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 2b3x_1_A DATA FIRST_RESID 2 DATA SEQUENCE SNPFAHLAEP LDPVQPGKKF FNLNKLEDSR YGRLPFSIRV LLEAAIRNCD DATA SEQUENCE EFLVKKQDIE NILHWNVTQH KNIEVPFKPA RVILQDFTGV PAVVDFAAMR DATA SEQUENCE DAVKKLGGDP EKINPVCPAD LVIDHSIQVD FNRRADSLQK NQDLEFERNR DATA SEQUENCE ERFEFLKWGS QAFHNMRIIP PGSGIIHQVN LEYLARVVFD QDGYYYPDSL DATA SEQUENCE VGTDSHTTMI DGLGILGWGV GGIEAEAVML GQPISMVLPQ VIGYRLMGKP DATA SEQUENCE HPLVTSTDIV LTITKHLRQV GVVGKFVEFF GPGVAQLSIA DRATIANMCP DATA SEQUENCE EYGATAAFFP VDEVSITYLV QTGRDEEKLK YIKKYLQAVG MFRDFNDPSQ DATA SEQUENCE DPDFTQVVEL DLKTVVPCCS GPKRPQDKVA VSDMKKDFES CLGAKQGFKG DATA SEQUENCE FQVAPEHHND HKTFIYDNTE FTLAHGSVVI AAITSCTNTS NPSVMLGAGL DATA SEQUENCE LAKKAVDAGL NVMPYIKTSL SPGSGVVTYY LQESGVMPYL SQLGFDVVGY DATA SEQUENCE GCMTCIGNSG PLPEPVVEAI TQGDLVAVGV LSGNRNFEGR VHPNTRANYL DATA SEQUENCE ASPPLVIAYA IAGTIRIDFE KEPLGVNAKG QQVFLKDIWP TRDEIQAVER DATA SEQUENCE QYVIPGMFKE VYQKIETVNE SWNALATPSD KLFFWNSKST YIKSPPFFEN DATA SEQUENCE LTLDLQPPKS IVDAYVLLNL GDSVTTDHIS PAGNIARNSP AARYLTNRGL DATA SEQUENCE TPREFNSYGS RRGNDAVMAR GTFANIRLLN RFLNKQAPQT IHLPSGEILD DATA SEQUENCE VFDAAERYQQ AGLPLIVLAG KEYGAGSSRD WAAKGPFLLG IKAVLAESYE DATA SEQUENCE RIHRSNLVGM GVIPLEYLPG ENADALGLTG QERYTIIIPE NLKPQMKVQV DATA SEQUENCE KLDTGKTFQA VMRFDTDVEL TYFLNGGILN YMIRKMAK 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.606 174.600 0.010 0.000 1.055 2 S CA 0.000 58.205 58.200 0.009 0.000 1.107 2 S CB 0.000 63.204 63.200 0.006 0.000 0.593 3 N N 2.745 121.464 118.700 0.031 0.000 2.405 3 N HA 0.238 2.436 4.740 -4.236 0.000 0.260 3 N C -1.647 173.877 175.510 0.025 0.000 1.152 3 N CA -1.510 51.569 53.050 0.049 0.000 0.948 3 N CB 1.054 39.602 38.487 0.101 0.000 1.111 3 N HN 0.282 nan 8.380 nan 0.000 0.485 4 P HA 0.005 nan 4.420 nan 0.000 0.242 4 P C 0.156 177.234 177.300 -0.370 0.000 1.197 4 P CA 0.735 63.667 63.100 -0.279 0.000 0.765 4 P CB -0.076 31.346 31.700 -0.464 0.000 0.936 5 F N -0.894 119.138 119.950 0.137 0.000 2.654 5 F HA 0.406 2.390 4.527 -4.238 0.000 0.303 5 F C 2.213 178.141 175.800 0.215 0.000 1.099 5 F CA -0.292 57.794 58.000 0.144 0.000 1.270 5 F CB -0.264 38.742 39.000 0.010 0.000 1.024 5 F HN -0.132 nan 8.300 nan 0.000 0.548 6 A N 0.370 123.407 122.820 0.362 0.000 2.024 6 A HA -0.287 1.491 4.320 -4.236 0.000 0.220 6 A C 1.846 179.512 177.584 0.136 0.000 1.164 6 A CA 2.244 54.446 52.037 0.275 0.000 0.643 6 A CB -1.295 17.817 19.000 0.188 0.000 0.806 6 A HN 0.705 nan 8.150 nan 0.000 0.451 7 H N -1.389 117.743 119.070 0.103 0.000 2.543 7 H HA 0.134 2.148 4.556 -4.236 0.000 0.286 7 H C 1.404 176.757 175.328 0.040 0.000 1.037 7 H CA 1.213 57.291 56.048 0.049 0.000 1.250 7 H CB -0.397 29.388 29.762 0.038 0.000 1.373 7 H HN 0.405 nan 8.280 nan 0.000 0.580 8 L N 0.277 121.254 121.223 -0.410 0.000 2.313 8 L HA 0.200 1.998 4.340 -4.236 0.000 0.214 8 L C 1.330 178.024 176.870 -0.293 0.000 1.119 8 L CA 0.100 54.769 54.840 -0.285 0.000 0.809 8 L CB -0.305 41.705 42.059 -0.081 0.000 0.933 8 L HN 0.388 nan 8.230 nan 0.000 0.449 9 A N 1.837 124.432 122.820 -0.374 0.000 2.491 9 A HA 0.283 2.062 4.320 -4.236 0.000 0.261 9 A C 0.163 177.534 177.584 -0.355 0.000 1.101 9 A CA 0.075 51.788 52.037 -0.540 0.000 0.772 9 A CB -0.206 18.468 19.000 -0.544 0.000 1.043 9 A HN 0.470 nan 8.150 nan 0.000 0.501 10 E N 2.615 122.566 120.200 -0.415 0.000 2.413 10 E HA 0.595 2.403 4.350 -4.236 0.000 0.277 10 E C -3.180 173.341 176.600 -0.130 0.000 0.958 10 E CA -2.425 53.818 56.400 -0.261 0.000 0.779 10 E CB 1.708 31.261 29.700 -0.246 0.000 1.278 10 E HN 0.326 nan 8.360 nan 0.000 0.456 11 P HA -0.017 nan 4.420 nan 0.000 0.268 11 P C 0.392 177.890 177.300 0.329 0.000 1.204 11 P CA -0.341 62.833 63.100 0.123 0.000 0.768 11 P CB 0.981 32.718 31.700 0.062 0.000 0.842 12 L N 2.130 123.621 121.223 0.446 0.000 2.109 12 L HA 0.149 1.947 4.340 -4.236 0.000 0.207 12 L C 0.344 177.323 176.870 0.181 0.000 1.086 12 L CA 1.984 57.046 54.840 0.370 0.000 0.760 12 L CB -0.446 41.718 42.059 0.175 0.000 0.910 12 L HN 0.296 nan 8.230 nan 0.000 0.437 13 D N -2.118 118.373 120.400 0.152 0.000 2.736 13 D HA 0.273 2.371 4.640 -4.236 0.000 0.243 13 D C -2.048 174.297 176.300 0.075 0.000 1.304 13 D CA -1.893 52.161 54.000 0.091 0.000 0.934 13 D CB 1.983 42.828 40.800 0.075 0.000 1.382 13 D HN -0.210 nan 8.370 nan 0.000 0.571 14 P HA -0.186 nan 4.420 nan 0.000 0.218 14 P C 1.457 178.775 177.300 0.030 0.000 1.152 14 P CA 0.580 63.704 63.100 0.039 0.000 0.857 14 P CB 0.486 32.205 31.700 0.031 0.000 0.787 15 V N -0.279 119.654 119.914 0.032 0.000 2.548 15 V HA -0.099 1.480 4.120 -4.236 0.000 0.249 15 V C 0.993 177.102 176.094 0.026 0.000 1.055 15 V CA 1.352 63.668 62.300 0.025 0.000 1.065 15 V CB -0.677 31.160 31.823 0.023 0.000 0.681 15 V HN 0.215 nan 8.190 nan 0.000 0.462 16 Q N 0.990 120.814 119.800 0.039 0.000 2.626 16 Q HA 0.327 2.125 4.340 -4.236 0.000 0.239 16 Q C -2.270 173.745 176.000 0.025 0.000 1.101 16 Q CA -1.837 53.986 55.803 0.033 0.000 0.918 16 Q CB 0.861 29.630 28.738 0.052 0.000 1.151 16 Q HN 0.398 nan 8.270 nan 0.000 0.531 17 P HA -0.012 nan 4.420 nan 0.000 0.231 17 P C 1.091 178.362 177.300 -0.049 0.000 1.168 17 P CA 0.717 63.812 63.100 -0.009 0.000 0.779 17 P CB 0.180 31.874 31.700 -0.011 0.000 0.844 18 G N 0.147 108.905 108.800 -0.071 0.000 2.572 18 G HA2 -0.107 1.311 3.960 -4.236 0.000 0.216 18 G HA3 -0.107 1.311 3.960 -4.236 0.000 0.216 18 G C 0.680 175.454 174.900 -0.209 0.000 1.133 18 G CA 0.185 45.211 45.100 -0.125 0.000 0.791 18 G HN 0.190 nan 8.290 nan 0.000 0.538 19 K N 1.571 121.861 120.400 -0.183 0.000 2.231 19 K HA 0.380 2.158 4.320 -4.236 0.000 0.275 19 K C 0.171 176.656 176.600 -0.191 0.000 1.105 19 K CA 0.041 56.133 56.287 -0.325 0.000 0.931 19 K CB 0.707 33.036 32.500 -0.284 0.000 1.296 19 K HN 0.157 nan 8.250 nan 0.000 0.446 20 K N 2.120 122.309 120.400 -0.352 0.000 2.168 20 K HA 0.583 2.361 4.320 -4.236 0.000 0.239 20 K C -0.435 176.249 176.600 0.140 0.000 0.999 20 K CA -0.989 55.192 56.287 -0.177 0.000 0.900 20 K CB 1.056 33.252 32.500 -0.506 0.000 1.111 20 K HN 0.423 nan 8.250 nan 0.000 0.452 21 F N -1.857 118.129 119.950 0.061 0.000 2.631 21 F HA 0.459 2.443 4.527 -4.238 0.000 0.308 21 F C -1.307 174.580 175.800 0.146 0.000 1.097 21 F CA -1.390 56.786 58.000 0.292 0.000 0.952 21 F CB 0.703 40.047 39.000 0.573 0.000 1.307 21 F HN 0.229 nan 8.300 nan 0.000 0.450 22 F N 2.710 122.811 119.950 0.253 0.000 2.494 22 F HA 0.189 2.173 4.527 -4.239 0.000 0.351 22 F C 0.839 176.601 175.800 -0.063 0.000 1.205 22 F CA -0.160 57.846 58.000 0.010 0.000 1.125 22 F CB -0.061 38.975 39.000 0.060 0.000 1.268 22 F HN 0.511 nan 8.300 nan 0.000 0.593 23 N N 4.016 122.526 118.700 -0.318 0.000 2.406 23 N HA -0.007 2.191 4.740 -4.236 0.000 0.269 23 N C 0.870 176.334 175.510 -0.077 0.000 1.210 23 N CA 0.092 53.036 53.050 -0.175 0.000 0.966 23 N CB 0.445 38.724 38.487 -0.348 0.000 1.293 23 N HN 0.487 nan 8.380 nan 0.000 0.491 24 L N 3.808 124.986 121.223 -0.075 0.000 2.141 24 L HA -0.049 1.749 4.340 -4.236 0.000 0.209 24 L C 1.574 178.163 176.870 -0.468 0.000 1.094 24 L CA 1.244 55.860 54.840 -0.372 0.000 0.763 24 L CB -0.678 41.011 42.059 -0.617 0.000 0.908 24 L HN 0.587 nan 8.230 nan 0.000 0.437 25 N N -0.805 117.765 118.700 -0.217 0.000 2.272 25 N HA -0.230 1.968 4.740 -4.236 0.000 0.185 25 N C 1.501 176.986 175.510 -0.042 0.000 1.014 25 N CA 0.739 53.754 53.050 -0.058 0.000 0.870 25 N CB -0.049 38.482 38.487 0.074 0.000 0.975 25 N HN 0.131 nan 8.380 nan 0.000 0.433 26 K N 0.200 120.564 120.400 -0.059 0.000 2.525 26 K HA 0.099 1.877 4.320 -4.236 0.000 0.192 26 K C 1.002 177.600 176.600 -0.002 0.000 1.029 26 K CA 0.061 56.335 56.287 -0.023 0.000 1.029 26 K CB 0.062 32.536 32.500 -0.043 0.000 0.814 26 K HN 0.025 nan 8.250 nan 0.000 0.503 27 L N 1.339 122.530 121.223 -0.053 0.000 2.261 27 L HA -0.139 1.659 4.340 -4.236 0.000 0.216 27 L C 0.013 176.908 176.870 0.041 0.000 1.114 27 L CA 1.456 56.294 54.840 -0.004 0.000 0.777 27 L CB -0.528 41.474 42.059 -0.094 0.000 0.910 27 L HN 0.298 nan 8.230 nan 0.000 0.440 28 E N 0.604 120.822 120.200 0.030 0.000 2.269 28 E HA -0.258 1.550 4.350 -4.236 0.000 0.223 28 E C -0.001 176.629 176.600 0.050 0.000 1.244 28 E CA 0.705 57.132 56.400 0.046 0.000 0.713 28 E CB -1.691 28.040 29.700 0.051 0.000 1.178 28 E HN 0.476 nan 8.360 nan 0.000 0.370 29 D N -0.408 120.025 120.400 0.055 0.000 2.492 29 D HA 0.221 2.320 4.640 -4.236 0.000 0.248 29 D C 1.014 177.370 176.300 0.093 0.000 1.101 29 D CA 0.241 54.282 54.000 0.067 0.000 0.840 29 D CB 1.018 41.857 40.800 0.065 0.000 1.209 29 D HN -0.005 nan 8.370 nan 0.000 0.524 30 S N 3.431 119.174 115.700 0.072 0.000 2.453 30 S HA -0.101 1.827 4.470 -4.236 0.000 0.231 30 S C 1.647 176.284 174.600 0.060 0.000 1.005 30 S CA 0.403 58.641 58.200 0.063 0.000 0.949 30 S CB 0.095 63.321 63.200 0.043 0.000 0.774 30 S HN 0.464 nan 8.310 nan 0.000 0.510 31 R N -0.182 120.364 120.500 0.077 0.000 2.096 31 R HA -0.074 1.724 4.340 -4.236 0.000 0.235 31 R C 2.163 178.496 176.300 0.056 0.000 1.127 31 R CA 1.543 57.688 56.100 0.076 0.000 0.968 31 R CB -0.632 29.736 30.300 0.114 0.000 0.861 31 R HN 0.551 nan 8.270 nan 0.000 0.440 32 Y N 0.946 121.223 120.300 -0.038 0.000 2.081 32 Y HA -0.203 1.805 4.550 -4.237 0.000 0.280 32 Y C 2.208 178.021 175.900 -0.145 0.000 1.163 32 Y CA 1.818 59.866 58.100 -0.087 0.000 1.135 32 Y CB -0.802 37.615 38.460 -0.071 0.000 0.970 32 Y HN 0.057 nan 8.280 nan 0.000 0.498 33 G N -0.482 108.181 108.800 -0.228 0.000 2.708 33 G HA2 -0.144 1.274 3.960 -4.236 0.000 0.210 33 G HA3 -0.144 1.274 3.960 -4.236 0.000 0.210 33 G C 1.581 176.287 174.900 -0.325 0.000 1.141 33 G CA 0.346 45.245 45.100 -0.334 0.000 0.788 33 G HN 0.417 nan 8.290 nan 0.000 0.531 34 R N -0.953 119.383 120.500 -0.274 0.000 2.437 34 R HA 0.303 2.101 4.340 -4.236 0.000 0.257 34 R C 0.279 176.382 176.300 -0.329 0.000 0.927 34 R CA -0.396 55.559 56.100 -0.243 0.000 1.078 34 R CB 0.277 30.507 30.300 -0.116 0.000 1.161 34 R HN 0.252 nan 8.270 nan 0.000 0.529 35 L N 3.048 124.017 121.223 -0.422 0.000 2.456 35 L HA 0.139 1.937 4.340 -4.236 0.000 0.272 35 L C -2.061 174.416 176.870 -0.654 0.000 1.189 35 L CA -1.784 52.753 54.840 -0.506 0.000 0.846 35 L CB 0.244 42.014 42.059 -0.481 0.000 1.111 35 L HN -0.264 nan 8.230 nan 0.000 0.475 36 P HA -0.056 nan 4.420 nan 0.000 0.266 36 P C 0.186 177.295 177.300 -0.319 0.000 1.193 36 P CA 0.147 62.970 63.100 -0.461 0.000 0.770 36 P CB 0.347 31.743 31.700 -0.506 0.000 0.836 37 F N 0.662 120.535 119.950 -0.128 0.000 2.293 37 F HA -0.175 1.809 4.527 -4.237 0.000 0.300 37 F C 2.468 178.163 175.800 -0.175 0.000 1.086 37 F CA 1.883 59.866 58.000 -0.028 0.000 1.375 37 F CB -1.197 37.934 39.000 0.219 0.000 1.045 37 F HN 0.278 nan 8.300 nan 0.000 0.516 38 S N 0.107 115.666 115.700 -0.234 0.000 2.382 38 S HA -0.160 1.768 4.470 -4.236 0.000 0.228 38 S C 1.987 176.422 174.600 -0.275 0.000 1.027 38 S CA 1.105 58.935 58.200 -0.618 0.000 0.991 38 S CB -0.674 62.254 63.200 -0.454 0.000 0.823 38 S HN 0.216 nan 8.310 nan 0.000 0.469 39 I N 2.345 122.744 120.570 -0.285 0.000 2.439 39 I HA 0.019 1.647 4.170 -4.236 0.000 0.251 39 I C 2.699 178.699 176.117 -0.196 0.000 1.139 39 I CA 0.846 61.959 61.300 -0.311 0.000 1.438 39 I CB -1.247 36.379 38.000 -0.623 0.000 1.085 39 I HN 0.314 nan 8.210 nan 0.000 0.427 40 R N 0.222 120.604 120.500 -0.197 0.000 2.105 40 R HA -0.135 1.663 4.340 -4.236 0.000 0.239 40 R C 2.314 178.648 176.300 0.057 0.000 1.135 40 R CA 1.191 57.260 56.100 -0.051 0.000 0.967 40 R CB -0.322 29.890 30.300 -0.145 0.000 0.861 40 R HN 0.219 nan 8.270 nan 0.000 0.442 41 V N 1.277 121.204 119.914 0.020 0.000 2.379 41 V HA -0.191 1.387 4.120 -4.236 0.000 0.245 41 V C 2.318 178.452 176.094 0.066 0.000 1.044 41 V CA 1.435 63.788 62.300 0.090 0.000 1.036 41 V CB -0.395 31.470 31.823 0.070 0.000 0.664 41 V HN 0.275 nan 8.190 nan 0.000 0.453 42 L N -0.615 120.580 121.223 -0.046 0.000 2.013 42 L HA -0.232 1.566 4.340 -4.236 0.000 0.212 42 L C 2.522 179.408 176.870 0.026 0.000 1.073 42 L CA 1.525 56.335 54.840 -0.050 0.000 0.753 42 L CB -0.673 41.316 42.059 -0.117 0.000 0.890 42 L HN 0.348 nan 8.230 nan 0.000 0.432 43 L N -0.066 121.158 121.223 0.002 0.000 2.042 43 L HA -0.241 1.557 4.340 -4.236 0.000 0.210 43 L C 2.601 179.444 176.870 -0.045 0.000 1.076 43 L CA 1.852 56.683 54.840 -0.015 0.000 0.749 43 L CB -0.720 41.349 42.059 0.017 0.000 0.893 43 L HN 0.246 nan 8.230 nan 0.000 0.432 44 E N -0.117 120.098 120.200 0.025 0.000 2.051 44 E HA -0.203 1.605 4.350 -4.236 0.000 0.192 44 E C 2.094 178.677 176.600 -0.029 0.000 0.991 44 E CA 1.321 57.736 56.400 0.025 0.000 0.799 44 E CB -0.178 29.631 29.700 0.182 0.000 0.748 44 E HN 0.580 nan 8.360 nan 0.000 0.449 45 A N 1.271 124.124 122.820 0.054 0.000 1.908 45 A HA -0.151 1.627 4.320 -4.236 0.000 0.218 45 A C 2.432 179.980 177.584 -0.060 0.000 1.181 45 A CA 2.423 54.479 52.037 0.031 0.000 0.627 45 A CB -0.709 18.441 19.000 0.250 0.000 0.818 45 A HN 0.361 nan 8.150 nan 0.000 0.445 46 A N -0.345 122.453 122.820 -0.037 0.000 1.873 46 A HA -0.023 1.755 4.320 -4.236 0.000 0.215 46 A C 2.150 179.628 177.584 -0.177 0.000 1.186 46 A CA 1.417 53.412 52.037 -0.070 0.000 0.616 46 A CB -0.540 18.439 19.000 -0.034 0.000 0.823 46 A HN 0.479 nan 8.150 nan 0.000 0.442 47 I N -1.070 119.315 120.570 -0.309 0.000 2.179 47 I HA -0.246 1.382 4.170 -4.236 0.000 0.242 47 I C 2.748 178.495 176.117 -0.617 0.000 1.088 47 I CA 1.691 62.680 61.300 -0.518 0.000 1.357 47 I CB -0.227 37.361 38.000 -0.688 0.000 1.051 47 I HN 0.352 nan 8.210 nan 0.000 0.409 48 R N 0.831 120.891 120.500 -0.733 0.000 2.115 48 R HA -0.116 1.682 4.340 -4.236 0.000 0.230 48 R C 1.465 177.479 176.300 -0.476 0.000 1.111 48 R CA 1.309 56.869 56.100 -0.900 0.000 0.976 48 R CB -0.015 29.917 30.300 -0.613 0.000 0.870 48 R HN 0.373 nan 8.270 nan 0.000 0.445 49 N N -0.284 118.230 118.700 -0.309 0.000 2.280 49 N HA -0.023 2.175 4.740 -4.236 0.000 0.192 49 N C -0.489 174.964 175.510 -0.096 0.000 1.109 49 N CA 0.076 53.014 53.050 -0.187 0.000 0.855 49 N CB 0.105 38.497 38.487 -0.157 0.000 0.974 49 N HN 0.132 nan 8.380 nan 0.000 0.482 50 C N 3.084 122.338 119.300 -0.075 0.000 2.662 50 C HA 0.016 1.934 4.460 -4.236 0.000 0.402 50 C C 1.279 176.283 174.990 0.024 0.000 1.397 50 C CA -0.181 58.852 59.018 0.024 0.000 1.575 50 C CB -0.802 27.031 27.740 0.155 0.000 2.406 50 C HN 0.468 nan 8.230 nan 0.000 0.609 51 D N 1.515 121.937 120.400 0.037 0.000 2.473 51 D HA 0.084 2.183 4.640 -4.236 0.000 0.242 51 D C 0.805 177.147 176.300 0.071 0.000 1.106 51 D CA 0.289 54.317 54.000 0.047 0.000 0.854 51 D CB -0.356 40.476 40.800 0.054 0.000 1.192 51 D HN 0.564 nan 8.370 nan 0.000 0.503 52 E N -2.329 117.918 120.200 0.078 0.000 4.157 52 E HA -0.196 1.612 4.350 -4.236 0.000 0.351 52 E C -0.092 176.592 176.600 0.140 0.000 0.691 52 E CA 0.607 57.054 56.400 0.078 0.000 1.380 52 E CB -1.913 27.820 29.700 0.056 0.000 1.727 52 E HN 0.361 nan 8.360 nan 0.000 0.402 53 F N -0.587 119.365 119.950 0.004 0.000 2.539 53 F HA 0.408 2.393 4.527 -4.236 0.000 0.277 53 F C 1.529 177.337 175.800 0.014 0.000 0.925 53 F CA 0.834 58.839 58.000 0.008 0.000 1.193 53 F CB -0.086 38.919 39.000 0.008 0.000 1.128 53 F HN 0.065 nan 8.300 nan 0.000 0.740 54 L N -0.277 121.018 121.223 0.121 0.000 2.298 54 L HA 0.178 1.976 4.340 -4.236 0.000 0.209 54 L C -0.437 176.433 176.870 -0.000 0.000 1.084 54 L CA 0.241 55.094 54.840 0.021 0.000 0.816 54 L CB 0.478 42.611 42.059 0.124 0.000 0.967 54 L HN -0.169 nan 8.230 nan 0.000 0.460 55 V N 0.820 120.749 119.914 0.026 0.000 2.380 55 V HA 0.261 1.839 4.120 -4.236 0.000 0.286 55 V C -0.316 175.797 176.094 0.031 0.000 1.015 55 V CA -0.854 61.458 62.300 0.020 0.000 0.834 55 V CB 1.390 33.221 31.823 0.013 0.000 1.009 55 V HN 0.103 nan 8.190 nan 0.000 0.428 56 K N 2.496 122.909 120.400 0.022 0.000 2.095 56 K HA 0.431 2.209 4.320 -4.236 0.000 0.252 56 K C 0.981 177.622 176.600 0.069 0.000 0.977 56 K CA -0.763 55.542 56.287 0.031 0.000 0.900 56 K CB 1.831 34.331 32.500 -0.000 0.000 1.060 56 K HN 0.454 nan 8.250 nan 0.000 0.449 57 K N 1.023 121.466 120.400 0.072 0.000 2.152 57 K HA -0.252 1.526 4.320 -4.236 0.000 0.206 57 K C 1.887 178.551 176.600 0.108 0.000 1.048 57 K CA 1.600 57.958 56.287 0.118 0.000 0.933 57 K CB 0.180 32.698 32.500 0.030 0.000 0.721 57 K HN 0.389 nan 8.250 nan 0.000 0.447 58 Q N 1.238 121.072 119.800 0.057 0.000 2.167 58 Q HA -0.140 1.658 4.340 -4.236 0.000 0.202 58 Q C 1.122 177.152 176.000 0.050 0.000 0.970 58 Q CA 1.866 57.696 55.803 0.045 0.000 0.855 58 Q CB -0.042 28.708 28.738 0.020 0.000 0.911 58 Q HN 0.348 nan 8.270 nan 0.000 0.438 59 D N -0.226 120.201 120.400 0.046 0.000 2.104 59 D HA -0.167 1.931 4.640 -4.236 0.000 0.194 59 D C 1.769 178.098 176.300 0.048 0.000 0.994 59 D CA 1.194 55.218 54.000 0.040 0.000 0.830 59 D CB -0.206 40.612 40.800 0.031 0.000 0.959 59 D HN 0.303 nan 8.370 nan 0.000 0.452 60 I N 0.882 121.488 120.570 0.060 0.000 2.208 60 I HA -0.245 1.383 4.170 -4.236 0.000 0.245 60 I C 2.299 178.445 176.117 0.049 0.000 1.097 60 I CA 1.132 62.449 61.300 0.028 0.000 1.363 60 I CB -0.221 37.793 38.000 0.023 0.000 1.051 60 I HN -0.105 nan 8.210 nan 0.000 0.413 61 E N 0.924 121.173 120.200 0.082 0.000 2.106 61 E HA -0.189 1.619 4.350 -4.236 0.000 0.192 61 E C 1.811 178.463 176.600 0.086 0.000 0.984 61 E CA 1.658 58.101 56.400 0.071 0.000 0.806 61 E CB -0.403 29.330 29.700 0.055 0.000 0.750 61 E HN 0.553 nan 8.360 nan 0.000 0.458 62 N N -0.565 118.185 118.700 0.083 0.000 2.223 62 N HA -0.090 2.108 4.740 -4.236 0.000 0.185 62 N C 1.724 177.301 175.510 0.112 0.000 1.016 62 N CA 1.192 54.301 53.050 0.098 0.000 0.863 62 N CB -0.065 38.457 38.487 0.058 0.000 0.983 62 N HN 0.210 nan 8.380 nan 0.000 0.429 63 I N 0.601 121.226 120.570 0.091 0.000 2.333 63 I HA -0.167 1.462 4.170 -4.236 0.000 0.246 63 I C 2.065 178.262 176.117 0.134 0.000 1.106 63 I CA 0.609 61.967 61.300 0.098 0.000 1.411 63 I CB -0.094 37.932 38.000 0.043 0.000 1.082 63 I HN 0.126 nan 8.210 nan 0.000 0.420 64 L N 0.052 121.343 121.223 0.114 0.000 2.081 64 L HA -0.290 1.508 4.340 -4.236 0.000 0.212 64 L C 2.218 179.218 176.870 0.217 0.000 1.080 64 L CA 1.514 56.436 54.840 0.137 0.000 0.754 64 L CB -0.529 41.587 42.059 0.095 0.000 0.893 64 L HN 0.387 nan 8.230 nan 0.000 0.433 65 H N -1.875 117.243 119.070 0.079 0.000 2.592 65 H HA -0.148 1.866 4.556 -4.237 0.000 0.291 65 H C 1.502 176.863 175.328 0.054 0.000 1.052 65 H CA -0.278 55.803 56.048 0.056 0.000 1.175 65 H CB 0.142 29.917 29.762 0.021 0.000 1.378 65 H HN 0.482 nan 8.280 nan 0.000 0.576 66 W N 1.637 122.913 121.300 -0.039 0.000 2.290 66 W HA -0.342 1.777 4.660 -4.236 0.000 0.318 66 W C 1.846 178.250 176.519 -0.191 0.000 1.248 66 W CA 2.315 59.583 57.345 -0.129 0.000 1.263 66 W CB -0.533 28.850 29.460 -0.128 0.000 1.147 66 W HN 0.281 nan 8.180 nan 0.000 0.494 67 N N -0.802 117.775 118.700 -0.204 0.000 2.137 67 N HA -0.237 1.961 4.740 -4.236 0.000 0.190 67 N C 1.510 176.681 175.510 -0.565 0.000 1.017 67 N CA 2.619 55.370 53.050 -0.498 0.000 0.859 67 N CB -0.288 38.151 38.487 -0.081 0.000 1.002 67 N HN 0.134 nan 8.380 nan 0.000 0.428 68 V N -0.612 118.983 119.914 -0.532 0.000 2.426 68 V HA -0.090 1.488 4.120 -4.236 0.000 0.242 68 V C 2.220 178.056 176.094 -0.430 0.000 1.036 68 V CA 1.846 63.850 62.300 -0.494 0.000 1.044 68 V CB -0.440 30.916 31.823 -0.778 0.000 0.688 68 V HN 0.566 nan 8.190 nan 0.000 0.462 69 T N -0.193 114.093 114.554 -0.447 0.000 3.055 69 T HA -0.202 1.606 4.350 -4.236 0.000 0.265 69 T C 1.709 176.203 174.700 -0.343 0.000 1.111 69 T CA 1.184 63.116 62.100 -0.280 0.000 1.118 69 T CB -0.391 68.398 68.868 -0.131 0.000 0.909 69 T HN 0.709 nan 8.240 nan 0.000 0.501 70 Q N 0.431 119.850 119.800 -0.635 0.000 2.364 70 Q HA -0.186 1.612 4.340 -4.236 0.000 0.209 70 Q C 1.514 177.159 176.000 -0.592 0.000 0.977 70 Q CA 1.354 56.727 55.803 -0.716 0.000 0.885 70 Q CB -0.538 27.451 28.738 -1.247 0.000 0.941 70 Q HN 0.609 nan 8.270 nan 0.000 0.464 71 H N 0.023 118.917 119.070 -0.294 0.000 2.622 71 H HA 0.261 2.275 4.556 -4.236 0.000 0.269 71 H C 0.706 175.944 175.328 -0.149 0.000 0.977 71 H CA 0.183 56.108 56.048 -0.204 0.000 1.179 71 H CB 0.679 30.319 29.762 -0.204 0.000 1.458 71 H HN 0.275 nan 8.280 nan 0.000 0.531 72 K N 1.042 121.401 120.400 -0.068 0.000 2.387 72 K HA -0.002 1.776 4.320 -4.236 0.000 0.198 72 K C 0.174 176.743 176.600 -0.052 0.000 1.022 72 K CA -0.226 56.030 56.287 -0.051 0.000 1.128 72 K CB 0.237 32.703 32.500 -0.057 0.000 0.853 72 K HN 0.099 nan 8.250 nan 0.000 0.523 73 N N 1.953 120.613 118.700 -0.065 0.000 2.705 73 N HA -0.192 2.006 4.740 -4.236 0.000 0.255 73 N C -0.720 174.760 175.510 -0.050 0.000 1.008 73 N CA 0.319 53.335 53.050 -0.057 0.000 0.742 73 N CB -1.333 37.131 38.487 -0.039 0.000 0.906 73 N HN 0.407 nan 8.380 nan 0.000 0.541 74 I N -1.873 118.663 120.570 -0.057 0.000 2.607 74 I HA 0.507 2.135 4.170 -4.236 0.000 0.305 74 I C 0.416 176.512 176.117 -0.036 0.000 0.995 74 I CA -0.842 60.434 61.300 -0.040 0.000 1.148 74 I CB 1.540 39.521 38.000 -0.031 0.000 1.323 74 I HN 0.246 nan 8.210 nan 0.000 0.461 75 E N 5.363 125.546 120.200 -0.028 0.000 2.249 75 E HA 0.598 2.406 4.350 -4.236 0.000 0.280 75 E C -0.911 175.686 176.600 -0.005 0.000 1.016 75 E CA -0.936 55.452 56.400 -0.021 0.000 0.830 75 E CB 1.850 31.532 29.700 -0.030 0.000 1.081 75 E HN 0.700 nan 8.360 nan 0.000 0.395 76 V N -0.680 119.243 119.914 0.015 0.000 2.789 76 V HA 0.604 2.182 4.120 -4.236 0.000 0.311 76 V C -2.673 173.471 176.094 0.084 0.000 1.073 76 V CA -2.762 59.562 62.300 0.041 0.000 0.921 76 V CB 1.490 33.338 31.823 0.043 0.000 1.009 76 V HN 0.696 nan 8.190 nan 0.000 0.426 77 P HA 0.370 nan 4.420 nan 0.000 0.275 77 P C -1.355 176.089 177.300 0.240 0.000 1.227 77 P CA 0.084 63.258 63.100 0.125 0.000 0.781 77 P CB 0.997 32.738 31.700 0.069 0.000 0.906 78 F N 2.842 122.835 119.950 0.072 0.000 2.562 78 F HA 0.420 2.408 4.527 -4.231 0.000 0.319 78 F C -0.731 175.090 175.800 0.035 0.000 1.154 78 F CA -1.238 56.807 58.000 0.074 0.000 0.931 78 F CB 1.959 41.059 39.000 0.167 0.000 1.198 78 F HN 0.107 nan 8.300 nan 0.000 0.444 79 K N 8.221 128.382 120.400 -0.398 0.000 2.347 79 K HA 0.382 2.160 4.320 -4.236 0.000 0.262 79 K C -2.573 173.518 176.600 -0.848 0.000 1.052 79 K CA -1.798 54.170 56.287 -0.531 0.000 0.946 79 K CB 1.229 33.572 32.500 -0.260 0.000 1.220 79 K HN 0.341 nan 8.250 nan 0.000 0.450 80 P HA 0.032 nan 4.420 nan 0.000 0.274 80 P C 0.078 177.155 177.300 -0.372 0.000 1.231 80 P CA -0.169 62.479 63.100 -0.754 0.000 0.790 80 P CB 1.285 32.616 31.700 -0.615 0.000 0.951 81 A N 2.898 125.570 122.820 -0.246 0.000 2.014 81 A HA -0.058 1.720 4.320 -4.236 0.000 0.218 81 A C 1.125 178.565 177.584 -0.240 0.000 1.163 81 A CA 1.097 52.935 52.037 -0.332 0.000 0.652 81 A CB -0.409 18.269 19.000 -0.537 0.000 0.808 81 A HN 0.742 nan 8.150 nan 0.000 0.449 82 R N -3.430 117.022 120.500 -0.081 0.000 2.747 82 R HA 0.678 2.476 4.340 -4.236 0.000 0.272 82 R C -2.009 174.302 176.300 0.018 0.000 1.032 82 R CA -0.754 55.370 56.100 0.041 0.000 0.896 82 R CB 1.036 31.467 30.300 0.218 0.000 1.253 82 R HN -0.063 nan 8.270 nan 0.000 0.461 83 V N 1.188 121.132 119.914 0.050 0.000 2.876 83 V HA 0.608 2.187 4.120 -4.236 0.000 0.312 83 V C -0.589 175.549 176.094 0.074 0.000 1.085 83 V CA -0.869 61.457 62.300 0.044 0.000 0.945 83 V CB 2.100 33.949 31.823 0.043 0.000 1.017 83 V HN 0.690 nan 8.190 nan 0.000 0.428 84 I N 3.673 124.290 120.570 0.079 0.000 2.608 84 I HA 0.667 2.295 4.170 -4.236 0.000 0.295 84 I C -1.647 174.525 176.117 0.091 0.000 1.049 84 I CA -0.614 60.742 61.300 0.094 0.000 1.063 84 I CB 1.920 39.991 38.000 0.118 0.000 1.248 84 I HN 0.500 nan 8.210 nan 0.000 0.424 85 L N 5.854 127.127 121.223 0.083 0.000 2.371 85 L HA 0.553 2.351 4.340 -4.236 0.000 0.262 85 L C -0.915 175.991 176.870 0.061 0.000 1.006 85 L CA -0.477 54.409 54.840 0.078 0.000 0.818 85 L CB 2.016 44.128 42.059 0.088 0.000 1.354 85 L HN 0.538 nan 8.230 nan 0.000 0.415 86 Q N -0.779 119.048 119.800 0.044 0.000 2.418 86 Q HA 0.405 2.203 4.340 -4.236 0.000 0.276 86 Q C 0.010 176.040 176.000 0.049 0.000 1.081 86 Q CA -0.782 55.033 55.803 0.021 0.000 0.864 86 Q CB 0.890 29.605 28.738 -0.039 0.000 1.384 86 Q HN 0.580 nan 8.270 nan 0.000 0.467 87 D N -0.066 120.383 120.400 0.081 0.000 2.178 87 D HA -0.151 1.947 4.640 -4.236 0.000 0.202 87 D C 1.084 177.581 176.300 0.328 0.000 0.974 87 D CA 0.968 55.095 54.000 0.211 0.000 0.841 87 D CB -0.176 40.789 40.800 0.274 0.000 0.953 87 D HN 0.376 nan 8.370 nan 0.000 0.478 88 F N 2.109 122.042 119.950 -0.027 0.000 2.171 88 F HA -0.085 1.899 4.527 -4.238 0.000 0.300 88 F C 2.628 178.456 175.800 0.047 0.000 1.090 88 F CA 1.623 59.620 58.000 -0.004 0.000 1.293 88 F CB -1.002 37.929 39.000 -0.113 0.000 1.013 88 F HN 0.134 nan 8.300 nan 0.000 0.486 89 T N -3.659 111.014 114.554 0.198 0.000 3.057 89 T HA 0.198 2.006 4.350 -4.236 0.000 0.254 89 T C 2.247 177.039 174.700 0.154 0.000 1.094 89 T CA 0.651 62.843 62.100 0.154 0.000 1.088 89 T CB -0.490 68.438 68.868 0.101 0.000 0.934 89 T HN 0.204 nan 8.240 nan 0.000 0.497 90 G N 1.643 110.549 108.800 0.177 0.000 2.394 90 G HA2 -0.081 1.337 3.960 -4.236 0.000 0.214 90 G HA3 -0.081 1.337 3.960 -4.236 0.000 0.214 90 G C 1.509 176.565 174.900 0.260 0.000 1.176 90 G CA 0.722 45.937 45.100 0.191 0.000 0.786 90 G HN 0.402 nan 8.290 nan 0.000 0.533 91 V N 2.668 122.772 119.914 0.316 0.000 2.219 91 V HA -0.141 1.437 4.120 -4.236 0.000 0.248 91 V C 0.528 176.835 176.094 0.354 0.000 1.053 91 V CA 2.560 65.096 62.300 0.395 0.000 1.009 91 V CB -1.113 30.907 31.823 0.329 0.000 0.636 91 V HN 0.332 nan 8.190 nan 0.000 0.445 92 P HA -0.167 nan 4.420 nan 0.000 0.218 92 P C 1.496 178.904 177.300 0.179 0.000 1.148 92 P CA 2.215 65.482 63.100 0.277 0.000 0.822 92 P CB -0.097 31.804 31.700 0.335 0.000 0.784 93 A N -0.166 122.728 122.820 0.124 0.000 1.930 93 A HA -0.071 1.708 4.320 -4.236 0.000 0.217 93 A C 2.408 180.004 177.584 0.019 0.000 1.175 93 A CA 1.548 53.572 52.037 -0.023 0.000 0.627 93 A CB -1.457 17.526 19.000 -0.029 0.000 0.815 93 A HN 0.087 nan 8.150 nan 0.000 0.443 94 V N -0.690 119.370 119.914 0.244 0.000 2.591 94 V HA -0.139 1.440 4.120 -4.236 0.000 0.249 94 V C 2.491 178.919 176.094 0.556 0.000 1.053 94 V CA 1.447 63.948 62.300 0.335 0.000 1.068 94 V CB -0.316 31.670 31.823 0.271 0.000 0.689 94 V HN 0.340 nan 8.190 nan 0.000 0.462 95 V N 0.255 120.535 119.914 0.611 0.000 2.343 95 V HA -0.255 1.324 4.120 -4.236 0.000 0.247 95 V C 2.245 178.658 176.094 0.532 0.000 1.051 95 V CA 2.233 64.889 62.300 0.594 0.000 1.036 95 V CB -0.521 31.512 31.823 0.351 0.000 0.654 95 V HN 0.556 nan 8.190 nan 0.000 0.451 96 D N -0.969 119.635 120.400 0.340 0.000 2.224 96 D HA -0.076 2.022 4.640 -4.236 0.000 0.205 96 D C 1.974 178.463 176.300 0.315 0.000 0.965 96 D CA 0.831 55.025 54.000 0.323 0.000 0.852 96 D CB -0.111 40.773 40.800 0.139 0.000 0.947 96 D HN 0.362 nan 8.370 nan 0.000 0.494 97 F N 1.774 121.840 119.950 0.195 0.000 2.075 97 F HA -0.099 1.908 4.527 -4.199 0.000 0.297 97 F C 2.517 178.561 175.800 0.406 0.000 1.113 97 F CA 0.820 58.871 58.000 0.085 0.000 1.218 97 F CB -1.022 37.670 39.000 -0.514 0.000 0.984 97 F HN -0.093 nan 8.300 nan 0.000 0.472 98 A N -0.136 123.173 122.820 0.816 0.000 1.917 98 A HA -0.154 1.625 4.320 -4.236 0.000 0.219 98 A C 2.402 180.453 177.584 0.779 0.000 1.182 98 A CA 2.159 54.703 52.037 0.846 0.000 0.633 98 A CB -1.345 18.108 19.000 0.754 0.000 0.819 98 A HN 0.333 nan 8.150 nan 0.000 0.448 99 A N -1.023 122.268 122.820 0.784 0.000 1.968 99 A HA 0.024 1.802 4.320 -4.236 0.000 0.217 99 A C 2.201 180.111 177.584 0.543 0.000 1.169 99 A CA 1.498 53.962 52.037 0.712 0.000 0.638 99 A CB -0.466 18.920 19.000 0.643 0.000 0.812 99 A HN 0.531 nan 8.150 nan 0.000 0.446 100 M N -1.146 118.687 119.600 0.389 0.000 2.175 100 M HA -0.127 1.811 4.480 -4.236 0.000 0.264 100 M C 2.373 178.771 176.300 0.163 0.000 1.063 100 M CA 1.283 56.620 55.300 0.061 0.000 1.119 100 M CB -0.289 32.336 32.600 0.041 0.000 1.377 100 M HN 0.348 nan 8.290 nan 0.000 0.415 101 R N 0.480 121.166 120.500 0.310 0.000 2.083 101 R HA -0.157 1.641 4.340 -4.236 0.000 0.237 101 R C 1.762 178.203 176.300 0.235 0.000 1.137 101 R CA 1.687 57.945 56.100 0.264 0.000 0.951 101 R CB -0.490 29.997 30.300 0.312 0.000 0.851 101 R HN 0.361 nan 8.270 nan 0.000 0.434 102 D N 0.368 120.959 120.400 0.318 0.000 2.116 102 D HA -0.181 1.918 4.640 -4.236 0.000 0.193 102 D C 1.754 178.177 176.300 0.205 0.000 0.998 102 D CA 1.722 55.899 54.000 0.295 0.000 0.836 102 D CB -0.316 40.726 40.800 0.404 0.000 0.951 102 D HN 0.277 nan 8.370 nan 0.000 0.449 103 A N 0.479 123.408 122.820 0.183 0.000 1.898 103 A HA -0.113 1.665 4.320 -4.236 0.000 0.216 103 A C 2.565 180.180 177.584 0.053 0.000 1.181 103 A CA 1.141 53.241 52.037 0.104 0.000 0.620 103 A CB -0.697 18.313 19.000 0.016 0.000 0.819 103 A HN 0.149 nan 8.150 nan 0.000 0.442 104 V N 0.292 120.232 119.914 0.043 0.000 2.295 104 V HA -0.272 1.306 4.120 -4.236 0.000 0.246 104 V C 2.554 178.678 176.094 0.049 0.000 1.049 104 V CA 2.375 64.693 62.300 0.030 0.000 1.024 104 V CB -0.614 31.229 31.823 0.032 0.000 0.648 104 V HN 0.682 nan 8.190 nan 0.000 0.447 105 K N 0.101 120.547 120.400 0.076 0.000 2.074 105 K HA -0.263 1.515 4.320 -4.236 0.000 0.209 105 K C 2.297 178.939 176.600 0.069 0.000 1.048 105 K CA 1.826 58.159 56.287 0.076 0.000 0.926 105 K CB -0.189 32.370 32.500 0.100 0.000 0.713 105 K HN 0.296 nan 8.250 nan 0.000 0.444 106 K N 0.487 120.935 120.400 0.080 0.000 2.283 106 K HA -0.058 1.720 4.320 -4.236 0.000 0.202 106 K C 1.514 178.147 176.600 0.054 0.000 1.048 106 K CA 0.783 57.114 56.287 0.073 0.000 0.948 106 K CB 0.082 32.636 32.500 0.089 0.000 0.742 106 K HN 0.230 nan 8.250 nan 0.000 0.458 107 L N -0.119 121.130 121.223 0.044 0.000 2.629 107 L HA 0.148 1.946 4.340 -4.236 0.000 0.230 107 L C 0.828 177.712 176.870 0.024 0.000 1.151 107 L CA 0.232 55.090 54.840 0.030 0.000 0.924 107 L CB 0.280 42.350 42.059 0.018 0.000 1.137 107 L HN 0.322 nan 8.230 nan 0.000 0.457 108 G N 0.276 109.094 108.800 0.030 0.000 2.160 108 G HA2 -0.225 1.193 3.960 -4.236 0.000 0.251 108 G HA3 -0.225 1.193 3.960 -4.236 0.000 0.251 108 G C 0.471 175.382 174.900 0.020 0.000 1.008 108 G CA 0.032 45.147 45.100 0.025 0.000 0.724 108 G HN 0.524 nan 8.290 nan 0.000 0.514 109 G N -0.903 107.910 108.800 0.021 0.000 2.557 109 G HA2 0.530 1.948 3.960 -4.236 0.000 0.302 109 G HA3 0.530 1.948 3.960 -4.236 0.000 0.302 109 G C -0.592 174.321 174.900 0.023 0.000 1.311 109 G CA 0.185 45.294 45.100 0.015 0.000 1.030 109 G HN 0.400 nan 8.290 nan 0.000 0.509 110 D N -0.738 119.674 120.400 0.019 0.000 2.359 110 D HA 0.398 2.496 4.640 -4.236 0.000 0.230 110 D C -1.501 174.818 176.300 0.031 0.000 1.118 110 D CA -2.033 51.981 54.000 0.024 0.000 0.844 110 D CB 1.844 42.654 40.800 0.017 0.000 1.059 110 D HN -0.075 nan 8.370 nan 0.000 0.493 111 P HA -0.101 nan 4.420 nan 0.000 0.222 111 P C 0.880 178.199 177.300 0.031 0.000 1.147 111 P CA 0.612 63.745 63.100 0.055 0.000 0.790 111 P CB 0.314 32.053 