.322 385 H CB -0.472 29.244 29.762 -0.076 0.000 1.388 385 H HN 0.178 nan 8.280 nan 0.000 0.538 386 G N 0.815 109.682 108.800 0.111 0.000 2.442 386 G HA2 0.303 4.264 3.960 0.003 0.000 0.249 386 G HA3 0.303 4.264 3.960 0.003 0.000 0.249 386 G C -0.705 174.249 174.900 0.089 0.000 1.263 386 G CA -0.621 44.552 45.100 0.121 0.000 0.846 386 G HN 0.184 nan 8.290 nan 0.000 0.555 387 K N 1.177 121.643 120.400 0.109 0.000 2.318 387 K HA 0.474 4.795 4.320 0.003 0.000 0.249 387 K C -0.177 176.528 176.600 0.176 0.000 0.942 387 K CA -0.724 55.629 56.287 0.110 0.000 0.808 387 K CB 2.111 34.641 32.500 0.050 0.000 1.189 387 K HN 0.408 nan 8.250 nan 0.000 0.428 388 S N 0.426 116.245 115.700 0.199 0.000 2.603 388 S HA 0.452 4.924 4.470 0.003 0.000 0.268 388 S C -0.155 174.536 174.600 0.151 0.000 1.317 388 S CA -0.682 57.680 58.200 0.270 0.000 1.012 388 S CB 0.836 64.298 63.200 0.437 0.000 0.926 388 S HN 0.292 nan 8.310 nan 0.000 0.539 389 V N 1.602 121.593 119.914 0.128 0.000 2.789 389 V HA 0.469 4.590 4.120 0.003 0.000 0.311 389 V C -0.276 175.782 176.094 -0.060 0.000 1.073 389 V CA -0.783 61.480 62.300 -0.062 0.000 0.921 389 V CB 2.230 33.894 31.823 -0.265 0.000 1.009 389 V HN 0.861 nan 8.190 nan 0.000 0.426 390 T N 5.471 119.950 114.554 -0.126 0.000 2.771 390 T HA 0.739 5.090 4.350 0.003 0.000 0.281 390 T C -0.744 173.803 174.700 -0.254 0.000 0.982 390 T CA -0.272 61.748 62.100 -0.133 0.000 0.978 390 T CB 0.975 69.786 68.868 -0.095 0.000 0.930 390 T HN 0.305 nan 8.240 nan 0.000 0.447 391 L N 3.965 124.983 121.223 -0.343 0.000 2.325 391 L HA 0.566 4.907 4.340 0.003 0.000 0.281 391 L C 0.436 177.280 176.870 -0.044 0.000 1.004 391 L CA -0.492 54.123 54.840 -0.374 0.000 0.823 391 L CB 1.410 42.934 42.059 -0.892 0.000 1.236 391 L HN 0.408 nan 8.230 nan 0.000 0.415 392 R N 0.944 121.514 120.500 0.118 0.000 2.782 392 R HA 0.860 5.202 4.340 0.003 0.000 0.258 392 R C 0.608 177.123 176.300 0.358 0.000 1.055 392 R CA -0.282 55.950 56.100 0.221 0.000 1.065 392 R CB 1.534 31.903 30.300 0.114 0.000 1.172 392 R HN 0.747 nan 8.270 nan 0.000 0.510 393 G N 0.679 109.628 108.800 0.249 0.000 2.536 393 G HA2 -0.320 3.642 3.960 0.003 0.000 0.277 393 G HA3 -0.320 3.642 3.960 0.003 0.000 0.277 393 G C -0.626 174.322 174.900 0.079 0.000 1.155 393 G CA 0.116 45.311 45.100 0.158 0.000 0.960 393 G HN 1.012 nan 8.290 nan 0.000 0.544 394 S N -1.096 114.543 115.700 -0.102 0.000 2.547 394 S HA 0.953 5.425 4.470 0.003 0.000 0.270 394 S C 0.024 174.239 174.600 -0.642 0.000 1.150 394 S CA 0.647 58.551 58.200 -0.493 0.000 0.850 394 S CB 1.598 64.655 63.200 -0.239 0.000 1.118 394 S HN 2.878 nan 8.310 nan 0.000 0.461 395 G N 0.640 108.871 108.800 -0.948 0.000 2.455 395 G HA2 0.502 4.464 3.960 0.003 0.000 0.223 395 G HA3 0.502 4.464 3.960 0.003 0.000 0.223 395 G C -1.320 173.479 174.900 -0.169 0.000 1.226 395 G CA 0.009 44.881 45.100 -0.380 0.000 0.948 395 G HN 1.157 nan 8.290 nan 0.000 0.478 396 T N 0.018 114.664 114.554 0.154 0.000 2.906 396 T HA 0.642 4.994 4.350 0.003 0.000 0.295 396 T C -1.572 173.377 174.700 0.416 0.000 1.061 396 T CA -0.328 61.927 62.100 0.259 0.000 1.000 396 T CB 2.058 70.988 68.868 0.103 0.000 1.103 396 T HN 0.981 nan 8.240 nan 0.000 0.486 397 L N 2.313 123.754 121.223 0.363 0.000 2.372 397 L HA 0.625 4.967 4.340 0.003 0.000 0.274 397 L C -0.710 176.292 176.870 0.221 0.000 0.988 397 L CA 0.010 55.045 54.840 0.325 0.000 0.833 397 L CB 1.611 43.852 42.059 0.304 0.000 1.236 397 L HN 0.660 nan 8.230 nan 0.000 0.410 398 T N 6.030 120.711 114.554 0.213 0.000 2.758 398 T HA 0.525 4.877 4.350 0.003 0.000 0.285 398 T C -0.434 174.379 174.700 0.189 0.000 0.981 398 T CA -0.304 61.883 62.100 0.145 0.000 0.965 398 T CB 0.762 69.691 68.868 0.101 0.000 0.927 398 T HN 0.259 nan 8.240 nan 0.000 0.448 399 L N 4.568 125.867 121.223 0.126 0.000 2.278 399 L HA 0.327 4.669 4.340 0.003 0.000 0.287 399 L C 1.445 178.332 176.870 0.028 0.000 1.072 399 L CA -0.021 54.873 54.840 0.089 0.000 0.819 399 L CB 0.273 42.323 42.059 -0.014 0.000 1.176 399 L HN 0.522 nan 8.230 nan 0.000 0.435 400 N N 1.772 120.499 118.700 0.044 0.000 2.467 400 N HA 0.023 4.765 4.740 0.003 0.000 0.184 400 N C 0.227 175.726 175.510 -0.019 0.000 1.106 400 N CA 0.327 53.389 53.050 0.020 0.000 0.892 400 N CB 0.110 38.627 38.487 0.050 0.000 0.969 400 N HN 0.565 nan 8.380 nan 0.000 0.454 401 N N -0.099 118.568 118.700 -0.054 0.000 3.106 401 N HA 0.125 4.866 4.740 0.003 0.000 0.253 401 N C -1.509 173.930 175.510 -0.118 0.000 1.506 401 N CA -0.554 52.451 53.050 -0.074 0.000 0.876 401 N CB 0.647 39.098 38.487 -0.061 0.000 1.452 401 N HN -0.205 nan 8.380 nan 0.000 0.542 402 N N 0.660 119.294 118.700 -0.111 0.000 2.454 402 N HA 0.141 4.883 4.740 0.003 0.000 0.254 402 N C -0.405 174.986 175.510 -0.198 0.000 1.228 402 N CA 0.339 53.311 53.050 -0.131 0.000 0.900 402 N CB 0.488 38.909 38.487 -0.109 0.000 1.089 402 N HN 0.379 nan 8.380 nan 0.000 0.449 403 I N 1.289 121.714 120.570 -0.242 0.000 2.406 403 I HA 0.136 4.307 4.170 0.003 0.000 0.290 403 I C -0.038 175.874 176.117 -0.342 0.000 0.999 403 I CA -0.553 60.532 61.300 -0.359 0.000 1.124 403 I CB 1.511 39.157 38.000 -0.590 0.000 1.289 403 I HN 0.323 nan 8.210 nan 0.000 0.441 404 D N 5.741 125.974 120.400 -0.278 0.000 2.460 404 D HA 0.164 4.806 4.640 0.003 0.000 0.232 404 D C 0.494 176.707 176.300 -0.145 0.000 1.079 404 D CA -0.167 53.652 54.000 -0.302 0.000 0.864 404 D CB 1.168 41.768 40.800 -0.333 0.000 1.048 404 D HN 0.498 nan 8.370 nan 0.000 0.523 405 Q N 2.492 122.162 119.800 -0.218 0.000 2.444 405 Q HA 0.157 4.498 4.340 0.003 0.000 0.206 405 Q C 1.168 177.220 176.000 0.087 0.000 0.948 405 Q CA 0.471 56.290 55.803 0.026 0.000 0.946 405 Q CB 0.095 28.924 28.738 0.151 0.000 1.027 405 Q HN 0.826 nan 8.270 nan 0.000 0.513 406 G N 0.627 109.475 108.800 0.080 0.000 2.596 406 G HA2 -0.441 3.520 3.960 0.003 0.000 0.304 406 G HA3 -0.441 3.520 3.960 0.003 0.000 0.304 406 G C 0.570 175.514 174.900 0.073 0.000 1.189 406 G CA 0.345 45.563 45.100 0.197 0.000 0.986 406 G HN 0.570 nan 8.290 nan 0.000 0.548 407 A N 1.165 124.042 122.820 0.094 0.000 2.275 407 A HA 0.614 4.935 4.320 0.003 0.000 0.212 407 A C 1.536 179.181 177.584 0.101 0.000 1.201 407 A CA 1.528 53.604 52.037 0.065 0.000 0.843 407 A CB -0.575 18.460 19.000 0.059 0.000 0.873 407 A HN 2.111 nan 8.150 nan 0.000 0.492 408 G N -0.492 108.390 108.800 0.137 0.000 2.442 408 G HA2 0.472 4.433 3.960 0.003 0.000 0.249 408 G HA3 0.472 4.433 3.960 0.003 0.000 0.249 408 G C 0.259 175.303 174.900 0.240 0.000 1.263 408 G CA 0.339 45.568 45.100 0.214 0.000 0.846 408 G HN 0.592 nan 8.290 nan 0.000 0.555 409 G N -0.350 108.634 108.800 0.306 0.000 3.140 409 G HA2 0.619 4.581 3.960 0.003 0.000 0.271 409 G HA3 0.619 4.581 3.960 0.003 0.000 0.271 409 G C -1.115 173.927 174.900 0.236 0.000 1.370 409 G CA -0.987 44.258 45.100 0.242 0.000 1.014 409 G HN 0.649 nan 8.290 nan 0.000 0.541 410 L N 0.163 121.389 121.223 0.005 0.000 2.349 410 L HA 0.462 4.804 4.340 0.003 0.000 0.278 410 L C -1.326 175.300 176.870 -0.407 0.000 0.996 410 L CA -0.466 54.249 54.840 -0.209 0.000 0.825 410 L CB 1.866 43.759 42.059 -0.276 0.000 1.243 410 L HN 0.318 nan 8.230 nan 0.000 0.412 411 F N 3.183 122.992 119.950 -0.235 0.000 2.308 411 F HA 0.393 4.922 4.527 0.003 0.000 0.370 411 F C -0.172 175.440 175.800 -0.313 0.000 1.100 411 F CA -0.369 57.546 58.000 -0.141 0.000 1.108 411 F CB 0.595 39.550 39.000 -0.075 0.000 1.293 411 F HN 0.204 nan 8.300 nan 0.000 0.478 412 F N 2.860 122.853 119.950 0.071 0.000 2.421 412 F HA 0.283 4.812 4.527 0.003 0.000 0.358 412 F C 0.990 176.854 175.800 0.107 0.000 1.115 412 F CA -0.322 57.705 58.000 0.046 0.000 1.160 412 F CB 0.790 39.818 39.000 0.047 0.000 1.123 412 F HN 0.360 nan 8.300 nan 0.000 0.508 413 E N 2.950 123.301 120.200 0.252 0.000 2.651 413 E HA 0.359 4.710 4.350 0.003 0.000 0.213 413 E C 0.436 177.182 176.600 0.243 0.000 1.028 413 E CA -0.229 56.292 56.400 0.202 0.000 1.183 413 E CB 0.926 30.701 29.700 0.125 0.000 1.188 413 E HN 0.807 nan 8.360 nan 0.000 0.444 414 G N 0.166 109.178 108.800 0.354 0.000 2.506 414 G HA2 0.183 4.145 3.960 0.003 0.000 0.292 414 G HA3 0.183 4.145 3.960 0.003 0.000 0.292 414 G C -1.597 173.531 174.900 0.380 0.000 1.425 414 G CA -0.789 44.522 45.100 0.352 0.000 0.788 414 G HN -0.127 nan 8.290 nan 0.000 0.490 415 D N 0.481 120.975 120.400 0.157 0.000 2.316 415 D HA 0.492 5.134 4.640 0.003 0.000 0.245 415 D C -1.020 175.227 176.300 -0.088 0.000 1.171 415 D CA 0.703 54.737 54.000 0.056 0.000 0.856 415 D CB 1.220 42.008 40.800 -0.019 0.000 1.090 415 D HN 0.202 nan 8.370 nan 0.000 0.476 416 Y N 0.346 120.648 120.300 0.003 0.000 2.545 416 Y HA 0.212 4.763 4.550 0.003 0.000 0.348 416 Y C 0.301 176.166 175.900 -0.059 0.000 1.002 416 Y CA -0.995 57.114 58.100 0.016 0.000 1.039 416 Y CB 2.066 40.586 38.460 0.099 0.000 1.271 416 Y HN 0.204 nan 8.280 nan 0.000 0.467 417 E N 1.828 122.104 120.200 0.126 0.000 2.166 417 E HA 0.651 5.003 4.350 0.003 0.000 0.275 417 E C -1.861 174.795 176.600 0.093 0.000 0.941 417 E CA -0.662 55.778 56.400 0.066 0.000 0.784 417 E CB 1.315 31.033 29.700 0.030 0.000 1.115 417 E HN 0.437 nan 8.360 nan 0.000 0.399 418 V N 5.691 125.604 119.914 -0.001 0.000 2.409 418 V HA 0.391 4.513 4.120 0.003 0.000 0.291 418 V C -0.338 175.636 176.094 -0.200 0.000 1.020 418 V CA -0.556 61.693 62.300 -0.085 0.000 0.848 418 V CB 1.133 32.818 31.823 -0.231 0.000 0.990 418 V HN 0.710 nan 8.190 nan 0.000 0.430 419 K N 3.144 123.471 120.400 -0.122 0.000 2.509 419 K HA 0.882 5.204 4.320 0.003 0.000 0.266 419 K C -0.234 176.303 176.600 -0.105 0.000 0.987 419 K CA -0.791 55.415 56.287 -0.134 0.000 0.868 419 K CB 2.561 35.018 32.500 -0.072 0.000 1.421 419 K HN 0.645 nan 8.250 nan 0.000 0.444 420 G N -0.526 108.201 108.800 -0.122 0.000 2.509 420 G HA2 0.337 4.299 3.960 0.003 0.000 0.328 420 G HA3 0.337 4.299 3.960 0.003 0.000 0.328 420 G C 0.650 175.509 174.900 -0.068 0.000 1.194 420 G CA -0.522 44.521 45.100 -0.094 0.000 0.967 420 G HN 0.700 nan 8.290 nan 0.000 0.488 421 T N -2.438 112.086 114.554 -0.050 0.000 3.035 421 T HA 0.111 4.463 4.350 0.003 0.000 0.268 421 T C 1.260 175.927 174.700 -0.056 0.000 1.109 421 T CA 0.996 63.072 62.100 -0.039 0.000 1.119 421 T CB -0.215 68.639 68.868 -0.023 0.000 0.900 421 T HN 0.899 nan 8.240 nan 0.000 0.503 422 S N -0.279 115.372 115.700 -0.082 0.000 2.634 422 S HA 0.442 4.914 4.470 0.003 0.000 0.296 422 S C -0.042 174.467 174.600 -0.152 0.000 1.104 422 S CA -0.780 57.361 58.200 -0.098 0.000 0.920 422 S CB 1.997 65.144 63.200 -0.088 0.000 1.111 422 S HN -0.063 nan 8.310 nan 0.000 0.493 423 D N 1.578 121.882 120.400 -0.160 0.000 2.218 423 D HA -0.049 4.593 4.640 0.003 0.000 0.204 423 D C 1.775 177.778 176.300 -0.496 0.000 0.976 423 D CA 1.822 55.680 54.000 -0.238 0.000 0.853 423 D CB -0.231 40.480 40.800 -0.148 0.000 0.939 423 D HN 0.663 nan 8.370 nan 0.000 0.481 424 S N -0.818 114.653 115.700 -0.383 0.000 2.556 424 S HA 0.045 4.517 4.470 0.003 0.000 0.216 424 S C 0.797 175.228 174.600 -0.282 0.000 0.970 424 S CA -0.386 57.556 58.200 -0.430 0.000 0.912 424 S CB -0.129 62.976 63.200 -0.160 0.000 0.790 424 S HN -0.116 nan 8.310 nan 0.000 0.504 425 T N 4.176 118.589 114.554 -0.236 0.000 2.933 425 T HA 0.292 4.643 4.350 0.003 0.000 0.306 425 T C 0.430 175.072 174.700 -0.098 0.000 1.045 425 T CA 0.670 62.684 62.100 -0.143 0.000 1.143 425 T CB 0.518 69.308 68.868 -0.129 0.000 1.003 425 T HN 0.651 nan 8.240 nan 0.000 0.540 426 T N 0.601 115.135 114.554 -0.034 0.000 2.912 426 T HA 0.617 4.969 4.350 0.003 0.000 0.288 426 T C -1.195 173.559 174.700 0.090 0.000 1.030 426 T CA -1.088 61.045 62.100 0.055 0.000 1.020 426 T CB 1.454 70.348 68.868 0.043 0.000 1.056 426 T HN 0.740 nan 8.240 nan 0.000 0.480 427 W N 1.898 123.192 121.300 -0.011 0.000 2.785 427 W HA 0.696 5.358 4.660 0.003 0.000 0.333 427 W C -1.065 175.505 176.519 0.085 0.000 1.062 427 W CA -0.856 56.494 57.345 0.008 0.000 1.233 427 W CB 1.481 30.993 29.460 0.087 0.000 1.413 427 W HN 0.908 nan 8.180 nan 0.000 0.489 428 K N 4.495 124.330 120.400 -0.941 0.000 2.427 428 K HA 0.780 5.101 4.320 0.003 0.000 0.252 428 K C -0.475 175.170 176.600 -1.591 0.000 0.931 428 K CA -0.611 55.083 56.287 -0.987 0.000 0.793 428 K CB 1.727 33.918 32.500 -0.515 0.000 1.211 428 K HN 0.804 nan 8.250 nan 0.000 0.426 429 G N 0.700 108.622 108.800 -1.464 0.000 2.489 429 G HA2 0.425 4.387 3.960 0.003 0.000 0.305 429 G HA3 0.425 4.387 3.960 0.003 0.000 0.305 429 G C -0.175 174.491 174.900 -0.391 0.000 1.311 429 G CA -0.090 44.514 45.100 -0.828 0.000 0.813 429 G HN 0.542 nan 8.290 nan 0.000 0.480 430 A N -1.531 121.160 122.820 -0.215 0.000 1.969 430 A HA 0.562 4.884 4.320 0.003 0.000 0.218 430 A C 1.486 178.598 177.584 -0.786 0.000 1.169 430 A CA 2.462 54.281 52.037 -0.363 0.000 0.635 430 A CB -0.563 18.272 19.000 -0.275 0.000 0.810 430 A HN 2.481 nan 8.150 nan 0.000 0.445 431 G N -3.384 104.943 108.800 -0.788 0.000 2.324 431 G HA2 0.425 4.387 3.960 0.003 0.000 0.293 431 G HA3 0.425 4.387 3.960 0.003 0.000 0.293 431 G C -1.724 172.941 174.900 -0.391 0.000 1.297 431 G CA -0.024 44.626 45.100 -0.751 0.000 0.853 431 G HN 0.613 nan 8.290 nan 0.000 0.535 432 V N 0.567 120.384 119.914 -0.162 0.000 2.525 432 V HA 0.708 4.830 4.120 0.003 0.000 0.299 432 V C 0.057 176.185 176.094 0.057 0.000 1.034 432 V CA -0.521 61.708 62.300 -0.117 0.000 0.863 432 V CB 1.381 32.955 31.823 -0.414 0.000 0.999 432 V HN 1.028 nan 8.190 nan 0.000 0.423 433 S N 4.215 119.945 115.700 0.051 0.000 2.451 433 S HA 0.781 5.253 4.470 0.003 0.000 0.301 433 S C -0.828 173.860 174.600 0.147 0.000 1.116 433 S CA -0.431 57.791 58.200 0.036 0.000 1.093 433 S CB 1.426 64.551 63.200 -0.125 0.000 1.017 433 S HN 0.505 nan 8.310 nan 0.000 0.482 434 V N 4.430 124.413 119.914 0.115 0.000 2.444 434 V HA 0.688 4.810 4.120 0.003 0.000 0.294 434 V C 0.648 176.812 176.094 0.116 0.000 1.022 434 V CA -0.878 61.510 62.300 0.146 0.000 0.850 434 V CB 0.983 32.844 31.823 0.062 0.000 0.992 434 V HN 1.097 nan 8.190 nan 0.000 0.426 435 A N 3.055 125.961 122.820 0.143 0.000 2.386 435 A HA 0.321 4.643 4.320 0.003 0.000 0.246 435 A C 0.296 177.926 177.584 0.076 0.000 1.089 435 A CA -0.091 52.010 52.037 0.107 0.000 0.790 435 A CB 0.069 19.138 19.000 0.116 0.000 1.042 435 A HN 0.892 nan 8.150 nan 0.000 0.497 436 D N -0.070 120.363 120.400 0.055 0.000 2.533 436 D HA 0.340 4.981 4.640 0.003 0.000 0.236 436 D C 1.388 177.713 176.300 0.042 0.000 1.137 436 D CA 2.024 56.048 54.000 0.040 0.000 0.867 436 D CB 0.179 40.996 40.800 0.029 0.000 1.170 436 D HN 1.294 nan 8.370 nan 0.000 0.474 437 G N 2.800 111.620 108.800 0.034 0.000 2.184 437 G HA2 -0.230 3.732 3.960 0.003 0.000 0.264 437 G HA3 -0.230 3.732 3.960 0.003 0.000 0.264 437 G C 0.216 175.140 174.900 0.039 0.000 0.975 437 G CA 0.392 45.510 45.100 0.031 0.000 0.642 437 G HN 0.523 nan 8.290 nan 0.000 0.536 438 K N 0.312 120.743 120.400 0.053 0.000 2.166 438 K HA 0.780 5.102 4.320 0.003 0.000 0.245 438 K C -0.317 176.312 176.600 0.048 0.000 0.967 438 K CA -0.324 56.003 56.287 0.066 0.000 0.863 438 K CB 1.657 34.224 32.500 0.111 0.000 1.107 438 K HN 0.100 nan 8.250 nan 0.000 0.436 439 T N 0.418 114.996 114.554 0.040 0.000 2.881 439 T HA 0.385 4.736 4.350 0.003 0.000 0.290 439 T C -0.803 173.893 174.700 -0.006 0.000 1.000 439 T CA -0.622 61.486 62.100 0.014 0.000 0.978 439 T CB 1.611 70.486 68.868 0.011 0.000 0.997 439 T HN 0.132 nan 8.240 nan 0.000 0.443 440 V N 3.366 123.247 119.914 -0.055 0.000 2.409 440 V HA 0.412 4.534 4.120 0.003 0.000 0.291 440 V C 0.277 176.353 176.094 -0.030 0.000 1.020 440 V CA -0.700 61.522 62.300 -0.131 0.000 0.848 440 V CB 1.784 33.357 31.823 -0.416 0.000 0.990 440 V HN 0.977 nan 8.190 nan 0.000 0.430 441 T N 5.695 120.253 114.554 0.007 0.000 2.749 441 T HA 0.219 4.571 4.350 0.003 0.000 0.295 441 T C -0.570 174.202 174.700 0.121 0.000 0.936 441 T CA -0.052 62.085 62.100 0.062 0.000 1.060 441 T CB 0.335 69.222 68.868 0.032 0.000 0.904 441 T HN 0.698 nan 8.240 nan 0.000 0.500 442 W N 4.722 125.984 121.300 -0.063 0.000 2.362 442 W HA 0.353 5.015 4.660 0.003 0.000 0.316 442 W C -0.295 176.219 176.519 -0.009 0.000 1.024 442 W CA -0.871 56.444 57.345 -0.051 0.000 1.270 442 W CB 0.824 30.259 29.460 -0.041 0.000 1.273 442 W HN 0.684 nan 8.180 nan 0.000 0.424 443 K N 4.165 124.408 120.400 -0.261 0.000 2.438 443 K HA 0.084 4.406 4.320 0.003 0.000 0.205 443 K C 0.392 176.844 176.600 -0.246 0.000 1.033 443 K CA -0.045 56.140 56.287 -0.171 0.000 1.089 443 K CB 1.001 33.436 32.500 -0.108 0.000 0.857 443 K HN 0.268 nan 8.250 nan 0.000 0.522 444 V N -2.092 117.513 119.914 -0.515 0.000 2.966 444 V HA 0.377 4.499 4.120 0.003 0.000 0.317 444 V C 0.047 176.160 176.094 0.032 0.000 1.070 444 V CA -0.924 61.187 62.300 -0.316 0.000 1.008 444 V CB 1.173 32.742 31.823 -0.423 0.000 1.070 444 V HN 0.112 nan 8.190 nan 0.000 0.457 445 H N 1.551 120.593 119.070 -0.046 0.000 2.509 445 H HA 0.466 5.024 4.556 0.003 0.000 0.359 445 H C -0.230 175.206 175.328 0.180 0.000 1.253 445 H CA -0.059 56.017 56.048 0.047 0.000 1.373 445 H CB 1.360 31.121 29.762 -0.002 0.000 1.555 445 H HN 0.958 nan 8.280 nan 0.000 0.586 446 N N 0.086 118.978 118.700 0.320 0.000 2.265 446 N HA 0.338 5.080 4.740 0.003 0.000 0.300 446 N C -3.208 172.393 175.510 0.153 0.000 1.148 446 N CA -1.905 51.316 53.050 0.284 0.000 0.772 446 N CB 2.335 41.065 38.487 0.405 0.000 1.434 446 N HN 0.148 nan 8.380 nan 0.000 0.481 447 P HA -0.010 nan 4.420 nan 0.000 0.269 447 P C -0.650 176.668 177.300 0.030 0.000 1.215 447 P CA -0.199 62.914 63.100 0.022 0.000 0.780 447 P CB 0.503 32.175 31.700 -0.046 0.000 0.898 448 K N 1.863 122.274 120.400 0.019 0.000 2.524 448 K HA -0.018 4.304 4.320 0.003 0.000 0.279 448 K C 0.339 176.946 176.600 0.011 0.000 0.993 448 K CA 1.031 57.330 56.287 0.020 0.000 1.030 448 K CB -0.359 32.147 32.500 0.009 0.000 0.891 448 K HN 0.546 nan 8.250 nan 0.000 0.488 449 S N 0.653 116.367 115.700 0.024 0.000 2.524 449 S HA -0.244 4.228 4.470 0.003 0.000 0.254 449 S C -0.156 174.450 174.600 0.010 0.000 1.258 449 S CA 1.504 59.714 58.200 0.016 0.000 1.448 449 S CB -1.326 61.875 63.200 0.001 0.000 1.806 449 S HN 1.005 nan 8.310 nan 0.000 0.630 450 D N 1.637 122.043 120.400 0.011 0.000 2.351 450 D HA 0.371 5.013 4.640 0.003 0.000 0.251 450 D C 0.189 176.504 176.300 0.025 0.000 1.137 450 D CA 0.020 54.019 54.000 -0.002 0.000 0.879 450 D CB 0.528 41.318 40.800 -0.016 0.000 1.181 450 D HN 0.267 nan 8.370 nan 0.000 0.448 451 R N 3.761 124.259 120.500 -0.003 0.000 2.215 451 R HA 0.292 4.633 4.340 0.003 0.000 0.337 451 R C -0.447 175.841 176.300 -0.019 0.000 1.010 451 R CA -0.840 55.252 56.100 -0.014 0.000 0.871 451 R CB 0.944 31.229 30.300 -0.025 0.000 1.134 451 R HN 0.500 nan 8.270 nan 0.000 0.477 452 L N 2.873 124.091 121.223 -0.008 0.000 2.433 452 L HA 0.234 4.576 4.340 0.003 0.000 0.275 452 L C -0.163 176.662 176.870 -0.076 0.000 1.128 452 L CA -0.034 54.819 54.840 0.022 0.000 0.875 452 L CB 0.501 42.608 42.059 0.080 0.000 1.171 452 L HN 0.691 nan 8.230 nan 0.000 0.463 453 A N 5.520 128.310 122.820 -0.051 0.000 2.269 453 A HA 0.411 4.733 4.320 0.003 0.000 0.302 453 A C -0.481 177.089 177.584 -0.024 0.000 1.266 453 A CA -0.644 51.376 52.037 -0.028 0.000 0.894 453 A CB 0.640 19.660 19.000 0.033 0.000 1.147 453 A HN 0.647 nan 8.150 nan 0.000 0.537 454 K N 3.513 123.885 120.400 -0.046 0.000 2.240 454 K HA 0.658 4.979 4.320 0.003 0.000 0.271 454 K C -0.574 176.041 176.600 0.025 0.000 1.018 454 K CA -0.331 55.925 56.287 -0.052 0.000 0.874 454 K CB 0.283 32.703 32.500 -0.133 0.000 1.098 454 K HN 0.733 nan 8.250 nan 0.000 0.458 455 I N -0.477 120.132 120.570 0.065 0.000 3.457 455 I HA 0.915 5.087 4.170 0.003 0.000 0.307 455 I C 0.021 176.149 176.117 0.019 0.000 1.138 455 I CA -0.903 60.420 61.300 0.038 0.000 0.974 455 I CB 1.712 39.725 38.000 0.020 0.000 1.324 455 I HN 0.747 nan 8.210 nan 0.000 0.485 456 G N 1.417 110.223 108.800 0.010 0.000 2.705 456 G HA2 -0.166 3.796 3.960 0.003 0.000 0.686 456 G HA3 -0.166 3.796 3.960 0.003 0.000 0.686 456 G C -0.259 174.653 174.900 0.021 0.000 1.285 456 G CA -0.054 45.062 45.100 0.026 0.000 0.800 456 G HN 0.911 nan 8.290 nan 0.000 0.611 457 K N 0.571 120.986 120.400 0.025 0.000 2.432 457 K HA 0.126 4.447 4.320 0.003 0.000 0.196 457 K C 1.949 178.562 176.600 0.021 0.000 1.038 457 K CA 0.692 56.990 56.287 0.019 0.000 0.986 457 K CB 0.107 32.618 32.500 0.017 0.000 0.782 457 K HN 0.771 nan 8.250 nan 0.000 0.485 458 G N 0.328 109.146 108.800 0.030 0.000 2.535 458 G HA2 0.123 4.084 3.960 0.003 0.000 0.282 458 G HA3 0.123 4.084 3.960 0.003 0.000 0.282 458 G C -0.546 174.362 174.900 0.014 0.000 1.350 458 G CA -0.395 44.723 45.100 0.030 0.000 1.039 458 G HN -0.028 nan 8.290 nan 0.000 0.509 459 T N 0.099 114.659 114.554 0.010 0.000 2.797 459 T HA 0.433 4.785 4.350 0.003 0.000 0.279 459 T C -0.794 173.894 174.700 -0.019 0.000 0.991 459 T CA -0.191 61.909 62.100 0.000 0.000 0.979 459 T CB 1.571 70.445 68.868 0.010 0.000 0.943 459 T HN 0.332 nan 8.240 nan 0.000 0.444 460 L N 4.774 125.977 121.223 -0.034 0.000 2.287 460 L HA 0.607 4.949 4.340 0.003 0.000 0.287 460 L C -1.019 175.855 176.870 0.006 0.000 1.022 460 L CA -0.446 54.363 54.840 -0.051 0.000 0.814 460 L CB 0.541 42.520 42.059 -0.134 0.000 1.217 460 L HN 0.625 nan 8.230 nan 0.000 0.420 461 I N 6.163 126.759 120.570 