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 3cj3_1_B DATA FIRST_RESID 0 DATA SEQUENCE HHMSYTWTGA LITPCAAEES KLPINALSNS LLRHHNMVYA TTSRSAGLRQ DATA SEQUENCE KKVTFDRLQV LDDHYRDVLK EMKAKASTVK AKLLSVEEAC KLTPPHSAKS DATA SEQUENCE KFGYGAKDVR NLSSKAVNHI HSVWKDLLED TVTPIDTTIM AKNEVFCVQP DATA SEQUENCE EXXGRKPARL IVFPDLGVRV CEKMALYDVV STLPQVVMGS SYGFQYSPGQ DATA SEQUENCE RVEFLVNTWK SKKNPMGFSY DTRCFDSTVT ENDIRVEESI YQCCDLAPEA DATA SEQUENCE RQAIKSLTER LYIGGPLTNS KGQNCGYRRC RASGVLTTSC GNTLTCYLKA DATA SEQUENCE SAACRAAKLQ DCTMLVNGDD LVVICESAGT QEDAASLRVF TEAMTRYSAP DATA SEQUENCE PGDPPQPEYD LELITSCSSN VSVAHDASGK RVYYLTRDPT TPLARAAWET DATA SEQUENCE ARHTPVNSWL GNIIMYAPTL WARMILMTHF FSILLAQEQL EKALDCQIYG DATA SEQUENCE ACYSIEPLDL PQIIERLHGL SAFSLHSYSP GEINRVASCL RKLGVPPLRV DATA SEQUENCE WRHRARSVRA RLLSQGGRAA TCGKYLFNWA VKTKLKLTPI PAASRLDLSG DATA SEQUENCE WFVAGYSGGD IYHS 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.188 175.328 -0.234 0.000 0.993 0 H CA 0.000 56.025 56.048 -0.038 0.000 1.023 0 H CB 0.000 29.762 29.762 -0.000 0.000 1.292 1 H N 1.441 120.610 119.070 0.166 0.000 2.386 1 H HA 0.183 4.739 4.556 0.000 0.000 0.232 1 H C 0.016 175.354 175.328 0.017 0.000 1.416 1 H CA -0.435 55.648 56.048 0.058 0.000 1.285 1 H CB 0.459 30.250 29.762 0.048 0.000 1.625 1 H HN 0.161 nan 8.280 nan 0.000 0.521 2 M N 1.519 121.142 119.600 0.037 0.000 2.200 2 M HA 0.027 4.507 4.480 0.000 0.000 0.355 2 M C 1.837 178.038 176.300 -0.166 0.000 1.283 2 M CA 0.073 55.334 55.300 -0.064 0.000 1.124 2 M CB 1.191 33.733 32.600 -0.096 0.000 1.625 2 M HN 0.354 nan 8.290 nan 0.000 0.463 3 S N 3.297 118.830 115.700 -0.279 0.000 2.365 3 S HA -0.139 4.331 4.470 0.000 0.000 0.225 3 S C 0.162 174.347 174.600 -0.692 0.000 1.039 3 S CA 1.176 59.090 58.200 -0.477 0.000 1.033 3 S CB -0.269 62.582 63.200 -0.581 0.000 0.887 3 S HN 0.648 nan 8.310 nan 0.000 0.447 4 Y N 0.760 120.851 120.300 -0.348 0.000 2.534 4 Y HA 0.548 5.098 4.550 0.000 0.000 0.345 4 Y C 0.003 175.519 175.900 -0.640 0.000 1.031 4 Y CA -0.842 56.898 58.100 -0.601 0.000 1.022 4 Y CB 2.026 39.890 38.460 -0.994 0.000 1.292 4 Y HN 0.170 nan 8.280 nan 0.000 0.459 5 T N -2.091 112.175 114.554 -0.479 0.000 2.885 5 T HA 0.696 5.046 4.350 0.000 0.000 0.285 5 T C -1.235 173.168 174.700 -0.495 0.000 1.019 5 T CA -0.749 61.123 62.100 -0.380 0.000 1.010 5 T CB 1.097 69.885 68.868 -0.132 0.000 1.022 5 T HN 0.555 nan 8.240 nan 0.000 0.466 6 W N 1.010 122.358 121.300 0.080 0.000 2.736 6 W HA 0.453 5.113 4.660 0.000 0.000 0.335 6 W C 1.422 177.965 176.519 0.041 0.000 1.059 6 W CA -0.875 56.503 57.345 0.054 0.000 1.226 6 W CB 2.147 31.621 29.460 0.024 0.000 1.416 6 W HN 0.910 nan 8.180 nan 0.000 0.505 7 T N -2.034 112.697 114.554 0.294 0.000 3.054 7 T HA 0.272 4.622 4.350 0.000 0.000 0.259 7 T C 1.494 176.275 174.700 0.135 0.000 1.092 7 T CA 0.949 63.150 62.100 0.168 0.000 1.121 7 T CB -0.009 68.936 68.868 0.127 0.000 0.912 7 T HN 1.194 nan 8.240 nan 0.000 0.489 8 G N 1.259 110.146 108.800 0.144 0.000 2.232 8 G HA2 -0.002 3.958 3.960 0.000 0.000 0.226 8 G HA3 -0.002 3.958 3.960 0.000 0.000 0.226 8 G C 0.360 175.278 174.900 0.030 0.000 0.996 8 G CA -0.136 45.003 45.100 0.064 0.000 0.626 8 G HN 1.144 nan 8.290 nan 0.000 0.509 9 A N 1.018 123.869 122.820 0.051 0.000 2.462 9 A HA 0.630 4.950 4.320 0.000 0.000 0.243 9 A C 0.826 178.410 177.584 -0.001 0.000 1.076 9 A CA 0.162 52.217 52.037 0.029 0.000 0.773 9 A CB 0.209 19.237 19.000 0.046 0.000 1.010 9 A HN 0.837 nan 8.150 nan 0.000 0.493 10 L N 2.043 123.254 121.223 -0.021 0.000 2.436 10 L HA 0.233 4.573 4.340 0.000 0.000 0.265 10 L C 0.121 176.964 176.870 -0.045 0.000 1.168 10 L CA -0.265 54.544 54.840 -0.052 0.000 0.815 10 L CB 0.700 42.734 42.059 -0.043 0.000 1.109 10 L HN 0.571 nan 8.230 nan 0.000 0.462 11 I N 1.822 122.345 120.570 -0.078 0.000 2.421 11 I HA 0.048 4.218 4.170 0.000 0.000 0.291 11 I C 0.513 176.614 176.117 -0.027 0.000 1.089 11 I CA 0.064 61.334 61.300 -0.050 0.000 1.354 11 I CB 0.601 38.553 38.000 -0.080 0.000 1.413 11 I HN 0.637 nan 8.210 nan 0.000 0.513 12 T N 5.082 119.633 114.554 -0.006 0.000 2.925 12 T HA 0.588 4.938 4.350 0.000 0.000 0.285 12 T C -2.404 172.306 174.700 0.016 0.000 1.021 12 T CA -2.018 60.083 62.100 0.002 0.000 1.042 12 T CB 1.810 70.680 68.868 0.002 0.000 1.037 12 T HN 0.261 nan 8.240 nan 0.000 0.481 13 P HA 0.328 nan 4.420 nan 0.000 0.276 13 P C 0.143 177.459 177.300 0.027 0.000 1.261 13 P CA -0.666 62.450 63.100 0.027 0.000 0.800 13 P CB 0.894 32.609 31.700 0.025 0.000 1.066 14 C N -0.028 119.291 119.300 0.032 0.000 2.524 14 C HA 0.416 4.876 4.460 0.000 0.000 0.284 14 C C 1.421 176.423 174.990 0.020 0.000 1.346 14 C CA 1.009 60.043 59.018 0.027 0.000 1.739 14 C CB -0.626 27.133 27.740 0.032 0.000 2.119 14 C HN 0.673 nan 8.230 nan 0.000 0.501 15 A N -0.220 122.614 122.820 0.022 0.000 2.437 15 A HA 0.783 5.103 4.320 0.000 0.000 0.292 15 A C -0.441 177.160 177.584 0.028 0.000 1.173 15 A CA 0.085 52.135 52.037 0.022 0.000 0.785 15 A CB 0.137 19.150 19.000 0.021 0.000 1.351 15 A HN 0.531 nan 8.150 nan 0.000 0.431 16 A N 0.210 123.048 122.820 0.030 0.000 2.540 16 A HA 0.468 4.788 4.320 0.000 0.000 0.239 16 A C 0.002 177.617 177.584 0.052 0.000 1.061 16 A CA 0.375 52.434 52.037 0.037 0.000 0.758 16 A CB -0.383 18.638 19.000 0.035 0.000 0.991 16 A HN 0.677 nan 8.150 nan 0.000 0.502 17 E N 1.536 121.772 120.200 0.061 0.000 2.183 17 E HA 0.364 4.714 4.350 0.000 0.000 0.271 17 E C -0.876 175.794 176.600 0.117 0.000 0.919 17 E CA -0.518 55.931 56.400 0.083 0.000 0.781 17 E CB 1.612 31.352 29.700 0.067 0.000 1.140 17 E HN 0.752 nan 8.360 nan 0.000 0.402 18 E N 0.998 121.307 120.200 0.182 0.000 2.216 18 E HA 0.162 4.512 4.350 0.000 0.000 0.279 18 E C 0.090 176.886 176.600 0.327 0.000 0.997 18 E CA -0.253 56.291 56.400 0.239 0.000 0.817 18 E CB 1.390 31.265 29.700 0.291 0.000 1.096 18 E HN 0.550 nan 8.360 nan 0.000 0.393 19 S N 0.520 116.390 115.700 0.285 0.000 2.506 19 S HA 0.083 4.553 4.470 0.000 0.000 0.219 19 S C 1.019 175.866 174.600 0.412 0.000 1.031 19 S CA -0.335 58.060 58.200 0.326 0.000 0.911 19 S CB -0.053 63.282 63.200 0.226 0.000 0.812 19 S HN 0.433 nan 8.310 nan 0.000 0.497 20 K N 1.874 122.447 120.400 0.287 0.000 2.205 20 K HA 0.667 4.987 4.320 0.000 0.000 0.279 20 K C -0.399 176.230 176.600 0.047 0.000 1.027 20 K CA -0.821 55.581 56.287 0.191 0.000 0.932 20 K CB -0.127 32.429 32.500 0.093 0.000 1.032 20 K HN 0.381 nan 8.250 nan 0.000 0.466 21 L N 3.897 125.135 121.223 0.026 0.000 2.534 21 L HA 0.241 4.581 4.340 0.000 0.000 0.271 21 L C -2.274 174.327 176.870 -0.449 0.000 1.178 21 L CA -1.431 53.236 54.840 -0.288 0.000 0.907 21 L CB 0.326 42.369 42.059 -0.026 0.000 1.164 21 L HN 0.531 nan 8.230 nan 0.000 0.482 22 P HA 0.229 nan 4.420 nan 0.000 0.271 22 P C -1.007 176.056 177.300 -0.396 0.000 1.216 22 P CA -0.085 62.712 63.100 -0.506 0.000 0.776 22 P CB 0.597 31.939 31.700 -0.596 0.000 0.881 23 I N 3.199 123.595 120.570 -0.289 0.000 2.433 23 I HA 0.375 4.545 4.170 0.000 0.000 0.292 23 I C 0.445 176.457 176.117 -0.176 0.000 1.001 23 I CA -0.663 60.469 61.300 -0.281 0.000 1.119 23 I CB 1.372 39.198 38.000 -0.289 0.000 1.289 23 I HN 0.491 nan 8.210 nan 0.000 0.438 24 N N 4.374 122.989 118.700 -0.142 0.000 3.283 24 N HA 0.457 5.197 4.740 0.000 0.000 0.338 24 N C 0.386 175.862 175.510 -0.056 0.000 1.517 24 N CA -0.355 52.644 53.050 -0.086 0.000 0.733 24 N CB 0.591 39.032 38.487 -0.076 0.000 1.797 24 N HN 0.361 nan 8.380 nan 0.000 0.637 25 A N -0.579 122.218 122.820 -0.039 0.000 2.119 25 A HA 0.153 4.473 4.320 0.000 0.000 0.217 25 A C 1.799 179.375 177.584 -0.014 0.000 1.153 25 A CA 0.788 52.811 52.037 -0.023 0.000 0.692 25 A CB -0.902 18.084 19.000 -0.023 0.000 0.799 25 A HN 0.534 nan 8.150 nan 0.000 0.458 26 L N -1.172 120.041 121.223 -0.016 0.000 2.477 26 L HA 0.007 4.347 4.340 0.000 0.000 0.220 26 L C 2.480 179.390 176.870 0.067 0.000 1.106 26 L CA 0.537 55.385 54.840 0.013 0.000 0.851 26 L CB -0.309 41.735 42.059 -0.025 0.000 0.994 26 L HN 0.215 nan 8.230 nan 0.000 0.462 27 S N 0.835 116.547 115.700 0.020 0.000 2.359 27 S HA -0.196 4.274 4.470 0.000 0.000 0.223 27 S C 1.730 176.392 174.600 0.103 0.000 1.039 27 S CA 1.789 60.000 58.200 0.019 0.000 1.042 27 S CB -0.340 62.783 63.200 -0.128 0.000 0.915 27 S HN 0.468 nan 8.310 nan 0.000 0.439 28 N N 1.307 120.081 118.700 0.125 0.000 2.381 28 N HA -0.044 4.696 4.740 0.000 0.000 0.182 28 N C 1.901 177.442 175.510 0.052 0.000 1.025 28 N CA 1.190 54.316 53.050 0.127 0.000 0.888 28 N CB -0.496 38.046 38.487 0.092 0.000 0.965 28 N HN 0.594 nan 8.380 nan 0.000 0.438 29 S N -0.205 115.525 115.700 0.050 0.000 2.423 29 S HA -0.063 4.407 4.470 0.000 0.000 0.231 29 S C 1.836 176.469 174.600 0.054 0.000 1.014 29 S CA 0.468 58.677 58.200 0.015 0.000 0.965 29 S CB -0.237 62.992 63.200 0.048 0.000 0.785 29 S HN 0.195 nan 8.310 nan 0.000 0.495 30 L N 1.132 122.388 121.223 0.056 0.000 2.130 30 L HA 0.539 4.879 4.340 0.000 0.000 0.200 30 L C 0.307 177.229 176.870 0.087 0.000 1.075 30 L CA 1.038 55.885 54.840 0.012 0.000 0.768 30 L CB -0.165 41.687 42.059 -0.345 0.000 0.933 30 L HN 0.657 nan 8.230 nan 0.000 0.451 31 L N -5.535 115.727 121.223 0.065 0.000 2.556 31 L HA 0.690 5.030 4.340 0.000 0.000 0.257 31 L C 0.085 176.967 176.870 0.020 0.000 0.955 31 L CA -0.403 54.457 54.840 0.033 0.000 0.850 31 L CB 1.650 43.742 42.059 0.056 0.000 1.398 31 L HN -0.176 nan 8.230 nan 0.000 0.412 32 R N 0.280 120.673 120.500 -0.178 0.000 2.279 32 R HA 0.279 4.619 4.340 0.000 0.000 0.195 32 R C 0.524 176.613 176.300 -0.351 0.000 0.905 32 R CA 0.936 56.858 56.100 -0.296 0.000 1.044 32 R CB -0.925 29.246 30.300 -0.216 0.000 1.056 32 R HN 0.870 nan 8.270 nan 0.000 0.535 33 H N 0.438 119.419 119.070 -0.147 0.000 2.745 33 H HA 0.243 4.799 4.556 0.000 0.000 0.235 33 H C 0.237 175.575 175.328 0.016 0.000 1.815 33 H CA -0.476 55.518 56.048 -0.090 0.000 1.321 33 H CB -0.035 29.720 29.762 -0.011 0.000 1.716 33 H HN 0.634 nan 8.280 nan 0.000 0.546 34 H N 0.933 120.093 119.070 0.150 0.000 2.421 34 H HA -0.155 4.401 4.556 0.000 0.000 0.298 34 H C 1.937 177.339 175.328 0.124 0.000 1.087 34 H CA 0.918 57.030 56.048 0.107 0.000 1.330 34 H CB 0.342 30.142 29.762 0.062 0.000 1.388 34 H HN 0.627 nan 8.280 nan 0.000 0.526 35 N N 1.119 119.949 118.700 0.216 0.000 2.550 35 N HA -0.112 4.628 4.740 0.000 0.000 0.186 35 N C 1.304 176.921 175.510 0.178 0.000 