31.700 0.065 0.000 0.780 112 E N -0.138 120.069 120.200 0.011 0.000 2.338 112 E HA -0.132 1.676 4.350 -4.236 0.000 0.197 112 E C 1.577 178.186 176.600 0.015 0.000 1.007 112 E CA 0.828 57.224 56.400 -0.007 0.000 0.849 112 E CB -0.251 29.461 29.700 0.021 0.000 0.774 112 E HN 0.377 nan 8.360 nan 0.000 0.506 113 K N 0.144 120.561 120.400 0.027 0.000 2.365 113 K HA -0.037 1.741 4.320 -4.236 0.000 0.199 113 K C 0.368 176.991 176.600 0.038 0.000 1.045 113 K CA 0.204 56.510 56.287 0.031 0.000 0.962 113 K CB 0.099 32.612 32.500 0.021 0.000 0.759 113 K HN -0.012 nan 8.250 nan 0.000 0.469 114 I N 2.316 122.919 120.570 0.055 0.000 2.293 114 I HA 0.016 1.644 4.170 -4.236 0.000 0.299 114 I C -1.024 175.106 176.117 0.022 0.000 1.153 114 I CA 0.468 61.821 61.300 0.088 0.000 1.302 114 I CB -0.089 38.033 38.000 0.203 0.000 1.460 114 I HN 0.056 nan 8.210 nan 0.000 0.552 115 N N 5.761 124.422 118.700 -0.064 0.000 2.431 115 N HA 0.373 2.571 4.740 -4.236 0.000 0.275 115 N C -2.774 172.661 175.510 -0.124 0.000 1.091 115 N CA -1.310 51.663 53.050 -0.128 0.000 0.922 115 N CB 2.278 40.711 38.487 -0.091 0.000 1.666 115 N HN 0.051 nan 8.380 nan 0.000 0.484 116 P HA -0.050 nan 4.420 nan 0.000 0.264 116 P C 0.722 178.032 177.300 0.016 0.000 1.193 116 P CA -0.169 62.883 63.100 -0.080 0.000 0.763 116 P CB 0.675 32.327 31.700 -0.080 0.000 0.810 117 V N 1.465 121.392 119.914 0.023 0.000 3.471 117 V HA 0.049 1.627 4.120 -4.236 0.000 0.258 117 V C 0.728 176.837 176.094 0.025 0.000 1.192 117 V CA 0.641 62.959 62.300 0.029 0.000 1.116 117 V CB -0.900 30.933 31.823 0.017 0.000 0.792 117 V HN 0.599 nan 8.190 nan 0.000 0.459 118 C N -1.303 118.010 119.300 0.022 0.000 2.486 118 C HA 0.836 2.754 4.460 -4.236 0.000 0.348 118 C C -2.632 172.397 174.990 0.065 0.000 1.203 118 C CA -2.603 56.433 59.018 0.030 0.000 1.911 118 C CB 1.050 28.781 27.740 -0.015 0.000 2.340 118 C HN 0.271 nan 8.230 nan 0.000 0.511 119 P HA 0.405 nan 4.420 nan 0.000 0.268 119 P C -0.590 176.770 177.300 0.100 0.000 1.205 119 P CA 0.717 63.891 63.100 0.124 0.000 0.771 119 P CB 0.459 32.278 31.700 0.199 0.000 0.858 120 A N 2.490 125.360 122.820 0.083 0.000 2.374 120 A HA 0.542 2.320 4.320 -4.236 0.000 0.305 120 A C -1.081 176.549 177.584 0.076 0.000 1.053 120 A CA -0.550 51.534 52.037 0.078 0.000 0.726 120 A CB 1.149 20.191 19.000 0.070 0.000 1.229 120 A HN 0.421 nan 8.150 nan 0.000 0.431 121 D N 1.632 122.078 120.400 0.078 0.000 2.362 121 D HA 0.469 2.567 4.640 -4.236 0.000 0.247 121 D C -1.260 175.083 176.300 0.071 0.000 1.050 121 D CA -0.066 53.977 54.000 0.072 0.000 0.839 121 D CB 2.513 43.356 40.800 0.072 0.000 1.283 121 D HN 0.436 nan 8.370 nan 0.000 0.477 122 L N 2.083 123.342 121.223 0.061 0.000 2.356 122 L HA 0.399 2.197 4.340 -4.236 0.000 0.277 122 L C -1.247 175.633 176.870 0.017 0.000 0.996 122 L CA -0.680 54.193 54.840 0.055 0.000 0.822 122 L CB 1.697 43.801 42.059 0.076 0.000 1.256 122 L HN 0.078 nan 8.230 nan 0.000 0.413 123 V N 5.986 125.910 119.914 0.017 0.000 2.417 123 V HA 0.402 1.981 4.120 -4.236 0.000 0.291 123 V C 0.124 176.211 176.094 -0.012 0.000 1.024 123 V CA -0.467 61.825 62.300 -0.013 0.000 0.861 123 V CB 1.750 33.580 31.823 0.011 0.000 0.985 123 V HN 0.542 nan 8.190 nan 0.000 0.436 124 I N 5.325 125.847 120.570 -0.080 0.000 2.287 124 I HA 0.345 1.973 4.170 -4.236 0.000 0.290 124 I C 0.110 176.223 176.117 -0.007 0.000 1.069 124 I CA 0.031 61.301 61.300 -0.051 0.000 1.237 124 I CB 0.782 38.653 38.000 -0.215 0.000 1.418 124 I HN 0.845 nan 8.210 nan 0.000 0.481 125 D N 1.495 121.938 120.400 0.072 0.000 2.453 125 D HA -0.032 2.066 4.640 -4.236 0.000 0.256 125 D C 1.104 177.376 176.300 -0.047 0.000 1.152 125 D CA 0.114 54.135 54.000 0.035 0.000 0.818 125 D CB -0.013 40.800 40.800 0.022 0.000 1.259 125 D HN 0.383 nan 8.370 nan 0.000 0.531 126 H N -0.090 118.852 119.070 -0.212 0.000 2.539 126 H HA 0.382 2.397 4.556 -4.236 0.000 0.269 126 H C 1.347 176.418 175.328 -0.427 0.000 0.980 126 H CA 0.677 56.416 56.048 -0.516 0.000 1.152 126 H CB 0.754 29.820 29.762 -1.159 0.000 1.407 126 H HN 0.003 nan 8.280 nan 0.000 0.564 127 S N -0.175 115.531 115.700 0.009 0.000 2.439 127 S HA 0.106 2.034 4.470 -4.236 0.000 0.224 127 S C 0.961 175.639 174.600 0.130 0.000 1.029 127 S CA -0.182 58.109 58.200 0.152 0.000 0.946 127 S CB 0.375 63.777 63.200 0.337 0.000 0.797 127 S HN 0.325 nan 8.310 nan 0.000 0.504 128 I N 2.245 122.879 120.570 0.106 0.000 2.634 128 I HA 0.091 1.719 4.170 -4.236 0.000 0.284 128 I C -0.366 175.781 176.117 0.050 0.000 1.124 128 I CA -0.041 61.317 61.300 0.097 0.000 1.417 128 I CB 0.623 38.683 38.000 0.100 0.000 1.396 128 I HN 0.219 nan 8.210 nan 0.000 0.571 129 Q N 4.776 124.608 119.800 0.053 0.000 2.359 129 Q HA 0.402 2.200 4.340 -4.236 0.000 0.275 129 Q C -0.886 175.120 176.000 0.009 0.000 1.082 129 Q CA -0.997 54.822 55.803 0.026 0.000 0.849 129 Q CB 2.515 31.268 28.738 0.026 0.000 1.377 129 Q HN 0.505 nan 8.270 nan 0.000 0.452 130 V N 2.496 122.405 119.914 -0.009 0.000 2.071 130 V HA -0.027 1.551 4.120 -4.236 0.000 0.254 130 V C 0.304 176.348 176.094 -0.083 0.000 1.456 130 V CA 0.392 62.677 62.300 -0.025 0.000 1.383 130 V CB -0.557 31.253 31.823 -0.021 0.000 1.433 130 V HN 0.748 nan 8.190 nan 0.000 0.499 131 D N 1.911 122.229 120.400 -0.136 0.000 2.103 131 D HA -0.003 2.095 4.640 -4.236 0.000 0.199 131 D C 0.353 176.238 176.300 -0.692 0.000 0.978 131 D CA 1.551 55.299 54.000 -0.419 0.000 0.829 131 D CB 0.278 40.792 40.800 -0.476 0.000 0.981 131 D HN 0.482 nan 8.370 nan 0.000 0.464 132 F N 0.199 120.154 119.950 0.009 0.000 2.546 132 F HA 0.305 2.290 4.527 -4.237 0.000 0.320 132 F C 0.465 176.252 175.800 -0.022 0.000 1.076 132 F CA -1.057 56.943 58.000 -0.000 0.000 0.928 132 F CB 1.620 40.622 39.000 0.004 0.000 1.189 132 F HN -0.154 nan 8.300 nan 0.000 0.465 133 N N -0.986 117.801 118.700 0.145 0.000 2.902 133 N HA 0.623 2.821 4.740 -4.236 0.000 0.268 133 N C -0.279 175.243 175.510 0.019 0.000 1.450 133 N CA -1.064 52.006 53.050 0.035 0.000 0.819 133 N CB 1.789 40.248 38.487 -0.047 0.000 1.540 133 N HN 0.581 nan 8.380 nan 0.000 0.545 134 R N -1.720 118.755 120.500 -0.042 0.000 3.977 134 R HA -0.172 1.626 4.340 -4.236 0.000 0.428 134 R C -0.694 175.597 176.300 -0.016 0.000 1.079 134 R CA 1.189 57.260 56.100 -0.048 0.000 1.269 134 R CB -1.172 29.103 30.300 -0.041 0.000 1.856 134 R HN 0.698 nan 8.270 nan 0.000 0.551 135 R N -1.385 119.112 120.500 -0.004 0.000 2.854 135 R HA 0.541 2.339 4.340 -4.236 0.000 0.271 135 R C 0.926 177.213 176.300 -0.023 0.000 0.996 135 R CA 0.169 56.262 56.100 -0.011 0.000 0.961 135 R CB 0.959 31.254 30.300 -0.009 0.000 1.182 135 R HN 0.074 nan 8.270 nan 0.000 0.479 136 A N 0.960 123.761 122.820 -0.031 0.000 1.972 136 A HA -0.187 1.591 4.320 -4.236 0.000 0.219 136 A C 1.243 178.804 177.584 -0.038 0.000 1.169 136 A CA 1.993 54.008 52.037 -0.037 0.000 0.635 136 A CB -0.394 18.582 19.000 -0.041 0.000 0.810 136 A HN 0.840 nan 8.150 nan 0.000 0.446 137 D N -0.185 120.187 120.400 -0.046 0.000 2.349 137 D HA -0.055 2.043 4.640 -4.236 0.000 0.215 137 D C 1.647 177.913 176.300 -0.057 0.000 1.016 137 D CA 1.072 55.036 54.000 -0.059 0.000 0.870 137 D CB -0.783 39.965 40.800 -0.086 0.000 0.917 137 D HN 0.431 nan 8.370 nan 0.000 0.524 138 S N 0.373 116.059 115.700 -0.023 0.000 2.399 138 S HA -0.182 1.746 4.470 -4.236 0.000 0.231 138 S C 1.899 176.531 174.600 0.053 0.000 1.022 138 S CA 0.710 58.935 58.200 0.042 0.000 0.983 138 S CB -0.710 62.547 63.200 0.094 0.000 0.803 138 S HN 0.285 nan 8.310 nan 0.000 0.480 139 L N 1.563 122.791 121.223 0.008 0.000 1.970 139 L HA -0.112 1.687 4.340 -4.236 0.000 0.212 139 L C 2.697 179.592 176.870 0.041 0.000 1.071 139 L CA 1.957 56.801 54.840 0.006 0.000 0.751 139 L CB -0.958 41.090 42.059 -0.018 0.000 0.889 139 L HN 0.227 nan 8.230 nan 0.000 0.432 140 Q N -0.225 119.588 119.800 0.023 0.000 2.096 140 Q HA -0.233 1.566 4.340 -4.236 0.000 0.204 140 Q C 2.240 178.265 176.000 0.040 0.000 0.982 140 Q CA 1.971 57.789 55.803 0.025 0.000 0.850 140 Q CB -0.116 28.617 28.738 -0.008 0.000 0.901 140 Q HN 0.615 nan 8.270 nan 0.000 0.422 141 K N 0.213 120.623 120.400 0.016 0.000 2.148 141 K HA -0.085 1.693 4.320 -4.236 0.000 0.204 141 K C 1.689 178.413 176.600 0.206 0.000 1.050 141 K CA 0.815 57.119 56.287 0.029 0.000 0.942 141 K CB -0.041 32.325 32.500 -0.223 0.000 0.724 141 K HN 0.171 nan 8.250 nan 0.000 0.446 142 N N 1.411 120.240 118.700 0.215 0.000 2.171 142 N HA -0.106 2.093 4.740 -4.236 0.000 0.184 142 N C 1.819 177.436 175.510 0.178 0.000 1.021 142 N CA 1.072 54.247 53.050 0.209 0.000 0.854 142 N CB -0.119 38.456 38.487 0.147 0.000 0.994 142 N HN 0.285 nan 8.380 nan 0.000 0.426 143 Q N 0.493 120.389 119.800 0.161 0.000 2.124 143 Q HA -0.112 1.686 4.340 -4.236 0.000 0.202 143 Q C 1.046 177.190 176.000 0.240 0.000 0.977 143 Q CA 1.097 57.019 55.803 0.199 0.000 0.850 143 Q CB -0.007 28.831 28.738 0.167 0.000 0.901 143 Q HN 0.309 nan 8.270 nan 0.000 0.429 144 D N 0.389 120.897 120.400 0.180 0.000 2.092 144 D HA -0.154 1.944 4.640 -4.236 0.000 0.193 144 D C 1.774 178.208 176.300 0.223 0.000 0.994 144 D CA 0.844 54.951 54.000 0.178 0.000 0.828 144 D CB -0.160 40.706 40.800 0.109 0.000 0.963 144 D HN 0.080 nan 8.370 nan 0.000 0.450 145 L N 1.219 122.566 121.223 0.207 0.000 2.042 145 L HA -0.145 1.653 4.340 -4.236 0.000 0.210 145 L C 2.261 179.241 176.870 0.183 0.000 1.076 145 L CA 1.467 56.420 54.840 0.188 0.000 0.749 145 L CB -1.145 41.025 42.059 0.186 0.000 0.893 145 L HN 0.175 nan 8.230 nan 0.000 0.432 146 E N -1.141 119.189 120.200 0.216 0.000 2.070 146 E HA -0.297 1.511 4.350 -4.236 0.000 0.197 146 E C 2.322 179.058 176.600 0.227 0.000 1.004 146 E CA 1.509 58.043 56.400 0.224 0.000 0.805 146 E CB -0.209 29.668 29.700 0.295 0.000 0.744 146 E HN 0.383 nan 8.360 nan 0.000 0.451 147 F N 1.306 121.392 119.950 0.226 0.000 2.146 147 F HA -0.098 1.887 4.527 -4.237 0.000 0.298 147 F C 2.229 178.087 175.800 0.096 0.000 1.096 147 F CA 1.656 59.810 58.000 0.257 0.000 1.275 147 F CB 0.078 39.242 39.000 0.273 0.000 1.008 147 F HN 0.053 nan 8.300 nan 0.000 0.480 148 E N -0.294 120.066 120.200 0.266 0.000 2.051 148 E HA -0.234 1.575 4.350 -4.236 0.000 0.192 148 E C 2.214 178.835 176.600 0.036 0.000 0.991 148 E CA 1.411 57.901 56.400 0.150 0.000 0.799 148 E CB -0.209 29.575 29.700 0.141 0.000 0.748 148 E HN 0.354 nan 8.360 nan 0.000 0.449 149 R N 0.363 120.870 120.500 0.010 0.000 2.120 149 R HA -0.001 1.797 4.340 -4.236 0.000 0.234 149 R C 1.236 177.411 176.300 -0.209 0.000 1.123 149 R CA 0.974 57.051 56.100 -0.039 0.000 0.975 149 R CB 0.027 30.331 30.300 0.006 0.000 0.866 149 R HN 0.138 nan 8.270 nan 0.000 0.446 150 N N -0.068 118.384 118.700 -0.413 0.000 2.177 150 N HA 0.028 2.227 4.740 -4.236 0.000 0.218 150 N C 0.974 175.899 175.510 -0.974 0.000 1.182 150 N CA -0.081 52.473 53.050 -0.826 0.000 0.882 150 N CB 0.583 38.359 38.487 -1.185 0.000 1.052 150 N HN 0.159 nan 8.380 nan 0.000 0.519 151 R N 1.950 122.120 120.500 -0.549 0.000 2.133 151 R HA -0.210 1.588 4.340 -4.236 0.000 0.245 151 R C 1.832 178.014 176.300 -0.196 0.000 1.137 151 R CA 1.900 57.825 56.100 -0.290 0.000 0.947 151 R CB -0.023 30.248 30.300 -0.049 0.000 0.865 151 R HN 0.245 nan 8.270 nan 0.000 0.437 152 E N -0.172 119.886 120.200 -0.237 0.000 2.077 152 E HA -0.218 1.590 4.350 -4.236 0.000 0.193 152 E C 2.104 178.675 176.600 -0.049 0.000 0.989 152 E CA 1.346 57.678 56.400 -0.112 0.000 0.800 152 E CB 0.079 29.714 29.700 -0.109 0.000 0.746 152 E HN 0.395 nan 8.360 nan 0.000 0.452 153 R N -0.602 119.765 120.500 -0.222 0.000 2.092 153 R HA -0.094 1.704 4.340 -4.236 0.000 0.231 153 R C 2.225 178.720 176.300 0.324 0.000 1.119 153 R CA 1.229 57.343 56.100 0.024 0.000 0.970 153 R CB -0.237 30.005 30.300 -0.096 0.000 0.864 153 R HN 0.203 nan 8.270 nan 0.000 0.440 154 F N 1.452 121.443 119.950 0.069 0.000 2.186 154 F HA -0.084 1.901 4.527 -4.237 0.000 0.299 154 F C 2.064 177.902 175.800 0.063 0.000 1.090 154 F CA 0.869 58.954 58.000 0.142 0.000 1.307 154 F CB -0.767 38.217 39.000 -0.027 0.000 1.019 154 F HN 0.045 nan 8.300 nan 0.000 0.489 155 E N -0.702 119.633 120.200 0.225 0.000 2.110 155 E HA -0.237 1.571 4.350 -4.236 0.000 0.193 155 E C 2.067 178.843 176.600 0.292 0.000 0.988 155 E CA 1.210 57.707 56.400 0.163 0.000 0.804 155 E CB -0.415 29.379 29.700 0.156 0.000 0.745 155 E HN 0.336 nan 8.360 nan 0.000 0.458 156 F N 0.952 121.031 119.950 0.216 0.000 2.146 156 F HA -0.096 1.895 4.527 -4.227 0.000 0.298 156 F C 1.760 177.786 175.800 0.376 0.000 1.096 156 F CA 1.085 59.237 58.000 0.253 0.000 1.275 156 F CB -0.007 39.059 39.000 0.109 0.000 1.008 156 F HN -0.081 nan 8.300 nan 0.000 0.480 157 L N 0.150 121.577 121.223 0.341 0.000 2.027 157 L HA -0.197 1.601 4.340 -4.236 0.000 0.206 157 L C 2.586 179.617 176.870 0.269 0.000 1.074 157 L CA 1.582 56.600 54.840 0.297 0.000 0.745 157 L CB -0.729 41.609 42.059 0.465 0.000 0.898 157 L HN 0.055 nan 8.230 nan 0.000 0.433 158 K N -0.441 120.118 120.400 0.265 0.000 2.063 158 K HA -0.277 1.501 4.320 -4.236 0.000 0.208 158 K C 2.083 178.743 176.600 0.101 0.000 1.048 158 K CA 1.943 58.303 56.287 0.120 0.000 0.928 158 K CB -0.344 31.946 32.500 -0.351 0.000 0.713 158 K HN 0.277 nan 8.250 nan 0.000 0.442 159 W N 0.981 122.260 121.300 -0.036 0.000 2.315 159 W HA -0.195 1.941 4.660 -4.207 0.000 0.323 159 W C 1.861 178.347 176.519 -0.055 0.000 1.233 159 W CA 2.565 59.885 57.345 -0.042 0.000 1.267 159 W CB -1.049 28.408 29.460 -0.005 0.000 1.160 159 W HN 0.184 nan 8.180 nan 0.000 0.474 160 G N 0.059 108.729 108.800 -0.216 0.000 2.556 160 G HA2 -0.449 0.969 3.960 -4.236 0.000 0.220 160 G HA3 -0.449 0.969 3.960 -4.236 0.000 0.220 160 G C 1.592 176.398 174.900 -0.157 0.000 1.156 160 G CA 2.507 47.439 45.100 -0.280 0.000 0.766 160 G HN 0.490 nan 8.290 nan 0.000 0.583 161 S N -0.416 115.254 115.700 -0.050 0.000 2.469 161 S HA -0.071 1.857 4.470 -4.236 0.000 0.238 161 S C 2.069 176.629 174.600 -0.067 0.000 0.998 161 S CA 1.664 59.868 58.200 0.007 0.000 0.957 161 S CB -0.134 63.136 63.200 0.117 0.000 0.764 161 S HN 0.604 nan 8.310 nan 0.000 0.514 162 Q N -0.062 119.617 119.800 -0.200 0.000 2.396 162 Q HA 0.440 2.239 4.340 -4.236 0.000 0.220 162 Q C 2.124 177.894 176.000 -0.383 0.000 0.900 162 Q CA 0.615 56.288 55.803 -0.216 0.000 0.925 162 Q CB 0.039 28.679 28.738 -0.163 0.000 1.065 162 Q HN 0.682 nan 8.270 nan 0.000 0.535 163 A N -0.169 122.212 122.820 -0.731 0.000 2.195 163 A HA 0.200 1.978 4.320 -4.236 0.000 0.210 163 A C 0.019 176.913 177.584 -1.149 0.000 1.165 163 A CA 0.251 51.669 52.037 -1.031 0.000 0.806 163 A CB 0.292 18.220 19.000 -1.786 0.000 0.847 163 A HN 0.178 nan 8.150 nan 0.000 0.482 164 F N -0.279 119.368 119.950 -0.505 0.000 2.507 164 F HA 0.403 2.381 4.527 -4.247 0.000 0.325 164 F C 0.368 175.981 175.800 -0.311 0.000 1.116 164 F CA -0.877 56.833 58.000 -0.482 0.000 0.930 164 F CB 1.084 39.797 39.000 -0.478 0.000 1.146 164 F HN 0.159 nan 8.300 nan 0.000 0.447 165 H N 2.522 121.577 119.070 -0.025 0.000 2.871 165 H HA 0.094 4.625 4.556 -0.041 0.000 0.355 165 H C 0.147 175.467 175.328 -0.013 0.000 1.092 165 H CA 0.053 56.083 56.048 -0.031 0.000 1.420 165 H CB 0.309 30.051 29.762 -0.034 0.000 1.400 165 H HN 0.585 nan 8.280 nan 0.000 0.604 166 N N 0.868 119.647 118.700 0.131 0.000 2.747 166 N HA -0.174 2.024 4.740 -4.236 0.000 0.249 166 N C -1.027 174.522 175.510 0.066 0.000 1.107 166 N CA 0.806 53.907 53.050 0.084 0.000 0.707 166 N CB -0.727 37.809 38.487 0.081 0.000 1.054 166 N HN 0.604 nan 8.380 nan 0.000 0.555 167 M N 0.645 120.282 119.600 0.061 0.000 2.044 167 M HA 0.226 2.164 4.480 -4.236 0.000 0.333 167 M C 0.578 176.919 176.300 0.069 0.000 1.004 167 M CA -0.277 55.058 55.300 0.058 0.000 0.954 167 M CB 1.811 34.440 32.600 0.048 0.000 1.468 167 M HN 0.043 nan 8.290 nan 0.000 0.414 168 R N 3.403 123.946 120.500 0.071 0.000 2.368 168 R HA 0.685 2.483 4.340 -4.236 0.000 0.302 168 R C -1.181 175.161 176.300 0.070 0.000 1.002 168 R CA -0.364 55.782 56.100 0.076 0.000 0.929 168 R CB 1.196 31.540 30.300 0.073 0.000 1.073 168 R HN 0.700 nan 8.270 nan 0.000 0.464 169 I N 5.677 126.287 120.570 0.067 0.000 2.404 169 I HA 0.279 1.907 4.170 -4.236 0.000 0.293 169 I C -0.311 175.745 176.117 -0.102 0.000 0.992 169 I CA -1.008 60.291 61.300 -0.002 0.000 1.149 169 I CB 1.833 39.862 38.000 0.049 0.000 1.315 169 I HN 0.508 nan 8.210 nan 0.000 0.446 170 I N 8.555 129.041 120.570 -0.139 0.000 2.297 170 I HA 0.301 1.930 4.170 -4.236 0.000 0.291 170 I C -2.000 173.882 176.117 -0.392 0.000 1.033 170 I CA -2.449 58.741 61.300 -0.184 0.000 1.253 170 I CB 0.406 38.373 38.000 -0.056 0.000 1.396 170 I HN 0.200 nan 8.210 nan 0.000 0.476 171 P HA 0.262 nan 4.420 nan 0.000 0.274 171 P C -2.691 174.300 177.300 -0.516 0.000 1.260 171 P CA -1.497 61.023 63.100 -0.966 0.000 0.793 171 P CB -0.493 30.558 31.700 -1.081 0.000 1.048 172 P HA 0.086 nan 4.420 nan 0.000 0.268 172 P C 0.926 178.193 177.300 -0.055 0.000 1.208 172 P CA 1.203 64.191 63.100 -0.187 0.000 0.777 172 P CB -0.219 31.413 31.700 -0.114 0.000 0.875 173 G N 0.935 109.750 108.800 0.026 0.000 2.176 173 G HA2 -0.265 1.153 3.960 -4.236 0.000 0.253 173 G HA3 -0.265 1.153 3.960 -4.236 0.000 0.253 173 G C 1.111 175.976 174.900 -0.059 0.000 0.979 173 G CA 0.474 45.619 45.100 0.075 0.000 0.641 173 G HN 0.468 nan 8.290 nan 0.000 0.530 174 S N -0.491 115.151 115.700 -0.097 0.000 2.441 174 S HA 0.535 2.463 4.470 -4.236 0.000 0.224 174 S C 1.378 175.897 174.600 -0.136 0.000 1.043 174 S CA 1.475 59.568 58.200 -0.179 0.000 0.948 174 S CB 0.529 63.645 63.200 -0.139 0.000 0.810 174 S HN 2.174 nan 8.310 nan 0.000 0.504 175 G N 0.655 109.462 108.800 0.011 0.000 2.302 175 G HA2 0.148 1.566 3.960 -4.236 0.000 0.276 175 G HA3 0.148 1.566 3.960 -4.236 0.000 0.276 175 G C -1.700 173.242 174.900 0.071 0.000 1.316 175 G CA -1.043 44.109 45.100 0.086 0.000 0.988 175 G HN 0.174 nan 8.290 nan 0.000 0.479 176 I N 1.352 121.969 120.570 0.078 0.000 2.460 176 I HA 0.379 2.008 4.170 -4.236 0.000 0.298 176 I C 1.943 178.073 176.117 0.021 0.000 0.989 176 I CA -0.745 60.575 61.300 0.034 0.000 1.173 176 I CB 1.852 39.871 38.000 0.032 0.000 1.338 176 I HN 0.713 nan 8.210 nan 0.000 0.456 177 I N 4.616 125.152 120.570 -0.057 0.000 2.113 177 I HA -0.402 1.226 4.170 -4.236 0.000 0.242 177 I C 2.290 178.371 176.117 -0.061 0.000 1.057 177 I CA 2.120 63.353 61.300 -0.112 0.000 1.314 177 I CB -0.055 37.801 38.000 -0.240 0.000 1.022 177 I HN 0.698 nan 8.210 nan 0.000 0.408 178 H N -0.129 119.019 119.070 0.130 0.000 2.428 178 H HA -0.137 1.877 4.556 -4.237 0.000 0.296 178 H C 2.078 177.479 175.328 0.122 0.000 1.062 178 H CA 1.535 57.656 56.048 0.121 0.000 1.350 178 H CB -0.450 29.382 29.762 0.118 0.000 1.403 178 H HN 0.564 nan 8.280 nan 0.000 0.533 179 Q N 0.809 120.741 119.800 0.221 0.000 2.046 179 Q HA -0.083 1.715 4.340 -4.236 0.000 0.200 179 Q C 2.281 178.422 176.000 0.235 0.000 0.975 179 Q CA 1.327 57.261 55.803 0.219 0.000 0.836 179 Q CB 0.161 29.021 28.738 0.202 0.000 0.896 179 Q HN 0.140 nan 8.270 nan 0.000 0.428 180 V N 1.400 121.443 119.914 0.214 0.000 2.490 180 V HA -0.262 1.316 4.120 -4.236 0.000 0.250 180 V C 2.050 178.237 176.094 0.156 0.000 1.061 180 V CA 1.987 64.420 62.300 0.223 0.000 1.064 180 V CB -0.883 31.070 31.823 0.216 0.000 0.670 180 V HN 0.508 nan 8.190 nan 0.000 0.461 181 N N -0.109 118.684 118.700 0.154 0.000 2.106 181 N HA -0.131 2.067 4.740 -4.236 0.000 0.188 181 N C 1.958 177.535 175.510 0.112 0.000 1.029 181 N CA 1.099 54.227 53.050 0.130 0.000 0.848 181 N CB -0.036 38.558 38.487 0.179 0.000 1.007 181 N HN 0.388 nan 8.380 nan 0.000 0.423 182 L N 0.765 122.078 121.223 0.151 0.000 2.046 182 L HA -0.125 1.673 4.340 -4.236 0.000 0.208 182 L C 1.919 178.909 176.870 0.201 0.000 1.077 182 L CA 1.332 56.272 54.840 0.166 0.000 0.747 182 L CB -0.176 41.990 42.059 0.179 0.000 0.896 182 L HN 0.266 nan 8.230 nan 0.000 0.432 183 E N -2.383 117.918 120.200 0.168 0.000 2.318 183 E HA -0.130 1.678 4.350 -4.236 0.000 0.193 183 E C 1.001 177.529 176.600 -0.121 0.000 0.998 183 E CA 0.668 57.124 56.400 0.092 0.000 0.859 183 E CB 0.441 30.344 29.700 0.338 0.000 0.812 183 E HN 0.442 nan 8.360 nan 0.000 0.492 184 Y N -0.780 119.319 120.300 -0.334 0.000 3.087 184 Y HA 0.182 2.189 4.550 -4.237 0.000 0.227 184 Y C 1.418 177.185 175.900 -0.221 0.000 1.015 184 Y CA -0.000 57.829 58.100 -0.452 0.000 1.399 184 Y CB 0.021 37.917 38.460 -0.939 0.000 1.483 184 Y HN -0.171 nan 8.280 nan 0.000 0.420 185 L N 1.469 122.553 121.223 -0.231 0.000 2.141 185 L HA 0.106 1.904 4.340 -4.236 0.000 0.209 185 L C 1.325 178.080 176.870 -0.192 0.000 1.094 185 L CA 0.611 55.300 54.840 -0.251 0.000 0.763 185 L CB -0.831 41.204 42.059 -0.039 0.000 0.908 185 L HN 0.255 nan 8.230 nan 0.000 0.437 186 A N 0.037 122.798 122.820 -0.099 0.000 2.511 186 A HA 0.125 1.903 4.320 -4.236 0.000 0.242 186 A C 0.950 178.462 177.584 -0.120 0.000 1.069 186 A CA -0.035 51.974 52.037 -0.048 0.000 0.763 186 A CB 0.317 19.331 19.000 0.023 0.000 1.001 186 A HN 0.214 nan 8.150 nan 0.000 0.498 187 R N 1.029 121.454 120.500 -0.125 0.000 2.175 187 R HA 0.253 2.051 4.340 -4.236 0.000 0.202 187 R C 1.279 177.548 176.300 -0.053 0.000 1.018 187 R CA 1.224 57.206 56.100 -0.196 0.000 1.029 187 R CB -0.279 29.725 30.300 -0.493 0.000 0.959 187 R HN 0.858 nan 8.270 nan 0.000 0.480 188 V N -2.063 117.882 119.914 0.052 0.000 0.449 188 V HA -0.283 1.295 4.120 -4.236 0.000 0.092 188 V C 0.009 176.218 176.094 0.191 0.000 2.531 188 V CA 1.701 64.080 62.300 0.131 0.000 3.708 188 V CB -1.256 30.626 31.823 0.100 0.000 0.981 188 V HN 0.072 nan 8.190 nan 0.000 1.031 189 V N 0.448 120.445 119.914 0.138 0.000 2.569 189 V HA 0.616 2.194 4.120 -4.236 0.000 0.301 189 V C -0.621 175.518 176.094 0.075 0.000 1.044 189 V CA -0.482 61.905 62.300 0.145 0.000 0.874 189 V CB 1.701 33.617 31.823 0.156 0.000 1.002 189 V HN 0.277 nan 8.190 nan 0.000 0.424 190 F N 2.837 122.629 119.950 -0.264 0.000 2.429 190 F HA 0.407 2.388 4.527 -4.243 0.000 0.348 190 F C 0.572 176.148 175.800 -0.374 0.000 1.109 190 F CA 0.025 57.768 58.000 -0.428 0.000 1.232 190 F CB 0.854 39.245 39.000 -1.014 0.000 1.157 190 F HN 0.510 nan 8.300 nan 0.000 0.564 191 D N 3.063 123.382 120.400 -0.136 0.000 2.454 191 D HA 0.253 2.351 4.640 -4.236 0.000 0.247 191 D C -1.401 174.824 176.300 -0.125 0.000 1.129 191 D CA -0.418 53.439 54.000 -0.237 0.000 0.877 191 D CB 0.717 41.324 40.800 -0.323 0.000 1.082 191 D HN 0.390 nan 8.370 nan 0.000 0.537 192 Q N 2.834 122.607 119.800 -0.045 0.000 2.269 192 Q HA 0.330 2.128 4.340 -4.236 0.000 0.263 192 Q C -1.119 174.980 176.000 0.166 0.000 0.983 192 Q CA -0.413 55.470 55.803 0.133 0.000 0.777 192 Q CB 0.932 29.879 28.738 0.348 0.000 1.273 192 Q HN 0.353 nan 8.270 nan 0.000 0.440 193 D N 3.783 124.235 120.400 0.086 0.000 2.708 193 D HA -0.207 1.891 4.640 -4.236 0.000 0.236 193 D C 0.566 176.908 176.300 0.069 0.000 1.146 193 D CA 1.922 55.979 54.000 0.095 0.000 0.662 193 D CB -1.136 39.756 40.800 0.154 0.000 1.059 193 D HN 1.138 nan 8.370 nan 0.000 0.428 194 G N -1.142 107.585 108.800 -0.121 0.000 2.159 194 G HA2 -0.347 1.071 3.960 -4.236 0.000 0.256 194 G HA3 -0.347 1.071 3.960 -4.236 0.000 0.256 194 G C -0.101 174.417 174.900 -0.637 0.000 0.977 194 G CA 0.403 45.285 45.100 -0.363 0.000 0.652 194 G HN 0.472 nan 8.290 nan 0.000 0.531 195 Y N -0.642 119.564 120.300 -0.157 0.000 2.361 195 Y HA 0.637 2.643 4.550 -4.238 0.000 0.337 195 Y C 0.037 175.875 175.900 -0.102 0.000 0.965 195 Y CA -1.314 56.765 58.100 -0.036 0.000 1.091 195 Y CB 1.298 39.886 38.460 0.213 0.000 1.182 195 Y HN 0.129 nan 8.280 nan 0.000 0.450 196 Y N 3.599 123.990 120.300 0.152 0.000 2.308 196 Y HA 0.450 2.460 4.550 -4.235 0.000 0.329 196 Y C -0.404 175.493 175.900 -0.005 0.000 1.111 196 Y CA -1.036 56.966 58.100 -0.163 0.000 1.179 196 Y CB 0.621 38.826 38.460 -0.424 0.000 1.201 196 Y HN 0.531 nan 8.280 nan 0.000 0.483 197 Y N 0.099 120.376 120.300 -0.039 0.000 2.656 197 Y HA 0.661 2.667 4.550 -4.241 0.000 0.334 197 Y C -3.452 172.524 175.900 0.127 0.000 1.179 197 Y CA -3.708 54.422 58.100 0.050 0.000 1.050 197 Y CB 0.802 39.360 38.460 0.163 0.000 1.308 197 Y HN 0.254 nan 8.280 nan 0.000 0.456 198 P HA 0.059 nan 4.420 nan 0.000 0.271 198 P C -0.511 177.029 177.300 0.401 0.000 1.216 198 P CA 0.237 63.589 63.100 0.420 0.000 0.771 198 P CB 0.623 32.595 31.700 0.452 0.000 0.864 199 D N 1.937 122.584 120.400 0.412 0.000 2.488 199 D HA 0.180 2.278 4.640 -4.236 0.000 0.238 199 D C -0.322 176.178 176.300 0.333 0.000 1.138 199 D CA 0.946 55.222 54.000 0.461 0.000 0.873 199 D CB 0.233 41.262 40.800 0.383 0.000 1.183 199 D HN 0.387 nan 8.370 nan 0.000 0.458 200 S N 2.141 117.997 115.700 0.261 0.000 2.547 200 S HA 0.739 2.667 4.470 -4.236 0.000 0.270 200 S C -0.763 173.903 174.600 0.111 0.000 1.150 200 S CA -1.016 57.318 58.200 0.223 0.000 0.850 200 S CB 1.036 64.432 63.200 0.326 0.000 1.118 200 S HN 0.608 nan 8.310 nan 0.000 0.461 201 L N -0.889 120.360 121.223 0.044 0.000 2.622 201 L HA 0.988 2.786 4.340 -4.236 0.000 0.258 201 L C -1.367 175.397 176.870 -0.177 0.000 0.996 201 L CA -1.340 53.476 54.840 -0.040 0.000 0.858 201 L CB 1.686 43.775 42.059 0.049 0.000 1.449 201 L HN 0.829 nan 8.230 nan 0.000 0.411 202 V N -1.470 118.344 119.914 -0.166 0.000 2.680 202 V HA 1.032 2.610 4.120 -4.236 0.000 0.309 202 V C 0.170 176.249 176.094 -0.025 0.000 1.052 202 V CA 0.174 62.368 62.300 -0.177 0.000 0.908 202 V CB 0.992 32.694 31.823 -0.200 0.000 1.001 202 V HN 1.109 nan 8.190 nan 0.000 0.431 203 G N 1.132 109.954 108.800 0.037 0.000 2.481 203 G HA2 0.593 2.011 3.960 -4.236 0.000 0.315 203 G HA3 0.593 2.011 3.960 -4.236 0.000 0.315 203 G C 0.023 174.992 174.900 0.114 0.000 1.231 203 G CA -0.125 45.037 45.100 0.105 0.000 0.968 203 G HN 1.249 nan 8.290 nan 0.000 0.482 204 T N -0.863 113.755 114.554 0.108 0.000 3.783 204 T HA 0.426 2.235 4.350 -4.236 0.000 0.262 204 T C -0.385 174.386 174.700 0.119 0.000 1.381 204 T CA -0.502 61.656 62.100 0.096 0.000 1.155 204 T CB -0.193 68.717 68.868 0.070 0.000 1.256 204 T HN 0.465 nan 8.240 nan 0.000 0.807 205 D N 0.849 121.343 120.400 0.156 0.000 2.711 205 D HA 0.044 2.142 4.640 -4.236 0.000 0.204 205 D C 0.873 177.271 176.300 0.163 0.000 1.257 205 D CA -0.146 53.975 54.000 0.202 0.000 0.808 205 D CB 1.863 42.856 40.800 0.321 0.000 1.780 205 D HN 0.330 nan 8.370 nan 0.000 0.537 206 S N 2.133 117.860 115.700 0.045 0.000 2.442 206 S HA -0.175 1.753 4.470 -4.236 0.000 0.236 206 S C 1.041 175.507 174.600 -0.223 0.000 1.007 206 S CA 1.047 59.176 58.200 -0.118 0.000 0.965 206 S CB -0.421 62.625 63.200 -0.257 0.000 0.773 206 S HN 0.603 nan 8.310 nan 0.000 0.504 207 H N 0.782 119.925 119.070 0.121 0.000 2.567 207 H HA 0.309 2.322 4.556 -4.237 0.000 0.294 207 H C 1.417 176.489 175.328 -0.426 0.000 1.050 207 H CA 0.453 56.472 56.048 -0.048 0.000 1.168 207 H CB -0.153 29.631 29.762 0.036 0.000 1.422 207 H HN 0.319 nan 8.280 nan 0.000 0.562 208 T N -0.276 114.214 114.554 -0.107 0.000 2.849 208 T HA -0.190 1.618 4.350 -4.236 0.000 0.270 208 T C 2.234 176.887 174.700 -0.078 0.000 1.066 208 T CA 1.760 63.800 62.100 -0.101 0.000 1.130 208 T CB -0.314 68.641 68.868 0.145 0.000 0.864 208 T HN 0.670 nan 8.240 nan 0.000 0.481 209 T N 0.630 115.185 114.554 0.001 0.000 2.918 209 T HA -0.108 1.700 4.350 -4.236 0.000 0.271 209 T C 1.789 176.516 174.700 0.046 0.000 1.104 209 T CA 0.906 63.052 62.100 0.077 0.000 1.114 209 T CB -0.619 68.307 68.868 0.096 0.000 0.855 209 T HN 0.340 nan 8.240 nan 0.000 0.518 210 M N 0.105 119.666 119.600 -0.064 0.000 2.202 210 M HA -0.031 1.907 4.480 -4.236 0.000 0.262 210 M C 2.006 178.303 176.300 -0.006 0.000 1.063 210 M CA 1.486 56.757 55.300 -0.049 0.000 1.097 210 M CB -0.343 32.192 32.600 -0.109 0.000 1.382 210 M HN 0.291 nan 8.290 nan 0.000 0.413 211 I N 0.922 121.507 120.570 0.025 0.000 2.756 211 I HA -0.250 1.378 4.170 -4.236 0.000 0.262 211 I C 1.226 177.393 176.117 0.082 0.000 1.225 211 I CA 1.426 62.763 61.300 0.062 0.000 1.472 211 I CB -0.499 37.564 38.000 0.104 0.000 1.094 211 I HN 0.282 nan 8.210 nan 0.000 0.454 212 D N 0.294 120.772 120.400 0.131 0.000 2.263 212 D HA -0.106 1.992 4.640 -4.236 0.000 0.208 212 D C 2.206 178.573 176.300 0.112 0.000 0.971 212 D CA 1.204 55.320 54.000 0.194 0.000 0.867 212 D CB -0.445 40.540 40.800 0.308 0.000 0.929 212 D HN 0.493 nan 8.370 nan 0.000 0.492 213 G N 0.643 109.460 108.800 0.028 0.000 2.448 213 G HA2 -0.190 1.228 3.960 -4.236 0.000 0.219 213 G HA3 -0.190 1.228 3.960 -4.236 0.000 0.219 213 G C 1.391 176.144 174.900 -0.245 0.000 1.127 213 G CA 0.121 45.100 45.100 -0.202 0.000 0.766 213 G HN 0.257 nan 8.290 nan 0.000 0.552 214 L N 0.407 121.537 121.223 -0.155 0.000 2.592 214 L HA 0.415 2.214 4.340 -4.236 0.000 0.227 214 L C 1.746 178.575 176.870 -0.068 0.000 1.127 214 L CA 0.971 55.729 54.840 -0.137 0.000 0.884 214 L CB -0.058 41.942 42.059 -0.098 0.000 1.065 214 L HN 0.354 nan 8.230 nan 0.000 0.457 215 G N 0.284 109.013 108.800 -0.119 0.000 2.132 215 G HA2 -0.266 1.152 3.960 -4.236 0.000 0.234 215 G HA3 -0.266 1.152 3.960 -4.236 0.000 0.234 215 G C 0.221 175.216 174.900 0.158 0.000 0.989 215 G CA 0.299 45.272 45.100 -0.212 0.000 0.676 215 G HN 0.324 nan 8.290 nan 0.000 0.522 216 I N 0.722 121.428 120.570 0.226 0.000 2.315 216 I HA 0.420 2.048 4.170 -4.236 0.000 0.291 216 I C 0.585 176.970 176.117 0.446 0.000 1.006 216 I CA -1.028 60.475 61.300 0.338 0.000 1.265 216 I CB 1.419 39.555 38.000 0.226 0.000 1.387 216 I HN 0.110 nan 8.210 nan 0.000 0.475 217 L N 7.154 128.663 121.223 0.477 0.000 2.418 217 L HA 0.645 2.443 4.340 -4.236 0.000 0.274 217 L C 0.278 177.241 176.870 0.155 0.000 1.135 217 L CA 0.706 55.722 54.840 0.294 0.000 0.870 217 L CB 0.125 42.206 42.059 0.036 0.000 1.154 217 L HN 0.707 nan 8.230 nan 0.000 0.462 218 G N 3.838 112.718 108.800 0.134 0.000 2.691 218 G HA2 0.519 1.937 3.960 -4.236 0.000 0.298 218 G HA3 0.519 1.937 3.960 -4.236 0.000 0.298 218 G C -2.232 172.751 174.900 0.139 0.000 1.471 218 G CA -0.320 44.765 45.100 -0.026 0.000 0.912 218 G HN 0.857 nan 8.290 nan 0.000 0.553 219 W N 0.413 121.780 121.300 0.113 0.000 3.025 219 W HA 0.785 2.905 4.660 -4.232 0.000 0.343 219 W C 0.235 176.807 176.519 0.088 0.000 1.246 219 W CA -1.495 55.893 57.345 0.072 0.000 1.178 219 W CB 0.765 30.255 29.460 0.050 0.000 1.463 219 W HN 1.011 nan 8.180 nan 0.000 0.578 220 G N 1.038 110.053 108.800 0.359 0.000 2.406 220 G HA2 0.504 1.922 3.960 -4.236 0.000 0.251 220 G HA3 0.504 1.922 3.960 -4.236 0.000 0.251 220 G C -0.727 174.364 174.900 0.319 0.000 1.271 220 G CA 0.014 45.262 45.100 0.247 0.000 0.859 220 G HN 1.345 nan 8.290 nan 0.000 0.540 221 V N 0.321 120.361 119.914 0.210 0.000 3.074 221 V HA 0.959 2.537 4.120 -4.236 0.000 0.314 221 V C 0.708 176.863 176.094 0.102 0.000 1.117 221 V CA -0.550 61.861 62.300 0.184 0.000 1.014 221 V CB 1.367 33.291 31.823 0.168 0.000 1.057 221 V HN 1.019 nan 8.190 nan 0.000 0.438 222 G N 0.559 109.398 108.800 0.066 0.000 2.569 222 G HA2 0.433 1.851 3.960 -4.236 0.000 0.249 222 G HA3 0.433 1.851 3.960 -4.236 0.000 0.249 222 G C 1.025 175.913 174.900 -0.020 