0.042 0.000 2.307 461 I HA 0.269 4.441 4.170 0.003 0.000 0.289 461 I C -0.518 175.676 176.117 0.129 0.000 1.021 461 I CA -0.793 60.548 61.300 0.069 0.000 1.224 461 I CB 1.469 39.499 38.000 0.050 0.000 1.376 461 I HN 0.239 nan 8.210 nan 0.000 0.470 462 V N 6.706 126.706 119.914 0.143 0.000 2.408 462 V HA 0.164 4.286 4.120 0.003 0.000 0.267 462 V C 0.626 176.784 176.094 0.106 0.000 1.047 462 V CA 0.054 62.470 62.300 0.194 0.000 0.937 462 V CB 0.950 32.905 31.823 0.220 0.000 0.999 462 V HN 0.795 nan 8.190 nan 0.000 0.472 463 E N 3.384 123.643 120.200 0.098 0.000 3.918 463 E HA 0.297 4.649 4.350 0.003 0.000 0.183 463 E C 0.596 177.211 176.600 0.025 0.000 1.021 463 E CA -0.189 56.238 56.400 0.045 0.000 1.431 463 E CB 0.673 30.397 29.700 0.040 0.000 1.140 463 E HN 0.830 nan 8.360 nan 0.000 0.435 464 G N 0.792 109.610 108.800 0.029 0.000 2.588 464 G HA2 0.250 4.212 3.960 0.003 0.000 0.278 464 G HA3 0.250 4.212 3.960 0.003 0.000 0.278 464 G C -0.241 174.684 174.900 0.042 0.000 1.307 464 G CA -0.312 44.811 45.100 0.038 0.000 1.016 464 G HN 0.042 nan 8.290 nan 0.000 0.503 465 K N -0.414 120.033 120.400 0.079 0.000 2.316 465 K HA 0.582 4.903 4.320 0.003 0.000 0.251 465 K C 0.352 177.029 176.600 0.129 0.000 0.934 465 K CA 0.187 56.508 56.287 0.058 0.000 0.802 465 K CB 1.869 34.375 32.500 0.011 0.000 1.171 465 K HN 1.150 nan 8.250 nan 0.000 0.426 466 G N 1.847 110.684 108.800 0.062 0.000 2.632 466 G HA2 -0.246 3.716 3.960 0.003 0.000 0.224 466 G HA3 -0.246 3.716 3.960 0.003 0.000 0.224 466 G C -1.043 173.860 174.900 0.004 0.000 1.341 466 G CA -0.670 44.465 45.100 0.059 0.000 0.880 466 G HN 0.620 nan 8.290 nan 0.000 0.566 467 E N 0.842 121.036 120.200 -0.010 0.000 2.089 467 E HA 0.351 4.702 4.350 0.003 0.000 0.284 467 E C 0.092 176.514 176.600 -0.298 0.000 1.023 467 E CA -0.541 55.790 56.400 -0.115 0.000 0.819 467 E CB 0.874 30.540 29.700 -0.057 0.000 1.076 467 E HN 0.479 nan 8.360 nan 0.000 0.396 468 N N 2.876 121.240 118.700 -0.560 0.000 2.458 468 N HA 0.003 4.745 4.740 0.003 0.000 0.270 468 N C 0.208 175.538 175.510 -0.302 0.000 1.102 468 N CA 0.094 52.677 53.050 -0.779 0.000 0.967 468 N CB 0.764 38.759 38.487 -0.820 0.000 1.078 468 N HN 0.288 nan 8.380 nan 0.000 0.471 469 K N 1.706 122.012 120.400 -0.157 0.000 2.365 469 K HA 0.122 4.444 4.320 0.003 0.000 0.197 469 K C 1.071 177.691 176.600 0.032 0.000 1.042 469 K CA 0.117 56.383 56.287 -0.036 0.000 0.987 469 K CB 0.143 32.641 32.500 -0.003 0.000 0.779 469 K HN 0.600 nan 8.250 nan 0.000 0.484 470 G N 1.131 109.972 108.800 0.069 0.000 2.634 470 G HA2 0.166 4.127 3.960 0.003 0.000 0.255 470 G HA3 0.166 4.127 3.960 0.003 0.000 0.255 470 G C -0.114 174.982 174.900 0.328 0.000 1.205 470 G CA -0.435 44.775 45.100 0.184 0.000 0.884 470 G HN 0.218 nan 8.290 nan 0.000 0.549 471 S N -1.333 114.521 115.700 0.256 0.000 2.759 471 S HA 0.782 5.253 4.470 0.003 0.000 0.310 471 S C -0.984 173.534 174.600 -0.137 0.000 1.123 471 S CA -0.788 57.497 58.200 0.142 0.000 0.959 471 S CB 1.883 65.123 63.200 0.066 0.000 1.172 471 S HN 1.062 nan 8.310 nan 0.000 0.539 472 L N 0.095 121.056 121.223 -0.436 0.000 2.455 472 L HA 0.668 5.009 4.340 0.003 0.000 0.264 472 L C -1.595 175.042 176.870 -0.388 0.000 0.968 472 L CA -0.349 54.089 54.840 -0.669 0.000 0.827 472 L CB 1.940 43.132 42.059 -1.444 0.000 1.317 472 L HN 0.870 nan 8.230 nan 0.000 0.407 473 K N 4.419 124.656 120.400 -0.272 0.000 2.450 473 K HA 0.629 4.951 4.320 0.003 0.000 0.257 473 K C -1.450 175.051 176.600 -0.164 0.000 0.953 473 K CA -0.752 55.425 56.287 -0.185 0.000 0.844 473 K CB 2.196 34.669 32.500 -0.045 0.000 1.103 473 K HN 0.405 nan 8.250 nan 0.000 0.429 474 V N 2.475 122.278 119.914 -0.186 0.000 2.350 474 V HA 0.228 4.349 4.120 0.003 0.000 0.276 474 V C 0.958 177.016 176.094 -0.060 0.000 1.028 474 V CA -0.238 61.983 62.300 -0.132 0.000 0.860 474 V CB 1.140 32.872 31.823 -0.152 0.000 0.990 474 V HN 1.087 nan 8.190 nan 0.000 0.453 475 G N 2.972 111.762 108.800 -0.017 0.000 2.709 475 G HA2 0.165 4.127 3.960 0.003 0.000 0.208 475 G HA3 0.165 4.127 3.960 0.003 0.000 0.208 475 G C 0.026 174.933 174.900 0.012 0.000 1.129 475 G CA 0.292 45.404 45.100 0.020 0.000 0.793 475 G HN 0.616 nan 8.290 nan 0.000 0.524 476 D N -2.620 117.780 120.400 -0.000 0.000 2.622 476 D HA 0.474 5.116 4.640 0.003 0.000 0.255 476 D C 0.639 176.937 176.300 -0.004 0.000 1.246 476 D CA 0.823 54.824 54.000 0.001 0.000 0.795 476 D CB 1.278 42.080 40.800 0.004 0.000 1.369 476 D HN 0.643 nan 8.370 nan 0.000 0.425 477 G N 0.668 109.470 108.800 0.003 0.000 2.539 477 G HA2 -0.116 3.846 3.960 0.003 0.000 0.256 477 G HA3 -0.116 3.846 3.960 0.003 0.000 0.256 477 G C -0.563 174.339 174.900 0.003 0.000 1.233 477 G CA 0.297 45.400 45.100 0.005 0.000 0.936 477 G HN 0.729 nan 8.290 nan 0.000 0.571 478 T N -0.230 114.325 114.554 0.002 0.000 2.863 478 T HA 0.610 4.962 4.350 0.003 0.000 0.285 478 T C -0.449 174.246 174.700 -0.009 0.000 1.009 478 T CA -0.203 61.901 62.100 0.006 0.000 0.989 478 T CB 2.181 71.062 68.868 0.023 0.000 1.004 478 T HN 1.041 nan 8.240 nan 0.000 0.455 479 V N 3.855 123.762 119.914 -0.012 0.000 2.487 479 V HA 0.499 4.621 4.120 0.003 0.000 0.298 479 V C -0.424 175.681 176.094 0.019 0.000 1.028 479 V CA -0.799 61.494 62.300 -0.010 0.000 0.860 479 V CB 1.520 33.318 31.823 -0.042 0.000 0.991 479 V HN 0.783 nan 8.190 nan 0.000 0.427 480 I N 5.777 126.369 120.570 0.037 0.000 2.321 480 I HA 0.388 4.560 4.170 0.003 0.000 0.291 480 I C -0.437 175.720 176.117 0.067 0.000 0.998 480 I CA -0.415 60.912 61.300 0.046 0.000 1.227 480 I CB 1.395 39.420 38.000 0.041 0.000 1.368 480 I HN 0.343 nan 8.210 nan 0.000 0.466 481 L N 7.567 128.829 121.223 0.065 0.000 2.259 481 L HA 0.371 4.712 4.340 0.003 0.000 0.288 481 L C 0.529 177.425 176.870 0.043 0.000 1.051 481 L CA -0.091 54.795 54.840 0.076 0.000 0.824 481 L CB 0.489 42.600 42.059 0.087 0.000 1.206 481 L HN 0.618 nan 8.230 nan 0.000 0.429 482 K N 2.600 123.022 120.400 0.037 0.000 3.012 482 K HA 0.123 4.444 4.320 0.003 0.000 0.207 482 K C -0.041 176.565 176.600 0.010 0.000 1.130 482 K CA -0.446 55.854 56.287 0.022 0.000 1.021 482 K CB 0.710 33.227 32.500 0.028 0.000 0.736 482 K HN 0.443 nan 8.250 nan 0.000 0.448 483 Q N 1.630 121.426 119.800 -0.007 0.000 2.315 483 Q HA -0.024 4.317 4.340 0.003 0.000 0.289 483 Q C -0.761 175.229 176.000 -0.016 0.000 1.044 483 Q CA 1.038 56.825 55.803 -0.026 0.000 0.920 483 Q CB 0.681 29.374 28.738 -0.075 0.000 1.214 483 Q HN 0.234 nan 8.270 nan 0.000 0.392 484 Q N 1.398 121.193 119.800 -0.009 0.000 2.226 484 Q HA 0.673 5.015 4.340 0.003 0.000 0.256 484 Q C -0.890 175.106 176.000 -0.006 0.000 0.962 484 Q CA -0.773 55.026 55.803 -0.006 0.000 0.887 484 Q CB 1.590 30.326 28.738 -0.002 0.000 1.282 484 Q HN 0.769 nan 8.270 nan 0.000 0.449 485 A N 1.755 124.571 122.820 -0.007 0.000 2.371 485 A HA 0.243 4.565 4.320 0.003 0.000 0.257 485 A C -0.293 177.290 177.584 -0.002 0.000 1.089 485 A CA -0.580 51.453 52.037 -0.006 0.000 0.794 485 A CB 0.126 19.121 19.000 -0.009 0.000 1.029 485 A HN 0.785 nan 8.150 nan 0.000 0.488 486 D N 1.159 121.560 120.400 0.001 0.000 2.398 486 D HA 0.381 5.023 4.640 0.003 0.000 0.264 486 D C 1.109 177.407 176.300 -0.003 0.000 1.263 486 D CA 0.156 54.156 54.000 0.001 0.000 1.037 486 D CB 0.280 41.085 40.800 0.008 0.000 1.101 486 D HN 0.419 nan 8.370 nan 0.000 0.551 487 A N -0.643 122.174 122.820 -0.005 0.000 2.121 487 A HA -0.170 4.152 4.320 0.003 0.000 0.218 487 A C 1.774 179.354 177.584 -0.005 0.000 1.154 487 A CA 1.361 53.394 52.037 -0.006 0.000 0.679 487 A CB -0.973 18.022 19.000 -0.008 0.000 0.795 487 A HN 0.563 nan 8.150 nan 0.000 0.458 488 N N -0.305 118.393 118.700 -0.004 0.000 2.322 488 N HA -0.041 4.701 4.740 0.003 0.000 0.194 488 N C 0.367 175.874 175.510 -0.005 0.000 1.126 488 N CA 0.460 53.507 53.050 -0.004 0.000 0.845 488 N CB -0.419 38.066 38.487 -0.003 0.000 0.976 488 N HN 0.359 nan 8.380 nan 0.000 0.475 489 N N 0.091 118.788 118.700 -0.005 0.000 2.747 489 N HA -0.192 4.550 4.740 0.003 0.000 0.249 489 N C -1.401 174.104 175.510 -0.008 0.000 1.107 489 N CA 0.687 53.733 53.050 -0.007 0.000 0.707 489 N CB -0.822 37.661 38.487 -0.007 0.000 1.054 489 N HN 0.179 nan 8.380 nan 0.000 0.555 490 K N 0.100 120.496 120.400 -0.007 0.000 2.130 490 K HA 0.674 4.995 4.320 0.003 0.000 0.268 490 K C -0.405 176.187 176.600 -0.013 0.000 0.983 490 K CA -0.662 55.619 56.287 -0.009 0.000 0.893 490 K CB 2.293 34.790 32.500 -0.006 0.000 1.066 490 K HN 0.046 nan 8.250 nan 0.000 0.450 491 V N 2.218 122.118 119.914 -0.024 0.000 2.752 491 V HA 0.507 4.629 4.120 0.003 0.000 0.302 491 V C -1.737 174.325 176.094 -0.054 0.000 1.133 491 V CA -0.614 61.664 62.300 -0.035 0.000 0.919 491 V CB 1.778 33.584 31.823 -0.029 0.000 1.026 491 V HN 0.821 nan 8.190 nan 0.000 0.429 492 K N 5.097 125.444 120.400 -0.088 0.000 2.589 492 K HA 0.731 5.052 4.320 0.003 0.000 0.253 492 K C 0.431 176.915 176.600 -0.193 0.000 0.974 492 K CA 0.167 56.391 56.287 -0.105 0.000 0.835 492 K CB 1.982 34.428 32.500 -0.090 0.000 1.272 492 K HN 0.820 nan 8.250 nan 0.000 0.444 493 A N 4.196 126.906 122.820 -0.182 0.000 1.872 493 A HA 0.201 4.523 4.320 0.003 0.000 0.214 493 A C -0.159 176.956 177.584 -0.781 0.000 1.187 493 A CA 1.086 52.894 52.037 -0.381 0.000 0.614 493 A CB -0.148 18.768 19.000 -0.140 0.000 0.826 493 A HN 0.517 nan 8.150 nan 0.000 0.442 494 F N -2.972 116.951 119.950 -0.045 0.000 2.678 494 F HA 0.313 4.841 4.527 0.003 0.000 0.308 494 F C 1.246 177.026 175.800 -0.034 0.000 1.118 494 F CA -0.236 57.741 58.000 -0.038 0.000 0.959 494 F CB 1.525 40.508 39.000 -0.029 0.000 1.305 494 F HN -0.005 nan 8.300 nan 0.000 0.443 495 S N -0.051 115.759 115.700 0.183 0.000 2.428 495 S HA 0.051 4.523 4.470 0.003 0.000 0.230 495 S C 0.287 174.951 174.600 0.107 0.000 1.014 495 S CA 0.688 58.950 58.200 0.104 0.000 0.957 495 S CB 0.139 63.387 63.200 0.079 0.000 0.784 495 S HN 0.687 nan 8.310 nan 0.000 0.499 496 Q N -0.527 119.349 119.800 0.127 0.000 2.386 496 Q HA 0.601 4.942 4.340 0.003 0.000 0.274 496 Q C -2.429 173.561 176.000 -0.016 0.000 1.011 496 Q CA -0.662 55.191 55.803 0.085 0.000 0.867 496 Q CB 2.335 31.148 28.738 0.125 0.000 1.409 496 Q HN 0.139 nan 8.270 nan 0.000 0.395 497 V N 2.282 122.128 119.914 -0.112 0.000 2.482 497 V HA 0.739 4.861 4.120 0.003 0.000 0.295 497 V C -0.003 175.740 176.094 -0.585 0.000 1.026 497 V CA -0.321 61.794 62.300 -0.309 0.000 0.856 497 V CB 1.664 33.342 31.823 -0.241 0.000 1.001 497 V HN 0.803 nan 8.190 nan 0.000 0.424 498 G N 4.632 112.968 108.800 -0.773 0.000 2.371 498 G HA2 0.781 4.742 3.960 0.003 0.000 0.326 498 G HA3 0.781 4.742 3.960 0.003 0.000 0.326 498 G C -0.912 173.569 174.900 -0.697 0.000 1.127 498 G CA -0.523 43.734 45.100 -1.404 0.000 0.885 498 G HN 0.614 nan 8.290 nan 0.000 0.477 499 I N 2.120 122.329 120.570 -0.601 0.000 2.439 499 I HA 0.395 4.567 4.170 0.003 0.000 0.283 499 I C -0.251 175.828 176.117 -0.064 0.000 1.023 499 I CA -0.928 60.197 61.300 -0.292 0.000 1.100 499 I CB 1.817 39.586 38.000 -0.384 0.000 1.238 499 I HN 0.394 nan 8.210 nan 0.000 0.445 500 V N 2.104 122.023 119.914 0.007 0.000 3.078 500 V HA 0.775 4.896 4.120 0.003 0.000 0.311 500 V C 0.455 176.606 176.094 0.094 0.000 1.138 500 V CA 0.128 62.494 62.300 0.109 0.000 1.007 500 V CB 1.692 33.626 31.823 0.185 0.000 1.045 500 V HN 1.004 nan 8.190 nan 0.000 0.432 501 S N 0.465 116.231 115.700 0.110 0.000 2.044 501 S HA -0.092 4.380 4.470 0.003 0.000 0.248 501 S C 2.235 176.824 174.600 -0.017 0.000 1.146 501 S CA 1.629 59.877 58.200 0.079 0.000 1.370 501 S CB -1.894 61.361 63.200 0.091 0.000 1.698 501 S HN 3.277 nan 8.310 nan 0.000 0.578 502 G N 1.567 110.356 108.800 -0.018 0.000 2.253 502 G HA2 -0.354 3.607 3.960 0.003 0.000 0.251 502 G HA3 -0.354 3.607 3.960 0.003 0.000 0.251 502 G C 0.705 175.598 174.900 -0.011 0.000 0.998 502 G CA 0.780 45.859 45.100 -0.035 0.000 0.621 502 G HN 0.867 nan 8.290 nan 0.000 0.524 503 R N 0.772 121.273 120.500 0.002 0.000 2.246 503 R HA 0.288 4.630 4.340 0.003 0.000 0.199 503 R C 1.656 177.962 176.300 0.011 0.000 0.984 503 R CA 1.025 57.126 56.100 0.003 0.000 1.015 503 R CB 0.138 30.441 30.300 0.005 0.000 0.930 503 R HN 0.607 nan 8.270 nan 0.000 0.475 504 S N -0.541 115.169 115.700 0.017 0.000 2.718 504 S HA 0.495 4.966 4.470 0.003 0.000 0.300 504 S C -0.232 174.386 174.600 0.031 0.000 1.117 504 S CA -0.619 57.589 58.200 0.014 0.000 1.002 504 S CB 2.551 65.747 63.200 -0.007 0.000 1.092 504 S HN -0.105 nan 8.310 nan 0.000 0.542 505 T N 1.106 115.676 114.554 0.026 0.000 2.886 505 T HA 0.578 4.930 4.350 0.003 0.000 0.292 505 T C -1.170 173.537 174.700 0.010 0.000 1.012 505 T CA -0.533 61.591 62.100 0.041 0.000 0.982 505 T CB 1.481 70.393 68.868 0.074 0.000 1.018 505 T HN 0.591 nan 8.240 nan 0.000 0.451 506 V N 3.366 123.279 119.914 -0.002 0.000 2.417 506 V HA 0.528 4.649 4.120 0.003 0.000 0.291 506 V C -0.268 175.829 176.094 0.005 0.000 1.024 506 V CA -0.707 61.582 62.300 -0.019 0.000 0.861 506 V CB 1.825 33.607 31.823 -0.069 0.000 0.985 506 V HN 0.721 nan 8.190 nan 0.000 0.436 507 V N 6.315 126.240 119.914 0.018 0.000 2.398 507 V HA 0.449 4.570 4.120 0.003 0.000 0.286 507 V C -0.118 175.991 176.094 0.025 0.000 1.026 507 V CA -0.564 61.752 62.300 0.026 0.000 0.868 507 V CB 1.684 33.533 31.823 0.042 0.000 0.982 507 V HN 0.623 nan 8.190 nan 0.000 0.443 508 L N 3.974 125.209 121.223 0.021 0.000 2.260 508 L HA 0.402 4.744 4.340 0.003 0.000 0.289 508 L C 1.202 178.082 176.870 0.016 0.000 1.057 508 L CA -0.288 54.562 54.840 0.017 0.000 0.811 508 L CB 0.745 42.810 42.059 0.010 0.000 1.184 508 L HN 0.642 nan 8.230 nan 0.000 0.429 509 N N 1.370 120.080 118.700 0.017 0.000 2.300 509 N HA -0.095 4.647 4.740 0.003 0.000 0.179 509 N C -0.144 175.370 175.510 0.007 0.000 1.016 509 N CA 0.925 53.984 53.050 0.015 0.000 0.876 509 N CB 0.405 38.902 38.487 0.017 0.000 0.979 509 N HN 0.851 nan 8.380 nan 0.000 0.432 510 D N -2.433 117.967 120.400 0.000 0.000 2.744 510 D HA 0.113 4.755 4.640 0.003 0.000 0.304 510 D C -0.699 175.590 176.300 -0.018 0.000 1.179 510 D CA -0.665 53.330 54.000 -0.008 0.000 1.024 510 D CB -0.027 40.767 40.800 -0.009 0.000 1.453 510 D HN 0.011 nan 8.370 nan 0.000 0.529 511 D N -1.250 119.134 120.400 -0.027 0.000 2.336 511 D HA 0.047 4.688 4.640 0.003 0.000 0.228 511 D C 0.344 176.616 176.300 -0.048 0.000 1.120 511 D CA -0.039 53.934 54.000 -0.044 0.000 0.839 511 D CB 0.014 40.783 40.800 -0.051 0.000 0.932 511 D HN 0.379 nan 8.370 nan 0.000 0.509 512 K N -0.241 120.138 120.400 -0.035 0.000 2.358 512 K HA 0.122 4.443 4.320 0.003 0.000 0.200 512 K C 1.399 177.979 176.600 -0.033 0.000 1.030 512 K CA -0.173 56.093 56.287 -0.034 0.000 1.097 512 K CB 0.667 33.151 32.500 -0.027 0.000 0.862 512 K HN -0.014 nan 8.250 nan 0.000 0.534 513 Q N 0.203 119.986 119.800 -0.028 0.000 2.096 513 Q HA 0.048 4.389 4.340 0.003 0.000 0.197 513 Q C 0.869 176.861 176.000 -0.012 0.000 0.964 513 Q CA 0.811 56.603 55.803 -0.018 0.000 0.838 513 Q CB 0.446 29.186 28.738 0.003 0.000 0.906 513 Q HN 0.119 nan 8.270 nan 0.000 0.444 514 V N 0.543 120.446 119.914 -0.018 0.000 3.120 514 V HA 0.226 4.348 4.120 0.003 0.000 0.303 514 V C -1.757 174.308 176.094 -0.048 0.000 1.238 514 V CA -1.020 61.275 62.300 -0.008 0.000 1.008 514 V CB 2.407 34.245 31.823 0.025 0.000 1.064 514 V HN 0.069 nan 8.190 nan 0.000 0.434 515 D N 5.467 125.844 120.400 -0.038 0.000 2.371 515 D HA 0.297 4.939 4.640 0.003 0.000 0.256 515 D C -1.787 174.448 176.300 -0.108 0.000 1.193 515 D CA -1.578 52.382 54.000 -0.067 0.000 0.881 515 D CB 2.093 42.879 40.800 -0.024 0.000 1.143 515 D HN 0.328 nan 8.370 nan 0.000 0.473 516 P HA -0.105 nan 4.420 nan 0.000 0.218 516 P C 0.722 177.951 177.300 -0.118 0.000 1.148 516 P CA 0.822 63.648 63.100 -0.458 0.000 0.822 516 P CB 0.237 31.198 31.700 -1.231 0.000 0.784 517 N N -1.001 117.682 118.700 -0.028 0.000 2.550 517 N HA -0.057 4.684 4.740 0.003 0.000 0.186 517 N C 1.185 176.779 175.510 0.141 0.000 1.110 517 N CA 1.129 54.260 53.050 0.136 0.000 0.912 517 N CB -0.374 38.181 38.487 0.112 0.000 0.968 517 N HN 0.268 nan 8.380 nan 0.000 0.448 518 S N -0.573 115.181 115.700 0.089 0.000 2.557 518 S HA 0.267 4.739 4.470 0.003 0.000 0.223 518 S C 0.572 175.229 174.600 0.096 0.000 0.969 518 S CA -0.510 57.751 58.200 0.102 0.000 0.927 518 S CB -0.029 63.213 63.200 0.070 0.000 0.806 518 S HN 0.052 nan 8.310 nan 0.000 0.489 519 I N 2.812 123.432 120.570 0.084 0.000 2.396 519 I HA 0.443 4.615 4.170 0.003 0.000 0.292 519 I C -0.500 175.641 176.117 0.040 0.000 0.999 519 I CA -1.241 60.042 61.300 -0.028 0.000 1.310 519 I CB 1.043 39.026 38.000 -0.029 0.000 1.404 519 I HN 0.405 nan 8.210 nan 0.000 0.496 520 Y N 3.632 123.851 120.300 -0.135 0.000 2.512 520 Y HA 0.641 5.193 4.550 0.003 0.000 0.348 520 Y C -1.645 174.123 175.900 -0.221 0.000 0.990 520 Y CA -1.536 56.511 58.100 -0.087 0.000 1.033 520 Y CB 0.935 39.401 38.460 0.010 0.000 1.259 520 Y HN 0.239 nan 8.280 nan 0.000 0.461 521 F N 3.089 123.143 119.950 0.173 0.000 2.371 521 F HA 0.653 5.181 4.527 0.003 0.000 0.363 521 F C 0.922 176.845 175.800 0.206 0.000 1.122 521 F CA -0.136 57.922 58.000 0.097 0.000 1.129 521 F CB 1.237 40.270 39.000 0.054 0.000 1.173 521 F HN 0.909 nan 8.300 nan 0.000 0.489 522 G N 2.254 111.296 108.800 0.402 0.000 2.630 522 G HA2 0.155 4.116 3.960 0.003 0.000 0.223 522 G HA3 0.155 4.116 3.960 0.003 0.000 0.223 522 G C -0.863 174.190 174.900 0.255 0.000 1.434 522 G CA -0.686 44.632 45.100 0.363 0.000 1.057 522 G HN 0.441 nan 8.290 nan 0.000 0.570 523 F N 1.110 121.124 119.950 0.108 0.000 2.549 523 F HA 0.100 4.629 4.527 0.003 0.000 0.400 523 F C 1.705 177.546 175.800 0.069 0.000 1.011 523 F CA 0.776 58.820 58.000 0.074 0.000 1.148 523 F CB 0.117 39.172 39.000 0.093 0.000 0.993 523 F HN 0.628 nan 8.300 nan 0.000 0.540 524 R N 2.718 122.901 120.500 -0.527 0.000 3.977 524 R HA -0.245 4.096 4.340 0.003 0.000 0.428 524 R C 1.245 177.459 176.300 -0.143 0.000 1.079 524 R CA 0.631 56.467 56.100 -0.441 0.000 1.269 524 R CB -2.104 27.831 30.300 -0.608 0.000 1.856 524 R HN 1.356 nan 8.270 nan 0.000 0.551 525 G N -0.867 107.935 108.800 0.004 0.000 2.634 525 G HA2 -0.054 3.907 3.960 0.003 0.000 0.309 525 G HA3 -0.054 3.907 3.960 0.003 0.000 0.309 525 G C 0.508 175.508 174.900 0.167 0.000 1.265 525 G CA 0.616 45.822 45.100 0.176 0.000 0.998 525 G HN 1.336 nan 8.290 nan 0.000 0.551 526 G N -2.211 106.705 108.800 0.192 0.000 2.350 526 G HA2 0.530 4.492 3.960 0.003 0.000 0.282 526 G HA3 0.530 4.492 3.960 0.003 0.000 0.282 526 G C -0.912 174.137 174.900 0.248 0.000 1.314 526 G CA 0.196 45.389 45.100 0.156 0.000 0.915 526 G HN 1.006 nan 8.290 nan 0.000 0.499 527 R N -0.792 119.825 120.500 0.195 0.000 2.514 527 R HA 0.649 4.991 4.340 0.003 0.000 0.301 527 R C -1.038 175.388 176.300 0.211 0.000 0.962 527 R CA -0.751 55.465 56.100 0.194 0.000 0.882 527 R CB 2.040 32.393 30.300 0.087 0.000 1.143 527 R HN 0.477 nan 8.270 nan 0.000 0.452 528 L N 2.630 124.017 121.223 0.274 0.000 2.294 528 L HA 0.312 4.653 4.340 0.003 0.000 0.283 528 L C -1.043 175.869 176.870 0.070 0.000 1.015 528 L CA -0.371 54.571 54.840 0.170 0.000 0.831 528 L CB 1.318 43.545 42.059 0.279 0.000 1.217 528 L HN 0.464 nan 8.230 nan 0.000 0.420 529 D N 3.981 124.375 120.400 -0.009 0.000 2.428 529 D HA 0.364 5.006 4.640 0.003 0.000 0.221 529 D C 0.907 177.196 176.300 -0.017 0.000 1.123 529 D CA 0.243 54.187 54.000 -0.094 0.000 0.869 529 D CB 1.828 42.541 40.800 -0.144 0.000 1.032 529 D HN 0.673 nan 8.370 nan 0.000 0.506 530 A N 4.486 127.309 122.820 0.006 0.000 2.121 530 A HA -0.141 4.181 4.320 0.003 0.000 0.218 530 A C 1.353 178.946 177.584 0.015 0.000 1.154 530 A CA 0.924 52.979 52.037 0.030 0.000 0.679 530 A CB -0.639 18.391 19.000 0.051 0.000 0.795 530 A HN 0.770 nan 8.150 nan 0.000 0.458 531 N N -2.775 115.929 118.700 0.007 0.000 2.740 531 N HA -0.190 4.552 4.740 0.003 0.000 0.248 531 N C 0.784 176.307 175.510 0.021 0.000 1.062 531 N CA 1.772 54.835 53.050 0.022 0.000 0.704 531 N CB -1.637 36.866 38.487 0.026 0.000 0.968 531 N HN 1.540 nan 8.380 nan 0.000 0.547 532 G N -1.932 106.880 108.800 0.019 0.000 2.205 532 G HA2 -0.358 3.604 3.960 0.003 0.000 0.261 532 G HA3 -0.358 3.604 3.960 0.003 0.000 0.261 532 G C 0.143 175.046 174.900 0.005 0.000 0.980 532 G CA 0.374 45.482 45.100 0.014 0.000 0.632 532 G HN 0.739 nan 8.290 nan 0.000 0.533 533 N N 0.985 119.687 118.700 0.004 0.000 2.483 533 N HA 0.502 5.244 4.740 0.003 0.000 0.269 533 N C -0.247 175.258 175.510 -0.008 0.000 1.209 533 N CA -0.407 52.640 53.050 -0.005 0.000 0.969 533 N CB 0.398 38.880 38.487 -0.009 0.000 1.173 533 N HN 0.213 nan 8.380 nan 0.000 0.475 534 N N 0.823 119.511 118.700 -0.020 0.000 2.473 534 N HA 0.449 5.191 4.740 0.003 0.000 0.291 534 N C -1.129 174.354 175.510 -0.045 0.000 1.083 534 N CA -0.281 52.752 53.050 -0.028 0.000 0.951 534 N CB 1.098 39.565 38.487 -0.033 0.000 1.164 534 N HN 0.329 nan 8.380 nan 0.000 0.480 535 L N 0.653 121.851 121.223 -0.041 0.000 2.401 535 L HA 0.517 4.859 4.340 0.003 0.000 0.266 535 L C -0.182 176.622 176.870 -0.108 0.000 0.991 535 L CA -0.720 54.052 54.840 -0.113 0.000 0.818 535 L CB 2.268 44.266 42.059 -0.103 0.000 1.321 535 L HN 0.294 nan 8.230 nan 0.000 0.413 536 T N 1.873 116.307 114.554 -0.199 0.000 2.786 536 T HA 0.627 4.978 4.350 0.003 0.000 0.283 536 T C -0.761 173.817 174.700 -0.203 0.000 