1.110 35 N CA 0.720 53.870 53.050 0.167 0.000 0.912 35 N CB -0.217 38.331 38.487 0.102 0.000 0.968 35 N HN 0.428 nan 8.380 nan 0.000 0.448 36 M N 0.152 119.871 119.600 0.199 0.000 2.558 36 M HA 0.105 4.585 4.480 0.000 0.000 0.255 36 M C -0.089 176.382 176.300 0.285 0.000 1.113 36 M CA 0.314 55.740 55.300 0.210 0.000 1.097 36 M CB 0.466 33.181 32.600 0.191 0.000 1.426 36 M HN -0.114 nan 8.290 nan 0.000 0.488 37 V N 0.988 121.080 119.914 0.296 0.000 2.435 37 V HA 0.343 4.463 4.120 0.000 0.000 0.290 37 V C -0.845 175.499 176.094 0.417 0.000 1.030 37 V CA -0.764 61.722 62.300 0.309 0.000 0.881 37 V CB 1.005 32.987 31.823 0.265 0.000 0.983 37 V HN 0.303 nan 8.190 nan 0.000 0.445 38 Y N 2.518 122.971 120.300 0.255 0.000 2.588 38 Y HA 0.918 5.468 4.550 0.000 0.000 0.343 38 Y C -0.409 175.574 175.900 0.138 0.000 1.065 38 Y CA -1.462 56.792 58.100 0.257 0.000 1.038 38 Y CB 1.504 40.077 38.460 0.190 0.000 1.297 38 Y HN 0.707 nan 8.280 nan 0.000 0.467 39 A N 1.569 124.452 122.820 0.104 0.000 2.325 39 A HA 0.687 5.007 4.320 0.000 0.000 0.333 39 A C -0.018 177.627 177.584 0.101 0.000 1.155 39 A CA -0.349 51.551 52.037 -0.229 0.000 0.814 39 A CB 0.429 19.070 19.000 -0.599 0.000 1.206 39 A HN 1.087 nan 8.150 nan 0.000 0.482 40 T N -0.100 114.499 114.554 0.074 0.000 2.918 40 T HA 0.552 4.902 4.350 0.000 0.000 0.302 40 T C 0.347 175.097 174.700 0.083 0.000 1.045 40 T CA 0.375 62.584 62.100 0.180 0.000 1.114 40 T CB 0.737 69.742 68.868 0.228 0.000 0.965 40 T HN 1.444 nan 8.240 nan 0.000 0.540 41 T N -1.803 112.807 114.554 0.093 0.000 2.865 41 T HA 0.481 4.831 4.350 0.000 0.000 0.294 41 T C 1.437 176.164 174.700 0.045 0.000 1.119 41 T CA -0.218 61.918 62.100 0.060 0.000 1.007 41 T CB 1.337 70.247 68.868 0.070 0.000 1.225 41 T HN 0.792 nan 8.240 nan 0.000 0.515 42 S N 0.444 116.162 115.700 0.030 0.000 2.440 42 S HA -0.144 4.326 4.470 0.000 0.000 0.238 42 S C 1.743 176.342 174.600 -0.001 0.000 1.010 42 S CA 0.322 58.529 58.200 0.012 0.000 0.972 42 S CB -0.581 62.625 63.200 0.010 0.000 0.774 42 S HN 0.637 nan 8.310 nan 0.000 0.501 43 R N 1.925 122.431 120.500 0.011 0.000 2.293 43 R HA 0.078 4.418 4.340 0.000 0.000 0.219 43 R C 2.175 178.470 176.300 -0.009 0.000 1.091 43 R CA 1.143 57.243 56.100 0.001 0.000 1.004 43 R CB -1.337 28.971 30.300 0.013 0.000 0.865 43 R HN 0.793 nan 8.270 nan 0.000 0.469 44 S N -1.422 114.278 115.700 0.000 0.000 2.539 44 S HA 0.277 4.747 4.470 0.000 0.000 0.221 44 S C 1.723 176.304 174.600 -0.032 0.000 0.987 44 S CA 0.182 58.377 58.200 -0.009 0.000 0.929 44 S CB 0.599 63.810 63.200 0.019 0.000 0.832 44 S HN 0.186 nan 8.310 nan 0.000 0.492 45 A N 1.919 124.709 122.820 -0.049 0.000 1.972 45 A HA 0.204 4.524 4.320 0.000 0.000 0.219 45 A C 2.216 179.705 177.584 -0.158 0.000 1.169 45 A CA 1.445 53.429 52.037 -0.088 0.000 0.635 45 A CB -1.553 17.390 19.000 -0.095 0.000 0.810 45 A HN 0.658 nan 8.150 nan 0.000 0.446 46 G N -0.141 108.564 108.800 -0.159 0.000 2.432 46 G HA2 -0.145 3.815 3.960 0.000 0.000 0.219 46 G HA3 -0.145 3.815 3.960 0.000 0.000 0.219 46 G C 1.474 176.283 174.900 -0.152 0.000 1.135 46 G CA 0.975 45.955 45.100 -0.200 0.000 0.767 46 G HN 0.449 nan 8.290 nan 0.000 0.550 47 L N -0.319 120.848 121.223 -0.093 0.000 2.056 47 L HA -0.005 4.335 4.340 0.000 0.000 0.207 47 L C 2.893 179.735 176.870 -0.046 0.000 1.078 47 L CA 1.254 56.059 54.840 -0.058 0.000 0.749 47 L CB -0.432 41.606 42.059 -0.035 0.000 0.901 47 L HN 0.178 nan 8.230 nan 0.000 0.433 48 R N 0.690 121.158 120.500 -0.054 0.000 2.066 48 R HA -0.140 4.200 4.340 0.000 0.000 0.232 48 R C 2.272 178.544 176.300 -0.048 0.000 1.131 48 R CA 1.494 57.578 56.100 -0.027 0.000 0.955 48 R CB -0.435 29.852 30.300 -0.021 0.000 0.851 48 R HN 0.329 nan 8.270 nan 0.000 0.432 49 Q N 0.251 119.948 119.800 -0.171 0.000 2.096 49 Q HA -0.262 4.078 4.340 0.000 0.000 0.208 49 Q C 2.040 178.009 176.000 -0.051 0.000 0.993 49 Q CA 2.261 57.905 55.803 -0.266 0.000 0.862 49 Q CB -0.271 28.011 28.738 -0.761 0.000 0.915 49 Q HN 0.321 nan 8.270 nan 0.000 0.416 50 K N 1.097 121.463 120.400 -0.057 0.000 2.032 50 K HA -0.212 4.108 4.320 0.000 0.000 0.209 50 K C 1.890 178.566 176.600 0.126 0.000 1.048 50 K CA 1.537 57.848 56.287 0.040 0.000 0.927 50 K CB 0.048 32.552 32.500 0.007 0.000 0.712 50 K HN 0.060 nan 8.250 nan 0.000 0.441 51 K N 0.229 120.696 120.400 0.113 0.000 2.097 51 K HA -0.119 4.201 4.320 0.000 0.000 0.206 51 K C 1.936 178.730 176.600 0.323 0.000 1.049 51 K CA 1.670 58.062 56.287 0.174 0.000 0.933 51 K CB -0.056 32.520 32.500 0.126 0.000 0.717 51 K HN 0.240 nan 8.250 nan 0.000 0.442 52 V N -1.622 118.459 119.914 0.277 0.000 3.608 52 V HA 0.049 4.169 4.120 0.000 0.000 0.269 52 V C 0.444 176.633 176.094 0.158 0.000 1.245 52 V CA 0.226 62.712 62.300 0.309 0.000 1.138 52 V CB 0.008 31.974 31.823 0.238 0.000 0.841 52 V HN -0.032 nan 8.190 nan 0.000 0.451 53 T N 4.637 119.349 114.554 0.264 0.000 2.762 53 T HA 0.691 5.041 4.350 0.000 0.000 0.303 53 T C -0.734 174.077 174.700 0.186 0.000 0.977 53 T CA 0.014 62.235 62.100 0.201 0.000 0.961 53 T CB -0.057 69.059 68.868 0.413 0.000 0.944 53 T HN 0.631 nan 8.240 nan 0.000 0.481 54 F N -0.383 119.643 119.950 0.126 0.000 2.741 54 F HA 0.626 5.153 4.527 0.000 0.000 0.311 54 F C -1.008 174.811 175.800 0.032 0.000 1.149 54 F CA -1.791 56.245 58.000 0.060 0.000 0.930 54 F CB 0.607 39.644 39.000 0.062 0.000 1.312 54 F HN 0.160 nan 8.300 nan 0.000 0.450 55 D N 0.788 121.361 120.400 0.288 0.000 2.345 55 D HA 0.457 5.097 4.640 0.000 0.000 0.247 55 D C -0.820 175.664 176.300 0.307 0.000 1.108 55 D CA 0.124 54.255 54.000 0.219 0.000 0.894 55 D CB 0.778 41.697 40.800 0.198 0.000 1.203 55 D HN 0.545 nan 8.370 nan 0.000 0.430 56 R N 2.384 123.015 120.500 0.218 0.000 2.387 56 R HA 0.515 4.855 4.340 0.000 0.000 0.314 56 R C -0.989 175.333 176.300 0.036 0.000 0.958 56 R CA -0.734 55.466 56.100 0.167 0.000 0.846 56 R CB 0.970 31.346 30.300 0.127 0.000 1.147 56 R HN 0.284 nan 8.270 nan 0.000 0.447 57 L N 2.208 123.431 121.223 -0.000 0.000 2.329 57 L HA 0.518 4.858 4.340 0.000 0.000 0.279 57 L C -0.477 176.344 176.870 -0.082 0.000 1.014 57 L CA -0.299 54.489 54.840 -0.088 0.000 0.814 57 L CB 1.651 43.676 42.059 -0.057 0.000 1.257 57 L HN 0.598 nan 8.230 nan 0.000 0.424 58 Q N 1.972 121.699 119.800 -0.122 0.000 2.304 58 Q HA 0.722 5.062 4.340 0.000 0.000 0.270 58 Q C -1.658 174.279 176.000 -0.104 0.000 1.035 58 Q CA -0.580 55.164 55.803 -0.099 0.000 0.781 58 Q CB 2.540 31.212 28.738 -0.109 0.000 1.261 58 Q HN 0.462 nan 8.270 nan 0.000 0.444 59 V N 2.975 122.842 119.914 -0.079 0.000 2.409 59 V HA 0.542 4.662 4.120 0.000 0.000 0.290 59 V C -0.664 175.411 176.094 -0.032 0.000 1.017 59 V CA -0.778 61.480 62.300 -0.070 0.000 0.841 59 V CB 1.074 32.854 31.823 -0.071 0.000 1.003 59 V HN 0.656 nan 8.190 nan 0.000 0.426 60 L N 5.425 126.598 121.223 -0.083 0.000 2.319 60 L HA 0.672 5.012 4.340 0.000 0.000 0.281 60 L C -0.313 176.560 176.870 0.004 0.000 1.005 60 L CA -0.418 54.337 54.840 -0.141 0.000 0.828 60 L CB 1.682 43.487 42.059 -0.423 0.000 1.227 60 L HN 0.831 nan 8.230 nan 0.000 0.415 61 D N 0.612 121.091 120.400 0.132 0.000 2.616 61 D HA 0.153 4.793 4.640 0.000 0.000 0.260 61 D C 0.223 176.590 176.300 0.112 0.000 1.158 61 D CA -0.578 53.486 54.000 0.106 0.000 1.085 61 D CB 0.961 41.830 40.800 0.114 0.000 1.222 61 D HN 0.292 nan 8.370 nan 0.000 0.626 62 D N -1.134 119.270 120.400 0.007 0.000 2.178 62 D HA -0.142 4.498 4.640 0.000 0.000 0.202 62 D C 1.751 178.049 176.300 -0.002 0.000 0.974 62 D CA 1.037 55.017 54.000 -0.034 0.000 0.841 62 D CB -0.057 40.674 40.800 -0.116 0.000 0.953 62 D HN 0.407 nan 8.370 nan 0.000 0.478 63 H N -0.239 118.895 119.070 0.106 0.000 2.353 63 H HA -0.148 4.408 4.556 0.000 0.000 0.300 63 H C 1.998 177.365 175.328 0.065 0.000 1.090 63 H CA 0.889 56.991 56.048 0.089 0.000 1.327 63 H CB -0.630 29.211 29.762 0.131 0.000 1.383 63 H HN 0.326 nan 8.280 nan 0.000 0.508 64 Y N 1.898 122.247 120.300 0.082 0.000 2.097 64 Y HA -0.232 4.318 4.550 0.000 0.000 0.282 64 Y C 2.744 178.592 175.900 -0.086 0.000 1.152 64 Y CA 1.659 59.678 58.100 -0.135 0.000 1.136 64 Y CB -0.092 38.203 38.460 -0.274 0.000 0.975 64 Y HN -0.055 nan 8.280 nan 0.000 0.498 65 R N 0.083 120.652 120.500 0.115 0.000 2.096 65 R HA -0.166 4.174 4.340 0.000 0.000 0.235 65 R C 1.789 178.058 176.300 -0.052 0.000 1.127 65 R CA 1.541 57.649 56.100 0.013 0.000 0.968 65 R CB -0.361 29.985 30.300 0.077 0.000 0.861 65 R HN 0.413 nan 8.270 nan 0.000 0.440 66 D N 0.006 120.398 120.400 -0.014 0.000 2.092 66 D HA -0.132 4.508 4.640 0.000 0.000 0.193 66 D C 1.950 178.226 176.300 -0.041 0.000 0.994 66 D CA 1.135 55.130 54.000 -0.009 0.000 0.828 66 D CB -0.269 40.555 40.800 0.040 0.000 0.963 66 D HN -0.027 nan 8.370 nan 0.000 0.450 67 V N 0.967 120.837 119.914 -0.073 0.000 2.343 67 V HA -0.208 3.912 4.120 0.000 0.000 0.247 67 V C 2.428 178.437 176.094 -0.141 0.000 1.051 67 V CA 1.070 63.303 62.300 -0.111 0.000 1.036 67 V CB -0.440 31.277 31.823 -0.177 0.000 0.654 67 V HN 0.149 nan 8.190 nan 0.000 0.451 68 L N 0.478 121.557 121.223 -0.239 0.000 2.046 68 L HA -0.155 4.185 4.340 0.000 0.000 0.208 68 L C 2.403 179.203 176.870 -0.118 0.000 1.077 68 L CA 2.206 56.907 54.840 -0.231 0.000 0.747 68 L CB -0.840 41.015 42.059 -0.340 0.000 0.896 68 L HN 0.270 nan 8.230 nan 0.000 0.432 69 K N -0.441 119.907 120.400 -0.086 0.000 2.063 69 K HA -0.224 4.096 4.320 0.000 0.000 0.208 69 K C 1.937 178.518 176.600 -0.032 0.000 1.048 69 K CA 1.963 58.221 56.287 -0.048 0.000 0.928 69 K CB -0.117 32.365 32.500 -0.031 0.000 0.713 69 K HN 0.503 nan 8.250 nan 0.000 0.442 70 E N 0.188 120.372 120.200 -0.025 0.000 2.051 70 E HA -0.209 4.141 4.350 0.000 0.000 0.192 70 E C 2.115 178.716 176.600 0.002 0.000 0.991 70 E CA 1.741 58.139 56.400 -0.004 0.000 0.799 70 E CB -0.105 29.602 29.700 0.011 0.000 0.748 70 E HN 0.340 nan 8.360 nan 0.000 0.449 71 M N 0.736 120.336 119.600 -0.000 0.000 2.080 71 M HA -0.210 4.270 4.480 0.000 0.000 0.260 71 M C 2.172 178.454 176.300 -0.030 0.000 1.068 71 M CA 1.574 56.873 55.300 -0.001 0.000 1.109 71 M CB -0.230 32.372 32.600 0.004 0.000 1.342 71 M HN -0.041 nan 8.290 nan 0.000 0.405 72 K N 0.266 120.642 120.400 -0.040 0.000 2.103 72 K HA -0.139 4.181 4.320 0.000 0.000 0.207 72 K C 2.110 178.696 176.600 -0.024 0.000 1.048 72 K CA 1.485 57.750 56.287 -0.037 0.000 0.930 72 K CB -0.365 32.111 32.500 -0.040 0.000 0.716 