0.000 1.216 222 G CA 0.016 45.126 45.100 0.016 0.000 0.845 222 G HN 1.552 nan 8.290 nan 0.000 0.568 223 G N 0.691 109.462 108.800 -0.047 0.000 2.469 223 G HA2 -0.286 1.133 3.960 -4.236 0.000 0.219 223 G HA3 -0.286 1.133 3.960 -4.236 0.000 0.219 223 G C 1.678 176.488 174.900 -0.149 0.000 1.150 223 G CA 1.395 46.445 45.100 -0.082 0.000 0.763 223 G HN 0.851 nan 8.290 nan 0.000 0.561 224 I N -1.458 118.998 120.570 -0.188 0.000 2.315 224 I HA 0.026 1.654 4.170 -4.236 0.000 0.248 224 I C 2.336 178.345 176.117 -0.181 0.000 1.117 224 I CA 2.052 63.214 61.300 -0.230 0.000 1.404 224 I CB -0.464 37.365 38.000 -0.286 0.000 1.071 224 I HN 0.260 nan 8.210 nan 0.000 0.419 225 E N 1.866 121.996 120.200 -0.117 0.000 2.072 225 E HA -0.184 1.625 4.350 -4.236 0.000 0.191 225 E C 2.352 178.930 176.600 -0.037 0.000 0.985 225 E CA 1.362 57.728 56.400 -0.057 0.000 0.801 225 E CB -0.086 29.624 29.700 0.016 0.000 0.750 225 E HN 0.600 nan 8.360 nan 0.000 0.452 226 A N 0.946 123.744 122.820 -0.036 0.000 1.940 226 A HA -0.250 1.528 4.320 -4.236 0.000 0.219 226 A C 1.893 179.465 177.584 -0.020 0.000 1.176 226 A CA 1.796 53.822 52.037 -0.018 0.000 0.631 226 A CB -0.505 18.493 19.000 -0.004 0.000 0.814 226 A HN 0.331 nan 8.150 nan 0.000 0.446 227 E N -0.312 119.820 120.200 -0.114 0.000 2.047 227 E HA -0.050 1.758 4.350 -4.236 0.000 0.191 227 E C 2.378 178.976 176.600 -0.003 0.000 0.987 227 E CA 0.893 57.189 56.400 -0.172 0.000 0.799 227 E CB -0.322 29.050 29.700 -0.546 0.000 0.752 227 E HN 0.607 nan 8.360 nan 0.000 0.449 228 A N 0.962 123.751 122.820 -0.053 0.000 1.892 228 A HA -0.206 1.572 4.320 -4.236 0.000 0.218 228 A C 2.517 180.124 177.584 0.039 0.000 1.188 228 A CA 1.556 53.589 52.037 -0.007 0.000 0.631 228 A CB -0.893 18.072 19.000 -0.058 0.000 0.822 228 A HN 0.140 nan 8.150 nan 0.000 0.447 229 V N -0.233 119.694 119.914 0.021 0.000 2.295 229 V HA -0.322 1.256 4.120 -4.236 0.000 0.246 229 V C 2.642 178.750 176.094 0.023 0.000 1.049 229 V CA 2.287 64.588 62.300 0.003 0.000 1.024 229 V CB -0.651 31.152 31.823 -0.033 0.000 0.648 229 V HN 0.588 nan 8.190 nan 0.000 0.447 230 M N -0.842 118.803 119.600 0.076 0.000 2.279 230 M HA -0.124 1.814 4.480 -4.236 0.000 0.264 230 M C 1.673 178.030 176.300 0.094 0.000 1.062 230 M CA 1.656 57.021 55.300 0.107 0.000 1.099 230 M CB -0.266 32.473 32.600 0.232 0.000 1.394 230 M HN 0.274 nan 8.290 nan 0.000 0.426 231 L N -0.642 120.655 121.223 0.123 0.000 2.627 231 L HA 0.164 1.962 4.340 -4.236 0.000 0.232 231 L C 1.244 178.150 176.870 0.060 0.000 1.150 231 L CA 0.172 55.070 54.840 0.096 0.000 0.917 231 L CB -0.430 41.708 42.059 0.132 0.000 1.104 231 L HN 0.599 nan 8.230 nan 0.000 0.445 232 G N -0.086 108.738 108.800 0.039 0.000 2.176 232 G HA2 -0.303 1.115 3.960 -4.236 0.000 0.232 232 G HA3 -0.303 1.115 3.960 -4.236 0.000 0.232 232 G C 0.194 175.115 174.900 0.035 0.000 0.986 232 G CA -0.118 44.994 45.100 0.021 0.000 0.643 232 G HN 0.376 nan 8.290 nan 0.000 0.522 233 Q N 2.010 121.847 119.800 0.061 0.000 2.295 233 Q HA 0.550 2.348 4.340 -4.236 0.000 0.259 233 Q C -2.040 173.997 176.000 0.062 0.000 0.976 233 Q CA -2.036 53.827 55.803 0.101 0.000 0.923 233 Q CB 1.160 29.991 28.738 0.155 0.000 1.185 233 Q HN 0.304 nan 8.270 nan 0.000 0.410 234 P HA 0.047 nan 4.420 nan 0.000 0.271 234 P C -0.498 176.856 177.300 0.089 0.000 1.216 234 P CA 0.086 63.203 63.100 0.029 0.000 0.776 234 P CB 0.637 32.359 31.700 0.038 0.000 0.881 235 I N 1.323 121.952 120.570 0.098 0.000 2.710 235 I HA -0.011 1.618 4.170 -4.236 0.000 0.286 235 I C 1.233 177.473 176.117 0.205 0.000 1.181 235 I CA 0.677 62.095 61.300 0.197 0.000 1.430 235 I CB 0.262 38.446 38.000 0.307 0.000 1.367 235 I HN 0.319 nan 8.210 nan 0.000 0.577 236 S N 8.250 124.051 115.700 0.169 0.000 2.437 236 S HA 0.794 2.722 4.470 -4.236 0.000 0.305 236 S C -0.508 174.160 174.600 0.113 0.000 1.109 236 S CA -0.830 57.432 58.200 0.103 0.000 1.099 236 S CB 0.516 63.718 63.200 0.003 0.000 1.004 236 S HN 0.544 nan 8.310 nan 0.000 0.475 237 M N 3.125 122.783 119.600 0.097 0.000 2.470 237 M HA 0.600 2.538 4.480 -4.236 0.000 0.285 237 M C -1.316 174.985 176.300 0.003 0.000 1.213 237 M CA -1.085 54.252 55.300 0.061 0.000 0.901 237 M CB 1.441 34.100 32.600 0.099 0.000 1.718 237 M HN 0.186 nan 8.290 nan 0.000 0.469 238 V N 2.487 122.382 119.914 -0.032 0.000 2.655 238 V HA 0.036 1.614 4.120 -4.236 0.000 0.300 238 V C 0.253 176.288 176.094 -0.098 0.000 1.044 238 V CA -0.415 61.850 62.300 -0.059 0.000 1.095 238 V CB 0.838 32.622 31.823 -0.065 0.000 0.952 238 V HN 0.735 nan 8.190 nan 0.000 0.485 239 L N 9.398 130.566 121.223 -0.091 0.000 2.500 239 L HA 0.279 2.077 4.340 -4.236 0.000 0.272 239 L C -1.705 175.070 176.870 -0.159 0.000 1.149 239 L CA -0.731 54.047 54.840 -0.103 0.000 0.897 239 L CB 0.258 42.295 42.059 -0.037 0.000 1.178 239 L HN 0.503 nan 8.230 nan 0.000 0.473 240 P HA 0.117 nan 4.420 nan 0.000 0.277 240 P C -1.178 176.065 177.300 -0.095 0.000 1.240 240 P CA -0.536 62.363 63.100 -0.335 0.000 0.798 240 P CB 0.696 31.881 31.700 -0.858 0.000 0.979 241 Q N 0.055 119.811 119.800 -0.074 0.000 2.368 241 Q HA 0.392 2.190 4.340 -4.236 0.000 0.237 241 Q C -0.546 175.551 176.000 0.162 0.000 0.987 241 Q CA -0.542 55.293 55.803 0.054 0.000 0.896 241 Q CB 0.783 29.507 28.738 -0.023 0.000 1.241 241 Q HN 0.222 nan 8.270 nan 0.000 0.485 242 V N 3.184 123.309 119.914 0.352 0.000 2.409 242 V HA 0.218 1.797 4.120 -4.236 0.000 0.290 242 V C -0.478 175.771 176.094 0.259 0.000 1.017 242 V CA -0.774 61.710 62.300 0.307 0.000 0.841 242 V CB 1.303 33.292 31.823 0.277 0.000 1.003 242 V HN 0.624 nan 8.190 nan 0.000 0.426 243 I N 4.007 124.645 120.570 0.114 0.000 2.452 243 I HA 0.277 1.905 4.170 -4.236 0.000 0.287 243 I C 1.195 177.184 176.117 -0.213 0.000 1.079 243 I CA 0.430 61.730 61.300 -0.000 0.000 1.387 243 I CB 0.915 38.903 38.000 -0.019 0.000 1.404 243 I HN 0.690 nan 8.210 nan 0.000 0.522 244 G N 6.435 114.964 108.800 -0.453 0.000 2.349 244 G HA2 0.178 1.597 3.960 -4.236 0.000 0.281 244 G HA3 0.178 1.597 3.960 -4.236 0.000 0.281 244 G C -1.033 173.725 174.900 -0.235 0.000 1.182 244 G CA -0.207 44.305 45.100 -0.980 0.000 0.899 244 G HN 0.543 nan 8.290 nan 0.000 0.455 245 Y N 3.153 123.227 120.300 -0.376 0.000 2.417 245 Y HA 0.404 2.412 4.550 -4.236 0.000 0.336 245 Y C 0.793 176.488 175.900 -0.342 0.000 0.961 245 Y CA -0.912 56.952 58.100 -0.393 0.000 1.215 245 Y CB 0.813 38.792 38.460 -0.803 0.000 1.120 245 Y HN 0.498 nan 8.280 nan 0.000 0.499 246 R N 6.911 127.037 120.500 -0.623 0.000 2.202 246 R HA 0.428 2.226 4.340 -4.236 0.000 0.334 246 R C -1.431 174.604 176.300 -0.442 0.000 1.036 246 R CA -0.360 55.233 56.100 -0.845 0.000 0.878 246 R CB 0.333 30.117 30.300 -0.858 0.000 1.067 246 R HN 0.735 nan 8.270 nan 0.000 0.457 247 L N 6.032 127.108 121.223 -0.246 0.000 2.289 247 L HA 0.467 2.265 4.340 -4.236 0.000 0.285 247 L C -0.087 176.713 176.870 -0.117 0.000 1.049 247 L CA -0.468 54.323 54.840 -0.081 0.000 0.804 247 L CB 1.595 43.686 42.059 0.053 0.000 1.195 247 L HN 0.580 nan 8.230 nan 0.000 0.428 248 M N 1.263 120.812 119.600 -0.084 0.000 2.619 248 M HA 0.700 2.638 4.480 -4.236 0.000 0.297 248 M C 0.427 176.703 176.300 -0.040 0.000 1.229 248 M CA -0.233 55.026 55.300 -0.069 0.000 0.860 248 M CB 2.297 34.850 32.600 -0.078 0.000 1.741 248 M HN 0.767 nan 8.290 nan 0.000 0.462 249 G N 1.752 110.534 108.800 -0.031 0.000 2.645 249 G HA2 -0.212 1.206 3.960 -4.236 0.000 0.246 249 G HA3 -0.212 1.206 3.960 -4.236 0.000 0.246 249 G C -1.186 173.703 174.900 -0.018 0.000 1.322 249 G CA -0.142 44.946 45.100 -0.021 0.000 0.898 249 G HN 0.844 nan 8.290 nan 0.000 0.573 250 K N 1.324 121.717 120.400 -0.013 0.000 2.324 250 K HA 0.703 2.481 4.320 -4.236 0.000 0.253 250 K C -2.382 174.218 176.600 -0.000 0.000 0.932 250 K CA -1.857 54.421 56.287 -0.014 0.000 0.799 250 K CB 2.212 34.699 32.500 -0.022 0.000 1.154 250 K HN 0.459 nan 8.250 nan 0.000 0.425 251 P HA 0.009 nan 4.420 nan 0.000 0.275 251 P C -0.719 176.606 177.300 0.041 0.000 1.228 251 P CA -0.085 63.033 63.100 0.031 0.000 0.786 251 P CB 0.459 32.173 31.700 0.024 0.000 0.927 252 H N 4.203 123.264 119.070 -0.015 0.000 2.972 252 H HA -0.014 2.000 4.556 -4.237 0.000 0.343 252 H C -1.360 173.964 175.328 -0.007 0.000 1.054 252 H CA -0.611 55.427 56.048 -0.018 0.000 1.412 252 H CB 0.384 30.128 29.762 -0.030 0.000 1.385 252 H HN 0.211 nan 8.280 nan 0.000 0.600 253 P HA -0.117 nan 4.420 nan 0.000 0.220 253 P C 1.154 178.488 177.300 0.057 0.000 1.144 253 P CA 1.145 64.147 63.100 -0.163 0.000 0.800 253 P CB 0.132 31.682 31.700 -0.250 0.000 0.772 254 L N -2.318 119.058 121.223 0.255 0.000 2.592 254 L HA 0.101 1.899 4.340 -4.236 0.000 0.227 254 L C 0.471 177.456 176.870 0.192 0.000 1.127 254 L CA -0.213 54.768 54.840 0.235 0.000 0.884 254 L CB -0.021 42.068 42.059 0.049 0.000 1.065 254 L HN -0.235 nan 8.230 nan 0.000 0.457 255 V N 1.045 121.064 119.914 0.175 0.000 2.488 255 V HA 0.118 1.696 4.120 -4.236 0.000 0.277 255 V C 0.835 177.002 176.094 0.121 0.000 1.046 255 V CA -0.265 62.106 62.300 0.118 0.000 0.986 255 V CB 1.329 33.208 31.823 0.092 0.000 0.989 255 V HN 0.371 nan 8.190 nan 0.000 0.475 256 T N 1.496 116.129 114.554 0.130 0.000 2.874 256 T HA 0.209 2.017 4.350 -4.236 0.000 0.281 256 T C 1.291 176.026 174.700 0.059 0.000 0.994 256 T CA -0.002 62.162 62.100 0.107 0.000 1.015 256 T CB 1.266 70.219 68.868 0.141 0.000 1.028 256 T HN 0.711 nan 8.240 nan 0.000 0.523 257 S N 0.155 115.873 115.700 0.030 0.000 2.474 257 S HA -0.095 1.833 4.470 -4.236 0.000 0.235 257 S C 1.756 176.367 174.600 0.019 0.000 0.997 257 S CA 0.900 59.101 58.200 0.001 0.000 0.949 257 S CB -1.124 62.056 63.200 -0.034 0.000 0.766 257 S HN 0.812 nan 8.310 nan 0.000 0.517 258 T N 2.511 117.092 114.554 0.044 0.000 2.812 258 T HA -0.048 1.760 4.350 -4.236 0.000 0.264 258 T C 1.336 176.076 174.700 0.068 0.000 1.042 258 T CA 1.252 63.387 62.100 0.058 0.000 1.140 258 T CB -0.440 68.473 68.868 0.075 0.000 0.870 258 T HN 0.425 nan 8.240 nan 0.000 0.445 259 D N 1.354 121.796 120.400 0.071 0.000 2.123 259 D HA -0.053 2.045 4.640 -4.236 0.000 0.196 259 D C 2.061 178.396 176.300 0.058 0.000 0.992 259 D CA 0.922 54.961 54.000 0.065 0.000 0.833 259 D CB -0.322 40.511 40.800 0.056 0.000 0.954 259 D HN 0.372 nan 8.370 nan 0.000 0.455 260 I N 0.499 121.099 120.570 0.049 0.000 2.142 260 I HA -0.207 1.421 4.170 -4.236 0.000 0.240 260 I C 2.636 178.788 176.117 0.058 0.000 1.078 260 I CA 0.641 61.970 61.300 0.048 0.000 1.343 260 I CB -0.262 37.753 38.000 0.024 0.000 1.046 260 I HN -0.111 nan 8.210 nan 0.000 0.405 261 V N 0.812 120.759 119.914 0.055 0.000 2.427 261 V HA -0.228 1.350 4.120 -4.236 0.000 0.248 261 V C 2.343 178.502 176.094 0.108 0.000 1.051 261 V CA 1.648 63.998 62.300 0.084 0.000 1.048 261 V CB -0.130 31.744 31.823 0.086 0.000 0.666 261 V HN 0.254 nan 8.190 nan 0.000 0.456 262 L N 0.129 121.408 121.223 0.093 0.000 2.083 262 L HA -0.109 1.689 4.340 -4.236 0.000 0.209 262 L C 2.619 179.544 176.870 0.092 0.000 1.083 262 L CA 2.619 57.516 54.840 0.095 0.000 0.752 262 L CB -1.572 40.539 42.059 0.087 0.000 0.899 262 L HN 0.374 nan 8.230 nan 0.000 0.433 263 T N -0.569 114.035 114.554 0.084 0.000 2.737 263 T HA -0.101 1.707 4.350 -4.236 0.000 0.265 263 T C 2.039 176.807 174.700 0.113 0.000 1.038 263 T CA 1.250 63.401 62.100 0.086 0.000 1.144 263 T CB -0.161 68.751 68.868 0.073 0.000 0.866 263 T HN 0.184 nan 8.240 nan 0.000 0.434 264 I N 1.138 121.763 120.570 0.092 0.000 2.286 264 I HA -0.191 1.437 4.170 -4.236 0.000 0.248 264 I C 2.687 178.754 176.117 -0.083 0.000 1.115 264 I CA 1.069 62.376 61.300 0.012 0.000 1.392 264 I CB -0.620 37.319 38.000 -0.102 0.000 1.065 264 I HN 0.264 nan 8.210 nan 0.000 0.418 265 T N 0.548 115.130 114.554 0.047 0.000 2.622 265 T HA -0.267 1.541 4.350 -4.236 0.000 0.266 265 T C 1.940 176.713 174.700 0.121 0.000 1.047 265 T CA 1.742 63.946 62.100 0.174 0.000 1.159 265 T CB -0.237 68.783 68.868 0.254 0.000 0.863 265 T HN 0.300 nan 8.240 nan 0.000 0.422 266 K N 0.095 120.563 120.400 0.113 0.000 2.044 266 K HA -0.242 1.536 4.320 -4.236 0.000 0.210 266 K C 2.259 178.944 176.600 0.140 0.000 1.049 266 K CA 1.783 58.134 56.287 0.106 0.000 0.927 266 K CB -0.308 32.247 32.500 0.092 0.000 0.713 266 K HN 0.594 nan 8.250 nan 0.000 0.443 267 H N 0.142 119.231 119.070 0.032 0.000 2.299 267 H HA -0.082 1.932 4.556 -4.236 0.000 0.302 267 H C 2.185 177.534 175.328 0.034 0.000 1.078 267 H CA 1.629 57.704 56.048 0.045 0.000 1.323 267 H CB 0.053 29.868 29.762 0.088 0.000 1.381 267 H HN 0.188 nan 8.280 nan 0.000 0.498 268 L N 0.365 121.497 121.223 -0.151 0.000 2.131 268 L HA -0.156 1.642 4.340 -4.236 0.000 0.210 268 L C 2.878 179.720 176.870 -0.047 0.000 1.092 268 L CA 0.618 55.323 54.840 -0.224 0.000 0.759 268 L CB -0.297 41.511 42.059 -0.419 0.000 0.903 268 L HN 0.244 nan 8.230 nan 0.000 0.435 269 R N 0.175 120.699 120.500 0.040 0.000 2.120 269 R HA -0.163 1.635 4.340 -4.236 0.000 0.234 269 R C 2.110 178.439 176.300 0.049 0.000 1.123 269 R CA 1.292 57.436 56.100 0.073 0.000 0.975 269 R CB -0.337 30.017 30.300 0.090 0.000 0.866 269 R HN 0.534 nan 8.270 nan 0.000 0.446 270 Q N -0.562 119.269 119.800 0.051 0.000 2.269 270 Q HA 0.008 1.806 4.340 -4.236 0.000 0.201 270 Q C 1.970 177.993 176.000 0.038 0.000 0.946 270 Q CA 0.613 56.452 55.803 0.060 0.000 0.877 270 Q CB 0.371 29.173 28.738 0.106 0.000 0.963 270 Q HN 0.060 nan 8.270 nan 0.000 0.472 271 V N -0.287 119.622 119.914 -0.009 0.000 2.591 271 V HA 0.041 1.619 4.120 -4.236 0.000 0.249 271 V C 0.860 176.952 176.094 -0.004 0.000 1.053 271 V CA 0.973 63.257 62.300 -0.027 0.000 1.068 271 V CB -0.514 31.240 31.823 -0.114 0.000 0.689 271 V HN 0.531 nan 8.190 nan 0.000 0.462 272 G N 0.817 109.620 108.800 0.005 0.000 3.414 272 G HA2 -0.071 1.348 3.960 -4.236 0.000 0.504 272 G HA3 -0.071 1.348 3.960 -4.236 0.000 0.504 272 G C -0.126 174.789 174.900 0.025 0.000 0.936 272 G CA 0.076 45.191 45.100 0.025 0.000 0.748 272 G HN 1.224 nan 8.290 nan 0.000 0.408 273 V N 0.238 120.178 119.914 0.043 0.000 3.017 273 V HA 0.517 2.095 4.120 -4.236 0.000 0.354 273 V C 0.909 177.042 176.094 0.064 0.000 1.389 273 V CA -0.016 62.313 62.300 0.050 0.000 1.163 273 V CB 0.484 32.337 31.823 0.050 0.000 1.178 273 V HN 1.034 nan 8.190 nan 0.000 0.547 274 V N 2.551 122.499 119.914 0.057 0.000 2.599 274 V HA 0.532 2.110 4.120 -4.236 0.000 0.300 274 V C 1.749 177.866 176.094 0.039 0.000 1.034 274 V CA 1.510 63.841 62.300 0.052 0.000 1.115 274 V CB 0.065 31.920 31.823 0.053 0.000 0.934 274 V HN 1.114 nan 8.190 nan 0.000 0.485 275 G N 3.841 112.658 108.800 0.029 0.000 2.159 275 G HA2 -0.223 1.195 3.960 -4.236 0.000 0.256 275 G HA3 -0.223 1.195 3.960 -4.236 0.000 0.256 275 G C 0.081 174.979 174.900 -0.003 0.000 0.977 275 G CA 0.339 45.440 45.100 0.002 0.000 0.652 275 G HN 0.637 nan 8.290 nan 0.000 0.531 276 K N -0.687 119.742 120.400 0.048 0.000 2.340 276 K HA 0.708 2.486 4.320 -4.236 0.000 0.244 276 K C -0.758 175.989 176.600 0.245 0.000 0.973 276 K CA -1.071 55.265 56.287 0.082 0.000 0.828 276 K CB 1.307 33.850 32.500 0.072 0.000 1.226 276 K HN -0.062 nan 8.250 nan 0.000 0.437 277 F N 1.136 121.065 119.950 -0.034 0.000 2.384 277 F HA 0.265 2.249 4.527 -4.237 0.000 0.338 277 F C 0.257 176.048 175.800 -0.015 0.000 1.103 277 F CA -1.126 56.856 58.000 -0.030 0.000 1.157 277 F CB 1.255 40.226 39.000 -0.047 0.000 1.167 277 F HN 0.014 nan 8.300 nan 0.000 0.529 278 V N 2.964 122.950 119.914 0.120 0.000 2.417 278 V HA 0.328 1.906 4.120 -4.236 0.000 0.291 278 V C -0.339 175.699 176.094 -0.093 0.000 1.024 278 V CA -0.832 61.426 62.300 -0.070 0.000 0.861 278 V CB 1.576 33.288 31.823 -0.186 0.000 0.985 278 V HN 0.717 nan 8.190 nan 0.000 0.436 279 E N 3.627 123.733 120.200 -0.156 0.000 2.187 279 E HA 0.564 2.372 4.350 -4.236 0.000 0.268 279 E C -1.503 174.948 176.600 -0.249 0.000 0.896 279 E CA -0.602 55.785 56.400 -0.022 0.000 0.766 279 E CB 1.303 31.176 29.700 0.289 0.000 1.142 279 E HN 0.483 nan 8.360 nan 0.000 0.408 280 F N 4.734 124.599 119.950 -0.142 0.000 2.379 280 F HA 0.499 2.484 4.527 -4.237 0.000 0.332 280 F C 0.156 176.131 175.800 0.292 0.000 1.096 280 F CA -0.203 57.722 58.000 -0.125 0.000 1.105 280 F CB 0.723 39.257 39.000 -0.777 0.000 1.189 280 F HN 0.445 nan 8.300 nan 0.000 0.515 281 F N -0.909 119.167 119.950 0.209 0.000 3.052 281 F HA 0.882 2.867 4.527 -4.237 0.000 0.323 281 F C -0.278 175.652 175.800 0.217 0.000 1.178 281 F CA -0.957 57.256 58.000 0.355 0.000 0.892 281 F CB 1.270 40.500 39.000 0.383 0.000 1.416 281 F HN 0.882 nan 8.300 nan 0.000 0.488 282 G N 0.150 108.977 108.800 0.046 0.000 2.555 282 G HA2 0.108 1.526 3.960 -4.236 0.000 0.686 282 G HA3 0.108 1.526 3.960 -4.236 0.000 0.686 282 G C -2.991 171.930 174.900 0.034 0.000 1.275 282 G CA -0.460 44.561 45.100 -0.131 0.000 0.871 282 G HN 0.606 nan 8.290 nan 0.000 0.603 283 P HA 0.008 nan 4.420 nan 0.000 0.218 283 P C 2.046 179.338 177.300 -0.012 0.000 1.149 283 P CA 2.017 65.134 63.100 0.029 0.000 0.817 283 P CB -0.053 31.655 31.700 0.012 0.000 0.785 284 G N -0.184 108.589 108.800 -0.045 0.000 2.432 284 G HA2 -0.216 1.203 3.960 -4.236 0.000 0.219 284 G HA3 -0.216 1.203 3.960 -4.236 0.000 0.219 284 G C 1.599 176.443 174.900 -0.094 0.000 1.135 284 G CA 0.523 45.591 45.100 -0.055 0.000 0.767 284 G HN 0.161 nan 8.290 nan 0.000 0.550 285 V N 1.508 121.329 119.914 -0.156 0.000 2.343 285 V HA -0.150 1.428 4.120 -4.236 0.000 0.247 285 V C 3.303 179.186 176.094 -0.351 0.000 1.051 285 V CA 1.917 64.022 62.300 -0.324 0.000 1.036 285 V CB -0.781 30.619 31.823 -0.704 0.000 0.654 285 V HN 0.464 nan 8.190 nan 0.000 0.451 286 A N 0.419 123.104 122.820 -0.225 0.000 2.019 286 A HA -0.273 1.506 4.320 -4.236 0.000 0.219 286 A C 2.237 179.772 177.584 -0.082 0.000 1.164 286 A CA 1.861 53.844 52.037 -0.090 0.000 0.644 286 A CB -0.460 18.564 19.000 0.041 0.000 0.805 286 A HN 0.775 nan 8.150 nan 0.000 0.449 287 Q N -1.173 118.576 119.800 -0.086 0.000 2.389 287 Q HA 0.100 1.899 4.340 -4.236 0.000 0.204 287 Q C -0.343 175.598 176.000 -0.097 0.000 0.944 287 Q CA 0.129 55.889 55.803 -0.071 0.000 0.908 287 Q CB -0.261 28.445 28.738 -0.053 0.000 1.002 287 Q HN 0.367 nan 8.270 nan 0.000 0.493 288 L N 3.342 124.478 121.223 -0.146 0.000 2.319 288 L HA 0.169 1.968 4.340 -4.236 0.000 0.280 288 L C 0.279 177.024 176.870 -0.208 0.000 1.099 288 L CA 0.016 54.744 54.840 -0.186 0.000 0.828 288 L CB 1.326 43.233 42.059 -0.253 0.000 1.150 288 L HN 0.261 nan 8.230 nan 0.000 0.442 289 S N 3.812 119.409 115.700 -0.173 0.000 2.596 289 S HA 0.162 2.090 4.470 -4.236 0.000 0.260 289 S C 1.465 175.903 174.600 -0.270 0.000 1.336 289 S CA -0.637 57.465 58.200 -0.164 0.000 0.993 289 S CB 0.647 63.785 63.200 -0.102 0.000 0.923 289 S HN 0.420 nan 8.310 nan 0.000 0.567 290 I N 1.283 121.679 120.570 -0.291 0.000 2.252 290 I HA -0.122 1.506 4.170 -4.236 0.000 0.245 290 I C 2.911 178.749 176.117 -0.465 0.000 1.102 290 I CA 1.619 62.633 61.300 -0.476 0.000 1.385 290 I CB -2.336 35.214 38.000 -0.749 0.000 1.064 290 I HN 0.884 nan 8.210 nan 0.000 0.414 291 A N 0.949 123.571 122.820 -0.330 0.000 1.903 291 A HA -0.265 1.513 4.320 -4.236 0.000 0.219 291 A C 1.983 179.441 177.584 -0.209 0.000 1.191 291 A CA 2.310 54.230 52.037 -0.195 0.000 0.638 291 A CB -0.762 18.204 19.000 -0.056 0.000 0.823 291 A HN 0.406 nan 8.150 nan 0.000 0.451 292 D N -0.628 119.636 120.400 -0.226 0.000 2.123 292 D HA -0.144 1.954 4.640 -4.236 0.000 0.196 292 D C 2.186 178.249 176.300 -0.394 0.000 0.992 292 D CA 1.392 55.246 54.000 -0.243 0.000 0.833 292 D CB -0.404 40.269 40.800 -0.212 0.000 0.954 292 D HN 0.514 nan 8.370 nan 0.000 0.455 293 R N 0.717 120.846 120.500 -0.618 0.000 2.081 293 R HA 0.001 1.799 4.340 -4.236 0.000 0.235 293 R C 2.340 178.183 176.300 -0.763 0.000 1.131 293 R CA 1.196 56.602 56.100 -1.156 0.000 0.960 293 R CB -0.277 29.122 30.300 -1.502 0.000 0.856 293 R HN 0.103 nan 8.270 nan 0.000 0.436 294 A N 0.455 123.000 122.820 -0.459 0.000 1.933 294 A HA -0.136 1.642 4.320 -4.236 0.000 0.218 294 A C 2.139 179.640 177.584 -0.139 0.000 1.175 294 A CA 1.785 53.676 52.037 -0.243 0.000 0.628 294 A CB -0.713 18.168 19.000 -0.198 0.000 0.814 294 A HN 0.250 nan 8.150 nan 0.000 0.444 295 T N 0.436 114.903 114.554 -0.145 0.000 2.708 295 T HA -0.108 1.700 4.350 -4.236 0.000 0.266 295 T C 1.780 176.464 174.700 -0.026 0.000 1.037 295 T CA 1.620 63.678 62.100 -0.069 0.000 1.146 295 T CB -0.419 68.409 68.868 -0.067 0.000 0.865 295 T HN 0.453 nan 8.240 nan 0.000 0.435 296 I N 1.277 121.806 120.570 -0.070 0.000 2.226 296 I HA -0.148 1.480 4.170 -4.236 0.000 0.245 296 I C 2.883 179.119 176.117 0.200 0.000 1.100 296 I CA 1.134 62.460 61.300 0.043 0.000 1.374 296 I CB -0.444 37.507 38.000 -0.082 0.000 1.057 296 I HN 0.179 nan 8.210 nan 0.000 0.413 297 A N 0.698 123.615 122.820 0.160 0.000 1.969 297 A HA -0.218 1.560 4.320 -4.236 0.000 0.218 297 A C 2.187 179.844 177.584 0.123 0.000 1.169 297 A CA 1.628 53.804 52.037 0.233 0.000 0.635 297 A CB -0.825 18.309 19.000 0.224 0.000 0.810 297 A HN 0.510 nan 8.150 nan 0.000 0.445 298 N N -0.002 118.734 118.700 0.060 0.000 2.061 298 N HA -0.144 2.054 4.740 -4.236 0.000 0.193 298 N C 1.366 176.935 175.510 0.097 0.000 1.030 298 N CA 1.613 54.688 53.050 0.042 0.000 0.856 298 N CB -0.209 38.276 38.487 -0.003 0.000 1.023 298 N HN 0.513 nan 8.380 nan 0.000 0.424 299 M N 0.310 119.943 119.600 0.055 0.000 2.581 299 M HA -0.002 1.936 4.480 -4.236 0.000 0.224 299 M C 1.960 177.999 176.300 -0.434 0.000 1.171 299 M CA -0.296 55.001 55.300 -0.004 0.000 0.993 299 M CB -0.278 32.378 32.600 0.093 0.000 1.685 299 M HN 0.299 nan 8.290 nan 0.000 0.479 300 C N 2.277 121.314 119.300 -0.438 0.000 2.401 300 C HA -0.086 1.832 4.460 -4.236 0.000 0.276 300 C C -0.037 174.602 174.990 -0.585 0.000 1.233 300 C CA 1.253 59.818 59.018 -0.756 0.000 1.753 300 C CB -1.079 26.559 27.740 -0.170 0.000 2.029 300 C HN 0.383 nan 8.230 nan 0.000 0.478 301 P HA -0.057 nan 4.420 nan 0.000 0.221 301 P C 0.969 178.199 177.300 -0.116 0.000 1.150 301 P CA 1.577 64.574 63.100 -0.172 0.000 0.800 301 P CB -0.225 31.357 31.700 -0.195 0.000 0.787 302 E N -0.734 119.403 120.200 -0.105 0.000 2.347 302 E HA -0.128 1.680 4.350 -4.236 0.000 0.196 302 E C 1.126 177.765 176.600 0.066 0.000 1.008 302 E CA 0.911 57.331 56.400 0.032 0.000 0.852 302 E CB -0.727 29.039 29.700 0.110 0.000 0.783 302 E HN 0.566 nan 8.360 nan 0.000 0.505 303 Y N -4.048 116.298 120.300 0.078 0.000 2.557 303 Y HA 0.543 2.552 4.550 -4.236 0.000 0.247 303 Y C 1.294 177.214 175.900 0.033 0.000 1.164 303 Y CA -0.235 57.893 58.100 0.047 0.000 1.218 303 Y CB 0.065 38.542 38.460 0.029 0.000 1.210 303 Y HN -0.064 nan 8.280 nan 0.000 0.529 304 G N 0.416 109.259 108.800 0.071 0.000 2.176 304 G HA2 -0.173 1.245 3.960 -4.236 0.000 0.253 304 G HA3 -0.173 1.245 3.960 -4.236 0.000 0.253 304 G C 0.481 175.428 174.900 0.078 0.000 0.979 304 G CA -0.111 45.031 45.100 0.069 0.000 0.641 304 G HN 0.943 nan 8.290 nan 0.000 0.530 305 A N -0.328 122.565 122.820 0.121 0.000 2.332 305 A HA 0.734 2.512 4.320 -4.236 0.000 0.258 305 A C 1.533 179.140 177.584 0.038 0.000 1.087 305 A CA 1.300 53.411 52.037 0.124 0.000 0.802 305 A CB 0.432 19.577 19.000 0.241 0.000 1.042 305 A HN 0.591 nan 8.150 nan 0.000 0.489 306 T N 0.693 115.266 114.554 0.032 0.000 2.770 306 T HA 0.311 2.119 4.350 -4.236 0.000 0.263 306 T C 0.809 175.432 174.700 -0.127 0.000 1.039 306 T CA 1.653 63.701 62.100 -0.087 0.000 1.142 306 T CB -0.128 68.689 68.868 -0.084 0.000 0.868 306 T HN 1.182 nan 8.240 nan 0.000 0.435 307 A N 0.055 122.773 122.820 -0.170 0.000 2.515 307 A HA 0.797 2.575 4.320 -4.236 0.000 0.298 307 A C -1.168 176.422 177.584 0.010 0.000 1.059 307 A CA -0.639 51.315 52.037 -0.140 0.000 0.698 307 A CB 1.432 20.156 19.000 -0.461 0.000 1.289 307 A HN 0.330 nan 8.150 nan 0.000 0.404 308 A N 1.410 124.340 122.820 0.182 0.000 2.644 308 A HA 0.602 2.380 4.320 -4.236 0.000 0.343 308 A C -0.927 176.888 177.584 0.385 0.000 1.324 308 A CA -0.297 51.944 52.037 0.338 0.000 0.846 308 A CB -0.366 18.963 19.000 0.548 0.000 1.128 308 A HN 1.041 nan 8.150 nan 0.000 0.484 309 F N 1.934 121.950 119.950 0.111 0.000 2.420 309 F HA 0.624 2.608 4.527 -4.237 0.000 0.352 309 F C -0.908 174.952 175.800 0.099 0.000 1.108 309 F CA -0.709 57.370 58.000 0.132 0.000 1.162 309 F CB 0.543 39.589 39.000 0.077 0.000 1.118 309 F HN 0.437 nan 8.300 nan 0.000 0.510 310 F N 7.280 127.039 119.950 -0.318 0.000 2.366 310 F HA 0.402 2.386 4.527 -4.237 0.000 0.366 310 F C -2.121 173.382 175.800 -0.495 0.000 1.096 310 F CA -2.495 55.376 58.000 -0.216 0.000 1.060 310 F CB 0.647 39.509 39.000 -0.230 0.000 1.282 310 F HN 0.365 nan 8.300 nan 0.000 0.450 311 P HA -0.060 nan 4.420 nan 0.000 0.266 311 P C -0.358 176.858 177.300 -0.140 0.000 1.193 311 P CA -0.062 62.874 63.100 -0.273 0.000 0.770 311 P CB 0.490 31.950 31.700 -0.400 0.000 0.836 312 V N 3.584 123.419 119.914 -0.133 0.000 2.493 312 V HA 0.076 1.654 4.120 -4.236 0.000 0.292 312 V C 0.817 176.690 176.094 -0.368 0.000 1.016 312 V CA 0.845 63.083 62.300 -0.104 0.000 1.097 312 V CB -0.384 31.474 31.823 0.058 0.000 0.947 312 V HN 0.727 nan 8.190 nan 0.000 0.479 313 D N 3.314 123.523 120.400 -0.318 0.000 2.846 313 D HA 0.218 2.316 4.640 -4.236 0.000 0.273 313 D C 0.813 176.936 176.300 -0.295 0.000 1.145 313 D CA -0.618 53.014 54.000 -0.613 0.000 1.091 313 D CB 1.162 41.830 40.800 -0.219 0.000 1.364 313 D HN 0.199 nan 8.370 nan 0.000 0.613 314 E N -0.530 119.601 120.200 -0.115 0.000 2.152 314 E HA -0.024 1.784 4.350 -4.236 0.000 0.192 314 E C 1.860 178.508 176.600 0.080 0.000 0.983 314 E CA 0.887 57.369 56.400 0.137 0.000 0.818 314 E CB -0.374 29.433 29.700 0.179 0.000 0.758 314 E HN 0.317 nan 8.360 nan 0.000 0.467 315 V N 0.296 120.231 119.914 0.035 0.000 2.392 315 V HA -0.280 1.298 4.120 -4.236 0.000 0.249 315 V C 2.189 178.300 176.094 0.029 0.000 1.059 315 V CA 1.964 64.273 62.300 0.016 0.000 1.051 315 V CB -0.585 31.220 31.823 -0.029 0.000 0.658 315 V HN 0.265 nan 8.190 nan 0.000 0.455 316 S N 0.081 115.793 115.700 0.019 0.000 2.356 316 S HA -0.122 1.806 4.470 -4.236 0.000 0.223 316 S C 1.941 176.601 174.600 0.101 0.000 1.032 316 S CA 1.349 59.572 58.200 0.038 0.000 1.005 316 S CB -0.288 62.920 63.200 0.014 0.000 0.867 316 S HN 0.397 nan 8.310 nan 0.000 0.449 317 I N 2.685 123.322 120.570 0.112 0.000 2.163 317 I HA -0.164 1.464 4.170 -4.236 0.000 0.243 317 I C 2.937 179.083 176.117 0.048 0.000 1.085 317 I CA 2.013 63.371 61.300 0.095 0.000 1.347 317 I CB -2.309 35.772 38.000 0.135 0.000 1.044 317 I HN 0.457 nan 8.210 nan 0.000 0.408 318 T N -1.378 113.208 114.554 0.053 0.000 2.833 318 T HA -0.281 1.527 4.350 -4.236 0.000 0.269 318 T C 2.003 176.705 174.700 0.003 0.000 1.054 318 T CA 1.261 63.371 62.100 0.017 0.000 1.135 318 T CB -1.098 67.783 68.868 0.022 0.000 0.869 318 T HN 0.344 nan 8.240 nan 0.000 0.466 319 Y N 1.977 122.230 120.300 -0.079 0.000 2.224 319 Y HA 0.073 2.081 4.550 -4.237 0.000 0.289 319 Y C 2.079 177.884 175.900 -0.158 0.000 1.146 319 Y CA 0.986 59.017 58.100 -0.115 0.000 1.182 319 Y CB -0.385 38.012 38.460 -0.104 0.000 0.983 319 Y HN 0.170 nan 8.280 nan 0.000 0.524 320 L N -0.983 120.199 121.223 -0.068 0.000 2.056 320 L HA -0.167 1.631 4.340 -4.236 0.000 0.207 320 L C 2.616 179.340 176.870 -0.242 0.000 1.078 320 L CA 1.274 56.014 54.840 -0.165 0.000 0.749 320 L CB -0.882 41.138 42.059 -0.065 0.000 0.901 320 L HN 0.290 nan 8.230 nan 0.000 0.433 321 V N -0.635 119.172 119.914 -0.178 0.000 2.453 321 V HA -0.290 1.288 4.120 -4.236 0.000 0.247 321 V C 2.330 178.292 176.094 -0.220 0.000 1.048 321 V CA 2.012 64.212 62.300 -0.167 0.000 1.049 321 V CB -0.254 31.507 31.823 -0.104 0.000 0.672 321 V HN 0.612 nan 8.190 nan 0.000 0.457 322 Q N 0.673 120.307 119.800 -0.275 0.000 2.170 322 Q HA -0.182 1.616 4.340 -4.236 0.000 0.203 322 Q C 1.888 177.540 176.000 -0.579 0.000 0.976 322 Q CA 2.267 57.878 55.803 -0.320 0.000 0.858 322 Q CB -0.278 28.289 28.738 -0.286 0.000 0.907 322 Q HN 0.852 nan 8.270 nan 0.000 0.433 323 T N -3.699 110.310 114.554 -0.907 0.000 3.188 323 T HA 0.316 2.124 4.350 -4.236 0.000 0.250 323 T C 0.966 175.283 174.700 -0.638 0.000 1.077 323 T CA 0.271 61.512 62.100 -1.432 0.000 0.967 323 T CB 0.311 68.304 68.868 -1.458 0.000 1.006 323 T HN 0.488 nan 8.240 nan 0.000 0.552 324 G N 1.581 110.175 108.800 -0.344 0.000 2.225 324 G HA2 -0.266 1.152 3.960 -4.236 0.000 0.264 324 G HA3 -0.266 1.152 3.960 -4.236 0.000 0.264 324 G C 0.013 174.843 174.900 -0.116 0.000 1.060 324 G CA -0.435 44.582 45.100 -0.139 0.000 0.833 324 G HN 0.643 nan 8.290 nan 0.000 0.498 325 R N 0.250 120.648 120.500 -0.169 0.000 2.590 325 R HA 0.397 2.195 4.340 -4.236 0.000 0.274 325 R C 0.693 176.921 176.300 -0.119 0.000 1.061 325 R CA 0.026 56.040 56.100 -0.143 0.000 1.081 325 R CB 0.367 30.566 30.300 -0.169 0.000 0.984 325 R HN 0.510 nan 8.270 nan 0.000 0.448 326 D N 0.947 121.286 120.400 -0.103 0.000 2.525 326 D HA -0.112 1.986 4.640 -4.236 0.000 0.235 326 D C 0.794 177.025 176.300 -0.115 0.000 1.137 326 D CA 0.218 54.167 54.000 -0.086 0.000 0.868 326 D CB 0.847 41.608 40.800 -0.066 0.000 1.180 326 D HN 0.556 nan 8.370 nan 0.000 0.465 327 E N 2.479 122.625 120.200 -0.089 0.000 2.268 327 E HA -0.210 1.598 4.350 -4.236 0.000 0.195 327 E C 1.163 177.697 176.600 -0.110 0.000 0.995 327 E CA 1.319 57.661 56.400 -0.097 0.000 0.836 327 E CB 0.091 29.751 29.700 -0.066 0.000 0.763 327 E HN 0.546 nan 8.360 nan 0.000 0.491 328 E N 0.632 120.781 120.200 -0.086 0.000 2.031 328 E HA -0.196 1.612 4.350 -4.236 0.000 0.193 328 E C 2.026 178.513 176.600 -0.189 0.000 0.994 328 E CA 1.281 57.648 56.400 -0.056 0.000 0.800 328 E CB -0.290 29.419 29.700 0.015 0.000 0.752 328 E HN 0.173 nan 8.360 nan 0.000 0.447 329 K N 0.890 121.106 120.400 -0.306 0.000 2.057 329 K HA -0.106 1.672 4.320 -4.236 0.000 0.207 329 K C 2.196 178.290 176.600 -0.843 0.000 1.049 329 K CA 0.507 56.332 56.287 -0.770 0.000 0.931 329 K CB -0.468 31.786 32.500 -0.409 0.000 0.714 329 K HN -0.030 nan 8.250 nan 0.000 0.440 330 L N 0.782 121.751 121.223 -0.423 0.000 2.127 330 L HA -0.210 1.588 4.340 -4.236 0.000 0.211 330 L C 1.865 178.570 176.870 -0.275 0.000 1.089 330 L CA 1.612 56.273 54.840 -0.299 0.000 0.757 330 L CB -0.163 41.785 42.059 -0.185 0.000 0.899 330 L HN 0.036 nan 8.230 nan 0.000 0.434 331 K N -0.561 119.686 120.400 -0.255 0.000 1.985 331 K HA -0.203 1.576 4.320 -4.236 0.000 0.210 331 K C 2.144 178.646 176.600 -0.162 0.000 1.047 331 K CA 2.188 58.377 56.287 -0.164 0.000 0.932 331 K CB -0.917 31.533 32.500 -0.084 0.000 0.716 331 K HN 0.553 nan 8.250 nan 0.000 0.439 332 Y N -0.445 119.762 120.300 -0.155 0.000 2.439 332 Y HA 0.118 2.126 4.550 -4.237 0.000 0.292 332 Y C 1.928 177.660 175.900 -0.280 0.000 1.130 332 Y CA 0.156 58.078 58.100 -0.298 0.000 1.254 332 Y CB -0.919 37.265 38.460 -0.461 0.000 1.000 332 Y HN -0.090 nan 8.280 nan 0.000 0.554 333 I N 1.058 121.483 120.570 -0.241 0.000 2.113 333 I HA -0.283 1.345 4.170 -4.236 0.000 0.238 333 I C 2.686 178.812 176.117 0.015 0.000 1.070 333 I CA 2.152 63.420 61.300 -0.053 0.000 1.332 333 I CB -0.356 37.563 38.000 -0.136 