0.992 536 T CA -0.268 61.764 62.100 -0.114 0.000 0.954 536 T CB 0.664 69.489 68.868 -0.072 0.000 0.934 536 T HN 0.116 nan 8.240 nan 0.000 0.440 537 F N 1.013 120.938 119.950 -0.041 0.000 2.492 537 F HA 0.399 4.927 4.527 0.003 0.000 0.327 537 F C 1.669 177.498 175.800 0.049 0.000 1.079 537 F CA -0.905 57.095 58.000 0.001 0.000 0.967 537 F CB 1.619 40.605 39.000 -0.022 0.000 1.169 537 F HN 0.595 nan 8.300 nan 0.000 0.472 538 E N 0.031 120.406 120.200 0.292 0.000 2.072 538 E HA -0.132 4.219 4.350 0.003 0.000 0.190 538 E C -0.314 176.524 176.600 0.396 0.000 0.982 538 E CA 1.152 57.725 56.400 0.289 0.000 0.803 538 E CB 0.146 29.987 29.700 0.235 0.000 0.755 538 E HN 0.517 nan 8.360 nan 0.000 0.453 539 H N -1.447 117.794 119.070 0.284 0.000 3.112 539 H HA 0.284 4.842 4.556 0.003 0.000 0.347 539 H C -1.601 173.834 175.328 0.178 0.000 1.188 539 H CA -0.573 55.611 56.048 0.227 0.000 1.240 539 H CB 0.681 30.570 29.762 0.212 0.000 1.920 539 H HN -0.140 nan 8.280 nan 0.000 0.535 540 I N 5.204 125.366 120.570 -0.680 0.000 2.308 540 I HA 0.260 4.432 4.170 0.003 0.000 0.293 540 I C 0.394 176.188 176.117 -0.538 0.000 1.078 540 I CA -0.311 60.601 61.300 -0.648 0.000 1.292 540 I CB 0.408 37.852 38.000 -0.926 0.000 1.423 540 I HN 0.384 nan 8.210 nan 0.000 0.493 541 R N 5.666 126.107 120.500 -0.098 0.000 2.449 541 R HA 0.180 4.522 4.340 0.003 0.000 0.296 541 R C -0.415 176.068 176.300 0.304 0.000 1.047 541 R CA 0.175 56.373 56.100 0.163 0.000 1.018 541 R CB 0.158 30.630 30.300 0.286 0.000 0.962 541 R HN 0.800 nan 8.270 nan 0.000 0.428 542 N N 0.885 119.758 118.700 0.288 0.000 2.745 542 N HA 0.183 4.925 4.740 0.003 0.000 0.256 542 N C -0.469 175.080 175.510 0.065 0.000 1.268 542 N CA -0.781 52.407 53.050 0.230 0.000 0.887 542 N CB 1.012 39.606 38.487 0.178 0.000 1.575 542 N HN 0.317 nan 8.380 nan 0.000 0.496 543 I N -0.862 119.676 120.570 -0.053 0.000 3.445 543 I HA 0.209 4.381 4.170 0.003 0.000 0.288 543 I C -0.295 175.780 176.117 -0.070 0.000 1.198 543 I CA 0.472 61.661 61.300 -0.185 0.000 1.417 543 I CB -0.058 37.807 38.000 -0.224 0.000 1.205 543 I HN 0.779 nan 8.210 nan 0.000 0.448 544 D N -1.447 118.882 120.400 -0.119 0.000 2.825 544 D HA 0.036 4.678 4.640 0.003 0.000 0.327 544 D C -0.299 175.838 176.300 -0.272 0.000 1.277 544 D CA -0.453 53.446 54.000 -0.168 0.000 0.950 544 D CB 0.070 40.788 40.800 -0.137 0.000 1.438 544 D HN -0.075 nan 8.370 nan 0.000 0.526 545 D N -1.362 118.888 120.400 -0.250 0.000 2.349 545 D HA 0.129 4.770 4.640 0.003 0.000 0.224 545 D C 1.675 177.894 176.300 -0.135 0.000 1.029 545 D CA 0.443 54.285 54.000 -0.263 0.000 0.879 545 D CB -0.519 40.169 40.800 -0.186 0.000 0.906 545 D HN 0.523 nan 8.370 nan 0.000 0.528 546 G N 0.007 108.698 108.800 -0.181 0.000 2.534 546 G HA2 0.106 4.068 3.960 0.003 0.000 0.217 546 G HA3 0.106 4.068 3.960 0.003 0.000 0.217 546 G C 0.810 175.600 174.900 -0.183 0.000 1.128 546 G CA 0.249 45.259 45.100 -0.150 0.000 0.784 546 G HN 0.530 nan 8.290 nan 0.000 0.542 547 A N 0.355 122.963 122.820 -0.354 0.000 2.524 547 A HA 0.579 4.901 4.320 0.003 0.000 0.250 547 A C 0.458 177.681 177.584 -0.602 0.000 1.078 547 A CA -0.013 51.548 52.037 -0.793 0.000 0.761 547 A CB 0.100 18.483 19.000 -1.029 0.000 1.012 547 A HN 0.372 nan 8.150 nan 0.000 0.500 548 R N 2.453 122.636 120.500 -0.527 0.000 2.564 548 R HA 0.568 4.909 4.340 0.003 0.000 0.284 548 R C -2.110 174.148 176.300 -0.071 0.000 1.031 548 R CA -0.690 55.306 56.100 -0.172 0.000 0.904 548 R CB 1.033 31.296 30.300 -0.061 0.000 1.199 548 R HN 0.601 nan 8.270 nan 0.000 0.443 549 L N 5.147 126.360 121.223 -0.018 0.000 2.296 549 L HA 0.540 4.882 4.340 0.003 0.000 0.286 549 L C -0.398 176.531 176.870 0.100 0.000 1.023 549 L CA -0.422 54.472 54.840 0.091 0.000 0.812 549 L CB 1.837 43.975 42.059 0.131 0.000 1.223 549 L HN 0.508 nan 8.230 nan 0.000 0.421 550 V N 0.557 120.488 119.914 0.027 0.000 3.158 550 V HA 0.769 4.891 4.120 0.003 0.000 0.311 550 V C -1.059 174.987 176.094 -0.081 0.000 1.181 550 V CA -0.759 61.516 62.300 -0.043 0.000 1.054 550 V CB 2.274 33.979 31.823 -0.197 0.000 1.085 550 V HN 0.725 nan 8.190 nan 0.000 0.446 551 N N -0.886 117.777 118.700 -0.062 0.000 2.504 551 N HA 0.469 5.210 4.740 0.003 0.000 0.280 551 N C -0.255 175.283 175.510 0.047 0.000 1.052 551 N CA -0.428 52.603 53.050 -0.032 0.000 0.887 551 N CB 1.065 39.566 38.487 0.023 0.000 1.323 551 N HN 0.876 nan 8.380 nan 0.000 0.509 552 H N 0.682 119.774 119.070 0.036 0.000 2.551 552 H HA 0.179 4.737 4.556 0.003 0.000 0.271 552 H C -0.086 175.254 175.328 0.021 0.000 0.984 552 H CA -0.344 55.720 56.048 0.026 0.000 1.164 552 H CB 0.550 30.327 29.762 0.024 0.000 1.437 552 H HN 0.369 nan 8.280 nan 0.000 0.550 553 N N 1.601 120.377 118.700 0.128 0.000 2.406 553 N HA -0.043 4.699 4.740 0.003 0.000 0.251 553 N C 0.877 176.424 175.510 0.061 0.000 1.069 553 N CA 0.059 53.156 53.050 0.077 0.000 0.947 553 N CB 1.086 39.604 38.487 0.052 0.000 1.111 553 N HN 0.237 nan 8.380 nan 0.000 0.497 554 T N -0.712 113.872 114.554 0.050 0.000 3.169 554 T HA -0.003 4.348 4.350 0.003 0.000 0.250 554 T C 1.288 176.003 174.700 0.026 0.000 1.111 554 T CA 0.493 62.615 62.100 0.037 0.000 1.010 554 T CB -0.224 68.662 68.868 0.030 0.000 0.984 554 T HN 0.389 nan 8.240 nan 0.000 0.537 555 S N -0.665 115.049 115.700 0.024 0.000 2.512 555 S HA 0.342 4.813 4.470 0.003 0.000 0.216 555 S C 0.299 174.908 174.600 0.015 0.000 1.006 555 S CA -0.606 57.604 58.200 0.017 0.000 0.915 555 S CB 0.079 63.287 63.200 0.015 0.000 0.824 555 S HN 0.501 nan 8.310 nan 0.000 0.497 556 K N 1.046 121.457 120.400 0.017 0.000 2.501 556 K HA 0.456 4.778 4.320 0.003 0.000 0.252 556 K C -1.511 175.097 176.600 0.014 0.000 0.934 556 K CA -0.307 55.987 56.287 0.013 0.000 0.797 556 K CB 1.971 34.478 32.500 0.011 0.000 1.270 556 K HN 0.037 nan 8.250 nan 0.000 0.431 557 T N 1.777 116.335 114.554 0.008 0.000 2.845 557 T HA 0.248 4.599 4.350 0.003 0.000 0.288 557 T C -0.423 174.277 174.700 0.001 0.000 0.980 557 T CA -0.324 61.779 62.100 0.006 0.000 1.071 557 T CB 1.285 70.153 68.868 0.000 0.000 0.941 557 T HN 0.426 nan 8.240 nan 0.000 0.487 558 S N 2.230 117.932 115.700 0.002 0.000 2.480 558 S HA 0.495 4.967 4.470 0.003 0.000 0.286 558 S C 0.133 174.721 174.600 -0.020 0.000 1.180 558 S CA -0.675 57.523 58.200 -0.003 0.000 1.075 558 S CB 0.874 64.080 63.200 0.010 0.000 0.996 558 S HN 0.677 nan 8.310 nan 0.000 0.487 559 T N 2.935 117.470 114.554 -0.032 0.000 2.770 559 T HA 0.411 4.763 4.350 0.003 0.000 0.283 559 T C -0.451 174.211 174.700 -0.065 0.000 0.988 559 T CA -0.437 61.626 62.100 -0.061 0.000 0.957 559 T CB 1.010 69.841 68.868 -0.062 0.000 0.930 559 T HN 0.309 nan 8.240 nan 0.000 0.443 560 V N 4.387 124.238 119.914 -0.105 0.000 2.370 560 V HA 0.402 4.524 4.120 0.003 0.000 0.279 560 V C 0.403 176.381 176.094 -0.193 0.000 1.029 560 V CA -0.547 61.703 62.300 -0.085 0.000 0.870 560 V CB 1.447 33.224 31.823 -0.076 0.000 0.984 560 V HN 0.949 nan 8.190 nan 0.000 0.451 561 T N 6.761 121.244 114.554 -0.119 0.000 2.794 561 T HA 0.674 5.026 4.350 0.003 0.000 0.280 561 T C -0.270 174.339 174.700 -0.152 0.000 0.987 561 T CA -0.152 61.837 62.100 -0.183 0.000 0.993 561 T CB 1.037 69.842 68.868 -0.105 0.000 0.939 561 T HN 0.383 nan 8.240 nan 0.000 0.449 562 I N 2.860 123.224 120.570 -0.344 0.000 2.389 562 I HA 0.286 4.458 4.170 0.003 0.000 0.288 562 I C 1.320 177.384 176.117 -0.087 0.000 0.999 562 I CA -0.642 60.513 61.300 -0.241 0.000 1.129 562 I CB 2.110 39.770 38.000 -0.567 0.000 1.288 562 I HN 0.792 nan 8.210 nan 0.000 0.444 563 T N 1.034 115.689 114.554 0.169 0.000 2.990 563 T HA 0.448 4.800 4.350 0.003 0.000 0.250 563 T C 0.879 175.862 174.700 0.472 0.000 1.041 563 T CA 0.209 62.474 62.100 0.275 0.000 1.010 563 T CB 0.452 69.422 68.868 0.170 0.000 1.003 563 T HN 1.008 nan 8.240 nan 0.000 0.499 564 G N 1.217 110.343 108.800 0.542 0.000 2.814 564 G HA2 -0.107 3.855 3.960 0.003 0.000 0.677 564 G HA3 -0.107 3.855 3.960 0.003 0.000 0.677 564 G C -0.834 174.198 174.900 0.220 0.000 1.429 564 G CA -0.667 44.663 45.100 0.383 0.000 0.868 564 G HN 0.602 nan 8.290 nan 0.000 0.553 565 E N -0.495 119.790 120.200 0.142 0.000 2.345 565 E HA 0.461 4.813 4.350 0.003 0.000 0.259 565 E C 0.554 177.196 176.600 0.070 0.000 1.117 565 E CA -0.042 56.418 56.400 0.101 0.000 0.913 565 E CB 1.089 30.832 29.700 0.072 0.000 1.057 565 E HN 0.543 nan 8.360 nan 0.000 0.432 566 S N 1.426 117.161 115.700 0.059 0.000 2.481 566 S HA 0.118 4.590 4.470 0.003 0.000 0.282 566 S C -0.117 174.499 174.600 0.027 0.000 1.243 566 S CA -0.338 57.888 58.200 0.043 0.000 1.078 566 S CB -0.277 62.946 63.200 0.039 0.000 0.916 566 S HN 0.275 nan 8.310 nan 0.000 0.495 567 L N 4.645 125.878 121.223 0.017 0.000 2.416 567 L HA 0.552 4.894 4.340 0.003 0.000 0.263 567 L C 0.131 177.002 176.870 0.002 0.000 1.065 567 L CA -1.119 53.723 54.840 0.003 0.000 0.798 567 L CB 0.690 42.744 42.059 -0.010 0.000 1.267 567 L HN 0.545 nan 8.230 nan 0.000 0.467 568 I N 0.441 121.008 120.570 -0.005 0.000 2.379 568 I HA 0.034 4.205 4.170 0.003 0.000 0.290 568 I C 0.894 177.007 176.117 -0.007 0.000 1.063 568 I CA 0.153 61.449 61.300 -0.006 0.000 1.351 568 I CB 0.939 38.933 38.000 -0.011 0.000 1.410 568 I HN 0.744 nan 8.210 nan 0.000 0.505 569 T N -0.660 113.892 114.554 -0.003 0.000 2.959 569 T HA 0.085 4.437 4.350 0.003 0.000 0.254 569 T C 0.347 175.043 174.700 -0.006 0.000 1.003 569 T CA -0.215 61.883 62.100 -0.003 0.000 0.950 569 T CB 0.155 69.025 68.868 0.003 0.000 1.090 569 T HN 0.441 nan 8.240 nan 0.000 0.503 570 D N 3.061 123.457 120.400 -0.007 0.000 2.472 570 D HA 0.335 4.976 4.640 0.003 0.000 0.234 570 D C -1.742 174.547 176.300 -0.017 0.000 1.088 570 D CA -2.691 51.303 54.000 -0.010 0.000 0.882 570 D CB 1.965 42.762 40.800 -0.005 0.000 1.037 570 D HN -0.024 nan 8.370 nan 0.000 0.520 571 P HA -0.109 nan 4.420 nan 0.000 0.224 571 P C 0.369 177.646 177.300 -0.039 0.000 1.142 571 P CA 0.581 63.658 63.100 -0.039 0.000 0.778 571 P CB 0.372 32.042 31.700 -0.049 0.000 0.764 572 N N -0.762 117.923 118.700 -0.026 0.000 2.295 572 N HA 0.032 4.774 4.740 0.003 0.000 0.221 572 N C 0.821 176.325 175.510 -0.011 0.000 1.129 572 N CA 0.489 53.527 53.050 -0.019 0.000 0.836 572 N CB -0.122 38.357 38.487 -0.014 0.000 1.040 572 N HN 0.247 nan 8.380 nan 0.000 0.494 573 T N -2.265 112.282 114.554 -0.012 0.000 3.060 573 T HA 0.302 4.654 4.350 0.003 0.000 0.249 573 T C 0.915 175.608 174.700 -0.012 0.000 1.079 573 T CA 0.017 62.113 62.100 -0.007 0.000 1.013 573 T CB 0.614 69.478 68.868 -0.006 0.000 0.975 573 T HN 0.019 nan 8.240 nan 0.000 0.518 574 I N 3.277 123.833 120.570 -0.024 0.000 2.315 574 I HA 0.285 4.457 4.170 0.003 0.000 0.291 574 I C 0.296 176.397 176.117 -0.026 0.000 1.006 574 I CA -0.529 60.746 61.300 -0.041 0.000 1.265 574 I CB 1.325 39.289 38.000 -0.059 0.000 1.387 574 I HN 0.117 nan 8.210 nan 0.000 0.475 575 T N 5.125 119.669 114.554 -0.017 0.000 2.788 575 T HA 0.499 4.851 4.350 0.003 0.000 0.296 575 T C -2.508 172.207 174.700 0.025 0.000 1.009 575 T CA -2.190 59.932 62.100 0.038 0.000 0.949 575 T CB 1.215 70.140 68.868 0.096 0.000 0.946 575 T HN 0.147 nan 8.240 nan 0.000 0.453 576 P HA 0.182 nan 4.420 nan 0.000 0.268 576 P C -0.921 176.477 177.300 0.163 0.000 1.205 576 P CA -0.329 62.801 63.100 0.050 0.000 0.771 576 P CB 0.136 31.961 31.700 0.208 0.000 0.858 577 Y N 1.262 121.427 120.300 -0.226 0.000 2.323 577 Y HA 0.292 4.843 4.550 0.003 0.000 0.331 577 Y C 0.902 176.770 175.900 -0.054 0.000 1.092 577 Y CA -1.143 56.845 58.100 -0.187 0.000 1.150 577 Y CB 0.442 38.684 38.460 -0.364 0.000 1.200 577 Y HN 0.275 nan 8.280 nan 0.000 0.472 578 N N 3.092 121.863 118.700 0.117 0.000 2.514 578 N HA 0.329 5.071 4.740 0.003 0.000 0.277 578 N C -0.661 174.884 175.510 0.059 0.000 1.126 578 N CA -0.193 52.876 53.050 0.032 0.000 0.978 578 N CB 0.959 39.425 38.487 -0.035 0.000 1.106 578 N HN 0.464 nan 8.380 nan 0.000 0.461 579 I N 1.715 122.276 120.570 -0.014 0.000 2.330 579 I HA 0.143 4.315 4.170 0.003 0.000 0.286 579 I C -0.066 175.969 176.117 -0.138 0.000 1.025 579 I CA -0.842 60.420 61.300 -0.064 0.000 1.197 579 I CB 0.798 38.722 38.000 -0.126 0.000 1.358 579 I HN 0.174 nan 8.210 nan 0.000 0.467 580 D N 5.164 125.492 120.400 -0.120 0.000 2.449 580 D HA 0.167 4.809 4.640 0.003 0.000 0.236 580 D C 0.424 176.639 176.300 -0.142 0.000 1.149 580 D CA 0.173 54.096 54.000 -0.128 0.000 0.878 580 D CB 1.134 41.873 40.800 -0.102 0.000 1.198 580 D HN 0.575 nan 8.370 nan 0.000 0.446 581 A N 2.873 125.614 122.820 -0.132 0.000 2.406 581 A HA 0.333 4.655 4.320 0.003 0.000 0.243 581 A C -2.025 175.495 177.584 -0.107 0.000 1.082 581 A CA -0.935 51.032 52.037 -0.116 0.000 0.786 581 A CB -0.424 18.528 19.000 -0.080 0.000 1.029 581 A HN 0.341 nan 8.150 nan 0.000 0.495 582 P HA 0.020 nan 4.420 nan 0.000 0.262 582 P C -0.596 176.641 177.300 -0.104 0.000 1.182 582 P CA 0.117 63.143 63.100 -0.122 0.000 0.761 582 P CB 0.356 31.981 31.700 -0.126 0.000 0.795 583 D N 2.486 122.820 120.400 -0.109 0.000 2.371 583 D HA -0.050 4.592 4.640 0.003 0.000 0.256 583 D C 1.191 177.443 176.300 -0.081 0.000 1.193 583 D CA 0.021 53.973 54.000 -0.080 0.000 0.881 583 D CB 0.709 41.467 40.800 -0.070 0.000 1.143 583 D HN 0.487 nan 8.370 nan 0.000 0.473 584 E N 3.044 123.212 120.200 -0.054 0.000 2.118 584 E HA -0.217 4.135 4.350 0.003 0.000 0.195 584 E C 0.425 177.006 176.600 -0.031 0.000 0.992 584 E CA 1.492 57.866 56.400 -0.042 0.000 0.804 584 E CB 0.177 29.863 29.700 -0.025 0.000 0.741 584 E HN 0.428 nan 8.360 nan 0.000 0.458 585 D N -0.216 120.172 120.400 -0.021 0.000 2.346 585 D HA 0.008 4.650 4.640 0.003 0.000 0.206 585 D C 0.145 176.452 176.300 0.011 0.000 1.001 585 D CA 0.422 54.422 54.000 -0.001 0.000 0.871 585 D CB 0.097 40.899 40.800 0.003 0.000 0.943 585 D HN 0.243 nan 8.370 nan 0.000 0.518 586 N N 0.552 119.246 118.700 -0.011 0.000 2.824 586 N HA 0.053 4.795 4.740 0.003 0.000 0.224 586 N C -2.436 173.028 175.510 -0.076 0.000 1.418 586 N CA -0.893 52.163 53.050 0.011 0.000 0.743 586 N CB 1.580 40.092 38.487 0.041 0.000 1.395 586 N HN -0.261 nan 8.380 nan 0.000 0.548 587 P HA 0.004 nan 4.420 nan 0.000 0.237 587 P C 0.173 177.160 177.300 -0.521 0.000 1.178 587 P CA 0.780 63.611 63.100 -0.449 0.000 0.766 587 P CB -0.084 31.237 31.700 -0.632 0.000 0.876 588 Y N -0.174 120.132 120.300 0.009 0.000 2.478 588 Y HA 0.422 4.974 4.550 0.003 0.000 0.261 588 Y C 1.553 177.480 175.900 0.047 0.000 1.127 588 Y CA -0.509 57.605 58.100 0.024 0.000 1.288 588 Y CB -0.787 37.687 38.460 0.024 0.000 1.084 588 Y HN -0.156 nan 8.280 nan 0.000 0.530 589 A N 1.312 124.216 122.820 0.140 0.000 2.520 589 A HA 0.068 4.389 4.320 0.003 0.000 0.245 589 A C -0.325 177.334 177.584 0.124 0.000 1.072 589 A CA -0.467 51.649 52.037 0.131 0.000 0.761 589 A CB -0.615 18.437 19.000 0.088 0.000 1.004 589 A HN 0.381 nan 8.150 nan 0.000 0.499 590 F N 3.530 123.498 119.950 0.031 0.000 2.608 590 F HA 0.237 4.766 4.527 0.003 0.000 0.380 590 F C 1.006 176.811 175.800 0.009 0.000 1.083 590 F CA 0.684 58.696 58.000 0.020 0.000 1.266 590 F CB 0.454 39.467 39.000 0.022 0.000 1.076 590 F HN 0.597 nan 8.300 nan 0.000 0.574 591 R N 7.833 127.940 120.500 -0.654 0.000 2.451 591 R HA 0.298 4.640 4.340 0.003 0.000 0.307 591 R C -0.795 175.074 176.300 -0.718 0.000 0.965 591 R CA -0.788 55.031 56.100 -0.469 0.000 0.865 591 R CB 1.167 31.298 30.300 -0.282 0.000 1.174 591 R HN 0.907 nan 8.270 nan 0.000 0.455 592 R N 4.466 124.722 120.500 -0.408 0.000 2.582 592 R HA 0.345 4.687 4.340 0.003 0.000 0.271 592 R C -0.488 175.744 176.300 -0.115 0.000 1.078 592 R CA -0.126 55.840 56.100 -0.224 0.000 1.127 592 R CB 0.617 30.953 30.300 0.060 0.000 1.038 592 R HN 0.570 nan 8.270 nan 0.000 0.500 593 I N 2.847 123.405 120.570 -0.020 0.000 2.498 593 I HA 0.233 4.405 4.170 0.003 0.000 0.290 593 I C -0.192 176.019 176.117 0.156 0.000 1.032 593 I CA -0.876 60.473 61.300 0.081 0.000 1.073 593 I CB 2.109 40.175 38.000 0.111 0.000 1.251 593 I HN 0.544 nan 8.210 nan 0.000 0.426 594 K N 4.694 125.196 120.400 0.171 0.000 2.401 594 K HA 0.067 4.389 4.320 0.003 0.000 0.278 594 K C -0.344 176.495 176.600 0.399 0.000 1.018 594 K CA -0.086 56.286 56.287 0.141 0.000 0.981 594 K CB 0.557 32.923 32.500 -0.223 0.000 0.933 594 K HN 0.498 nan 8.250 nan 0.000 0.477 595 D N 1.820 122.399 120.400 0.298 0.000 2.312 595 D HA 0.165 4.807 4.640 0.003 0.000 0.248 595 D C 0.594 177.123 176.300 0.381 0.000 1.086 595 D CA 1.024 55.217 54.000 0.322 0.000 0.948 595 D CB 1.208 42.117 40.800 0.182 0.000 1.162 595 D HN 0.857 nan 8.370 nan 0.000 0.446 596 G N 1.526 110.513 108.800 0.312 0.000 2.143 596 G HA2 -0.186 3.775 3.960 0.003 0.000 0.248 596 G HA3 -0.186 3.775 3.960 0.003 0.000 0.248 596 G C 0.639 175.574 174.900 0.058 0.000 0.991 596 G CA 0.089 45.305 45.100 0.194 0.000 0.689 596 G HN 0.718 nan 8.290 nan 0.000 0.522 597 G N -0.968 107.782 108.800 -0.083 0.000 2.483 597 G HA2 0.457 4.419 3.960 0.003 0.000 0.248 597 G HA3 0.457 4.419 3.960 0.003 0.000 0.248 597 G C 0.752 175.380 174.900 -0.453 0.000 1.248 597 G CA 0.269 44.788 45.100 -0.968 0.000 0.838 597 G HN 0.454 nan 8.290 nan 0.000 0.566 598 Q N -0.659 118.860 119.800 -0.469 0.000 2.378 598 Q HA 0.163 4.505 4.340 0.003 0.000 0.205 598 Q C -0.002 175.926 176.000 -0.121 0.000 0.954 598 Q CA 0.394 56.082 55.803 -0.192 0.000 0.901 598 Q CB 0.213 28.859 28.738 -0.153 0.000 0.981 598 Q HN 0.319 nan 8.270 nan 0.000 0.483 599 L N -0.742 120.323 121.223 -0.263 0.000 2.592 599 L HA 0.357 4.699 4.340 0.003 0.000 0.258 599 L C -2.051 174.696 176.870 -0.204 0.000 0.926 599 L CA -0.654 54.150 54.840 -0.061 0.000 0.885 599 L CB 1.438 43.484 42.059 -0.021 0.000 1.380 599 L HN -0.128 nan 8.230 nan 0.000 0.415 600 Y N 4.142 124.547 120.300 0.174 0.000 2.429 600 Y HA 0.709 5.261 4.550 0.003 0.000 0.342 600 Y C -0.666 175.263 175.900 0.049 0.000 1.004 600 Y CA -0.652 57.538 58.100 0.149 0.000 1.075 600 Y CB 2.158 40.741 38.460 0.204 0.000 1.214 600 Y HN 0.539 nan 8.280 nan 0.000 0.455 601 L N 4.356 125.598 121.223 0.032 0.000 2.298 601 L HA 0.471 4.813 4.340 0.003 0.000 0.284 601 L C -0.694 176.007 176.870 -0.281 0.000 1.013 601 L CA -0.658 53.972 54.840 -0.350 0.000 0.824 601 L CB 0.692 42.458 42.059 -0.489 0.000 1.221 601 L HN 0.603 nan 8.230 nan 0.000 0.418 602 N N 4.858 123.396 118.700 -0.270 0.000 2.402 602 N HA 0.102 4.844 4.740 0.003 0.000 0.259 602 N C 0.662 175.938 175.510 -0.390 0.000 1.167 602 N CA 0.180 53.074 53.050 -0.260 0.000 0.949 602 N CB 0.377 38.790 38.487 -0.124 0.000 1.212 602 N HN 0.816 nan 8.380 nan 0.000 0.493 603 L N 2.119 123.078 121.223 -0.439 0.000 2.465 603 L HA -0.020 4.322 4.340 0.003 0.000 0.224 603 L C 2.022 178.682 176.870 -0.350 0.000 1.145 603 L CA 0.452 54.898 54.840 -0.657 0.000 0.834 603 L CB -0.165 41.607 42.059 -0.479 0.000 0.944 603 L HN 0.636 nan 8.230 nan 0.000 0.451 604 E N 1.847 121.926 120.200 -0.202 0.000 2.058 604 E HA -0.243 4.109 4.350 0.003 0.000 0.194 604 E C 1.047 177.649 176.600 0.002 0.000 0.997 604 E CA 1.821 58.169 56.400 -0.086 0.000 0.801 604 E CB 0.192 29.836 29.700 -0.093 0.000 0.746 604 E HN 0.627 nan 8.360 nan 0.000 0.450 605 N N -1.764 116.938 118.700 0.003 0.000 2.184 605 N HA -0.042 4.700 4.740 0.003 0.000 0.234 605 N C -0.934 174.681 175.510 0.175 0.000 1.282 605 N CA -0.349 52.758 53.050 0.095 0.000 0.877 605 N CB -0.348 38.173 38.487 0.056 0.000 1.184 605 N HN 0.125 nan 8.380 nan 0.000 0.510 606 Y N -0.001 120.253 120.300 -0.077 0.000 3.037 606 Y HA -0.265 4.287 4.550 0.003 0.000 0.204 606 Y C -0.412 175.406 175.900 -0.136 0.000 1.275 606 Y CA 0.795 58.814 58.100 -0.134 0.000 1.066 606 Y CB -2.360 36.056 38.460 -0.073 0.000 1.305 606 Y HN 0.097 nan 8.280 nan 0.000 0.499 607 T N -0.508 113.991 114.554 -0.092 0.000 2.888 607 T HA 0.632 4.984 4.350 0.003 0.000 0.284 607 T C -0.565 173.952 174.700 -0.304 0.000 1.017 607 T CA -0.648 61.420 62.100 -0.054 0.000 1.022 607 T CB 1.138 70.068 68.868 0.104 0.000 1.013 607 T HN 0.065 nan 8.240 nan 0.000 0.465 608 Y N 1.011 121.096 120.300 -0.359 0.000 2.387 608 Y HA 0.619 5.171 4.550 0.003 0.000 0.336 608 Y C -0.572 174.930 175.900 -0.664 0.000 1.067 608 Y CA -0.712 57.186 58.100 -0.337 0.000 1.114 608 Y CB 1.272 39.580 38.460 -0.253 0.000 1.208 608 Y HN 0.579 nan 8.280 nan 0.000 0.458 609 Y N 0.172 120.562 120.300 0.150 0.000 2.553 609 Y HA 0.697 5.249 4.550 0.003 0.000 0.347 609 Y C -0.369 175.720 175.900 0.316 0.000 1.019 609 Y CA -1.549 56.667 58.100 0.193 0.000 1.032 609 Y CB 1.778 40.344 38.460 0.177 0.000 1.284 609 Y HN 0.637 nan 8.280 nan 0.000 0.466 610 A N 2.227 125.304 122.820 0.427 0.000 2.301 610 A HA 0.618 4.939 4.320 0.003 0.000 0.312 610 A C -1.251 176.581 177.584 0.414 0.000 1.182 610 A CA -0.569 51.690 52.037 0.369 0.000 0.826 610 A CB 0.610 19.706 19.000 0.160 0.000 1.134 610 A HN 0.691 nan 8.150 nan 0.000 0.501 611 L N 2.753 124.155 121.223 0.298 0.000 2.319 611 L HA 0.321 4.663 4.340 0.003 0.000 0.280 611 L C 0.698 177.493 176.870 -0.124 0.000 1.099 611 L CA 0.159 54.880 54.840 -0.198 0.000 0.828 611 L CB 0.335 42.161 42.059 -0.388 0.000 1.150 611 L HN 0.758 nan 8.230 nan 0.000 0.442 612 R N 3.520 123.896 120.500 -0.208 0.000 2.694 612 R HA 0.104 4.446 4.340 0.003 0.000 0.268 612 R C -0.064 176.168 176.300 -0.115 0.000 1.061 612 R CA -0.461 55.578 56.100 -0.101 0.000 1.133 612 R CB 0.341 30.579 30.300 -0.103 0.000 1.020 612 R HN 0.542 nan 8.270 nan 0.000 0.475 613 K N 0.839 121.197 120.400 -0.070 0.000 2.472 613 K HA -0.078 4.244 4.320 0.003 0.000 0.280 613 K C 0.820 177.359 176.600 -0.102 0.000 1.028 613 K CA 1.268 57.502 56.287 -0.087 0.000 1.045 613 K CB 0.148 32.582 32.500 -0.111 0.000 0.902 613 K HN 0.779 nan 8.250 nan 0.000 0.478 614 G N 2.070 110.812 108.800 -0.097 0.000 2.234 614 G HA2 -0.332 3.630 3.960 0.003 0.000 0.260 614 G HA3 -0.332 3.630 3.960 0.003 0.000 0.260 614 G C 0.205 175.035 174.900 -0.117 0.000 0.987 614 G CA 0.154 45.200 45.100 -0.091 0.000 0.625 614 G HN 0.948 nan 8.290 nan 0.000 0.532 615 A N 0.208 122.924 122.820 -0.172 0.000 2.386 615 A HA 0.681 5.003 4.320 0.003 0.000 0.248 615 A C 0.933 178.367 177.584 -0.250 0.000 1.082 615 A CA 1.181 53.074 52.037 -0.240 0.000 0.789 615 A CB 0.600 19.376 19.000 -0.373 0.000 1.025 615 A HN 1.693 nan 8.150 nan 0.000 0.490 616 S N 0.100 115.665 115.700 -0.225 0.000 2.548 616 S HA 0.242 4.714 4.470 0.003 0.000 0.277 616 S C 1.570 176.025 174.600 -0.242 0.000 1.315 616 S CA 0.114 58.214 58.200 -0.167 0.000 1.050 616 S CB 0.288 63.432 63.200 -0.093 0.000 0.918 616 S HN 1.170 nan 8.310 nan 0.000 0.497 617 T N 3.088 117.548 114.554 -0.157 0.000 3.051 617 T HA 0.014 4.366 4.350 0.003 0.000 0.269 617 T C 1.337 176.059 174.700 0.036 0.000 1.127 617 T CA 0.414 62.444 62.100 -0.116 0.000 1.107 617 T CB -0.174 68.686 68.868 -0.014 0.000 0.898 617 T HN 0.560 nan 8.240 nan 0.000 0.517 618 R N 1.621 122.136 120.500 0.025 0.000 2.313 618 R HA 0.304 4.646 4.340 0.003 0.000 0.199 618 R C 0.773 177.121 176.300 0.080 0.000 0.958 618 R CA -0.093 56.048 56.100 0.069 0.000 1.047 618 R CB -0.672 29.681 30.300 0.088 0.000 0.955 618 R HN 0.388 nan 8.270 nan 0.000 0.481 619 S N 1.839 117.573 115.700 0.056 0.000 2.558 619 S HA -0.051 4.420 4.470 0.003 0.000 0.288 619 S C 0.449 175.210 174.600 0.268 0.000 1.318 619 S CA -0.144 58.105 58.200 0.082 0.000 1.056 619 S CB 0.887 64.010 63.200 -0.128 0.000 0.853 619 S HN 0.216 nan 8.310 nan 0.000 0.505 620 E N 1.798 122.086 120.200 0.147 0.000 2.529 620 E HA -0.001 4.351 4.350 0.003 0.000 0.259 620 E C -0.614 176.058 176.600 0.120 0.000 0.966 620 E CA -0.060 56.396 56.400 0.092 0.000 0.937 620 E CB 0.311 30.034 29.700 0.038 0.000 0.923 620 E HN 0.418 nan 8.360 nan 0.000 0.468 621 L N 6.252 127.403 121.223 -0.120 0.000 2.395 621 L HA 0.264 4.606 4.340 0.003 0.000 0.269 621 L C -1.944 174.768 176.870 -0.263 0.000 1.133 621 L CA -2.014 52.552 54.840 -0.456 0.000 0.812 621 L CB 0.617 42.293 42.059 -0.640 0.000 1.125 621 L HN 0.531 nan 8.230 nan 0.000 0.452 622 P HA -0.005 nan 4.420 nan 0.000 0.265 622 P C -0.195 177.049 177.300 -0.095 0.000 1.187 622 P CA 0.125 63.153 63.100 -0.120 0.000 0.766 622 P CB 0.494 32.166 31.700 -0.047 0.000 0.820 623 K N 1.119 121.487 120.400 -0.053 0.000 2.167 623 K HA 0.031 4.353 4.320 0.003 0.000 0.203 623 K C 0.315 176.898 176.600 -0.029 0.000 1.052 623 K CA 0.955 57.216 56.287 -0.044 0.000 0.956 623 K CB -0.020 32.460 32.500 -0.034 0.000 0.735 623 K HN 0.513 nan 8.250 nan 0.000 0.451 624 N N 0.823 119.509 118.700 -0.023 0.000 2.361 624 N HA 0.127 4.868 4.740 0.003 0.000 0.302 624 N C -0.896 174.595 175.510 -0.031 0.000 1.074 624 N CA -0.228 52.806 53.050 -0.026 0.000 0.850 624 N CB 1.792 40.257 38.487 -0.037 0.000 1.228 624 N HN -0.150 nan 8.380 nan 0.000 0.491 625 S N 0.219 115.898 115.700 -0.036 0.000 2.573 625 S HA 0.207 4.678 4.470 0.003 0.000 0.297 625 S C 1.456 175.893 174.600 -0.272 0.000 1.280 625 S CA 0.888 59.041 58.200 -0.077 0.000 1.061 625 S CB 0.109 63.286 63.200 -0.038 0.000 0.812 625 S HN 0.887 nan 8.310 nan 0.000 0.500 626 G N 1.836 110.217 108.800 -0.698 0.000 2.179 626 G HA2 -0.206 3.755 3.960 0.003 0.000 0.260 626 G HA3 -0.206 3.755 3.960 0.003 0.000 0.260 626 G C -0.150 174.302 174.900 -0.746 0.000 0.977 626 G CA 0.069 44.374 45.100 -1.324 0.000 0.641 626 G HN 0.655 nan 8.290 nan 0.000 0.533 627 E N 0.446 120.460 120.200 -0.310 0.000 2.222 627 E HA 0.649 5.000 4.350 0.003 0.000 0.272 627 E C -0.264 176.412 176.600 0.126 0.000 0.982 627 E CA -0.236 56.123 56.400 -0.068 0.000 0.842 627 E CB 1.752 31.433 29.700 -0.031 0.000 1.144 627 E HN 0.206 nan 8.360 nan 0.000 0.397 628 S N 1.178 116.962 115.700 0.140 0.000 2.689 628 S HA 0.537 5.008 4.470 0.003 0.000 0.306 628 S C -0.149 174.525 174.600 0.124 0.000 1.104 628 S CA -0.865 57.464 58.200 0.214 0.000 0.973 628 S CB 1.220 64.542 63.200 0.204 0.000 1.121 628 S HN 0.672 nan 8.310 nan 0.000 0.523 629 N N -0.193 118.585 118.700 0.130 0.000 3.387 629 N HA 0.206 4.948 4.740 0.003 0.000 0.322 629 N C 0.110 175.651 175.510 0.051 0.000 1.588 629 N CA -0.799 52.296 53.050 0.076 0.000 0.778 629 N CB -0.255 38.273 38.487 0.069 0.000 1.883 629 N HN 0.621 nan 8.380 nan 0.000 0.628 630 E N -0.999 119.210 120.200 0.015 0.000 2.409 630 E HA -0.036 4.316 4.350 0.003 0.000 0.198 630 E C 0.105 176.664 176.600 -0.068 0.000 1.024 630 E CA 1.250 57.638 56.400 -0.020 0.000 0.861 630 E CB -0.518 29.165 29.700 -0.027 0.000 0.788 630 E HN 0.610 nan 8.360 nan 0.000 0.521 631 N N -1.221 117.419 118.700 -0.101 0.000 2.332 631 N HA 0.151 4.892 4.740 0.003 0.000 0.190 631 N C -0.924 174.327 175.510 -0.432 0.000 1.117 631 N CA -0.136 52.724 53.050 -0.317 0.000 0.883 631 N CB 0.482 38.696 38.487 -0.454 0.000 1.089 631 N HN 0.084 nan 8.380 nan 0.000 0.480 632 W N 1.119 122.380 121.300 -0.066 0.000 2.739 632 W HA 0.529 5.191 4.660 0.003 0.000 0.331 632 W C -1.193 175.382 176.519 0.094 0.000 1.049 632 W CA -0.794 56.527 57.345 -0.040 0.000 1.234 632 W CB 1.240 30.549 29.460 -0.252 0.000 1.404 632 W HN -0.232 nan 8.180 nan 0.000 0.477 633 L N 4.705 126.175 121.223 0.412 0.000 2.287 633 L HA 0.422 4.764 4.340 0.003 0.000 0.287 633 L C -0.589 176.512 176.870 0.385 0.000 1.022 633 L CA -1.132 53.877 54.840 0.282 0.000 0.814 633 L CB 0.038 42.101 42.059 0.007 0.000 1.217 633 L HN 0.416 nan 8.230 nan 0.000 0.420 634 Y N 5.621 126.056 120.300 0.225 0.000 2.620 634 Y HA 0.075 4.626 4.550 0.003 0.000 0.330 634 Y C 0.719 176.547 175.900 -0.120 0.000 1.186 634 Y CA 0.521 58.580 58.100 -0.069 0.000 1.467 634 Y CB 0.730 39.174 38.460 -0.027 0.000 1.262 634 Y HN 0.674 nan 8.280 nan 0.000 0.550 635 M N 4.439 123.560 119.600 -0.799 0.000 2.338 635 M HA 0.332 4.814 4.480 0.003 0.000 0.276 635 M C 0.601 176.450 176.300 -0.751 0.000 1.057 635 M CA 0.898 55.858 55.300 -0.567 0.000 1.079 635 M CB 0.132 32.568 32.600 -0.273 0.000 1.547 635 M HN 0.874 nan 8.290 nan 0.000 0.549 636 G N 0.505 108.540 108.800 -1.275 0.000 2.369 636 G HA2 0.055 4.017 3.960 0.003 0.000 0.293 636 G HA3 0.055 4.017 3.960 0.003 0.000 0.293 636 G C -0.519 174.241 174.900 -0.234 0.000 1.301 636 G CA -0.567 44.087 45.100 -0.743 0.000 0.913 636 G HN 0.052 nan 8.290 nan 0.000 0.540 637 K N -0.734 119.685 120.400 0.031 0.000 2.402 637 K HA 0.411 4.733 4.320 0.003 0.000 0.203 637 K C 0.801 177.519 176.600 0.198 0.000 1.077 637 K CA 0.981 57.380 56.287 0.187 0.000 1.051 637 K CB 0.693 33.307 32.500 0.191 0.000 0.907 637 K HN 0.946 nan 8.250 nan 0.000 0.554 638 T N -3.797 110.811 114.554 0.089 0.000 2.907 638 T HA 0.228 4.580 4.350 0.003 0.000 0.292 638 T C 0.753 175.331 174.700 -0.204 0.000 1.043 638 T CA -0.646 61.484 62.100 0.050 0.000 1.003 638 T CB 1.616 70.483 68.868 -0.001 0.000 1.084 638 T HN -0.150 nan 8.240 nan 0.000 0.483 639 S N 0.618 116.212 115.700 -0.177 0.000 2.370 639 S HA -0.149 4.322 4.470 0.003 0.000 0.226 639 S C 1.377 175.767 174.600 -0.350 0.000 1.033 639 S CA 1.864 59.799 58.200 -0.442 0.000 1.011 639 S CB -0.798 62.347 63.200 -0.091 0.000 0.852 639 S HN 0.763 nan 8.310 nan 0.000 0.457 640 D N 0.914 121.202 120.400 -0.187 0.000 2.117 640 D HA -0.080 4.562 4.640 0.003 0.000 0.198 640 D C 2.003 178.207 176.300 -0.161 0.000 0.982 640 D CA 1.047 54.961 54.000 -0.142 0.000 0.828 640 D CB -0.564 40.187 40.800 -0.081 0.000 0.967 640 D HN 0.632 nan 8.370 nan 0.000 0.464 641 E N 0.634 120.735 120.200 -0.165 0.000 2.038 641 E HA -0.196 4.156 4.350 0.003 0.000 0.195 641 E C 1.971 178.438 176.600 -0.222 0.000 1.000 641 E CA 1.201 57.508 56.400 -0.155 0.000 0.803 641 E CB 0.011 29.636 29.700 -0.125 0.000 0.750 641 E HN 0.151 nan 8.360 nan 0.000 0.448 642 A N 1.293 123.898 122.820 -0.358 0.000 1.902 642 A HA -0.191 4.131 4.320 0.003 0.000 0.217 642 A C 2.061 179.462 177.584 -0.304 0.000 1.181 642 A CA 1.692 53.476 52.037 -0.421 0.000 0.623 642 A CB -0.355 18.170 19.000 -0.792 0.000 0.818 642 A HN 0.169 nan 8.150 nan 0.000 0.443 643 K N -0.536 119.684 120.400 -0.300 0.000 2.057 643 K HA -0.126 4.196 4.320 0.003 0.000 0.207 643 K C 2.302 178.831 176.600 -0.118 0.000 1.049 643 K CA 1.445 57.624 56.287 -0.180 0.000 0.931 643 K CB -0.214 32.194 32.500 -0.155 0.000 0.714 643 K HN 0.392 nan 8.250 nan 0.000 0.440 644 R N 0.748 121.180 120.500 -0.114 0.000 2.081 644 R HA -0.075 4.266 4.340 0.003 0.000 0.235 644 R C 2.043 178.307 176.300 -0.060 0.000 1.131 644 R CA 1.286 57.342 56.100 -0.073 0.000 0.960 644 R CB -0.341 29.920 30.300 -0.065 0.000 0.856 644 R HN 0.222 nan 8.270 nan 0.000 0.436 645 N N 0.438 119.088 118.700 -0.084 0.000 2.120 645 N HA -0.134 4.608 4.740 0.003 0.000 0.188 645 N C 1.776 177.275 175.510 -0.019 0.000 1.024 645 N CA 0.919 53.932 53.050 -0.061 0.000 0.852 645 N CB -0.355 38.064 38.487 -0.113 0.000 1.003 645 N HN 0.027 nan 8.380 nan 0.000 0.424 646 V N 1.376 121.266 119.914 -0.039 0.000 2.591 646 V HA -0.062 4.059 4.120 0.003 0.000 0.249 646 V C 2.099 178.215 176.094 0.037 0.000 1.053 646 V CA 0.929 63.241 62.300 0.021 0.000 1.068 646 V CB -0.209 31.612 31.823 -0.003 0.000 0.689 646 V HN 0.221 nan 8.190 nan 0.000 0.462 647 M N -0.020 119.577 119.600 -0.005 0.000 2.108 647 M HA -0.193 4.288 4.480 0.003 0.000 0.261 647 M C 2.092 178.395 176.300 0.005 0.000 1.066 647 M CA 2.478 57.774 55.300 -0.006 0.000 1.107 647 M CB -0.891 31.696 32.600 -0.021 0.000 1.356 647 M HN 0.447 nan 8.290 nan 0.000 0.406 648 N N -0.033 118.675 118.700 0.013 0.000 2.084 648 N HA -0.220 4.521 4.740 0.003 0.000 0.190 648 N C 1.639 177.170 175.510 0.035 0.000 1.030 648 N CA 1.777 54.838 53.050 0.018 0.000 0.849 648 N CB -0.193 38.307 38.487 0.022 0.000 1.012 648 N HN 0.341 nan 8.380 nan 0.000 0.423 649 H N -0.046 119.012 119.070 -0.020 0.000 2.293 649 H HA 0.036 4.594 4.556 0.003 0.000 0.300 649 H C 1.976 177.297 175.328 -0.013 0.000 1.082 649 H CA 2.096 58.136 56.048 -0.012 0.000 1.308 649 H CB -0.403 29.356 29.762 -0.005 0.000 1.375 649 H HN 0.260 nan 8.280 nan 0.000 0.495 650 I N 0.321 120.856 120.570 -0.058 0.000 2.151 650 I HA -0.347 3.824 4.170 0.003 0.000 0.243 650 I C 2.064 178.118 176.117 -0.104 0.000 1.080 650 I CA 1.469 62.711 61.300 -0.096 0.000 1.339 650 I CB -0.355 37.635 38.000 -0.017 0.000 1.039 650 I HN 0.381 nan 8.210 nan 0.000 0.409 651 N N 0.949 119.609 118.700 -0.066 0.000 2.084 651 N HA -0.153 4.588 4.740 0.003 0.000 0.190 651 N C 1.582 177.048 175.510 -0.073 0.000 1.030 651 N CA 1.276 54.293 53.050 -0.055 0.000 0.849 651 N CB -0.659 37.806 38.487 -0.037 0.000 1.012 651 N HN 0.347 nan 8.380 nan 0.000 0.423 652 N N 1.375 120.020 118.700 -0.091 0.000 2.166 652 N HA -0.101 4.641 4.740 0.003 0.000 0.186 652 N C 1.292 176.733 175.510 -0.114 0.000 1.019 652 N CA 0.663 53.658 53.050 -0.091 0.000 0.856 652 N CB -0.220 38.222 38.487 -0.074 0.000 0.993 652 N HN 0.304 nan 8.380 nan 0.000 0.426 653 E N 0.677 120.756 120.200 -0.201 0.000 2.265 653 E HA -0.085 4.266 4.350 0.003 0.000 0.196 653 E C 1.288 177.865 176.600 -0.039 0.000 0.996 653 E CA 0.529 56.820 56.400 -0.182 0.000 0.832 653 E CB -0.035 29.477 29.700 -0.313 0.000 0.756 653 E HN 0.431 nan 8.360 nan 0.000 0.491 654 R N -0.238 120.249 120.500 -0.022 0.000 2.317 654 R HA 0.213 4.555 4.340 0.003 0.000 0.208 654 R C 1.132 177.436 176.300 0.007 0.000 0.914 654 R CA -0.290 55.834 56.100 0.040 0.000 1.060 654 R CB 0.064 30.369 30.300 0.010 0.000 1.015 654 R HN 0.112 nan 8.270 nan 0.000 0.498 655 M N 1.478 121.071 119.600 -0.011 0.000 2.251 655 M HA -0.050 4.432 4.480 0.003 0.000 0.343 655 M C -0.209 176.066 176.300 -0.041 0.000 1.245 655 M CA 0.938 56.218 55.300 -0.033 0.000 1.061 655 M CB 0.403 32.983 32.600 -0.033 0.000 1.723 655 M HN -0.007 nan 8.290 nan 0.000 0.449 656 N N 1.933 120.593 118.700 -0.066 0.000 2.701 656 N HA 0.813 5.555 4.740 0.003 0.000 0.290 656 N C -1.277 174.269 175.510 0.060 0.000 1.338 656 N CA -0.309 52.669 53.050 -0.121 0.000 0.799 656 N CB 2.296 40.510 38.487 -0.454 0.000 1.491 656 N HN 0.804 nan 8.380 nan 0.000 0.540 657 G N -0.602 108.298 108.800 0.167 0.000 2.690 657 G HA2 0.519 4.481 3.960 0.003 0.000 0.293 657 G HA3 0.519 4.481 3.960 0.003 0.000 0.293 657 G C -2.048 173.108 174.900 0.427 0.000 1.399 657 G CA -0.402 44.862 45.100 0.274 0.000 0.890 657 G HN 0.303 nan 8.290 nan 0.000 0.485 658 F N 1.224 121.285 119.950 0.185 0.000 2.402 658 F HA 0.480 5.009 4.527 0.003 0.000 0.355 658 F C 0.542 176.305 175.800 -0.062 0.000 1.123 658 F CA -1.508 56.516 58.000 0.039 0.000 1.021 658 F CB 1.947 40.946 39.000 -0.002 0.000 1.160 658 F HN 0.301 nan 8.300 nan 0.000 0.451 659 N N 2.875 121.198 118.700 -0.628 0.000 2.412 659 N HA 0.155 4.897 4.740 0.003 0.000 0.184 659 N C 0.922 175.858 175.510 -0.955 0.000 1.101 659 N CA 0.514 53.208 53.050 -0.593 0.000 0.881 659 N CB 0.334 38.594 38.487 -0.378 0.000 0.969 659 N HN 0.720 nan 8.380 nan 0.000 0.459 660 G N -1.166 106.552 108.800 -1.805 0.000 2.695 660 G HA2 0.434 4.396 3.960 0.003 0.000 0.213 660 G HA3 0.434 4.396 3.960 0.003 0.000 0.213 660 G C -1.115 173.085 174.900 -1.167 0.000 1.406 660 G CA -0.259 43.953 45.100 -1.480 0.000 1.049 660 G HN 0.075 nan 8.290 nan 0.000 0.573 661 Y N -1.511 118.502 120.300 -0.479 0.000 2.446 661 Y HA 0.571 5.123 4.550 0.003 0.000 0.345 661 Y C -0.866 174.925 175.900 -0.183 0.000 0.984 661 Y CA -0.539 57.431 58.100 -0.216 0.000 1.058 661 Y CB 2.382 40.740 38.460 -0.170 0.000 1.220 661 Y HN 0.234 nan 8.280 nan 0.000 0.455 662 F N 1.498 121.624 119.950 0.295 0.000 2.427 662 F HA 0.696 5.225 4.527 0.003 0.000 0.346 662 F C 0.638 176.521 175.800 0.138 0.000 1.120 662 F CA -0.682 57.418 58.000 0.168 0.000 1.033 662 F CB 1.526 40.600 39.000 0.123 0.000 1.126 662 F HN 0.653 nan 8.300 nan 0.000 0.462 663 G N 2.114 111.076 108.800 0.269 0.000 2.619 663 G HA2 -0.072 3.890 3.960 0.003 0.000 0.686 663 G HA3 -0.072 3.890 3.960 0.003 0.000 0.686 663 G C -1.045 173.918 174.900 0.104 0.000 1.256 663 G CA -1.181 44.018 45.100 0.165 0.000 0.826 663 G HN 0.496 nan 8.290 nan 0.000 0.619 664 E N 0.484 120.733 120.200 0.082 0.000 2.369 664 E HA 0.287 4.639 4.350 0.003 0.000 0.255 664 E C 0.997 177.595 176.600 -0.003 0.000 1.172 664 E CA -0.229 56.205 56.400 0.057 0.000 0.932 664 E CB 0.492 30.254 29.700 0.103 0.000 1.040 664 E HN 0.545 nan 8.360 nan 0.000 0.454 665 E N 1.305 121.476 120.200 -0.049 0.000 2.392 665 E HA -0.015 4.336 4.350 0.003 0.000 0.264 665 E C -0.086 176.486 176.600 -0.045 0.000 1.024 665 E CA -0.086 56.259 56.400 -0.091 0.000 0.903 665 E CB 0.535 30.166 29.700 -0.116 0.000 0.963 665 E HN 0.198 nan 8.360 nan 0.000 0.432 666 E N 0.656 120.828 120.200 -0.047 0.000 2.529 666 E HA -0.070 4.282 4.350 0.003 0.000 0.259 666 E C 0.837 177.419 176.600 -0.030 0.000 0.966 666 E CA 1.189 57.573 56.400 -0.027 0.000 0.937 666 E CB 0.857 30.540 29.700 -0.028 0.000 0.923 666 E HN 0.863 nan 8.360 nan 0.000 0.468 667 G N 3.637 112.424 108.800 -0.020 0.000 2.213 667 G HA2 -0.250 3.712 3.960 0.003 0.000 0.236 667 G HA3 -0.250 3.712 3.960 0.003 0.000 0.236 667 G C 0.384 175.269 174.900 -0.025 0.000 0.991 667 G CA 0.375 45.461 45.100 -0.023 0.000 0.629 667 G HN 0.454 nan 8.290 nan 0.000 0.517 668 K N -0.144 120.244 120.400 -0.021 0.000 2.267 668 K HA 0.468 4.790 4.320 0.003 0.000 0.236 668 K C -0.203 176.390 176.600 -0.011 0.000 1.030 668 K CA -0.829 55.443 56.287 -0.025 0.000 0.930 668 K CB 0.504 32.996 32.500 -0.014 0.000 1.182 668 K HN 0.049 nan 8.250 nan 0.000 0.474 669 N N 1.838 120.515 118.700 -0.039 0.000 2.466 669 N HA -0.045 4.697 4.740 0.003 0.000 0.263 669 N C -0.957 174.617 175.510 0.107 0.000 1.178 669 N CA 0.101 53.144 53.050 -0.013 0.000 0.983 669 N CB -0.364 38.046 38.487 -0.127 0.000 1.331 669 N HN 0.378 nan 8.380 nan 0.000 0.500 670 N N 2.220 120.968 118.700 0.080 0.000 3.083 670 N HA 0.273 5.015 4.740 0.003 0.000 0.260 670 N C 0.146 175.708 175.510 0.086 0.000 1.163 670 N CA -0.369 52.739 53.050 0.097 0.000 1.060 670 N CB 0.097 38.624 38.487 0.066 0.000 1.345 670 N HN 0.544 nan 8.380 nan 0.000 0.515 671 G N 1.424 110.290 108.800 0.109 0.000 2.664 671 G HA2 -0.023 3.939 3.960 0.003 0.000 0.242 671 G HA3 -0.023 3.939 3.960 0.003 0.000 0.242 671 G C -0.021 174.913 174.900 0.057 0.000 1.225 671 G CA -0.539 44.608 45.100 0.078 0.000 0.849 671 G HN 0.658 nan 8.290 nan 0.000 0.581 672 N N -0.905 117.819 118.700 0.041 0.000 2.454 672 N HA 0.323 5.065 4.740 0.003 0.000 0.260 672 N C -0.548 174.976 175.510 0.024 0.000 1.218 672 N CA -0.028 53.039 53.050 0.029 0.000 0.904 672 N CB 0.865 39.364 38.487 0.019 0.000 1.065 672 N HN 0.309 nan 8.380 nan 0.000 0.462 673 L N 2.650 123.884 121.223 0.020 0.000 2.505 673 L HA 0.469 4.811 4.340 0.003 0.000 0.266 673 L C -1.654 175.202 176.870 -0.023 0.000 0.954 673 L CA -0.586 54.258 54.840 0.007 0.000 0.852 673 L CB 1.718 43.798 42.059 0.036 0.000 1.282 673 L HN 0.505 nan 8.230 nan 0.000 0.403 674 N N 3.435 122.100 118.700 -0.059 0.000 2.319 674 N HA 0.725 5.467 4.740 0.003 0.000 0.305 674 N C -1.432 173.963 175.510 -0.192 0.000 1.103 674 N CA -0.400 52.593 53.050 -0.096 0.000 0.815 674 N CB 2.843 41.285 38.487 -0.076 0.000 1.288 674 N HN 0.354 nan 8.380 nan 0.000 0.493 675 V N 1.059 120.811 119.914 -0.269 0.000 2.531 675 V HA 0.456 4.578 4.120 0.003 0.000 0.301 675 V C -0.323 175.534 176.094 -0.395 0.000 1.034 675 V CA -0.480 61.530 62.300 -0.483 0.000 0.865 675 V CB 1.886 33.201 31.823 -0.846 0.000 0.995 675 V HN 0.623 nan 8.190 nan 0.000 0.424 676 T N 5.328 119.612 114.554 -0.450 0.000 2.809 676 T HA 0.585 4.937 4.350 0.003 0.000 0.284 676 T C -0.701 173.696 174.700 -0.506 0.000 0.992 676 T CA -0.145 61.769 62.100 -0.310 0.000 0.957 676 T CB 0.638 69.398 68.868 -0.180 0.000 0.942 676 T HN 0.288 nan 8.240 nan 0.000 0.439 677 F N 3.219 122.996 119.950 -0.289 0.000 2.390 677 F HA 0.425 4.954 4.527 0.003 0.000 0.361 677 F C 1.009 176.694 175.800 -0.193 0.000 1.124 677 F CA -0.530 57.204 58.000 -0.444 0.000 1.149 677 F CB 0.826 39.438 39.000 -0.646 0.000 1.160 677 F HN 0.151 nan 8.300 nan 0.000 0.501 678 K N 3.513 123.916 120.400 0.005 0.000 2.646 678 K HA 0.315 4.636 4.320 0.003 0.000 0.210 678 K C 0.023 176.753 176.600 0.216 0.000 1.020 678 K CA -0.354 55.996 56.287 0.105 0.000 1.040 678 K CB 0.945 33.467 32.500 0.037 0.000 1.253 678 K HN 0.801 nan 8.250 nan 0.000 0.532 679 G N 2.459 111.482 108.800 0.372 0.000 2.414 679 G HA2 -0.076 3.886 3.960 0.003 0.000 0.236 679 G HA3 -0.076 3.886 3.960 0.003 0.000 0.236 679 G C 0.702 175.724 174.900 0.203 0.000 1.293 679 G CA -0.180 45.158 45.100 0.396 0.000 0.869 679 G HN 0.644 nan 8.290 nan 0.000 0.556 680 K N 0.093 120.596 120.400 0.171 0.000 2.160 680 K HA -0.079 4.243 4.320 0.003 0.000 0.206 680 K C 1.424 178.069 176.600 0.076 0.000 1.047 680 K CA 1.520 57.869 56.287 0.104 0.000 0.930 680 K CB -0.006 32.548 32.500 0.090 0.000 0.720 680 K HN 0.423 nan 8.250 nan 0.000 0.450 681 S N -0.921 114.822 115.700 0.072 0.000 2.627 681 S HA 0.154 4.626 4.470 0.003 0.000 0.283 681 S C 0.232 174.861 174.600 0.049 0.000 1.127 681 S CA -0.756 57.472 58.200 0.047 0.000 0.863 681 S CB 1.933 65.148 63.200 0.026 0.000 1.121 681 S HN 0.065 nan 8.310 nan 0.000 0.479 682 E N 1.095 121.318 120.200 0.038 0.000 2.409 682 E HA -0.035 4.317 4.350 0.003 0.000 0.198 682 E C 1.416 178.022 176.600 0.011 0.000 1.024 682 E CA 1.403 57.823 56.400 0.034 0.000 0.861 682 E CB -0.086 29.631 29.700 0.028 0.000 0.788 682 E HN 0.683 nan 8.360 nan 0.000 0.521 683 Q N -0.437 119.362 119.800 -0.002 0.000 2.425 683 Q HA 0.084 4.426 4.340 0.003 0.000 0.204 683 Q C -0.160 175.798 176.000 -0.069 0.000 0.933 683 Q CA -0.108 55.682 55.803 -0.022 0.000 0.939 683 Q CB 0.073 28.802 28.738 -0.016 0.000 1.044 683 Q HN 0.212 nan 8.270 nan 0.000 0.513 684 N N 1.609 120.248 118.700 -0.101 0.000 2.458 684 N HA 0.064 4.806 4.740 0.003 0.000 0.258 684 N C -0.775 174.459 175.510 -0.460 0.000 1.219 684 N CA 0.496 53.377 53.050 -0.282 0.000 0.902 684 N CB 0.544 38.857 38.487 -0.289 0.000 1.076 684 N HN 0.028 nan 8.380 nan 0.000 0.455 685 R N 1.483 121.663 120.500 -0.532 0.000 2.670 685 R HA 0.530 4.872 4.340 0.003 0.000 0.289 685 R C -1.174 174.816 176.300 -0.516 0.000 0.965 685 R CA -0.631 55.258 56.100 -0.350 0.000 0.899 685 R CB 1.285 31.591 30.300 0.011 0.000 1.173 685 R HN 0.392 nan 8.270 nan 0.000 0.456 686 F N 2.061 122.106 119.950 0.157 0.000 2.563 686 F HA 0.559 5.088 4.527 0.003 0.000 0.316 686 F C -0.696 175.204 175.800 0.166 0.000 1.076 686 F CA -1.143 56.935 58.000 0.130 0.000 0.921 686 F CB 1.730 40.696 39.000 -0.056 0.000 1.209 686 F HN 0.199 nan 8.300 nan 0.000 0.462 687 L N 3.811 125.256 121.223 0.370 0.000 2.438 687 L HA 0.705 5.047 4.340 0.003 0.000 0.270 687 L C -1.938 175.091 176.870 0.264 0.000 0.972 687 L CA -0.451 54.556 54.840 0.278 0.000 0.831 687 L CB 1.734 43.904 42.059 0.184 0.000 1.273 687 L HN 0.559 nan 8.230 nan 0.000 0.405 