72 K HN 0.338 nan 8.250 nan 0.000 0.444 73 A N 2.136 124.945 122.820 -0.019 0.000 1.908 73 A HA -0.212 4.108 4.320 0.000 0.000 0.218 73 A C 1.935 179.510 177.584 -0.014 0.000 1.181 73 A CA 1.565 53.595 52.037 -0.012 0.000 0.627 73 A CB -0.276 18.720 19.000 -0.007 0.000 0.818 73 A HN 0.203 nan 8.150 nan 0.000 0.445 74 K N -0.402 119.987 120.400 -0.018 0.000 2.025 74 K HA -0.035 4.285 4.320 0.000 0.000 0.207 74 K C 2.317 178.898 176.600 -0.032 0.000 1.049 74 K CA 1.095 57.367 56.287 -0.026 0.000 0.933 74 K CB -0.384 32.093 32.500 -0.037 0.000 0.714 74 K HN 0.424 nan 8.250 nan 0.000 0.438 75 A N 1.480 124.280 122.820 -0.033 0.000 1.978 75 A HA -0.138 4.182 4.320 0.000 0.000 0.220 75 A C 2.099 179.676 177.584 -0.012 0.000 1.170 75 A CA 1.729 53.750 52.037 -0.027 0.000 0.636 75 A CB -0.462 18.525 19.000 -0.022 0.000 0.810 75 A HN 0.198 nan 8.150 nan 0.000 0.448 76 S N -0.328 115.366 115.700 -0.010 0.000 2.547 76 S HA -0.081 4.389 4.470 0.000 0.000 0.235 76 S C 1.842 176.440 174.600 -0.004 0.000 0.980 76 S CA 1.421 59.619 58.200 -0.003 0.000 0.941 76 S CB -0.484 62.715 63.200 -0.003 0.000 0.763 76 S HN 0.908 nan 8.310 nan 0.000 0.532 77 T N -1.055 113.494 114.554 -0.010 0.000 3.081 77 T HA 0.186 4.536 4.350 0.000 0.000 0.255 77 T C 0.546 175.239 174.700 -0.012 0.000 1.113 77 T CA -0.081 62.013 62.100 -0.010 0.000 1.082 77 T CB -0.250 68.609 68.868 -0.014 0.000 0.939 77 T HN 0.042 nan 8.240 nan 0.000 0.506 78 V N 2.144 122.050 119.914 -0.013 0.000 2.530 78 V HA 0.383 4.503 4.120 0.000 0.000 0.282 78 V C 0.114 176.206 176.094 -0.003 0.000 1.048 78 V CA -0.707 61.584 62.300 -0.015 0.000 0.997 78 V CB 1.151 32.961 31.823 -0.022 0.000 0.987 78 V HN 0.418 nan 8.190 nan 0.000 0.477 79 K N 3.825 124.224 120.400 -0.003 0.000 2.244 79 K HA 0.786 5.106 4.320 0.000 0.000 0.260 79 K C -0.734 175.870 176.600 0.006 0.000 0.951 79 K CA -0.438 55.852 56.287 0.006 0.000 0.826 79 K CB 1.617 34.121 32.500 0.006 0.000 1.108 79 K HN 0.808 nan 8.250 nan 0.000 0.433 80 A N 3.798 126.627 122.820 0.015 0.000 2.414 80 A HA 0.486 4.806 4.320 0.000 0.000 0.306 80 A C -1.454 176.148 177.584 0.031 0.000 1.054 80 A CA -0.945 51.102 52.037 0.017 0.000 0.724 80 A CB 1.122 20.130 19.000 0.013 0.000 1.267 80 A HN 0.824 nan 8.150 nan 0.000 0.418 81 K N 1.937 122.358 120.400 0.035 0.000 2.164 81 K HA 0.644 4.964 4.320 0.000 0.000 0.258 81 K C -1.186 175.443 176.600 0.050 0.000 0.951 81 K CA -0.724 55.586 56.287 0.039 0.000 0.844 81 K CB 1.343 33.861 32.500 0.031 0.000 1.099 81 K HN 0.391 nan 8.250 nan 0.000 0.435 82 L N 3.512 124.761 121.223 0.043 0.000 2.455 82 L HA 0.126 4.466 4.340 0.000 0.000 0.272 82 L C -0.490 176.367 176.870 -0.020 0.000 1.174 82 L CA -0.097 54.758 54.840 0.026 0.000 0.869 82 L CB 0.188 42.261 42.059 0.023 0.000 1.130 82 L HN 0.647 nan 8.230 nan 0.000 0.474 83 L N 3.424 124.623 121.223 -0.040 0.000 2.417 83 L HA 0.289 4.629 4.340 0.000 0.000 0.268 83 L C 0.723 177.491 176.870 -0.171 0.000 1.158 83 L CA 0.427 55.218 54.840 -0.081 0.000 0.819 83 L CB 1.039 43.055 42.059 -0.072 0.000 1.112 83 L HN 0.849 nan 8.230 nan 0.000 0.458 84 S N 1.361 116.971 115.700 -0.149 0.000 2.614 84 S HA 0.220 4.690 4.470 0.000 0.000 0.265 84 S C 1.282 175.749 174.600 -0.222 0.000 1.303 84 S CA -0.624 57.470 58.200 -0.178 0.000 1.000 84 S CB 0.866 63.998 63.200 -0.115 0.000 0.935 84 S HN 0.331 nan 8.310 nan 0.000 0.551 85 V N 2.172 121.933 119.914 -0.255 0.000 2.287 85 V HA -0.144 3.976 4.120 0.000 0.000 0.248 85 V C 3.334 179.310 176.094 -0.196 0.000 1.053 85 V CA 2.720 64.847 62.300 -0.287 0.000 1.027 85 V CB -2.124 29.449 31.823 -0.417 0.000 0.646 85 V HN 1.033 nan 8.190 nan 0.000 0.447 86 E N -0.046 120.068 120.200 -0.144 0.000 2.058 86 E HA -0.339 4.011 4.350 0.000 0.000 0.194 86 E C 1.972 178.502 176.600 -0.116 0.000 0.997 86 E CA 1.766 58.099 56.400 -0.111 0.000 0.801 86 E CB -0.747 28.905 29.700 -0.080 0.000 0.746 86 E HN 0.811 nan 8.360 nan 0.000 0.450 87 E N -0.207 119.920 120.200 -0.122 0.000 2.058 87 E HA -0.089 4.261 4.350 0.000 0.000 0.194 87 E C 2.487 178.981 176.600 -0.176 0.000 0.997 87 E CA 1.030 57.349 56.400 -0.134 0.000 0.801 87 E CB -0.235 29.392 29.700 -0.122 0.000 0.746 87 E HN 0.558 nan 8.360 nan 0.000 0.450 88 A N 0.677 123.388 122.820 -0.181 0.000 1.898 88 A HA -0.182 4.138 4.320 0.000 0.000 0.216 88 A C 2.431 179.920 177.584 -0.159 0.000 1.181 88 A CA 1.148 53.072 52.037 -0.188 0.000 0.620 88 A CB -0.836 18.066 19.000 -0.163 0.000 0.819 88 A HN 0.374 nan 8.150 nan 0.000 0.442 89 C N -0.238 118.980 119.300 -0.137 0.000 2.413 89 C HA -0.085 4.375 4.460 0.000 0.000 0.276 89 C C 2.594 177.520 174.990 -0.106 0.000 1.248 89 C CA 1.287 60.240 59.018 -0.109 0.000 1.742 89 C CB -0.775 26.902 27.740 -0.105 0.000 2.017 89 C HN 0.471 nan 8.230 nan 0.000 0.481 90 K N 0.737 121.071 120.400 -0.110 0.000 2.365 90 K HA 0.093 4.413 4.320 0.000 0.000 0.199 90 K C 1.520 178.074 176.600 -0.076 0.000 1.045 90 K CA 0.816 57.053 56.287 -0.083 0.000 0.962 90 K CB -0.413 32.042 32.500 -0.075 0.000 0.759 90 K HN 0.554 nan 8.250 nan 0.000 0.469 91 L N 0.998 122.131 121.223 -0.149 0.000 2.599 91 L HA -0.004 4.336 4.340 0.000 0.000 0.230 91 L C 0.375 177.166 176.870 -0.133 0.000 1.141 91 L CA 0.238 54.964 54.840 -0.189 0.000 0.877 91 L CB -0.347 41.482 42.059 -0.383 0.000 1.009 91 L HN -0.099 nan 8.230 nan 0.000 0.447 92 T N 1.560 116.047 114.554 -0.112 0.000 2.814 92 T HA 0.202 4.552 4.350 0.000 0.000 0.297 92 T C -2.280 172.304 174.700 -0.194 0.000 0.956 92 T CA -1.112 60.917 62.100 -0.119 0.000 1.123 92 T CB 0.938 69.749 68.868 -0.095 0.000 0.902 92 T HN -0.130 nan 8.240 nan 0.000 0.528 93 P HA 0.129 nan 4.420 nan 0.000 0.268 93 P C -1.870 175.166 177.300 -0.441 0.000 1.205 93 P CA -1.337 61.538 63.100 -0.375 0.000 0.771 93 P CB 0.175 31.776 31.700 -0.166 0.000 0.858 94 P HA -0.168 nan 4.420 nan 0.000 0.218 94 P C 0.803 177.828 177.300 -0.458 0.000 1.148 94 P CA 1.693 64.451 63.100 -0.570 0.000 0.822 94 P CB -0.135 31.130 31.700 -0.725 0.000 0.784 95 H N -2.023 116.933 119.070 -0.190 0.000 2.529 95 H HA 0.230 4.786 4.556 0.000 0.000 0.277 95 H C 0.693 175.947 175.328 -0.124 0.000 1.004 95 H CA -0.114 55.857 56.048 -0.127 0.000 1.167 95 H CB -0.245 29.455 29.762 -0.104 0.000 1.445 95 H HN 0.081 nan 8.280 nan 0.000 0.554 96 S N 0.962 116.625 115.700 -0.062 0.000 2.559 96 S HA 0.197 4.667 4.470 0.000 0.000 0.282 96 S C 0.635 175.193 174.600 -0.070 0.000 1.336 96 S CA -0.317 57.831 58.200 -0.087 0.000 1.037 96 S CB 0.334 63.478 63.200 -0.093 0.000 0.853 96 S HN 0.487 nan 8.310 nan 0.000 0.523 97 A N 4.503 127.256 122.820 -0.112 0.000 2.520 97 A HA 0.265 4.585 4.320 0.000 0.000 0.245 97 A C 0.550 178.125 177.584 -0.014 0.000 1.072 97 A CA -0.274 51.726 52.037 -0.062 0.000 0.761 97 A CB -0.149 18.799 19.000 -0.087 0.000 1.004 97 A HN 0.858 nan 8.150 nan 0.000 0.499 98 K N 2.329 122.717 120.400 -0.020 0.000 2.380 98 K HA 0.247 4.567 4.320 0.000 0.000 0.267 98 K C 0.368 176.901 176.600 -0.113 0.000 0.990 98 K CA 0.065 56.311 56.287 -0.068 0.000 0.946 98 K CB 0.325 32.784 32.500 -0.068 0.000 0.937 98 K HN 0.433 nan 8.250 nan 0.000 0.491 99 S N 0.612 116.135 115.700 -0.295 0.000 2.573 99 S HA 0.138 4.608 4.470 0.000 0.000 0.277 99 S C 1.404 175.814 174.600 -0.317 0.000 1.346 99 S CA 0.262 58.238 58.200 -0.373 0.000 1.034 99 S CB 0.701 63.283 63.200 -1.031 0.000 0.879 99 S HN 0.717 nan 8.310 nan 0.000 0.528 100 K N 3.006 123.210 120.400 -0.327 0.000 2.439 100 K HA 0.120 4.440 4.320 0.000 0.000 0.197 100 K C 0.797 176.980 176.600 -0.695 0.000 1.041 100 K CA 1.253 57.226 56.287 -0.523 0.000 0.970 100 K CB -0.715 31.385 32.500 -0.667 0.000 0.773 100 K HN 0.774 nan 8.250 nan 0.000 0.479 101 F N -0.048 119.717 119.950 -0.307 0.000 2.668 101 F HA 0.396 4.923 4.527 -0.000 0.000 0.297 101 F C 1.496 177.176 175.800 -0.200 0.000 1.124 101 F CA 0.053 57.878 58.000 -0.292 0.000 1.353 101 F CB 0.511 39.198 39.000 -0.522 0.000 0.992 101 F HN 0.271 nan 8.300 nan 0.000 0.524 102 G N 0.227 108.959 108.800 -0.114 0.000 2.135 102 G HA2 -0.233 3.727 3.960 0.000 0.000 0.183 102 G HA3 -0.233 3.727 3.960 0.000 0.000 0.183 102 G C -0.384 174.585 174.900 0.116 0.000 1.004 102 G CA -0.095 45.012 45.100 0.012 0.000 0.677 102 G HN 0.496 nan 8.290 nan 0.000 0.512 103 Y N -2.102 118.192 120.300 -0.010 0.000 2.638 103 Y HA 0.800 5.350 4.550 0.000 0.000 0.335 103 Y C 0.374 176.276 175.900 0.003 0.000 1.155 103 Y CA -1.141 56.958 58.100 -0.002 0.000 1.046 103 Y CB 0.648 39.111 38.460 0.005 0.000 1.303 103 Y HN 0.635 nan 8.280 nan 0.000 0.460 104 G N -0.193 108.701 108.800 0.157 0.000 2.932 104 G HA2 0.539 4.499 3.960 0.000 0.000 0.283 104 G HA3 0.539 4.499 3.960 0.000 0.000 0.283 104 G C 0.231 175.199 174.900 0.114 0.000 1.336 104 G CA -0.781 44.355 45.100 0.059 0.000 1.056 104 G HN 1.173 nan 8.290 nan 0.000 0.522 105 A N -0.653 122.185 122.820 0.030 0.000 1.933 105 A HA 0.130 4.450 4.320 0.000 0.000 0.218 105 A C 2.605 180.167 177.584 -0.037 0.000 1.175 105 A CA 2.793 54.826 52.037 -0.007 0.000 0.628 105 A CB -1.081 17.873 19.000 -0.077 0.000 0.814 105 A HN 1.160 nan 8.150 nan 0.000 0.444 106 K N 0.289 120.661 120.400 -0.047 0.000 2.044 106 K HA -0.252 4.068 4.320 0.000 0.000 0.210 106 K C 1.654 178.238 176.600 -0.027 0.000 1.049 106 K CA 2.060 58.311 56.287 -0.060 0.000 0.927 106 K CB -1.337 31.135 32.500 -0.047 0.000 0.713 106 K HN 0.677 nan 8.250 nan 0.000 0.443 107 D N 0.210 120.623 120.400 0.022 0.000 2.144 107 D HA -0.106 4.534 4.640 0.000 0.000 0.199 107 D C 2.027 178.319 176.300 -0.013 0.000 0.984 107 D CA 1.552 55.567 54.000 0.024 0.000 0.834 107 D CB -0.157 40.699 40.800 0.094 0.000 0.955 107 D HN 0.225 nan 8.370 nan 0.000 0.465 108 V N 1.483 121.412 119.914 0.024 0.000 2.261 108 V HA -0.225 3.895 4.120 0.000 0.000 0.246 108 V C 2.540 178.600 176.094 -0.057 0.000 1.047 108 V CA 1.565 63.854 62.300 -0.018 0.000 1.015 108 V CB -0.352 31.500 31.823 0.049 0.000 0.642 108 V HN 0.121 nan 8.190 nan 0.000 0.446 109 R N 0.319 120.778 120.500 -0.068 0.000 2.120 109 R HA -0.108 4.232 4.340 0.000 0.000 0.234 109 R C 1.760 178.016 176.300 -0.073 0.000 1.123 109 R CA 1.395 57.441 56.100 -0.090 0.000 0.975 109 R CB -0.388 29.831 30.300 -0.135 0.000 0.866 109 R HN 0.501 nan 8.270 nan 0.000 0.446 110 N N 0.750 119.413 118.700 -0.062 0.000 2.461 110 N HA 0.046 4.786 4.740 0.000 0.000 0.188 110 N C 0.210 175.689 175.510 -0.051 0.000 