0.000 1.044 333 I HN 0.211 nan 8.210 nan 0.000 0.402 334 K N 1.359 121.711 120.400 -0.080 0.000 2.025 334 K HA -0.248 1.530 4.320 -4.236 0.000 0.207 334 K C 2.242 178.700 176.600 -0.238 0.000 1.049 334 K CA 1.668 57.853 56.287 -0.170 0.000 0.933 334 K CB -0.091 32.263 32.500 -0.244 0.000 0.714 334 K HN 0.029 nan 8.250 nan 0.000 0.438 335 K N -0.446 119.840 120.400 -0.191 0.000 2.103 335 K HA -0.233 1.545 4.320 -4.236 0.000 0.207 335 K C 2.171 178.636 176.600 -0.225 0.000 1.048 335 K CA 1.649 57.818 56.287 -0.198 0.000 0.930 335 K CB -0.329 32.081 32.500 -0.150 0.000 0.716 335 K HN 0.280 nan 8.250 nan 0.000 0.444 336 Y N 1.079 121.187 120.300 -0.320 0.000 2.145 336 Y HA -0.167 1.843 4.550 -4.234 0.000 0.286 336 Y C 1.568 177.360 175.900 -0.181 0.000 1.145 336 Y CA 1.578 59.447 58.100 -0.385 0.000 1.148 336 Y CB -0.141 38.114 38.460 -0.342 0.000 0.981 336 Y HN -0.005 nan 8.280 nan 0.000 0.507 337 L N -0.010 121.118 121.223 -0.158 0.000 2.141 337 L HA -0.212 1.586 4.340 -4.236 0.000 0.209 337 L C 2.521 179.364 176.870 -0.045 0.000 1.094 337 L CA 1.389 56.186 54.840 -0.072 0.000 0.763 337 L CB -0.595 41.621 42.059 0.262 0.000 0.908 337 L HN 0.273 nan 8.230 nan 0.000 0.437 338 Q N -0.219 119.501 119.800 -0.134 0.000 2.079 338 Q HA -0.170 1.629 4.340 -4.236 0.000 0.200 338 Q C 2.457 178.410 176.000 -0.078 0.000 0.974 338 Q CA 1.601 57.340 55.803 -0.106 0.000 0.840 338 Q CB -0.236 28.353 28.738 -0.249 0.000 0.898 338 Q HN 0.570 nan 8.270 nan 0.000 0.430 339 A N 0.042 122.754 122.820 -0.179 0.000 1.968 339 A HA -0.074 1.704 4.320 -4.236 0.000 0.217 339 A C 2.094 179.681 177.584 0.006 0.000 1.169 339 A CA 0.962 52.939 52.037 -0.101 0.000 0.638 339 A CB -0.343 18.518 19.000 -0.230 0.000 0.812 339 A HN 0.260 nan 8.150 nan 0.000 0.446 340 V N -0.925 118.900 119.914 -0.149 0.000 3.406 340 V HA 0.323 1.901 4.120 -4.236 0.000 0.263 340 V C 1.418 177.602 176.094 0.149 0.000 1.172 340 V CA 1.437 63.738 62.300 0.001 0.000 1.140 340 V CB -0.241 31.449 31.823 -0.222 0.000 0.784 340 V HN 1.246 nan 8.190 nan 0.000 0.467 341 G N 0.523 109.397 108.800 0.124 0.000 2.142 341 G HA2 -0.257 1.161 3.960 -4.236 0.000 0.225 341 G HA3 -0.257 1.161 3.960 -4.236 0.000 0.225 341 G C 0.220 175.247 174.900 0.212 0.000 1.015 341 G CA 0.393 45.605 45.100 0.187 0.000 0.716 341 G HN 0.477 nan 8.290 nan 0.000 0.508 342 M N -0.442 119.322 119.600 0.273 0.000 2.685 342 M HA 0.436 2.374 4.480 -4.236 0.000 0.355 342 M C -0.034 176.514 176.300 0.413 0.000 1.197 342 M CA -0.218 55.353 55.300 0.453 0.000 0.947 342 M CB 0.590 33.414 32.600 0.373 0.000 1.346 342 M HN 0.218 nan 8.290 nan 0.000 0.516 343 F N 1.219 121.271 119.950 0.171 0.000 2.388 343 F HA 0.613 2.598 4.527 -4.237 0.000 0.358 343 F C 0.097 175.855 175.800 -0.070 0.000 1.122 343 F CA -0.891 57.128 58.000 0.032 0.000 1.056 343 F CB 0.614 39.620 39.000 0.010 0.000 1.155 343 F HN -0.031 nan 8.300 nan 0.000 0.461 344 R N 3.515 123.564 120.500 -0.752 0.000 2.500 344 R HA 0.323 2.121 4.340 -4.236 0.000 0.277 344 R C -1.478 174.383 176.300 -0.731 0.000 1.026 344 R CA -0.361 55.226 56.100 -0.855 0.000 1.058 344 R CB 0.790 30.315 30.300 -1.292 0.000 1.078 344 R HN 0.626 nan 8.270 nan 0.000 0.509 345 D N 3.471 123.562 120.400 -0.514 0.000 2.469 345 D HA 0.143 2.241 4.640 -4.236 0.000 0.251 345 D C -0.142 176.010 176.300 -0.246 0.000 1.173 345 D CA -0.342 53.496 54.000 -0.271 0.000 0.882 345 D CB 0.493 41.251 40.800 -0.070 0.000 1.129 345 D HN 0.435 nan 8.370 nan 0.000 0.549 346 F N 1.554 121.471 119.950 -0.055 0.000 2.661 346 F HA 0.075 2.060 4.527 -4.237 0.000 0.298 346 F C 1.815 177.638 175.800 0.038 0.000 1.137 346 F CA 0.298 58.302 58.000 0.007 0.000 1.454 346 F CB 0.089 39.092 39.000 0.005 0.000 1.103 346 F HN 0.274 nan 8.300 nan 0.000 0.577 347 N N 0.090 118.889 118.700 0.165 0.000 2.346 347 N HA -0.017 2.181 4.740 -4.236 0.000 0.225 347 N C -0.562 175.000 175.510 0.087 0.000 1.144 347 N CA 0.369 53.488 53.050 0.115 0.000 0.837 347 N CB 0.057 38.596 38.487 0.086 0.000 1.069 347 N HN 0.140 nan 8.380 nan 0.000 0.487 348 D N 0.198 120.649 120.400 0.084 0.000 2.421 348 D HA 0.275 2.373 4.640 -4.236 0.000 0.254 348 D C -2.033 174.322 176.300 0.092 0.000 1.238 348 D CA -1.900 52.142 54.000 0.070 0.000 0.919 348 D CB 2.056 42.883 40.800 0.044 0.000 1.152 348 D HN -0.093 nan 8.370 nan 0.000 0.552 349 P HA -0.031 nan 4.420 nan 0.000 0.225 349 P C 1.155 178.515 177.300 0.101 0.000 1.156 349 P CA 0.522 63.702 63.100 0.134 0.000 0.787 349 P CB 0.233 32.006 31.700 0.122 0.000 0.802 350 S N -1.151 114.591 115.700 0.070 0.000 2.515 350 S HA -0.109 1.819 4.470 -4.236 0.000 0.231 350 S C 1.952 176.575 174.600 0.038 0.000 0.987 350 S CA 0.477 58.706 58.200 0.049 0.000 0.936 350 S CB -0.809 62.416 63.200 0.042 0.000 0.766 350 S HN 0.166 nan 8.310 nan 0.000 0.528 351 Q N 0.765 120.595 119.800 0.051 0.000 2.408 351 Q HA 0.063 1.861 4.340 -4.236 0.000 0.205 351 Q C -0.677 175.362 176.000 0.064 0.000 0.919 351 Q CA -0.039 55.799 55.803 0.058 0.000 0.932 351 Q CB 0.124 28.895 28.738 0.056 0.000 1.058 351 Q HN 0.479 nan 8.270 nan 0.000 0.517 352 D N 3.132 123.559 120.400 0.045 0.000 2.487 352 D HA 0.045 2.144 4.640 -4.236 0.000 0.243 352 D C -2.203 173.963 176.300 -0.223 0.000 1.154 352 D CA -0.831 53.148 54.000 -0.034 0.000 0.876 352 D CB 0.715 41.535 40.800 0.033 0.000 1.161 352 D HN 0.167 nan 8.370 nan 0.000 0.478 353 P HA 0.038 nan 4.420 nan 0.000 0.271 353 P C -0.547 176.278 177.300 -0.791 0.000 1.233 353 P CA -0.202 62.472 63.100 -0.710 0.000 0.789 353 P CB 0.502 31.593 31.700 -1.014 0.000 0.951 354 D N 1.159 121.277 120.400 -0.471 0.000 2.435 354 D HA 0.196 2.294 4.640 -4.236 0.000 0.230 354 D C -0.116 176.116 176.300 -0.114 0.000 1.215 354 D CA 0.171 54.043 54.000 -0.214 0.000 0.947 354 D CB -0.807 39.975 40.800 -0.030 0.000 1.048 354 D HN 0.112 nan 8.370 nan 0.000 0.512 355 F N 0.240 120.227 119.950 0.062 0.000 2.406 355 F HA 0.106 2.091 4.527 -4.237 0.000 0.327 355 F C 2.288 178.215 175.800 0.212 0.000 1.153 355 F CA -0.520 57.569 58.000 0.149 0.000 1.218 355 F CB 0.369 39.375 39.000 0.010 0.000 1.215 355 F HN 0.096 nan 8.300 nan 0.000 0.570 356 T N -0.087 114.761 114.554 0.489 0.000 2.607 356 T HA -0.186 1.622 4.350 -4.236 0.000 0.267 356 T C 0.387 175.200 174.700 0.189 0.000 1.049 356 T CA 1.829 64.071 62.100 0.236 0.000 1.162 356 T CB -0.323 68.656 68.868 0.184 0.000 0.863 356 T HN 0.729 nan 8.240 nan 0.000 0.424 357 Q N -1.141 118.774 119.800 0.191 0.000 2.707 357 Q HA 0.651 2.449 4.340 -4.236 0.000 0.307 357 Q C -2.186 173.880 176.000 0.111 0.000 0.934 357 Q CA -1.059 54.826 55.803 0.135 0.000 0.753 357 Q CB 1.906 30.694 28.738 0.083 0.000 1.478 357 Q HN 0.053 nan 8.270 nan 0.000 0.458 358 V N 1.239 121.203 119.914 0.084 0.000 2.525 358 V HA 0.484 2.063 4.120 -4.236 0.000 0.299 358 V C -0.863 175.224 176.094 -0.011 0.000 1.034 358 V CA -0.658 61.680 62.300 0.063 0.000 0.863 358 V CB 1.716 33.645 31.823 0.178 0.000 0.999 358 V HN 0.635 nan 8.190 nan 0.000 0.423 359 V N 4.536 124.389 119.914 -0.100 0.000 2.547 359 V HA 0.507 2.085 4.120 -4.236 0.000 0.299 359 V C 0.011 175.863 176.094 -0.404 0.000 1.040 359 V CA -0.577 61.615 62.300 -0.180 0.000 0.913 359 V CB 2.007 33.731 31.823 -0.166 0.000 0.992 359 V HN 0.883 nan 8.190 nan 0.000 0.449 360 E N 2.770 122.789 120.200 -0.302 0.000 2.221 360 E HA 0.671 2.479 4.350 -4.236 0.000 0.268 360 E C -1.446 174.942 176.600 -0.352 0.000 0.933 360 E CA -0.874 55.307 56.400 -0.364 0.000 0.809 360 E CB 2.632 32.216 29.700 -0.194 0.000 1.190 360 E HN 0.403 nan 8.360 nan 0.000 0.406 361 L N 2.069 123.091 121.223 -0.335 0.000 2.439 361 L HA 0.342 2.140 4.340 -4.236 0.000 0.270 361 L C -1.416 175.403 176.870 -0.084 0.000 0.972 361 L CA -0.570 54.189 54.840 -0.136 0.000 0.836 361 L CB 1.808 43.907 42.059 0.067 0.000 1.255 361 L HN 0.319 nan 8.230 nan 0.000 0.404 362 D N 4.080 124.438 120.400 -0.070 0.000 2.316 362 D HA 0.222 2.320 4.640 -4.236 0.000 0.245 362 D C 1.008 177.297 176.300 -0.018 0.000 1.171 362 D CA 0.089 54.061 54.000 -0.047 0.000 0.856 362 D CB 1.160 41.931 40.800 -0.048 0.000 1.090 362 D HN 0.694 nan 8.370 nan 0.000 0.476 363 L N 3.702 124.922 121.223 -0.006 0.000 2.376 363 L HA -0.118 1.680 4.340 -4.236 0.000 0.219 363 L C 2.266 179.145 176.870 0.015 0.000 1.133 363 L CA 0.794 55.642 54.840 0.013 0.000 0.816 363 L CB -0.149 41.917 42.059 0.011 0.000 0.933 363 L HN 0.455 nan 8.230 nan 0.000 0.449 364 K N -0.409 119.996 120.400 0.009 0.000 2.432 364 K HA -0.069 1.709 4.320 -4.236 0.000 0.196 364 K C 1.706 178.313 176.600 0.011 0.000 1.038 364 K CA 1.376 57.676 56.287 0.022 0.000 0.986 364 K CB -0.387 32.124 32.500 0.018 0.000 0.782 364 K HN 0.233 nan 8.250 nan 0.000 0.485 365 T N -1.442 113.110 114.554 -0.005 0.000 3.088 365 T HA 0.097 1.905 4.350 -4.236 0.000 0.259 365 T C 0.677 175.369 174.700 -0.014 0.000 1.122 365 T CA -0.267 61.823 62.100 -0.017 0.000 1.095 365 T CB -0.196 68.652 68.868 -0.032 0.000 0.930 365 T HN -0.022 nan 8.240 nan 0.000 0.508 366 V N 3.777 123.692 119.914 0.002 0.000 2.479 366 V HA 0.390 1.968 4.120 -4.236 0.000 0.281 366 V C 0.578 176.668 176.094 -0.007 0.000 1.031 366 V CA -0.682 61.623 62.300 0.009 0.000 1.038 366 V CB 0.443 32.283 31.823 0.028 0.000 0.981 366 V HN 0.516 nan 8.190 nan 0.000 0.478 367 V N 4.211 124.114 119.914 -0.019 0.000 2.881 367 V HA 0.707 2.285 4.120 -4.236 0.000 0.316 367 V C -2.635 173.438 176.094 -0.035 0.000 1.070 367 V CA -3.025 59.244 62.300 -0.051 0.000 0.976 367 V CB 1.566 33.353 31.823 -0.060 0.000 1.038 367 V HN 0.658 nan 8.190 nan 0.000 0.446 368 P HA 0.316 nan 4.420 nan 0.000 0.264 368 P C -0.329 176.970 177.300 -0.002 0.000 1.193 368 P CA 0.191 63.259 63.100 -0.053 0.000 0.763 368 P CB -0.022 31.579 31.700 -0.165 0.000 0.810 369 C N 1.904 121.233 119.300 0.049 0.000 3.311 369 C HA 0.763 2.681 4.460 -4.236 0.000 0.325 369 C C -0.599 174.466 174.990 0.124 0.000 1.352 369 C CA -0.667 58.400 59.018 0.081 0.000 1.308 369 C CB 0.930 28.710 27.740 0.067 0.000 1.619 369 C HN 0.548 nan 8.230 nan 0.000 0.469 370 C N 0.519 119.906 119.300 0.145 0.000 2.913 370 C HA 0.908 2.827 4.460 -4.236 0.000 0.322 370 C C 0.133 175.238 174.990 0.192 0.000 1.292 370 C CA -0.145 58.986 59.018 0.187 0.000 1.649 370 C CB 1.963 29.830 27.740 0.211 0.000 2.139 370 C HN 1.014 nan 8.230 nan 0.000 0.475 371 S N -0.025 115.796 115.700 0.203 0.000 2.561 371 S HA 0.871 2.799 4.470 -4.236 0.000 0.303 371 S C -0.026 174.623 174.600 0.080 0.000 1.110 371 S CA 0.016 58.295 58.200 0.132 0.000 1.034 371 S CB 1.408 64.637 63.200 0.048 0.000 1.010 371 S HN 1.294 nan 8.310 nan 0.000 0.482 372 G N 3.109 111.922 108.800 0.021 0.000 2.325 372 G HA2 0.374 1.792 3.960 -4.236 0.000 0.295 372 G HA3 0.374 1.792 3.960 -4.236 0.000 0.295 372 G C -3.014 171.808 174.900 -0.131 0.000 1.274 372 G CA -0.652 44.255 45.100 -0.322 0.000 0.857 372 G HN 0.333 nan 8.290 nan 0.000 0.499 373 P HA 0.212 nan 4.420 nan 0.000 0.245 373 P C 0.584 177.726 177.300 -0.262 0.000 1.206 373 P CA 0.764 63.557 63.100 -0.512 0.000 0.781 373 P CB 0.363 32.089 31.700 0.044 0.000 0.994 374 K N -1.269 119.037 120.400 -0.157 0.000 2.517 374 K HA 0.264 2.042 4.320 -4.236 0.000 0.210 374 K C 0.563 177.023 176.600 -0.233 0.000 1.166 374 K CA -0.103 56.139 56.287 -0.074 0.000 1.030 374 K CB 1.364 33.925 32.500 0.103 0.000 0.974 374 K HN -0.021 nan 8.250 nan 0.000 0.585 375 R N 0.105 120.395 120.500 -0.349 0.000 2.668 375 R HA 0.190 1.988 4.340 -4.236 0.000 0.272 375 R C -2.589 173.466 176.300 -0.409 0.000 1.019 375 R CA -1.806 53.942 56.100 -0.585 0.000 0.894 375 R CB 1.766 31.805 30.300 -0.435 0.000 1.228 375 R HN -0.263 nan 8.270 nan 0.000 0.460 376 P HA -0.146 nan 4.420 nan 0.000 0.226 376 P C 0.709 177.975 177.300 -0.057 0.000 1.153 376 P CA 0.888 63.888 63.100 -0.167 0.000 0.777 376 P CB 0.395 32.044 31.700 -0.085 0.000 0.794 377 Q N -1.356 118.405 119.800 -0.066 0.000 2.356 377 Q HA 0.031 1.829 4.340 -4.236 0.000 0.205 377 Q C -0.279 175.717 176.000 -0.006 0.000 0.901 377 Q CA 0.684 56.486 55.803 -0.002 0.000 0.938 377 Q CB -0.551 28.198 28.738 0.017 0.000 1.081 377 Q HN 0.171 nan 8.270 nan 0.000 0.517 378 D N 2.975 123.351 120.400 -0.039 0.000 2.608 378 D HA 0.080 2.179 4.640 -4.236 0.000 0.224 378 D C -0.431 175.895 176.300 0.043 0.000 1.123 378 D CA 0.225 54.223 54.000 -0.004 0.000 1.030 378 D CB 0.111 40.896 40.800 -0.024 0.000 1.093 378 D HN 0.166 nan 8.370 nan 0.000 0.497 379 K N 1.247 121.679 120.400 0.054 0.000 2.412 379 K HA 0.197 1.975 4.320 -4.236 0.000 0.281 379 K C -0.672 175.979 176.600 0.085 0.000 1.027 379 K CA -0.181 56.151 56.287 0.075 0.000 0.989 379 K CB 1.006 33.546 32.500 0.067 0.000 0.935 379 K HN 0.101 nan 8.250 nan 0.000 0.475 380 V N 3.457 123.436 119.914 0.109 0.000 2.623 380 V HA 0.558 2.136 4.120 -4.236 0.000 0.304 380 V C -0.662 175.486 176.094 0.089 0.000 1.054 380 V CA -0.559 61.803 62.300 0.104 0.000 0.882 380 V CB 1.453 33.362 31.823 0.142 0.000 1.002 380 V HN 0.949 nan 8.190 nan 0.000 0.424 381 A N 5.104 127.962 122.820 0.062 0.000 2.483 381 A HA 0.445 2.223 4.320 -4.236 0.000 0.238 381 A C 1.241 178.862 177.584 0.061 0.000 1.070 381 A CA 0.548 52.613 52.037 0.047 0.000 0.770 381 A CB 0.817 19.829 19.000 0.020 0.000 1.008 381 A HN 1.450 nan 8.150 nan 0.000 0.497 382 V N 2.596 122.549 119.914 0.065 0.000 2.332 382 V HA -0.272 1.306 4.120 -4.236 0.000 0.248 382 V C 2.894 179.045 176.094 0.094 0.000 1.055 382 V CA 2.793 65.161 62.300 0.114 0.000 1.038 382 V CB -1.096 30.784 31.823 0.095 0.000 0.651 382 V HN 1.189 nan 8.190 nan 0.000 0.450 383 S N 0.239 115.964 115.700 0.042 0.000 2.402 383 S HA -0.255 1.673 4.470 -4.236 0.000 0.233 383 S C 1.338 175.954 174.600 0.025 0.000 1.030 383 S CA 1.945 60.160 58.200 0.025 0.000 1.003 383 S CB -0.429 62.768 63.200 -0.006 0.000 0.813 383 S HN 0.633 nan 8.310 nan 0.000 0.477 384 D N -0.025 120.395 120.400 0.033 0.000 2.363 384 D HA 0.303 2.401 4.640 -4.236 0.000 0.214 384 D C 1.475 177.802 176.300 0.045 0.000 1.093 384 D CA 0.022 54.044 54.000 0.036 0.000 0.837 384 D CB 0.032 40.854 40.800 0.038 0.000 0.948 384 D HN 0.337 nan 8.370 nan 0.000 0.507 385 M N 0.101 119.724 119.600 0.037 0.000 2.175 385 M HA -0.100 1.838 4.480 -4.236 0.000 0.264 385 M C 2.018 178.327 176.300 0.015 0.000 1.063 385 M CA 1.053 56.357 55.300 0.007 0.000 1.119 385 M CB -0.201 32.380 32.600 -0.031 0.000 1.377 385 M HN -0.011 nan 8.290 nan 0.000 0.415 386 K N 0.650 121.055 120.400 0.008 0.000 2.025 386 K HA -0.153 1.625 4.320 -4.236 0.000 0.207 386 K C 1.888 178.545 176.600 0.094 0.000 1.049 386 K CA 1.245 57.552 56.287 0.033 0.000 0.933 386 K CB 0.102 32.598 32.500 -0.007 0.000 0.714 386 K HN 0.253 nan 8.250 nan 0.000 0.438 387 K N 0.555 120.996 120.400 0.068 0.000 2.025 387 K HA -0.177 1.601 4.320 -4.236 0.000 0.207 387 K C 1.894 178.545 176.600 0.085 0.000 1.049 387 K CA 1.890 58.219 56.287 0.069 0.000 0.933 387 K CB -0.211 32.317 32.500 0.048 0.000 0.714 387 K HN 0.224 nan 8.250 nan 0.000 0.438 388 D N 0.145 120.604 120.400 0.099 0.000 2.117 388 D HA -0.190 1.908 4.640 -4.236 0.000 0.197 388 D C 1.700 178.098 176.300 0.162 0.000 0.987 388 D CA 0.961 55.031 54.000 0.117 0.000 0.829 388 D CB -0.018 40.861 40.800 0.132 0.000 0.961 388 D HN 0.123 nan 8.370 nan 0.000 0.460 389 F N 1.183 121.174 119.950 0.067 0.000 2.186 389 F HA -0.007 1.978 4.527 -4.237 0.000 0.299 389 F C 2.085 177.928 175.800 0.072 0.000 1.090 389 F CA 1.263 59.330 58.000 0.112 0.000 1.307 389 F CB -0.080 38.950 39.000 0.050 0.000 1.019 389 F HN -0.047 nan 8.300 nan 0.000 0.489 390 E N -0.458 119.791 120.200 0.082 0.000 2.150 390 E HA -0.161 1.647 4.350 -4.236 0.000 0.193 390 E C 2.291 178.842 176.600 -0.080 0.000 0.985 390 E CA 1.324 57.701 56.400 -0.038 0.000 0.814 390 E CB -0.171 29.573 29.700 0.074 0.000 0.752 390 E HN 0.322 nan 8.360 nan 0.000 0.466 391 S N 0.251 115.940 115.700 -0.020 0.000 2.368 391 S HA -0.167 1.761 4.470 -4.236 0.000 0.225 391 S C 2.097 176.660 174.600 -0.062 0.000 1.030 391 S CA 0.752 58.944 58.200 -0.014 0.000 0.999 391 S CB -0.274 62.934 63.200 0.012 0.000 0.844 391 S HN 0.409 nan 8.310 nan 0.000 0.459 392 C N 1.408 120.645 119.300 -0.104 0.000 2.422 392 C HA 0.031 1.949 4.460 -4.236 0.000 0.279 392 C C 2.482 177.401 174.990 -0.118 0.000 1.305 392 C CA 0.366 59.292 59.018 -0.153 0.000 1.757 392 C CB -1.518 26.153 27.740 -0.114 0.000 1.962 392 C HN 0.537 nan 8.230 nan 0.000 0.499 393 L N 0.387 121.459 121.223 -0.251 0.000 2.012 393 L HA -0.107 1.691 4.340 -4.236 0.000 0.210 393 L C 2.551 179.344 176.870 -0.128 0.000 1.073 393 L CA 1.966 56.597 54.840 -0.348 0.000 0.748 393 L CB -0.782 40.741 42.059 -0.894 0.000 0.891 393 L HN 0.513 nan 8.230 nan 0.000 0.431 394 G N -1.288 107.512 108.800 0.001 0.000 3.088 394 G HA2 0.338 1.756 3.960 -4.236 0.000 0.217 394 G HA3 0.338 1.756 3.960 -4.236 0.000 0.217 394 G C 0.471 175.406 174.900 0.059 0.000 1.159 394 G CA 0.370 45.575 45.100 0.174 0.000 0.760 394 G HN 0.340 nan 8.290 nan 0.000 0.550 395 A N 0.445 123.262 122.820 -0.005 0.000 2.322 395 A HA 0.634 2.413 4.320 -4.236 0.000 0.269 395 A C -0.011 177.543 177.584 -0.049 0.000 1.094 395 A CA -0.552 51.465 52.037 -0.034 0.000 0.807 395 A CB 0.595 19.555 19.000 -0.067 0.000 1.047 395 A HN 0.097 nan 8.150 nan 0.000 0.487 396 K N 1.608 121.981 120.400 -0.046 0.000 2.491 396 K HA 0.021 1.799 4.320 -4.236 0.000 0.279 396 K C 0.534 177.078 176.600 -0.093 0.000 1.026 396 K CA 0.530 56.786 56.287 -0.052 0.000 1.070 396 K CB -0.057 32.416 32.500 -0.046 0.000 0.887 396 K HN 0.765 nan 8.250 nan 0.000 0.481 397 Q N 0.815 120.564 119.800 -0.085 0.000 2.326 397 Q HA 0.249 2.047 4.340 -4.236 0.000 0.314 397 Q C 0.476 176.368 176.000 -0.180 0.000 1.091 397 Q CA 1.426 57.156 55.803 -0.122 0.000 0.974 397 Q CB 0.307 29.005 28.738 -0.067 0.000 1.220 397 Q HN 0.774 nan 8.270 nan 0.000 0.398 398 G N 1.220 109.867 108.800 -0.255 0.000 2.339 398 G HA2 -0.121 1.297 3.960 -4.236 0.000 0.275 398 G HA3 -0.121 1.297 3.960 -4.236 0.000 0.275 398 G C -0.423 174.262 174.900 -0.359 0.000 1.323 398 G CA -0.415 44.455 45.100 -0.384 0.000 0.927 398 G HN 0.602 nan 8.290 nan 0.000 0.486 399 F N 0.357 120.249 119.950 -0.097 0.000 2.269 399 F HA 0.132 2.117 4.527 -4.236 0.000 0.301 399 F C 2.292 177.983 175.800 -0.182 0.000 1.082 399 F CA 1.213 59.149 58.000 -0.107 0.000 1.360 399 F CB 0.226 39.198 39.000 -0.046 0.000 1.041 399 F HN 0.000 nan 8.300 nan 0.000 0.512 400 K N 0.292 120.655 120.400 -0.062 0.000 2.792 400 K HA 0.361 2.139 4.320 -4.236 0.000 0.207 400 K C -0.088 176.344 176.600 -0.280 0.000 1.103 400 K CA 0.126 56.328 56.287 -0.141 0.000 1.048 400 K CB 1.026 33.508 32.500 -0.030 0.000 0.777 400 K HN 0.151 nan 8.250 nan 0.000 0.468 401 G N -0.211 108.315 108.800 -0.457 0.000 2.746 401 G HA2 0.496 1.914 3.960 -4.236 0.000 0.297 401 G HA3 0.496 1.914 3.960 -4.236 0.000 0.297 401 G C -0.571 173.959 174.900 -0.618 0.000 1.426 401 G CA -0.550 44.279 45.100 -0.452 0.000 0.989 401 G HN 0.044 nan 8.290 nan 0.000 0.520 402 F N 0.543 120.429 119.950 -0.106 0.000 2.661 402 F HA 0.166 2.151 4.527 -4.237 0.000 0.306 402 F C 1.653 177.414 175.800 -0.065 0.000 1.094 402 F CA -0.409 57.538 58.000 -0.088 0.000 1.254 402 F CB 0.585 39.507 39.000 -0.130 0.000 1.040 402 F HN 0.588 nan 8.300 nan 0.000 0.562 403 Q N 1.170 121.007 119.800 0.060 0.000 2.296 403 Q HA -0.178 1.620 4.340 -4.236 0.000 0.341 403 Q C -0.718 175.342 176.000 0.101 0.000 1.174 403 Q CA -0.062 55.781 55.803 0.067 0.000 1.126 403 Q CB -1.313 27.447 28.738 0.036 0.000 1.277 403 Q HN 0.235 nan 8.270 nan 0.000 0.293 404 V N 1.626 121.605 119.914 0.109 0.000 2.607 404 V HA 0.497 2.075 4.120 -4.236 0.000 0.289 404 V C 0.911 177.141 176.094 0.226 0.000 1.053 404 V CA -0.075 62.308 62.300 0.139 0.000 0.996 404 V CB 1.363 33.185 31.823 -0.002 0.000 0.995 404 V HN 0.764 nan 8.190 nan 0.000 0.476 405 A N 6.453 129.403 122.820 0.217 0.000 2.498 405 A HA 0.356 2.135 4.320 -4.236 0.000 0.239 405 A C -1.233 176.333 177.584 -0.031 0.000 1.068 405 A CA -0.794 51.305 52.037 0.103 0.000 0.766 405 A CB -0.164 18.894 19.000 0.098 0.000 1.003 405 A HN 0.743 nan 8.150 nan 0.000 0.497 406 P HA -0.230 nan 4.420 nan 0.000 0.216 406 P C 1.326 178.372 177.300 -0.424 0.000 1.150 406 P CA 1.711 64.424 63.100 -0.645 0.000 0.843 406 P CB 0.098 31.577 31.700 -0.369 0.000 0.787 407 E N -1.166 118.862 120.200 -0.287 0.000 2.268 407 E HA -0.211 1.597 4.350 -4.236 0.000 0.195 407 E C 0.888 177.382 176.600 -0.177 0.000 0.995 407 E CA 1.299 57.544 56.400 -0.258 0.000 0.836 407 E CB -1.060 28.442 29.700 -0.330 0.000 0.763 407 E HN 0.436 nan 8.360 nan 0.000 0.491 408 H N -0.062 119.061 119.070 0.088 0.000 2.529 408 H HA 0.199 2.213 4.556 -4.236 0.000 0.277 408 H C 1.026 176.564 175.328 0.349 0.000 1.004 408 H CA 0.064 56.230 56.048 0.198 0.000 1.167 408 H CB -0.238 29.641 29.762 0.195 0.000 1.445 408 H HN 0.468 nan 8.280 nan 0.000 0.554 409 H N 0.336 119.527 119.070 0.201 0.000 2.521 409 H HA 0.004 2.018 4.556 -4.236 0.000 0.286 409 H C 0.473 175.982 175.328 0.301 0.000 1.034 409 H CA 0.285 56.435 56.048 0.170 0.000 1.278 409 H CB 0.604 30.411 29.762 0.074 0.000 1.386 409 H HN 0.199 nan 8.280 nan 0.000 0.567 410 N N 1.314 120.253 118.700 0.398 0.000 2.401 410 N HA 0.020 2.218 4.740 -4.236 0.000 0.264 410 N C -0.909 174.819 175.510 0.364 0.000 1.238 410 N CA -0.029 53.216 53.050 0.325 0.000 0.889 410 N CB 0.507 39.126 38.487 0.220 0.000 1.196 410 N HN 0.216 nan 8.380 nan 0.000 0.511 411 D N 1.432 122.032 120.400 0.334 0.000 2.472 411 D HA 0.035 2.133 4.640 -4.236 0.000 0.237 411 D C 0.496 176.871 176.300 0.126 0.000 1.141 411 D CA 1.057 55.148 54.000 0.151 0.000 0.875 411 D CB 0.494 41.301 40.800 0.012 0.000 1.192 411 D HN 0.493 nan 8.370 nan 0.000 0.450 412 H N -1.920 117.129 119.070 -0.036 0.000 2.981 412 H HA 0.702 2.716 4.556 -4.237 0.000 0.327 412 H C -1.264 174.061 175.328 -0.005 0.000 1.342 412 H CA -1.266 54.765 56.048 -0.029 0.000 1.123 412 H CB 1.296 31.067 29.762 0.014 0.000 1.851 412 H HN 0.077 nan 8.280 nan 0.000 0.531 413 K N 1.066 121.503 120.400 0.061 0.000 2.581 413 K HA 0.333 2.111 4.320 -4.236 0.000 0.249 413 K C -1.093 175.608 176.600 0.169 0.000 0.966 413 K CA -0.286 56.023 56.287 0.037 0.000 0.811 413 K CB 1.927 34.439 32.500 0.020 0.000 1.223 413 K HN 0.919 nan 8.250 nan 0.000 0.438 414 T N 0.844 115.471 114.554 0.122 0.000 2.910 414 T HA 0.675 2.483 4.350 -4.236 0.000 0.293 414 T C -0.022 174.780 174.700 0.169 0.000 1.015 414 T CA -0.387 61.766 62.100 0.089 0.000 1.094 414 T CB 0.138 69.013 68.868 0.011 0.000 0.968 414 T HN 0.407 nan 8.240 nan 0.000 0.521 415 F N -0.574 119.391 119.950 0.025 0.000 2.662 415 F HA 0.765 2.750 4.527 -4.236 0.000 0.312 415 F C -1.518 174.341 175.800 0.099 0.000 1.113 415 F CA -1.873 56.149 58.000 0.036 0.000 0.951 415 F CB 1.256 40.256 39.000 0.000 0.000 1.344 415 F HN 0.487 nan 8.300 nan 0.000 0.462 416 I N 2.759 123.466 120.570 0.228 0.000 2.330 416 I HA 0.303 1.931 4.170 -4.236 0.000 0.289 416 I C -1.560 174.788 176.117 0.384 0.000 1.001 416 I CA -0.784 60.618 61.300 0.170 0.000 1.193 416 I CB 1.412 39.461 38.000 0.081 0.000 1.345 416 I HN 0.672 nan 8.210 nan 0.000 0.461 417 Y N 6.217 126.718 120.300 0.335 0.000 2.376 417 Y HA 0.260 2.268 4.550 -4.237 0.000 0.340 417 Y C 0.456 176.543 175.900 0.312 0.000 0.965 417 Y CA -0.802 57.518 58.100 0.367 0.000 1.078 417 Y CB 1.178 39.916 38.460 0.463 0.000 1.193 417 Y HN 0.696 nan 8.280 nan 0.000 0.452 418 D N 4.113 124.200 120.400 -0.522 0.000 2.811 418 D HA -0.298 1.800 4.640 -4.236 0.000 0.231 418 D C -0.029 176.217 176.300 -0.090 0.000 1.157 418 D CA 1.808 55.577 54.000 -0.385 0.000 0.716 418 D CB -1.122 39.417 40.800 -0.434 0.000 1.077 418 D HN 0.847 nan 8.370 nan 0.000 0.428 419 N N -1.885 116.787 118.700 -0.047 0.000 2.878 419 N HA -0.183 2.015 4.740 -4.236 0.000 0.247 419 N C -0.203 175.281 175.510 -0.044 0.000 1.021 419 N CA 1.622 54.655 53.050 -0.030 0.000 0.873 419 N CB -1.642 36.823 38.487 -0.037 0.000 1.128 419 N HN 0.754 nan 8.380 nan 0.000 0.571 420 T N -2.743 111.785 114.554 -0.042 0.000 2.908 420 T HA 0.513 2.321 4.350 -4.236 0.000 0.290 420 T C -0.288 174.166 174.700 -0.411 0.000 1.034 420 T CA -0.763 61.206 62.100 -0.219 0.000 1.010 420 T CB 3.073 71.777 68.868 -0.273 0.000 1.068 420 T HN 0.130 nan 8.240 nan 0.000 0.481 421 E N 1.215 121.109 120.200 -0.510 0.000 2.289 421 E HA 0.490 2.298 4.350 -4.236 0.000 0.278 421 E C -1.357 174.730 176.600 -0.855 0.000 1.032 421 E CA -0.595 55.504 56.400 -0.502 0.000 0.854 421 E CB 0.463 29.988 29.700 -0.292 0.000 1.046 421 E HN 0.551 nan 8.360 nan 0.000 0.409 422 F N 1.026 120.620 119.950 -0.593 0.000 2.593 422 F HA 0.387 2.372 4.527 -4.236 0.000 0.320 422 F C 0.155 175.597 175.800 -0.597 0.000 1.060 422 F CA -0.804 56.801 58.000 -0.658 0.000 0.940 422 F CB 2.366 40.734 39.000 -1.054 0.000 1.268 422 F HN 0.180 nan 8.300 nan 0.000 0.475 423 T N 2.710 117.235 114.554 -0.048 0.000 2.807 423 T HA 0.585 2.393 4.350 -4.236 0.000 0.279 423 T C -1.337 173.478 174.700 0.191 0.000 0.993 423 T CA -0.425 61.721 62.100 0.077 0.000 0.970 423 T CB 1.432 70.352 68.868 0.086 0.000 0.950 423 T HN 0.276 nan 8.240 nan 0.000 0.441 424 L N 3.077 124.462 121.223 0.269 0.000 2.329 424 L HA 0.865 2.663 4.340 -4.236 0.000 0.279 424 L C -0.289 176.655 176.870 0.123 0.000 1.014 424 L CA -0.206 54.751 54.840 0.196 0.000 0.814 424 L CB 1.177 43.311 42.059 0.125 0.000 1.257 424 L HN 0.851 nan 8.230 nan 0.000 0.424 425 A N 2.202 125.069 122.820 0.078 0.000 2.486 425 A HA 0.585 2.363 4.320 -4.236 0.000 0.289 425 A C -1.024 176.568 177.584 0.013 0.000 1.176 425 A CA -0.687 51.378 52.037 0.047 0.000 0.757 425 A CB 0.728 19.779 19.000 0.084 0.000 1.337 425 A HN 0.684 nan 8.150 nan 0.000 0.423 426 H N -0.100 119.036 119.070 0.109 0.000 3.034 426 H HA 0.272 2.286 4.556 -4.237 0.000 0.324 426 H C 1.509 176.902 175.328 0.108 0.000 1.015 426 H CA 2.071 58.200 56.048 0.134 0.000 1.429 426 H CB 0.542 30.410 29.762 0.176 0.000 1.429 426 H HN 1.551 nan 8.280 nan 0.000 0.585 427 G N 2.908 111.762 108.800 0.091 0.000 2.195 427 G HA2 -0.298 1.120 3.960 -4.236 0.000 0.246 427 G HA3 -0.298 1.120 3.960 -4.236 0.000 0.246 427 G C 0.470 175.219 174.900 -0.251 0.000 0.984 427 G CA 0.195 45.028 45.100 -0.445 0.000 0.633 427 G HN 0.603 nan 8.290 nan 0.000 0.525 428 S N 0.482 116.139 115.700 -0.071 0.000 2.525 428 S HA 0.390 2.318 4.470 -4.236 0.000 0.285 428 S C 0.840 175.425 174.600 -0.025 0.000 1.283 428 S CA -0.098 58.096 58.200 -0.009 0.000 1.072 428 S CB 1.429 64.672 63.200 0.072 0.000 0.867 428 S HN 0.674 nan 8.310 nan 0.000 0.492 429 V N 5.788 125.691 119.914 -0.019 0.000 2.446 429 V HA 0.055 1.633 4.120 -4.236 0.000 0.276 429 V C 1.180 177.264 176.094 -0.016 0.000 1.030 429 V CA 0.157 62.441 62.300 -0.026 0.000 1.033 429 V CB 0.750 32.571 31.823 -0.003 0.000 0.993 429 V HN 0.863 nan 8.190 nan 0.000 0.477 430 V N 3.335 123.225 119.914 -0.040 0.000 3.635 430 V HA 0.478 2.056 4.120 -4.236 0.000 0.266 430 V C 0.497 176.512 176.094 -0.133 0.000 1.316 430 V CA 0.461 62.718 62.300 -0.071 0.000 1.060 430 V CB 0.059 31.829 31.823 -0.088 0.000 0.820 430 V HN 0.554 nan 8.190 nan 0.000 0.447 431 I N 1.561 122.071 120.570 -0.101 0.000 2.466 431 I HA 0.796 2.424 4.170 -4.236 0.000 0.289 431 I C -0.455 175.650 176.117 -0.020 0.000 1.026 431 I CA -0.646 60.601 61.300 -0.088 0.000 1.078 431 I CB 1.925 39.879 38.000 -0.077 0.000 1.249 431 I HN 0.172 nan 8.210 nan 0.000 0.429 432 A N 5.367 128.179 122.820 -0.012 0.000 2.522 432 A HA 0.842 2.621 4.320 -4.236 0.000 0.285 432 A C -0.716 176.974 177.584 0.176 0.000 1.198 432 A CA -0.431 51.675 52.037 0.115 0.000 0.742 432 A CB 1.016 20.130 19.000 0.190 0.000 1.176 432 A HN 0.741 nan 8.150 nan 0.000 0.444 433 A N 2.901 125.826 122.820 0.176 0.000 2.319 433 A HA 0.706 2.484 4.320 -4.236 0.000 0.310 433 A C -0.458 177.230 177.584 0.174 0.000 1.152 433 A CA -0.372 51.762 52.037 0.161 0.000 0.783 433 A CB 0.357 19.404 19.000 0.078 0.000 1.184 433 A HN 0.731 nan 8.150 nan 0.000 0.474 434 I N 4.028 124.720 120.570 0.204 0.000 2.241 434 I HA 0.219 1.847 4.170 -4.236 0.000 0.294 434 I C 0.202 176.359 176.117 0.068 0.000 1.145 434 I CA 0.197 61.559 61.300 0.104 0.000 1.261 434 I CB 0.097 38.130 38.000 0.055 0.000 1.475 434 I HN 0.710 nan 8.210 nan 0.000 0.533 435 T N 1.190 115.776 114.554 0.052 0.000 2.883 435 T HA 0.683 2.491 4.350 -4.236 0.000 0.284 435 T C -0.160 174.555 174.700 0.025 0.000 1.041 435 T CA -1.150 60.967 62.100 0.029 0.000 1.007 435 T CB 1.909 70.789 68.868 0.021 0.000 1.220 435 T HN 0.400 nan 8.240 nan 0.000 0.552 436 S N -1.051 114.657 115.700 0.014 0.000 2.813 436 S HA -0.145 1.783 4.470 -4.236 0.000 0.857 436 S C 1.173 175.793 174.600 0.034 0.000 0.865 436 S CA -0.153 58.053 58.200 0.011 0.000 1.493 436 S CB -1.450 61.751 63.200 0.002 0.000 1.073 436 S HN 1.738 nan 8.310 nan 0.000 0.228 437 C N 3.975 123.306 119.300 0.051 0.000 2.410 437 C HA -0.013 1.905 4.460 -4.236 0.000 0.281 437 C C 2.634 177.667 174.990 0.071 0.000 1.318 437 C CA 1.546 60.618 59.018 0.090 0.000 1.776 437 C CB -2.332 25.495 27.740 0.146 0.000 1.942 437 C HN 0.959 nan 8.230 nan 0.000 0.508 438 T N 1.959 116.532 114.554 0.032 0.000 2.685 438 T HA -0.225 1.583 4.350 -4.236 0.000 0.268 438 T C 1.387 176.099 174.700 0.020 0.000 1.034 438 T CA 2.645 64.749 62.100 0.007 0.000 1.149 438 T CB -0.473 68.382 68.868 -0.022 0.000 0.860 438 T HN 0.797 nan 8.240 nan 0.000 0.449 439 N N -0.569 118.150 118.700 0.032 0.000 2.382 439 N HA 0.053 2.251 4.740 -4.236 0.000 0.200 439 N C 1.837 177.381 175.510 0.057 0.000 1.122 439 N CA 0.649 53.722 53.050 0.037 0.000 0.870 439 N CB 0.245 38.752 38.487 0.033 0.000 1.176 439 N HN 0.428 nan 8.380 nan 0.000 0.474 440 T N -2.327 112.268 114.554 0.068 0.000 3.113 440 T HA 0.077 1.885 4.350 -4.236 0.000 0.263 440 T C 1.344 176.127 174.700 0.138 0.000 1.143 440 T CA 0.597 62.753 62.100 0.092 0.000 1.090 440 T CB -0.209 68.705 68.868 0.077 0.000 0.922 440 T HN -0.110 nan 8.240 nan 0.000 0.521 441 S N 1.762 117.540 115.700 0.131 0.000 2.593 441 S HA 0.161 2.089 4.470 -4.236 0.000 0.217 441 S C 0.646 175.345 174.600 0.165 0.000 0.966 441 S CA -0.338 57.965 58.200 0.171 0.000 0.914 441 S CB -0.282 63.004 63.200 0.142 0.000 0.776 441 S HN 0.537 nan 8.310 nan 0.000 0.523 442 N N 1.742 120.516 118.700 0.123 0.000 2.621 442 N HA 0.306 2.504 4.740 -4.236 0.000 0.237 442 N C -2.563 173.003 175.510 0.093 0.000 0.997 442 N CA -2.238 50.862 53.050 0.083 0.000 0.918 442 N CB 1.504 40.008 38.487 0.028 0.000 1.122 442 N HN -0.130 nan 8.380 nan 0.000 0.510 443 P HA -0.040 nan 4.420 nan 0.000 0.223 443 P C 0.929 178.199 177.300 -0.049 0.000 1.144 443 P CA 0.934 64.017 63.100 -0.029 0.000 0.783 443 P CB 0.493 32.045 31.700 -0.248 0.000 0.771 444 S N -0.624 115.061 115.700 -0.026 0.000 2.368 444 S HA -0.095 1.833 4.470 -4.236 0.000 0.224 444 S C 1.853 176.434 174.600 -0.032 0.000 1.029 444 S CA 1.579 59.759 58.200 -0.034 0.000 0.988 444 S CB -1.003 62.182 63.200 -0.026 0.000 0.838 444 S HN 0.135 nan 8.310 nan 0.000 0.462 445 V N -1.091 118.816 119.914 -0.013 0.000 