688 L N 4.551 125.898 121.223 0.206 0.000 2.356 688 L HA 0.586 4.928 4.340 0.003 0.000 0.277 688 L C 0.367 177.373 176.870 0.228 0.000 0.996 688 L CA -0.195 54.800 54.840 0.258 0.000 0.822 688 L CB 2.015 44.270 42.059 0.328 0.000 1.256 688 L HN 0.805 nan 8.230 nan 0.000 0.413 689 T N -2.617 112.003 114.554 0.111 0.000 3.170 689 T HA 0.228 4.580 4.350 0.003 0.000 0.288 689 T C 0.828 175.447 174.700 -0.134 0.000 0.992 689 T CA 0.262 62.392 62.100 0.049 0.000 0.909 689 T CB 0.805 69.639 68.868 -0.058 0.000 1.133 689 T HN 0.612 nan 8.240 nan 0.000 0.530 690 G N 1.211 109.830 108.800 -0.301 0.000 2.548 690 G HA2 0.672 4.634 3.960 0.003 0.000 0.221 690 G HA3 0.672 4.634 3.960 0.003 0.000 0.221 690 G C 0.499 174.860 174.900 -0.897 0.000 1.796 690 G CA 0.065 44.681 45.100 -0.806 0.000 0.889 690 G HN 0.945 nan 8.290 nan 0.000 0.599 691 G N -1.949 106.338 108.800 -0.856 0.000 2.368 691 G HA2 0.572 4.534 3.960 0.003 0.000 0.293 691 G HA3 0.572 4.534 3.960 0.003 0.000 0.293 691 G C -1.100 173.758 174.900 -0.070 0.000 1.467 691 G CA 0.367 45.057 45.100 -0.684 0.000 0.804 691 G HN 1.107 nan 8.290 nan 0.000 0.535 692 T N -1.789 112.796 114.554 0.052 0.000 2.909 692 T HA 0.684 5.036 4.350 0.003 0.000 0.299 692 T C -0.666 174.153 174.700 0.199 0.000 1.073 692 T CA -0.851 61.429 62.100 0.300 0.000 0.999 692 T CB 2.223 71.360 68.868 0.448 0.000 1.098 692 T HN 0.749 nan 8.240 nan 0.000 0.477 693 N N 2.827 121.646 118.700 0.199 0.000 2.752 693 N HA 0.259 5.001 4.740 0.003 0.000 0.260 693 N C -1.110 174.479 175.510 0.130 0.000 1.562 693 N CA -0.417 52.711 53.050 0.129 0.000 0.788 693 N CB 0.531 39.068 38.487 0.083 0.000 1.192 693 N HN 0.572 nan 8.380 nan 0.000 0.503 694 L N 2.136 123.441 121.223 0.136 0.000 2.260 694 L HA 0.229 4.571 4.340 0.003 0.000 0.289 694 L C 0.530 177.445 176.870 0.074 0.000 1.057 694 L CA -0.577 54.328 54.840 0.109 0.000 0.811 694 L CB 0.851 42.968 42.059 0.096 0.000 1.184 694 L HN 0.386 nan 8.230 nan 0.000 0.429 695 N N 3.394 122.131 118.700 0.062 0.000 3.050 695 N HA 0.368 5.109 4.740 0.003 0.000 0.289 695 N C -0.130 175.400 175.510 0.033 0.000 1.209 695 N CA 0.279 53.357 53.050 0.046 0.000 1.154 695 N CB 0.212 38.726 38.487 0.045 0.000 1.444 695 N HN 0.835 nan 8.380 nan 0.000 0.529 696 G N 0.639 109.457 108.800 0.030 0.000 2.344 696 G HA2 0.055 4.016 3.960 0.003 0.000 0.282 696 G HA3 0.055 4.016 3.960 0.003 0.000 0.282 696 G C -2.055 172.852 174.900 0.012 0.000 1.281 696 G CA -0.736 44.372 45.100 0.014 0.000 0.877 696 G HN 0.283 nan 8.290 nan 0.000 0.494 697 D N 0.198 120.594 120.400 -0.007 0.000 2.256 697 D HA 0.557 5.199 4.640 0.003 0.000 0.246 697 D C -0.530 175.756 176.300 -0.024 0.000 1.042 697 D CA -0.233 53.763 54.000 -0.007 0.000 0.841 697 D CB 2.403 43.196 40.800 -0.012 0.000 1.223 697 D HN 0.446 nan 8.370 nan 0.000 0.470 698 L N 1.970 123.193 121.223 -0.000 0.000 2.265 698 L HA 0.381 4.723 4.340 0.003 0.000 0.289 698 L C -0.568 176.313 176.870 0.018 0.000 1.033 698 L CA -0.433 54.409 54.840 0.004 0.000 0.814 698 L CB 0.358 42.449 42.059 0.052 0.000 1.203 698 L HN 0.095 nan 8.230 nan 0.000 0.423 699 K N 4.220 124.628 120.400 0.014 0.000 2.207 699 K HA 0.596 4.917 4.320 0.003 0.000 0.255 699 K C -1.361 175.286 176.600 0.079 0.000 0.941 699 K CA -0.797 55.504 56.287 0.023 0.000 0.825 699 K CB 2.674 35.168 32.500 -0.010 0.000 1.119 699 K HN 0.322 nan 8.250 nan 0.000 0.430 700 V N 3.091 123.039 119.914 0.057 0.000 2.350 700 V HA 0.162 4.284 4.120 0.003 0.000 0.285 700 V C 0.305 176.433 176.094 0.057 0.000 1.014 700 V CA -0.463 61.882 62.300 0.075 0.000 0.831 700 V CB 1.081 32.911 31.823 0.012 0.000 1.000 700 V HN 0.864 nan 8.190 nan 0.000 0.433 701 E N 2.808 123.051 120.200 0.073 0.000 2.340 701 E HA 0.218 4.570 4.350 0.003 0.000 0.198 701 E C 0.493 177.137 176.600 0.073 0.000 0.961 701 E CA 0.146 56.579 56.400 0.055 0.000 0.905 701 E CB 0.960 30.683 29.700 0.038 0.000 0.884 701 E HN 0.562 nan 8.360 nan 0.000 0.491 702 K N -0.303 120.170 120.400 0.121 0.000 2.570 702 K HA 0.415 4.737 4.320 0.003 0.000 0.256 702 K C -0.806 175.924 176.600 0.217 0.000 0.939 702 K CA 0.161 56.526 56.287 0.131 0.000 0.833 702 K CB 1.600 34.169 32.500 0.116 0.000 1.318 702 K HN 0.184 nan 8.250 nan 0.000 0.433 703 G N 1.123 110.014 108.800 0.153 0.000 2.483 703 G HA2 -0.100 3.862 3.960 0.003 0.000 0.521 703 G HA3 -0.100 3.862 3.960 0.003 0.000 0.521 703 G C -1.282 173.673 174.900 0.092 0.000 1.278 703 G CA -0.645 44.545 45.100 0.150 0.000 0.965 703 G HN 0.506 nan 8.290 nan 0.000 0.504 704 T N 0.602 115.168 114.554 0.020 0.000 2.809 704 T HA 0.562 4.914 4.350 0.003 0.000 0.284 704 T C -0.585 174.023 174.700 -0.154 0.000 0.992 704 T CA -0.294 61.727 62.100 -0.131 0.000 0.957 704 T CB 1.581 70.320 68.868 -0.214 0.000 0.942 704 T HN 1.124 nan 8.240 nan 0.000 0.439 705 L N 4.275 125.343 121.223 -0.258 0.000 2.296 705 L HA 0.705 5.047 4.340 0.003 0.000 0.286 705 L C -1.621 174.987 176.870 -0.437 0.000 1.023 705 L CA -0.603 54.064 54.840 -0.289 0.000 0.812 705 L CB 0.196 41.995 42.059 -0.434 0.000 1.223 705 L HN 0.498 nan 8.230 nan 0.000 0.421 706 F N 5.687 125.615 119.950 -0.036 0.000 2.427 706 F HA 0.529 5.058 4.527 0.003 0.000 0.346 706 F C -0.216 175.528 175.800 -0.093 0.000 1.120 706 F CA -0.522 57.467 58.000 -0.018 0.000 1.033 706 F CB 1.208 40.205 39.000 -0.005 0.000 1.126 706 F HN 0.238 nan 8.300 nan 0.000 0.462 707 L N 2.870 124.089 121.223 -0.006 0.000 2.309 707 L HA 0.713 5.055 4.340 0.003 0.000 0.282 707 L C 0.024 176.900 176.870 0.009 0.000 1.036 707 L CA -0.504 54.197 54.840 -0.232 0.000 0.806 707 L CB 1.752 43.416 42.059 -0.659 0.000 1.220 707 L HN 0.641 nan 8.230 nan 0.000 0.429 708 S N 0.802 116.580 115.700 0.130 0.000 2.547 708 S HA 0.698 5.170 4.470 0.003 0.000 0.270 708 S C -0.232 174.520 174.600 0.253 0.000 1.150 708 S CA -0.228 58.087 58.200 0.192 0.000 0.850 708 S CB 1.697 65.000 63.200 0.172 0.000 1.118 708 S HN 0.782 nan 8.310 nan 0.000 0.461 709 G N 1.491 110.428 108.800 0.228 0.000 2.516 709 G HA2 0.653 4.615 3.960 0.003 0.000 0.276 709 G HA3 0.653 4.615 3.960 0.003 0.000 0.276 709 G C -0.504 174.491 174.900 0.158 0.000 1.390 709 G CA -0.499 44.724 45.100 0.206 0.000 1.050 709 G HN 0.994 nan 8.290 nan 0.000 0.519 710 R N -1.710 118.752 120.500 -0.064 0.000 2.739 710 R HA 0.526 4.868 4.340 0.003 0.000 0.271 710 R C -3.240 172.488 176.300 -0.953 0.000 1.010 710 R CA -1.802 53.938 56.100 -0.601 0.000 0.897 710 R CB 1.207 31.267 30.300 -0.400 0.000 1.236 710 R HN 0.210 nan 8.270 nan 0.000 0.466 711 P HA 0.019 nan 4.420 nan 0.000 0.266 711 P C -0.495 176.478 177.300 -0.545 0.000 1.195 711 P CA 0.102 62.447 63.100 -1.257 0.000 0.768 711 P CB 0.522 31.657 31.700 -0.941 0.000 0.838 712 T N 5.592 119.955 114.554 -0.318 0.000 2.908 712 T HA 0.095 4.447 4.350 0.003 0.000 0.301 712 T C -2.044 172.426 174.700 -0.384 0.000 1.019 712 T CA -0.379 61.552 62.100 -0.281 0.000 1.152 712 T CB -0.678 68.063 68.868 -0.212 0.000 0.966 712 T HN 0.320 nan 8.240 nan 0.000 0.540 713 P HA 0.170 nan 4.420 nan 0.000 0.268 713 P C -0.375 176.639 177.300 -0.476 0.000 1.205 713 P CA 0.057 62.983 63.100 -0.289 0.000 0.771 713 P CB 0.460 32.053 31.700 -0.179 0.000 0.858 714 H N 0.005 119.055 119.070 -0.034 0.000 2.895 714 H HA 0.499 5.057 4.556 0.003 0.000 0.373 714 H C -0.287 175.036 175.328 -0.009 0.000 1.174 714 H CA -0.823 55.222 56.048 -0.005 0.000 1.144 714 H CB 2.187 31.949 29.762 -0.000 0.000 1.793 714 H HN 0.417 nan 8.280 nan 0.000 0.551 715 A N 2.600 125.500 122.820 0.133 0.000 2.477 715 A HA 0.202 4.524 4.320 0.003 0.000 0.246 715 A C 0.495 178.079 177.584 0.000 0.000 1.078 715 A CA -0.316 51.744 52.037 0.039 0.000 0.770 715 A CB 0.020 19.034 19.000 0.024 0.000 1.011 715 A HN 0.655 nan 8.150 nan 0.000 0.494 716 R N 1.145 121.610 120.500 -0.059 0.000 2.585 716 R HA 0.006 4.348 4.340 0.003 0.000 0.275 716 R C -0.517 175.716 176.300 -0.112 0.000 1.018 716 R CA 0.130 56.179 56.100 -0.085 0.000 1.072 716 R CB 0.321 30.527 30.300 -0.156 0.000 0.953 716 R HN 0.724 nan 8.270 nan 0.000 0.419 717 D N 3.665 124.017 120.400 -0.080 0.000 2.845 717 D HA 0.055 4.697 4.640 0.003 0.000 0.235 717 D C 0.833 177.064 176.300 -0.114 0.000 1.158 717 D CA 0.043 53.988 54.000 -0.091 0.000 0.990 717 D CB -0.109 40.669 40.800 -0.037 0.000 1.094 717 D HN 0.470 nan 8.370 nan 0.000 0.486 718 I N 0.649 121.108 120.570 -0.186 0.000 2.286 718 I HA -0.248 3.924 4.170 0.003 0.000 0.248 718 I C 2.245 178.314 176.117 -0.080 0.000 1.115 718 I CA 1.045 62.278 61.300 -0.111 0.000 1.392 718 I CB -0.015 37.954 38.000 -0.052 0.000 1.065 718 I HN 0.292 nan 8.210 nan 0.000 0.418 719 A N 0.274 122.989 122.820 -0.175 0.000 2.066 719 A HA 0.152 4.474 4.320 0.003 0.000 0.218 719 A C 1.930 179.463 177.584 -0.084 0.000 1.157 719 A CA 0.945 52.937 52.037 -0.076 0.000 0.670 719 A CB -0.779 18.159 19.000 -0.103 0.000 0.804 719 A HN 0.580 nan 8.150 nan 0.000 0.453 720 G N -0.326 108.427 108.800 -0.078 0.000 2.198 720 G HA2 -0.270 3.692 3.960 0.003 0.000 0.257 720 G HA3 -0.270 3.692 3.960 0.003 0.000 0.257 720 G C 0.545 175.405 174.900 -0.066 0.000 1.042 720 G CA 0.677 45.743 45.100 -0.057 0.000 0.791 720 G HN 1.445 nan 8.290 nan 0.000 0.502 721 I N -2.762 117.758 120.570 -0.083 0.000 4.338 721 I HA 0.531 4.703 4.170 0.003 0.000 0.329 721 I C 0.966 177.077 176.117 -0.009 0.000 1.378 721 I CA 0.238 61.481 61.300 -0.096 0.000 1.170 721 I CB 0.627 38.485 38.000 -0.237 0.000 1.206 721 I HN 0.186 nan 8.210 nan 0.000 0.432 722 S N 1.220 116.945 115.700 0.042 0.000 2.558 722 S HA 0.079 4.551 4.470 0.003 0.000 0.293 722 S C 1.081 175.709 174.600 0.047 0.000 1.292 722 S CA 0.324 58.575 58.200 0.085 0.000 1.063 722 S CB 0.605 63.835 63.200 0.051 0.000 0.831 722 S HN 0.468 nan 8.310 nan 0.000 0.499 723 S N 2.987 118.724 115.700 0.062 0.000 2.575 723 S HA 0.109 4.581 4.470 0.003 0.000 0.215 723 S C 0.502 175.111 174.600 0.016 0.000 0.966 723 S CA -0.159 58.063 58.200 0.038 0.000 0.911 723 S CB 0.144 63.376 63.200 0.053 0.000 0.780 723 S HN 0.791 nan 8.310 nan 0.000 0.514 724 T N 3.143 117.697 114.554 0.001 0.000 2.870 724 T HA 0.106 4.457 4.350 0.003 0.000 0.300 724 T C 0.085 174.770 174.700 -0.025 0.000 0.989 724 T CA 0.013 62.092 62.100 -0.035 0.000 1.139 724 T CB 0.552 69.359 68.868 -0.103 0.000 0.920 724 T HN 0.140 nan 8.240 nan 0.000 0.537 725 K N 3.792 124.184 120.400 -0.014 0.000 2.378 725 K HA 0.099 4.421 4.320 0.003 0.000 0.288 725 K C -0.120 176.491 176.600 0.019 0.000 1.057 725 K CA 0.005 56.296 56.287 0.006 0.000 0.971 725 K CB 0.276 32.787 32.500 0.017 0.000 0.975 725 K HN 0.470 nan 8.250 nan 0.000 0.475 726 K N 2.898 123.314 120.400 0.027 0.000 2.143 726 K HA 0.062 4.383 4.320 0.003 0.000 0.272 726 K C -0.502 176.151 176.600 0.088 0.000 1.001 726 K CA -0.736 55.584 56.287 0.054 0.000 0.915 726 K CB 0.936 33.460 32.500 0.039 0.000 1.047 726 K HN 0.532 nan 8.250 nan 0.000 0.458 727 D N 2.692 123.190 120.400 0.163 0.000 2.338 727 D HA -0.020 4.621 4.640 0.003 0.000 0.255 727 D C 0.632 176.997 176.300 0.108 0.000 1.237 727 D CA 0.233 54.355 54.000 0.204 0.000 0.883 727 D CB 1.020 42.076 40.800 0.426 0.000 1.087 727 D HN 0.335 nan 8.370 nan 0.000 0.485 728 Q N 2.514 122.292 119.800 -0.037 0.000 2.437 728 Q HA -0.126 4.215 4.340 0.003 0.000 0.210 728 Q C 1.082 176.919 176.000 -0.272 0.000 0.972 728 Q CA 0.860 56.578 55.803 -0.142 0.000 0.903 728 Q CB -0.202 28.428 28.738 -0.180 0.000 0.967 728 Q HN 0.685 nan 8.270 nan 0.000 0.486 729 H N -1.394 117.470 119.070 -0.343 0.000 2.491 729 H HA -0.047 4.511 4.556 0.003 0.000 0.290 729 H C -0.002 174.886 175.328 -0.734 0.000 1.050 729 H CA 0.778 56.404 56.048 -0.702 0.000 1.309 729 H CB 0.153 29.155 29.762 -1.266 0.000 1.392 729 H HN 0.092 nan 8.280 nan 0.000 0.554 730 F N -1.088 118.958 119.950 0.159 0.000 2.623 730 F HA 0.489 5.018 4.527 0.003 0.000 0.361 730 F C 0.518 176.363 175.800 0.074 0.000 1.469 730 F CA -0.450 57.618 58.000 0.114 0.000 1.126 730 F CB 0.565 39.643 39.000 0.129 0.000 1.221 730 F HN 0.041 nan 8.300 nan 0.000 0.536 731 A N -0.980 121.931 122.820 0.151 0.000 2.571 731 A HA 0.282 4.604 4.320 0.003 0.000 0.274 731 A C 0.644 178.275 177.584 0.077 0.000 1.196 731 A CA -0.258 51.839 52.037 0.101 0.000 0.957 731 A CB -0.120 18.908 19.000 0.048 0.000 1.150 731 A HN 0.309 nan 8.150 nan 0.000 0.539 732 E N 0.548 120.801 120.200 0.089 0.000 2.436 732 E HA 0.069 4.421 4.350 0.003 0.000 0.262 732 E C -0.197 176.462 176.600 0.099 0.000 1.063 732 E CA 0.237 56.682 56.400 0.075 0.000 0.944 732 E CB 0.020 29.765 29.700 0.074 0.000 0.950 732 E HN 0.532 nan 8.360 nan 0.000 0.444 733 N N 2.127 120.886 118.700 0.098 0.000 2.725 733 N HA -0.238 4.503 4.740 0.003 0.000 0.249 733 N C -0.761 174.798 175.510 0.082 0.000 1.103 733 N CA 0.385 53.520 53.050 0.142 0.000 0.707 733 N CB -0.888 37.779 38.487 0.300 0.000 1.043 733 N HN 0.568 nan 8.380 nan 0.000 0.553 734 N N -1.015 117.714 118.700 0.048 0.000 2.693 734 N HA -0.185 4.556 4.740 0.003 0.000 0.249 734 N C -0.757 174.763 175.510 0.017 0.000 1.119 734 N CA 1.420 54.480 53.050 0.016 0.000 0.717 734 N CB -0.793 37.686 38.487 -0.014 0.000 1.071 734 N HN 0.669 nan 8.380 nan 0.000 0.555 735 E N -0.005 120.227 120.200 0.053 0.000 2.392 735 E HA 0.237 4.589 4.350 0.003 0.000 0.264 735 E C 0.044 176.687 176.600 0.072 0.000 1.024 735 E CA 0.038 56.476 56.400 0.063 0.000 0.903 735 E CB 1.101 30.861 29.700 0.100 0.000 0.963 735 E HN -0.053 nan 8.360 nan 0.000 0.432 736 V N 4.288 124.245 119.914 0.073 0.000 2.313 736 V HA 0.203 4.325 4.120 0.003 0.000 0.278 736 V C -0.435 175.732 176.094 0.121 0.000 1.017 736 V CA -0.608 61.737 62.300 0.075 0.000 0.823 736 V CB 1.297 33.145 31.823 0.042 0.000 1.010 736 V HN 0.352 nan 8.190 nan 0.000 0.443 737 V N 5.831 125.829 119.914 0.141 0.000 2.448 737 V HA 0.493 4.615 4.120 0.003 0.000 0.295 737 V C -0.227 175.996 176.094 0.214 0.000 1.025 737 V CA -0.608 61.794 62.300 0.170 0.000 0.859 737 V CB 2.264 34.210 31.823 0.205 0.000 0.988 737 V HN 0.554 nan 8.190 nan 0.000 0.431 738 V N 4.947 124.998 119.914 0.228 0.000 2.370 738 V HA 0.250 4.372 4.120 0.003 0.000 0.283 738 V C 1.236 177.541 176.094 0.352 0.000 1.023 738 V CA -0.338 62.090 62.300 0.214 0.000 0.857 738 V CB 1.440 33.335 31.823 0.120 0.000 0.985 738 V HN 1.078 nan 8.190 nan 0.000 0.443 739 E N 2.970 123.348 120.200 0.296 0.000 2.268 739 E HA -0.204 4.148 4.350 0.003 0.000 0.195 739 E C 0.568 177.274 176.600 0.177 0.000 0.995 739 E CA 1.431 58.000 56.400 0.282 0.000 0.836 739 E CB 0.054 29.862 29.700 0.180 0.000 0.763 739 E HN 0.823 nan 8.360 nan 0.000 0.491 740 D N 0.381 120.892 120.400 0.184 0.000 2.463 740 D HA 0.049 4.691 4.640 0.003 0.000 0.224 740 D C -0.393 176.031 176.300 0.205 0.000 1.174 740 D CA -0.284 53.803 54.000 0.145 0.000 0.829 740 D CB 0.262 41.115 40.800 0.088 0.000 0.993 740 D HN 0.039 nan 8.370 nan 0.000 0.497 741 D N 0.248 120.848 120.400 0.332 0.000 2.552 741 D HA 0.169 4.811 4.640 0.003 0.000 0.285 741 D C -1.472 175.054 176.300 0.375 0.000 1.206 741 D CA -0.370 53.807 54.000 0.295 0.000 0.826 741 D CB -0.114 40.837 40.800 0.253 0.000 1.179 741 D HN -0.052 nan 8.370 nan 0.000 0.508 742 W N 1.448 122.760 121.300 0.020 0.000 2.655 742 W HA 0.576 5.237 4.660 0.003 0.000 0.358 742 W C 0.223 176.723 176.519 -0.032 0.000 1.100 742 W CA -0.831 56.497 57.345 -0.029 0.000 1.195 742 W CB 0.926 30.344 29.460 -0.070 0.000 1.403 742 W HN 0.013 nan 8.180 nan 0.000 0.589 743 I N 2.399 123.044 120.570 0.123 0.000 2.359 743 I HA 0.173 4.345 4.170 0.003 0.000 0.294 743 I C -0.085 176.079 176.117 0.078 0.000 0.987 743 I CA -0.676 60.652 61.300 0.047 0.000 1.225 743 I CB 0.675 38.645 38.000 -0.050 0.000 1.366 743 I HN 0.293 nan 8.210 nan 0.000 0.466 744 N N 6.082 124.823 118.700 0.068 0.000 2.520 744 N HA 0.321 5.062 4.740 0.003 0.000 0.273 744 N C -0.634 174.891 175.510 0.025 0.000 1.155 744 N CA -0.579 52.511 53.050 0.066 0.000 0.967 744 N CB 0.739 39.269 38.487 0.072 0.000 1.092 744 N HN 0.355 nan 8.380 nan 0.000 0.457 745 R N 1.483 121.998 120.500 0.025 0.000 2.854 745 R HA 0.464 4.806 4.340 0.003 0.000 0.271 745 R C -0.909 175.323 176.300 -0.114 0.000 0.996 745 R CA -0.877 55.169 56.100 -0.089 0.000 0.961 745 R CB 1.057 31.279 30.300 -0.130 0.000 1.182 745 R HN 0.672 nan 8.270 nan 0.000 0.479 746 N N 0.219 118.721 118.700 -0.330 0.000 2.238 746 N HA 0.529 5.271 4.740 0.003 0.000 0.302 746 N C -1.498 173.692 175.510 -0.535 0.000 1.072 746 N CA -0.430 52.489 53.050 -0.218 0.000 0.792 746 N CB 1.792 40.230 38.487 -0.083 0.000 1.425 746 N HN 0.233 nan 8.380 nan 0.000 0.478 747 F N 1.198 121.207 119.950 0.099 0.000 2.496 747 F HA 0.419 4.947 4.527 0.002 0.000 0.341 747 F C 0.044 175.905 175.800 0.103 0.000 1.134 747 F CA -0.755 57.311 58.000 0.110 0.000 0.968 747 F CB 1.666 40.729 39.000 0.105 0.000 1.205 747 F HN 0.173 nan 8.300 nan 0.000 0.436 748 K N 2.681 123.213 120.400 0.220 0.000 2.324 748 K HA 0.945 5.267 4.320 0.003 0.000 0.253 748 K C -1.359 175.337 176.600 0.159 0.000 0.932 748 K CA -0.538 55.845 56.287 0.160 0.000 0.799 748 K CB 1.908 34.471 32.500 0.105 0.000 1.154 748 K HN 0.763 nan 8.250 nan 0.000 0.425 749 A N 1.903 124.799 122.820 0.127 0.000 2.610 749 A HA 0.369 4.690 4.320 0.003 0.000 0.291 749 A C 0.268 177.895 177.584 0.073 0.000 1.086 749 A CA -0.673 51.424 52.037 0.100 0.000 0.677 749 A CB 1.249 20.310 19.000 0.102 0.000 1.278 749 A HN 0.679 nan 8.150 nan 0.000 0.414 750 T N 1.058 115.645 114.554 0.054 0.000 2.737 750 T HA 0.049 4.401 4.350 0.003 0.000 0.265 750 T C 0.650 175.371 174.700 0.036 0.000 1.038 750 T CA 1.384 63.508 62.100 0.040 0.000 1.144 750 T CB -0.222 68.664 68.868 0.029 0.000 0.866 750 T HN 0.580 nan 8.240 nan 0.000 0.434 751 N N 0.150 118.870 118.700 0.033 0.000 2.242 751 N HA 0.486 5.228 4.740 0.003 0.000 0.292 751 N C -1.517 174.011 175.510 0.030 0.000 1.125 751 N CA -0.459 52.606 53.050 0.025 0.000 0.783 751 N CB 2.477 40.971 38.487 0.012 0.000 1.558 751 N HN 0.131 nan 8.380 nan 0.000 0.472 752 I N 1.953 122.541 120.570 0.029 0.000 2.410 752 I HA 0.308 4.480 4.170 0.003 0.000 0.286 752 I C -0.815 175.310 176.117 0.013 0.000 1.009 752 I CA -0.679 60.637 61.300 0.027 0.000 1.111 752 I CB 1.292 39.314 38.000 0.037 0.000 1.262 752 I HN 0.184 nan 8.210 nan 0.000 0.443 753 N N 6.075 124.780 118.700 0.009 0.000 2.346 753 N HA 0.516 5.257 4.740 0.003 0.000 0.289 753 N C -1.040 174.472 175.510 0.004 0.000 1.027 753 N CA -0.423 52.628 53.050 0.002 0.000 0.864 753 N CB 2.918 41.405 38.487 -0.001 0.000 1.370 753 N HN 0.137 nan 8.380 nan 0.000 0.481 754 V N 1.221 121.136 119.914 0.001 0.000 2.487 754 V HA 0.675 4.797 4.120 0.003 0.000 0.298 754 V C 0.341 176.436 176.094 0.002 0.000 1.028 754 V CA -0.570 61.730 62.300 0.000 0.000 0.860 754 V CB 1.448 33.266 31.823 -0.009 0.000 0.991 754 V HN 0.874 nan 8.190 nan 0.000 0.427 755 T N 0.850 115.409 114.554 0.008 0.000 2.831 755 T HA 0.649 5.001 4.350 0.003 0.000 0.287 755 T C 0.103 174.811 174.700 0.012 0.000 1.070 755 T CA -0.111 61.994 62.100 0.008 0.000 1.010 755 T CB 1.807 70.679 68.868 0.007 0.000 1.264 755 T HN 0.712 nan 8.240 nan 0.000 0.532 756 N N 0.453 119.159 118.700 0.012 0.000 1.222 756 N HA -0.234 4.508 4.740 0.003 0.000 0.134 756 N C -0.221 175.298 175.510 0.015 0.000 0.787 756 N CA 1.217 54.276 53.050 0.015 0.000 0.929 756 N CB -1.121 37.379 38.487 0.021 0.000 1.170 756 N HN 0.765 nan 8.380 nan 0.000 0.541 757 N N 0.960 119.671 118.700 0.019 0.000 2.251 757 N HA 0.386 5.127 4.740 0.003 0.000 0.217 757 N C -0.550 174.969 175.510 0.016 0.000 1.124 757 N CA 0.423 53.483 53.050 0.017 0.000 0.843 757 N CB 0.399 38.897 38.487 0.019 0.000 1.024 757 N HN 0.518 nan 8.380 nan 0.000 0.501 758 A N 0.221 123.052 122.820 0.018 0.000 2.346 758 A HA 0.564 4.886 4.320 0.003 0.000 0.252 758 A C 0.326 177.900 177.584 -0.017 0.000 1.089 758 A CA 0.284 52.331 52.037 0.016 0.000 0.797 758 A CB 0.403 19.421 19.000 0.030 0.000 1.047 758 A HN 0.098 nan 8.150 nan 0.000 0.494 759 T N 0.775 115.302 114.554 -0.046 0.000 2.886 759 T HA 0.549 4.900 4.350 0.003 0.000 0.292 759 T C -1.014 173.585 174.700 -0.169 0.000 1.012 759 T CA -0.212 61.823 62.100 -0.108 0.000 0.982 759 T CB 1.096 69.910 68.868 -0.089 0.000 1.018 759 T HN 0.622 nan 8.240 nan 0.000 0.451 760 L N 3.293 124.385 121.223 -0.218 0.000 2.381 760 L HA 0.677 5.019 4.340 0.003 0.000 0.274 760 L C -1.820 174.858 176.870 -0.319 0.000 0.988 760 L CA -0.796 53.903 54.840 -0.236 0.000 0.824 760 L CB 1.191 43.154 42.059 -0.161 0.000 1.263 760 L HN 0.674 nan 8.230 nan 0.000 0.410 761 Y N 2.811 122.943 120.300 -0.279 0.000 2.393 761 Y HA 0.483 5.035 4.550 0.003 0.000 0.341 761 Y C 0.046 175.906 175.900 -0.066 0.000 0.988 761 Y CA -0.174 57.845 58.100 -0.136 0.000 1.078 761 Y CB 2.388 40.786 38.460 -0.104 0.000 1.203 761 Y HN 0.504 nan 8.280 nan 0.000 0.453 762 S N 2.080 117.849 115.700 0.116 0.000 2.478 762 S HA 0.813 5.285 4.470 0.003 0.000 0.312 762 S C -0.034 174.668 174.600 0.170 0.000 1.094 762 S CA -0.189 58.062 58.200 0.085 0.000 1.081 762 S CB 0.648 63.858 63.200 0.017 0.000 1.007 762 S HN 0.951 nan 8.310 nan 0.000 0.475 763 G N 2.960 111.861 108.800 0.168 0.000 3.135 763 G HA2 0.505 4.467 3.960 0.003 0.000 0.159 763 G HA3 0.505 4.467 3.960 0.003 0.000 0.159 763 G C -0.547 174.375 174.900 0.037 0.000 1.244 763 G CA -0.995 44.219 45.100 0.190 0.000 0.965 763 G HN 0.931 