1.134 110 N CA 0.292 53.311 53.050 -0.051 0.000 0.878 110 N CB 0.058 38.520 38.487 -0.041 0.000 0.972 110 N HN 0.116 nan 8.380 nan 0.000 0.456 111 L N 0.148 121.333 121.223 -0.062 0.000 3.717 111 L HA -0.235 4.105 4.340 0.000 0.000 0.414 111 L C 0.257 177.086 176.870 -0.068 0.000 1.228 111 L CA 0.044 54.841 54.840 -0.070 0.000 0.918 111 L CB -2.612 39.411 42.059 -0.061 0.000 1.865 111 L HN 0.160 nan 8.230 nan 0.000 0.922 112 S N -1.694 113.962 115.700 -0.074 0.000 2.572 112 S HA 0.290 4.760 4.470 0.000 0.000 0.279 112 S C 1.422 175.971 174.600 -0.085 0.000 1.341 112 S CA 0.147 58.308 58.200 -0.066 0.000 1.043 112 S CB 1.787 64.954 63.200 -0.054 0.000 0.887 112 S HN 0.285 nan 8.310 nan 0.000 0.516 113 S N 2.350 118.017 115.700 -0.056 0.000 2.370 113 S HA -0.128 4.342 4.470 0.000 0.000 0.226 113 S C 1.803 176.365 174.600 -0.064 0.000 1.033 113 S CA 1.577 59.750 58.200 -0.045 0.000 1.011 113 S CB -0.496 62.690 63.200 -0.023 0.000 0.852 113 S HN 0.853 nan 8.310 nan 0.000 0.457 114 K N 1.073 121.428 120.400 -0.075 0.000 2.057 114 K HA -0.083 4.237 4.320 0.000 0.000 0.207 114 K C 2.199 178.634 176.600 -0.276 0.000 1.049 114 K CA 1.226 57.461 56.287 -0.086 0.000 0.931 114 K CB -0.317 32.168 32.500 -0.024 0.000 0.714 114 K HN 0.304 nan 8.250 nan 0.000 0.440 115 A N 0.476 123.014 122.820 -0.469 0.000 1.855 115 A HA -0.095 4.225 4.320 0.000 0.000 0.215 115 A C 2.239 179.528 177.584 -0.492 0.000 1.191 115 A CA 1.584 53.040 52.037 -0.968 0.000 0.613 115 A CB -0.751 17.841 19.000 -0.679 0.000 0.829 115 A HN 0.153 nan 8.150 nan 0.000 0.442 116 V N 1.306 121.067 119.914 -0.255 0.000 2.332 116 V HA -0.289 3.831 4.120 0.000 0.000 0.248 116 V C 2.241 178.309 176.094 -0.043 0.000 1.055 116 V CA 2.225 64.433 62.300 -0.152 0.000 1.038 116 V CB -1.020 30.763 31.823 -0.067 0.000 0.651 116 V HN 0.551 nan 8.190 nan 0.000 0.450 117 N N -0.922 117.784 118.700 0.009 0.000 2.244 117 N HA -0.151 4.589 4.740 0.000 0.000 0.183 117 N C 1.843 177.404 175.510 0.085 0.000 1.016 117 N CA 1.265 54.372 53.050 0.095 0.000 0.866 117 N CB -0.482 38.037 38.487 0.054 0.000 0.980 117 N HN 0.669 nan 8.380 nan 0.000 0.430 118 H N 0.828 119.860 119.070 -0.063 0.000 2.363 118 H HA 0.078 4.634 4.556 0.000 0.000 0.301 118 H C 1.994 177.315 175.328 -0.012 0.000 1.074 118 H CA 0.835 56.871 56.048 -0.020 0.000 1.354 118 H CB 0.119 29.925 29.762 0.073 0.000 1.397 118 H HN 0.097 nan 8.280 nan 0.000 0.516 119 I N 0.411 120.921 120.570 -0.100 0.000 2.163 119 I HA -0.305 3.865 4.170 0.000 0.000 0.243 119 I C 2.358 178.393 176.117 -0.137 0.000 1.085 119 I CA 1.532 62.744 61.300 -0.147 0.000 1.347 119 I CB -0.468 37.436 38.000 -0.160 0.000 1.044 119 I HN 0.325 nan 8.210 nan 0.000 0.408 120 H N 0.076 119.115 119.070 -0.052 0.000 2.353 120 H HA -0.190 4.366 4.556 0.000 0.000 0.298 120 H C 2.567 177.907 175.328 0.020 0.000 1.103 120 H CA 2.015 58.061 56.048 -0.003 0.000 1.293 120 H CB -0.125 29.622 29.762 -0.025 0.000 1.372 120 H HN 0.407 nan 8.280 nan 0.000 0.501 121 S N 0.099 115.827 115.700 0.047 0.000 2.368 121 S HA -0.145 4.325 4.470 0.000 0.000 0.224 121 S C 2.306 176.847 174.600 -0.099 0.000 1.029 121 S CA 1.241 59.420 58.200 -0.034 0.000 0.988 121 S CB -0.774 62.379 63.200 -0.079 0.000 0.838 121 S HN 0.175 nan 8.310 nan 0.000 0.462 122 V N 1.137 120.922 119.914 -0.215 0.000 2.287 122 V HA -0.177 3.943 4.120 0.000 0.000 0.248 122 V C 2.269 178.351 176.094 -0.021 0.000 1.053 122 V CA 2.053 64.247 62.300 -0.177 0.000 1.027 122 V CB -1.208 30.475 31.823 -0.234 0.000 0.646 122 V HN 0.719 nan 8.190 nan 0.000 0.447 123 W N 1.206 122.435 121.300 -0.118 0.000 2.333 123 W HA -0.244 4.416 4.660 0.000 0.000 0.316 123 W C 2.575 179.067 176.519 -0.045 0.000 1.215 123 W CA 2.421 59.726 57.345 -0.067 0.000 1.278 123 W CB -0.233 29.198 29.460 -0.049 0.000 1.154 123 W HN 0.223 nan 8.180 nan 0.000 0.486 124 K N 0.493 120.959 120.400 0.111 0.000 2.063 124 K HA -0.271 4.049 4.320 0.000 0.000 0.208 124 K C 1.725 178.270 176.600 -0.091 0.000 1.048 124 K CA 2.265 58.561 56.287 0.014 0.000 0.928 124 K CB -0.633 31.910 32.500 0.071 0.000 0.713 124 K HN 0.039 nan 8.250 nan 0.000 0.442 125 D N 0.353 120.699 120.400 -0.089 0.000 2.149 125 D HA -0.150 4.490 4.640 0.000 0.000 0.198 125 D C 1.996 178.203 176.300 -0.155 0.000 0.990 125 D CA 0.967 54.903 54.000 -0.107 0.000 0.839 125 D CB 0.061 40.801 40.800 -0.099 0.000 0.948 125 D HN 0.191 nan 8.370 nan 0.000 0.460 126 L N -0.139 120.947 121.223 -0.227 0.000 2.083 126 L HA -0.132 4.208 4.340 0.000 0.000 0.209 126 L C 2.458 179.133 176.870 -0.326 0.000 1.083 126 L CA 0.618 55.279 54.840 -0.298 0.000 0.752 126 L CB -0.333 41.470 42.059 -0.427 0.000 0.899 126 L HN 0.220 nan 8.230 nan 0.000 0.433 127 L N -0.692 120.304 121.223 -0.379 0.000 2.093 127 L HA -0.189 4.151 4.340 0.000 0.000 0.208 127 L C 2.206 178.977 176.870 -0.164 0.000 1.085 127 L CA 1.319 55.985 54.840 -0.290 0.000 0.755 127 L CB -0.350 41.553 42.059 -0.261 0.000 0.904 127 L HN 0.296 nan 8.230 nan 0.000 0.435 128 E N -1.286 118.833 120.200 -0.134 0.000 2.340 128 E HA -0.045 4.305 4.350 0.000 0.000 0.194 128 E C 0.171 176.727 176.600 -0.075 0.000 0.996 128 E CA 0.121 56.470 56.400 -0.085 0.000 0.869 128 E CB 0.432 30.093 29.700 -0.064 0.000 0.835 128 E HN 0.169 nan 8.360 nan 0.000 0.493 129 D N 0.121 120.468 120.400 -0.089 0.000 2.620 129 D HA 0.048 4.688 4.640 0.000 0.000 0.252 129 D C -0.128 176.123 176.300 -0.083 0.000 1.207 129 D CA -0.314 53.643 54.000 -0.072 0.000 0.884 129 D CB 1.455 42.217 40.800 -0.063 0.000 1.262 129 D HN -0.035 nan 8.370 nan 0.000 0.552 130 T N 0.340 114.853 114.554 -0.067 0.000 3.174 130 T HA 0.204 4.554 4.350 0.000 0.000 0.269 130 T C 1.216 175.888 174.700 -0.048 0.000 1.017 130 T CA 0.389 62.449 62.100 -0.067 0.000 0.899 130 T CB -0.179 68.653 68.868 -0.059 0.000 1.077 130 T HN 0.209 nan 8.240 nan 0.000 0.552 131 V N -2.903 116.987 119.914 -0.040 0.000 3.371 131 V HA 0.366 4.486 4.120 0.000 0.000 0.246 131 V C 0.637 176.719 176.094 -0.019 0.000 1.303 131 V CA -0.075 62.209 62.300 -0.026 0.000 1.156 131 V CB -0.358 31.453 31.823 -0.020 0.000 0.929 131 V HN 0.287 nan 8.190 nan 0.000 0.459 132 T N 4.686 119.226 114.554 -0.023 0.000 2.769 132 T HA 0.359 4.709 4.350 0.000 0.000 0.293 132 T C -2.514 172.182 174.700 -0.007 0.000 0.931 132 T CA -0.367 61.727 62.100 -0.010 0.000 1.139 132 T CB 0.743 69.605 68.868 -0.010 0.000 0.881 132 T HN 0.356 nan 8.240 nan 0.000 0.532 133 P HA 0.178 nan 4.420 nan 0.000 0.268 133 P C -0.246 177.057 177.300 0.004 0.000 1.204 133 P CA -0.179 62.934 63.100 0.023 0.000 0.768 133 P CB 0.335 32.092 31.700 0.094 0.000 0.842 134 I N 2.625 123.180 120.570 -0.025 0.000 2.395 134 I HA 0.119 4.289 4.170 0.000 0.000 0.289 134 I C 0.951 177.056 176.117 -0.019 0.000 1.023 134 I CA -0.340 60.948 61.300 -0.021 0.000 1.350 134 I CB 0.599 38.572 38.000 -0.044 0.000 1.409 134 I HN 0.324 nan 8.210 nan 0.000 0.507 135 D N 4.588 124.993 120.400 0.008 0.000 2.423 135 D HA 0.166 4.806 4.640 0.000 0.000 0.238 135 D C -0.318 175.956 176.300 -0.043 0.000 1.142 135 D CA 0.297 54.292 54.000 -0.009 0.000 0.884 135 D CB 0.772 41.584 40.800 0.019 0.000 1.199 135 D HN 0.607 nan 8.370 nan 0.000 0.438 136 T N -0.690 113.810 114.554 -0.089 0.000 2.906 136 T HA 0.590 4.940 4.350 0.000 0.000 0.295 136 T C -0.359 174.196 174.700 -0.242 0.000 1.075 136 T CA -0.981 61.023 62.100 -0.158 0.000 1.005 136 T CB 1.489 70.282 68.868 -0.124 0.000 1.136 136 T HN 0.214 nan 8.240 nan 0.000 0.498 137 T N 2.218 116.474 114.554 -0.496 0.000 2.837 137 T HA 0.576 4.926 4.350 0.000 0.000 0.285 137 T C -0.291 174.136 174.700 -0.454 0.000 0.984 137 T CA -0.603 61.170 62.100 -0.545 0.000 1.049 137 T CB 0.698 69.034 68.868 -0.886 0.000 0.947 137 T HN 0.715 nan 8.240 nan 0.000 0.472 138 I N 4.020 124.493 120.570 -0.163 0.000 2.377 138 I HA 0.528 4.698 4.170 0.000 0.000 0.293 138 I C -0.902 175.248 176.117 0.055 0.000 0.987 138 I CA -0.788 60.508 61.300 -0.006 0.000 1.185 138 I CB 0.684 38.729 38.000 0.076 0.000 1.341 138 I HN 0.414 nan 8.210 nan 0.000 0.455 139 M N 6.191 125.881 119.600 0.150 0.000 2.619 139 M HA 0.507 4.987 4.480 0.000 0.000 0.297 139 M C -0.648 175.719 176.300 0.112 0.000 1.229 139 M CA -0.636 54.754 55.300 0.149 0.000 0.860 139 M CB 1.859 34.611 32.600 0.252 0.000 1.741 139 M HN 0.594 nan 8.290 nan 0.000 0.462 140 A N 1.869 124.732 122.820 0.071 0.000 2.301 140 A HA 0.481 4.801 4.320 0.000 0.000 0.298 140 A C -0.121 177.496 177.584 0.055 0.000 1.185 140 A CA -0.526 51.544 52.037 0.055 0.000 0.830 140 A CB 0.247 19.265 19.000 0.030 0.000 1.112 140 A HN 0.755 nan 8.150 nan 0.000 0.508 141 K N 2.115 122.549 120.400 0.057 0.000 2.448 141 K HA 0.034 4.354 4.320 0.000 0.000 0.278 141 K C -0.588 176.014 176.600 0.004 0.000 1.009 141 K CA 0.365 56.669 56.287 0.029 0.000 0.995 141 K CB 0.327 32.852 32.500 0.041 0.000 0.917 141 K HN 0.748 nan 8.250 nan 0.000 0.481 142 N N 3.146 121.817 118.700 -0.048 0.000 2.437 142 N HA 0.085 4.825 4.740 0.000 0.000 0.243 142 N C -1.125 174.253 175.510 -0.220 0.000 1.041 142 N CA -0.275 52.708 53.050 -0.112 0.000 0.940 142 N CB 0.866 39.279 38.487 -0.124 0.000 1.133 142 N HN 0.405 nan 8.380 nan 0.000 0.506 143 E N 0.938 120.984 120.200 -0.255 0.000 2.317 143 E HA 0.425 4.775 4.350 0.000 0.000 0.270 143 E C -0.956 175.180 176.600 -0.773 0.000 0.885 143 E CA -0.992 55.121 56.400 -0.478 0.000 0.760 143 E CB 2.489 31.954 29.700 -0.392 0.000 1.227 143 E HN 0.092 nan 8.360 nan 0.000 0.434 144 V N 3.038 122.364 119.914 -0.980 0.000 2.439 144 V HA 0.464 4.584 4.120 0.000 0.000 0.282 144 V C -0.813 174.594 176.094 -1.145 0.000 1.039 144 V CA -0.242 61.506 62.300 -0.920 0.000 0.913 144 V CB 0.110 31.535 31.823 -0.662 0.000 0.983 144 V HN 0.502 nan 8.190 nan 0.000 0.460 145 F N 2.259 121.863 119.950 -0.576 0.000 2.650 145 F HA 0.591 5.118 4.527 0.000 0.000 0.320 145 F C 0.115 175.734 175.800 -0.301 0.000 1.091 145 F CA -0.817 56.916 58.000 -0.445 0.000 0.962 145 F CB 1.280 39.985 39.000 -0.490 0.000 1.363 145 F HN 0.508 nan 8.300 nan 0.000 0.482 146 C N 2.830 122.229 119.300 0.165 0.000 2.365 146 C HA 0.774 5.234 4.460 0.000 0.000 0.351 146 C C 0.197 175.402 174.990 0.358 0.000 1.240 146 C CA -0.701 58.452 59.018 0.225 0.000 2.062 146 C CB -0.113 27.713 27.740 0.144 0.000 2.387 146 C HN 0.738 nan 8.230 nan 0.000 0.537 147 V N 3.887 124.040 119.914 0.398 0.000 2.999 147 V HA 0.549 4.669 