2.788 445 V HA 0.075 1.654 4.120 -4.236 0.000 0.251 445 V C 1.961 178.031 176.094 -0.040 0.000 1.068 445 V CA 0.705 62.987 62.300 -0.030 0.000 1.090 445 V CB -0.670 31.149 31.823 -0.006 0.000 0.710 445 V HN 0.285 nan 8.190 nan 0.000 0.467 446 M N 0.327 119.939 119.600 0.021 0.000 2.156 446 M HA 0.137 2.075 4.480 -4.236 0.000 0.264 446 M C 2.209 178.537 176.300 0.047 0.000 1.067 446 M CA 1.671 57.008 55.300 0.061 0.000 1.131 446 M CB -1.032 31.686 32.600 0.198 0.000 1.368 446 M HN 0.366 nan 8.290 nan 0.000 0.416 447 L N -0.671 120.579 121.223 0.045 0.000 2.131 447 L HA -0.001 1.797 4.340 -4.236 0.000 0.206 447 L C 2.643 179.461 176.870 -0.086 0.000 1.087 447 L CA 0.908 55.748 54.840 -0.000 0.000 0.767 447 L CB -1.163 40.880 42.059 -0.027 0.000 0.917 447 L HN 0.353 nan 8.230 nan 0.000 0.441 448 G N 0.095 108.824 108.800 -0.119 0.000 2.476 448 G HA2 -0.337 1.081 3.960 -4.236 0.000 0.218 448 G HA3 -0.337 1.081 3.960 -4.236 0.000 0.218 448 G C 1.756 176.476 174.900 -0.301 0.000 1.164 448 G CA 0.980 45.949 45.100 -0.218 0.000 0.768 448 G HN 0.466 nan 8.290 nan 0.000 0.560 449 A N 0.660 123.330 122.820 -0.252 0.000 1.933 449 A HA 0.181 1.959 4.320 -4.236 0.000 0.218 449 A C 2.699 180.136 177.584 -0.245 0.000 1.175 449 A CA 2.082 53.945 52.037 -0.289 0.000 0.628 449 A CB -0.945 17.902 19.000 -0.255 0.000 0.814 449 A HN 0.563 nan 8.150 nan 0.000 0.444 450 G N -0.303 108.401 108.800 -0.160 0.000 2.408 450 G HA2 -0.081 1.337 3.960 -4.236 0.000 0.217 450 G HA3 -0.081 1.337 3.960 -4.236 0.000 0.217 450 G C 1.525 176.343 174.900 -0.136 0.000 1.150 450 G CA 0.946 45.981 45.100 -0.109 0.000 0.776 450 G HN 0.433 nan 8.290 nan 0.000 0.542 451 L N -0.163 120.960 121.223 -0.167 0.000 2.109 451 L HA 0.127 1.925 4.340 -4.236 0.000 0.207 451 L C 2.681 179.412 176.870 -0.231 0.000 1.086 451 L CA 0.300 55.027 54.840 -0.188 0.000 0.760 451 L CB -0.390 41.570 42.059 -0.164 0.000 0.910 451 L HN 0.195 nan 8.230 nan 0.000 0.437 452 L N 0.137 121.187 121.223 -0.289 0.000 2.012 452 L HA -0.229 1.569 4.340 -4.236 0.000 0.210 452 L C 2.775 179.512 176.870 -0.222 0.000 1.073 452 L CA 1.596 56.252 54.840 -0.307 0.000 0.748 452 L CB -0.276 41.514 42.059 -0.447 0.000 0.891 452 L HN 0.225 nan 8.230 nan 0.000 0.431 453 A N -0.157 122.544 122.820 -0.198 0.000 1.908 453 A HA -0.299 1.479 4.320 -4.236 0.000 0.218 453 A C 2.369 179.882 177.584 -0.117 0.000 1.181 453 A CA 2.149 54.117 52.037 -0.114 0.000 0.627 453 A CB -0.607 18.355 19.000 -0.064 0.000 0.818 453 A HN 0.519 nan 8.150 nan 0.000 0.445 454 K N -0.164 120.088 120.400 -0.248 0.000 2.002 454 K HA -0.191 1.587 4.320 -4.236 0.000 0.209 454 K C 1.980 178.342 176.600 -0.398 0.000 1.048 454 K CA 1.915 57.843 56.287 -0.597 0.000 0.930 454 K CB -0.198 31.879 32.500 -0.704 0.000 0.714 454 K HN 0.376 nan 8.250 nan 0.000 0.438 455 K N -0.066 120.180 120.400 -0.256 0.000 2.209 455 K HA -0.091 1.687 4.320 -4.236 0.000 0.204 455 K C 1.938 178.473 176.600 -0.107 0.000 1.048 455 K CA 1.178 57.366 56.287 -0.164 0.000 0.940 455 K CB -0.047 32.376 32.500 -0.128 0.000 0.729 455 K HN 0.268 nan 8.250 nan 0.000 0.451 456 A N 0.444 123.205 122.820 -0.099 0.000 1.898 456 A HA -0.067 1.712 4.320 -4.236 0.000 0.214 456 A C 2.284 179.859 177.584 -0.015 0.000 1.183 456 A CA 1.038 53.046 52.037 -0.049 0.000 0.622 456 A CB -0.445 18.527 19.000 -0.047 0.000 0.824 456 A HN 0.053 nan 8.150 nan 0.000 0.444 457 V N 0.777 120.692 119.914 0.002 0.000 2.358 457 V HA -0.228 1.350 4.120 -4.236 0.000 0.246 457 V C 2.121 178.240 176.094 0.042 0.000 1.047 457 V CA 2.257 64.598 62.300 0.068 0.000 1.035 457 V CB -0.822 31.130 31.823 0.216 0.000 0.658 457 V HN 0.473 nan 8.190 nan 0.000 0.452 458 D N 0.778 121.167 120.400 -0.019 0.000 2.149 458 D HA -0.139 1.960 4.640 -4.236 0.000 0.198 458 D C 1.973 178.269 176.300 -0.007 0.000 0.990 458 D CA 1.729 55.716 54.000 -0.021 0.000 0.839 458 D CB -0.237 40.516 40.800 -0.077 0.000 0.948 458 D HN 0.481 nan 8.370 nan 0.000 0.460 459 A N -0.595 122.217 122.820 -0.013 0.000 2.238 459 A HA 0.419 2.197 4.320 -4.236 0.000 0.208 459 A C 1.666 179.252 177.584 0.003 0.000 1.177 459 A CA 0.976 53.010 52.037 -0.005 0.000 0.804 459 A CB -0.233 18.762 19.000 -0.009 0.000 0.823 459 A HN 0.249 nan 8.150 nan 0.000 0.482 460 G N -1.112 107.696 108.800 0.013 0.000 2.136 460 G HA2 -0.212 1.206 3.960 -4.236 0.000 0.242 460 G HA3 -0.212 1.206 3.960 -4.236 0.000 0.242 460 G C 0.055 174.967 174.900 0.020 0.000 0.989 460 G CA 0.350 45.462 45.100 0.020 0.000 0.682 460 G HN 0.439 nan 8.290 nan 0.000 0.522 461 L N -0.529 120.706 121.223 0.019 0.000 2.421 461 L HA 0.645 2.443 4.340 -4.236 0.000 0.263 461 L C 0.558 177.450 176.870 0.037 0.000 1.122 461 L CA -0.754 54.099 54.840 0.022 0.000 0.804 461 L CB 1.181 43.247 42.059 0.013 0.000 1.150 461 L HN 0.220 nan 8.230 nan 0.000 0.457 462 N N -0.723 118.002 118.700 0.042 0.000 2.494 462 N HA 0.506 2.704 4.740 -4.236 0.000 0.270 462 N C -1.644 173.892 175.510 0.045 0.000 1.285 462 N CA -0.568 52.512 53.050 0.049 0.000 0.812 462 N CB 2.448 40.966 38.487 0.051 0.000 1.557 462 N HN 0.111 nan 8.380 nan 0.000 0.487 463 V N 1.892 121.827 119.914 0.034 0.000 2.394 463 V HA 0.389 1.967 4.120 -4.236 0.000 0.282 463 V C 0.235 176.288 176.094 -0.069 0.000 1.031 463 V CA -0.568 61.724 62.300 -0.012 0.000 0.881 463 V CB 1.153 32.971 31.823 -0.008 0.000 0.982 463 V HN 0.641 nan 8.190 nan 0.000 0.451 464 M N 6.687 126.209 119.600 -0.131 0.000 2.249 464 M HA 0.121 2.059 4.480 -4.236 0.000 0.340 464 M C -1.337 174.746 176.300 -0.362 0.000 1.166 464 M CA -0.952 54.245 55.300 -0.173 0.000 1.115 464 M CB 0.723 33.204 32.600 -0.199 0.000 1.606 464 M HN 0.400 nan 8.290 nan 0.000 0.448 465 P HA -0.122 nan 4.420 nan 0.000 0.226 465 P C 0.551 177.664 177.300 -0.312 0.000 1.153 465 P CA 1.162 64.212 63.100 -0.084 0.000 0.777 465 P CB -0.272 31.569 31.700 0.234 0.000 0.794 466 Y N -1.328 118.610 120.300 -0.604 0.000 2.519 466 Y HA 0.219 2.227 4.550 -4.236 0.000 0.287 466 Y C 0.850 176.419 175.900 -0.551 0.000 1.128 466 Y CA -0.710 56.823 58.100 -0.945 0.000 1.282 466 Y CB -1.354 36.573 38.460 -0.887 0.000 1.027 466 Y HN -0.238 nan 8.280 nan 0.000 0.551 467 I N 3.118 123.135 120.570 -0.921 0.000 2.618 467 I HA -0.028 1.600 4.170 -4.236 0.000 0.284 467 I C 0.484 176.372 176.117 -0.382 0.000 1.146 467 I CA 0.111 61.051 61.300 -0.600 0.000 1.425 467 I CB 0.720 38.371 38.000 -0.581 0.000 1.383 467 I HN 0.121 nan 8.210 nan 0.000 0.562 468 K N 6.324 126.556 120.400 -0.281 0.000 2.171 468 K HA 0.135 1.913 4.320 -4.236 0.000 0.274 468 K C -0.245 176.201 176.600 -0.256 0.000 1.110 468 K CA -0.316 55.830 56.287 -0.235 0.000 0.952 468 K CB 0.103 32.495 32.500 -0.180 0.000 1.309 468 K HN 0.700 nan 8.250 nan 0.000 0.414 469 T N 0.081 114.408 114.554 -0.378 0.000 2.837 469 T HA 0.516 2.325 4.350 -4.236 0.000 0.285 469 T C -0.203 174.188 174.700 -0.515 0.000 0.984 469 T CA -0.827 60.881 62.100 -0.653 0.000 1.049 469 T CB 1.499 69.706 68.868 -1.101 0.000 0.947 469 T HN 0.419 nan 8.240 nan 0.000 0.472 470 S N 2.425 117.902 115.700 -0.372 0.000 2.570 470 S HA 0.648 2.576 4.470 -4.236 0.000 0.270 470 S C -1.383 173.295 174.600 0.130 0.000 1.149 470 S CA -1.134 56.996 58.200 -0.116 0.000 0.837 470 S CB 1.627 64.786 63.200 -0.067 0.000 1.124 470 S HN 0.900 nan 8.310 nan 0.000 0.465 471 L N 1.922 123.198 121.223 0.089 0.000 2.343 471 L HA 0.640 2.438 4.340 -4.236 0.000 0.278 471 L C -1.049 175.796 176.870 -0.042 0.000 0.996 471 L CA -0.350 54.539 54.840 0.082 0.000 0.831 471 L CB 1.943 44.051 42.059 0.082 0.000 1.232 471 L HN 0.954 nan 8.230 nan 0.000 0.413 472 S N 5.223 120.898 115.700 -0.042 0.000 2.269 472 S HA 0.385 2.313 4.470 -4.236 0.000 0.194 472 S C -2.525 172.035 174.600 -0.067 0.000 1.547 472 S CA -1.073 57.066 58.200 -0.102 0.000 1.186 472 S CB 0.910 64.072 63.200 -0.064 0.000 1.069 472 S HN 0.433 nan 8.310 nan 0.000 0.473 473 P HA 0.214 nan 4.420 nan 0.000 0.271 473 P C 1.039 178.429 177.300 0.149 0.000 1.218 473 P CA -0.177 62.950 63.100 0.045 0.000 0.780 473 P CB 0.498 32.250 31.700 0.087 0.000 0.901 474 G N 0.358 109.241 108.800 0.138 0.000 2.744 474 G HA2 0.149 1.567 3.960 -4.236 0.000 0.211 474 G HA3 0.149 1.567 3.960 -4.236 0.000 0.211 474 G C 0.175 175.173 174.900 0.163 0.000 1.143 474 G CA 0.489 45.677 45.100 0.148 0.000 0.788 474 G HN 0.707 nan 8.290 nan 0.000 0.534 475 S N -3.206 112.585 115.700 0.153 0.000 2.611 475 S HA 0.506 2.434 4.470 -4.236 0.000 0.268 475 S C 1.046 175.554 174.600 -0.153 0.000 1.156 475 S CA 0.343 58.533 58.200 -0.016 0.000 0.817 475 S CB 0.992 64.214 63.200 0.037 0.000 1.122 475 S HN 0.366 nan 8.310 nan 0.000 0.466 476 G N 0.482 108.993 108.800 -0.482 0.000 2.470 476 G HA2 -0.034 1.384 3.960 -4.236 0.000 0.220 476 G HA3 -0.034 1.384 3.960 -4.236 0.000 0.220 476 G C 1.151 175.890 174.900 -0.268 0.000 1.121 476 G CA 1.005 45.825 45.100 -0.467 0.000 0.766 476 G HN 0.788 nan 8.290 nan 0.000 0.553 477 V N 0.674 120.396 119.914 -0.319 0.000 2.332 477 V HA -0.204 1.374 4.120 -4.236 0.000 0.248 477 V C 2.937 178.788 176.094 -0.406 0.000 1.055 477 V CA 1.730 63.815 62.300 -0.359 0.000 1.038 477 V CB -0.415 31.087 31.823 -0.534 0.000 0.651 477 V HN 0.349 nan 8.190 nan 0.000 0.450 478 V N 0.023 119.689 119.914 -0.413 0.000 2.343 478 V HA -0.261 1.317 4.120 -4.236 0.000 0.247 478 V C 2.351 178.017 176.094 -0.713 0.000 1.051 478 V CA 2.961 64.749 62.300 -0.854 0.000 1.036 478 V CB -0.722 30.896 31.823 -0.341 0.000 0.654 478 V HN 0.644 nan 8.190 nan 0.000 0.451 479 T N -0.328 114.063 114.554 -0.270 0.000 2.720 479 T HA -0.224 1.584 4.350 -4.236 0.000 0.268 479 T C 1.681 176.287 174.700 -0.157 0.000 1.037 479 T CA 2.384 64.396 62.100 -0.148 0.000 1.144 479 T CB -0.565 68.314 68.868 0.018 0.000 0.864 479 T HN 0.666 nan 8.240 nan 0.000 0.444 480 Y N 2.012 122.143 120.300 -0.282 0.000 2.070 480 Y HA -0.250 1.758 4.550 -4.237 0.000 0.280 480 Y C 2.306 178.115 175.900 -0.150 0.000 1.148 480 Y CA 1.363 59.342 58.100 -0.202 0.000 1.125 480 Y CB -0.962 37.376 38.460 -0.204 0.000 0.975 480 Y HN 0.525 nan 8.280 nan 0.000 0.492 481 Y N -1.918 118.467 120.300 0.141 0.000 2.439 481 Y HA 0.002 2.010 4.550 -4.237 0.000 0.292 481 Y C 1.938 177.799 175.900 -0.066 0.000 1.130 481 Y CA 0.715 58.840 58.100 0.043 0.000 1.254 481 Y CB -1.424 37.048 38.460 0.019 0.000 1.000 481 Y HN 0.099 nan 8.280 nan 0.000 0.554 482 L N 0.283 121.448 121.223 -0.095 0.000 2.056 482 L HA -0.196 1.602 4.340 -4.236 0.000 0.207 482 L C 2.606 179.435 176.870 -0.068 0.000 1.078 482 L CA 1.705 56.515 54.840 -0.050 0.000 0.749 482 L CB -0.578 41.413 42.059 -0.114 0.000 0.901 482 L HN 0.277 nan 8.230 nan 0.000 0.433 483 Q N -0.536 119.217 119.800 -0.079 0.000 2.079 483 Q HA -0.224 1.574 4.340 -4.236 0.000 0.200 483 Q C 2.117 178.068 176.000 -0.082 0.000 0.974 483 Q CA 1.210 56.963 55.803 -0.084 0.000 0.840 483 Q CB -0.014 28.657 28.738 -0.111 0.000 0.898 483 Q HN 0.287 nan 8.270 nan 0.000 0.430 484 E N 0.517 120.685 120.200 -0.053 0.000 2.110 484 E HA -0.127 1.682 4.350 -4.236 0.000 0.193 484 E C 1.857 178.263 176.600 -0.324 0.000 0.988 484 E CA 1.450 57.827 56.400 -0.039 0.000 0.804 484 E CB 0.008 29.810 29.700 0.170 0.000 0.745 484 E HN 0.339 nan 8.360 nan 0.000 0.458 485 S N -1.552 113.780 115.700 -0.614 0.000 2.607 485 S HA 0.135 2.063 4.470 -4.236 0.000 0.224 485 S C 1.604 176.030 174.600 -0.290 0.000 0.969 485 S CA 0.507 58.157 58.200 -0.917 0.000 0.927 485 S CB 0.013 62.727 63.200 -0.809 0.000 0.772 485 S HN 0.377 nan 8.310 nan 0.000 0.533 486 G N 0.186 108.902 108.800 -0.140 0.000 2.153 486 G HA2 -0.254 1.164 3.960 -4.236 0.000 0.252 486 G HA3 -0.254 1.164 3.960 -4.236 0.000 0.252 486 G C 0.524 175.485 174.900 0.102 0.000 0.994 486 G CA 0.300 45.396 45.100 -0.006 0.000 0.698 486 G HN 0.601 nan 8.290 nan 0.000 0.521 487 V N -0.335 119.611 119.914 0.054 0.000 3.307 487 V HA 0.154 1.732 4.120 -4.236 0.000 0.253 487 V C 2.512 178.682 176.094 0.127 0.000 1.149 487 V CA 2.090 64.474 62.300 0.139 0.000 1.112 487 V CB 0.291 32.123 31.823 0.016 0.000 0.777 487 V HN 0.495 nan 8.190 nan 0.000 0.464 488 M N 1.287 120.901 119.600 0.023 0.000 2.080 488 M HA -0.062 1.876 4.480 -4.236 0.000 0.260 488 M C -0.497 175.778 176.300 -0.041 0.000 1.068 488 M CA 2.428 57.719 55.300 -0.015 0.000 1.109 488 M CB -1.373 31.196 32.600 -0.051 0.000 1.342 488 M HN 0.175 nan 8.290 nan 0.000 0.405 489 P HA -0.148 nan 4.420 nan 0.000 0.218 489 P C 0.819 177.966 177.300 -0.256 0.000 1.148 489 P CA 1.528 64.484 63.100 -0.240 0.000 0.822 489 P CB -0.316 31.143 31.700 -0.403 0.000 0.784 490 Y N -1.241 119.047 120.300 -0.021 0.000 2.263 490 Y HA -0.057 1.951 4.550 -4.237 0.000 0.292 490 Y C 2.253 178.154 175.900 0.001 0.000 1.130 490 Y CA 0.604 58.695 58.100 -0.016 0.000 1.179 490 Y CB -1.036 37.404 38.460 -0.033 0.000 0.998 490 Y HN -0.155 nan 8.280 nan 0.000 0.532 491 L N -1.266 120.039 121.223 0.137 0.000 2.141 491 L HA -0.198 1.600 4.340 -4.236 0.000 0.209 491 L C 2.456 179.412 176.870 0.144 0.000 1.094 491 L CA 0.966 55.879 54.840 0.123 0.000 0.763 491 L CB -0.517 41.586 42.059 0.073 0.000 0.908 491 L HN 0.105 nan 8.230 nan 0.000 0.437 492 S N -0.635 115.101 115.700 0.060 0.000 2.356 492 S HA -0.286 1.642 4.470 -4.236 0.000 0.223 492 S C 1.938 176.556 174.600 0.030 0.000 1.032 492 S CA 1.478 59.693 58.200 0.026 0.000 1.005 492 S CB -0.191 62.993 63.200 -0.027 0.000 0.867 492 S HN 0.432 nan 8.310 nan 0.000 0.449 493 Q N 0.479 120.296 119.800 0.029 0.000 2.084 493 Q HA -0.025 1.773 4.340 -4.236 0.000 0.202 493 Q C 1.612 177.649 176.000 0.062 0.000 0.978 493 Q CA 1.116 56.938 55.803 0.032 0.000 0.844 493 Q CB -0.166 28.592 28.738 0.034 0.000 0.898 493 Q HN 0.467 nan 8.270 nan 0.000 0.426 494 L N -0.552 120.743 121.223 0.120 0.000 2.650 494 L HA 0.098 1.896 4.340 -4.236 0.000 0.235 494 L C 1.087 178.025 176.870 0.114 0.000 1.149 494 L CA 0.553 55.493 54.840 0.166 0.000 0.887 494 L CB -0.185 42.031 42.059 0.262 0.000 1.021 494 L HN 0.603 nan 8.230 nan 0.000 0.441 495 G N -0.515 108.294 108.800 0.016 0.000 2.141 495 G HA2 -0.306 1.112 3.960 -4.236 0.000 0.231 495 G HA3 -0.306 1.112 3.960 -4.236 0.000 0.231 495 G C 0.142 174.848 174.900 -0.324 0.000 0.984 495 G CA -0.403 44.592 45.100 -0.175 0.000 0.660 495 G HN 0.297 nan 8.290 nan 0.000 0.525 496 F N 2.287 122.217 119.950 -0.034 0.000 2.987 496 F HA 0.327 2.312 4.527 -4.237 0.000 0.302 496 F C 0.765 176.536 175.800 -0.048 0.000 1.221 496 F CA -1.138 56.838 58.000 -0.040 0.000 1.307 496 F CB 0.327 39.305 39.000 -0.037 0.000 1.108 496 F HN -0.036 nan 8.300 nan 0.000 0.521 497 D N 0.664 121.084 120.400 0.034 0.000 2.400 497 D HA 0.034 2.132 4.640 -4.236 0.000 0.238 497 D C 0.251 176.538 176.300 -0.022 0.000 1.157 497 D CA 0.285 54.285 54.000 -0.001 0.000 0.889 497 D CB 1.825 42.609 40.800 -0.027 0.000 1.199 497 D HN -0.127 nan 8.370 nan 0.000 0.436 498 V N 2.607 122.487 119.914 -0.056 0.000 2.493 498 V HA -0.051 1.527 4.120 -4.236 0.000 0.292 498 V C 1.591 177.600 176.094 -0.142 0.000 1.016 498 V CA 0.090 62.310 62.300 -0.132 0.000 1.097 498 V CB 0.957 32.669 31.823 -0.186 0.000 0.947 498 V HN 0.469 nan 8.190 nan 0.000 0.479 499 V N 2.131 121.955 119.914 -0.152 0.000 3.644 499 V HA 0.750 2.328 4.120 -4.236 0.000 0.267 499 V C 0.747 176.758 176.094 -0.138 0.000 1.277 499 V CA 0.854 63.093 62.300 -0.102 0.000 1.096 499 V CB -0.114 31.676 31.823 -0.054 0.000 0.828 499 V HN 1.157 nan 8.190 nan 0.000 0.446 500 G N -0.824 107.795 108.800 -0.301 0.000 2.339 500 G HA2 0.379 1.797 3.960 -4.236 0.000 0.302 500 G HA3 0.379 1.797 3.960 -4.236 0.000 0.302 500 G C -1.980 172.607 174.900 -0.520 0.000 1.425 500 G CA -0.749 44.152 45.100 -0.332 0.000 0.899 500 G HN 0.149 nan 8.290 nan 0.000 0.619 501 Y N 0.540 120.833 120.300 -0.011 0.000 2.464 501 Y HA 0.680 2.689 4.550 -4.236 0.000 0.326 501 Y C 0.885 176.770 175.900 -0.024 0.000 0.969 501 Y CA 0.365 58.450 58.100 -0.025 0.000 1.270 501 Y CB 1.787 40.222 38.460 -0.041 0.000 1.103 501 Y HN 1.238 nan 8.280 nan 0.000 0.491 502 G N -0.522 108.309 108.800 0.052 0.000 2.322 502 G HA2 0.149 1.567 3.960 -4.236 0.000 0.295 502 G HA3 0.149 1.567 3.960 -4.236 0.000 0.295 502 G C -0.041 174.816 174.900 -0.071 0.000 1.369 502 G CA -0.532 44.563 45.100 -0.009 0.000 0.821 502 G HN 0.526 nan 8.290 nan 0.000 0.536 503 C N -0.033 119.164 119.300 -0.172 0.000 2.432 503 C HA 0.115 2.033 4.460 -4.236 0.000 0.277 503 C C 2.255 177.168 174.990 -0.128 0.000 1.249 503 C CA 1.680 60.568 59.018 -0.216 0.000 1.725 503 C CB -1.692 25.752 27.740 -0.494 0.000 2.028 503 C HN 0.810 nan 8.230 nan 0.000 0.477 504 M N -0.747 118.783 119.600 -0.115 0.000 7.319 504 M HA -0.378 1.560 4.480 -4.236 0.000 0.312 504 M C 1.410 177.695 176.300 -0.026 0.000 0.480 504 M CA 2.154 57.422 55.300 -0.053 0.000 1.311 504 M CB -1.978 30.599 32.600 -0.039 0.000 0.421 504 M HN 0.293 nan 8.290 nan 0.000 0.740 505 T N 0.150 114.702 114.554 -0.002 0.000 2.778 505 T HA -0.201 1.607 4.350 -4.236 0.000 0.269 505 T C 1.552 176.270 174.700 0.030 0.000 1.050 505 T CA 1.811 63.927 62.100 0.026 0.000 1.137 505 T CB -0.624 68.264 68.868 0.035 0.000 0.860 505 T HN 0.634 nan 8.240 nan 0.000 0.468 506 C N 0.683 119.988 119.300 0.009 0.000 2.413 506 C HA 0.001 1.919 4.460 -4.236 0.000 0.277 506 C C 2.251 177.260 174.990 0.032 0.000 1.265 506 C CA 0.337 59.363 59.018 0.014 0.000 1.752 506 C CB -1.192 26.541 27.740 -0.013 0.000 1.998 506 C HN 0.493 nan 8.230 nan 0.000 0.489 507 I N 0.167 120.740 120.570 0.005 0.000 3.883 507 I HA 0.301 1.929 4.170 -4.236 0.000 0.326 507 I C 1.691 177.863 176.117 0.090 0.000 1.283 507 I CA 1.121 62.449 61.300 0.046 0.000 1.161 507 I CB -0.471 37.499 38.000 -0.050 0.000 1.012 507 I HN 0.562 nan 8.210 nan 0.000 0.421 508 G N 0.659 109.502 108.800 0.071 0.000 2.176 508 G HA2 -0.291 1.127 3.960 -4.236 0.000 0.232 508 G HA3 -0.291 1.127 3.960 -4.236 0.000 0.232 508 G C 0.588 175.526 174.900 0.063 0.000 0.986 508 G CA 0.127 45.275 45.100 0.080 0.000 0.643 508 G HN 0.478 nan 8.290 nan 0.000 0.522 509 N N 1.565 120.296 118.700 0.050 0.000 3.210 509 N HA 0.297 2.495 4.740 -4.236 0.000 0.314 509 N C 1.610 177.137 175.510 0.030 0.000 1.291 509 N CA 0.270 53.344 53.050 0.039 0.000 1.202 509 N CB 0.197 38.699 38.487 0.025 0.000 1.475 509 N HN 0.485 nan 8.380 nan 0.000 0.554 510 S N -0.594 115.135 115.700 0.048 0.000 2.528 510 S HA 0.214 2.142 4.470 -4.236 0.000 0.219 510 S C 1.277 175.924 174.600 0.079 0.000 0.985 510 S CA -0.076 58.173 58.200 0.082 0.000 0.914 510 S CB 0.197 63.501 63.200 0.172 0.000 0.776 510 S HN 0.560 nan 8.310 nan 0.000 0.526 511 G N 2.333 111.158 108.800 0.041 0.000 2.782 511 G HA2 -0.110 1.308 3.960 -4.236 0.000 0.228 511 G HA3 -0.110 1.308 3.960 -4.236 0.000 0.228 511 G C -3.192 171.749 174.900 0.069 0.000 1.372 511 G CA -0.573 44.530 45.100 0.004 0.000 0.862 511 G HN 0.391 nan 8.290 nan 0.000 0.547 512 P HA 0.544 nan 4.420 nan 0.000 0.277 512 P C 0.015 177.358 177.300 0.072 0.000 1.240 512 P CA -0.408 62.735 63.100 0.072 0.000 0.798 512 P CB 0.909 32.595 31.700 -0.022 0.000 0.979 513 L N 2.927 124.199 121.223 0.081 0.000 2.360 513 L HA 0.407 2.205 4.340 -4.236 0.000 0.271 513 L C -1.891 174.957 176.870 -0.036 0.000 1.057 513 L CA -2.380 52.426 54.840 -0.056 0.000 0.803 513 L CB 0.810 42.774 42.059 -0.157 0.000 1.207 513 L HN 0.238 nan 8.230 nan 0.000 0.445 514 P HA -0.018 nan 4.420 nan 0.000 0.262 514 P C 0.102 177.401 177.300 -0.002 0.000 1.182 514 P CA -0.014 63.103 63.100 0.028 0.000 0.761 514 P CB 0.559 32.285 31.700 0.042 0.000 0.795 515 E N 3.987 124.212 120.200 0.041 0.000 2.118 515 E HA -0.141 1.667 4.350 -4.236 0.000 0.195 515 E C -0.765 175.828 176.600 -0.011 0.000 0.992 515 E CA 1.783 58.191 56.400 0.014 0.000 0.804 515 E CB -1.836 27.883 29.700 0.032 0.000 0.741 515 E HN 0.500 nan 8.360 nan 0.000 0.458 516 P HA -0.084 nan 4.420 nan 0.000 0.218 516 P C 1.704 178.841 177.300 -0.272 0.000 1.149 516 P CA 0.769 63.876 63.100 0.011 0.000 0.817 516 P CB 0.050 31.888 31.700 0.229 0.000 0.785 517 V N -0.536 119.111 119.914 -0.445 0.000 2.358 517 V HA -0.174 1.405 4.120 -4.236 0.000 0.246 517 V C 2.465 178.323 176.094 -0.393 0.000 1.047 517 V CA 1.602 63.469 62.300 -0.720 0.000 1.035 517 V CB -1.152 30.325 31.823 -0.576 0.000 0.658 517 V HN -0.036 nan 8.190 nan 0.000 0.452 518 V N -0.001 119.783 119.914 -0.217 0.000 2.343 518 V HA -0.254 1.324 4.120 -4.236 0.000 0.247 518 V C 2.409 178.442 176.094 -0.102 0.000 1.051 518 V CA 2.028 64.256 62.300 -0.120 0.000 1.036 518 V CB -0.673 31.122 31.823 -0.047 0.000 0.654 518 V HN 0.612 nan 8.190 nan 0.000 0.451 519 E N 0.318 120.461 120.200 -0.095 0.000 2.110 519 E HA -0.175 1.633 4.350 -4.236 0.000 0.193 519 E C 2.341 178.897 176.600 -0.074 0.000 0.988 519 E CA 1.213 57.577 56.400 -0.060 0.000 0.804 519 E CB -0.323 29.361 29.700 -0.027 0.000 0.745 519 E HN 0.606 nan 8.360 nan 0.000 0.458 520 A N 1.283 124.024 122.820 -0.131 0.000 1.902 520 A HA -0.191 1.587 4.320 -4.236 0.000 0.217 520 A C 2.173 179.690 177.584 -0.112 0.000 1.181 520 A CA 1.160 53.127 52.037 -0.116 0.000 0.623 520 A CB -0.578 18.304 19.000 -0.196 0.000 0.818 520 A HN 0.127 nan 8.150 nan 0.000 0.443 521 I N 0.141 120.628 120.570 -0.138 0.000 2.142 521 I HA -0.244 1.384 4.170 -4.236 0.000 0.240 521 I C 2.843 178.923 176.117 -0.061 0.000 1.078 521 I CA 1.954 63.195 61.300 -0.099 0.000 1.343 521 I CB -0.578 37.366 38.000 -0.094 0.000 1.046 521 I HN 0.526 nan 8.210 nan 0.000 0.405 522 T N -1.992 112.533 114.554 -0.048 0.000 2.951 522 T HA -0.118 1.690 4.350 -4.236 0.000 0.268 522 T C 1.802 176.484 174.700 -0.030 0.000 1.073 522 T CA 0.652 62.736 62.100 -0.026 0.000 1.134 522 T CB -0.180 68.680 68.868 -0.013 0.000 0.884 522 T HN 0.193 nan 8.240 nan 0.000 0.479 523 Q N 1.614 121.390 119.800 -0.040 0.000 2.083 523 Q HA 0.142 1.941 4.340 -4.236 0.000 0.198 523 Q C 2.472 178.440 176.000 -0.052 0.000 0.969 523 Q CA 1.740 57.521 55.803 -0.038 0.000 0.838 523 Q CB -1.007 27.712 28.738 -0.031 0.000 0.900 523 Q HN 0.686 nan 8.270 nan 0.000 0.436 524 G N 0.352 109.111 108.800 -0.068 0.000 3.371 524 G HA2 0.010 1.428 3.960 -4.236 0.000 0.248 524 G HA3 0.010 1.428 3.960 -4.236 0.000 0.248 524 G C -0.543 174.301 174.900 -0.093 0.000 1.161 524 G CA -0.263 44.780 45.100 -0.094 0.000 0.796 524 G HN 0.158 nan 8.290 nan 0.000 0.539 525 D N 0.082 120.449 120.400 -0.055 0.000 2.692 525 D HA -0.153 1.945 4.640 -4.236 0.000 0.233 525 D C 0.571 176.885 176.300 0.024 0.000 1.172 525 D CA 0.709 54.703 54.000 -0.010 0.000 0.636 525 D CB -1.104 39.697 40.800 0.001 0.000 1.028 525 D HN 0.337 nan 8.370 nan 0.000 0.419 526 L N -0.179 121.011 121.223 -0.054 0.000 2.417 526 L HA 0.246 2.044 4.340 -4.236 0.000 0.268 526 L C 1.234 178.138 176.870 0.057 0.000 1.158 526 L CA -0.641 54.132 54.840 -0.111 0.000 0.819 526 L CB 1.288 43.238 42.059 -0.181 0.000 1.112 526 L HN -0.028 nan 8.230 nan 0.000 0.458 527 V N 3.107 123.166 119.914 0.242 0.000 2.322 527 V HA 0.542 2.120 4.120 -4.236 0.000 0.258 527 V C 0.510 176.640 176.094 0.060 0.000 1.074 527 V CA -0.431 61.894 62.300 0.042 0.000 0.909 527 V CB 0.388 31.995 31.823 -0.359 0.000 1.090 527 V HN 0.781 nan 8.190 nan 0.000 0.486 528 A N 6.066 128.890 122.820 0.006 0.000 2.340 528 A HA 0.738 2.516 4.320 -4.236 0.000 0.268 528 A C -0.230 177.352 177.584 -0.003 0.000 1.100 528 A CA -0.403 51.626 52.037 -0.013 0.000 0.803 528 A CB 1.235 20.208 19.000 -0.044 0.000 1.043 528 A HN 1.060 nan 8.150 nan 0.000 0.488 529 V N 1.596 121.499 119.914 -0.019 0.000 2.459 529 V HA 0.618 2.196 4.120 -4.236 0.000 0.295 529 V C 0.809 176.909 176.094 0.010 0.000 1.029 529 V CA -0.121 62.186 62.300 0.012 0.000 0.874 529 V CB 1.667 33.454 31.823 -0.060 0.000 0.985 529 V HN 1.140 nan 8.190 nan 0.000 0.438 530 G N 3.327 112.154 108.800 0.046 0.000 2.343 530 G HA2 0.585 2.003 3.960 -4.236 0.000 0.319 530 G HA3 0.585 2.003 3.960 -4.236 0.000 0.319 530 G C -1.004 173.947 174.900 0.086 0.000 1.126 530 G CA -0.362 44.762 45.100 0.041 0.000 0.889 530 G HN 0.533 nan 8.290 nan 0.000 0.457 531 V N 3.759 123.722 119.914 0.081 0.000 2.417 531 V HA 0.651 2.229 4.120 -4.236 0.000 0.291 531 V C -0.443 175.727 176.094 0.127 0.000 1.024 531 V CA -0.636 61.736 62.300 0.119 0.000 0.861 531 V CB 1.114 33.009 31.823 0.119 0.000 0.985 531 V HN 0.777 nan 8.190 nan 0.000 0.436 532 L N 3.022 124.320 121.223 0.126 0.000 2.469 532 L HA 0.693 2.491 4.340 -4.236 0.000 0.256 532 L C 0.230 177.160 176.870 0.099 0.000 1.006 532 L CA -1.057 53.847 54.840 0.107 0.000 0.832 532 L CB 1.161 43.270 42.059 0.082 0.000 1.421 532 L HN 0.532 nan 8.230 nan 0.000 0.410 533 S N -1.339 114.411 115.700 0.082 0.000 2.596 533 S HA 0.669 2.597 4.470 -4.236 0.000 0.248 533 S C 0.498 175.126 174.600 0.046 0.000 1.162 533 S CA 0.041 58.281 58.200 0.067 0.000 1.185 533 S CB -0.679 62.554 63.200 0.055 0.000 0.833 533 S HN 1.202 nan 8.310 nan 0.000 0.472 534 G N 1.820 110.646 108.800 0.043 0.000 2.671 534 G HA2 0.459 1.877 3.960 -4.236 0.000 0.275 534 G HA3 0.459 1.877 3.960 -4.236 0.000 0.275 534 G C 0.334 175.240 174.900 0.010 0.000 1.368 534 G CA -0.755 44.356 45.100 0.018 0.000 1.044 534 G HN 0.474 nan 8.290 nan 0.000 0.543 535 N N -1.980 116.712 118.700 -0.014 0.000 2.171 535 N HA 0.142 2.340 4.740 -4.236 0.000 0.212 535 N C 0.380 175.921 175.510 0.053 0.000 1.184 535 N CA -0.179 52.868 53.050 -0.006 0.000 0.888 535 N CB 0.827 39.253 38.487 -0.102 0.000 1.038 535 N HN 0.286 nan 8.380 nan 0.000 0.517 536 R N 0.562 121.103 120.500 0.068 0.000 2.574 536 R HA 0.335 2.133 4.340 -4.236 0.000 0.288 536 R C -0.955 175.377 176.300 0.055 0.000 1.004 536 R CA -0.491 55.684 56.100 0.125 0.000 0.895 536 R CB 1.190 31.652 30.300 0.272 0.000 1.191 536 R HN 0.235 nan 8.270 nan 0.000 0.444 537 N N 2.396 121.042 118.700 -0.090 0.000 2.475 537 N HA 0.054 2.253 4.740 -4.236 0.000 0.272 537 N C -0.884 174.535 175.510 -0.151 0.000 1.482 537 N CA -0.383 52.605 53.050 -0.104 0.000 0.863 537 N CB -0.001 38.398 38.487 -0.146 0.000 1.400 537 N HN 0.219 nan 8.380 nan 0.000 0.489 538 F N 2.248 122.227 119.950 0.047 0.000 2.506 538 F HA 0.110 2.095 4.527 -4.236 0.000 0.351 538 F C 2.051 177.898 175.800 0.078 0.000 1.136 538 F CA -0.384 57.657 58.000 0.067 0.000 1.298 538 F CB 0.966 40.000 39.000 0.055 0.000 1.145 538 F HN 0.222 nan 8.300 nan 0.000 0.593 539 E N 0.324 120.697 120.200 0.288 0.000 2.533 539 E HA -0.007 1.801 4.350 -4.236 0.000 0.201 539 E C 1.456 178.162 176.600 0.177 0.000 1.097 539 E CA 0.721 57.243 56.400 0.204 0.000 0.887 539 E CB -0.300 29.521 29.700 0.202 0.000 0.855 539 E HN 0.865 nan 8.360 nan 0.000 0.540 540 G N 0.834 109.735 108.800 0.169 0.000 2.641 540 G HA2 -0.055 1.363 3.960 -4.236 0.000 0.207 540 G HA3 -0.055 1.363 3.960 -4.236 0.000 0.207 540 G C 1.700 176.665 174.900 0.108 0.000 1.137 540 G CA -0.363 44.807 45.100 0.116 0.000 0.824 540 G HN -0.037 nan 8.290 nan 0.000 0.547 541 R N 0.573 121.151 120.500 0.130 0.000 2.236 541 R HA 0.162 1.960 4.340 -4.236 0.000 0.208 541 R C 2.370 178.739 176.300 0.115 0.000 1.036 541 R CA 0.255 56.428 56.100 0.121 0.000 1.001 541 R CB -0.676 29.715 30.300 0.150 0.000 0.896 541 R HN 0.363 nan 8.270 nan 0.000 0.464 542 V N -0.816 119.170 119.914 0.120 0.000 2.374 542 V HA 0.001 1.579 4.120 -4.236 0.000 0.241 542 V C 0.808 176.999 176.094 0.161 0.000 1.034 542 V CA 1.046 63.420 62.300 0.123 0.000 1.037 542 V CB -0.235 31.654 31.823 0.110 0.000 0.682 542 V HN 0.310 nan 8.190 nan 0.000 0.463 543 H N -0.624 118.476 119.070 0.051 0.000 3.123 543 H HA 0.206 2.220 4.556 -4.236 0.000 0.346 543 H C -2.403 172.951 175.328 0.043 0.000 1.138 543 H CA -0.916 55.154 56.048 0.037 0.000 1.273 543 H CB 2.500 32.274 29.762 0.019 0.000 1.926 543 H HN -0.073 nan 8.280 nan 0.000 0.524 544 P HA -0.089 nan 4.420 nan 0.000 0.223 544 P C 0.549 177.953 177.300 0.172 0.000 1.144 544 P CA 0.972 64.096 63.100 0.041 0.000 0.783 544 P CB 0.571 32.235 31.700 -0.060 0.000 0.771 545 N N -0.707 118.227 118.700 0.389 0.000 2.220 545 N HA 0.022 2.220 4.740 -4.236 0.000 0.195 545 N C 0.278 175.849 175.510 0.103 0.000 1.123 545 N CA 0.471 53.645 53.050 0.207 0.000 0.874 545 N CB 0.331 38.913 38.487 0.158 0.000 0.995 545 N HN 0.246 nan 8.380 nan 0.000 0.498 546 T N -1.531 113.099 114.554 0.126 0.000 2.743 546 T HA 0.421 2.229 4.350 -4.236 0.000 0.292 546 T C 1.005 175.764 174.700 0.099 0.000 0.972 546 T CA -0.629 61.513 62.100 0.070 0.000 0.967 546 T CB 2.043 70.941 68.868 0.050 0.000 0.926 546 T HN -0.084 nan 8.240 nan 0.000 0.459 547 R N 1.712 122.262 120.500 0.082 0.000 2.210 547 R HA 0.353 2.151 4.340 -4.236 0.000 0.203 547 R C 0.794 177.235 176.300 0.234 0.000 1.010 547 R CA 0.367 56.550 56.100 0.139 0.000 1.008 547 R CB 0.343 30.692 30.300 0.082 0.000 0.923 547 R HN 0.788 nan 8.270 nan 0.000 0.469 548 A N 0.976 123.891 122.820 0.158 0.000 2.356 548 A HA 0.515 2.294 4.320 -4.236 0.000 0.310 548 A C -1.151 176.461 177.584 0.047 0.000 1.075 548 A CA -0.791 51.363 52.037 0.195 0.000 0.746 548 A CB 0.913 20.136 19.000 0.373 0.000 1.221 548 A HN 0.087 nan 8.150 nan 0.000 0.443 549 N N 1.089 119.710 118.700 -0.131 0.000 2.295 549 N HA 0.456 2.654 4.740 -4.236 0.000 0.293 549 N C -2.028 173.284 175.510 -0.330 0.000 1.040 549 N CA -0.057 52.927 53.050 -0.110 0.000 0.840 549 N CB 1.922 40.395 38.487 -0.022 0.000 1.468 549 N HN 0.592 nan 8.380 nan 0.000 0.478 550 Y N 1.108 121.415 120.300 0.013 0.000 2.350 550 Y HA 0.414 2.422 4.550 -4.236 0.000 0.338 550 Y C 0.366 176.279 175.900 0.022 0.000 0.961 550 Y CA -0.774 57.329 58.100 0.005 0.000 1.100 550 Y CB 1.573 40.007 38.460 -0.043 0.000 1.179 550 Y HN 0.216 nan 8.280 nan 0.000 0.454 551 L N 4.038 125.346 121.223 0.143 0.000 2.367 551 L HA 0.706 2.504 4.340 -4.236 0.000 0.275 551 L C 0.147 177.113 176.870 0.160 0.000 1.129 551 L CA -0.269 54.642 54.840 0.118 0.000 0.839 551 L CB 0.441 42.541 42.059 0.069 0.000 1.133 551 L HN 0.785 nan 8.230 nan 0.000 0.453 552 A N 1.892 124.804 122.820 0.153 0.000 2.612 552 A HA 0.601 2.379 4.320 -4.236 0.000 0.293 552 A C -0.358 177.312 177.584 0.142 0.000 1.075 552 A CA -0.560 51.583 52.037 0.177 0.000 0.680 552 A CB 1.567 20.718 19.000 0.250 0.000 1.279 552 A HN 0.667 nan 8.150 nan 0.000 0.411 553 S N 1.248 117.035 115.700 0.145 0.000 2.568 553 S HA 0.332 2.260 4.470 -4.236 0.000 0.282 553 S C -1.761 172.881 174.600 0.070 0.000 1.338 553 S CA -0.169 58.095 58.200 0.108 0.000 1.045 553 S CB 0.435 63.716 63.200 0.136 0.000 0.873 553 S HN 0.387 nan 8.310 nan 0.000 0.516 554 P HA -0.117 nan 4.420 nan 0.000 0.216 554 P C -1.352 175.863 177.300 -0.143 0.000 1.157 554 P CA 1.621 64.685 63.100 -0.060 0.000 0.880 554 P CB -1.177 30.478 31.700 -0.076 0.000 0.791 555 P HA -0.117 nan 4.420 nan 0.000 0.218 555 P C 1.641 178.834 177.300 -0.179 0.000 1.149 555 P CA 1.310 64.195 63.100 -0.359 0.000 0.817 555 P CB -0.489 30.761 31.700 -0.751 0.000 0.785 556 L N -0.976 120.284 121.223 0.061 0.000 2.093 556 L HA -0.116 1.682 4.340 -4.236 0.000 0.208 556 L C 2.645 179.610 176.870 0.158 0.000 1.085 556 L CA 1.008 55.935 54.840 0.145 0.000 0.755 556 L CB -0.940 41.278 42.059 0.265 0.000 0.904 556 L HN -0.170 nan 8.230 nan 0.000 