nan 8.290 nan 0.000 0.599 764 R N -0.270 120.114 120.500 -0.192 0.000 2.679 764 R HA 0.189 4.531 4.340 0.003 0.000 0.268 764 R C 0.003 175.939 176.300 -0.608 0.000 1.044 764 R CA 0.430 56.033 56.100 -0.829 0.000 1.105 764 R CB 0.058 29.559 30.300 -1.331 0.000 0.989 764 R HN 0.548 nan 8.270 nan 0.000 0.447 765 N N -0.429 117.787 118.700 -0.806 0.000 2.741 765 N HA -0.149 4.592 4.740 0.003 0.000 0.250 765 N C -1.092 174.428 175.510 0.016 0.000 1.115 765 N CA 1.063 53.972 53.050 -0.235 0.000 0.724 765 N CB -0.782 37.670 38.487 -0.058 0.000 1.090 765 N HN 0.421 nan 8.380 nan 0.000 0.558 766 V N 0.818 120.768 119.914 0.059 0.000 2.368 766 V HA 0.374 4.495 4.120 0.003 0.000 0.266 766 V C 1.431 177.631 176.094 0.177 0.000 1.045 766 V CA 0.437 62.852 62.300 0.191 0.000 0.899 766 V CB 1.347 33.318 31.823 0.246 0.000 1.006 766 V HN 0.366 nan 8.190 nan 0.000 0.470 767 A N 4.733 127.647 122.820 0.157 0.000 1.935 767 A HA 0.170 4.491 4.320 0.003 0.000 0.214 767 A C 0.859 178.533 177.584 0.149 0.000 1.178 767 A CA 0.725 52.847 52.037 0.141 0.000 0.640 767 A CB 0.035 19.094 19.000 0.099 0.000 0.825 767 A HN 0.717 nan 8.150 nan 0.000 0.447 768 N N -0.940 117.855 118.700 0.158 0.000 2.324 768 N HA 0.484 5.226 4.740 0.003 0.000 0.285 768 N C -1.844 173.791 175.510 0.209 0.000 1.076 768 N CA -0.241 52.904 53.050 0.159 0.000 0.864 768 N CB 1.996 40.546 38.487 0.105 0.000 1.632 768 N HN 0.116 nan 8.380 nan 0.000 0.478 769 I N 1.428 122.124 120.570 0.209 0.000 2.410 769 I HA 0.257 4.429 4.170 0.003 0.000 0.286 769 I C -0.421 175.802 176.117 0.176 0.000 1.009 769 I CA -0.336 61.097 61.300 0.222 0.000 1.111 769 I CB 1.917 40.039 38.000 0.203 0.000 1.262 769 I HN 0.263 nan 8.210 nan 0.000 0.443 770 T N 4.056 118.704 114.554 0.157 0.000 2.912 770 T HA 0.533 4.884 4.350 0.003 0.000 0.326 770 T C -0.485 174.281 174.700 0.111 0.000 1.080 770 T CA -0.574 61.599 62.100 0.121 0.000 1.000 770 T CB 0.889 69.813 68.868 0.093 0.000 1.008 770 T HN 0.589 nan 8.240 nan 0.000 0.473 771 S N 3.216 118.977 115.700 0.101 0.000 2.680 771 S HA 0.299 4.771 4.470 0.003 0.000 0.284 771 S C -1.665 172.973 174.600 0.065 0.000 1.055 771 S CA -0.867 57.382 58.200 0.081 0.000 0.849 771 S CB 0.742 63.997 63.200 0.092 0.000 1.068 771 S HN 0.483 nan 8.310 nan 0.000 0.453 772 N N 1.641 120.367 118.700 0.043 0.000 2.503 772 N HA 0.504 5.246 4.740 0.003 0.000 0.267 772 N C -0.643 174.873 175.510 0.009 0.000 1.214 772 N CA 0.163 53.224 53.050 0.018 0.000 0.959 772 N CB 0.339 38.830 38.487 0.008 0.000 1.142 772 N HN 0.599 nan 8.380 nan 0.000 0.455 773 I N 0.626 121.181 120.570 -0.025 0.000 2.498 773 I HA 0.250 4.422 4.170 0.003 0.000 0.290 773 I C -0.370 175.704 176.117 -0.072 0.000 1.032 773 I CA -0.414 60.870 61.300 -0.027 0.000 1.073 773 I CB 2.040 40.038 38.000 -0.003 0.000 1.251 773 I HN 0.192 nan 8.210 nan 0.000 0.426 774 T N 4.825 119.353 114.554 -0.043 0.000 2.881 774 T HA 0.776 5.128 4.350 0.003 0.000 0.290 774 T C -0.770 173.910 174.700 -0.033 0.000 1.000 774 T CA -0.632 61.436 62.100 -0.053 0.000 0.978 774 T CB 1.866 70.712 68.868 -0.036 0.000 0.997 774 T HN 0.660 nan 8.240 nan 0.000 0.443 775 A N 2.384 125.180 122.820 -0.040 0.000 2.449 775 A HA 0.931 5.253 4.320 0.003 0.000 0.302 775 A C -0.188 177.385 177.584 -0.019 0.000 1.048 775 A CA -0.740 51.288 52.037 -0.015 0.000 0.708 775 A CB 1.452 20.458 19.000 0.009 0.000 1.274 775 A HN 0.964 nan 8.150 nan 0.000 0.410 776 S N 1.086 116.781 115.700 -0.010 0.000 2.794 776 S HA 0.853 5.324 4.470 0.003 0.000 0.299 776 S C -0.243 174.355 174.600 -0.002 0.000 1.179 776 S CA 0.024 58.218 58.200 -0.009 0.000 0.838 776 S CB 1.012 64.207 63.200 -0.009 0.000 1.206 776 S HN 0.885 nan 8.310 nan 0.000 0.523 777 D N 1.229 121.628 120.400 -0.001 0.000 3.955 777 D HA -0.242 4.399 4.640 0.003 0.000 0.142 777 D C 0.023 176.326 176.300 0.004 0.000 0.877 777 D CA 1.617 55.618 54.000 0.002 0.000 1.100 777 D CB -1.023 39.779 40.800 0.005 0.000 0.533 777 D HN 0.670 nan 8.370 nan 0.000 0.546 778 N N 1.427 120.131 118.700 0.007 0.000 2.389 778 N HA 0.429 5.170 4.740 0.003 0.000 0.260 778 N C -0.947 174.568 175.510 0.008 0.000 1.191 778 N CA 0.612 53.668 53.050 0.009 0.000 0.885 778 N CB 0.293 38.786 38.487 0.011 0.000 1.162 778 N HN 0.529 nan 8.380 nan 0.000 0.512 779 A N 0.597 123.420 122.820 0.006 0.000 2.445 779 A HA 0.391 4.713 4.320 0.003 0.000 0.242 779 A C -0.104 177.482 177.584 0.003 0.000 1.075 779 A CA 0.171 52.210 52.037 0.002 0.000 0.777 779 A CB 0.316 19.317 19.000 0.002 0.000 1.013 779 A HN 0.346 nan 8.150 nan 0.000 0.493 780 K N 0.877 121.270 120.400 -0.012 0.000 2.376 780 K HA 0.580 4.902 4.320 0.003 0.000 0.257 780 K C -1.515 175.055 176.600 -0.050 0.000 0.939 780 K CA -0.375 55.909 56.287 -0.006 0.000 0.809 780 K CB 2.315 34.817 32.500 0.003 0.000 1.121 780 K HN 0.326 nan 8.250 nan 0.000 0.425 781 V N 3.526 123.411 119.914 -0.049 0.000 2.447 781 V HA 0.253 4.375 4.120 0.003 0.000 0.292 781 V C -1.274 174.635 176.094 -0.307 0.000 1.021 781 V CA -0.925 61.302 62.300 -0.122 0.000 0.850 781 V CB 1.159 33.002 31.823 0.034 0.000 1.005 781 V HN 0.727 nan 8.190 nan 0.000 0.426 782 H N 4.677 123.409 119.070 -0.563 0.000 2.638 782 H HA 0.634 5.192 4.556 0.003 0.000 0.317 782 H C -0.518 174.589 175.328 -0.369 0.000 1.006 782 H CA -0.326 55.392 56.048 -0.549 0.000 1.222 782 H CB 1.329 30.636 29.762 -0.759 0.000 1.419 782 H HN 0.534 nan 8.280 nan 0.000 0.489 783 I N 2.891 123.277 120.570 -0.308 0.000 2.389 783 I HA 0.539 4.711 4.170 0.003 0.000 0.288 783 I C 0.211 176.288 176.117 -0.067 0.000 0.999 783 I CA -0.366 60.845 61.300 -0.149 0.000 1.129 783 I CB 1.567 39.477 38.000 -0.149 0.000 1.288 783 I HN 0.810 nan 8.210 nan 0.000 0.444 784 G N 4.604 113.436 108.800 0.054 0.000 2.911 784 G HA2 -0.212 3.750 3.960 0.003 0.000 0.686 784 G HA3 -0.212 3.750 3.960 0.003 0.000 0.686 784 G C -1.069 173.931 174.900 0.166 0.000 1.136 784 G CA -0.985 44.192 45.100 0.128 0.000 0.764 784 G HN 0.603 nan 8.290 nan 0.000 0.626 785 Y N 2.568 122.960 120.300 0.154 0.000 2.620 785 Y HA 0.469 5.021 4.550 0.003 0.000 0.330 785 Y C 0.801 176.788 175.900 0.146 0.000 1.186 785 Y CA 0.651 58.847 58.100 0.160 0.000 1.467 785 Y CB 0.522 39.113 38.460 0.217 0.000 1.262 785 Y HN 0.545 nan 8.280 nan 0.000 0.550 786 K N 4.874 124.805 120.400 -0.783 0.000 2.318 786 K HA 0.693 5.014 4.320 0.003 0.000 0.249 786 K C -0.812 175.215 176.600 -0.955 0.000 0.942 786 K CA -1.070 54.855 56.287 -0.604 0.000 0.808 786 K CB 1.737 34.102 32.500 -0.226 0.000 1.189 786 K HN 0.755 nan 8.250 nan 0.000 0.428 787 A N 0.901 123.487 122.820 -0.390 0.000 2.566 787 A HA 0.354 4.676 4.320 0.003 0.000 0.245 787 A C 1.187 178.697 177.584 -0.123 0.000 1.056 787 A CA 1.334 53.300 52.037 -0.118 0.000 0.757 787 A CB -0.942 18.074 19.000 0.027 0.000 0.979 787 A HN 0.985 nan 8.150 nan 0.000 0.508 788 G N 2.298 111.076 108.800 -0.037 0.000 2.195 788 G HA2 -0.190 3.771 3.960 0.003 0.000 0.246 788 G HA3 -0.190 3.771 3.960 0.003 0.000 0.246 788 G C -0.009 174.856 174.900 -0.057 0.000 0.984 788 G CA 0.299 45.384 45.100 -0.025 0.000 0.633 788 G HN 0.817 nan 8.290 nan 0.000 0.525 789 D N 1.234 121.552 120.400 -0.136 0.000 2.360 789 D HA 0.470 5.112 4.640 0.003 0.000 0.242 789 D C 0.945 177.221 176.300 -0.039 0.000 1.184 789 D CA 0.545 54.478 54.000 -0.112 0.000 0.930 789 D CB 0.521 41.244 40.800 -0.129 0.000 1.161 789 D HN 0.092 nan 8.370 nan 0.000 0.447 790 T N 0.620 115.086 114.554 -0.147 0.000 2.888 790 T HA 0.289 4.641 4.350 0.003 0.000 0.301 790 T C -0.004 174.657 174.700 -0.064 0.000 1.001 790 T CA -0.304 61.700 62.100 -0.160 0.000 1.147 790 T CB 0.431 69.092 68.868 -0.345 0.000 0.931 790 T HN -0.017 nan 8.240 nan 0.000 0.541 791 V N 3.497 123.397 119.914 -0.024 0.000 2.487 791 V HA 0.404 4.526 4.120 0.003 0.000 0.298 791 V C -0.077 176.057 176.094 0.067 0.000 1.028 791 V CA -0.853 61.468 62.300 0.035 0.000 0.860 791 V CB 1.484 33.350 31.823 0.072 0.000 0.991 791 V HN 1.041 nan 8.190 nan 0.000 0.427 792 C N 4.482 123.781 119.300 -0.001 0.000 2.507 792 C HA 0.837 5.299 4.460 0.003 0.000 0.319 792 C C -0.044 174.866 174.990 -0.132 0.000 1.208 792 C CA -0.735 58.249 59.018 -0.058 0.000 1.619 792 C CB 1.552 29.184 27.740 -0.180 0.000 2.230 792 C HN 0.638 nan 8.230 nan 0.000 0.492 793 V N 2.929 122.691 119.914 -0.253 0.000 2.577 793 V HA 0.518 4.640 4.120 0.003 0.000 0.303 793 V C -0.138 175.853 176.094 -0.172 0.000 1.042 793 V CA -0.560 61.497 62.300 -0.405 0.000 0.872 793 V CB 1.695 33.000 31.823 -0.864 0.000 0.998 793 V HN 0.852 nan 8.190 nan 0.000 0.423 794 R N 2.852 123.260 120.500 -0.152 0.000 2.265 794 R HA 0.471 4.812 4.340 0.003 0.000 0.319 794 R C 0.303 176.568 176.300 -0.058 0.000 1.006 794 R CA -0.082 55.976 56.100 -0.069 0.000 0.880 794 R CB 1.224 31.494 30.300 -0.050 0.000 1.077 794 R HN 0.778 nan 8.270 nan 0.000 0.454 795 S N 2.756 118.454 115.700 -0.003 0.000 2.525 795 S HA -0.033 4.439 4.470 0.003 0.000 0.285 795 S C 0.540 175.172 174.600 0.054 0.000 1.283 795 S CA -0.388 57.835 58.200 0.038 0.000 1.072 795 S CB 0.531 63.778 63.200 0.079 0.000 0.867 795 S HN 0.680 nan 8.310 nan 0.000 0.492 796 D N 3.270 123.716 120.400 0.077 0.000 2.264 796 D HA -0.076 4.566 4.640 0.003 0.000 0.208 796 D C 1.128 177.583 176.300 0.259 0.000 0.966 796 D CA 1.006 55.083 54.000 0.129 0.000 0.864 796 D CB -0.099 40.744 40.800 0.073 0.000 0.933 796 D HN 0.775 nan 8.370 nan 0.000 0.499 797 Y N 1.354 121.694 120.300 0.067 0.000 2.231 797 Y HA -0.101 4.451 4.550 0.003 0.000 0.294 797 Y C 2.311 178.230 175.900 0.031 0.000 1.120 797 Y CA 1.860 60.004 58.100 0.072 0.000 1.141 797 Y CB -0.331 38.154 38.460 0.042 0.000 1.022 797 Y HN 0.021 nan 8.280 nan 0.000 0.523 798 T N -4.707 109.766 114.554 -0.134 0.000 2.959 798 T HA 0.351 4.703 4.350 0.003 0.000 0.254 798 T C 1.656 175.865 174.700 -0.819 0.000 1.003 798 T CA 0.558 62.411 62.100 -0.411 0.000 0.950 798 T CB 0.014 68.801 68.868 -0.134 0.000 1.090 798 T HN 0.500 nan 8.240 nan 0.000 0.503 799 G N 0.720 109.145 108.800 -0.625 0.000 2.179 799 G HA2 -0.262 3.699 3.960 0.003 0.000 0.260 799 G HA3 -0.262 3.699 3.960 0.003 0.000 0.260 799 G C -0.119 174.543 174.900 -0.397 0.000 0.977 799 G CA 0.195 44.982 45.100 -0.522 0.000 0.641 799 G HN 0.625 nan 8.290 nan 0.000 0.533 800 Y N -0.161 120.036 120.300 -0.171 0.000 2.336 800 Y HA 0.479 5.031 4.550 0.003 0.000 0.331 800 Y C 0.946 176.810 175.900 -0.061 0.000 1.211 800 Y CA -0.361 57.675 58.100 -0.107 0.000 1.346 800 Y CB 1.352 39.751 38.460 -0.102 0.000 1.271 800 Y HN 0.061 nan 8.280 nan 0.000 0.538 801 V N 2.809 122.793 119.914 0.117 0.000 2.435 801 V HA 0.362 4.483 4.120 0.003 0.000 0.290 801 V C -0.177 175.964 176.094 0.078 0.000 1.030 801 V CA -0.740 61.592 62.300 0.053 0.000 0.881 801 V CB 1.697 33.523 31.823 0.005 0.000 0.983 801 V HN 0.785 nan 8.190 nan 0.000 0.445 802 T N 4.206 118.831 114.554 0.118 0.000 2.779 802 T HA 0.477 4.829 4.350 0.003 0.000 0.280 802 T C -0.273 174.565 174.700 0.230 0.000 0.987 802 T CA -0.339 61.874 62.100 0.187 0.000 0.966 802 T CB 0.765 69.825 68.868 0.320 0.000 0.933 802 T HN 0.977 nan 8.240 nan 0.000 0.442 803 C N 1.734 121.102 119.300 0.114 0.000 2.493 803 C HA 0.964 5.426 4.460 0.003 0.000 0.326 803 C C 0.183 175.205 174.990 0.052 0.000 1.200 803 C CA -0.748 58.310 59.018 0.067 0.000 1.739 803 C CB 1.000 28.659 27.740 -0.135 0.000 2.300 803 C HN 0.816 nan 8.230 nan 0.000 0.500 804 T N 0.008 114.581 114.554 0.032 0.000 2.906 804 T HA 0.689 5.041 4.350 0.003 0.000 0.295 804 T C 0.683 175.346 174.700 -0.062 0.000 1.061 804 T CA 0.330 62.398 62.100 -0.054 0.000 1.000 804 T CB 1.627 70.356 68.868 -0.233 0.000 1.103 804 T HN 1.141 nan 8.240 nan 0.000 0.486 805 T N -0.357 114.167 114.554 -0.050 0.000 3.129 805 T HA 0.314 4.665 4.350 0.003 0.000 0.267 805 T C -0.077 174.615 174.700 -0.015 0.000 1.018 805 T CA -0.474 61.606 62.100 -0.034 0.000 0.903 805 T CB -0.103 68.745 68.868 -0.033 0.000 1.067 805 T HN 0.457 nan 8.240 nan 0.000 0.549 806 D N 3.660 124.032 120.400 -0.045 0.000 2.455 806 D HA 0.144 4.786 4.640 0.003 0.000 0.241 806 D C 0.464 176.767 176.300 0.006 0.000 1.138 806 D CA 0.085 54.078 54.000 -0.011 0.000 0.877 806 D CB 0.965 41.773 40.800 0.014 0.000 1.187 806 D HN 0.625 nan 8.370 nan 0.000 0.451 807 K N 1.608 122.045 120.400 0.063 0.000 2.326 807 K HA 0.206 4.527 4.320 0.003 0.000 0.275 807 K C 0.044 176.705 176.600 0.102 0.000 1.018 807 K CA -0.547 55.818 56.287 0.131 0.000 0.962 807 K CB 0.615 33.188 32.500 0.121 0.000 0.953 807 K HN 0.317 nan 8.250 nan 0.000 0.475 808 L N 2.736 124.035 121.223 0.126 0.000 2.485 808 L HA -0.032 4.309 4.340 0.003 0.000 0.275 808 L C 0.910 177.799 176.870 0.031 0.000 1.207 808 L CA -0.185 54.650 54.840 -0.008 0.000 0.855 808 L CB 0.569 42.514 42.059 -0.190 0.000 1.114 808 L HN 0.960 nan 8.230 nan 0.000 0.485 809 S N 0.627 116.340 115.700 0.021 0.000 2.589 809 S HA 0.009 4.480 4.470 0.003 0.000 0.265 809 S C 0.683 175.287 174.600 0.006 0.000 1.342 809 S CA -0.661 57.556 58.200 0.027 0.000 1.005 809 S CB 0.932 64.153 63.200 0.035 0.000 0.909 809 S HN 0.601 nan 8.310 nan 0.000 0.555 810 D N 0.855 121.260 120.400 0.007 0.000 2.149 810 D HA -0.115 4.527 4.640 0.003 0.000 0.198 810 D C 1.753 178.035 176.300 -0.030 0.000 0.990 810 D CA 1.275 55.268 54.000 -0.011 0.000 0.839 810 D CB -0.242 40.556 40.800 -0.004 0.000 0.948 810 D HN 0.672 nan 8.370 nan 0.000 0.460 811 K N 0.752 121.145 120.400 -0.012 0.000 2.026 811 K HA -0.125 4.197 4.320 0.003 0.000 0.208 811 K C 1.998 178.586 176.600 -0.018 0.000 1.048 811 K CA 1.297 57.578 56.287 -0.010 0.000 0.929 811 K CB -0.074 32.433 32.500 0.011 0.000 0.713 811 K HN 0.042 nan 8.250 nan 0.000 0.439 812 A N 1.543 124.354 122.820 -0.015 0.000 1.858 812 A HA -0.173 4.149 4.320 0.003 0.000 0.216 812 A C 2.107 179.664 177.584 -0.046 0.000 1.190 812 A CA 1.404 53.426 52.037 -0.026 0.000 0.617 812 A CB -0.709 18.258 19.000 -0.054 0.000 0.827 812 A HN 0.379 nan 8.150 nan 0.000 0.443 813 L N 0.586 121.741 121.223 -0.114 0.000 2.042 813 L HA -0.174 4.168 4.340 0.003 0.000 0.210 813 L C 1.543 178.088 176.870 -0.542 0.000 1.076 813 L CA 2.404 57.065 54.840 -0.299 0.000 0.749 813 L CB -0.814 41.158 42.059 -0.145 0.000 0.893 813 L HN 0.499 nan 8.230 nan 0.000 0.432 814 N N -1.451 117.083 118.700 -0.277 0.000 2.461 814 N HA -0.070 4.672 4.740 0.003 0.000 0.188 814 N C 1.465 176.858 175.510 -0.195 0.000 1.134 814 N CA 0.647 53.554 53.050 -0.239 0.000 0.878 814 N CB 0.022 38.437 38.487 -0.121 0.000 0.972 814 N HN 0.473 nan 8.380 nan 0.000 0.456 815 S N -0.006 115.603 115.700 -0.152 0.000 2.558 815 S HA 0.060 4.531 4.470 0.003 0.000 0.217 815 S C 0.236 174.895 174.600 0.098 0.000 0.975 815 S CA -0.313 57.890 58.200 0.004 0.000 0.912 815 S CB -0.406 62.842 63.200 0.080 0.000 0.776 815 S HN 0.320 nan 8.310 nan 0.000 0.526 816 F N -0.256 119.670 119.950 -0.040 0.000 2.620 816 F HA 0.756 5.285 4.527 0.003 0.000 0.320 816 F C -0.617 175.184 175.800 0.002 0.000 1.069 816 F CA -1.569 56.422 58.000 -0.017 0.000 0.953 816 F CB 0.596 39.573 39.000 -0.038 0.000 1.322 816 F HN -0.278 nan 8.300 nan 0.000 0.479 817 N N 0.654 119.476 118.700 0.203 0.000 2.482 817 N HA 0.545 5.287 4.740 0.003 0.000 0.279 817 N C -0.500 175.140 175.510 0.218 0.000 1.182 817 N CA -0.388 52.727 53.050 0.108 0.000 0.969 817 N CB 1.748 40.294 38.487 0.099 0.000 1.201 817 N HN 0.984 nan 8.380 nan 0.000 0.523 818 A N 0.356 123.262 122.820 0.143 0.000 2.531 818 A HA 0.162 4.483 4.320 0.003 0.000 0.236 818 A C 0.230 177.939 177.584 0.208 0.000 1.062 818 A CA 0.138 52.290 52.037 0.192 0.000 0.760 818 A CB -0.377 18.711 19.000 0.146 0.000 0.995 818 A HN 0.546 nan 8.150 nan 0.000 0.501 819 T N 3.580 118.267 114.554 0.221 0.000 2.867 819 T HA 0.077 4.429 4.350 0.003 0.000 0.297 819 T C 0.284 175.109 174.700 0.208 0.000 0.989 819 T CA 0.088 62.310 62.100 0.203 0.000 1.159 819 T CB -0.244 68.737 68.868 0.188 0.000 0.928 819 T HN 0.589 nan 8.240 nan 0.000 0.538 820 N N 3.174 122.008 118.700 0.224 0.000 2.406 820 N HA 0.243 4.985 4.740 0.003 0.000 0.251 820 N C -0.678 175.005 175.510 0.287 0.000 1.069 820 N CA -0.209 53.026 53.050 0.309 0.000 0.947 820 N CB 1.235 39.882 38.487 0.267 0.000 1.111 820 N HN 0.288 nan 8.380 nan 0.000 0.497 821 V N 1.419 121.522 119.914 0.313 0.000 2.347 821 V HA 0.245 4.367 4.120 0.003 0.000 0.280 821 V C 0.422 176.712 176.094 0.326 0.000 1.021 821 V CA -0.615 61.840 62.300 0.259 0.000 0.847 821 V CB 1.262 33.208 31.823 0.205 0.000 0.990 821 V HN 0.560 nan 8.190 nan 0.000 0.444 822 S N 3.978 119.829 115.700 0.251 0.000 2.594 822 S HA 0.856 5.328 4.470 0.003 0.000 0.322 822 S C -0.040 174.654 174.600 0.157 0.000 1.085 822 S CA 0.330 58.667 58.200 0.228 0.000 1.116 822 S CB 0.446 63.729 63.200 0.138 0.000 0.979 822 S HN 1.393 nan 8.310 nan 0.000 0.465 823 G N 3.721 112.612 108.800 0.152 0.000 2.328 823 G HA2 0.190 4.152 3.960 0.003 0.000 0.299 823 G HA3 0.190 4.152 3.960 0.003 0.000 0.299 823 G C -2.094 172.848 174.900 0.071 0.000 1.435 823 G CA -0.987 44.170 45.100 0.095 0.000 0.865 823 G HN 0.557 nan 8.290 nan 0.000 0.601 824 N N -0.832 117.887 118.700 0.032 0.000 2.487 824 N HA 0.633 5.374 4.740 0.003 0.000 0.292 824 N C -0.412 175.045 175.510 -0.088 0.000 1.108 824 N CA -0.353 52.693 53.050 -0.006 0.000 0.956 824 N CB 2.189 40.684 38.487 0.013 0.000 1.176 824 N HN 0.387 nan 8.380 nan 0.000 0.484 825 V N 1.813 121.616 119.914 -0.186 0.000 2.459 825 V HA 0.396 4.517 4.120 0.003 0.000 0.295 825 V C -0.325 175.617 176.094 -0.254 0.000 1.029 825 V CA -0.790 61.309 62.300 -0.335 0.000 0.874 825 V CB 1.309 32.691 31.823 -0.734 0.000 0.985 825 V HN 0.601 nan 8.190 nan 0.000 0.438 826 N N 3.913 122.491 118.700 -0.204 0.000 2.399 826 N HA 0.749 5.491 4.740 0.003 0.000 0.284 826 N C -1.398 174.027 175.510 -0.141 0.000 1.025 826 N CA -0.468 52.498 53.050 -0.139 0.000 0.885 826 N CB 1.777 40.215 38.487 -0.081 0.000 1.339 826 N HN 0.566 nan 8.380 nan 0.000 0.487 827 L N 1.223 122.369 121.223 -0.128 0.000 2.362 827 L HA 0.766 5.108 4.340 0.003 0.000 0.271 827 L C -0.154 176.682 176.870 -0.056 0.000 1.002 827 L CA -0.711 54.072 54.840 -0.095 0.000 0.818 827 L CB 1.857 43.851 42.059 -0.108 0.000 1.298 827 L HN 0.596 nan 8.230 nan 0.000 0.420 828 S N 0.135 115.813 115.700 -0.037 0.000 2.705 828 S HA 0.913 5.384 4.470 0.003 0.000 0.280 828 S C 0.123 174.715 174.600 -0.014 0.000 1.174 828 S CA -0.154 58.032 58.200 -0.023 0.000 0.823 828 S CB 1.539 64.726 63.200 -0.021 0.000 1.162 828 S HN 1.246 nan 8.310 nan 0.000 0.487 829 G N 2.238 111.033 108.800 -0.009 0.000 2.622 829 G HA2 -0.359 3.603 3.960 0.003 0.000 0.307 829 G HA3 -0.359 3.603 3.960 0.003 0.000 0.307 829 G C 0.282 175.181 174.900 -0.002 0.000 1.226 829 G CA 0.884 45.981 45.100 -0.004 0.000 0.997 829 G HN 1.290 nan 8.290 nan 0.000 0.551 830 N N 1.610 120.311 118.700 0.001 0.000 2.238 830 N HA 0.538 5.280 4.740 0.003 0.000 0.222 830 N C 0.804 176.318 175.510 0.005 0.000 1.133 830 N CA 1.209 54.262 53.050 0.004 0.000 0.854 830 N CB -0.101 38.390 38.487 0.007 0.000 1.041 830 N HN 1.019 nan 8.380 nan 0.000 0.510 831 A N 0.622 123.444 122.820 0.002 0.000 2.498 831 A HA 0.211 4.533 4.320 0.003 0.000 0.239 831 A C 0.115 177.706 177.584 0.012 0.000 1.068 831 A CA -0.067 51.974 52.037 0.006 0.000 0.766 831 A CB -0.036 18.965 19.000 0.001 0.000 1.003 831 A HN 0.504 nan 8.150 nan 0.000 0.497 832 N N 0.708 119.417 118.700 0.015 0.000 2.372 832 N HA 0.521 5.262 4.740 0.003 0.000 0.285 832 N C -1.743 173.765 175.510 -0.003 0.000 1.008 832 N CA -0.437 52.612 53.050 -0.001 0.000 0.880 832 N CB 0.817 39.296 38.487 -0.014 0.000 1.239 832 N HN 0.434 nan 8.380 nan 0.000 0.484 833 F N 4.696 124.536 119.950 -0.183 0.000 2.445 833 F HA 0.557 5.087 4.527 0.004 0.000 0.348 833 F C -1.327 174.301 175.800 -0.287 0.000 1.125 833 F CA -0.639 57.223 58.000 -0.229 0.000 0.983 833 F CB 0.939 39.815 39.000 -0.206 0.000 1.198 833 F HN 0.161 nan 8.300 nan 0.000 0.436 834 V N 7.560 126.947 119.914 -0.878 0.000 2.444 834 V HA 0.383 4.505 4.120 0.003 0.000 0.294 834 V C -0.150 175.507 176.094 -0.728 0.000 1.022 834 V CA -0.801 61.054 62.300 -0.742 0.000 0.850 834 V CB 1.594 32.839 31.823 -0.964 0.000 0.992 834 V HN 0.638 nan 8.190 nan 0.000 0.426 835 L N 3.873 124.806 121.223 -0.484 0.000 2.334 835 L HA 0.731 5.072 4.340 0.003 0.000 0.277 835 L C 1.078 177.847 176.870 -0.167 0.000 1.075 835 L CA 0.258 54.908 54.840 -0.316 0.000 0.804 835 L CB 1.461 43.418 42.059 -0.169 0.000 1.174 835 L HN 0.802 nan 8.230 nan 0.000 0.438 836 G N 1.144 109.892 108.800 -0.086 0.000 3.414 836 G HA2 0.164 4.125 3.960 0.003 0.000 0.189 836 G HA3 0.164 4.125 3.960 0.003 0.000 0.189 836 G C -0.459 174.479 174.900 0.063 0.000 1.329 836 G CA -0.443 44.649 45.100 -0.012 0.000 0.851 836 G HN 0.494 nan 8.290 nan 0.000 0.671 837 K N 1.075 121.559 120.400 0.139 0.000 2.083 837 K HA 0.526 4.847 4.320 0.003 0.000 0.246 837 K C -0.593 176.121 176.600 0.190 0.000 1.160 837 K CA 0.111 56.511 56.287 0.187 0.000 1.060 837 K CB -0.546 32.113 32.500 0.264 0.000 1.417 837 K HN 0.560 nan 8.250 nan 0.000 0.329 838 A N 3.379 126.292 122.820 0.155 0.000 2.594 838 A HA 0.418 4.739 4.320 0.003 0.000 0.296 838 A C -1.652 176.016 177.584 0.140 0.000 1.061 838 A CA -1.128 50.994 52.037 0.143 0.000 0.689 838 A CB 1.176 20.233 19.000 0.094 0.000 1.280 838 A HN 0.588 nan 8.150 nan 