4.120 0.000 0.000 0.307 147 V C 0.042 176.228 176.094 0.154 0.000 1.084 147 V CA 0.716 63.189 62.300 0.289 0.000 1.155 147 V CB 0.376 32.282 31.823 0.138 0.000 0.975 147 V HN 1.235 nan 8.190 nan 0.000 0.490 148 Q N 3.982 123.837 119.800 0.091 0.000 2.674 148 Q HA 0.501 4.841 4.340 0.000 0.000 0.249 148 Q C -1.556 174.455 176.000 0.017 0.000 1.011 148 Q CA -1.227 54.605 55.803 0.047 0.000 0.734 148 Q CB 0.470 29.227 28.738 0.031 0.000 1.201 148 Q HN 0.845 nan 8.270 nan 0.000 0.498 149 P HA -0.249 nan 4.420 nan 0.000 0.222 149 P C 0.794 178.091 177.300 -0.005 0.000 1.159 149 P CA 2.477 65.578 63.100 0.001 0.000 0.920 149 P CB 0.075 31.777 31.700 0.004 0.000 0.793 154 R N 0.820 121.221 120.500 -0.165 0.000 2.628 154 R HA 0.514 4.854 4.340 0.000 0.000 0.288 154 R C -0.998 175.249 176.300 -0.088 0.000 0.980 154 R CA -0.791 55.141 56.100 -0.280 0.000 0.891 154 R CB 2.465 32.408 30.300 -0.596 0.000 1.188 154 R HN 0.105 nan 8.270 nan 0.000 0.450 155 K N 2.817 123.249 120.400 0.053 0.000 2.249 155 K HA 0.254 4.574 4.320 0.000 0.000 0.280 155 K C -2.246 174.397 176.600 0.073 0.000 1.033 155 K CA -1.642 54.637 56.287 -0.013 0.000 0.946 155 K CB 0.582 32.935 32.500 -0.246 0.000 1.005 155 K HN 0.225 nan 8.250 nan 0.000 0.469 156 P HA 0.011 nan 4.420 nan 0.000 0.274 156 P C -0.833 176.516 177.300 0.081 0.000 1.231 156 P CA -0.390 62.739 63.100 0.048 0.000 0.790 156 P CB 0.579 32.286 31.700 0.012 0.000 0.951 157 A N 3.105 125.979 122.820 0.089 0.000 2.565 157 A HA 0.016 4.336 4.320 0.000 0.000 0.237 157 A C 0.536 178.168 177.584 0.081 0.000 1.053 157 A CA 0.211 52.307 52.037 0.099 0.000 0.755 157 A CB -0.360 18.680 19.000 0.068 0.000 0.980 157 A HN 0.444 nan 8.150 nan 0.000 0.506 158 R N 0.674 121.238 120.500 0.107 0.000 2.582 158 R HA 0.368 4.708 4.340 0.000 0.000 0.271 158 R C -0.783 175.571 176.300 0.090 0.000 1.078 158 R CA -0.710 55.452 56.100 0.102 0.000 1.127 158 R CB 0.293 30.669 30.300 0.128 0.000 1.038 158 R HN 0.492 nan 8.270 nan 0.000 0.500 159 L N 2.476 123.756 121.223 0.095 0.000 2.343 159 L HA 0.460 4.800 4.340 0.000 0.000 0.275 159 L C -0.115 176.842 176.870 0.145 0.000 1.056 159 L CA -0.578 54.323 54.840 0.101 0.000 0.804 159 L CB 1.007 43.112 42.059 0.076 0.000 1.203 159 L HN 0.523 nan 8.230 nan 0.000 0.440 160 I N 2.289 122.963 120.570 0.172 0.000 2.465 160 I HA 0.596 4.766 4.170 0.000 0.000 0.291 160 I C -1.018 175.282 176.117 0.305 0.000 1.014 160 I CA -0.300 61.137 61.300 0.229 0.000 1.093 160 I CB 1.766 39.887 38.000 0.202 0.000 1.267 160 I HN 0.213 nan 8.210 nan 0.000 0.431 161 V N 8.614 128.706 119.914 0.297 0.000 2.444 161 V HA 0.586 4.706 4.120 0.000 0.000 0.294 161 V C -0.801 175.476 176.094 0.306 0.000 1.022 161 V CA -0.476 61.957 62.300 0.222 0.000 0.850 161 V CB 1.138 33.064 31.823 0.173 0.000 0.992 161 V HN 0.602 nan 8.190 nan 0.000 0.426 162 F N 4.956 124.952 119.950 0.077 0.000 2.591 162 F HA 0.929 5.456 4.527 0.000 0.000 0.309 162 F C -3.040 172.800 175.800 0.066 0.000 1.098 162 F CA -2.874 55.171 58.000 0.075 0.000 0.937 162 F CB 1.704 40.743 39.000 0.065 0.000 1.250 162 F HN 0.297 nan 8.300 nan 0.000 0.447 163 P HA 0.157 nan 4.420 nan 0.000 0.278 163 P C -0.881 176.537 177.300 0.197 0.000 1.266 163 P CA -0.150 63.012 63.100 0.103 0.000 0.807 163 P CB 1.157 32.922 31.700 0.110 0.000 1.094 164 D N -0.522 119.978 120.400 0.167 0.000 2.419 164 D HA -0.098 4.542 4.640 0.000 0.000 0.236 164 D C 1.373 177.811 176.300 0.231 0.000 1.165 164 D CA -0.204 53.928 54.000 0.220 0.000 0.882 164 D CB 0.257 41.251 40.800 0.325 0.000 1.201 164 D HN 0.115 nan 8.370 nan 0.000 0.443 165 L N 3.446 124.787 121.223 0.196 0.000 2.051 165 L HA -0.062 4.278 4.340 0.000 0.000 0.214 165 L C 2.062 179.077 176.870 0.243 0.000 1.076 165 L CA 2.674 57.619 54.840 0.175 0.000 0.758 165 L CB -1.181 40.932 42.059 0.090 0.000 0.890 165 L HN 0.671 nan 8.230 nan 0.000 0.433 166 G N -1.207 107.799 108.800 0.345 0.000 2.446 166 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 166 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 166 G C 1.558 176.562 174.900 0.174 0.000 1.168 166 G CA 1.222 46.532 45.100 0.349 0.000 0.771 166 G HN 0.366 nan 8.290 nan 0.000 0.551 167 V N 0.857 120.866 119.914 0.159 0.000 2.332 167 V HA -0.204 3.916 4.120 0.000 0.000 0.248 167 V C 2.939 179.113 176.094 0.133 0.000 1.055 167 V CA 2.115 64.484 62.300 0.115 0.000 1.038 167 V CB -0.499 31.383 31.823 0.098 0.000 0.651 167 V HN 0.345 nan 8.190 nan 0.000 0.450 168 R N -0.382 120.207 120.500 0.150 0.000 2.096 168 R HA -0.108 4.232 4.340 0.000 0.000 0.235 168 R C 2.201 178.565 176.300 0.107 0.000 1.127 168 R CA 1.367 57.549 56.100 0.137 0.000 0.968 168 R CB -0.549 29.829 30.300 0.130 0.000 0.861 168 R HN 0.436 nan 8.270 nan 0.000 0.440 169 V N 0.311 120.282 119.914 0.095 0.000 2.427 169 V HA -0.268 3.852 4.120 0.000 0.000 0.248 169 V C 2.466 178.594 176.094 0.057 0.000 1.051 169 V CA 1.453 63.779 62.300 0.043 0.000 1.048 169 V CB -0.423 31.411 31.823 0.018 0.000 0.666 169 V HN 0.439 nan 8.190 nan 0.000 0.456 170 C N -0.096 119.280 119.300 0.127 0.000 2.425 170 C HA -0.145 4.315 4.460 0.000 0.000 0.277 170 C C 2.678 177.847 174.990 0.298 0.000 1.280 170 C CA 0.884 60.065 59.018 0.272 0.000 1.744 170 C CB -0.973 26.970 27.740 0.338 0.000 1.989 170 C HN 0.614 nan 8.230 nan 0.000 0.491 171 E N 0.742 121.067 120.200 0.207 0.000 2.085 171 E HA -0.243 4.107 4.350 0.000 0.000 0.194 171 E C 2.165 178.884 176.600 0.199 0.000 0.994 171 E CA 1.298 57.828 56.400 0.217 0.000 0.801 171 E CB -0.149 29.683 29.700 0.220 0.000 0.743 171 E HN 0.631 nan 8.360 nan 0.000 0.453 172 K N 0.207 120.694 120.400 0.145 0.000 2.057 172 K HA -0.092 4.228 4.320 0.000 0.000 0.207 172 K C 2.204 178.867 176.600 0.104 0.000 1.049 172 K CA 1.226 57.586 56.287 0.122 0.000 0.931 172 K CB -0.085 32.417 32.500 0.003 0.000 0.714 172 K HN 0.102 nan 8.250 nan 0.000 0.440 173 M N 0.174 119.794 119.600 0.034 0.000 2.080 173 M HA -0.205 4.275 4.480 0.000 0.000 0.260 173 M C 2.374 178.722 176.300 0.080 0.000 1.068 173 M CA 1.854 57.112 55.300 -0.070 0.000 1.109 173 M CB -0.303 32.068 32.600 -0.381 0.000 1.342 173 M HN 0.236 nan 8.290 nan 0.000 0.405 174 A N -0.765 122.219 122.820 0.272 0.000 1.970 174 A HA 0.052 4.372 4.320 0.000 0.000 0.216 174 A C 1.824 179.508 177.584 0.167 0.000 1.170 174 A CA 1.138 53.370 52.037 0.325 0.000 0.645 174 A CB -0.127 19.094 19.000 0.368 0.000 0.816 174 A HN 0.501 nan 8.150 nan 0.000 0.447 175 L N -3.335 117.971 121.223 0.138 0.000 3.174 175 L HA 0.193 4.533 4.340 0.000 0.000 0.283 175 L C 1.801 178.705 176.870 0.055 0.000 1.187 175 L CA 0.020 54.883 54.840 0.039 0.000 1.018 175 L CB 0.087 42.138 42.059 -0.015 0.000 1.433 175 L HN 0.431 nan 8.230 nan 0.000 0.593 176 Y N 1.533 121.848 120.300 0.024 0.000 2.114 176 Y HA -0.352 4.198 4.550 0.000 0.000 0.282 176 Y C 2.224 178.156 175.900 0.053 0.000 1.165 176 Y CA 2.377 60.506 58.100 0.048 0.000 1.148 176 Y CB 0.065 38.541 38.460 0.027 0.000 0.972 176 Y HN 0.227 nan 8.280 nan 0.000 0.504 177 D N -0.739 119.687 120.400 0.044 0.000 2.144 177 D HA -0.160 4.480 4.640 0.000 0.000 0.200 177 D C 2.227 178.467 176.300 -0.100 0.000 0.978 177 D CA 1.419 55.397 54.000 -0.037 0.000 0.833 177 D CB -0.233 40.597 40.800 0.049 0.000 0.961 177 D HN 0.267 nan 8.370 nan 0.000 0.470 178 V N 0.575 120.437 119.914 -0.086 0.000 2.233 178 V HA -0.246 3.874 4.120 0.000 0.000 0.247 178 V C 2.731 178.723 176.094 -0.170 0.000 1.050 178 V CA 1.947 64.176 62.300 -0.118 0.000 1.010 178 V CB -0.811 30.918 31.823 -0.156 0.000 0.637 178 V HN 0.325 nan 8.190 nan 0.000 0.444 179 V N -2.397 117.394 119.914 -0.205 0.000 2.759 179 V HA -0.104 4.016 4.120 0.000 0.000 0.256 179 V C 2.072 178.016 176.094 -0.249 0.000 1.080 179 V CA 2.075 64.245 62.300 -0.216 0.000 1.101 179 V CB -0.511 31.204 31.823 -0.179 0.000 0.698 179 V HN 0.460 nan 8.190 nan 0.000 0.477 180 S N 0.313 115.860 115.700 -0.256 0.000 2.446 180 S HA -0.016 4.454 4.470 0.000 0.000 0.225 180 S C 1.883 176.385 174.600 -0.164 0.000 1.016 180 S CA 1.500 59.567 58.200 -0.222 0.000 0.943 180 S CB -0.028 62.982 63.200 -0.318 0.000 0.786 180 S HN 0.773 nan 8.310 nan 0.000 0.508 181 T N 1.464 115.919 114.554 -0.165 0.000 3.038 181 T HA 0.288 4.638 4.350 0.000 0.000 0.244 181 T C 1.662 176.259 174.700 -0.172 0.000 1.016 181 T CA -0.053 61.967 62.100 -0.134 0.000 1.098 181 T CB -0.095 68.719 68.868 -0.090 0.000 0.954 181 T HN 0.186 nan 8.240 nan 0.000 0.469 182 L N 1.777 122.893 121.223 -0.179 0.000 2.072 182 L HA 0.081 4.421 4.340 0.000 0.000 0.205 182 L C -1.054 175.649 176.870 -0.278 0.000 1.079 182 L CA 1.084 55.825 54.840 -0.165 0.000 0.752 182 L CB -0.714 41.299 42.059 -0.078 0.000 0.906 182 L HN 0.098 nan 8.230 nan 0.000 0.436 183 P HA -0.228 nan 4.420 nan 0.000 0.216 183 P C 1.300 178.143 177.300 -0.761 0.000 1.150 183 P CA 1.268 63.928 63.100 -0.733 0.000 0.837 183 P CB -0.128 30.759 31.700 -1.356 0.000 0.786 184 Q N -0.065 119.357 119.800 -0.631 0.000 2.172 184 Q HA -0.074 4.266 4.340 0.000 0.000 0.200 184 Q C 1.873 177.736 176.000 -0.227 0.000 0.964 184 Q CA 1.256 56.856 55.803 -0.339 0.000 0.855 184 Q CB -0.516 28.125 28.738 -0.161 0.000 0.918 184 Q HN 0.088 nan 8.270 nan 0.000 0.444 185 V N 0.187 119.976 119.914 -0.208 0.000 2.453 185 V HA -0.183 3.937 4.120 0.000 0.000 0.247 185 V C 2.450 178.456 176.094 -0.147 0.000 1.048 185 V CA 1.266 63.483 62.300 -0.139 0.000 1.049 185 V CB -0.267 31.491 31.823 -0.108 0.000 0.672 185 V HN 0.128 nan 8.190 nan 0.000 0.457 186 V N -0.796 118.997 119.914 -0.201 0.000 2.407 186 V HA -0.155 3.965 4.120 0.000 0.000 0.245 186 V C 2.042 177.966 176.094 -0.282 0.000 1.041 186 V CA 2.049 64.229 62.300 -0.199 0.000 1.040 186 V CB -0.355 31.344 31.823 -0.206 0.000 0.671 186 V HN 0.459 nan 8.190 nan 0.000 0.455 187 M N -1.385 117.971 119.600 -0.408 0.000 2.367 187 M HA 0.357 4.837 4.480 0.000 0.000 0.256 187 M C 1.475 177.618 176.300 -0.260 0.000 1.091 187 M CA 0.769 55.723 55.300 -0.576 0.000 1.049 187 M CB 0.537 32.683 32.600 -0.757 0.000 1.406 187 M HN 0.469 nan 8.290 nan 0.000 0.498 188 G N 1.602 110.295 108.800 -0.178 0.000 2.611 188 G HA2 -0.409 3.551 3.960 0.000 0.000 0.301 188 G HA3 -0.409 3.551 3.960 0.000 0.000 0.301 188 G C 0.868 175.709 174.900 -0.097 0.000 1.233 188 G CA 0.942 45.987 45.100 -0.093 0.000 0.993 188 G HN 0.520 nan 8.290 nan 0.000 0.553 189 S N -0.675 115.002 115.700 -0.039 