0.435 557 V N 0.439 120.430 119.914 0.128 0.000 2.252 557 V HA -0.346 1.233 4.120 -4.236 0.000 0.249 557 V C 2.328 178.489 176.094 0.111 0.000 1.056 557 V CA 2.099 64.492 62.300 0.155 0.000 1.022 557 V CB -0.386 31.493 31.823 0.093 0.000 0.641 557 V HN 0.331 nan 8.190 nan 0.000 0.445 558 I N 0.338 120.836 120.570 -0.121 0.000 2.226 558 I HA -0.257 1.371 4.170 -4.236 0.000 0.245 558 I C 2.698 178.806 176.117 -0.015 0.000 1.100 558 I CA 1.582 62.785 61.300 -0.162 0.000 1.374 558 I CB -0.762 37.007 38.000 -0.386 0.000 1.057 558 I HN 0.324 nan 8.210 nan 0.000 0.413 559 A N 0.421 123.197 122.820 -0.073 0.000 1.902 559 A HA -0.233 1.545 4.320 -4.236 0.000 0.217 559 A C 2.176 179.774 177.584 0.022 0.000 1.181 559 A CA 1.509 53.471 52.037 -0.125 0.000 0.623 559 A CB -1.084 17.700 19.000 -0.359 0.000 0.818 559 A HN 0.438 nan 8.150 nan 0.000 0.443 560 Y N -0.346 120.072 120.300 0.197 0.000 2.293 560 Y HA -0.062 1.946 4.550 -4.237 0.000 0.291 560 Y C 2.858 178.828 175.900 0.117 0.000 1.137 560 Y CA 0.567 58.784 58.100 0.194 0.000 1.202 560 Y CB -0.148 38.395 38.460 0.138 0.000 0.990 560 Y HN 0.370 nan 8.280 nan 0.000 0.537 561 A N 0.347 123.323 122.820 0.260 0.000 1.902 561 A HA -0.161 1.617 4.320 -4.236 0.000 0.217 561 A C 2.130 179.782 177.584 0.114 0.000 1.181 561 A CA 1.573 53.714 52.037 0.173 0.000 0.623 561 A CB -0.901 18.266 19.000 0.279 0.000 0.818 561 A HN 0.464 nan 8.150 nan 0.000 0.443 562 I N -0.249 120.395 120.570 0.124 0.000 2.113 562 I HA -0.274 1.354 4.170 -4.236 0.000 0.238 562 I C 3.017 179.194 176.117 0.101 0.000 1.070 562 I CA 1.116 62.470 61.300 0.090 0.000 1.332 562 I CB -0.435 37.605 38.000 0.067 0.000 1.044 562 I HN 0.340 nan 8.210 nan 0.000 0.402 563 A N 0.297 123.211 122.820 0.155 0.000 1.958 563 A HA -0.184 1.594 4.320 -4.236 0.000 0.221 563 A C 2.146 179.798 177.584 0.113 0.000 1.178 563 A CA 2.068 54.201 52.037 0.160 0.000 0.642 563 A CB -1.257 17.888 19.000 0.242 0.000 0.816 563 A HN 0.738 nan 8.150 nan 0.000 0.453 564 G N -2.967 105.900 108.800 0.112 0.000 2.179 564 G HA2 -0.126 1.292 3.960 -4.236 0.000 0.260 564 G HA3 -0.126 1.292 3.960 -4.236 0.000 0.260 564 G C 0.493 175.433 174.900 0.067 0.000 0.977 564 G CA 1.350 46.491 45.100 0.069 0.000 0.641 564 G HN 1.801 nan 8.290 nan 0.000 0.533 565 T N -1.362 113.235 114.554 0.071 0.000 2.886 565 T HA 0.510 2.318 4.350 -4.236 0.000 0.330 565 T C 0.694 175.372 174.700 -0.036 0.000 1.488 565 T CA 0.182 62.270 62.100 -0.019 0.000 1.054 565 T CB 0.988 69.841 68.868 -0.026 0.000 1.348 565 T HN 1.270 nan 8.240 nan 0.000 0.489 566 I N 0.706 121.111 120.570 -0.275 0.000 3.883 566 I HA 0.519 2.147 4.170 -4.236 0.000 0.326 566 I C 1.109 177.040 176.117 -0.309 0.000 1.283 566 I CA 0.065 61.111 61.300 -0.422 0.000 1.161 566 I CB -0.161 37.310 38.000 -0.882 0.000 1.012 566 I HN 0.388 nan 8.210 nan 0.000 0.421 567 R N 1.861 122.217 120.500 -0.240 0.000 4.680 567 R HA 0.530 2.328 4.340 -4.236 0.000 0.222 567 R C -0.630 175.604 176.300 -0.111 0.000 1.803 567 R CA -0.080 55.943 56.100 -0.128 0.000 1.560 567 R CB -0.175 30.096 30.300 -0.050 0.000 1.412 567 R HN 0.439 nan 8.270 nan 0.000 0.815 568 I N -0.332 120.127 120.570 -0.185 0.000 2.686 568 I HA 0.201 1.829 4.170 -4.236 0.000 0.295 568 I C -1.342 174.569 176.117 -0.342 0.000 1.114 568 I CA -0.875 60.255 61.300 -0.282 0.000 1.038 568 I CB 2.433 40.171 38.000 -0.438 0.000 1.238 568 I HN 0.016 nan 8.210 nan 0.000 0.420 569 D N 6.120 126.387 120.400 -0.221 0.000 2.485 569 D HA 0.238 2.336 4.640 -4.236 0.000 0.229 569 D C 0.655 176.922 176.300 -0.056 0.000 1.101 569 D CA -0.132 53.792 54.000 -0.128 0.000 0.906 569 D CB 0.367 41.150 40.800 -0.029 0.000 1.019 569 D HN 0.424 nan 8.370 nan 0.000 0.516 570 F N 1.444 121.415 119.950 0.035 0.000 2.192 570 F HA -0.199 1.786 4.527 -4.237 0.000 0.301 570 F C 2.435 178.308 175.800 0.121 0.000 1.079 570 F CA 1.027 59.057 58.000 0.050 0.000 1.303 570 F CB 0.193 39.176 39.000 -0.029 0.000 1.024 570 F HN 0.470 nan 8.300 nan 0.000 0.494 571 E N 0.170 120.500 120.200 0.217 0.000 2.285 571 E HA -0.114 1.694 4.350 -4.236 0.000 0.194 571 E C 1.510 178.151 176.600 0.068 0.000 0.997 571 E CA 0.791 57.244 56.400 0.087 0.000 0.845 571 E CB -0.186 29.512 29.700 -0.004 0.000 0.782 571 E HN 0.363 nan 8.360 nan 0.000 0.491 572 K N 0.834 121.326 120.400 0.153 0.000 2.287 572 K HA 0.098 1.876 4.320 -4.236 0.000 0.199 572 K C 0.554 177.346 176.600 0.321 0.000 1.061 572 K CA 0.454 56.839 56.287 0.163 0.000 0.976 572 K CB 0.595 33.145 32.500 0.083 0.000 0.898 572 K HN 0.333 nan 8.250 nan 0.000 0.492 573 E N 3.074 123.438 120.200 0.274 0.000 2.158 573 E HA 0.324 2.132 4.350 -4.236 0.000 0.271 573 E C -2.655 173.968 176.600 0.039 0.000 0.911 573 E CA -2.482 54.014 56.400 0.159 0.000 0.767 573 E CB 1.450 31.176 29.700 0.044 0.000 1.120 573 E HN -0.139 nan 8.360 nan 0.000 0.405 574 P HA -0.003 nan 4.420 nan 0.000 0.269 574 P C 0.423 177.586 177.300 -0.228 0.000 1.215 574 P CA -0.232 62.463 63.100 -0.675 0.000 0.780 574 P CB 1.278 32.526 31.700 -0.754 0.000 0.898 575 L N 0.153 121.281 121.223 -0.157 0.000 2.240 575 L HA 0.175 1.973 4.340 -4.236 0.000 0.211 575 L C 1.423 178.266 176.870 -0.045 0.000 1.106 575 L CA 1.363 56.191 54.840 -0.019 0.000 0.793 575 L CB -0.414 41.662 42.059 0.029 0.000 0.927 575 L HN 0.637 nan 8.230 nan 0.000 0.446 576 G N -1.559 107.180 108.800 -0.101 0.000 2.430 576 G HA2 0.424 1.842 3.960 -4.236 0.000 0.300 576 G HA3 0.424 1.842 3.960 -4.236 0.000 0.300 576 G C -1.965 172.879 174.900 -0.094 0.000 1.330 576 G CA -0.513 44.545 45.100 -0.070 0.000 0.813 576 G HN -0.334 nan 8.290 nan 0.000 0.487 577 V N 1.061 120.941 119.914 -0.056 0.000 2.409 577 V HA 0.426 2.004 4.120 -4.236 0.000 0.291 577 V C -0.197 175.883 176.094 -0.024 0.000 1.020 577 V CA -1.002 61.269 62.300 -0.047 0.000 0.848 577 V CB 1.361 33.162 31.823 -0.036 0.000 0.990 577 V HN 0.787 nan 8.190 nan 0.000 0.430 578 N N 4.268 122.956 118.700 -0.019 0.000 2.415 578 N HA 0.366 2.564 4.740 -4.236 0.000 0.246 578 N C 0.180 175.691 175.510 0.001 0.000 1.078 578 N CA -0.121 52.926 53.050 -0.005 0.000 0.942 578 N CB 1.277 39.764 38.487 -0.001 0.000 1.140 578 N HN 0.874 nan 8.380 nan 0.000 0.501 579 A N 3.702 126.523 122.820 0.002 0.000 2.505 579 A HA 0.302 2.081 4.320 -4.236 0.000 0.271 579 A C 1.034 178.622 177.584 0.007 0.000 1.112 579 A CA 0.103 52.143 52.037 0.004 0.000 0.781 579 A CB -0.384 18.619 19.000 0.005 0.000 1.059 579 A HN 0.939 nan 8.150 nan 0.000 0.508 580 K N 1.322 121.727 120.400 0.008 0.000 8.078 580 K HA -0.138 1.640 4.320 -4.236 0.000 0.189 580 K C 1.076 177.684 176.600 0.013 0.000 1.600 580 K CA 1.202 57.495 56.287 0.010 0.000 0.932 580 K CB -1.327 31.179 32.500 0.010 0.000 0.360 580 K HN 1.138 nan 8.250 nan 0.000 0.421 581 G N 2.360 111.168 108.800 0.015 0.000 3.234 581 G HA2 0.175 1.593 3.960 -4.236 0.000 0.221 581 G HA3 0.175 1.593 3.960 -4.236 0.000 0.221 581 G C 0.460 175.376 174.900 0.026 0.000 1.229 581 G CA 1.312 46.425 45.100 0.021 0.000 0.909 581 G HN 0.416 nan 8.290 nan 0.000 0.510 582 Q N -0.527 119.283 119.800 0.017 0.000 1.409 582 Q HA -0.255 1.543 4.340 -4.236 0.000 0.359 582 Q C 0.499 176.498 176.000 -0.000 0.000 0.955 582 Q CA 1.184 56.994 55.803 0.013 0.000 0.718 582 Q CB -1.162 27.592 28.738 0.026 0.000 4.264 582 Q HN 0.628 nan 8.270 nan 0.000 0.586 583 Q N 0.472 120.273 119.800 0.002 0.000 2.311 583 Q HA 0.386 2.184 4.340 -4.236 0.000 0.272 583 Q C -0.207 175.737 176.000 -0.093 0.000 1.012 583 Q CA 0.013 55.761 55.803 -0.092 0.000 0.891 583 Q CB 0.915 29.592 28.738 -0.103 0.000 1.201 583 Q HN 0.367 nan 8.270 nan 0.000 0.391 584 V N 5.213 125.003 119.914 -0.206 0.000 2.378 584 V HA 0.438 2.017 4.120 -4.236 0.000 0.288 584 V C -1.221 174.744 176.094 -0.215 0.000 1.016 584 V CA -0.454 61.788 62.300 -0.097 0.000 0.840 584 V CB 0.371 32.176 31.823 -0.029 0.000 0.994 584 V HN 0.568 nan 8.190 nan 0.000 0.431 585 F N 4.825 124.796 119.950 0.035 0.000 2.411 585 F HA 0.449 2.434 4.527 -4.237 0.000 0.324 585 F C 0.859 176.674 175.800 0.025 0.000 1.086 585 F CA -0.499 57.531 58.000 0.049 0.000 1.028 585 F CB 1.258 40.284 39.000 0.044 0.000 1.284 585 F HN 0.460 nan 8.300 nan 0.000 0.501 586 L N 1.751 123.092 121.223 0.195 0.000 2.083 586 L HA -0.159 1.639 4.340 -4.236 0.000 0.209 586 L C 2.384 179.305 176.870 0.086 0.000 1.083 586 L CA 1.832 56.679 54.840 0.011 0.000 0.752 586 L CB -0.749 41.101 42.059 -0.348 0.000 0.899 586 L HN 0.697 nan 8.230 nan 0.000 0.433 587 K N -0.559 119.896 120.400 0.091 0.000 2.089 587 K HA -0.252 1.526 4.320 -4.236 0.000 0.210 587 K C 1.596 178.264 176.600 0.113 0.000 1.048 587 K CA 2.096 58.423 56.287 0.066 0.000 0.926 587 K CB -0.253 32.257 32.500 0.016 0.000 0.714 587 K HN 0.453 nan 8.250 nan 0.000 0.448 588 D N 0.282 120.762 120.400 0.133 0.000 2.264 588 D HA -0.110 1.988 4.640 -4.236 0.000 0.208 588 D C 1.690 178.034 176.300 0.074 0.000 0.966 588 D CA 1.358 55.422 54.000 0.106 0.000 0.864 588 D CB 0.068 40.946 40.800 0.130 0.000 0.933 588 D HN 0.590 nan 8.370 nan 0.000 0.499 589 I N -5.089 115.528 120.570 0.078 0.000 4.154 589 I HA 0.222 1.850 4.170 -4.236 0.000 0.334 589 I C 0.305 176.431 176.117 0.015 0.000 1.371 589 I CA -0.702 60.610 61.300 0.019 0.000 1.110 589 I CB 0.361 38.349 38.000 -0.020 0.000 1.085 589 I HN -0.182 nan 8.210 nan 0.000 0.398 590 W N 6.289 127.536 121.300 -0.088 0.000 2.345 590 W HA 0.391 2.509 4.660 -4.236 0.000 0.308 590 W C -2.545 173.934 176.519 -0.067 0.000 1.273 590 W CA -1.656 55.632 57.345 -0.095 0.000 1.243 590 W CB 1.059 30.458 29.460 -0.102 0.000 1.260 590 W HN 0.024 nan 8.180 nan 0.000 0.509 591 P HA 0.121 nan 4.420 nan 0.000 0.284 591 P C 0.007 177.345 177.300 0.064 0.000 1.253 591 P CA 0.031 63.080 63.100 -0.085 0.000 0.800 591 P CB 1.428 33.012 31.700 -0.193 0.000 0.961 592 T N -0.276 114.335 114.554 0.095 0.000 2.788 592 T HA 0.248 2.057 4.350 -4.236 0.000 0.287 592 T C 1.325 176.055 174.700 0.051 0.000 1.007 592 T CA -0.582 61.585 62.100 0.111 0.000 1.005 592 T CB 0.710 69.614 68.868 0.060 0.000 1.012 592 T HN 0.276 nan 8.240 nan 0.000 0.530 593 R N 0.408 120.936 120.500 0.047 0.000 2.285 593 R HA -0.048 1.750 4.340 -4.236 0.000 0.213 593 R C 1.613 177.909 176.300 -0.007 0.000 1.068 593 R CA 1.368 57.477 56.100 0.016 0.000 1.004 593 R CB -0.238 30.070 30.300 0.014 0.000 0.873 593 R HN 0.843 nan 8.270 nan 0.000 0.467 594 D N -0.477 119.918 120.400 -0.009 0.000 2.271 594 D HA -0.100 1.998 4.640 -4.236 0.000 0.206 594 D C 1.098 177.388 176.300 -0.016 0.000 0.967 594 D CA 0.691 54.682 54.000 -0.016 0.000 0.867 594 D CB -0.081 40.708 40.800 -0.019 0.000 0.960 594 D HN 0.195 nan 8.370 nan 0.000 0.509 595 E N 0.230 120.422 120.200 -0.014 0.000 2.152 595 E HA 0.040 1.848 4.350 -4.236 0.000 0.192 595 E C 2.078 178.664 176.600 -0.023 0.000 0.983 595 E CA 0.543 56.932 56.400 -0.019 0.000 0.818 595 E CB -0.010 29.675 29.700 -0.025 0.000 0.758 595 E HN 0.337 nan 8.360 nan 0.000 0.467 596 I N 0.874 121.425 120.570 -0.031 0.000 2.233 596 I HA -0.236 1.392 4.170 -4.236 0.000 0.243 596 I C 2.682 178.782 176.117 -0.029 0.000 1.093 596 I CA 0.985 62.261 61.300 -0.039 0.000 1.380 596 I CB -0.146 37.824 38.000 -0.050 0.000 1.067 596 I HN 0.096 nan 8.210 nan 0.000 0.413 597 Q N 0.822 120.605 119.800 -0.027 0.000 2.084 597 Q HA -0.230 1.568 4.340 -4.236 0.000 0.202 597 Q C 2.394 178.377 176.000 -0.027 0.000 0.978 597 Q CA 1.856 57.641 55.803 -0.029 0.000 0.844 597 Q CB -0.100 28.622 28.738 -0.027 0.000 0.898 597 Q HN 0.571 nan 8.270 nan 0.000 0.426 598 A N -0.012 122.795 122.820 -0.022 0.000 1.873 598 A HA -0.190 1.588 4.320 -4.236 0.000 0.218 598 A C 2.219 179.795 177.584 -0.013 0.000 1.193 598 A CA 1.843 53.867 52.037 -0.022 0.000 0.629 598 A CB -0.962 18.028 19.000 -0.016 0.000 0.826 598 A HN 0.289 nan 8.150 nan 0.000 0.447 599 V N 0.059 119.989 119.914 0.027 0.000 2.343 599 V HA -0.277 1.301 4.120 -4.236 0.000 0.247 599 V C 2.546 178.708 176.094 0.114 0.000 1.051 599 V CA 2.375 64.752 62.300 0.127 0.000 1.036 599 V CB -0.763 31.138 31.823 0.130 0.000 0.654 599 V HN 0.795 nan 8.190 nan 0.000 0.451 600 E N 0.192 120.396 120.200 0.006 0.000 2.077 600 E HA -0.245 1.563 4.350 -4.236 0.000 0.193 600 E C 2.436 179.005 176.600 -0.051 0.000 0.989 600 E CA 1.324 57.691 56.400 -0.055 0.000 0.800 600 E CB -0.045 29.609 29.700 -0.076 0.000 0.746 600 E HN 0.533 nan 8.360 nan 0.000 0.452 601 R N 0.017 120.486 120.500 -0.051 0.000 2.115 601 R HA -0.132 1.666 4.340 -4.236 0.000 0.230 601 R C 2.574 178.815 176.300 -0.098 0.000 1.111 601 R CA 1.705 57.768 56.100 -0.063 0.000 0.976 601 R CB -0.146 30.119 30.300 -0.058 0.000 0.870 601 R HN 0.431 nan 8.270 nan 0.000 0.445 602 Q N -1.227 118.477 119.800 -0.160 0.000 2.398 602 Q HA -0.061 1.738 4.340 -4.236 0.000 0.204 602 Q C 0.651 176.382 176.000 -0.448 0.000 0.932 602 Q CA 1.090 56.700 55.803 -0.321 0.000 0.916 602 Q CB 0.273 28.753 28.738 -0.430 0.000 1.024 602 Q HN 0.455 nan 8.270 nan 0.000 0.504 603 Y N 0.016 120.296 120.300 -0.033 0.000 2.526 603 Y HA 0.262 2.270 4.550 -4.237 0.000 0.265 603 Y C 0.554 176.433 175.900 -0.035 0.000 1.092 603 Y CA -0.526 57.567 58.100 -0.013 0.000 1.277 603 Y CB 1.533 40.003 38.460 0.016 0.000 1.228 603 Y HN -0.165 nan 8.280 nan 0.000 0.507 604 V N 4.708 124.645 119.914 0.037 0.000 2.313 604 V HA 0.185 1.764 4.120 -4.236 0.000 0.252 604 V C -0.244 175.904 176.094 0.090 0.000 1.112 604 V CA -0.289 62.023 62.300 0.020 0.000 0.984 604 V CB -1.219 30.556 31.823 -0.081 0.000 1.157 604 V HN 0.174 nan 8.190 nan 0.000 0.493 605 I N 2.136 122.774 120.570 0.114 0.000 2.730 605 I HA 0.605 2.233 4.170 -4.236 0.000 0.298 605 I C -1.968 174.243 176.117 0.157 0.000 1.089 605 I CA -2.516 58.835 61.300 0.085 0.000 1.041 605 I CB 1.994 40.005 38.000 0.017 0.000 1.235 605 I HN 0.092 nan 8.210 nan 0.000 0.423 606 P HA -0.166 nan 4.420 nan 0.000 0.216 606 P C 1.610 178.981 177.300 0.119 0.000 1.154 606 P CA 2.217 65.369 63.100 0.087 0.000 0.865 606 P CB -0.081 31.614 31.700 -0.009 0.000 0.789 607 G N -0.567 108.259 108.800 0.043 0.000 2.442 607 G HA2 -0.304 1.114 3.960 -4.236 0.000 0.219 607 G HA3 -0.304 1.114 3.960 -4.236 0.000 0.219 607 G C 1.567 176.432 174.900 -0.058 0.000 1.141 607 G CA 1.069 46.173 45.100 0.007 0.000 0.763 607 G HN 0.258 nan 8.290 nan 0.000 0.554 608 M N -0.711 118.785 119.600 -0.174 0.000 2.117 608 M HA 0.026 1.964 4.480 -4.236 0.000 0.262 608 M C 2.185 178.268 176.300 -0.361 0.000 1.065 608 M CA 1.466 56.440 55.300 -0.544 0.000 1.114 608 M CB -0.135 32.067 32.600 -0.663 0.000 1.361 608 M HN 0.237 nan 8.290 nan 0.000 0.408 609 F N 0.222 120.109 119.950 -0.106 0.000 2.206 609 F HA -0.112 1.873 4.527 -4.237 0.000 0.298 609 F C 2.315 178.180 175.800 0.108 0.000 1.090 609 F CA 1.167 59.204 58.000 0.061 0.000 1.323 609 F CB -0.448 38.607 39.000 0.093 0.000 1.028 609 F HN 0.042 nan 8.300 nan 0.000 0.492 610 K N 0.383 120.912 120.400 0.214 0.000 2.002 610 K HA -0.151 1.627 4.320 -4.236 0.000 0.209 610 K C 2.051 178.700 176.600 0.081 0.000 1.048 610 K CA 1.386 57.758 56.287 0.142 0.000 0.930 610 K CB -0.177 32.376 32.500 0.087 0.000 0.714 610 K HN -0.030 nan 8.250 nan 0.000 0.438 611 E N 0.025 120.243 120.200 0.030 0.000 2.077 611 E HA -0.132 1.676 4.350 -4.236 0.000 0.193 611 E C 2.118 178.701 176.600 -0.027 0.000 0.989 611 E CA 0.979 57.394 56.400 0.026 0.000 0.800 611 E CB -0.469 29.285 29.700 0.090 0.000 0.746 611 E HN 0.078 nan 8.360 nan 0.000 0.452 612 V N 0.147 119.996 119.914 -0.109 0.000 2.358 612 V HA -0.221 1.357 4.120 -4.236 0.000 0.246 612 V C 1.807 177.651 176.094 -0.417 0.000 1.047 612 V CA 1.562 63.680 62.300 -0.304 0.000 1.035 612 V CB -0.515 31.010 31.823 -0.496 0.000 0.658 612 V HN 0.262 nan 8.190 nan 0.000 0.452 613 Y N -0.431 119.774 120.300 -0.158 0.000 2.482 613 Y HA 0.009 2.017 4.550 -4.237 0.000 0.270 613 Y C 2.478 178.230 175.900 -0.246 0.000 1.152 613 Y CA 0.597 58.503 58.100 -0.323 0.000 1.292 613 Y CB -0.057 38.128 38.460 -0.459 0.000 1.070 613 Y HN 0.257 nan 8.280 nan 0.000 0.528 614 Q N 1.546 121.350 119.800 0.006 0.000 2.077 614 Q HA -0.231 1.567 4.340 -4.236 0.000 0.206 614 Q C 0.974 176.971 176.000 -0.005 0.000 0.989 614 Q CA 1.861 57.678 55.803 0.024 0.000 0.853 614 Q CB 0.001 28.752 28.738 0.022 0.000 0.907 614 Q HN 0.368 nan 8.270 nan 0.000 0.418 615 K N -0.128 120.244 120.400 -0.046 0.000 2.440 615 K HA 0.095 1.873 4.320 -4.236 0.000 0.206 615 K C 1.371 177.926 176.600 -0.074 0.000 1.025 615 K CA -0.259 56.002 56.287 -0.044 0.000 1.135 615 K CB 0.347 32.821 32.500 -0.044 0.000 0.856 615 K HN 0.158 nan 8.250 nan 0.000 0.502 616 I N 2.498 122.998 120.570 -0.117 0.000 2.185 616 I HA -0.325 1.303 4.170 -4.236 0.000 0.246 616 I C 1.524 177.577 176.117 -0.107 0.000 1.088 616 I CA 1.968 63.176 61.300 -0.153 0.000 1.347 616 I CB 0.192 38.071 38.000 -0.203 0.000 1.041 616 I HN 0.192 nan 8.210 nan 0.000 0.415 617 E N -1.404 118.766 120.200 -0.049 0.000 2.385 617 E HA -0.043 1.765 4.350 -4.236 0.000 0.194 617 E C 1.565 178.171 176.600 0.010 0.000 1.013 617 E CA 1.151 57.535 56.400 -0.026 0.000 0.866 617 E CB 0.050 29.772 29.700 0.037 0.000 0.832 617 E HN 0.651 nan 8.360 nan 0.000 0.500 618 T N -3.086 111.478 114.554 0.016 0.000 3.003 618 T HA 0.131 1.939 4.350 -4.236 0.000 0.261 618 T C 1.572 176.295 174.700 0.039 0.000 1.003 618 T CA -0.231 61.903 62.100 0.056 0.000 0.917 618 T CB 0.403 69.304 68.868 0.054 0.000 1.084 618 T HN -0.003 nan 8.240 nan 0.000 0.522 619 V N 2.072 121.983 119.914 -0.005 0.000 2.809 619 V HA 0.154 1.732 4.120 -4.236 0.000 0.256 619 V C 0.820 176.911 176.094 -0.004 0.000 1.080 619 V CA 0.880 63.168 62.300 -0.021 0.000 1.102 619 V CB -0.583 31.201 31.823 -0.066 0.000 0.705 619 V HN 0.530 nan 8.190 nan 0.000 0.475 620 N N 1.134 119.847 118.700 0.022 0.000 2.402 620 N HA 0.027 2.226 4.740 -4.236 0.000 0.252 620 N C 0.936 176.507 175.510 0.102 0.000 1.118 620 N CA 0.053 53.136 53.050 0.055 0.000 0.945 620 N CB 1.124 39.658 38.487 0.079 0.000 1.147 620 N HN 0.352 nan 8.380 nan 0.000 0.495 621 E N 1.700 121.916 120.200 0.025 0.000 2.208 621 E HA -0.043 1.765 4.350 -4.236 0.000 0.193 621 E C 1.156 177.741 176.600 -0.025 0.000 0.988 621 E CA 0.660 57.066 56.400 0.010 0.000 0.828 621 E CB 0.096 29.785 29.700 -0.018 0.000 0.763 621 E HN 0.525 nan 8.360 nan 0.000 0.478 622 S N 0.728 116.346 115.700 -0.136 0.000 2.371 622 S HA -0.100 1.828 4.470 -4.236 0.000 0.224 622 S C 1.440 176.017 174.600 -0.038 0.000 1.029 622 S CA 0.579 58.562 58.200 -0.361 0.000 0.978 622 S CB -0.246 62.276 63.200 -1.129 0.000 0.833 622 S HN 0.489 nan 8.310 nan 0.000 0.466 623 W N 3.239 124.559 121.300 0.033 0.000 2.354 623 W HA -0.153 1.961 4.660 -4.243 0.000 0.315 623 W C 1.420 178.031 176.519 0.153 0.000 1.206 623 W CA 1.357 58.864 57.345 0.270 0.000 1.290 623 W CB -0.692 28.875 29.460 0.179 0.000 1.152 623 W HN 0.277 nan 8.180 nan 0.000 0.489 624 N N 1.070 119.908 118.700 0.229 0.000 2.192 624 N HA -0.189 2.010 4.740 -4.236 0.000 0.188 624 N C 1.720 177.230 175.510 -0.001 0.000 1.013 624 N CA 2.252 55.360 53.050 0.097 0.000 0.863 624 N CB -1.026 37.532 38.487 0.118 0.000 0.990 624 N HN 0.224 nan 8.380 nan 0.000 0.430 625 A N 0.762 123.586 122.820 0.008 0.000 2.119 625 A HA 0.101 1.879 4.320 -4.236 0.000 0.216 625 A C 0.972 178.553 177.584 -0.005 0.000 1.152 625 A CA -0.047 51.991 52.037 0.002 0.000 0.708 625 A CB -0.291 18.712 19.000 0.005 0.000 0.805 625 A HN 0.190 nan 8.150 nan 0.000 0.460 626 L N 0.955 122.159 121.223 -0.032 0.000 2.559 626 L HA 0.184 1.982 4.340 -4.236 0.000 0.274 626 L C 0.718 177.556 176.870 -0.052 0.000 1.205 626 L CA -0.378 54.440 54.840 -0.036 0.000 0.907 626 L CB 0.439 42.415 42.059 -0.138 0.000 1.153 626 L HN 0.316 nan 8.230 nan 0.000 0.490 627 A N 3.173 125.993 122.820 -0.000 0.000 2.328 627 A HA 0.599 2.377 4.320 -4.236 0.000 0.284 627 A C 0.200 177.803 177.584 0.032 0.000 1.160 627 A CA -0.330 51.713 52.037 0.010 0.000 0.818 627 A CB 0.450 19.462 19.000 0.020 0.000 1.087 627 A HN 0.718 nan 8.150 nan 0.000 0.504 628 T N 1.146 115.728 114.554 0.047 0.000 2.893 628 T HA 0.705 2.513 4.350 -4.236 0.000 0.293 628 T C -2.755 172.022 174.700 0.127 0.000 1.027 628 T CA -1.573 60.600 62.100 0.122 0.000 0.988 628 T CB 1.069 70.033 68.868 0.159 0.000 1.043 628 T HN 0.416 nan 8.240 nan 0.000 0.461 629 P HA 0.192 nan 4.420 nan 0.000 0.269 629 P C 0.849 178.262 177.300 0.189 0.000 1.217 629 P CA -0.494 62.672 63.100 0.110 0.000 0.783 629 P CB 0.453 32.168 31.700 0.024 0.000 0.898 630 S N -1.370 114.390 115.700 0.100 0.000 2.593 630 S HA -0.003 1.926 4.470 -4.236 0.000 0.217 630 S C 0.377 175.044 174.600 0.110 0.000 0.966 630 S CA -0.304 57.945 58.200 0.082 0.000 0.914 630 S CB -0.595 62.622 63.200 0.030 0.000 0.776 630 S HN 0.379 nan 8.310 nan 0.000 0.523 631 D N 2.293 122.798 120.400 0.175 0.000 2.548 631 D HA 0.076 2.174 4.640 -4.236 0.000 0.231 631 D C 0.696 177.165 176.300 0.281 0.000 1.142 631 D CA 0.518 54.641 54.000 0.205 0.000 0.866 631 D CB 0.623 41.525 40.800 0.169 0.000 1.190 631 D HN 0.306 nan 8.370 nan 0.000 0.469 632 K N 0.312 120.800 120.400 0.148 0.000 2.335 632 K HA 0.194 1.972 4.320 -4.236 0.000 0.195 632 K C 0.196 176.894 176.600 0.165 0.000 1.058 632 K CA 0.171 56.487 56.287 0.049 0.000 0.988 632 K CB 0.440 32.905 32.500 -0.059 0.000 0.880 632 K HN 0.269 nan 8.250 nan 0.000 0.513 633 L N 1.332 122.674 121.223 0.198 0.000 2.307 633 L HA 0.345 2.143 4.340 -4.236 0.000 0.284 633 L C -0.364 176.594 176.870 0.146 0.000 1.023 633 L CA -1.069 53.902 54.840 0.218 0.000 0.810 633 L CB 0.866 43.019 42.059 0.156 0.000 1.231 633 L HN -0.099 nan 8.230 nan 0.000 0.423 634 F N 2.794 122.638 119.950 -0.176 0.000 2.484 634 F HA 0.136 2.118 4.527 -4.242 0.000 0.360 634 F C 0.018 175.431 175.800 -0.645 0.000 1.101 634 F CA -0.284 57.287 58.000 -0.715 0.000 1.251 634 F CB 0.581 38.848 39.000 -1.222 0.000 1.132 634 F HN 0.261 nan 8.300 nan 0.000 0.570 635 F N 7.596 126.721 119.950 -1.375 0.000 2.462 635 F HA 0.261 2.245 4.527 -4.240 0.000 0.354 635 F C -0.892 174.367 175.800 -0.902 0.000 1.192 635 F CA -1.155 56.310 58.000 -0.891 0.000 1.173 635 F CB -0.340 38.285 39.000 -0.624 0.000 1.402 635 F HN 0.402 nan 8.300 nan 0.000 0.595 636 W N 5.951 126.907 121.300 -0.573 0.000 2.489 636 W HA 0.066 2.186 4.660 -4.233 0.000 0.327 636 W C 0.695 176.877 176.519 -0.561 0.000 1.436 636 W CA -0.483 56.696 57.345 -0.277 0.000 1.315 636 W CB 0.010 29.417 29.460 -0.089 0.000 1.373 636 W HN 0.400 nan 8.180 nan 0.000 0.557 637 N N 2.114 120.752 118.700 -0.103 0.000 2.458 637 N HA -0.015 2.183 4.740 -4.236 0.000 0.270 637 N C 1.009 176.517 175.510 -0.004 0.000 1.102 637 N CA 0.202 53.186 53.050 -0.110 0.000 0.967 637 N CB 1.633 40.150 38.487 0.049 0.000 1.078 637 N HN 0.377 nan 8.380 nan 0.000 0.471 638 S N 3.230 118.905 115.700 -0.042 0.000 2.402 638 S HA -0.000 1.928 4.470 -4.236 0.000 0.229 638 S C 1.384 175.992 174.600 0.012 0.000 1.021 638 S CA 1.125 59.319 58.200 -0.010 0.000 0.974 638 S CB 0.109 63.296 63.200 -0.020 0.000 0.800 638 S HN 0.592 nan 8.310 nan 0.000 0.484 639 K N 1.107 121.523 120.400 0.026 0.000 2.365 639 K HA 0.091 1.869 4.320 -4.236 0.000 0.199 639 K C 0.805 177.431 176.600 0.044 0.000 1.045 639 K CA 0.065 56.370 56.287 0.030 0.000 0.962 639 K CB -0.051 32.475 32.500 0.044 0.000 0.759 639 K HN 0.207 nan 8.250 nan 0.000 0.469 640 S N 0.817 116.559 115.700 0.070 0.000 2.549 640 S HA 0.008 1.936 4.470 -4.236 0.000 0.279 640 S C 1.042 175.679 174.600 0.063 0.000 1.321 640 S CA -0.258 58.002 58.200 0.101 0.000 1.054 640 S CB 0.866 64.156 63.200 0.148 0.000 0.899 640 S HN 0.373 nan 8.310 nan 0.000 0.497 641 T N 2.193 116.766 114.554 0.032 0.000 3.054 641 T HA 0.259 2.067 4.350 -4.236 0.000 0.255 641 T C 0.923 175.489 174.700 -0.223 0.000 1.035 641 T CA -0.007 62.046 62.100 -0.079 0.000 0.941 641 T CB -0.279 68.493 68.868 -0.160 0.000 1.026 641 T HN 0.684 nan 8.240 nan 0.000 0.533 642 Y N 0.615 120.915 120.300 0.001 0.000 2.559 642 Y HA 0.510 2.518 4.550 -4.236 0.000 0.279 642 Y C 0.557 176.408 175.900 -0.082 0.000 1.117 642 Y CA -0.550 57.526 58.100 -0.041 0.000 1.263 642 Y CB 0.809 39.250 38.460 -0.031 0.000 1.230 642 Y HN 0.155 nan 8.280 nan 0.000 0.528 643 I N 1.648 122.275 120.570 0.095 0.000 2.410 643 I HA 0.305 1.933 4.170 -4.236 0.000 0.286 643 I C -0.635 175.550 176.117 0.112 0.000 1.009 643 I CA -0.869 60.419 61.300 -0.021 0.000 1.111 643 I CB 1.305 39.191 38.000 -0.191 0.000 1.262 643 I HN -0.000 nan 8.210 nan 0.000 0.443 644 K N 3.538 123.976 120.400 0.062 0.000 2.468 644 K HA 0.391 2.169 4.320 -4.236 0.000 0.252 644 K C -0.526 175.904 176.600 -0.283 0.000 0.932 644 K CA -0.379 55.891 56.287 -0.028 0.000 0.794 644 K CB 2.069 34.518 32.500 -0.085 0.000 1.241 644 K HN 0.513 nan 8.250 nan 0.000 0.428 645 S N 4.821 120.068 115.700 -0.754 0.000 2.546 645 S HA 0.140 2.068 4.470 -4.236 0.000 0.290 645 S C -2.114 172.097 174.600 -0.648 0.000 1.262 645 S CA -1.023 56.372 58.200 -1.342 0.000 1.083 645 S CB 0.267 62.460 63.200 -1.679 0.000 0.859 645 S HN 0.400 nan 8.310 nan 0.000 0.495 646 P HA 0.304 nan 4.420 nan 0.000 0.276 646 P C -2.378 174.548 177.300 -0.623 0.000 1.244 646 P CA -1.578 61.165 63.100 -0.595 0.000 0.801 646 P CB 0.280 31.595 31.700 -0.641 0.000 1.006 647 P HA 0.102 nan 4.420 nan 0.000 0.245 647 P C 1.325 178.421 177.300 -0.340 0.000 1.206 647 P CA 0.526 63.375 63.100 -0.419 0.000 0.781 647 P CB -0.252 31.275 31.700 -0.288 0.000 0.994 648 F N -0.438 119.307 119.950 -0.342 0.000 2.115 648 F HA -0.186 1.798 4.527 -4.239 0.000 0.300 648 F C 1.294 176.860 175.800 -0.390 0.000 1.092 648 F CA 0.884 58.582 58.000 -0.504 0.000 1.245 648 F CB -1.100 37.272 39.000 -1.047 0.000 0.995 648 F HN -0.141 nan 8.300 nan 0.000 0.481 649 F N -0.042 120.015 119.950 0.179 0.000 2.639 649 F HA 0.191 2.178 4.527 -4.233 0.000 0.300 649 F C 0.747 176.592 175.800 0.076 0.000 1.109 649 F CA -1.078 56.993 58.000 0.119 0.000 1.335 649 F CB -1.229 37.840 39.000 0.114 0.000 1.014 649 F HN -0.093 nan 8.300 nan 0.000 0.537 650 E N 1.703 121.979 120.200 0.128 0.000 2.415 650 E HA -0.054 1.754 4.350 -4.236 0.000 0.263 650 E C 0.012 176.674 176.600 0.103 0.000 0.995 650 E CA 0.136 56.584 56.400 0.080 0.000 0.915 650 E CB -0.039 29.669 29.700 0.013 0.000 0.951 650 E HN 0.491 nan 8.360 nan 0.000 0.449 651 N N 2.189 120.942 118.700 0.088 0.000 2.705 651 N HA -0.247 1.951 4.740 -4.236 0.000 0.255 651 N C -0.731 174.837 175.510 0.097 0.000 1.008 651 N CA 0.137 53.234 53.050 0.079 0.000 0.742 651 N CB -0.971 37.552 38.487 0.060 0.000 0.906 651 N HN 0.412 nan 8.380 nan 0.000 0.541 652 L N 0.783 122.076 121.223 0.116 0.000 2.292 652 L HA 0.485 2.284 4.340 -4.236 0.000 0.284 652 L C 0.751 177.666 176.870 0.075 0.000 1.065 652 L CA -0.197 54.712 54.840 0.114 0.000 0.806 652 L CB 1.006 43.156 42.059 0.152 0.000 1.175 652 L HN 0.235 nan 8.230 nan 0.000 0.431 653 T N 1.484 116.074 114.554 0.059 0.000 2.945 653 T HA 0.287 2.095 4.350 -4.236 0.000 0.286 653 T C 0.717 175.434 174.700 0.029 0.000 1.025 653 T CA -0.808 61.316 62.100 0.040 0.000 1.039 653 T CB 1.547 70.436 68.868 0.035 0.000 1.068 653 T HN 0.610 nan 8.240 nan 0.000 0.497 654 L N 0.503 121.738 121.223 0.020 0.000 2.056 654 L HA 0.215 2.013 4.340 -4.236 0.000 0.207 654 L C 0.485 177.361 176.870 0.010 0.000 1.078 654 L CA 1.689 56.535 54.840 0.009 0.000 0.749 654 L CB -0.600 41.462 42.059 0.005 0.000 0.901 654 L HN 0.688 nan 8.230 nan 0.000 0.433 655 D N -0.198 120.210 120.400 0.013 0.000 2.304 655 D HA 0.223 2.321 4.640 -4.236 0.000 0.247 655 D C -0.110 176.198 176.300 0.013 0.000 1.089 655 D CA -0.136 53.871 54.000 0.012 0.000 0.910 655 D CB 0.937 41.744 40.800 0.011 0.000 1.199 655 D HN 0.033 nan 8.370 nan 0.000 0.426 656 L N 1.769 122.998 121.223 0.011 0.000 2.349 656 L HA 0.091 1.889 4.340 -4.236 0.000 0.275 656 L C 0.211 177.077 176.870 -0.007 0.000 1.115 656 L CA -0.680 54.162 54.840 0.004 0.000 0.820 656 L CB 0.617 42.678 42.059 0.004 0.000 1.135 656 L HN 0.231 nan 8.230 nan 0.000 0.445 657 Q N 3.528 123.318 119.800 -0.018 0.000 2.296 657 Q HA 0.412 2.210 4.340 -4.236 0.000 0.257 657 Q C -2.464 173.504 176.000 -0.052 0.000 0.942 657 Q CA -2.025 53.763 55.803 -0.025 0.000 0.939 657 Q CB -0.023 28.703 28.738 -0.020 0.000 1.198 657 Q HN 0.239 nan 8.270 nan 0.000 0.429 658 P HA 0.179 nan 4.420 nan 0.000 0.271 658 P C -2.365 174.904 177.300 -0.053 0.000 1.226 658 P CA -1.009 62.065 63.100 -0.044 0.000 0.765 658 P CB -0.046 31.644 31.700 -0.017 0.000 0.835 659 P HA 0.287 nan 4.420 nan 0.000 0.280 659 P C -0.424 176.883 177.300 0.011 0.000 1.244 659 P CA -0.246 62.793 63.100 -0.102 0.000 0.784 659 P CB 0.999 32.539 31.700 -0.266 0.000 0.913 660 K N 1.092 121.511 120.400 0.032 0.000 2.098 660 K HA 0.391 2.169 4.320 -4.236 0.000 0.258 660 K C 0.366 177.019 176.600 0.088 0.000 0.973 660 K CA -0.596 55.723 56.287 0.053 0.000 0.898 660 K CB 0.868 33.390 32.500 0.037 0.000 1.057 660 K HN 0.370 nan 8.250 nan 0.000 0.447 661 S N 1.317 117.060 115.700 0.071 0.000 2.566 661 S HA 0.030 1.959 4.470 -4.236 0.000 0.280 661 S C 0.275 174.913 174.600 0.063 0.000 1.343 661 S CA -0.191 58.050 58.200 0.067 0.000 1.036 661 S CB 0.100 63.323 63.200 0.038 0.000 0.866 661 S HN 0.303 nan 8.310 nan 0.000 0.526 662 I N 2.877 123.483 120.570 0.061 0.000 2.301 662 I HA 0.206 1.835 4.170 -4.236 0.000 0.292 662 I C -0.548 175.588 176.117 0.032 0.000 1.046 662 I CA -0.305 61.026 61.300 0.052 0.000 1.282 662 I CB 0.749 38.782 38.000 0.055 0.000 1.409 662 I HN 0.186 nan 8.210 nan 0.000 0.484 663 V N 5.876 125.807 119.914 0.027 0.000 2.347 663 V HA 0.218 1.796 4.120 -4.236 0.000 0.280 663 V C -0.137 175.962 176.094 0.008 0.000 1.021 663 V CA -0.616 61.693 62.300 0.014 0.000 0.847 663 V CB 1.003 32.835 31.823 0.014 0.000 0.990 663 V HN 0.784 nan 8.190 nan 0.000 0.444 664 D N 2.773 123.167 120.400 -0.009 0.000 2.812 664 D HA -0.165 1.933 4.640 -4.236 0.000 0.237 664 D C 0.435 176.699 176.300 -0.060 0.000 1.162 664 D CA 1.197 55.169 54.000 -0.046 0.000 0.740 664 D CB -0.282 40.485 40.800 -0.055 0.000 1.000 664 D HN 0.882 nan 8.370 nan 0.000 0.416 665 A N 0.576 123.385 122.820 -0.018 0.000 2.340 665 A HA 0.486 2.264 4.320 -4.236 0.000 0.268 665 A C -0.086 177.439 177.584 -0.098 0.000 1.100 665 A CA -0.255 51.767 52.037 -0.026 0.000 0.803 665 A CB 0.573 19.566 19.000 -0.011 0.000 1.043 665 A HN 0.217 nan 8.150 nan 0.000 0.488 666 Y N 0.534 120.750 120.300 -0.140 0.000 2.335 666 Y HA 0.365 2.373 4.550 -4.237 0.000 0.323 666 Y C 0.524 176.274 175.900 -0.250 0.000 1.224 666 Y CA -0.143 57.842 58.100 -0.192 0.000 1.241 666 Y CB 1.486 39.690 38.460 -0.428 0.000 1.235 666 Y HN 0.354 nan 8.280 nan 0.000 0.492 667 V N 5.290 125.227 119.914 0.037 0.000 2.372 667 V HA -0.035 1.543 4.120 -4.236 0.000 0.261 667 V C 0.837 177.009 176.094 0.130 0.000 1.055 667 V CA -0.125 62.172 62.300 -0.005 0.000 0.930 667 V CB 0.433 32.286 31.823 0.051 0.000 1.031 667 V HN 0.745 nan 8.190 nan 0.000 0.479 668 L N 6.098 127.312 121.223 -0.015 0.000 2.056 668 L HA 0.120 1.918 4.340 -4.236 0.000 0.207 668 L C 0.500 177.451 176.870 0.135 0.000 1.078 668 L CA 2.063 56.936 54.840 0.054 0.000 