0.000 0.406 839 N N 1.121 119.890 118.700 0.115 0.000 2.446 839 N HA 0.483 5.225 4.740 0.003 0.000 0.265 839 N C -1.386 174.046 175.510 -0.129 0.000 0.975 839 N CA -0.309 52.733 53.050 -0.014 0.000 0.928 839 N CB 2.000 40.447 38.487 -0.066 0.000 1.160 839 N HN 0.605 nan 8.380 nan 0.000 0.495 840 L N 2.923 124.085 121.223 -0.101 0.000 2.272 840 L HA 0.559 4.901 4.340 0.003 0.000 0.289 840 L C -1.385 175.430 176.870 -0.092 0.000 1.032 840 L CA -0.271 54.569 54.840 0.001 0.000 0.810 840 L CB 0.086 42.195 42.059 0.085 0.000 1.205 840 L HN 0.299 nan 8.230 nan 0.000 0.422 841 F N 5.187 125.298 119.950 0.269 0.000 2.311 841 F HA 0.798 5.326 4.527 0.002 0.000 0.371 841 F C 0.826 176.751 175.800 0.209 0.000 1.083 841 F CA -0.169 57.970 58.000 0.232 0.000 1.113 841 F CB 1.212 40.269 39.000 0.094 0.000 1.349 841 F HN 0.681 nan 8.300 nan 0.000 0.470 842 G N 0.607 109.648 108.800 0.400 0.000 2.322 842 G HA2 0.442 4.404 3.960 0.003 0.000 0.295 842 G HA3 0.442 4.404 3.960 0.003 0.000 0.295 842 G C -1.089 174.043 174.900 0.387 0.000 1.369 842 G CA -0.800 44.477 45.100 0.295 0.000 0.821 842 G HN 0.450 nan 8.290 nan 0.000 0.536 843 T N -1.648 113.057 114.554 0.251 0.000 2.927 843 T HA 0.785 5.137 4.350 0.003 0.000 0.281 843 T C -0.005 174.788 174.700 0.155 0.000 0.998 843 T CA -0.617 61.653 62.100 0.285 0.000 1.019 843 T CB 1.548 70.513 68.868 0.161 0.000 1.061 843 T HN 0.593 nan 8.240 nan 0.000 0.518 844 I N 1.137 121.821 120.570 0.189 0.000 2.498 844 I HA 0.383 4.555 4.170 0.003 0.000 0.290 844 I C -0.420 175.694 176.117 -0.005 0.000 1.032 844 I CA -0.921 60.322 61.300 -0.095 0.000 1.073 844 I CB 2.432 40.181 38.000 -0.420 0.000 1.251 844 I HN 0.623 nan 8.210 nan 0.000 0.426 845 S N 3.808 119.468 115.700 -0.067 0.000 2.669 845 S HA 0.609 5.081 4.470 0.003 0.000 0.315 845 S C -0.021 174.538 174.600 -0.068 0.000 1.106 845 S CA -0.646 57.533 58.200 -0.035 0.000 1.107 845 S CB 1.504 64.689 63.200 -0.025 0.000 0.990 845 S HN 0.834 nan 8.310 nan 0.000 0.471 846 G N 2.301 111.071 108.800 -0.050 0.000 2.574 846 G HA2 0.597 4.559 3.960 0.003 0.000 0.306 846 G HA3 0.597 4.559 3.960 0.003 0.000 0.306 846 G C -0.107 174.777 174.900 -0.027 0.000 1.334 846 G CA -0.604 44.463 45.100 -0.055 0.000 0.954 846 G HN 0.595 nan 8.290 nan 0.000 0.500 847 T N -0.550 113.989 114.554 -0.025 0.000 2.804 847 T HA 0.855 5.207 4.350 0.003 0.000 0.272 847 T C 1.191 175.884 174.700 -0.011 0.000 0.986 847 T CA 0.401 62.492 62.100 -0.014 0.000 0.999 847 T CB 1.349 70.208 68.868 -0.014 0.000 1.307 847 T HN 2.162 nan 8.240 nan 0.000 0.586 848 G N 1.572 110.368 108.800 -0.007 0.000 2.583 848 G HA2 -0.335 3.626 3.960 0.003 0.000 0.292 848 G HA3 -0.335 3.626 3.960 0.003 0.000 0.292 848 G C 0.400 175.299 174.900 -0.001 0.000 1.203 848 G CA 0.647 45.745 45.100 -0.004 0.000 0.987 848 G HN 1.110 nan 8.290 nan 0.000 0.554 849 N N 1.058 119.758 118.700 0.000 0.000 2.251 849 N HA 0.348 5.090 4.740 0.003 0.000 0.217 849 N C 1.062 176.574 175.510 0.004 0.000 1.124 849 N CA 1.092 54.145 53.050 0.004 0.000 0.843 849 N CB -0.043 38.448 38.487 0.006 0.000 1.024 849 N HN 0.949 nan 8.380 nan 0.000 0.501 850 S N -0.465 115.234 115.700 -0.001 0.000 2.584 850 S HA 0.309 4.781 4.470 0.003 0.000 0.270 850 S C -0.188 174.413 174.600 0.001 0.000 1.346 850 S CA -0.450 57.748 58.200 -0.004 0.000 1.018 850 S CB 1.052 64.242 63.200 -0.017 0.000 0.899 850 S HN 0.218 nan 8.310 nan 0.000 0.542 851 Q N 0.469 120.272 119.800 0.005 0.000 2.356 851 Q HA 0.689 5.030 4.340 0.003 0.000 0.270 851 Q C -1.419 174.591 176.000 0.017 0.000 1.058 851 Q CA -0.730 55.079 55.803 0.009 0.000 0.802 851 Q CB 2.250 30.991 28.738 0.005 0.000 1.303 851 Q HN 0.565 nan 8.270 nan 0.000 0.444 852 V N 2.517 122.443 119.914 0.019 0.000 2.448 852 V HA 0.587 4.709 4.120 0.003 0.000 0.295 852 V C -0.452 175.647 176.094 0.009 0.000 1.025 852 V CA -0.715 61.605 62.300 0.034 0.000 0.859 852 V CB 1.511 33.330 31.823 -0.006 0.000 0.988 852 V HN 0.623 nan 8.190 nan 0.000 0.431 853 R N 4.290 124.763 120.500 -0.045 0.000 2.599 853 R HA 0.720 5.061 4.340 0.003 0.000 0.295 853 R C -1.719 174.532 176.300 -0.080 0.000 0.963 853 R CA -0.881 55.183 56.100 -0.059 0.000 0.883 853 R CB 2.250 32.492 30.300 -0.097 0.000 1.171 853 R HN 0.421 nan 8.270 nan 0.000 0.450 854 L N 1.394 122.597 121.223 -0.033 0.000 2.346 854 L HA 0.493 4.834 4.340 0.003 0.000 0.274 854 L C 0.590 177.434 176.870 -0.042 0.000 1.007 854 L CA -0.181 54.638 54.840 -0.034 0.000 0.818 854 L CB 2.072 44.135 42.059 0.007 0.000 1.284 854 L HN 0.800 nan 8.230 nan 0.000 0.424 855 T N -2.540 111.989 114.554 -0.042 0.000 2.804 855 T HA 0.331 4.682 4.350 0.003 0.000 0.272 855 T C 0.843 175.537 174.700 -0.010 0.000 0.986 855 T CA -0.177 61.905 62.100 -0.031 0.000 0.999 855 T CB 0.845 69.692 68.868 -0.035 0.000 1.307 855 T HN 0.690 nan 8.240 nan 0.000 0.586 856 E N 0.384 120.587 120.200 0.006 0.000 2.268 856 E HA -0.106 4.245 4.350 0.003 0.000 0.195 856 E C 0.770 177.424 176.600 0.091 0.000 0.995 856 E CA 0.751 57.171 56.400 0.034 0.000 0.836 856 E CB -0.289 29.431 29.700 0.033 0.000 0.763 856 E HN 0.463 nan 8.360 nan 0.000 0.491 857 N N 0.798 119.549 118.700 0.085 0.000 2.251 857 N HA 0.106 4.847 4.740 0.003 0.000 0.217 857 N C -0.802 174.800 175.510 0.153 0.000 1.124 857 N CA 0.048 53.175 53.050 0.129 0.000 0.843 857 N CB 1.147 39.703 38.487 0.115 0.000 1.024 857 N HN -0.021 nan 8.380 nan 0.000 0.501 858 S N 0.453 116.200 115.700 0.078 0.000 2.480 858 S HA 0.330 4.801 4.470 0.003 0.000 0.286 858 S C -0.392 174.192 174.600 -0.026 0.000 1.180 858 S CA -0.384 57.859 58.200 0.071 0.000 1.075 858 S CB 1.268 64.484 63.200 0.027 0.000 0.996 858 S HN 0.202 nan 8.310 nan 0.000 0.487 859 H N 1.203 120.345 119.070 0.121 0.000 2.658 859 H HA 0.189 4.746 4.556 0.003 0.000 0.337 859 H C -1.405 173.988 175.328 0.109 0.000 1.009 859 H CA -0.483 55.633 56.048 0.113 0.000 1.231 859 H CB 1.220 31.003 29.762 0.035 0.000 1.508 859 H HN 0.694 nan 8.280 nan 0.000 0.517 860 W N 5.962 127.248 121.300 -0.023 0.000 2.329 860 W HA 0.252 4.914 4.660 0.002 0.000 0.312 860 W C -0.965 175.480 176.519 -0.122 0.000 1.054 860 W CA -0.805 56.510 57.345 -0.050 0.000 1.245 860 W CB 0.353 29.817 29.460 0.006 0.000 1.255 860 W HN 0.538 nan 8.180 nan 0.000 0.436 861 H N 7.376 126.473 119.070 0.046 0.000 2.623 861 H HA 0.232 4.790 4.556 0.003 0.000 0.299 861 H C -0.424 174.865 175.328 -0.065 0.000 1.052 861 H CA -0.894 55.111 56.048 -0.072 0.000 1.231 861 H CB 1.155 30.872 29.762 -0.075 0.000 1.389 861 H HN 0.124 nan 8.280 nan 0.000 0.469 862 L N 2.870 123.944 121.223 -0.249 0.000 2.455 862 L HA -0.039 4.303 4.340 0.003 0.000 0.272 862 L C 1.772 178.681 176.870 0.064 0.000 1.174 862 L CA 0.447 55.203 54.840 -0.140 0.000 0.869 862 L CB 0.699 42.569 42.059 -0.316 0.000 1.130 862 L HN 0.663 nan 8.230 nan 0.000 0.474 863 T N -1.291 113.348 114.554 0.142 0.000 3.069 863 T HA 0.580 4.931 4.350 0.003 0.000 0.252 863 T C 0.572 175.319 174.700 0.077 0.000 1.053 863 T CA 0.178 62.350 62.100 0.119 0.000 0.964 863 T CB -0.014 68.943 68.868 0.148 0.000 1.005 863 T HN 0.758 nan 8.240 nan 0.000 0.532 864 G N 0.110 108.951 108.800 0.068 0.000 2.349 864 G HA2 0.426 4.388 3.960 0.003 0.000 0.294 864 G HA3 0.426 4.388 3.960 0.003 0.000 0.294 864 G C -2.178 172.750 174.900 0.046 0.000 1.380 864 G CA -0.974 44.156 45.100 0.051 0.000 0.811 864 G HN 0.067 nan 8.290 nan 0.000 0.519 865 D N 0.350 120.774 120.400 0.040 0.000 2.472 865 D HA 0.461 5.102 4.640 0.003 0.000 0.237 865 D C 0.217 176.556 176.300 0.064 0.000 1.141 865 D CA 0.897 54.918 54.000 0.034 0.000 0.875 865 D CB 1.231 42.049 40.800 0.029 0.000 1.192 865 D HN 0.296 nan 8.370 nan 0.000 0.450 866 S N 0.604 116.347 115.700 0.073 0.000 2.548 866 S HA 0.578 5.050 4.470 0.003 0.000 0.286 866 S C -0.626 174.041 174.600 0.112 0.000 1.098 866 S CA -1.106 57.183 58.200 0.149 0.000 0.930 866 S CB 1.447 64.850 63.200 0.339 0.000 1.070 866 S HN 0.567 nan 8.310 nan 0.000 0.480 867 N N -0.230 118.533 118.700 0.106 0.000 2.430 867 N HA 0.664 5.406 4.740 0.003 0.000 0.290 867 N C -1.466 174.080 175.510 0.061 0.000 1.063 867 N CA -0.721 52.366 53.050 0.062 0.000 0.883 867 N CB 1.425 39.929 38.487 0.029 0.000 1.465 867 N HN 0.270 nan 8.380 nan 0.000 0.493 868 V N 1.599 121.551 119.914 0.064 0.000 2.914 868 V HA 0.398 4.520 4.120 0.003 0.000 0.314 868 V C 0.530 176.640 176.094 0.027 0.000 1.084 868 V CA -0.806 61.523 62.300 0.049 0.000 0.963 868 V CB 1.860 33.744 31.823 0.102 0.000 1.025 868 V HN 0.858 nan 8.190 nan 0.000 0.432 869 N N 1.985 120.694 118.700 0.014 0.000 2.236 869 N HA 0.004 4.746 4.740 0.003 0.000 0.195 869 N C 0.703 176.227 175.510 0.022 0.000 1.048 869 N CA 0.787 53.844 53.050 0.012 0.000 0.927 869 N CB 0.072 38.562 38.487 0.006 0.000 1.112 869 N HN 0.769 nan 8.380 nan 0.000 0.482 870 Q N 0.135 119.950 119.800 0.024 0.000 2.256 870 Q HA 0.439 4.781 4.340 0.003 0.000 0.254 870 Q C -1.667 174.362 176.000 0.048 0.000 0.916 870 Q CA -0.634 55.190 55.803 0.036 0.000 0.932 870 Q CB 0.868 29.625 28.738 0.031 0.000 1.207 870 Q HN 0.439 nan 8.270 nan 0.000 0.426 871 L N 4.824 126.088 121.223 0.069 0.000 2.376 871 L HA 0.507 4.849 4.340 0.003 0.000 0.275 871 L C -1.679 175.256 176.870 0.108 0.000 0.987 871 L CA -0.231 54.666 54.840 0.095 0.000 0.828 871 L CB 1.792 43.933 42.059 0.137 0.000 1.249 871 L HN 0.732 nan 8.230 nan 0.000 0.409 872 N N 5.965 124.719 118.700 0.090 0.000 2.314 872 N HA 0.478 5.219 4.740 0.003 0.000 0.294 872 N C -1.722 173.841 175.510 0.088 0.000 1.029 872 N CA -0.470 52.641 53.050 0.101 0.000 0.845 872 N CB 1.577 40.101 38.487 0.062 0.000 1.321 872 N HN 0.672 nan 8.380 nan 0.000 0.481 873 L N 2.018 123.318 121.223 0.128 0.000 2.317 873 L HA 0.363 4.704 4.340 0.003 0.000 0.281 873 L C -0.450 176.432 176.870 0.020 0.000 1.024 873 L CA -0.807 54.073 54.840 0.067 0.000 0.810 873 L CB 1.624 43.746 42.059 0.106 0.000 1.240 873 L HN 0.520 nan 8.230 nan 0.000 0.427 874 D N 4.279 124.664 120.400 -0.025 0.000 2.404 874 D HA 0.199 4.841 4.640 0.003 0.000 0.267 874 D C 0.003 176.262 176.300 -0.069 0.000 1.194 874 D CA -0.424 53.551 54.000 -0.042 0.000 0.910 874 D CB 0.377 41.160 40.800 -0.028 0.000 1.090 874 D HN 0.462 nan 8.370 nan 0.000 0.511 875 K N 0.932 121.267 120.400 -0.109 0.000 3.088 875 K HA -0.142 4.179 4.320 0.003 0.000 0.273 875 K C 0.699 177.144 176.600 -0.259 0.000 1.111 875 K CA 0.820 57.007 56.287 -0.167 0.000 0.803 875 K CB -1.771 30.676 32.500 -0.088 0.000 1.226 875 K HN 0.515 nan 8.250 nan 0.000 0.485 876 G N 0.167 108.831 108.800 -0.228 0.000 2.634 876 G HA2 0.244 4.205 3.960 0.003 0.000 0.255 876 G HA3 0.244 4.205 3.960 0.003 0.000 0.255 876 G C -0.399 174.219 174.900 -0.470 0.000 1.205 876 G CA -0.391 44.573 45.100 -0.227 0.000 0.884 876 G HN 0.337 nan 8.290 nan 0.000 0.549 877 H N 0.062 118.980 119.070 -0.254 0.000 2.658 877 H HA 0.316 4.874 4.556 0.003 0.000 0.337 877 H C -0.699 174.497 175.328 -0.219 0.000 1.009 877 H CA -0.295 55.607 56.048 -0.243 0.000 1.231 877 H CB 1.871 31.413 29.762 -0.368 0.000 1.508 877 H HN 0.199 nan 8.280 nan 0.000 0.517 878 I N 3.974 124.413 120.570 -0.219 0.000 2.382 878 I HA 0.112 4.284 4.170 0.003 0.000 0.286 878 I C -0.367 175.622 176.117 -0.213 0.000 1.002 878 I CA -0.578 60.591 61.300 -0.218 0.000 1.135 878 I CB 0.939 38.763 38.000 -0.293 0.000 1.288 878 I HN 0.498 nan 8.210 nan 0.000 0.448 879 H N 6.477 125.407 119.070 -0.232 0.000 2.690 879 H HA 0.285 4.842 4.556 0.003 0.000 0.289 879 H C 0.752 175.950 175.328 -0.216 0.000 1.089 879 H CA -0.422 55.521 56.048 -0.175 0.000 1.299 879 H CB 1.231 30.747 29.762 -0.410 0.000 1.405 879 H HN 0.544 nan 8.280 nan 0.000 0.463 880 L N 1.544 122.712 121.223 -0.090 0.000 2.376 880 L HA -0.008 4.334 4.340 0.003 0.000 0.219 880 L C 0.905 177.728 176.870 -0.078 0.000 1.133 880 L CA 0.715 55.445 54.840 -0.184 0.000 0.816 880 L CB -0.013 41.883 42.059 -0.272 0.000 0.933 880 L HN 0.588 nan 8.230 nan 0.000 0.449 881 N N -0.727 117.988 118.700 0.025 0.000 2.272 881 N HA 0.300 5.042 4.740 0.003 0.000 0.305 881 N C 0.492 176.066 175.510 0.106 0.000 1.103 881 N CA 0.289 53.371 53.050 0.054 0.000 0.791 881 N CB 2.249 40.778 38.487 0.071 0.000 1.356 881 N HN -0.100 nan 8.380 nan 0.000 0.486 882 A N 1.896 124.771 122.820 0.091 0.000 2.067 882 A HA -0.043 4.279 4.320 0.003 0.000 0.219 882 A C 0.757 178.398 177.584 0.094 0.000 1.158 882 A CA 1.056 53.173 52.037 0.132 0.000 0.661 882 A CB 0.001 19.061 19.000 0.101 0.000 0.801 882 A HN 0.629 nan 8.150 nan 0.000 0.452 883 Q N -0.267 119.569 119.800 0.060 0.000 2.221 883 Q HA 0.224 4.566 4.340 0.003 0.000 0.242 883 Q C 0.039 176.088 176.000 0.082 0.000 0.940 883 Q CA 0.287 56.116 55.803 0.043 0.000 0.896 883 Q CB 0.716 29.460 28.738 0.010 0.000 1.226 883 Q HN 0.805 nan 8.270 nan 0.000 0.463 884 N N -0.856 117.886 118.700 0.069 0.000 2.171 884 N HA 0.012 4.754 4.740 0.003 0.000 0.212 884 N C -0.668 174.895 175.510 0.088 0.000 1.184 884 N CA -0.188 52.920 53.050 0.097 0.000 0.888 884 N CB 0.772 39.309 38.487 0.082 0.000 1.038 884 N HN 0.260 nan 8.380 nan 0.000 0.517 885 D N 1.090 121.530 120.400 0.066 0.000 2.349 885 D HA 0.299 4.940 4.640 0.003 0.000 0.232 885 D C 0.712 177.059 176.300 0.078 0.000 1.071 885 D CA -0.502 53.536 54.000 0.063 0.000 0.832 885 D CB 1.909 42.733 40.800 0.039 0.000 1.086 885 D HN 0.230 nan 8.370 nan 0.000 0.504 886 A N 4.348 127.233 122.820 0.107 0.000 2.125 886 A HA -0.139 4.183 4.320 0.003 0.000 0.219 886 A C 1.547 179.206 177.584 0.125 0.000 1.156 886 A CA 0.841 52.965 52.037 0.147 0.000 0.671 886 A CB -0.124 18.982 19.000 0.176 0.000 0.794 886 A HN 0.610 nan 8.150 nan 0.000 0.459 887 N N -0.727 118.025 118.700 0.087 0.000 2.280 887 N HA 0.048 4.789 4.740 0.003 0.000 0.192 887 N C 0.456 175.994 175.510 0.045 0.000 1.109 887 N CA 0.334 53.427 53.050 0.071 0.000 0.855 887 N CB 0.282 38.806 38.487 0.061 0.000 0.974 887 N HN 0.478 nan 8.380 nan 0.000 0.482 888 K N 0.752 121.171 120.400 0.031 0.000 2.537 888 K HA 0.201 4.523 4.320 0.003 0.000 0.206 888 K C -0.440 176.147 176.600 -0.022 0.000 1.041 888 K CA -0.040 56.251 56.287 0.007 0.000 1.090 888 K CB 1.549 34.052 32.500 0.005 0.000 0.833 888 K HN -0.146 nan 8.250 nan 0.000 0.493 889 V N 0.517 120.407 119.914 -0.040 0.000 2.513 889 V HA 0.210 4.332 4.120 0.003 0.000 0.299 889 V C 0.745 176.734 176.094 -0.175 0.000 1.035 889 V CA -0.076 62.136 62.300 -0.147 0.000 0.889 889 V CB 1.797 33.477 31.823 -0.240 0.000 0.988 889 V HN 0.232 nan 8.190 nan 0.000 0.440 890 T N 2.853 117.288 114.554 -0.198 0.000 2.978 890 T HA 0.200 4.552 4.350 0.003 0.000 0.248 890 T C 0.570 175.151 174.700 -0.199 0.000 1.018 890 T CA 0.858 62.877 62.100 -0.134 0.000 1.026 890 T CB -0.030 68.808 68.868 -0.050 0.000 1.032 890 T HN 0.944 nan 8.240 nan 0.000 0.485 891 T N 0.250 114.625 114.554 -0.299 0.000 2.861 891 T HA 0.704 5.056 4.350 0.003 0.000 0.287 891 T C -1.335 173.155 174.700 -0.349 0.000 1.003 891 T CA -0.734 61.244 62.100 -0.204 0.000 0.977 891 T CB 1.286 70.115 68.868 -0.065 0.000 0.996 891 T HN 0.185 nan 8.240 nan 0.000 0.448 892 Y N 1.714 122.038 120.300 0.039 0.000 2.420 892 Y HA 0.597 5.149 4.550 0.002 0.000 0.334 892 Y C 0.634 176.547 175.900 0.021 0.000 1.094 892 Y CA -1.092 57.032 58.100 0.040 0.000 1.126 892 Y CB 1.650 40.144 38.460 0.056 0.000 1.217 892 Y HN 0.618 nan 8.280 nan 0.000 0.462 893 N N 0.314 119.103 118.700 0.148 0.000 2.384 893 N HA 0.467 5.209 4.740 0.003 0.000 0.301 893 N C -1.165 174.361 175.510 0.027 0.000 1.133 893 N CA -0.610 52.474 53.050 0.057 0.000 0.853 893 N CB 1.905 40.392 38.487 -0.000 0.000 1.241 893 N HN 0.502 nan 8.380 nan 0.000 0.502 894 T N 1.109 115.663 114.554 0.001 0.000 2.807 894 T HA 0.377 4.729 4.350 0.003 0.000 0.279 894 T C -0.473 174.194 174.700 -0.056 0.000 0.993 894 T CA -0.475 61.608 62.100 -0.030 0.000 0.970 894 T CB 1.129 69.990 68.868 -0.012 0.000 0.950 894 T HN 0.226 nan 8.240 nan 0.000 0.441 895 L N 3.894 125.054 121.223 -0.104 0.000 2.265 895 L HA 0.592 4.934 4.340 0.003 0.000 0.289 895 L C -0.279 176.532 176.870 -0.099 0.000 1.033 895 L CA 0.152 54.936 54.840 -0.093 0.000 0.814 895 L CB 0.982 42.953 42.059 -0.146 0.000 1.203 895 L HN 0.575 nan 8.230 nan 0.000 0.423 896 T N 4.645 119.172 114.554 -0.046 0.000 2.794 896 T HA 0.723 5.074 4.350 0.003 0.000 0.280 896 T C -0.705 173.976 174.700 -0.032 0.000 0.987 896 T CA -0.407 61.656 62.100 -0.061 0.000 0.993 896 T CB 1.467 70.313 68.868 -0.038 0.000 0.939 896 T HN 0.381 nan 8.240 nan 0.000 0.449 897 V N 3.590 123.466 119.914 -0.065 0.000 2.760 897 V HA 0.357 4.479 4.120 0.003 0.000 0.309 897 V C 0.501 176.572 176.094 -0.039 0.000 1.077 897 V CA -0.929 61.352 62.300 -0.032 0.000 0.910 897 V CB 2.305 34.099 31.823 -0.050 0.000 1.008 897 V HN 0.738 nan 8.190 nan 0.000 0.424 898 N N 1.177 119.870 118.700 -0.011 0.000 2.132 898 N HA 0.007 4.749 4.740 0.003 0.000 0.187 898 N C 0.723 176.232 175.510 -0.000 0.000 1.038 898 N CA 0.971 54.016 53.050 -0.008 0.000 0.846 898 N CB 0.226 38.715 38.487 0.002 0.000 1.012 898 N HN 0.606 nan 8.380 nan 0.000 0.429 899 S N 0.454 116.163 115.700 0.016 0.000 2.707 899 S HA 0.470 4.941 4.470 0.003 0.000 0.312 899 S C -1.339 173.292 174.600 0.052 0.000 1.116 899 S CA -0.675 57.546 58.200 0.035 0.000 1.078 899 S CB 0.248 63.471 63.200 0.039 0.000 0.997 899 S HN 0.109 nan 8.310 nan 0.000 0.477 900 L N 5.583 126.844 121.223 0.063 0.000 2.307 900 L HA 0.856 5.198 4.340 0.003 0.000 0.284 900 L C -0.329 176.662 176.870 0.201 0.000 1.023 900 L CA 0.310 55.205 54.840 0.092 0.000 0.810 900 L CB 1.601 43.658 42.059 -0.004 0.000 1.231 900 L HN 0.741 nan 8.230 nan 0.000 0.423 901 S N 2.697 118.556 115.700 0.265 0.000 2.607 901 S HA 1.025 5.497 4.470 0.003 0.000 0.273 901 S C -0.170 174.655 174.600 0.374 0.000 1.148 901 S CA -0.104 58.288 58.200 0.319 0.000 0.833 901 S CB 1.434 64.735 63.200 0.168 0.000 1.130 901 S HN 1.841 nan 8.310 nan 0.000 0.470 902 G N 1.076 110.007 108.800 0.220 0.000 2.418 902 G HA2 0.064 4.025 3.960 0.003 0.000 0.206 902 G HA3 0.064 4.025 3.960 0.003 0.000 0.206 902 G C -1.329 173.457 174.900 -0.191 0.000 1.202 902 G CA -0.288 44.850 45.100 0.062 0.000 1.061 902 G HN 1.867 nan 8.290 nan 0.000 0.563 903 N N 0.613 119.214 118.700 -0.165 0.000 2.324 903 N HA 0.715 5.457 4.740 0.003 0.000 0.285 903 N C -0.105 175.309 175.510 -0.159 0.000 1.076 903 N CA 0.423 53.262 53.050 -0.352 0.000 0.864 903 N CB 1.980 40.295 38.487 -0.285 0.000 1.632 903 N HN 2.274 nan 8.380 nan 0.000 0.478 904 G N 0.051 108.768 108.800 -0.138 0.000 2.340 904 G HA2 0.444 4.406 3.960 0.003 0.000 0.299 904 G HA3 0.444 4.406 3.960 0.003 0.000 0.299 904 G C -1.980 172.815 174.900 -0.174 0.000 1.291 904 G CA -0.576 44.420 45.100 -0.175 0.000 0.841 904 G HN 0.544 nan 8.290 nan 0.000 0.500 905 S N -0.751 114.711 115.700 -0.397 0.000 2.526 905 S HA 0.778 5.250 4.470 0.003 0.000 0.293 905 S C -1.499 172.773 174.600 -0.546 0.000 1.092 905 S CA -0.363 57.606 58.200 -0.385 0.000 0.980 905 S CB 1.338 64.285 63.200 -0.422 0.000 1.048 905 S HN 0.436 nan 8.310 nan 0.000 0.483 906 F N 1.862 121.690 119.950 -0.204 0.000 2.467 906 F HA 0.491 5.019 4.527 0.003 0.000 0.336 906 F C -0.595 175.064 175.800 -0.234 0.000 1.123 906 F CA -0.723 57.184 58.000 -0.156 0.000 0.964 906 F CB 1.034 40.018 39.000 -0.027 0.000 1.136 906 F HN 0.504 nan 8.300 nan 0.000 0.447 907 Y N 2.543 122.814 120.300 -0.047 0.000 2.341 907 Y HA 0.499 5.051 4.550 0.003 0.000 0.337 907 Y C -0.810 175.103 175.900 0.022 0.000 1.014 907 Y CA -0.972 57.147 58.100 0.032 0.000 1.111 907 Y CB 1.055 39.472 38.460 -0.071 0.000 1.194 907 Y HN 0.469 nan 8.280 nan 0.000 0.462 908 Y N 2.768 123.191 120.300 0.204 0.000 2.485 908 Y HA 0.584 5.135 4.550 0.003 0.000 0.345 908 Y C -0.518 175.505 175.900 0.205 0.000 0.998 908 Y CA -1.133 57.078 58.100 0.186 0.000 1.059 908 Y CB 1.601 40.147 38.460 0.142 0.000 1.234 908 Y HN 0.323 nan 8.280 nan 0.000 0.461 909 L N 2.912 124.373 121.223 0.397 0.000 2.317 909 L HA 0.702 5.044 4.340 0.003 0.000 0.281 909 L C -0.160 176.960 176.870 0.417 0.000 1.024 909 L CA -0.582 54.491 54.840 0.389 0.000 0.810 909 L CB 1.814 44.095 42.059 0.370 0.000 1.240 909 L HN 0.767 nan 8.230 nan 0.000 0.427 910 T N -2.291 112.449 114.554 0.311 0.000 2.865 910 T HA 0.478 4.829 4.350 0.003 0.000 0.294 910 T C -1.158 173.628 174.700 0.144 0.000 1.119 910 T CA -0.729 61.451 62.100 0.134 0.000 1.007 910 T CB 2.582 71.528 68.868 0.131 0.000 1.225 910 T HN 0.442 nan 8.240 nan 0.000 0.515 911 D N 0.794 121.203 120.400 0.014 0.000 2.429 911 D HA 0.245 4.887 4.640 0.003 0.000 0.255 911 D C 0.714 177.024 176.300 0.017 0.000 1.257 911 D CA -0.699 53.346 54.000 0.075 0.000 0.890 911 D CB 0.979 41.833 40.800 0.090 0.000 1.267 911 D HN 0.385 nan 8.370 nan 0.000 0.521 912 L N 2.816 124.062 121.223 0.038 0.000 2.079 912 L HA -0.137 4.205 4.340 0.003 0.000 0.210 912 L C 2.079 178.919 176.870 -0.050 0.000 1.081 912 L CA 2.530 57.325 54.840 -0.075 0.000 0.752 912 L CB -0.671 41.217 42.059 -0.285 0.000 0.896 912 L HN 0.438 nan 8.230 nan 0.000 0.433 913 S N -1.438 114.272 115.700 0.017 0.000 2.442 913 S HA -0.151 4.321 4.470 0.003 0.000 0.236 913 S C 1.673 176.279 174.600 0.010 0.000 1.007 913 S CA 1.303 59.516 58.200 0.021 0.000 0.965 913 S CB -0.609 62.625 63.200 0.057 0.000 0.773 913 S HN 0.613 nan 8.310 nan 0.000 0.504 914 N N 0.961 119.665 118.700 