0.000 2.442 189 S HA 0.031 4.501 4.470 0.000 0.000 0.236 189 S C 2.266 176.692 174.600 -0.290 0.000 1.007 189 S CA 2.069 60.217 58.200 -0.087 0.000 0.965 189 S CB -0.215 63.069 63.200 0.140 0.000 0.773 189 S HN 1.054 nan 8.310 nan 0.000 0.504 190 S N 0.285 115.920 115.700 -0.109 0.000 2.474 190 S HA 0.069 4.539 4.470 0.000 0.000 0.235 190 S C 0.258 174.779 174.600 -0.131 0.000 0.997 190 S CA 0.158 58.322 58.200 -0.060 0.000 0.949 190 S CB -0.452 62.820 63.200 0.119 0.000 0.766 190 S HN 0.723 nan 8.310 nan 0.000 0.517 191 Y N 2.704 122.791 120.300 -0.354 0.000 2.539 191 Y HA 0.459 5.009 4.550 0.000 0.000 0.352 191 Y C 1.239 176.843 175.900 -0.494 0.000 1.004 191 Y CA -1.464 56.408 58.100 -0.380 0.000 1.278 191 Y CB -0.020 38.231 38.460 -0.347 0.000 1.136 191 Y HN 0.041 nan 8.280 nan 0.000 0.528 192 G N 4.408 112.702 108.800 -0.844 0.000 2.448 192 G HA2 -0.265 3.695 3.960 0.000 0.000 0.219 192 G HA3 -0.265 3.695 3.960 0.000 0.000 0.219 192 G C 0.980 175.299 174.900 -0.968 0.000 1.127 192 G CA 0.308 44.935 45.100 -0.788 0.000 0.766 192 G HN 0.635 nan 8.290 nan 0.000 0.552 193 F N 1.067 120.246 119.950 -1.284 0.000 2.802 193 F HA 0.089 4.616 4.527 0.000 0.000 0.300 193 F C 2.723 178.241 175.800 -0.470 0.000 1.168 193 F CA 0.620 58.004 58.000 -1.027 0.000 1.433 193 F CB 0.017 38.425 39.000 -0.985 0.000 1.115 193 F HN 0.371 nan 8.300 nan 0.000 0.582 194 Q N -0.830 118.693 119.800 -0.461 0.000 2.451 194 Q HA -0.050 4.290 4.340 0.000 0.000 0.206 194 Q C -0.632 175.281 176.000 -0.145 0.000 0.947 194 Q CA 0.705 56.375 55.803 -0.223 0.000 0.937 194 Q CB -0.206 28.323 28.738 -0.349 0.000 1.025 194 Q HN 0.272 nan 8.270 nan 0.000 0.511 195 Y N 1.861 122.167 120.300 0.010 0.000 2.360 195 Y HA 0.313 4.863 4.550 0.000 0.000 0.337 195 Y C 0.551 176.311 175.900 -0.234 0.000 1.039 195 Y CA -1.521 56.531 58.100 -0.080 0.000 1.109 195 Y CB 1.527 39.900 38.460 -0.145 0.000 1.201 195 Y HN 0.094 nan 8.280 nan 0.000 0.458 196 S N 2.677 118.126 115.700 -0.417 0.000 2.596 196 S HA 0.143 4.613 4.470 0.000 0.000 0.260 196 S C -1.966 172.348 174.600 -0.477 0.000 1.336 196 S CA -0.920 56.609 58.200 -1.118 0.000 0.993 196 S CB 0.928 63.610 63.200 -0.864 0.000 0.923 196 S HN 0.449 nan 8.310 nan 0.000 0.567 197 P HA -0.002 nan 4.420 nan 0.000 0.216 197 P C 1.682 178.927 177.300 -0.092 0.000 1.150 197 P CA 1.677 64.681 63.100 -0.160 0.000 0.837 197 P CB -0.510 31.136 31.700 -0.091 0.000 0.786 198 G N -0.277 108.455 108.800 -0.113 0.000 2.402 198 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 198 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 198 G C 1.511 176.357 174.900 -0.090 0.000 1.162 198 G CA 0.486 45.556 45.100 -0.050 0.000 0.777 198 G HN 0.303 nan 8.290 nan 0.000 0.539 199 Q N -0.446 119.276 119.800 -0.130 0.000 2.167 199 Q HA -0.005 4.335 4.340 0.000 0.000 0.202 199 Q C 2.545 178.338 176.000 -0.344 0.000 0.970 199 Q CA 0.912 56.624 55.803 -0.152 0.000 0.855 199 Q CB -0.109 28.625 28.738 -0.007 0.000 0.911 199 Q HN 0.477 nan 8.270 nan 0.000 0.438 200 R N 0.389 120.737 120.500 -0.253 0.000 2.075 200 R HA -0.118 4.222 4.340 0.000 0.000 0.232 200 R C 1.985 178.185 176.300 -0.168 0.000 1.126 200 R CA 1.119 57.068 56.100 -0.251 0.000 0.963 200 R CB -0.022 30.239 30.300 -0.064 0.000 0.858 200 R HN 0.085 nan 8.270 nan 0.000 0.435 201 V N 1.115 120.955 119.914 -0.124 0.000 2.358 201 V HA -0.184 3.936 4.120 0.000 0.000 0.246 201 V C 2.302 178.303 176.094 -0.155 0.000 1.047 201 V CA 2.015 64.244 62.300 -0.118 0.000 1.035 201 V CB -0.503 31.286 31.823 -0.056 0.000 0.658 201 V HN 0.449 nan 8.190 nan 0.000 0.452 202 E N -0.396 119.724 120.200 -0.132 0.000 2.077 202 E HA -0.254 4.096 4.350 0.000 0.000 0.193 202 E C 2.109 178.620 176.600 -0.148 0.000 0.989 202 E CA 1.522 57.848 56.400 -0.124 0.000 0.800 202 E CB -0.156 29.493 29.700 -0.085 0.000 0.746 202 E HN 0.554 nan 8.360 nan 0.000 0.452 203 F N 1.214 120.951 119.950 -0.354 0.000 2.126 203 F HA -0.192 4.335 4.527 0.000 0.000 0.299 203 F C 1.945 177.614 175.800 -0.219 0.000 1.096 203 F CA 1.324 59.114 58.000 -0.351 0.000 1.255 203 F CB -0.201 38.411 39.000 -0.646 0.000 0.997 203 F HN -0.013 nan 8.300 nan 0.000 0.479 204 L N -0.956 120.124 121.223 -0.239 0.000 2.005 204 L HA -0.208 4.132 4.340 0.000 0.000 0.207 204 L C 2.385 179.094 176.870 -0.269 0.000 1.072 204 L CA 1.091 55.778 54.840 -0.256 0.000 0.744 204 L CB -0.880 41.075 42.059 -0.172 0.000 0.895 204 L HN -0.036 nan 8.230 nan 0.000 0.433 205 V N 0.134 119.868 119.914 -0.301 0.000 2.295 205 V HA -0.286 3.834 4.120 0.000 0.000 0.246 205 V C 2.219 178.196 176.094 -0.195 0.000 1.049 205 V CA 1.948 64.052 62.300 -0.327 0.000 1.024 205 V CB -0.750 30.751 31.823 -0.536 0.000 0.648 205 V HN 0.475 nan 8.190 nan 0.000 0.447 206 N N 0.063 118.633 118.700 -0.216 0.000 2.149 206 N HA -0.140 4.600 4.740 0.000 0.000 0.188 206 N C 1.893 177.281 175.510 -0.203 0.000 1.019 206 N CA 1.931 54.874 53.050 -0.179 0.000 0.857 206 N CB -0.624 37.766 38.487 -0.163 0.000 0.997 206 N HN 0.482 nan 8.380 nan 0.000 0.426 207 T N 0.128 114.485 114.554 -0.327 0.000 2.812 207 T HA -0.113 4.237 4.350 0.000 0.000 0.264 207 T C 1.494 176.121 174.700 -0.122 0.000 1.042 207 T CA 0.520 62.432 62.100 -0.314 0.000 1.140 207 T CB -0.187 68.364 68.868 -0.528 0.000 0.870 207 T HN 0.418 nan 8.240 nan 0.000 0.445 208 W N 2.342 123.487 121.300 -0.259 0.000 2.358 208 W HA -0.063 4.597 4.660 0.000 0.000 0.303 208 W C 1.726 178.160 176.519 -0.142 0.000 1.208 208 W CA 1.113 58.348 57.345 -0.183 0.000 1.274 208 W CB -0.150 29.195 29.460 -0.193 0.000 1.138 208 W HN 0.243 nan 8.180 nan 0.000 0.515 209 K N 0.248 120.679 120.400 0.052 0.000 2.365 209 K HA -0.117 4.203 4.320 0.000 0.000 0.199 209 K C 2.086 178.639 176.600 -0.079 0.000 1.045 209 K CA 1.473 57.750 56.287 -0.016 0.000 0.962 209 K CB -0.195 32.303 32.500 -0.003 0.000 0.759 209 K HN 0.054 nan 8.250 nan 0.000 0.469 210 S N 0.350 115.988 115.700 -0.104 0.000 2.527 210 S HA 0.036 4.506 4.470 0.000 0.000 0.222 210 S C 0.471 174.997 174.600 -0.124 0.000 0.985 210 S CA 0.104 58.242 58.200 -0.103 0.000 0.921 210 S CB 0.112 63.252 63.200 -0.100 0.000 0.772 210 S HN -0.062 nan 8.310 nan 0.000 0.529 211 K N 1.923 122.212 120.400 -0.184 0.000 2.143 211 K HA 0.384 4.704 4.320 0.000 0.000 0.272 211 K C 0.656 177.142 176.600 -0.190 0.000 1.001 211 K CA -0.596 55.568 56.287 -0.206 0.000 0.915 211 K CB 0.917 33.233 32.500 -0.306 0.000 1.047 211 K HN -0.003 nan 8.250 nan 0.000 0.458 212 K N 1.231 121.547 120.400 -0.140 0.000 2.026 212 K HA -0.048 4.272 4.320 0.000 0.000 0.208 212 K C -0.059 176.460 176.600 -0.134 0.000 1.048 212 K CA 1.169 57.389 56.287 -0.111 0.000 0.929 212 K CB 0.208 32.661 32.500 -0.079 0.000 0.713 212 K HN 0.516 nan 8.250 nan 0.000 0.439 213 N N 1.027 119.633 118.700 -0.157 0.000 2.690 213 N HA 0.210 4.950 4.740 0.000 0.000 0.255 213 N C -2.799 172.567 175.510 -0.240 0.000 1.195 213 N CA -1.052 51.901 53.050 -0.162 0.000 0.790 213 N CB 2.036 40.465 38.487 -0.096 0.000 1.216 213 N HN 0.040 nan 8.380 nan 0.000 0.528 214 P HA 0.188 nan 4.420 nan 0.000 0.275 214 P C -0.298 176.636 177.300 -0.609 0.000 1.228 214 P CA -0.323 62.290 63.100 -0.812 0.000 0.786 214 P CB 1.356 31.961 31.700 -1.826 0.000 0.927 215 M N 1.958 121.313 119.600 -0.409 0.000 2.484 215 M HA 0.666 5.146 4.480 0.000 0.000 0.289 215 M C -1.331 174.953 176.300 -0.026 0.000 1.206 215 M CA -0.348 54.852 55.300 -0.168 0.000 0.892 215 M CB 2.537 35.114 32.600 -0.037 0.000 1.712 215 M HN 0.575 nan 8.290 nan 0.000 0.462 216 G N 3.046 111.935 108.800 0.147 0.000 2.672 216 G HA2 0.852 4.812 3.960 0.000 0.000 0.292 216 G HA3 0.852 4.812 3.960 0.000 0.000 0.292 216 G C -2.029 172.978 174.900 0.179 0.000 1.375 216 G CA -0.648 44.562 45.100 0.182 0.000 0.890 216 G HN 0.865 nan 8.290 nan 0.000 0.476 217 F N -0.607 119.319 119.950 -0.040 0.000 2.678 217 F HA 0.765 5.293 4.527 0.000 0.000 0.308 217 F C -0.341 175.456 175.800 -0.005 0.000 1.118 217 F CA -1.392 56.581 58.000 -0.045 0.000 0.959 217 F CB 1.364 40.322 39.000 -0.071 0.000 1.305 217 F HN 0.654 nan 8.300 nan 0.000 0.443 218 S N 1.488 117.276 115.700 0.147 0.000 2.525 218 S HA 0.616 5.086 4.470 0.000 0.000 0.290 218 S C -1.499 173.287 174.600 0.310 0.000 1.152 218 S CA -0.567 57.691 58.200 0.096 0.000 1.072 218 S CB 1.489 64.726 63.200 0.062 0.000 1.027 218 S HN 0.880 nan 8.310 nan 0.000 0.500 219 Y N 1.790 122.197 120.300 0.177 0.000 2.328 219 Y HA 0.434 4.984 4.550 0.000 0.000 0.333 219 Y C -0.824 175.205 175.900 0.214 0.000 0.958 219 Y CA -0.777 57.505 58.100 0.304 0.000 1.167 219 Y CB 1.297 40.045 38.460 0.480 0.000 1.151 219 Y HN 0.865 nan 8.280 nan 0.000 0.470 220 D N 4.714 125.001 120.400 -0.189 0.000 2.443 220 D HA 0.200 4.840 4.640 0.000 0.000 0.221 220 D C -0.708 175.473 176.300 -0.199 0.000 1.097 220 D CA -0.139 53.801 54.000 -0.099 0.000 0.865 220 D CB 0.869 41.629 40.800 -0.066 0.000 1.034 220 D HN 0.467 nan 8.370 nan 0.000 0.511 221 T N 3.487 118.098 114.554 0.096 0.000 2.901 221 T HA 0.098 4.448 4.350 0.000 0.000 0.301 221 T C 0.541 175.334 174.700 0.154 0.000 1.012 221 T CA -0.360 61.871 62.100 0.219 0.000 1.135 221 T CB 0.610 69.805 68.868 0.545 0.000 0.936 221 T HN 0.328 nan 8.240 nan 0.000 0.539 222 R N 2.072 122.624 120.500 0.088 0.000 2.399 222 R HA 0.169 4.509 4.340 0.000 0.000 0.324 222 R C -0.248 176.157 176.300 0.174 0.000 1.030 222 R CA -0.232 55.913 56.100 0.075 0.000 0.984 222 R CB -0.751 29.535 30.300 -0.024 0.000 0.961 222 R HN 0.925 nan 8.270 nan 0.000 0.433 223 C N 5.421 124.851 119.300 0.217 0.000 3.165 223 C HA -0.162 4.298 4.460 0.000 0.000 0.279 223 C C 1.288 176.480 174.990 0.337 0.000 1.188 223 C CA 0.055 59.246 59.018 0.289 0.000 2.448 223 C CB -2.818 25.143 27.740 0.368 0.000 1.516 223 C HN 1.009 nan 8.230 nan 0.000 0.491 224 F N 1.871 121.937 119.950 0.194 0.000 2.069 224 F HA -0.157 4.370 4.527 0.000 0.000 0.298 224 F C 1.955 177.866 175.800 0.186 0.000 1.113 224 F CA 2.373 60.488 58.000 0.192 0.000 1.214 224 F CB 0.001 39.103 39.000 0.171 0.000 0.978 224 F HN 0.507 nan 8.300 nan 0.000 0.474 225 D N -0.290 120.359 120.400 0.415 0.000 2.133 225 D HA -0.186 4.454 4.640 0.000 0.000 0.195 225 D C 2.449 178.823 176.300 0.123 0.000 0.997 225 D CA 1.741 55.909 54.000 0.280 0.000 0.840 225 D CB -0.648 40.312 40.800 0.267 0.000 0.947 225 D HN 0.246 nan 8.370 nan 0.000 0.452 226 S N -0.454 115.335 115.700 0.148 