0.749 668 L CB 0.116 42.166 42.059 -0.016 0.000 0.901 668 L HN 0.484 nan 8.230 nan 0.000 0.433 669 L N -0.496 120.692 121.223 -0.058 0.000 2.422 669 L HA 0.379 2.177 4.340 -4.236 0.000 0.264 669 L C -0.893 175.729 176.870 -0.414 0.000 0.984 669 L CA -0.578 54.121 54.840 -0.234 0.000 0.819 669 L CB 1.718 43.504 42.059 -0.454 0.000 1.330 669 L HN -0.127 nan 8.230 nan 0.000 0.410 670 N N 3.473 121.780 118.700 -0.655 0.000 2.626 670 N HA 0.523 2.721 4.740 -4.236 0.000 0.242 670 N C -1.376 173.902 175.510 -0.386 0.000 1.005 670 N CA -0.190 52.483 53.050 -0.628 0.000 0.905 670 N CB 0.636 38.489 38.487 -1.056 0.000 1.128 670 N HN 0.468 nan 8.380 nan 0.000 0.512 671 L N 0.668 121.732 121.223 -0.264 0.000 2.332 671 L HA 0.723 2.521 4.340 -4.236 0.000 0.269 671 L C 1.465 178.270 176.870 -0.108 0.000 1.016 671 L CA -0.974 53.770 54.840 -0.160 0.000 0.809 671 L CB 1.583 43.593 42.059 -0.082 0.000 1.280 671 L HN 0.341 nan 8.230 nan 0.000 0.447 672 G N -0.623 108.137 108.800 -0.067 0.000 2.773 672 G HA2 0.247 1.665 3.960 -4.236 0.000 0.186 672 G HA3 0.247 1.665 3.960 -4.236 0.000 0.186 672 G C -0.979 173.927 174.900 0.009 0.000 1.411 672 G CA -0.382 44.694 45.100 -0.039 0.000 1.054 672 G HN 0.498 nan 8.290 nan 0.000 0.579 673 D N 0.080 120.498 120.400 0.030 0.000 2.304 673 D HA 0.355 2.453 4.640 -4.236 0.000 0.247 673 D C 0.755 177.108 176.300 0.089 0.000 1.089 673 D CA 0.572 54.609 54.000 0.062 0.000 0.910 673 D CB 1.209 42.053 40.800 0.073 0.000 1.199 673 D HN 0.513 nan 8.370 nan 0.000 0.426 674 S N -0.883 114.865 115.700 0.080 0.000 3.317 674 S HA -0.179 1.749 4.470 -4.236 0.000 0.358 674 S C 0.279 174.911 174.600 0.054 0.000 0.945 674 S CA -0.277 57.957 58.200 0.056 0.000 1.279 674 S CB -2.020 61.209 63.200 0.049 0.000 0.905 674 S HN 0.319 nan 8.310 nan 0.000 0.507 675 V N 2.835 122.789 119.914 0.067 0.000 2.485 675 V HA 0.323 1.901 4.120 -4.236 0.000 0.287 675 V C 1.537 177.608 176.094 -0.039 0.000 1.022 675 V CA 0.410 62.754 62.300 0.073 0.000 1.067 675 V CB 0.192 32.105 31.823 0.150 0.000 0.967 675 V HN 0.893 nan 8.190 nan 0.000 0.479 676 T N 1.255 115.846 114.554 0.061 0.000 2.849 676 T HA 0.158 1.966 4.350 -4.236 0.000 0.284 676 T C 1.426 175.991 174.700 -0.225 0.000 1.004 676 T CA 0.101 62.093 62.100 -0.180 0.000 1.021 676 T CB 1.217 69.890 68.868 -0.324 0.000 1.013 676 T HN 0.822 nan 8.240 nan 0.000 0.527 677 T N -2.196 112.189 114.554 -0.282 0.000 3.007 677 T HA -0.088 1.720 4.350 -4.236 0.000 0.270 677 T C 1.392 175.980 174.700 -0.187 0.000 1.107 677 T CA 1.009 62.952 62.100 -0.261 0.000 1.118 677 T CB -0.447 68.301 68.868 -0.201 0.000 0.889 677 T HN 0.686 nan 8.240 nan 0.000 0.506 678 D N 0.797 121.073 120.400 -0.206 0.000 2.224 678 D HA -0.067 2.031 4.640 -4.236 0.000 0.205 678 D C 1.697 177.868 176.300 -0.214 0.000 0.965 678 D CA 0.800 54.677 54.000 -0.205 0.000 0.852 678 D CB -0.031 40.635 40.800 -0.223 0.000 0.947 678 D HN 0.636 nan 8.370 nan 0.000 0.494 679 H N -0.255 118.766 119.070 -0.081 0.000 2.372 679 H HA 0.060 2.074 4.556 -4.236 0.000 0.301 679 H C 2.248 177.559 175.328 -0.028 0.000 1.065 679 H CA 0.762 56.803 56.048 -0.011 0.000 1.364 679 H CB 0.318 30.103 29.762 0.038 0.000 1.406 679 H HN 0.097 nan 8.280 nan 0.000 0.521 680 I N -0.822 119.727 120.570 -0.036 0.000 2.252 680 I HA -0.136 1.492 4.170 -4.236 0.000 0.245 680 I C 0.742 176.590 176.117 -0.448 0.000 1.102 680 I CA 0.854 61.912 61.300 -0.402 0.000 1.385 680 I CB 0.247 38.025 38.000 -0.370 0.000 1.064 680 I HN 0.033 nan 8.210 nan 0.000 0.414 681 S N 1.453 116.992 115.700 -0.269 0.000 2.381 681 S HA 0.330 2.258 4.470 -4.236 0.000 0.193 681 S C -2.619 171.837 174.600 -0.239 0.000 1.287 681 S CA -1.455 56.587 58.200 -0.263 0.000 1.199 681 S CB 0.592 63.712 63.200 -0.134 0.000 1.214 681 S HN -0.146 nan 8.310 nan 0.000 0.444 682 P HA 0.231 nan 4.420 nan 0.000 0.269 682 P C 0.218 177.444 177.300 -0.123 0.000 1.209 682 P CA -0.104 62.880 63.100 -0.192 0.000 0.776 682 P CB 1.106 32.699 31.700 -0.178 0.000 0.876 683 A N 2.467 125.307 122.820 0.034 0.000 2.229 683 A HA 0.383 2.161 4.320 -4.236 0.000 0.211 683 A C 1.337 179.023 177.584 0.170 0.000 1.193 683 A CA 0.963 53.049 52.037 0.082 0.000 0.879 683 A CB -0.408 18.685 19.000 0.156 0.000 0.911 683 A HN 0.596 nan 8.150 nan 0.000 0.492 684 G N 0.106 109.023 108.800 0.195 0.000 2.882 684 G HA2 0.310 1.728 3.960 -4.236 0.000 0.164 684 G HA3 0.310 1.728 3.960 -4.236 0.000 0.164 684 G C -0.006 174.961 174.900 0.113 0.000 1.429 684 G CA -0.276 44.920 45.100 0.160 0.000 1.059 684 G HN 0.382 nan 8.290 nan 0.000 0.581 685 N N -0.271 118.466 118.700 0.062 0.000 2.138 685 N HA -0.054 2.144 4.740 -4.236 0.000 0.271 685 N C -0.080 175.400 175.510 -0.051 0.000 1.272 685 N CA 0.357 53.411 53.050 0.008 0.000 0.819 685 N CB -0.038 38.461 38.487 0.020 0.000 1.052 685 N HN 0.232 nan 8.380 nan 0.000 0.479 686 I N 2.808 123.256 120.570 -0.203 0.000 2.297 686 I HA 0.264 1.892 4.170 -4.236 0.000 0.291 686 I C 0.628 176.712 176.117 -0.056 0.000 1.033 686 I CA -0.856 60.220 61.300 -0.373 0.000 1.253 686 I CB 0.780 38.365 38.000 -0.692 0.000 1.396 686 I HN 0.581 nan 8.210 nan 0.000 0.476 687 A N 6.416 129.244 122.820 0.013 0.000 2.462 687 A HA 0.223 2.001 4.320 -4.236 0.000 0.243 687 A C 1.381 179.016 177.584 0.085 0.000 1.076 687 A CA -0.113 51.964 52.037 0.067 0.000 0.773 687 A CB 0.279 19.326 19.000 0.078 0.000 1.010 687 A HN 0.850 nan 8.150 nan 0.000 0.493 688 R N 0.937 121.514 120.500 0.128 0.000 2.103 688 R HA -0.179 1.619 4.340 -4.236 0.000 0.242 688 R C 0.552 176.909 176.300 0.095 0.000 1.142 688 R CA 1.911 58.106 56.100 0.158 0.000 0.960 688 R CB -0.319 30.047 30.300 0.110 0.000 0.858 688 R HN 0.968 nan 8.270 nan 0.000 0.439 689 N N 0.504 119.244 118.700 0.067 0.000 3.083 689 N HA 0.083 2.281 4.740 -4.236 0.000 0.260 689 N C -1.227 174.310 175.510 0.045 0.000 1.163 689 N CA -0.351 52.729 53.050 0.051 0.000 1.060 689 N CB 1.005 39.521 38.487 0.048 0.000 1.345 689 N HN 0.002 nan 8.380 nan 0.000 0.515 690 S N 0.504 116.218 115.700 0.024 0.000 2.547 690 S HA 0.423 2.351 4.470 -4.236 0.000 0.270 690 S C -2.372 172.215 174.600 -0.020 0.000 1.150 690 S CA -1.135 57.076 58.200 0.019 0.000 0.850 690 S CB 2.101 65.318 63.200 0.027 0.000 1.118 690 S HN 0.078 nan 8.310 nan 0.000 0.461 691 P HA -0.061 nan 4.420 nan 0.000 0.216 691 P C 1.593 178.795 177.300 -0.163 0.000 1.150 691 P CA 2.118 65.184 63.100 -0.057 0.000 0.837 691 P CB -0.342 31.337 31.700 -0.035 0.000 0.786 692 A N 0.574 123.279 122.820 -0.191 0.000 1.902 692 A HA -0.092 1.687 4.320 -4.236 0.000 0.217 692 A C 2.490 179.854 177.584 -0.366 0.000 1.181 692 A CA 2.293 54.171 52.037 -0.265 0.000 0.623 692 A CB -1.584 17.305 19.000 -0.185 0.000 0.818 692 A HN 0.221 nan 8.150 nan 0.000 0.443 693 A N -0.091 122.473 122.820 -0.426 0.000 1.940 693 A HA -0.201 1.577 4.320 -4.236 0.000 0.219 693 A C 2.257 179.677 177.584 -0.272 0.000 1.176 693 A CA 1.624 53.302 52.037 -0.598 0.000 0.631 693 A CB -0.460 18.364 19.000 -0.294 0.000 0.814 693 A HN 0.592 nan 8.150 nan 0.000 0.446 694 R N -2.337 118.087 120.500 -0.126 0.000 2.073 694 R HA -0.093 1.705 4.340 -4.236 0.000 0.229 694 R C 2.192 178.462 176.300 -0.049 0.000 1.120 694 R CA 1.429 57.500 56.100 -0.048 0.000 0.967 694 R CB -0.589 29.703 30.300 -0.013 0.000 0.862 694 R HN 0.698 nan 8.270 nan 0.000 0.436 695 Y N 1.956 122.142 120.300 -0.189 0.000 2.128 695 Y HA -0.228 1.780 4.550 -4.237 0.000 0.284 695 Y C 1.946 177.740 175.900 -0.177 0.000 1.154 695 Y CA 1.601 59.589 58.100 -0.188 0.000 1.149 695 Y CB -0.188 38.122 38.460 -0.251 0.000 0.976 695 Y HN -0.067 nan 8.280 nan 0.000 0.505 696 L N -1.085 120.068 121.223 -0.117 0.000 2.072 696 L HA -0.180 1.618 4.340 -4.236 0.000 0.205 696 L C 2.364 179.213 176.870 -0.035 0.000 1.079 696 L CA 1.576 56.332 54.840 -0.140 0.000 0.752 696 L CB -0.964 40.944 42.059 -0.251 0.000 0.906 696 L HN 0.164 nan 8.230 nan 0.000 0.436 697 T N -0.341 114.230 114.554 0.027 0.000 2.720 697 T HA -0.209 1.599 4.350 -4.236 0.000 0.268 697 T C 1.579 176.260 174.700 -0.032 0.000 1.037 697 T CA 1.853 63.992 62.100 0.065 0.000 1.144 697 T CB -0.513 68.404 68.868 0.081 0.000 0.864 697 T HN 0.423 nan 8.240 nan 0.000 0.444 698 N N 0.456 119.096 118.700 -0.099 0.000 2.364 698 N HA -0.047 2.152 4.740 -4.236 0.000 0.183 698 N C 1.514 176.920 175.510 -0.172 0.000 1.022 698 N CA 0.489 53.458 53.050 -0.134 0.000 0.883 698 N CB 0.030 38.417 38.487 -0.167 0.000 0.965 698 N HN 0.305 nan 8.380 nan 0.000 0.438 699 R N 0.084 120.453 120.500 -0.219 0.000 2.388 699 R HA 0.134 1.932 4.340 -4.236 0.000 0.247 699 R C 0.788 177.030 176.300 -0.095 0.000 0.931 699 R CA 0.314 56.298 56.100 -0.193 0.000 1.082 699 R CB 0.625 30.753 30.300 -0.286 0.000 1.135 699 R HN 0.197 nan 8.270 nan 0.000 0.525 700 G N 1.289 110.053 108.800 -0.059 0.000 2.157 700 G HA2 -0.256 1.162 3.960 -4.236 0.000 0.248 700 G HA3 -0.256 1.162 3.960 -4.236 0.000 0.248 700 G C 0.126 175.024 174.900 -0.002 0.000 0.979 700 G CA -0.258 44.826 45.100 -0.026 0.000 0.650 700 G HN 0.192 nan 8.290 nan 0.000 0.529 701 L N 1.728 122.968 121.223 0.028 0.000 2.375 701 L HA 0.584 2.383 4.340 -4.236 0.000 0.271 701 L C 1.299 178.192 176.870 0.040 0.000 1.107 701 L CA -0.057 54.819 54.840 0.060 0.000 0.806 701 L CB 1.211 43.356 42.059 0.143 0.000 1.146 701 L HN 0.362 nan 8.230 nan 0.000 0.447 702 T N -1.369 113.121 114.554 -0.107 0.000 2.928 702 T HA 0.324 2.132 4.350 -4.236 0.000 0.284 702 T C -1.998 172.252 174.700 -0.750 0.000 1.008 702 T CA -2.032 59.901 62.100 -0.278 0.000 1.057 702 T CB 1.709 70.466 68.868 -0.184 0.000 1.018 702 T HN 0.291 nan 8.240 nan 0.000 0.493 703 P HA -0.217 nan 4.420 nan 0.000 0.218 703 P C 1.494 178.288 177.300 -0.843 0.000 1.152 703 P CA 1.382 63.542 63.100 -1.568 0.000 0.857 703 P CB -0.057 31.235 31.700 -0.679 0.000 0.787 704 R N 0.032 120.269 120.500 -0.438 0.000 2.328 704 R HA -0.036 1.762 4.340 -4.236 0.000 0.207 704 R C 1.407 177.619 176.300 -0.147 0.000 1.056 704 R CA 1.315 57.282 56.100 -0.221 0.000 1.016 704 R CB -0.691 29.528 30.300 -0.136 0.000 0.872 704 R HN 0.224 nan 8.270 nan 0.000 0.471 705 E N -0.245 119.842 120.200 -0.189 0.000 2.460 705 E HA 0.053 1.861 4.350 -4.236 0.000 0.200 705 E C 0.799 177.451 176.600 0.087 0.000 1.011 705 E CA -0.226 56.155 56.400 -0.030 0.000 0.912 705 E CB 0.112 29.805 29.700 -0.012 0.000 0.953 705 E HN 0.186 nan 8.360 nan 0.000 0.494 706 F N 1.749 121.658 119.950 -0.068 0.000 2.115 706 F HA -0.215 1.770 4.527 -4.237 0.000 0.300 706 F C 1.465 177.193 175.800 -0.120 0.000 1.092 706 F CA 1.130 59.055 58.000 -0.124 0.000 1.245 706 F CB -0.956 37.952 39.000 -0.154 0.000 0.995 706 F HN 0.039 nan 8.300 nan 0.000 0.481 707 N N -0.815 117.966 118.700 0.134 0.000 6.832 707 N HA -0.220 1.978 4.740 -4.236 0.000 0.417 707 N C -0.033 175.489 175.510 0.019 0.000 0.938 707 N CA 0.862 53.971 53.050 0.099 0.000 1.317 707 N CB -0.756 37.843 38.487 0.187 0.000 0.820 707 N HN 0.277 nan 8.380 nan 0.000 0.305 708 S N -0.875 114.844 115.700 0.032 0.000 2.652 708 S HA 0.434 2.362 4.470 -4.236 0.000 0.270 708 S C 1.340 175.858 174.600 -0.137 0.000 1.243 708 S CA -0.225 57.960 58.200 -0.025 0.000 0.999 708 S CB 0.694 63.963 63.200 0.114 0.000 0.973 708 S HN 0.498 nan 8.310 nan 0.000 0.544 709 Y N 1.110 121.326 120.300 -0.141 0.000 2.224 709 Y HA -0.020 1.988 4.550 -4.237 0.000 0.289 709 Y C 2.714 178.385 175.900 -0.382 0.000 1.146 709 Y CA 1.244 59.192 58.100 -0.253 0.000 1.182 709 Y CB -0.818 37.501 38.460 -0.235 0.000 0.983 709 Y HN 0.925 nan 8.280 nan 0.000 0.524 710 G N -0.250 108.335 108.800 -0.358 0.000 2.491 710 G HA2 -0.368 1.050 3.960 -4.236 0.000 0.218 710 G HA3 -0.368 1.050 3.960 -4.236 0.000 0.218 710 G C 1.826 176.216 174.900 -0.850 0.000 1.180 710 G CA 1.484 45.903 45.100 -1.135 0.000 0.774 710 G HN 0.478 nan 8.290 nan 0.000 0.562 711 S N -0.002 115.478 115.700 -0.367 0.000 2.469 711 S HA 0.031 1.959 4.470 -4.236 0.000 0.238 711 S C 1.878 176.534 174.600 0.093 0.000 0.998 711 S CA 0.647 58.858 58.200 0.019 0.000 0.957 711 S CB -0.052 63.270 63.200 0.204 0.000 0.764 711 S HN 0.285 nan 8.310 nan 0.000 0.514 712 R N 0.644 121.107 120.500 -0.062 0.000 2.427 712 R HA 0.323 2.121 4.340 -4.236 0.000 0.262 712 R C 1.336 177.521 176.300 -0.193 0.000 0.943 712 R CA -0.148 55.888 56.100 -0.107 0.000 1.081 712 R CB -0.269 29.891 30.300 -0.233 0.000 1.166 712 R HN 0.467 nan 8.270 nan 0.000 0.534 713 R N -0.009 120.385 120.500 -0.177 0.000 2.285 713 R HA -0.038 1.760 4.340 -4.236 0.000 0.213 713 R C 1.668 178.019 176.300 0.084 0.000 1.068 713 R CA 1.104 57.096 56.100 -0.179 0.000 1.004 713 R CB -0.045 30.237 30.300 -0.030 0.000 0.873 713 R HN 0.170 nan 8.270 nan 0.000 0.467 714 G N 0.144 108.974 108.800 0.050 0.000 2.920 714 G HA2 -0.130 1.288 3.960 -4.236 0.000 0.208 714 G HA3 -0.130 1.288 3.960 -4.236 0.000 0.208 714 G C 0.175 175.075 174.900 0.000 0.000 1.159 714 G CA -0.164 44.966 45.100 0.050 0.000 0.784 714 G HN 0.102 nan 8.290 nan 0.000 0.535 715 N N 0.898 119.549 118.700 -0.082 0.000 2.623 715 N HA 0.130 2.328 4.740 -4.236 0.000 0.256 715 N C 0.753 176.109 175.510 -0.257 0.000 1.045 715 N CA -0.391 52.567 53.050 -0.153 0.000 0.863 715 N CB 1.373 39.747 38.487 -0.189 0.000 1.182 715 N HN 0.191 nan 8.380 nan 0.000 0.523 716 D N 2.181 122.499 120.400 -0.136 0.000 2.221 716 D HA -0.155 1.943 4.640 -4.236 0.000 0.204 716 D C 1.467 177.611 176.300 -0.259 0.000 0.982 716 D CA 1.277 55.230 54.000 -0.078 0.000 0.857 716 D CB 0.182 41.022 40.800 0.066 0.000 0.934 716 D HN 0.390 nan 8.370 nan 0.000 0.475 717 A N 0.569 123.171 122.820 -0.363 0.000 1.898 717 A HA -0.056 1.722 4.320 -4.236 0.000 0.216 717 A C 2.461 179.577 177.584 -0.781 0.000 1.181 717 A CA 1.439 53.153 52.037 -0.539 0.000 0.620 717 A CB -0.879 17.730 19.000 -0.652 0.000 0.819 717 A HN 0.218 nan 8.150 nan 0.000 0.442 718 V N -0.021 119.406 119.914 -0.813 0.000 2.261 718 V HA -0.273 1.305 4.120 -4.236 0.000 0.246 718 V C 2.670 178.462 176.094 -0.504 0.000 1.047 718 V CA 2.019 63.922 62.300 -0.661 0.000 1.015 718 V CB -0.678 30.845 31.823 -0.501 0.000 0.642 718 V HN 0.485 nan 8.190 nan 0.000 0.446 719 M N -0.013 119.217 119.600 -0.617 0.000 2.159 719 M HA -0.105 1.833 4.480 -4.236 0.000 0.263 719 M C 2.343 178.338 176.300 -0.509 0.000 1.063 719 M CA 2.055 56.876 55.300 -0.799 0.000 1.110 719 M CB -1.657 29.856 32.600 -1.811 0.000 1.374 719 M HN 0.408 nan 8.290 nan 0.000 0.411 720 A N 0.059 122.683 122.820 -0.327 0.000 1.898 720 A HA -0.147 1.631 4.320 -4.236 0.000 0.216 720 A C 2.351 179.866 177.584 -0.115 0.000 1.181 720 A CA 1.435 53.442 52.037 -0.050 0.000 0.620 720 A CB -0.556 18.505 19.000 0.102 0.000 0.819 720 A HN 0.455 nan 8.150 nan 0.000 0.442 721 R N -0.873 119.335 120.500 -0.488 0.000 2.189 721 R HA -0.059 1.740 4.340 -4.236 0.000 0.223 721 R C 1.921 178.090 176.300 -0.218 0.000 1.092 721 R CA 0.897 56.639 56.100 -0.597 0.000 0.989 721 R CB -0.305 29.522 30.300 -0.789 0.000 0.876 721 R HN 0.503 nan 8.270 nan 0.000 0.457 722 G N -0.245 108.397 108.800 -0.262 0.000 3.042 722 G HA2 -0.036 1.382 3.960 -4.236 0.000 0.212 722 G HA3 -0.036 1.382 3.960 -4.236 0.000 0.212 722 G C 0.073 174.724 174.900 -0.415 0.000 1.166 722 G CA -0.190 44.632 45.100 -0.464 0.000 0.767 722 G HN 0.091 nan 8.290 nan 0.000 0.546 723 T N 1.497 115.928 114.554 -0.205 0.000 2.834 723 T HA 0.235 2.043 4.350 -4.236 0.000 0.298 723 T C 0.307 174.997 174.700 -0.017 0.000 0.966 723 T CA -0.027 61.962 62.100 -0.185 0.000 1.141 723 T CB 0.120 68.953 68.868 -0.059 0.000 0.905 723 T HN 0.300 nan 8.240 nan 0.000 0.535 724 F N 0.183 120.142 119.950 0.014 0.000 3.100 724 F HA -0.278 1.708 4.527 -4.235 0.000 0.284 724 F C 1.510 177.330 175.800 0.033 0.000 0.875 724 F CA 0.409 58.437 58.000 0.046 0.000 1.039 724 F CB -2.138 36.913 39.000 0.085 0.000 1.111 724 F HN 0.693 nan 8.300 nan 0.000 0.575 725 A N -0.826 122.038 122.820 0.073 0.000 2.337 725 A HA 0.093 1.871 4.320 -4.236 0.000 0.227 725 A C 1.133 178.764 177.584 0.079 0.000 1.259 725 A CA 0.034 52.109 52.037 0.063 0.000 0.870 725 A CB -0.184 18.811 19.000 -0.009 0.000 0.927 725 A HN 0.342 nan 8.150 nan 0.000 0.497 726 N N 1.387 120.146 118.700 0.099 0.000 2.468 726 N HA 0.053 2.251 4.740 -4.236 0.000 0.265 726 N C 1.198 176.803 175.510 0.159 0.000 1.199 726 N CA 0.082 53.211 53.050 0.132 0.000 0.928 726 N CB 0.581 39.181 38.487 0.189 0.000 1.059 726 N HN 0.506 nan 8.380 nan 0.000 0.467 727 I N 1.224 121.876 120.570 0.137 0.000 2.916 727 I HA -0.069 1.560 4.170 -4.236 0.000 0.267 727 I C 1.195 177.389 176.117 0.127 0.000 1.263 727 I CA 1.001 62.374 61.300 0.121 0.000 1.471 727 I CB 0.040 38.101 38.000 0.102 0.000 1.089 727 I HN 0.325 nan 8.210 nan 0.000 0.468 728 R N 0.558 121.161 120.500 0.173 0.000 2.432 728 R HA 0.357 2.155 4.340 -4.236 0.000 0.260 728 R C 0.234 176.615 176.300 0.136 0.000 0.935 728 R CA -0.598 55.609 56.100 0.178 0.000 1.080 728 R CB 0.417 30.862 30.300 0.242 0.000 1.155 728 R HN 0.270 nan 8.270 nan 0.000 0.531 729 L N 1.769 123.073 121.223 0.134 0.000 2.559 729 L HA 0.030 1.828 4.340 -4.236 0.000 0.274 729 L C -0.418 176.427 176.870 -0.042 0.000 1.205 729 L CA 0.504 55.348 54.840 0.007 0.000 0.907 729 L CB 0.450 42.577 42.059 0.114 0.000 1.153 729 L HN 0.037 nan 8.230 nan 0.000 0.490 730 L N 6.131 127.279 121.223 -0.125 0.000 2.353 730 L HA 0.375 2.173 4.340 -4.236 0.000 0.269 730 L C -0.263 176.554 176.870 -0.089 0.000 1.085 730 L CA -0.052 54.738 54.840 -0.084 0.000 0.938 730 L CB 0.064 42.068 42.059 -0.091 0.000 1.312 730 L HN 0.684 nan 8.230 nan 0.000 0.429 731 N N 2.521 121.184 118.700 -0.061 0.000 2.430 731 N HA 0.131 2.330 4.740 -4.236 0.000 0.265 731 N C 0.724 176.189 175.510 -0.074 0.000 1.100 731 N CA 0.056 53.055 53.050 -0.085 0.000 0.961 731 N CB 0.855 39.330 38.487 -0.020 0.000 1.075 731 N HN 0.445 nan 8.380 nan 0.000 0.478 732 R N 2.653 123.054 120.500 -0.165 0.000 2.323 732 R HA 0.063 1.861 4.340 -4.236 0.000 0.198 732 R C 0.565 176.836 176.300 -0.049 0.000 0.988 732 R CA 0.377 56.402 56.100 -0.125 0.000 1.041 732 R CB -0.007 30.195 30.300 -0.163 0.000 0.926 732 R HN 0.485 nan 8.270 nan 0.000 0.476 733 F N 0.063 120.000 119.950 -0.022 0.000 2.367 733 F HA 0.022 2.007 4.527 -4.237 0.000 0.298 733 F C 1.707 177.504 175.800 -0.004 0.000 1.094 733 F CA 0.836 58.831 58.000 -0.009 0.000 1.409 733 F CB 0.091 39.087 39.000 -0.006 0.000 1.064 733 F HN -0.042 nan 8.300 nan 0.000 0.528 734 L N -1.551 119.780 121.223 0.179 0.000 2.609 734 L HA 0.127 1.925 4.340 -4.236 0.000 0.230 734 L C 0.560 177.466 176.870 0.061 0.000 1.064 734 L CA 0.153 55.055 54.840 0.103 0.000 0.873 734 L CB -0.089 42.022 42.059 0.087 0.000 1.139 734 L HN -0.008 nan 8.230 nan 0.000 0.490 735 N N 1.461 120.186 118.700 0.042 0.000 2.741 735 N HA -0.190 2.008 4.740 -4.236 0.000 0.250 735 N C -0.231 175.285 175.510 0.012 0.000 1.115 735 N CA 1.349 54.409 53.050 0.016 0.000 0.724 735 N CB -0.855 37.643 38.487 0.019 0.000 1.090 735 N HN 0.575 nan 8.380 nan 0.000 0.558 736 K N -0.751 119.659 120.400 0.017 0.000 2.509 736 K HA 0.347 2.125 4.320 -4.236 0.000 0.266 736 K C -0.808 175.804 176.600 0.019 0.000 0.987 736 K CA -0.782 55.515 56.287 0.017 0.000 0.868 736 K CB 1.370 33.885 32.500 0.025 0.000 1.421 736 K HN -0.104 nan 8.250 nan 0.000 0.444 737 Q N 0.466 120.281 119.800 0.024 0.000 2.281 737 Q HA 0.405 2.203 4.340 -4.236 0.000 0.267 737 Q C -0.877 175.153 176.000 0.050 0.000 1.053 737 Q CA -0.076 55.748 55.803 0.036 0.000 0.905 737 Q CB 1.100 29.866 28.738 0.047 0.000 1.195 737 Q HN 0.613 nan 8.270 nan 0.000 0.398 738 A N 4.414 127.268 122.820 0.056 0.000 2.565 738 A HA 0.391 2.170 4.320 -4.236 0.000 0.298 738 A C -2.629 175.003 177.584 0.080 0.000 1.062 738 A CA -1.131 50.946 52.037 0.067 0.000 0.723 738 A CB 1.261 20.296 19.000 0.058 0.000 1.282 738 A HN 0.469 nan 8.150 nan 0.000 0.400 739 P HA 0.200 nan 4.420 nan 0.000 0.220 739 P C -0.456 176.914 177.300 0.116 0.000 1.778 739 P CA 0.555 63.727 63.100 0.120 0.000 0.912 739 P CB -0.184 31.590 31.700 0.124 0.000 1.861 740 Q N -0.941 118.917 119.800 0.097 0.000 2.544 740 Q HA 0.671 2.469 4.340 -4.236 0.000 0.291 740 Q C -0.505 175.552 176.000 0.095 0.000 1.068 740 Q CA -0.663 55.195 55.803 0.092 0.000 0.785 740 Q CB 2.577 31.360 28.738 0.075 0.000 1.481 740 Q HN -0.012 nan 8.270 nan 0.000 0.430 741 T N -0.644 113.970 114.554 0.099 0.000 2.681 741 T HA 0.650 2.458 4.350 -4.236 0.000 0.296 741 T C -1.629 173.115 174.700 0.074 0.000 1.157 741 T CA -0.522 61.656 62.100 0.129 0.000 1.025 741 T CB 1.010 69.981 68.868 0.173 0.000 1.441 741 T HN 0.435 nan 8.240 nan 0.000 0.504 742 I N 2.367 122.951 120.570 0.023 0.000 2.359 742 I HA 0.335 1.964 4.170 -4.236 0.000 0.294 742 I C -0.382 175.697 176.117 -0.063 0.000 0.987 742 I CA -0.821 60.435 61.300 -0.075 0.000 1.225 742 I CB 1.305 39.176 38.000 -0.215 0.000 1.366 742 I HN 0.667 nan 8.210 nan 0.000 0.466 743 H N 6.398 125.356 119.070 -0.188 0.000 3.004 743 H HA 0.243 2.257 4.556 -4.237 0.000 0.267 743 H C 0.447 175.591 175.328 -0.307 0.000 1.165 743 H CA 0.021 55.852 56.048 -0.361 0.000 1.450 743 H CB 0.686 30.184 29.762 -0.439 0.000 1.488 743 H HN 0.602 nan 8.280 nan 0.000 0.478 744 L N 5.822 126.708 121.223 -0.562 0.000 2.046 744 L HA -0.053 1.745 4.340 -4.236 0.000 0.208 744 L C -0.392 176.232 176.870 -0.410 0.000 1.077 744 L CA 0.700 55.311 54.840 -0.382 0.000 0.747 744 L CB -1.061 40.914 42.059 -0.140 0.000 0.896 744 L HN 0.588 nan 8.230 nan 0.000 0.432 745 P HA -0.164 nan 4.420 nan 0.000 0.216 745 P C 1.698 178.851 177.300 -0.246 0.000 1.150 745 P CA 1.787 64.656 63.100 -0.384 0.000 0.837 745 P CB 0.030 31.464 31.700 -0.443 0.000 0.786 746 S N -2.789 112.749 115.700 -0.269 0.000 2.483 746 S HA 0.299 2.227 4.470 -4.236 0.000 0.221 746 S C 1.785 176.347 174.600 -0.063 0.000 1.030 746 S CA 0.706 58.873 58.200 -0.054 0.000 0.925 746 S CB -0.654 62.613 63.200 0.111 0.000 0.795 746 S HN 0.276 nan 8.310 nan 0.000 0.511 747 G N 1.028 109.762 108.800 -0.110 0.000 2.195 747 G HA2 -0.232 1.186 3.960 -4.236 0.000 0.246 747 G HA3 -0.232 1.186 3.960 -4.236 0.000 0.246 747 G C -0.245 174.622 174.900 -0.055 0.000 0.984 747 G CA 0.124 45.172 45.100 -0.087 0.000 0.633 747 G HN 0.616 nan 8.290 nan 0.000 0.525 748 E N 0.992 121.176 120.200 -0.027 0.000 2.360 748 E HA 0.373 2.181 4.350 -4.236 0.000 0.269 748 E C 0.672 177.263 176.600 -0.016 0.000 1.022 748 E CA -0.496 55.894 56.400 -0.018 0.000 0.887 748 E CB 0.927 30.616 29.700 -0.019 0.000 0.990 748 E HN 0.263 nan 8.360 nan 0.000 0.426 749 I N 4.129 124.692 120.570 -0.011 0.000 2.441 749 I HA 0.225 1.853 4.170 -4.236 0.000 0.287 749 I C 0.172 176.293 176.117 0.007 0.000 1.049 749 I CA 0.135 61.437 61.300 0.003 0.000 1.381 749 I CB -0.419 37.589 38.000 0.013 0.000 1.409 749 I HN 0.426 nan 8.210 nan 0.000 0.523 750 L N 4.183 125.417 121.223 0.018 0.000 2.415 750 L HA 0.422 2.220 4.340 -4.236 0.000 0.256 750 L C -0.434 176.467 176.870 0.052 0.000 1.010 750 L CA -1.076 53.775 54.840 0.018 0.000 0.826 750 L CB 2.209 44.257 42.059 -0.019 0.000 1.405 750 L HN 0.392 nan 8.230 nan 0.000 0.410 751 D N 0.632 121.073 120.400 0.068 0.000 2.472 751 D HA 0.021 2.119 4.640 -4.236 0.000 0.237 751 D C 1.159 177.537 176.300 0.130 0.000 1.141 751 D CA 0.015 54.079 54.000 0.107 0.000 0.875 751 D CB 1.683 42.557 40.800 0.123 0.000 1.192 751 D HN 0.197 nan 8.370 nan 0.000 0.450 752 V N 2.512 122.523 119.914 0.163 0.000 2.282 752 V HA -0.305 1.273 4.120 -4.236 0.000 0.249 752 V C 2.102 178.318 176.094 0.204 0.000 1.057 752 V CA 1.555 63.967 62.300 0.187 0.000 1.032 752 V CB -0.657 31.311 31.823 0.242 0.000 0.645 752 V HN 0.567 nan 8.190 nan 0.000 0.447 753 F N 1.734 121.744 119.950 0.099 0.000 2.091 753 F HA -0.255 1.730 4.527 -4.237 0.000 0.299 753 F C 2.249 178.075 175.800 0.043 0.000 1.103 753 F CA 2.303 60.343 58.000 0.068 0.000 1.228 753 F CB -0.468 38.550 39.000 0.029 0.000 0.984 753 F HN 0.244 nan 8.300 nan 0.000 0.477 754 D N 0.416 120.831 120.400 0.025 0.000 2.144 754 D HA -0.132 1.966 4.640 -4.236 0.000 0.200 754 D C 2.398 178.583 176.300 -0.192 0.000 0.978 754 D CA 1.418 55.354 54.000 -0.106 0.000 0.833 754 D CB -0.717 40.097 40.800 0.025 0.000 0.961 754 D HN 0.422 nan 8.370 nan 0.000 0.470 755 A N 1.323 124.083 122.820 -0.101 0.000 1.898 755 A HA -0.024 1.754 4.320 -4.236 0.000 0.216 755 A C 2.360 179.904 177.584 -0.066 0.000 1.181 755 A CA 2.104 54.072 52.037 -0.115 0.000 0.620 755 A CB -0.700 18.323 19.000 0.037 0.000 0.819 755 A HN 0.229 nan 8.150 nan 0.000 0.442 756 A N -0.216 122.610 122.820 0.011 0.000 1.883 756 A HA -0.212 1.566 4.320 -4.236 0.000 0.217 756 A C 1.952 179.478 177.584 -0.098 0.000 1.186 756 A CA 1.704 53.775 52.037 0.056 0.000 0.624 756 A CB -0.599 18.402 19.000 0.001 0.000 0.822 756 A HN 0.609 nan 8.150 nan 0.000 0.444 757 E N -0.626 119.367 120.200 -0.346 0.000 2.085 757 E HA -0.215 1.594 4.350 -4.236 0.000 0.194 757 E C 2.356 178.817 176.600 -0.233 0.000 0.994 757 E CA 1.016 57.207 56.400 -0.349 0.000 0.801 757 E CB -0.221 29.175 29.700 -0.506 0.000 0.743 757 E HN 0.434 nan 8.360 nan 0.000 0.453 758 R N 0.114 120.429 120.500 -0.309 0.000 2.080 758 R HA -0.163 1.635 4.340 -4.236 0.000 0.236 758 R C 2.296 178.455 176.300 -0.234 0.000 1.137 758 R CA 1.290 57.144 56.100 -0.410 0.000 0.943 758 R CB -0.856 28.904 30.300 -0.901 0.000 0.846 758 R HN 0.300 nan 8.270 nan 0.000 0.431 759 Y N 1.675 121.919 120.300 -0.093 0.000 2.081 759 Y HA -0.248 1.760 4.550 -4.237 0.000 0.280 759 Y C 2.741 178.624 175.900 -0.029 0.000 1.163 759 Y CA 1.541 59.633 58.100 -0.013 0.000 1.135 759 Y CB -0.718 37.741 38.460 -0.002 0.000 0.970 759 Y HN 0.185 nan 8.280 nan 0.000 0.498 760 Q N -0.300 119.566 119.800 0.110 0.000 2.096 760 Q HA -0.287 1.511 4.340 -4.236 0.000 0.204 760 Q C 2.229 178.233 176.000 0.006 0.000 0.982 760 Q CA 1.901 57.722 55.803 0.030 0.000 0.850 760 Q CB -0.333 28.387 28.738 -0.031 0.000 0.901 760 Q HN 0.617 nan 8.270 nan 0.000 0.422 761 Q N -0.536 119.248 119.800 -0.027 0.000 2.226 761 Q HA -0.089 1.709 4.340 -4.236 0.000 0.204 761 Q C 1.609 177.605 176.000 -0.008 0.000 0.975 761 Q CA 1.115 56.899 55.803 -0.032 0.000 0.866 761 Q CB 0.012 28.711 28.738 -0.065 0.000 0.915 761 Q HN 0.328 nan 8.270 nan 0.000 0.440 762 A N -0.261 122.568 122.820 0.015 0.000 2.251 762 A HA 0.309 2.087 4.320 -4.236 0.000 0.209 762 A C 1.347 178.970 177.584 0.066 0.000 1.187 762 A CA 0.645 52.707 52.037 0.042 0.000 0.823 762 A CB -0.173 18.864 19.000 0.062 0.000 0.846 762 A HN 0.415 nan 8.150 nan 0.000 0.486 763 G N -0.723 108.113 108.800 0.060 0.000 2.176 763 G HA2 -0.213 1.206 3.960 -4.236 0.000 0.252 763 G HA3 -0.213 1.206 3.960 -4.236 0.000 0.252 763 G C -0.052 174.899 174.900 0.085 0.000 1.024 763 G CA 0.329 45.464 45.100 0.058 0.000 0.755 763 G HN 0.478 nan 8.290 nan 0.000 0.507 764 L N 0.932 122.234 121.223 0.131 0.000 2.276 764 L HA 0.417 2.215 4.340 -4.236 0.000 0.286 764 L C -1.631 175.300 176.870 0.101 0.000 1.061 764 L CA -2.201 52.741 54.840 0.169 0.000 0.807 764 L CB 1.048 43.299 42.059 0.320 0.000 1.177 764 L HN -0.086 nan 8.230 nan 0.000 0.429 765 P HA 0.286 nan 4.420 nan 0.000 0.272 765 P C -0.885 176.400 177.300 -0.025 0.000 1.230 765 P CA -0.168 62.945 63.100 0.021 0.000 0.788 765 P CB 0.748 32.464 31.700 0.027 0.000 0.949 766 L N 1.671 122.865 121.223 -0.049 0.000 2.388 766 L HA 0.646 2.445 4.340 -4.236 0.000 0.264 766 L C 0.192 177.020 176.870 -0.070 0.000 0.998 766 L CA -1.019 53.760 54.840 -0.103 0.000 0.817 766 L CB 1.768 43.752 42.059 -0.125 0.000 1.338 766 L HN 0.364 nan 8.230 nan 0.000 0.414 767 I N -0.790 119.710 120.570 -0.117 0.000 3.002 767 I HA 0.791 2.419 4.170 -4.236 0.000 0.310 767 I C -1.180 174.850 176.117 -0.145 0.000 1.087 767 I CA -0.984 60.241 61.300 -0.125 0.000 1.017 767 I CB 2.374 40.255 38.000 -0.198 0.000 1.226 767 I HN 0.191 nan 8.210 nan 0.000 0.443 768 V N 4.077 123.908 119.914 -0.138 0.000 2.555 768 V HA 0.483 2.061 4.120 -4.236 0.000 0.302 768 V C -0.084 175.857 176.094 -0.255 0.000 1.038 768 V CA -0.574 61.615 62.300 -0.185 0.000 0.887 768 V CB 1.717 33.474 31.823 -0.110 0.000 0.991 768 V HN 0.521 nan 8.190 nan 0.000 0.434 769 L N 4.150 125.207 121.223 -0.277 0.000 2.309 769 L HA 0.924 2.722 4.340 -4.236 0.000 0.282 769 L C 0.159 176.868 176.870 -0.270 0.000 1.036 769 L CA -0.258 54.433 54.840 -0.248 0.000 0.806 769 L CB 1.649 43.594 42.059 -0.190 0.000 1.220 769 L HN 0.797 nan 8.230 nan 0.000 0.429 770 A N 1.683 124.349 122.820 -0.258 0.000 2.593 770 A HA 0.829 2.607 4.320 -4.236 0.000 0.290 770 A C -0.222 177.303 177.584 -0.099 0.000 1.126 770 A CA 0.009 51.904 52.037 -0.235 0.000 0.695 770 A CB 1.342 20.044 19.000 -0.497 0.000 1.290 770 A HN 0.731 nan 8.150 nan 0.000 0.414 771 G N -0.238 108.536 108.800 -0.042 0.000 2.829 771 G HA2 0.458 1.876 3.960 -4.236 0.000 0.173 771 G HA3 0.458 1.876 3.960 -4.236 0.000 0.173 771 G C -0.026 174.874 174.900 -0.000 0.000 1.476 771 G CA -0.556 44.542 45.100 -0.004 0.000 1.072 771 G HN 0.772 nan 8.290 nan 0.000 0.577 772 K N 0.452 120.862 120.400 0.016 0.000 2.219 772 K HA 0.199 1.977 4.320 -4.236 0.000 0.258 772 K C -0.043 176.577 176.600 0.034 0.000 1.008 772 K CA 0.169 56.468 56.287 0.020 0.000 0.928 772 K CB 0.527 33.044 32.500 0.028 0.000 0.983 772 K HN 0.592 nan 8.250 nan 0.000 0.484 773 E N 0.351 120.569 120.200 0.030 0.000 2.328 773 E HA -0.306 1.502 4.350 -4.236 0.000 0.233 773 E C -0.978 175.647 176.600 0.041 0.000 1.219 773 E CA 0.459 56.882 56.400 0.039 0.000 0.717 773 E CB -1.495 28.226 29.700 0.034 0.000 1.210 773 E HN 0.416 nan 8.360 nan 0.000 0.381 774 Y N 0.725 120.958 120.300 -0.111 0.000 2.632 774 Y HA 0.182 2.191 4.550 -4.236 0.000 0.329 774 Y C 1.405 177.288 175.900 -0.028 0.000 1.174 774 Y CA 1.452 59.489 58.100 -0.106 0.000 1.469 774 Y CB 0.688 39.009 38.460 -0.232 0.000 1.242 774 Y HN 0.268 nan 8.280 nan 0.000 0.540 775 G N 3.739 112.091 108.800 -0.746 0.000 2.165 775 G HA2 -0.121 1.297 3.960 -4.236 0.000 0.226 775 G HA3 -0.121 1.297 3.960 -4.236 0.000 0.226 775 G C -0.053 174.636 174.900 -0.353 0.000 1.035 775 G CA -0.242 44.366 45.100 -0.821 0.000 0.744 775 G HN 1.137 nan 8.290 nan 0.000 0.501 776 A N -0.655 122.015 122.820 -0.251 0.000 2.386 776 A HA 0.977 2.755 4.320 -4.236 0.000 0.248 776 A C 1.652 179.122 177.584 -0.189 0.000 1.082 776 A CA 1.778 53.719 52.037 -0.160 0.000 0.789 776 A CB 0.624 19.547 19.000 -0.128 0.000 1.025 776 A HN 2.554 nan 8.150 nan 0.000 0.490 777 G N -0.261 108.461 108.800 -0.130 0.000 2.513 777 G HA2 0.098 1.516 3.960 -4.236 0.000 0.227 777 G HA3 0.098 1.516 3.960 -4.236 0.000 0.227 777 G C 0.654 175.508 174.900 -0.076 0.000 1.176 777 G CA 0.550 45.583 45.100 -0.113 0.000 0.967 777 G HN 2.249 nan 8.290 nan 0.000 0.587 778 S N 0.033 115.707 115.700 -0.043 0.000 2.537 778 S HA 0.311 2.239 4.470 -4.236 0.000 0.280 778 S C 1.929 176.535 174.600 0.009 0.000 1.335 778 S CA 1.389 59.594 58.200 0.007 0.000 1.025 778 S CB 0.630 63.864 63.200 0.057 0.000 0.836 778 S HN 2.293 nan 8.310 nan 0.000 0.523 779 S N 3.077 118.804 115.700 0.045 0.000 2.558 779 S HA 0.057 1.985 4.470 -4.236 0.000 0.217 779 S C 0.697 175.339 