0.006 0.000 2.200 914 N HA 0.225 4.967 4.740 0.003 0.000 0.224 914 N C -0.672 174.824 175.510 -0.024 0.000 1.179 914 N CA -0.235 52.818 53.050 0.004 0.000 0.877 914 N CB -0.293 38.211 38.487 0.029 0.000 1.072 914 N HN 0.324 nan 8.380 nan 0.000 0.519 915 K N 0.125 120.497 120.400 -0.048 0.000 3.077 915 K HA -0.244 4.078 4.320 0.003 0.000 0.264 915 K C -0.804 175.732 176.600 -0.106 0.000 1.008 915 K CA 0.665 56.911 56.287 -0.069 0.000 0.740 915 K CB -1.259 31.212 32.500 -0.048 0.000 1.273 915 K HN 0.515 nan 8.250 nan 0.000 0.477 916 Q N -0.604 119.091 119.800 -0.174 0.000 2.345 916 Q HA 0.735 5.076 4.340 0.003 0.000 0.268 916 Q C 0.140 175.778 176.000 -0.605 0.000 1.054 916 Q CA -0.531 55.044 55.803 -0.381 0.000 0.835 916 Q CB 2.583 31.085 28.738 -0.393 0.000 1.339 916 Q HN 0.359 nan 8.270 nan 0.000 0.447 917 G N 1.206 109.535 108.800 -0.784 0.000 2.355 917 G HA2 0.131 4.092 3.960 0.003 0.000 0.296 917 G HA3 0.131 4.092 3.960 0.003 0.000 0.296 917 G C -1.595 173.259 174.900 -0.077 0.000 1.507 917 G CA -0.858 43.923 45.100 -0.531 0.000 0.823 917 G HN 0.475 nan 8.290 nan 0.000 0.569 918 D N -0.023 120.527 120.400 0.251 0.000 2.362 918 D HA 0.438 5.080 4.640 0.003 0.000 0.238 918 D C 0.219 176.663 176.300 0.240 0.000 1.212 918 D CA 0.554 54.694 54.000 0.233 0.000 0.902 918 D CB 1.472 42.345 40.800 0.122 0.000 1.180 918 D HN 0.529 nan 8.370 nan 0.000 0.445 919 K N -0.306 120.148 120.400 0.090 0.000 2.546 919 K HA 0.444 4.766 4.320 0.003 0.000 0.264 919 K C -1.910 174.654 176.600 -0.060 0.000 0.937 919 K CA -0.686 55.670 56.287 0.115 0.000 0.833 919 K CB 1.776 34.310 32.500 0.057 0.000 1.378 919 K HN 0.125 nan 8.250 nan 0.000 0.432 920 V N 3.145 122.994 119.914 -0.108 0.000 2.495 920 V HA 0.517 4.639 4.120 0.003 0.000 0.298 920 V C -0.802 175.044 176.094 -0.414 0.000 1.031 920 V CA -0.833 61.247 62.300 -0.367 0.000 0.871 920 V CB 1.766 33.168 31.823 -0.701 0.000 0.988 920 V HN 0.513 nan 8.190 nan 0.000 0.432 921 V N 5.026 124.728 119.914 -0.354 0.000 2.540 921 V HA 0.564 4.685 4.120 0.003 0.000 0.302 921 V C -0.486 175.417 176.094 -0.319 0.000 1.035 921 V CA -0.598 61.522 62.300 -0.300 0.000 0.873 921 V CB 2.093 33.822 31.823 -0.157 0.000 0.992 921 V HN 0.599 nan 8.190 nan 0.000 0.428 922 V N 3.930 123.649 119.914 -0.325 0.000 2.444 922 V HA 0.383 4.505 4.120 0.003 0.000 0.294 922 V C 0.933 176.960 176.094 -0.112 0.000 1.022 922 V CA 0.187 62.352 62.300 -0.225 0.000 0.850 922 V CB 1.702 33.368 31.823 -0.262 0.000 0.992 922 V HN 1.043 nan 8.190 nan 0.000 0.426 923 T N 0.638 115.150 114.554 -0.070 0.000 3.034 923 T HA 0.108 4.460 4.350 0.003 0.000 0.248 923 T C 1.359 176.049 174.700 -0.016 0.000 1.040 923 T CA 0.456 62.532 62.100 -0.040 0.000 1.107 923 T CB 0.372 69.219 68.868 -0.034 0.000 0.932 923 T HN 0.492 nan 8.240 nan 0.000 0.474 924 K N 0.580 120.976 120.400 -0.007 0.000 2.273 924 K HA 0.308 4.630 4.320 0.003 0.000 0.206 924 K C 0.288 176.902 176.600 0.022 0.000 1.072 924 K CA 0.310 56.602 56.287 0.008 0.000 0.953 924 K CB 0.697 33.203 32.500 0.009 0.000 1.043 924 K HN 0.263 nan 8.250 nan 0.000 0.477 925 S N -0.489 115.230 115.700 0.030 0.000 2.543 925 S HA 0.679 5.151 4.470 0.003 0.000 0.271 925 S C -2.005 172.642 174.600 0.077 0.000 1.148 925 S CA -0.637 57.596 58.200 0.055 0.000 0.914 925 S CB 1.898 65.131 63.200 0.054 0.000 1.096 925 S HN 0.305 nan 8.310 nan 0.000 0.471 926 A N 2.742 125.633 122.820 0.117 0.000 2.381 926 A HA 0.847 5.168 4.320 0.003 0.000 0.299 926 A C -0.374 177.345 177.584 0.225 0.000 1.049 926 A CA -0.589 51.557 52.037 0.181 0.000 0.715 926 A CB 1.872 21.002 19.000 0.217 0.000 1.222 926 A HN 0.878 nan 8.150 nan 0.000 0.428 927 T N 0.662 115.390 114.554 0.289 0.000 2.894 927 T HA 0.805 5.156 4.350 0.003 0.000 0.309 927 T C -0.069 174.822 174.700 0.318 0.000 1.208 927 T CA 0.923 63.174 62.100 0.251 0.000 1.016 927 T CB 1.356 70.313 68.868 0.147 0.000 1.192 927 T HN 2.720 nan 8.240 nan 0.000 0.491 928 G N 2.867 111.726 108.800 0.099 0.000 2.331 928 G HA2 0.063 4.024 3.960 0.003 0.000 0.479 928 G HA3 0.063 4.024 3.960 0.003 0.000 0.479 928 G C -1.685 172.881 174.900 -0.557 0.000 1.262 928 G CA -0.837 44.115 45.100 -0.246 0.000 1.029 928 G HN 0.895 nan 8.290 nan 0.000 0.487 929 N N -0.166 117.960 118.700 -0.957 0.000 2.442 929 N HA 0.698 5.439 4.740 0.003 0.000 0.274 929 N C -1.411 173.536 175.510 -0.937 0.000 1.002 929 N CA -0.368 52.267 53.050 -0.691 0.000 0.910 929 N CB 1.360 39.621 38.487 -0.377 0.000 1.244 929 N HN 0.389 nan 8.380 nan 0.000 0.492 930 F N 0.102 119.992 119.950 -0.100 0.000 2.540 930 F HA 0.469 4.998 4.527 0.004 0.000 0.317 930 F C 0.566 176.290 175.800 -0.127 0.000 1.104 930 F CA -0.895 57.063 58.000 -0.070 0.000 0.913 930 F CB 2.188 41.211 39.000 0.039 0.000 1.170 930 F HN 0.126 nan 8.300 nan 0.000 0.450 931 T N 4.375 118.972 114.554 0.071 0.000 2.824 931 T HA 0.681 5.033 4.350 0.003 0.000 0.280 931 T C -0.806 173.917 174.700 0.038 0.000 0.995 931 T CA -0.552 61.536 62.100 -0.019 0.000 1.009 931 T CB 0.404 69.219 68.868 -0.090 0.000 0.955 931 T HN 0.493 nan 8.240 nan 0.000 0.452 932 L N 5.474 126.699 121.223 0.003 0.000 2.276 932 L HA 0.446 4.788 4.340 0.003 0.000 0.286 932 L C 0.351 177.208 176.870 -0.022 0.000 1.024 932 L CA -0.882 54.006 54.840 0.080 0.000 0.826 932 L CB 1.267 43.298 42.059 -0.047 0.000 1.211 932 L HN 0.465 nan 8.230 nan 0.000 0.422 933 Q N 3.649 123.413 119.800 -0.061 0.000 2.296 933 Q HA 0.391 4.733 4.340 0.003 0.000 0.257 933 Q C -0.690 175.335 176.000 0.041 0.000 0.942 933 Q CA -0.343 55.385 55.803 -0.126 0.000 0.939 933 Q CB 2.762 31.304 28.738 -0.327 0.000 1.198 933 Q HN 0.372 nan 8.270 nan 0.000 0.429 934 V N 1.786 121.657 119.914 -0.072 0.000 2.409 934 V HA 0.533 4.655 4.120 0.003 0.000 0.291 934 V C -0.338 175.717 176.094 -0.066 0.000 1.020 934 V CA -0.833 61.483 62.300 0.026 0.000 0.848 934 V CB 1.616 33.507 31.823 0.114 0.000 0.990 934 V HN 0.778 nan 8.190 nan 0.000 0.430 935 A N 3.528 126.411 122.820 0.104 0.000 2.280 935 A HA 0.627 4.949 4.320 0.003 0.000 0.320 935 A C -0.427 177.281 177.584 0.206 0.000 1.366 935 A CA -0.394 51.705 52.037 0.104 0.000 0.938 935 A CB 0.375 19.451 19.000 0.126 0.000 1.157 935 A HN 0.857 nan 8.150 nan 0.000 0.536 936 D N 1.596 122.149 120.400 0.254 0.000 2.253 936 D HA 0.276 4.918 4.640 0.003 0.000 0.249 936 D C 1.219 177.650 176.300 0.219 0.000 1.049 936 D CA -0.378 53.803 54.000 0.301 0.000 0.929 936 D CB 1.054 42.123 40.800 0.449 0.000 1.176 936 D HN 0.444 nan 8.370 nan 0.000 0.437 937 K N -0.026 120.499 120.400 0.207 0.000 2.113 937 K HA -0.165 4.157 4.320 0.003 0.000 0.208 937 K C 1.225 177.903 176.600 0.131 0.000 1.047 937 K CA 2.126 58.510 56.287 0.162 0.000 0.928 937 K CB 0.123 32.718 32.500 0.158 0.000 0.716 937 K HN 0.677 nan 8.250 nan 0.000 0.446 938 T N -7.118 107.520 114.554 0.139 0.000 3.236 938 T HA 0.180 4.532 4.350 0.003 0.000 0.265 938 T C 1.147 175.884 174.700 0.062 0.000 0.912 938 T CA 0.537 62.695 62.100 0.096 0.000 0.946 938 T CB 0.684 69.605 68.868 0.087 0.000 1.241 938 T HN 0.217 nan 8.240 nan 0.000 0.513 939 G N 1.955 110.795 108.800 0.066 0.000 2.143 939 G HA2 -0.246 3.716 3.960 0.003 0.000 0.248 939 G HA3 -0.246 3.716 3.960 0.003 0.000 0.248 939 G C -0.182 174.615 174.900 -0.172 0.000 0.991 939 G CA 0.351 45.305 45.100 -0.244 0.000 0.689 939 G HN 0.797 nan 8.290 nan 0.000 0.522 940 E N 0.836 121.074 120.200 0.062 0.000 2.459 940 E HA 0.217 4.569 4.350 0.003 0.000 0.264 940 E C -1.960 174.723 176.600 0.139 0.000 1.055 940 E CA -0.857 55.591 56.400 0.080 0.000 0.957 940 E CB 0.396 30.154 29.700 0.096 0.000 0.952 940 E HN 0.216 nan 8.360 nan 0.000 0.448 941 P HA -0.014 nan 4.420 nan 0.000 0.268 941 P C -0.738 176.606 177.300 0.074 0.000 1.204 941 P CA 0.352 63.501 63.100 0.082 0.000 0.768 941 P CB 0.923 32.645 31.700 0.037 0.000 0.842 942 T N 1.265 115.851 114.554 0.055 0.000 2.886 942 T HA 0.304 4.655 4.350 0.003 0.000 0.330 942 T C 0.169 174.863 174.700 -0.010 0.000 1.488 942 T CA -0.634 61.474 62.100 0.013 0.000 1.054 942 T CB 1.017 69.883 68.868 -0.003 0.000 1.348 942 T HN 0.063 nan 8.240 nan 0.000 0.489 943 K N 1.473 121.866 120.400 -0.012 0.000 2.404 943 K HA 0.328 4.650 4.320 0.003 0.000 0.194 943 K C 0.541 177.123 176.600 -0.031 0.000 1.023 943 K CA -0.125 56.154 56.287 -0.014 0.000 1.094 943 K CB 0.144 32.638 32.500 -0.011 0.000 0.841 943 K HN 0.389 nan 8.250 nan 0.000 0.523 944 N N 2.349 121.020 118.700 -0.047 0.000 2.492 944 N HA -0.001 4.741 4.740 0.003 0.000 0.260 944 N C -0.607 174.857 175.510 -0.077 0.000 1.215 944 N CA 0.540 53.554 53.050 -0.061 0.000 0.923 944 N CB 0.596 39.042 38.487 -0.068 0.000 1.092 944 N HN 0.124 nan 8.380 nan 0.000 0.448 945 E N 0.837 121.001 120.200 -0.061 0.000 2.222 945 E HA 0.447 4.799 4.350 0.003 0.000 0.267 945 E C -0.897 175.670 176.600 -0.055 0.000 0.884 945 E CA -0.863 55.508 56.400 -0.049 0.000 0.764 945 E CB 2.455 32.133 29.700 -0.036 0.000 1.169 945 E HN 0.227 nan 8.360 nan 0.000 0.413 946 L N 1.479 122.667 121.223 -0.058 0.000 2.376 946 L HA 0.331 4.673 4.340 0.003 0.000 0.275 946 L C -0.686 176.169 176.870 -0.025 0.000 0.987 946 L CA -0.172 54.636 54.840 -0.053 0.000 0.828 946 L CB 2.040 44.050 42.059 -0.081 0.000 1.249 946 L HN 0.381 nan 8.230 nan 0.000 0.409 947 T N 6.376 120.925 114.554 -0.008 0.000 2.817 947 T HA 0.230 4.582 4.350 0.003 0.000 0.295 947 T C 1.419 176.143 174.700 0.040 0.000 0.958 947 T CA 0.136 62.251 62.100 0.024 0.000 1.157 947 T CB 0.300 69.180 68.868 0.021 0.000 0.898 947 T HN 0.566 nan 8.240 nan 0.000 0.536 948 L N 2.275 123.532 121.223 0.057 0.000 2.316 948 L HA 0.415 4.757 4.340 0.003 0.000 0.207 948 L C 0.365 177.369 176.870 0.224 0.000 1.070 948 L CA 0.495 55.367 54.840 0.054 0.000 0.820 948 L CB 0.265 42.157 42.059 -0.277 0.000 0.992 948 L HN 0.539 nan 8.230 nan 0.000 0.466 949 F N 0.815 120.784 119.950 0.031 0.000 2.941 949 F HA 0.307 4.837 4.527 0.003 0.000 0.359 949 F C -1.170 174.689 175.800 0.098 0.000 1.231 949 F CA -1.025 56.977 58.000 0.002 0.000 1.089 949 F CB 1.110 40.044 39.000 -0.110 0.000 1.407 949 F HN -0.233 nan 8.300 nan 0.000 0.538 950 D N 4.943 125.297 120.400 -0.076 0.000 2.454 950 D HA 0.489 5.131 4.640 0.003 0.000 0.225 950 D C -0.211 176.048 176.300 -0.068 0.000 1.081 950 D CA -0.012 53.993 54.000 0.009 0.000 0.864 950 D CB 1.761 42.543 40.800 -0.031 0.000 1.040 950 D HN 0.582 nan 8.370 nan 0.000 0.517 951 A N 2.748 125.631 122.820 0.106 0.000 2.637 951 A HA 0.150 4.472 4.320 0.003 0.000 0.293 951 A C 1.596 179.228 177.584 0.079 0.000 1.216 951 A CA 0.094 52.181 52.037 0.084 0.000 0.956 951 A CB -0.163 18.995 19.000 0.263 0.000 1.174 951 A HN 0.447 nan 8.150 nan 0.000 0.525 952 S N -0.133 115.591 115.700 0.040 0.000 2.428 952 S HA -0.144 4.327 4.470 0.003 0.000 0.230 952 S C 1.128 175.733 174.600 0.008 0.000 1.014 952 S CA 1.519 59.729 58.200 0.016 0.000 0.957 952 S CB -0.582 62.613 63.200 -0.008 0.000 0.784 952 S HN 0.654 nan 8.310 nan 0.000 0.499 953 N N 1.503 120.204 118.700 0.002 0.000 2.412 953 N HA 0.388 5.129 4.740 0.003 0.000 0.184 953 N C 0.344 175.859 175.510 0.008 0.000 1.101 953 N CA 0.377 53.426 53.050 -0.001 0.000 0.881 953 N CB 0.139 38.620 38.487 -0.011 0.000 0.969 953 N HN 0.536 nan 8.380 nan 0.000 0.459 954 A N 0.683 123.514 122.820 0.019 0.000 2.279 954 A HA 0.414 4.736 4.320 0.003 0.000 0.303 954 A C 0.459 178.070 177.584 0.046 0.000 1.108 954 A CA -0.621 51.434 52.037 0.031 0.000 0.830 954 A CB 0.224 19.246 19.000 0.038 0.000 1.106 954 A HN 0.227 nan 8.150 nan 0.000 0.493 955 T N -0.682 113.901 114.554 0.047 0.000 2.884 955 T HA 0.465 4.817 4.350 0.003 0.000 0.298 955 T C 0.000 174.748 174.700 0.079 0.000 0.998 955 T CA -0.307 61.825 62.100 0.054 0.000 1.124 955 T CB 0.344 69.239 68.868 0.045 0.000 0.931 955 T HN 0.547 nan 8.240 nan 0.000 0.531 956 R N 2.953 123.505 120.500 0.086 0.000 2.983 956 R HA 0.248 4.590 4.340 0.003 0.000 0.300 956 R C -0.654 175.709 176.300 0.104 0.000 1.367 956 R CA -0.450 55.722 56.100 0.120 0.000 1.564 956 R CB 0.063 30.449 30.300 0.143 0.000 1.314 956 R HN 0.677 nan 8.270 nan 0.000 0.622 957 N N 0.909 119.664 118.700 0.091 0.000 2.458 957 N HA 0.095 4.837 4.740 0.003 0.000 0.270 957 N C -0.464 175.091 175.510 0.075 0.000 1.102 957 N CA -0.420 52.673 53.050 0.071 0.000 0.967 957 N CB 0.644 39.165 38.487 0.057 0.000 1.078 957 N HN 0.260 nan 8.380 nan 0.000 0.471 958 N N 0.093 118.829 118.700 0.060 0.000 2.727 958 N HA -0.219 4.523 4.740 0.003 0.000 0.249 958 N C -1.420 174.124 175.510 0.058 0.000 1.048 958 N CA 0.025 53.102 53.050 0.045 0.000 0.714 958 N CB -0.729 37.775 38.487 0.027 0.000 0.959 958 N HN 0.340 nan 8.380 nan 0.000 0.544 959 L N 0.779 122.058 121.223 0.095 0.000 2.275 959 L HA 0.561 4.903 4.340 0.003 0.000 0.288 959 L C -0.274 176.646 176.870 0.084 0.000 1.046 959 L CA -0.503 54.416 54.840 0.132 0.000 0.805 959 L CB 1.322 43.509 42.059 0.214 0.000 1.193 959 L HN 0.184 nan 8.230 nan 0.000 0.426 960 N N 4.047 122.755 118.700 0.012 0.000 2.448 960 N HA 0.533 5.275 4.740 0.003 0.000 0.279 960 N C -1.918 173.522 175.510 -0.116 0.000 1.025 960 N CA -0.392 52.637 53.050 -0.035 0.000 0.898 960 N CB 1.674 40.125 38.487 -0.059 0.000 1.303 960 N HN 0.325 nan 8.380 nan 0.000 0.495 961 V N 2.173 121.964 119.914 -0.205 0.000 2.448 961 V HA 0.602 4.724 4.120 0.003 0.000 0.295 961 V C -0.331 175.605 176.094 -0.263 0.000 1.025 961 V CA -0.621 61.422 62.300 -0.429 0.000 0.859 961 V CB 1.444 32.549 31.823 -1.197 0.000 0.988 961 V HN 0.713 nan 8.190 nan 0.000 0.431 962 S N 4.539 120.129 115.700 -0.183 0.000 2.513 962 S HA 0.708 5.180 4.470 0.003 0.000 0.299 962 S C -0.796 173.760 174.600 -0.073 0.000 1.087 962 S CA -0.495 57.653 58.200 -0.087 0.000 1.012 962 S CB 1.887 65.050 63.200 -0.061 0.000 1.044 962 S HN 0.627 nan 8.310 nan 0.000 0.485 963 L N 3.911 125.126 121.223 -0.013 0.000 2.289 963 L HA 0.729 5.071 4.340 0.003 0.000 0.285 963 L C -1.147 175.751 176.870 0.047 0.000 1.049 963 L CA -0.105 54.752 54.840 0.028 0.000 0.804 963 L CB 0.970 43.094 42.059 0.108 0.000 1.195 963 L HN 0.445 nan 8.230 nan 0.000 0.428 964 V N 4.448 124.351 119.914 -0.019 0.000 2.588 964 V HA 0.634 4.756 4.120 0.003 0.000 0.304 964 V C 0.561 176.460 176.094 -0.325 0.000 1.042 964 V CA -0.506 61.736 62.300 -0.095 0.000 0.877 964 V CB 1.601 33.356 31.823 -0.112 0.000 0.996 964 V HN 0.939 nan 8.190 nan 0.000 0.425 965 G N 1.692 110.101 108.800 -0.651 0.000 2.380 965 G HA2 0.241 4.203 3.960 0.003 0.000 0.262 965 G HA3 0.241 4.203 3.960 0.003 0.000 0.262 965 G C 0.236 174.618 174.900 -0.863 0.000 1.243 965 G CA -0.157 43.906 45.100 -1.727 0.000 0.865 965 G HN 0.820 nan 8.290 nan 0.000 0.513 966 N N 1.251 119.527 118.700 -0.708 0.000 2.305 966 N HA 0.042 4.784 4.740 0.003 0.000 0.248 966 N C -0.104 175.281 175.510 -0.210 0.000 1.290 966 N CA -0.231 52.645 53.050 -0.290 0.000 0.873 966 N CB 0.588 39.014 38.487 -0.101 0.000 1.261 966 N HN 0.392 nan 8.380 nan 0.000 0.504 967 T N 0.136 114.498 114.554 -0.320 0.000 2.897 967 T HA 0.095 4.447 4.350 0.003 0.000 0.294 967 T C 1.903 176.579 174.700 -0.040 0.000 1.004 967 T CA -0.431 61.611 62.100 -0.096 0.000 1.106 967 T CB 2.232 71.121 68.868 0.036 0.000 0.949 967 T HN -0.126 nan 8.240 nan 0.000 0.520 968 V N 1.824 121.744 119.914 0.011 0.000 2.287 968 V HA -0.128 3.993 4.120 0.003 0.000 0.248 968 V C 1.202 177.305 176.094 0.015 0.000 1.053 968 V CA 1.670 63.978 62.300 0.014 0.000 1.027 968 V CB -0.368 31.472 31.823 0.029 0.000 0.646 968 V HN 0.865 nan 8.190 nan 0.000 0.447 969 D N 0.083 120.501 120.400 0.030 0.000 2.393 969 D HA 0.162 4.804 4.640 0.003 0.000 0.232 969 D C 0.987 177.316 176.300 0.047 0.000 1.192 969 D CA -0.149 53.871 54.000 0.033 0.000 0.882 969 D CB 0.589 41.410 40.800 0.035 0.000 1.038 969 D HN -0.108 nan 8.370 nan 0.000 0.499 970 L N 3.505 124.750 121.223 0.037 0.000 2.042 970 L HA -0.045 4.297 4.340 0.003 0.000 0.210 970 L C 2.218 179.141 176.870 0.088 0.000 1.076 970 L CA 1.856 56.728 54.840 0.053 0.000 0.749 970 L CB -1.305 40.770 42.059 0.027 0.000 0.893 970 L HN 0.623 nan 8.230 nan 0.000 0.432 971 G N -1.147 107.686 108.800 0.054 0.000 2.509 971 G HA2 -0.097 3.865 3.960 0.003 0.000 0.218 971 G HA3 -0.097 3.865 3.960 0.003 0.000 0.218 971 G C 1.591 176.510 174.900 0.030 0.000 1.124 971 G CA 0.744 45.869 45.100 0.040 0.000 0.776 971 G HN 0.493 nan 8.290 nan 0.000 0.547 972 A N -0.473 122.371 122.820 0.040 0.000 2.123 972 A HA 0.169 4.491 4.320 0.003 0.000 0.214 972 A C 1.093 178.651 177.584 -0.044 0.000 1.152 972 A CA -0.387 51.648 52.037 -0.002 0.000 0.728 972 A CB -0.263 18.741 19.000 0.007 0.000 0.814 972 A HN 0.485 nan 8.150 nan 0.000 0.464 973 W N 1.459 122.658 121.300 -0.168 0.000 2.485 973 W HA 0.304 4.965 4.660 0.002 0.000 0.315 973 W C -0.420 175.975 176.519 -0.207 0.000 1.304 973 W CA 0.120 57.326 57.345 -0.232 0.000 1.345 973 W CB 0.362 29.735 29.460 -0.145 0.000 1.368 973 W HN 0.150 nan 8.180 nan 0.000 0.497 974 K N 4.925 124.741 120.400 -0.973 0.000 2.517 974 K HA 0.022 4.343 4.320 0.003 0.000 0.210 974 K C -0.502 175.673 176.600 -0.709 0.000 1.166 974 K CA -0.332 55.554 56.287 -0.669 0.000 1.030 974 K CB 0.568 32.854 32.500 -0.358 0.000 0.974 974 K HN 0.143 nan 8.250 nan 0.000 0.585 975 Y N 1.890 121.397 120.300 -1.321 0.000 2.379 975 Y HA 0.215 4.767 4.550 0.003 0.000 0.337 975 Y C 0.815 176.263 175.900 -0.754 0.000 1.238 975 Y CA -0.646 56.830 58.100 -1.040 0.000 1.405 975 Y CB 0.377 38.173 38.460 -1.106 0.000 1.310 975 Y HN -0.263 nan 8.280 nan 0.000 0.569 976 K N 1.220 121.287 120.400 -0.554 0.000 2.409 976 K HA 0.563 4.885 4.320 0.003 0.000 0.252 976 K C -1.703 174.720 176.600 -0.296 0.000 1.036 976 K CA -1.193 54.837 56.287 -0.429 0.000 0.871 976 K CB 2.423 34.597 32.500 -0.543 0.000 1.374 976 K HN 0.462 nan 8.250 nan 0.000 0.459 977 L N 1.161 122.394 121.223 0.017 0.000 2.325 977 L HA 0.457 4.799 4.340 0.003 0.000 0.281 977 L C -0.487 176.573 176.870 0.316 0.000 1.004 977 L CA -0.339 54.609 54.840 0.181 0.000 0.823 977 L CB 1.399 43.548 42.059 0.149 0.000 1.236 977 L HN 0.520 nan 8.230 nan 0.000 0.415 978 R N 3.341 124.041 120.500 0.332 0.000 2.294 978 R HA 0.380 4.722 4.340 0.003 0.000 0.319 978 R C -0.694 175.605 176.300 -0.002 0.000 0.984 978 R CA -0.558 55.624 56.100 0.137 0.000 0.861 978 R CB 0.782 31.035 30.300 -0.077 0.000 1.104 978 R HN 0.661 nan 8.270 nan 0.000 0.451 979 N N 4.438 123.077 118.700 -0.103 0.000 2.469 979 N HA 0.098 4.840 4.740 0.003 0.000 0.239 979 N C -1.301 174.037 175.510 -0.287 0.000 1.053 979 N CA -0.283 52.524 53.050 -0.404 0.000 0.937 979 N CB 1.250 39.508 38.487 -0.382 0.000 1.163 979 N HN 0.357 nan 8.380 nan 0.000 0.509 980 V N 4.678 124.428 119.914 -0.273 0.000 2.247 980 V HA 0.219 4.340 4.120 0.003 0.000 0.262 980 V C 0.161 176.154 176.094 -0.169 0.000 1.096 980 V CA -0.884 61.310 62.300 -0.178 0.000 0.895 980 V CB -0.549 31.194 31.823 -0.132 0.000 1.141 980 V HN 0.717 nan 8.190 nan 0.000 0.478 981 N N 3.953 122.561 118.700 -0.153 0.000 2.725 981 N HA -0.233 4.509 4.740 0.003 0.000 0.251 981 N C 1.219 176.667 175.510 -0.104 0.000 1.031 981 N CA 1.237 54.225 53.050 -0.104 0.000 0.720 981 N CB -1.045 37.403 38.487 -0.066 0.000 0.930 981 N HN 1.304 nan 8.380 nan 0.000 0.543 982 G N -0.672 108.011 108.800 -0.195 0.000 2.195 982 G HA2 -0.357 3.604 3.960 0.003 0.000 0.246 982 G HA3 -0.357 3.604 3.960 0.003 0.000 0.246 982 G C 0.029 174.884 174.900 -0.076 0.000 0.984 982 G CA 0.410 45.443 45.100 -0.111 0.000 0.633 982 G HN 0.632 nan 8.290 nan 0.000 0.525 983 R N 0.265 120.670 120.500 -0.157 0.000 2.207 983 R HA 0.558 4.900 4.340 0.003 0.000 0.334 983 R C -0.857 175.364 176.300 -0.130 0.000 1.013 983 R CA -0.615 55.461 56.100 -0.041 0.000 0.858 983 R CB 0.164 30.442 30.300 -0.037 0.000 1.094 983 R HN 0.216 nan 8.270 nan 0.000 0.457 984 Y N 2.944 123.302 120.300 0.096 0.000 2.367 984 Y HA 0.220 4.771 4.550 0.003 0.000 0.342 984 Y C -0.228 175.697 175.900 0.042 0.000 0.979 984 Y CA -0.568 57.573 58.100 0.068 0.000 1.161 984 Y CB 1.344 39.843 38.460 0.065 0.000 1.155 984 Y HN 0.469 nan 8.280 nan 0.000 0.503 985 D N 3.162 123.642 120.400 0.134 0.000 2.278 985 D HA 0.252 4.894 4.640 0.003 0.000 0.245 985 D C -0.976 175.401 176.300 0.128 0.000 1.052 985 D CA -0.642 53.409 54.000 0.086 0.000 0.834 985 D CB 2.326 43.144 40.800 0.030 0.000 1.194 985 D HN 0.334 nan 8.370 nan 0.000 0.481 986 L N 3.873 125.122 121.223 0.043 0.000 2.331 986 L HA 0.356 4.698 4.340 0.003 0.000 0.278 986 L C -0.999 175.853 176.870 -0.030 0.000 1.106 986 L CA 0.015 54.842 54.840 -0.022 0.000 0.824 986 L CB -0.114 41.885 42.059 -0.100 0.000 1.142 986 L HN 0.420 nan 8.230 nan 0.000 0.443 987 Y N 1.780 121.935 120.300 -0.242 0.000 2.655 987 Y HA 0.497 5.049 4.550 0.003 0.000 0.336 987 Y C -1.206 174.506 175.900 -0.314 0.000 1.154 987 Y CA -1.443 56.487 58.100 -0.284 0.000 1.055 987 Y CB 1.121 39.486 38.460 -0.158 0.000 1.295 987 Y HN 0.630 nan 8.280 nan 0.000 0.465 988 N N 2.305 120.873 118.700 -0.220 0.000 2.444 988 N HA 0.551 5.293 4.740 0.003 0.000 0.262 988 N C -2.696 172.836 175.510 0.037 0.000 0.974 988 N CA -1.743 51.226 53.050 -0.134 0.000 0.933 988 N CB 1.216 39.704 38.487 0.001 0.000 1.137 988 N HN 0.445 nan 8.380 nan 0.000 0.498 989 P HA 0.000 nan 4.420 nan 0.000 0.216 989 P CA 0.000 63.173 63.100 0.122 0.000 0.800 989 P CB 0.000 31.715 31.700 0.026 0.000 0.726