0.000 2.423 226 S HA -0.119 4.351 4.470 0.000 0.000 0.231 226 S C 2.037 176.618 174.600 -0.032 0.000 1.014 226 S CA 1.492 59.700 58.200 0.014 0.000 0.965 226 S CB -0.291 62.937 63.200 0.046 0.000 0.785 226 S HN 0.554 nan 8.310 nan 0.000 0.495 227 T N -0.616 113.986 114.554 0.079 0.000 3.088 227 T HA 0.139 4.489 4.350 0.000 0.000 0.259 227 T C 0.594 175.236 174.700 -0.096 0.000 1.122 227 T CA 0.013 62.147 62.100 0.056 0.000 1.095 227 T CB -0.362 68.493 68.868 -0.023 0.000 0.930 227 T HN 0.032 nan 8.240 nan 0.000 0.508 228 V N 3.932 123.756 119.914 -0.151 0.000 2.479 228 V HA 0.345 4.465 4.120 0.000 0.000 0.281 228 V C 1.073 177.133 176.094 -0.058 0.000 1.031 228 V CA -0.227 62.005 62.300 -0.113 0.000 1.038 228 V CB 0.297 32.094 31.823 -0.044 0.000 0.981 228 V HN 0.726 nan 8.190 nan 0.000 0.478 229 T N 0.728 115.264 114.554 -0.030 0.000 2.923 229 T HA 0.354 4.704 4.350 0.000 0.000 0.281 229 T C 1.027 175.733 174.700 0.010 0.000 0.995 229 T CA -0.347 61.748 62.100 -0.008 0.000 0.985 229 T CB 1.582 70.453 68.868 0.004 0.000 1.114 229 T HN 0.657 nan 8.240 nan 0.000 0.548 230 E N 0.557 120.772 120.200 0.025 0.000 2.070 230 E HA -0.315 4.035 4.350 0.000 0.000 0.197 230 E C 1.956 178.578 176.600 0.036 0.000 1.004 230 E CA 1.887 58.308 56.400 0.035 0.000 0.805 230 E CB -0.287 29.438 29.700 0.042 0.000 0.744 230 E HN 0.757 nan 8.360 nan 0.000 0.451 231 N N 0.613 119.333 118.700 0.033 0.000 2.060 231 N HA -0.226 4.514 4.740 0.000 0.000 0.195 231 N C 1.468 177.002 175.510 0.040 0.000 1.028 231 N CA 2.296 55.363 53.050 0.029 0.000 0.861 231 N CB -0.179 38.311 38.487 0.006 0.000 1.029 231 N HN 0.181 nan 8.380 nan 0.000 0.428 232 D N -0.192 120.231 120.400 0.038 0.000 2.117 232 D HA -0.110 4.530 4.640 0.000 0.000 0.197 232 D C 2.020 178.339 176.300 0.032 0.000 0.987 232 D CA 1.026 55.057 54.000 0.053 0.000 0.829 232 D CB -0.294 40.531 40.800 0.042 0.000 0.961 232 D HN 0.450 nan 8.370 nan 0.000 0.460 233 I N 0.660 121.251 120.570 0.036 0.000 2.252 233 I HA -0.200 3.970 4.170 0.000 0.000 0.245 233 I C 2.508 178.642 176.117 0.027 0.000 1.102 233 I CA 0.966 62.293 61.300 0.045 0.000 1.385 233 I CB -0.084 37.965 38.000 0.082 0.000 1.064 233 I HN -0.121 nan 8.210 nan 0.000 0.414 234 R N 0.068 120.586 120.500 0.029 0.000 2.096 234 R HA -0.101 4.239 4.340 0.000 0.000 0.235 234 R C 2.321 178.607 176.300 -0.024 0.000 1.127 234 R CA 1.183 57.293 56.100 0.016 0.000 0.968 234 R CB -0.494 29.821 30.300 0.025 0.000 0.861 234 R HN 0.222 nan 8.270 nan 0.000 0.440 235 V N 1.410 121.312 119.914 -0.020 0.000 2.343 235 V HA -0.233 3.887 4.120 0.000 0.000 0.247 235 V C 1.953 177.956 176.094 -0.152 0.000 1.051 235 V CA 1.807 64.079 62.300 -0.048 0.000 1.036 235 V CB -0.406 31.425 31.823 0.014 0.000 0.654 235 V HN 0.344 nan 8.190 nan 0.000 0.451 236 E N -0.313 119.765 120.200 -0.203 0.000 2.058 236 E HA -0.260 4.090 4.350 0.000 0.000 0.194 236 E C 2.377 178.479 176.600 -0.831 0.000 0.997 236 E CA 1.386 57.502 56.400 -0.473 0.000 0.801 236 E CB -0.205 29.277 29.700 -0.363 0.000 0.746 236 E HN 0.543 nan 8.360 nan 0.000 0.450 237 E N 0.680 120.623 120.200 -0.428 0.000 2.085 237 E HA -0.219 4.131 4.350 0.000 0.000 0.194 237 E C 2.205 178.723 176.600 -0.136 0.000 0.994 237 E CA 1.571 57.853 56.400 -0.197 0.000 0.801 237 E CB -0.063 29.669 29.700 0.054 0.000 0.743 237 E HN 0.238 nan 8.360 nan 0.000 0.453 238 S N 0.379 116.006 115.700 -0.122 0.000 2.387 238 S HA -0.181 4.289 4.470 0.000 0.000 0.230 238 S C 2.161 176.708 174.600 -0.088 0.000 1.035 238 S CA 1.379 59.536 58.200 -0.072 0.000 1.014 238 S CB -0.641 62.525 63.200 -0.056 0.000 0.836 238 S HN 0.298 nan 8.310 nan 0.000 0.466 239 I N 0.153 120.617 120.570 -0.178 0.000 2.202 239 I HA -0.119 4.051 4.170 0.000 0.000 0.242 239 I C 2.382 178.475 176.117 -0.039 0.000 1.091 239 I CA 1.337 62.551 61.300 -0.144 0.000 1.368 239 I CB -0.578 37.300 38.000 -0.204 0.000 1.058 239 I HN 0.218 nan 8.210 nan 0.000 0.410 240 Y N 0.974 121.270 120.300 -0.007 0.000 2.207 240 Y HA -0.236 4.314 4.550 0.000 0.000 0.287 240 Y C 2.636 178.540 175.900 0.007 0.000 1.156 240 Y CA 0.738 58.837 58.100 -0.001 0.000 1.182 240 Y CB -1.063 37.408 38.460 0.020 0.000 0.979 240 Y HN 0.252 nan 8.280 nan 0.000 0.521 241 Q N -1.204 118.683 119.800 0.144 0.000 2.369 241 Q HA -0.103 4.238 4.340 0.000 0.000 0.206 241 Q C 2.367 178.399 176.000 0.054 0.000 0.963 241 Q CA 0.921 56.778 55.803 0.090 0.000 0.894 241 Q CB -0.807 27.968 28.738 0.062 0.000 0.965 241 Q HN 0.526 nan 8.270 nan 0.000 0.475 242 C N 0.428 119.751 119.300 0.038 0.000 2.410 242 C HA -0.089 4.371 4.460 0.000 0.000 0.281 242 C C 1.587 176.593 174.990 0.026 0.000 1.318 242 C CA -0.567 58.464 59.018 0.021 0.000 1.776 242 C CB -0.871 26.871 27.740 0.004 0.000 1.942 242 C HN 0.397 nan 8.230 nan 0.000 0.508 243 C N 1.866 121.192 119.300 0.043 0.000 2.689 243 C HA 0.149 4.609 4.460 0.000 0.000 0.409 243 C C 0.554 175.563 174.990 0.033 0.000 1.293 243 C CA -0.337 58.703 59.018 0.036 0.000 2.136 243 C CB -0.273 27.494 27.740 0.046 0.000 2.719 243 C HN 0.504 nan 8.230 nan 0.000 0.644 244 D N 1.963 122.377 120.400 0.024 0.000 2.346 244 D HA 0.416 5.056 4.640 0.000 0.000 0.260 244 D C -0.612 175.706 176.300 0.031 0.000 1.252 244 D CA 0.497 54.511 54.000 0.024 0.000 0.895 244 D CB -0.034 40.776 40.800 0.017 0.000 1.097 244 D HN 0.392 nan 8.370 nan 0.000 0.489 245 L N 2.204 123.450 121.223 0.038 0.000 2.393 245 L HA 0.634 4.974 4.340 0.000 0.000 0.260 245 L C 0.288 177.190 176.870 0.052 0.000 1.002 245 L CA -1.499 53.370 54.840 0.049 0.000 0.818 245 L CB 1.848 43.944 42.059 0.061 0.000 1.369 245 L HN 0.345 nan 8.230 nan 0.000 0.412 246 A N 2.138 124.995 122.820 0.062 0.000 2.520 246 A HA 0.279 4.599 4.320 0.000 0.000 0.235 246 A C -1.765 175.863 177.584 0.073 0.000 1.065 246 A CA -0.629 51.449 52.037 0.068 0.000 0.764 246 A CB -0.258 18.793 19.000 0.084 0.000 1.002 246 A HN 0.648 nan 8.150 nan 0.000 0.502 247 P HA -0.185 nan 4.420 nan 0.000 0.216 247 P C 1.108 178.447 177.300 0.064 0.000 1.153 247 P CA 1.722 64.854 63.100 0.053 0.000 0.858 247 P CB 0.156 31.883 31.700 0.045 0.000 0.789 248 E N -0.948 119.316 120.200 0.107 0.000 2.150 248 E HA -0.101 4.249 4.350 0.000 0.000 0.193 248 E C 2.035 178.728 176.600 0.155 0.000 0.985 248 E CA 0.958 57.446 56.400 0.146 0.000 0.814 248 E CB -0.381 29.500 29.700 0.302 0.000 0.752 248 E HN 0.161 nan 8.360 nan 0.000 0.466 249 A N 1.567 124.500 122.820 0.187 0.000 1.898 249 A HA -0.166 4.154 4.320 0.000 0.000 0.216 249 A C 2.052 179.691 177.584 0.091 0.000 1.181 249 A CA 1.025 53.172 52.037 0.184 0.000 0.620 249 A CB -0.305 18.792 19.000 0.162 0.000 0.819 249 A HN 0.079 nan 8.150 nan 0.000 0.442 250 R N -1.022 119.518 120.500 0.067 0.000 2.096 250 R HA -0.169 4.171 4.340 0.000 0.000 0.235 250 R C 2.439 178.746 176.300 0.011 0.000 1.127 250 R CA 1.639 57.767 56.100 0.047 0.000 0.968 250 R CB -0.253 30.072 30.300 0.040 0.000 0.861 250 R HN 0.654 nan 8.270 nan 0.000 0.440 251 Q N 0.750 120.536 119.800 -0.023 0.000 2.083 251 Q HA -0.028 4.312 4.340 0.000 0.000 0.198 251 Q C 1.965 177.874 176.000 -0.151 0.000 0.969 251 Q CA 1.765 57.520 55.803 -0.079 0.000 0.838 251 Q CB -0.149 28.532 28.738 -0.095 0.000 0.900 251 Q HN 0.307 nan 8.270 nan 0.000 0.436 252 A N 0.188 122.869 122.820 -0.231 0.000 1.933 252 A HA -0.135 4.185 4.320 0.000 0.000 0.218 252 A C 2.096 179.598 177.584 -0.136 0.000 1.175 252 A CA 1.442 53.271 52.037 -0.346 0.000 0.628 252 A CB -0.712 17.924 19.000 -0.606 0.000 0.814 252 A HN 0.482 nan 8.150 nan 0.000 0.444 253 I N -0.561 119.998 120.570 -0.019 0.000 2.179 253 I HA -0.262 3.908 4.170 0.000 0.000 0.242 253 I C 2.538 178.697 176.117 0.070 0.000 1.088 253 I CA 1.828 63.174 61.300 0.077 0.000 1.357 253 I CB -0.234 37.847 38.000 0.134 0.000 1.051 253 I HN 0.367 nan 8.210 nan 0.000 0.409 254 K N 0.491 120.908 120.400 0.029 0.000 2.032 254 K HA -0.249 4.071 4.320 0.000 0.000 0.209 254 K C 2.371 178.956 176.600 -0.026 0.000 1.048 254 K CA 2.060 58.357 56.287 0.017 0.000 0.927 254 K CB -0.175 32.322 32.500 -0.005 0.000 0.712 254 K HN 0.154 nan 8.250 nan 0.000 0.441 255 S N 0.632 116.283 115.700 -0.081 0.000 2.356 255 S HA -0.096 4.374 4.470 0.000 0.000 0.223 255 S C 1.975 176.482 174.600 -0.154 0.000 1.032 255 S CA 1.191 59.318 58.200 -0.121 0.000 1.005 255 S CB -0.243 62.852 63.200 -0.174 0.000 0.867 255 S HN 0.361 nan 8.310 nan 0.000 0.449 256 L N 0.709 121.813 121.223 -0.199 0.000 2.131 256 L HA -0.085 4.255 4.340 0.000 0.000 0.210 256 L C 2.704 179.287 176.870 -0.479 0.000 1.092 256 L CA 1.389 55.989 54.840 -0.399 0.000 0.759 256 L CB -0.848 40.939 42.059 -0.454 0.000 0.903 256 L HN 0.353 nan 8.230 nan 0.000 0.435 257 T N -1.044 113.438 114.554 -0.119 0.000 2.701 257 T HA -0.135 4.215 4.350 0.000 0.000 0.263 257 T C 1.786 176.496 174.700 0.017 0.000 1.040 257 T CA 1.082 63.237 62.100 0.093 0.000 1.147 257 T CB -0.071 68.915 68.868 0.195 0.000 0.865 257 T HN 0.282 nan 8.240 nan 0.000 0.426 258 E N 1.188 121.379 120.200 -0.016 0.000 2.072 258 E HA -0.047 4.303 4.350 0.000 0.000 0.191 258 E C 2.334 178.914 176.600 -0.034 0.000 0.985 258 E CA 1.022 57.414 56.400 -0.013 0.000 0.801 258 E CB -0.135 29.554 29.700 -0.019 0.000 0.750 258 E HN 0.443 nan 8.360 nan 0.000 0.452 259 R N -0.584 119.867 120.500 -0.083 0.000 2.223 259 R HA 0.106 4.446 4.340 0.000 0.000 0.198 259 R C 1.789 178.026 176.300 -0.105 0.000 0.984 259 R CA 0.216 56.268 56.100 -0.081 0.000 1.018 259 R CB 0.304 30.547 30.300 -0.095 0.000 0.945 259 R HN 0.039 nan 8.270 nan 0.000 0.479 260 L N -2.233 118.884 121.223 -0.176 0.000 2.691 260 L HA 0.192 4.532 4.340 0.000 0.000 0.185 260 L C 1.193 178.031 176.870 -0.053 0.000 1.081 260 L CA 0.819 55.548 54.840 -0.185 0.000 0.865 260 L CB -0.212 41.637 42.059 -0.350 0.000 1.370 260 L HN -0.126 nan 8.230 nan 0.000 0.488 261 Y N 0.338 120.652 120.300 0.024 0.000 2.242 261 Y HA -0.004 4.546 4.550 0.000 0.000 0.291 261 Y C 2.507 178.415 175.900 0.013 0.000 1.137 261 Y CA 1.335 59.458 58.100 0.039 0.000 1.181 261 Y CB -0.802 37.707 38.460 0.082 0.000 0.989 261 Y HN 0.122 nan 8.280 nan 0.000 0.527 262 I N -1.000 119.657 120.570 0.145 0.000 2.394 262 I HA -0.027 4.143 4.170 0.000 0.000 0.251 262 I C 1.232 177.357 176.117 0.013 0.000 1.136 262 I CA 1.275 62.620 61.300 0.075 0.000 1.425 262 I CB -0.360 37.678 38.000 0.063 0.000 1.079 262 I HN 0.289 nan 8.210 nan 0.000 0.425 263 G