174.600 0.069 0.000 0.975 779 S CA -0.298 57.938 58.200 0.059 0.000 0.912 779 S CB -0.421 62.823 63.200 0.074 0.000 0.776 779 S HN 0.909 nan 8.310 nan 0.000 0.526 780 R N 2.055 122.602 120.500 0.078 0.000 2.481 780 R HA -0.041 1.757 4.340 -4.236 0.000 0.291 780 R C -0.134 176.212 176.300 0.077 0.000 0.934 780 R CA 0.845 57.003 56.100 0.097 0.000 1.116 780 R CB -0.177 30.193 30.300 0.117 0.000 0.895 780 R HN 0.341 nan 8.270 nan 0.000 0.410 781 D N 3.036 123.446 120.400 0.017 0.000 2.349 781 D HA -0.097 2.001 4.640 -4.236 0.000 0.215 781 D C 0.846 177.051 176.300 -0.158 0.000 1.016 781 D CA 0.146 54.091 54.000 -0.092 0.000 0.870 781 D CB -0.230 40.454 40.800 -0.195 0.000 0.917 781 D HN 0.724 nan 8.370 nan 0.000 0.524 782 W N 1.254 122.536 121.300 -0.031 0.000 2.525 782 W HA 0.172 2.290 4.660 -4.237 0.000 0.259 782 W C 2.305 178.795 176.519 -0.048 0.000 1.253 782 W CA 0.909 58.233 57.345 -0.036 0.000 1.262 782 W CB 0.135 29.559 29.460 -0.060 0.000 1.122 782 W HN 0.078 nan 8.180 nan 0.000 0.607 783 A N -0.365 122.554 122.820 0.164 0.000 2.168 783 A HA 0.170 1.948 4.320 -4.236 0.000 0.215 783 A C 1.881 179.602 177.584 0.227 0.000 1.152 783 A CA 1.669 53.776 52.037 0.118 0.000 0.716 783 A CB -0.555 18.486 19.000 0.069 0.000 0.794 783 A HN 0.179 nan 8.150 nan 0.000 0.465 784 A N -0.675 122.213 122.820 0.113 0.000 2.026 784 A HA 0.238 2.016 4.320 -4.236 0.000 0.201 784 A C 1.885 179.481 177.584 0.019 0.000 1.318 784 A CA 0.742 52.802 52.037 0.039 0.000 0.857 784 A CB 0.014 18.950 19.000 -0.107 0.000 0.939 784 A HN 0.348 nan 8.150 nan 0.000 0.476 785 K N 0.226 120.551 120.400 -0.125 0.000 2.057 785 K HA -0.051 1.728 4.320 -4.236 0.000 0.206 785 K C 2.070 178.829 176.600 0.264 0.000 1.050 785 K CA 1.163 57.347 56.287 -0.171 0.000 0.935 785 K CB -0.343 31.605 32.500 -0.919 0.000 0.715 785 K HN 0.410 nan 8.250 nan 0.000 0.439 786 G N 2.209 111.258 108.800 0.416 0.000 2.511 786 G HA2 -0.210 1.208 3.960 -4.236 0.000 0.216 786 G HA3 -0.210 1.208 3.960 -4.236 0.000 0.216 786 G C -1.022 174.054 174.900 0.292 0.000 1.218 786 G CA 0.779 46.135 45.100 0.428 0.000 0.788 786 G HN 0.209 nan 8.290 nan 0.000 0.560 787 P HA -0.134 nan 4.420 nan 0.000 0.216 787 P C 1.618 179.074 177.300 0.261 0.000 1.153 787 P CA 0.812 64.078 63.100 0.275 0.000 0.858 787 P CB -0.148 31.735 31.700 0.305 0.000 0.789 788 F N 0.310 120.341 119.950 0.135 0.000 2.091 788 F HA -0.207 1.779 4.527 -4.235 0.000 0.299 788 F C 1.890 177.777 175.800 0.144 0.000 1.103 788 F CA 1.628 59.697 58.000 0.115 0.000 1.228 788 F CB -0.936 38.100 39.000 0.060 0.000 0.984 788 F HN -0.240 nan 8.300 nan 0.000 0.477 789 L N -0.152 121.190 121.223 0.199 0.000 2.275 789 L HA -0.169 1.629 4.340 -4.236 0.000 0.215 789 L C 2.112 179.016 176.870 0.057 0.000 1.119 789 L CA 0.534 55.432 54.840 0.098 0.000 0.790 789 L CB -0.558 41.660 42.059 0.266 0.000 0.919 789 L HN 0.234 nan 8.230 nan 0.000 0.443 790 L N -0.226 121.064 121.223 0.111 0.000 2.552 790 L HA 0.072 1.871 4.340 -4.236 0.000 0.227 790 L C 1.389 178.272 176.870 0.021 0.000 1.146 790 L CA 0.689 55.585 54.840 0.093 0.000 0.858 790 L CB -0.560 41.613 42.059 0.190 0.000 0.969 790 L HN 0.525 nan 8.230 nan 0.000 0.451 791 G N 0.874 109.645 108.800 -0.048 0.000 2.131 791 G HA2 -0.255 1.163 3.960 -4.236 0.000 0.223 791 G HA3 -0.255 1.163 3.960 -4.236 0.000 0.223 791 G C 0.095 174.976 174.900 -0.031 0.000 0.990 791 G CA -0.421 44.630 45.100 -0.082 0.000 0.671 791 G HN 0.265 nan 8.290 nan 0.000 0.521 792 I N 0.762 121.347 120.570 0.024 0.000 2.396 792 I HA 0.248 1.877 4.170 -4.236 0.000 0.289 792 I C 1.361 177.530 176.117 0.086 0.000 1.056 792 I CA -0.476 60.864 61.300 0.067 0.000 1.365 792 I CB 1.087 39.173 38.000 0.144 0.000 1.407 792 I HN -0.090 nan 8.210 nan 0.000 0.509 793 K N 5.144 125.585 120.400 0.068 0.000 2.348 793 K HA 0.427 2.205 4.320 -4.236 0.000 0.194 793 K C 0.165 176.828 176.600 0.104 0.000 1.052 793 K CA 0.233 56.585 56.287 0.108 0.000 1.004 793 K CB 0.755 33.308 32.500 0.088 0.000 0.873 793 K HN 0.645 nan 8.250 nan 0.000 0.523 794 A N 0.519 123.369 122.820 0.051 0.000 2.606 794 A HA 0.618 2.396 4.320 -4.236 0.000 0.293 794 A C -1.274 176.305 177.584 -0.008 0.000 1.082 794 A CA -0.621 51.421 52.037 0.008 0.000 0.685 794 A CB 1.678 20.662 19.000 -0.027 0.000 1.284 794 A HN -0.130 nan 8.150 nan 0.000 0.408 795 V N 1.149 121.057 119.914 -0.010 0.000 2.604 795 V HA 0.624 2.202 4.120 -4.236 0.000 0.305 795 V C -1.064 174.993 176.094 -0.062 0.000 1.043 795 V CA -0.540 61.742 62.300 -0.030 0.000 0.888 795 V CB 1.562 33.433 31.823 0.080 0.000 0.995 795 V HN 0.835 nan 8.190 nan 0.000 0.429 796 L N 4.669 125.785 121.223 -0.179 0.000 2.316 796 L HA 0.926 2.724 4.340 -4.236 0.000 0.280 796 L C -0.073 176.573 176.870 -0.373 0.000 1.006 796 L CA -0.116 54.563 54.840 -0.269 0.000 0.836 796 L CB 0.733 42.629 42.059 -0.272 0.000 1.221 796 L HN 0.840 nan 8.230 nan 0.000 0.418 797 A N 3.657 126.240 122.820 -0.395 0.000 2.527 797 A HA 0.645 2.423 4.320 -4.236 0.000 0.293 797 A C 0.438 177.930 177.584 -0.153 0.000 1.117 797 A CA -0.430 51.382 52.037 -0.375 0.000 0.723 797 A CB 1.093 19.632 19.000 -0.767 0.000 1.313 797 A HN 0.743 nan 8.150 nan 0.000 0.411 798 E N -0.055 120.168 120.200 0.038 0.000 2.112 798 E HA 0.069 1.877 4.350 -4.236 0.000 0.190 798 E C 0.357 176.983 176.600 0.044 0.000 0.979 798 E CA 1.298 57.796 56.400 0.163 0.000 0.814 798 E CB 0.094 29.860 29.700 0.111 0.000 0.762 798 E HN 0.732 nan 8.360 nan 0.000 0.460 799 S N -1.309 114.347 115.700 -0.075 0.000 2.588 799 S HA 0.491 2.419 4.470 -4.236 0.000 0.269 799 S C -1.396 173.108 174.600 -0.159 0.000 1.157 799 S CA -1.022 57.166 58.200 -0.020 0.000 0.824 799 S CB 0.861 64.092 63.200 0.052 0.000 1.126 799 S HN 0.070 nan 8.310 nan 0.000 0.464 800 Y N 0.176 120.543 120.300 0.113 0.000 2.499 800 Y HA 0.606 2.614 4.550 -4.236 0.000 0.347 800 Y C 0.299 176.260 175.900 0.101 0.000 0.987 800 Y CA -0.865 57.328 58.100 0.155 0.000 1.044 800 Y CB 1.334 39.877 38.460 0.138 0.000 1.245 800 Y HN 0.595 nan 8.280 nan 0.000 0.461 801 E N 1.710 122.055 120.200 0.242 0.000 2.349 801 E HA 0.164 1.972 4.350 -4.236 0.000 0.265 801 E C 0.919 177.611 176.600 0.154 0.000 1.064 801 E CA -0.266 56.220 56.400 0.144 0.000 0.886 801 E CB 0.951 30.692 29.700 0.067 0.000 1.036 801 E HN 0.613 nan 8.360 nan 0.000 0.413 802 R N 1.921 122.474 120.500 0.090 0.000 2.103 802 R HA -0.168 1.630 4.340 -4.236 0.000 0.234 802 R C 2.090 178.433 176.300 0.072 0.000 1.132 802 R CA 1.560 57.697 56.100 0.060 0.000 0.925 802 R CB -0.486 29.823 30.300 0.015 0.000 0.842 802 R HN 0.554 nan 8.270 nan 0.000 0.430 803 I N -0.682 119.937 120.570 0.082 0.000 2.179 803 I HA -0.291 1.337 4.170 -4.236 0.000 0.242 803 I C 2.546 178.723 176.117 0.101 0.000 1.088 803 I CA 1.628 62.983 61.300 0.093 0.000 1.357 803 I CB -0.522 37.533 38.000 0.091 0.000 1.051 803 I HN 0.331 nan 8.210 nan 0.000 0.409 804 H N 1.171 120.256 119.070 0.026 0.000 2.352 804 H HA -0.176 1.839 4.556 -4.237 0.000 0.299 804 H C 2.385 177.742 175.328 0.047 0.000 1.097 804 H CA 1.811 57.877 56.048 0.030 0.000 1.311 804 H CB -0.076 29.695 29.762 0.016 0.000 1.377 804 H HN 0.067 nan 8.280 nan 0.000 0.504 805 R N -0.130 120.376 120.500 0.010 0.000 2.083 805 R HA -0.138 1.661 4.340 -4.236 0.000 0.237 805 R C 2.264 178.471 176.300 -0.156 0.000 1.137 805 R CA 1.754 57.758 56.100 -0.161 0.000 0.951 805 R CB -0.246 29.974 30.300 -0.134 0.000 0.851 805 R HN 0.351 nan 8.270 nan 0.000 0.434 806 S N 0.809 116.474 115.700 -0.058 0.000 2.370 806 S HA -0.132 1.796 4.470 -4.236 0.000 0.226 806 S C 1.560 176.131 174.600 -0.048 0.000 1.033 806 S CA 1.742 59.934 58.200 -0.012 0.000 1.011 806 S CB -0.486 62.740 63.200 0.043 0.000 0.852 806 S HN 0.530 nan 8.310 nan 0.000 0.457 807 N N 1.093 119.737 118.700 -0.093 0.000 2.166 807 N HA -0.019 2.179 4.740 -4.236 0.000 0.186 807 N C 1.660 177.059 175.510 -0.185 0.000 1.019 807 N CA 0.954 53.919 53.050 -0.142 0.000 0.856 807 N CB -0.292 38.120 38.487 -0.125 0.000 0.993 807 N HN 0.271 nan 8.380 nan 0.000 0.426 808 L N 0.492 121.569 121.223 -0.243 0.000 2.017 808 L HA -0.159 1.639 4.340 -4.236 0.000 0.208 808 L C 2.239 179.072 176.870 -0.061 0.000 1.073 808 L CA 0.873 55.604 54.840 -0.182 0.000 0.745 808 L CB -0.441 41.475 42.059 -0.237 0.000 0.894 808 L HN 0.064 nan 8.230 nan 0.000 0.432 809 V N 0.129 120.029 119.914 -0.023 0.000 2.343 809 V HA -0.229 1.349 4.120 -4.236 0.000 0.247 809 V C 2.497 178.655 176.094 0.107 0.000 1.051 809 V CA 2.019 64.412 62.300 0.154 0.000 1.036 809 V CB -1.234 30.713 31.823 0.208 0.000 0.654 809 V HN 0.594 nan 8.190 nan 0.000 0.451 810 G N -1.230 107.559 108.800 -0.018 0.000 2.559 810 G HA2 -0.144 1.275 3.960 -4.236 0.000 0.216 810 G HA3 -0.144 1.274 3.960 -4.236 0.000 0.216 810 G C 1.213 175.979 174.900 -0.223 0.000 1.126 810 G CA 0.380 45.400 45.100 -0.133 0.000 0.778 810 G HN 0.379 nan 8.290 nan 0.000 0.543 811 M N -0.144 119.326 119.600 -0.216 0.000 2.333 811 M HA 0.274 2.212 4.480 -4.236 0.000 0.257 811 M C 1.753 177.877 176.300 -0.293 0.000 1.078 811 M CA 0.234 55.290 55.300 -0.406 0.000 1.005 811 M CB 0.161 32.499 32.600 -0.437 0.000 1.444 811 M HN 0.373 nan 8.290 nan 0.000 0.496 812 G N 0.727 109.531 108.800 0.006 0.000 2.176 812 G HA2 -0.200 1.218 3.960 -4.236 0.000 0.253 812 G HA3 -0.200 1.218 3.960 -4.236 0.000 0.253 812 G C 0.169 175.301 174.900 0.387 0.000 0.979 812 G CA 0.167 45.414 45.100 0.245 0.000 0.641 812 G HN 0.331 nan 8.290 nan 0.000 0.530 813 V N 2.083 122.151 119.914 0.257 0.000 2.555 813 V HA 0.387 1.965 4.120 -4.236 0.000 0.286 813 V C 1.197 177.358 176.094 0.112 0.000 1.044 813 V CA -0.238 62.190 62.300 0.213 0.000 1.026 813 V CB 1.307 33.222 31.823 0.153 0.000 0.981 813 V HN 0.319 nan 8.190 nan 0.000 0.480 814 I N 7.766 128.352 120.570 0.028 0.000 2.379 814 I HA 0.243 1.872 4.170 -4.236 0.000 0.290 814 I C -2.067 173.869 176.117 -0.303 0.000 1.063 814 I CA -1.594 59.553 61.300 -0.254 0.000 1.351 814 I CB 1.094 38.938 38.000 -0.260 0.000 1.410 814 I HN 0.447 nan 8.210 nan 0.000 0.505 815 P HA 0.284 nan 4.420 nan 0.000 0.280 815 P C -0.675 176.372 177.300 -0.421 0.000 1.386 815 P CA -0.129 62.661 63.100 -0.518 0.000 0.899 815 P CB 0.577 31.721 31.700 -0.927 0.000 1.098 816 L N 2.686 123.811 121.223 -0.163 0.000 2.357 816 L HA 0.478 2.276 4.340 -4.236 0.000 0.273 816 L C 0.879 177.753 176.870 0.007 0.000 1.080 816 L CA -0.427 54.335 54.840 -0.131 0.000 0.803 816 L CB 1.223 43.197 42.059 -0.141 0.000 1.174 816 L HN 0.334 nan 8.230 nan 0.000 0.443 817 E N 0.915 121.095 120.200 -0.033 0.000 2.272 817 E HA 0.311 2.119 4.350 -4.236 0.000 0.269 817 E C -1.508 175.073 176.600 -0.031 0.000 0.877 817 E CA -0.786 55.620 56.400 0.010 0.000 0.755 817 E CB 1.590 31.361 29.700 0.117 0.000 1.192 817 E HN 0.285 nan 8.360 nan 0.000 0.422 818 Y N 1.961 122.301 120.300 0.067 0.000 2.578 818 Y HA 0.021 2.030 4.550 -4.236 0.000 0.339 818 Y C 0.721 176.650 175.900 0.049 0.000 1.231 818 Y CA 0.170 58.307 58.100 0.061 0.000 1.461 818 Y CB 0.360 38.824 38.460 0.005 0.000 1.323 818 Y HN 0.386 nan 8.280 nan 0.000 0.590 819 L N 6.027 127.394 121.223 0.239 0.000 2.490 819 L HA 0.099 1.897 4.340 -4.236 0.000 0.274 819 L C -1.870 175.063 176.870 0.106 0.000 1.201 819 L CA -1.917 53.005 54.840 0.136 0.000 0.869 819 L CB -0.022 42.105 42.059 0.113 0.000 1.123 819 L HN 0.413 nan 8.230 nan 0.000 0.484 820 P HA -0.092 nan 4.420 nan 0.000 0.261 820 P C 0.810 178.121 177.300 0.018 0.000 1.165 820 P CA 0.979 64.104 63.100 0.042 0.000 0.759 820 P CB 0.515 32.233 31.700 0.031 0.000 0.772 821 G N 1.809 110.606 108.800 -0.004 0.000 2.179 821 G HA2 -0.235 1.183 3.960 -4.236 0.000 0.260 821 G HA3 -0.235 1.183 3.960 -4.236 0.000 0.260 821 G C -0.088 174.773 174.900 -0.064 0.000 0.977 821 G CA 0.004 45.087 45.100 -0.030 0.000 0.641 821 G HN 0.588 nan 8.290 nan 0.000 0.533 822 E N 0.109 120.265 120.200 -0.073 0.000 2.227 822 E HA 0.610 2.418 4.350 -4.236 0.000 0.268 822 E C 0.010 176.362 176.600 -0.414 0.000 0.907 822 E CA -0.361 55.939 56.400 -0.167 0.000 0.786 822 E CB 1.423 31.084 29.700 -0.065 0.000 1.191 822 E HN 0.584 nan 8.360 nan 0.000 0.411 823 N N -0.611 117.666 118.700 -0.705 0.000 3.339 823 N HA 0.316 2.514 4.740 -4.236 0.000 0.275 823 N C -0.129 174.829 175.510 -0.919 0.000 1.514 823 N CA -0.312 51.992 53.050 -1.243 0.000 0.879 823 N CB 0.243 38.356 38.487 -0.623 0.000 1.557 823 N HN 0.328 nan 8.380 nan 0.000 0.524 824 A N -0.452 121.955 122.820 -0.689 0.000 1.908 824 A HA -0.168 1.610 4.320 -4.236 0.000 0.218 824 A C 1.329 178.779 177.584 -0.224 0.000 1.181 824 A CA 2.135 53.995 52.037 -0.295 0.000 0.627 824 A CB -1.032 17.902 19.000 -0.111 0.000 0.818 824 A HN 0.715 nan 8.150 nan 0.000 0.445 825 D N -0.314 119.960 120.400 -0.210 0.000 2.123 825 D HA 0.032 2.130 4.640 -4.236 0.000 0.200 825 D C 2.204 178.412 176.300 -0.152 0.000 0.976 825 D CA 1.428 55.340 54.000 -0.147 0.000 0.831 825 D CB -0.328 40.400 40.800 -0.120 0.000 0.974 825 D HN 0.401 nan 8.370 nan 0.000 0.469 826 A N 0.049 122.752 122.820 -0.196 0.000 2.014 826 A HA -0.017 1.761 4.320 -4.236 0.000 0.218 826 A C 2.122 179.603 177.584 -0.172 0.000 1.163 826 A CA 0.682 52.617 52.037 -0.169 0.000 0.652 826 A CB -0.381 18.512 19.000 -0.178 0.000 0.808 826 A HN 0.225 nan 8.150 nan 0.000 0.449 827 L N -1.368 119.714 121.223 -0.235 0.000 2.585 827 L HA 0.240 2.038 4.340 -4.236 0.000 0.226 827 L C 1.495 178.262 176.870 -0.172 0.000 1.113 827 L CA 0.463 55.159 54.840 -0.240 0.000 0.876 827 L CB -0.012 41.787 42.059 -0.434 0.000 1.072 827 L HN 0.515 nan 8.230 nan 0.000 0.468 828 G N 1.248 109.966 108.800 -0.136 0.000 2.221 828 G HA2 -0.274 1.144 3.960 -4.236 0.000 0.265 828 G HA3 -0.274 1.144 3.960 -4.236 0.000 0.265 828 G C 0.102 174.968 174.900 -0.055 0.000 1.041 828 G CA -0.194 44.858 45.100 -0.081 0.000 0.807 828 G HN 0.230 nan 8.290 nan 0.000 0.502 829 L N 0.560 121.745 121.223 -0.063 0.000 2.360 829 L HA 0.395 2.193 4.340 -4.236 0.000 0.276 829 L C 1.970 178.871 176.870 0.051 0.000 1.121 829 L CA 0.273 55.127 54.840 0.023 0.000 0.845 829 L CB 1.002 43.105 42.059 0.073 0.000 1.143 829 L HN 0.423 nan 8.230 nan 0.000 0.452 830 T N -2.106 112.511 114.554 0.104 0.000 3.040 830 T HA 0.171 1.979 4.350 -4.236 0.000 0.252 830 T C 1.284 176.113 174.700 0.215 0.000 1.064 830 T CA 0.516 62.691 62.100 0.124 0.000 1.110 830 T CB 0.472 69.412 68.868 0.119 0.000 0.921 830 T HN 0.909 nan 8.240 nan 0.000 0.480 831 G N 0.984 109.950 108.800 0.277 0.000 2.176 831 G HA2 -0.241 1.177 3.960 -4.236 0.000 0.232 831 G HA3 -0.241 1.177 3.960 -4.236 0.000 0.232 831 G C 0.725 175.920 174.900 0.492 0.000 0.986 831 G CA 0.370 45.697 45.100 0.378 0.000 0.643 831 G HN 0.565 nan 8.290 nan 0.000 0.522 832 Q N -0.070 119.933 119.800 0.339 0.000 2.352 832 Q HA 0.234 2.032 4.340 -4.236 0.000 0.212 832 Q C 0.723 176.829 176.000 0.177 0.000 0.888 832 Q CA 0.323 56.256 55.803 0.217 0.000 0.934 832 Q CB 0.383 29.199 28.738 0.129 0.000 1.093 832 Q HN 0.699 nan 8.270 nan 0.000 0.523 833 E N 0.937 121.259 120.200 0.203 0.000 2.391 833 E HA 0.160 1.968 4.350 -4.236 0.000 0.255 833 E C -0.372 176.282 176.600 0.090 0.000 1.187 833 E CA 0.037 56.481 56.400 0.074 0.000 0.941 833 E CB 0.613 30.272 29.700 -0.068 0.000 1.010 833 E HN -0.012 nan 8.360 nan 0.000 0.458 834 R N 0.834 121.286 120.500 -0.079 0.000 2.393 834 R HA 0.322 2.121 4.340 -4.236 0.000 0.310 834 R C -0.998 175.279 176.300 -0.038 0.000 0.968 834 R CA -0.647 55.390 56.100 -0.104 0.000 0.867 834 R CB 0.744 30.872 30.300 -0.287 0.000 1.124 834 R HN 0.447 nan 8.270 nan 0.000 0.450 835 Y N 0.860 121.085 120.300 -0.126 0.000 2.331 835 Y HA 0.242 2.250 4.550 -4.236 0.000 0.338 835 Y C 0.370 176.221 175.900 -0.082 0.000 0.976 835 Y CA -0.487 57.569 58.100 -0.074 0.000 1.137 835 Y CB 2.070 40.505 38.460 -0.041 0.000 1.172 835 Y HN 0.410 nan 8.280 nan 0.000 0.478 836 T N 5.593 120.150 114.554 0.006 0.000 2.771 836 T HA 0.574 2.382 4.350 -4.236 0.000 0.281 836 T C -0.205 174.476 174.700 -0.032 0.000 0.982 836 T CA -0.467 61.625 62.100 -0.014 0.000 0.978 836 T CB 0.391 69.234 68.868 -0.043 0.000 0.930 836 T HN 0.364 nan 8.240 nan 0.000 0.447 837 I N 4.085 124.649 120.570 -0.011 0.000 2.354 837 I HA 0.350 1.978 4.170 -4.236 0.000 0.286 837 I C -0.551 175.558 176.117 -0.014 0.000 1.007 837 I CA -0.842 60.440 61.300 -0.030 0.000 1.167 837 I CB 1.177 39.168 38.000 -0.014 0.000 1.320 837 I HN 0.500 nan 8.210 nan 0.000 0.458 838 I N 7.839 128.388 120.570 -0.034 0.000 2.363 838 I HA 0.183 1.811 4.170 -4.236 0.000 0.292 838 I C -0.004 176.117 176.117 0.008 0.000 1.075 838 I CA 0.283 61.576 61.300 -0.012 0.000 1.333 838 I CB 0.220 38.203 38.000 -0.027 0.000 1.415 838 I HN 0.372 nan 8.210 nan 0.000 0.502 839 I N 9.478 130.074 120.570 0.044 0.000 2.306 839 I HA 0.297 1.925 4.170 -4.236 0.000 0.288 839 I C -1.756 174.402 176.117 0.070 0.000 1.036 839 I CA -1.592 59.757 61.300 0.081 0.000 1.221 839 I CB 0.592 38.688 38.000 0.161 0.000 1.385 839 I HN 0.438 nan 8.210 nan 0.000 0.472 840 P HA 0.135 nan 4.420 nan 0.000 0.274 840 P C 0.201 177.530 177.300 0.048 0.000 1.256 840 P CA -0.272 62.851 63.100 0.039 0.000 0.795 840 P CB 1.007 32.723 31.700 0.027 0.000 1.038 841 E N -0.213 120.007 120.200 0.032 0.000 2.153 841 E HA -0.051 1.757 4.350 -4.236 0.000 0.194 841 E C 0.161 176.778 176.600 0.028 0.000 0.988 841 E CA 1.235 57.652 56.400 0.028 0.000 0.811 841 E CB -0.237 29.474 29.700 0.018 0.000 0.746 841 E HN 0.464 nan 8.360 nan 0.000 0.466 842 N N 0.593 119.309 118.700 0.027 0.000 2.399 842 N HA 0.303 2.501 4.740 -4.236 0.000 0.280 842 N C -0.563 174.964 175.510 0.028 0.000 1.008 842 N CA -0.262 52.801 53.050 0.022 0.000 0.894 842 N CB 2.182 40.676 38.487 0.012 0.000 1.273 842 N HN -0.067 nan 8.380 nan 0.000 0.486 843 L N 1.454 122.696 121.223 0.031 0.000 2.331 843 L HA 0.556 2.354 4.340 -4.236 0.000 0.275 843 L C -0.005 176.877 176.870 0.020 0.000 1.022 843 L CA -0.687 54.178 54.840 0.041 0.000 0.812 843 L CB 1.388 43.487 42.059 0.066 0.000 1.257 843 L HN 0.233 nan 8.230 nan 0.000 0.435 844 K N 2.197 122.614 120.400 0.028 0.000 2.468 844 K HA 0.476 2.255 4.320 -4.236 0.000 0.252 844 K C -2.658 173.960 176.600 0.030 0.000 0.932 844 K CA -1.749 54.546 56.287 0.014 0.000 0.794 844 K CB 2.265 34.769 32.500 0.007 0.000 1.241 844 K HN 0.085 nan 8.250 nan 0.000 0.428 845 P HA -0.054 nan 4.420 nan 0.000 0.261 845 P C -0.868 176.443 177.300 0.018 0.000 1.173 845 P CA 0.650 63.769 63.100 0.032 0.000 0.760 845 P CB 0.417 32.118 31.700 0.003 0.000 0.783 846 Q N -0.862 118.946 119.800 0.014 0.000 2.480 846 Q HA -0.246 1.552 4.340 -4.236 0.000 0.265 846 Q C 0.320 176.310 176.000 -0.018 0.000 1.072 846 Q CA 0.460 56.250 55.803 -0.022 0.000 1.018 846 Q CB -1.631 27.094 28.738 -0.022 0.000 1.433 846 Q HN 0.613 nan 8.270 nan 0.000 0.513 847 M N -0.959 118.638 119.600 -0.006 0.000 2.245 847 M HA 0.277 2.215 4.480 -4.236 0.000 0.330 847 M C -0.182 176.106 176.300 -0.020 0.000 1.098 847 M CA 0.207 55.503 55.300 -0.005 0.000 1.172 847 M CB 0.699 33.304 32.600 0.009 0.000 1.467 847 M HN -0.091 nan 8.290 nan 0.000 0.454 848 K N 2.488 122.880 120.400 -0.013 0.000 2.234 848 K HA 0.497 2.275 4.320 -4.236 0.000 0.282 848 K C -0.644 175.941 176.600 -0.025 0.000 1.039 848 K CA -0.725 55.552 56.287 -0.017 0.000 0.928 848 K CB 1.314 33.812 32.500 -0.002 0.000 1.039 848 K HN 0.657 nan 8.250 nan 0.000 0.470 849 V N 0.204 120.092 119.914 -0.045 0.000 2.715 849 V HA 0.385 1.963 4.120 -4.236 0.000 0.310 849 V C -0.547 175.490 176.094 -0.093 0.000 1.054 849 V CA -1.162 61.103 62.300 -0.058 0.000 0.928 849 V CB 1.573 33.360 31.823 -0.060 0.000 1.007 849 V HN 0.831 nan 8.190 nan 0.000 0.437 850 Q N 2.222 121.961 119.800 -0.101 0.000 2.259 850 Q HA 0.751 2.549 4.340 -4.236 0.000 0.246 850 Q C -1.066 174.790 176.000 -0.239 0.000 0.920 850 Q CA -0.748 54.959 55.803 -0.159 0.000 0.895 850 Q CB 1.859 30.530 28.738 -0.111 0.000 1.220 850 Q HN 0.614 nan 8.270 nan 0.000 0.439 851 V N 2.548 122.200 119.914 -0.437 0.000 2.378 851 V HA 0.355 1.933 4.120 -4.236 0.000 0.288 851 V C -0.415 175.411 176.094 -0.447 0.000 1.016 851 V CA -0.767 61.220 62.300 -0.521 0.000 0.840 851 V CB 1.340 32.586 31.823 -0.961 0.000 0.994 851 V HN 0.726 nan 8.190 nan 0.000 0.431 852 K N 4.642 124.889 120.400 -0.255 0.000 2.130 852 K HA 0.733 2.511 4.320 -4.236 0.000 0.268 852 K C -0.943 175.533 176.600 -0.206 0.000 0.983 852 K CA -0.473 55.703 56.287 -0.184 0.000 0.893 852 K CB 1.665 34.094 32.500 -0.117 0.000 1.066 852 K HN 0.500 nan 8.250 nan 0.000 0.450 853 L N 1.779 122.889 121.223 -0.187 0.000 2.313 853 L HA 0.227 2.025 4.340 -4.236 0.000 0.268 853 L C 1.091 177.871 176.870 -0.150 0.000 1.010 853 L CA -0.719 53.976 54.840 -0.241 0.000 0.814 853 L CB 1.488 43.396 42.059 -0.253 0.000 1.304 853 L HN 0.807 nan 8.230 nan 0.000 0.441 854 D N -1.219 119.092 120.400 -0.148 0.000 2.219 854 D HA -0.181 1.917 4.640 -4.236 0.000 0.205 854 D C 1.479 177.737 176.300 -0.069 0.000 0.970 854 D CA 1.569 55.512 54.000 -0.096 0.000 0.851 854 D CB -0.423 40.321 40.800 -0.095 0.000 0.943 854 D HN 0.693 nan 8.370 nan 0.000 0.488 855 T N -4.355 110.156 114.554 -0.071 0.000 3.113 855 T HA 0.311 2.119 4.350 -4.236 0.000 0.263 855 T C 1.795 176.472 174.700 -0.038 0.000 1.143 855 T CA 0.912 62.985 62.100 -0.045 0.000 1.090 855 T CB -0.156 68.689 68.868 -0.038 0.000 0.922 855 T HN 0.453 nan 8.240 nan 0.000 0.521 856 G N 1.215 109.987 108.800 -0.047 0.000 2.279 856 G HA2 -0.264 1.154 3.960 -4.236 0.000 0.223 856 G HA3 -0.264 1.154 3.960 -4.236 0.000 0.223 856 G C 0.103 174.986 174.900 -0.029 0.000 1.015 856 G CA 0.080 45.159 45.100 -0.036 0.000 0.621 856 G HN 0.802 nan 8.290 nan 0.000 0.506 857 K N 1.843 122.230 120.400 -0.022 0.000 2.518 857 K HA 0.388 2.166 4.320 -4.236 0.000 0.276 857 K C 0.476 177.088 176.600 0.020 0.000 0.974 857 K CA 1.284 57.577 56.287 0.010 0.000 0.986 857 K CB 0.156 32.669 32.500 0.022 0.000 0.901 857 K HN 0.641 nan 8.250 nan 0.000 0.497 858 T N 0.991 115.584 114.554 0.065 0.000 2.864 858 T HA 0.710 2.518 4.350 -4.236 0.000 0.299 858 T C -0.839 173.984 174.700 0.204 0.000 1.166 858 T CA -0.863 61.264 62.100 0.044 0.000 1.007 858 T CB 0.938 69.776 68.868 -0.051 0.000 1.219 858 T HN 0.596 nan 8.240 nan 0.000 0.506 859 F N -1.123 118.819 119.950 -0.013 0.000 2.985 859 F HA 0.747 2.732 4.527 -4.237 0.000 0.322 859 F C -1.476 174.334 175.800 0.017 0.000 1.187 859 F CA -1.366 56.642 58.000 0.012 0.000 0.910 859 F CB 1.161 40.185 39.000 0.040 0.000 1.411 859 F HN 0.667 nan 8.300 nan 0.000 0.492 860 Q N 0.972 120.896 119.800 0.208 0.000 2.348 860 Q HA 0.823 2.621 4.340 -4.236 0.000 0.271 860 Q C -1.282 174.823 176.000 0.175 0.000 1.067 860 Q CA -1.384 54.457 55.803 0.063 0.000 0.839 860 Q CB 2.556 31.333 28.738 0.066 0.000 1.354 860 Q HN 0.960 nan 8.270 nan 0.000 0.447 861 A N 1.060 123.903 122.820 0.037 0.000 2.498 861 A HA 0.645 2.423 4.320 -4.236 0.000 0.298 861 A C -0.940 176.636 177.584 -0.013 0.000 1.075 861 A CA -0.606 51.458 52.037 0.046 0.000 0.714 861 A CB 1.525 20.521 19.000 -0.006 0.000 1.299 861 A HN 0.429 nan 8.150 nan 0.000 0.407 862 V N 2.316 122.223 119.914 -0.012 0.000 2.432 862 V HA 0.258 1.837 4.120 -4.236 0.000 0.271 862 V C 0.485 176.510 176.094 -0.114 0.000 1.046 862 V CA 0.019 62.293 62.300 -0.042 0.000 0.945 862 V CB 0.954 32.767 31.823 -0.016 0.000 0.992 862 V HN 0.905 nan 8.190 nan 0.000 0.471 863 M N 6.099 125.609 119.600 -0.151 0.000 2.156 863 M HA 0.293 2.232 4.480 -4.236 0.000 0.345 863 M C 0.477 176.560 176.300 -0.361 0.000 1.398 863 M CA -0.277 54.846 55.300 -0.294 0.000 1.148 863 M CB 0.024 32.489 32.600 -0.225 0.000 1.663 863 M HN 0.463 nan 8.290 nan 0.000 0.464 864 R N 4.997 125.193 120.500 -0.507 0.000 4.609 864 R HA 0.160 1.958 4.340 -4.236 0.000 0.235 864 R C -1.433 174.584 176.300 -0.472 0.000 1.836 864 R CA 0.053 55.907 56.100 -0.410 0.000 1.564 864 R CB -1.075 28.999 30.300 -0.376 0.000 1.382 864 R HN 0.483 nan 8.270 nan 0.000 0.776 865 F N 0.104 119.953 119.950 -0.169 0.000 2.375 865 F HA 0.158 2.143 4.527 -4.236 0.000 0.362 865 F C 1.281 177.015 175.800 -0.109 0.000 1.129 865 F CA -0.910 57.002 58.000 -0.145 0.000 1.154 865 F CB 0.989 39.897 39.000 -0.153 0.000 1.205 865 F HN -0.014 nan 8.300 nan 0.000 0.513 866 D N 0.411 120.846 120.400 0.058 0.000 2.323 866 D HA -0.010 2.088 4.640 -4.236 0.000 0.209 866 D C 1.065 177.364 176.300 -0.002 0.000 0.973 866 D CA 0.963 54.967 54.000 0.007 0.000 0.874 866 D CB 0.303 41.095 40.800 -0.012 0.000 0.930 866 D HN 0.547 nan 8.370 nan 0.000 0.521 867 T N -3.751 110.799 114.554 -0.007 0.000 2.841 867 T HA 0.265 2.074 4.350 -4.236 0.000 0.296 867 T C 0.401 175.046 174.700 -0.091 0.000 1.166 867 T CA -0.808 61.262 62.100 -0.050 0.000 1.007 867 T CB 1.860 70.692 68.868 -0.061 0.000 1.253 867 T HN -0.404 nan 8.240 nan 0.000 0.511 868 D N 0.383 120.714 120.400 -0.115 0.000 2.117 868 D HA -0.099 1.999 4.640 -4.236 0.000 0.197 868 D C 2.306 178.450 176.300 -0.260 0.000 0.987 868 D CA 1.671 55.580 54.000 -0.152 0.000 0.829 868 D CB -0.350 40.374 40.800 -0.127 0.000 0.961 868 D HN 0.517 nan 8.370 nan 0.000 0.460 869 V N -0.221 119.497 119.914 -0.328 0.000 2.515 869 V HA -0.159 1.419 4.120 -4.236 0.000 0.250 869 V C 1.773 177.318 176.094 -0.916 0.000 1.058 869 V CA 1.564 63.505 62.300 -0.599 0.000 1.064 869 V CB -0.423 31.066 31.823 -0.556 0.000 0.675 869 V HN 0.062 nan 8.190 nan 0.000 0.461 870 E N 0.331 120.206 120.200 -0.540 0.000 2.110 870 E HA -0.125 1.683 4.350 -4.236 0.000 0.193 870 E C 2.246 178.621 176.600 -0.375 0.000 0.988 870 E CA 1.649 57.839 56.400 -0.349 0.000 0.804 870 E CB -0.245 29.438 29.700 -0.029 0.000 0.745 870 E HN 0.629 nan 8.360 nan 0.000 0.458 871 L N 0.662 121.658 121.223 -0.379 0.000 2.079 871 L HA -0.195 1.603 4.340 -4.236 0.000 0.210 871 L C 2.524 179.211 176.870 -0.305 0.000 1.081 871 L CA 1.238 55.828 54.840 -0.415 0.000 0.752 871 L CB -0.507 41.410 42.059 -0.237 0.000 0.896 871 L HN 0.190 nan 8.230 nan 0.000 0.433 872 T N -1.430 112.917 114.554 -0.345 0.000 2.746 872 T HA -0.189 1.619 4.350 -4.236 0.000 0.267 872 T C 1.723 176.304 174.700 -0.198 0.000 1.039 872 T CA 1.179 63.100 62.100 -0.300 0.000 1.142 872 T CB -0.288 68.315 68.868 -0.441 0.000 0.866 872 T HN 0.173 nan 8.240 nan 0.000 0.444 873 Y N 0.578 120.703 120.300 -0.291 0.000 2.165 873 Y HA -0.019 1.990 4.550 -4.236 0.000 0.286 873 Y C 2.137 177.969 175.900 -0.113 0.000 1.155 873 Y CA -0.228 57.749 58.100 -0.204 0.000 1.164 873 Y CB -1.269 37.093 38.460 -0.163 0.000 0.978 873 Y HN 0.230 nan 8.280 nan 0.000 0.513 874 F N 0.335 120.171 119.950 -0.190 0.000 2.102 874 F HA -0.178 1.807 4.527 -4.237 0.000 0.298 874 F C 1.992 177.710 175.800 -0.137 0.000 1.105 874 F CA 1.298 59.146 58.000 -0.253 0.000 1.239 874 F CB -0.766 37.786 39.000 -0.747 0.000 0.991 874 F HN -0.064 nan 8.300 nan 0.000 0.474 875 L N 0.254 121.278 121.223 -0.331 0.000 2.127 875 L HA -0.267 1.532 4.340 -4.236 0.000 0.211 875 L C 1.893 178.647 176.870 -0.194 0.000 1.089 875 L CA 1.403 56.052 54.840 -0.318 0.000 0.757 875 L CB -0.810 41.160 42.059 -0.149 0.000 0.899 875 L HN 0.265 nan 8.230 nan 0.000 0.434 876 N N -0.112 118.543 118.700 -0.077 0.000 2.398 876 N HA -0.010 2.188 4.740 -4.236 0.000 0.188 876 N C 1.304 176.813 175.510 -0.002 0.000 1.122 876 N CA 0.874 53.940 53.050 0.026 0.000 0.866 876 N CB 0.629 39.228 38.487 0.187 0.000 0.970 876 N HN 0.450 nan 8.380 nan 0.000 0.462 877 G N 0.445 109.199 108.800 -0.077 0.000 2.148 877 G HA2 -0.174 1.244 3.960 -4.236 0.000 0.254 877 G HA3 -0.174 1.244 3.960 -4.236 0.000 0.254 877 G C 0.321 175.203 174.900 -0.030 0.000 0.981 877 G CA 0.274 45.351 45.100 -0.037 0.000 0.670 877 G HN 0.732 nan 8.290 nan 0.000 0.528 878 G N -1.958 106.834 108.800 -0.014 0.000 2.333 878 G HA2 0.363 1.781 3.960 -4.236 0.000 0.330 878 G HA3 0.363 1.781 3.960 -4.236 0.000 0.330 878 G C 0.505 175.346 174.900 -0.099 0.000 1.465 878 G CA -0.091 44.961 45.100 -0.080 0.000 0.996 878 G HN 1.069 nan 8.290 nan 0.000 0.655 879 I N 0.194 120.595 120.570 -0.283 0.000 2.252 879 I HA -0.014 1.614 4.170 -4.236 0.000 0.245 879 I C 2.394 178.363 176.117 -0.246 0.000 1.102 879 I CA 1.102 62.060 61.300 -0.570 0.000 1.385 879 I CB -0.125 37.377 38.000 -0.831 0.000 1.064 879 I HN 0.504 nan 8.210 nan 0.000 0.414 880 L N 0.407 121.538 121.223 -0.154 0.000 2.156 880 L HA -0.145 1.653 4.340 -4.236 0.000 0.208 880 L C 2.013 178.837 176.870 -0.078 0.000 1.095 880 L CA 1.080 55.869 54.840 -0.085 0.000 0.770 880 L CB -0.913 41.160 42.059 0.023 0.000 0.914 880 L HN 0.304 nan 8.230 nan 0.000 0.439 881 N N -0.300 118.415 118.700 0.025 0.000 2.166 881 N HA -0.239 1.960 4.740 -4.236 0.000 0.186 881 N C 1.680 177.212 175.510 0.036 0.000 1.019 881 N CA 1.107 54.180 53.050 0.037 0.000 0.856 881 N CB -0.435 38.116 38.487 0.106 0.000 0.993 881 N HN 0.291 nan 8.380 nan 0.000 0.426 882 Y N 0.942 121.217 120.300 -0.041 0.000 2.145 882 Y HA -0.138 1.871 4.550 -4.236 0.000 0.286 882 Y C 2.005 177.899 175.900 -0.009 0.000 1.145 882 Y CA 1.441 59.545 58.100 0.007 0.000 1.148 882 Y CB -0.084 38.429 38.460 0.088 0.000 0.981 882 Y HN -0.048 nan 8.280 nan 0.000 0.507 883 M N -0.077 119.512 119.600 -0.018 0.000 2.132 883 M HA -0.171 1.767 4.480 -4.236 0.000 0.263 883 M C 2.302 178.517 176.300 -0.141 0.000 1.065 883 M CA 1.443 56.690 55.300 -0.089 0.000 1.122 883 M CB -1.237 31.354 32.600 -0.016 0.000 1.365 883 M HN 0.384 nan 8.290 nan 0.000 0.411 884 I N -0.303 120.172 120.570 -0.159 0.000 2.163 884 I HA -0.352 1.276 4.170 -4.236 0.000 0.243 884 I C 2.649 178.687 176.117 -0.132 0.000 1.085 884 I CA 1.423 62.623 61.300 -0.165 0.000 1.347 884 I CB -0.339 37.511 38.000 -0.251 0.000 1.044 884 I HN 0.309 nan 8.210 nan 0.000 0.408 885 R N 0.437 120.849 120.500 -0.147 0.000 2.073 885 R HA -0.192 1.606 4.340 -4.236 0.000 0.234 885 R C 2.378 178.573 176.300 -0.175 0.000 1.134 885 R CA 1.377 57.394 56.100 -0.138 0.000 0.952 885 R CB -0.330 29.895 30.300 -0.126 0.000 0.850 885 R HN 0.267 nan 8.270 nan 0.000 0.433 886 K N 0.147 120.374 120.400 -0.289 0.000 2.074 886 K HA -0.167 1.611 4.320 -4.236 0.000 0.209 886 K C 1.959 178.482 176.600 -0.129 0.000 1.048 886 K CA 1.454 57.590 56.287 -0.252 0.000 0.926 886 K CB 0.109 32.400 32.500 -0.348 0.000 0.713 886 K HN 0.052 nan 8.250 nan 0.000 0.444 887 M N -0.191 119.347 119.600 -0.104 0.000 2.288 887 M HA -0.001 1.938 4.480 -4.236 0.000 0.266 887 M C 2.299 178.573 176.300 -0.043 0.000 1.072 887 M CA 1.141 56.408 55.300 -0.055 0.000 1.132 887 M CB -0.953 31.628 32.600 -0.032 0.000 1.386 887 M HN 0.198 nan 8.290 nan 0.000 0.432 888 A N 1.525 124.314 122.820 -0.052 0.000 1.858 888 A HA -0.149 1.629 4.320 -4.236 0.000 0.216 888 A C 1.500 179.067 177.584 -0.029 0.000 1.190 888 A CA 1.407 53.424 52.037 -0.033 0.000 0.617 888 A CB -0.583 18.398 19.000 -0.033 0.000 0.827 888 A HN 0.576 nan 8.150 nan 0.000 0.443 889 K N 0.000 120.375 120.400 -0.041 0.000 2.780 889 K HA 0.000 1.778 4.320 -4.236 0.000 0.191 889 K CA 0.000 56.266 56.287 -0.035 0.000 0.838 889 K CB 0.000 32.478 32.500 -0.037 0.000 1.064 889 K HN 0.000 nan 8.250 nan 0.000 0.543