N -0.932 107.850 108.800 -0.030 0.000 2.324 263 G HA2 0.479 4.439 3.960 0.000 0.000 0.293 263 G HA3 0.479 4.439 3.960 0.000 0.000 0.293 263 G C -1.028 173.699 174.900 -0.288 0.000 1.297 263 G CA -0.169 44.830 45.100 -0.169 0.000 0.853 263 G HN 0.413 nan 8.290 nan 0.000 0.535 264 G N -0.914 107.417 108.800 -0.781 0.000 2.328 264 G HA2 0.688 4.648 3.960 0.000 0.000 0.299 264 G HA3 0.688 4.648 3.960 0.000 0.000 0.299 264 G C -3.477 170.836 174.900 -0.979 0.000 1.435 264 G CA 0.058 44.703 45.100 -0.757 0.000 0.865 264 G HN 0.759 nan 8.290 nan 0.000 0.601 265 P HA 0.434 nan 4.420 nan 0.000 0.271 265 P C -0.449 176.781 177.300 -0.117 0.000 1.218 265 P CA -0.143 62.883 63.100 -0.123 0.000 0.780 265 P CB 1.164 32.912 31.700 0.080 0.000 0.901 266 L N 2.179 123.378 121.223 -0.040 0.000 2.322 266 L HA 0.453 4.793 4.340 0.000 0.000 0.281 266 L C 0.485 177.367 176.870 0.020 0.000 1.014 266 L CA -0.241 54.596 54.840 -0.004 0.000 0.815 266 L CB 1.658 43.765 42.059 0.081 0.000 1.247 266 L HN 0.274 nan 8.230 nan 0.000 0.421 267 T N 1.649 116.189 114.554 -0.023 0.000 2.824 267 T HA 0.307 4.657 4.350 0.000 0.000 0.282 267 T C -0.191 174.489 174.700 -0.033 0.000 0.993 267 T CA -0.815 61.271 62.100 -0.023 0.000 0.967 267 T CB 1.405 70.243 68.868 -0.050 0.000 0.960 267 T HN 0.655 nan 8.240 nan 0.000 0.441 268 N N 0.946 119.643 118.700 -0.006 0.000 2.327 268 N HA 0.101 4.841 4.740 0.000 0.000 0.257 268 N C 1.436 176.934 175.510 -0.021 0.000 1.281 268 N CA -0.247 52.798 53.050 -0.008 0.000 0.942 268 N CB 0.151 38.642 38.487 0.008 0.000 1.199 268 N HN 0.438 nan 8.380 nan 0.000 0.532 269 S N -1.167 114.529 115.700 -0.006 0.000 2.469 269 S HA -0.101 4.369 4.470 0.000 0.000 0.238 269 S C 0.993 175.586 174.600 -0.012 0.000 0.998 269 S CA 0.689 58.888 58.200 -0.002 0.000 0.957 269 S CB -0.425 62.787 63.200 0.020 0.000 0.764 269 S HN 0.634 nan 8.310 nan 0.000 0.514 270 K N 0.741 121.135 120.400 -0.010 0.000 2.444 270 K HA 0.246 4.566 4.320 0.000 0.000 0.193 270 K C 1.180 177.770 176.600 -0.018 0.000 1.024 270 K CA 0.360 56.639 56.287 -0.012 0.000 1.077 270 K CB -0.132 32.365 32.500 -0.006 0.000 0.833 270 K HN 0.546 nan 8.250 nan 0.000 0.517 271 G N 2.064 110.849 108.800 -0.025 0.000 2.148 271 G HA2 -0.301 3.659 3.960 0.000 0.000 0.254 271 G HA3 -0.301 3.659 3.960 0.000 0.000 0.254 271 G C -0.220 174.672 174.900 -0.012 0.000 0.981 271 G CA 0.080 45.163 45.100 -0.029 0.000 0.670 271 G HN 0.384 nan 8.290 nan 0.000 0.528 272 Q N 0.105 119.904 119.800 -0.001 0.000 2.259 272 Q HA 0.268 4.608 4.340 0.000 0.000 0.249 272 Q C 0.430 176.446 176.000 0.026 0.000 0.914 272 Q CA -0.561 55.250 55.803 0.013 0.000 0.904 272 Q CB 0.917 29.666 28.738 0.018 0.000 1.213 272 Q HN 0.398 nan 8.270 nan 0.000 0.428 273 N N 1.620 120.342 118.700 0.038 0.000 2.431 273 N HA -0.014 4.726 4.740 0.000 0.000 0.265 273 N C -0.209 175.354 175.510 0.090 0.000 1.184 273 N CA -0.312 52.773 53.050 0.059 0.000 0.943 273 N CB 0.573 39.097 38.487 0.061 0.000 1.080 273 N HN 0.614 nan 8.380 nan 0.000 0.477 274 C N 2.916 122.288 119.300 0.121 0.000 2.590 274 C HA 0.374 4.834 4.460 0.000 0.000 0.272 274 C C 1.282 176.458 174.990 0.308 0.000 1.338 274 C CA 0.498 59.639 59.018 0.205 0.000 1.746 274 C CB -1.049 26.829 27.740 0.230 0.000 2.020 274 C HN 0.956 nan 8.230 nan 0.000 0.531 275 G N -1.368 107.552 108.800 0.200 0.000 2.334 275 G HA2 0.267 4.227 3.960 0.000 0.000 0.249 275 G HA3 0.267 4.227 3.960 0.000 0.000 0.249 275 G C -2.084 172.870 174.900 0.090 0.000 1.327 275 G CA -0.412 44.766 45.100 0.129 0.000 0.979 275 G HN 0.041 nan 8.290 nan 0.000 0.471 276 Y N 0.753 120.943 120.300 -0.183 0.000 2.470 276 Y HA 0.741 5.291 4.550 0.000 0.000 0.341 276 Y C -0.034 175.730 175.900 -0.225 0.000 1.021 276 Y CA -0.818 57.189 58.100 -0.154 0.000 1.025 276 Y CB 1.913 40.291 38.460 -0.136 0.000 1.266 276 Y HN 0.716 nan 8.280 nan 0.000 0.448 277 R N 4.957 125.139 120.500 -0.530 0.000 2.346 277 R HA 0.540 4.880 4.340 0.000 0.000 0.311 277 R C -0.654 175.390 176.300 -0.426 0.000 0.983 277 R CA -0.544 55.249 56.100 -0.511 0.000 0.880 277 R CB 0.934 31.019 30.300 -0.358 0.000 1.100 277 R HN 0.930 nan 8.270 nan 0.000 0.453 278 R N 3.045 123.307 120.500 -0.396 0.000 2.662 278 R HA 0.202 4.542 4.340 0.000 0.000 0.396 278 R C -0.463 175.699 176.300 -0.230 0.000 1.096 278 R CA -0.279 55.699 56.100 -0.204 0.000 1.081 278 R CB 0.411 30.645 30.300 -0.110 0.000 1.382 278 R HN 0.778 nan 8.270 nan 0.000 0.580 279 C N -1.808 117.301 119.300 -0.320 0.000 3.256 279 C HA 0.623 5.083 4.460 0.000 0.000 0.361 279 C C -0.095 174.830 174.990 -0.109 0.000 1.665 279 C CA -1.567 57.318 59.018 -0.222 0.000 1.445 279 C CB 1.188 28.736 27.740 -0.321 0.000 2.144 279 C HN 0.303 nan 8.230 nan 0.000 0.448 280 R N 1.179 121.669 120.500 -0.016 0.000 2.538 280 R HA 0.456 4.796 4.340 0.000 0.000 0.282 280 R C 0.099 176.453 176.300 0.090 0.000 1.009 280 R CA 0.906 57.046 56.100 0.068 0.000 1.063 280 R CB -0.115 30.267 30.300 0.136 0.000 0.945 280 R HN 1.147 nan 8.270 nan 0.000 0.414 281 A N 3.743 126.631 122.820 0.114 0.000 2.404 281 A HA 0.198 4.518 4.320 0.000 0.000 0.273 281 A C 0.988 178.673 177.584 0.167 0.000 1.144 281 A CA 0.114 52.241 52.037 0.150 0.000 0.806 281 A CB 0.305 19.404 19.000 0.164 0.000 1.080 281 A HN 1.010 nan 8.150 nan 0.000 0.509 282 S N 2.109 117.921 115.700 0.186 0.000 2.515 282 S HA 0.055 4.525 4.470 0.000 0.000 0.231 282 S C 1.086 175.783 174.600 0.162 0.000 0.987 282 S CA 0.750 59.055 58.200 0.174 0.000 0.936 282 S CB 0.068 63.378 63.200 0.183 0.000 0.766 282 S HN 1.202 nan 8.310 nan 0.000 0.528 283 G N 1.672 110.590 108.800 0.196 0.000 4.222 283 G HA2 0.516 4.476 3.960 0.000 0.000 0.301 283 G HA3 0.516 4.476 3.960 0.000 0.000 0.301 283 G C -0.093 174.934 174.900 0.211 0.000 1.171 283 G CA -0.060 45.162 45.100 0.204 0.000 0.937 283 G HN 0.553 nan 8.290 nan 0.000 0.557 284 V N -2.796 117.227 119.914 0.181 0.000 3.113 284 V HA 0.592 4.712 4.120 0.000 0.000 0.316 284 V C 1.370 177.544 176.094 0.132 0.000 1.125 284 V CA -0.953 61.471 62.300 0.206 0.000 1.026 284 V CB 1.664 33.684 31.823 0.328 0.000 1.080 284 V HN 0.040 nan 8.190 nan 0.000 0.444 285 L N 2.210 123.524 121.223 0.152 0.000 2.042 285 L HA -0.055 4.285 4.340 0.000 0.000 0.210 285 L C 2.384 179.263 176.870 0.014 0.000 1.076 285 L CA 3.112 58.019 54.840 0.111 0.000 0.749 285 L CB -0.772 41.377 42.059 0.150 0.000 0.893 285 L HN 1.105 nan 8.230 nan 0.000 0.432 286 T N -5.549 108.936 114.554 -0.116 0.000 3.194 286 T HA -0.020 4.330 4.350 0.000 0.000 0.251 286 T C 1.552 176.192 174.700 -0.101 0.000 1.132 286 T CA 0.778 62.758 62.100 -0.201 0.000 1.028 286 T CB -0.790 67.793 68.868 -0.474 0.000 0.976 286 T HN 0.297 nan 8.240 nan 0.000 0.535 287 T N 1.896 116.428 114.554 -0.037 0.000 2.622 287 T HA -0.154 4.196 4.350 0.000 0.000 0.266 287 T C 2.207 176.927 174.700 0.033 0.000 1.047 287 T CA 1.764 63.880 62.100 0.027 0.000 1.159 287 T CB -0.703 68.206 68.868 0.067 0.000 0.863 287 T HN 0.543 nan 8.240 nan 0.000 0.422 288 S N -0.232 115.464 115.700 -0.006 0.000 2.348 288 S HA -0.158 4.312 4.470 0.000 0.000 0.221 288 S C 2.454 177.073 174.600 0.030 0.000 1.033 288 S CA 1.464 59.652 58.200 -0.020 0.000 1.010 288 S CB -0.976 62.109 63.200 -0.191 0.000 0.891 288 S HN 0.658 nan 8.310 nan 0.000 0.442 289 C N 1.257 120.547 119.300 -0.016 0.000 2.413 289 C HA 0.061 4.521 4.460 0.000 0.000 0.276 289 C C 2.825 177.864 174.990 0.081 0.000 1.236 289 C CA 1.162 60.189 59.018 0.015 0.000 1.735 289 C CB -1.817 25.897 27.740 -0.043 0.000 2.031 289 C HN 0.728 nan 8.230 nan 0.000 0.474 290 G N 0.329 109.187 108.800 0.097 0.000 2.421 290 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 290 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 290 G C 1.520 176.510 174.900 0.150 0.000 1.171 290 G CA 1.079 46.252 45.100 0.121 0.000 0.775 290 G HN 0.579 nan 8.290 nan 0.000 0.543 291 N N 0.393 119.183 118.700 0.150 0.000 2.104 291 N HA -0.083 4.657 4.740 0.000 0.000 0.190 291 N C 2.419 177.954 175.510 0.042 0.000 1.024 291 N CA 1.646 54.783 53.050 0.146 0.000 0.853 291 N CB -0.724 37.752 38.487 -0.019 0.000 1.008 291 N HN 0.254 nan 8.380 nan 0.000 0.424 292 T N 1.615 116.211 114.554 0.071 0.000 2.674 292 T HA -0.025 4.325 4.350 0.000 0.000 0.265 292 T C 2.136 176.911 174.700 0.124 0.000 1.039 292 T CA 0.733 62.892 62.100 0.099 0.000 1.150 292 T CB -0.363 68.635 68.868 0.216 0.000 0.864 292 T HN 0.126 nan 8.240 nan 0.000 0.427 293 L N 0.639 121.922 121.223 0.100 0.000 2.012 293 L HA -0.145 4.195 4.340 0.000 0.000 0.210 293 L C 2.944 179.907 176.870 0.156 0.000 1.073 293 L CA 1.330 56.224 54.840 0.090 0.000 0.748 293 L CB -1.000 41.073 42.059 0.023 0.000 0.891 293 L HN 0.297 nan 8.230 nan 0.000 0.431 294 T N -1.535 113.132 114.554 0.189 0.000 2.777 294 T HA -0.218 4.132 4.350 0.000 0.000 0.266 294 T C 2.006 176.901 174.700 0.326 0.000 1.040 294 T CA 1.380 63.628 62.100 0.247 0.000 1.141 294 T CB -0.426 68.632 68.868 0.316 0.000 0.868 294 T HN 0.459 nan 8.240 nan 0.000 0.444 295 C N 0.613 120.139 119.300 0.377 0.000 2.432 295 C HA -0.080 4.380 4.460 0.000 0.000 0.277 295 C C 2.379 177.511 174.990 0.236 0.000 1.249 295 C CA 0.510 59.729 59.018 0.335 0.000 1.725 295 C CB -1.381 26.424 27.740 0.107 0.000 2.028 295 C HN 0.662 nan 8.230 nan 0.000 0.477 296 Y N 0.947 121.296 120.300 0.081 0.000 2.165 296 Y HA -0.156 4.394 4.550 0.000 0.000 0.286 296 Y C 2.198 178.110 175.900 0.021 0.000 1.155 296 Y CA 2.091 60.220 58.100 0.047 0.000 1.164 296 Y CB -0.493 37.980 38.460 0.020 0.000 0.978 296 Y HN 0.356 nan 8.280 nan 0.000 0.513 297 L N 1.137 122.387 121.223 0.044 0.000 1.970 297 L HA -0.220 4.120 4.340 0.000 0.000 0.212 297 L C 2.143 178.901 176.870 -0.186 0.000 1.071 297 L CA 2.097 56.850 54.840 -0.144 0.000 0.751 297 L CB -0.996 40.977 42.059 -0.143 0.000 0.889 297 L HN 0.154 nan 8.230 nan 0.000 0.432 298 K N -0.428 119.940 120.400 -0.054 0.000 2.032 298 K HA -0.132 4.188 4.320 0.000 0.000 0.209 298 K C 2.091 178.707 176.600 0.026 0.000 1.048 298 K CA 1.547 57.818 56.287 -0.027 0.000 0.927 298 K CB -0.510 32.068 32.500 0.131 0.000 0.712 298 K HN 0.523 nan 8.250 nan 0.000 0.441 299 A N 1.113 123.945 122.820 0.020 0.000 1.902 299 A HA -0.156 4.164 4.320 0.000 0.000 0.217 299 A C 2.236 179.857 177.584 0.062 0.000 1.181 299 A CA 1.895 53.978 52.037 0.076 0.000 0.623 299 A CB -0.591 18.521 19.000 0.187 0.000 0.818 299 A HN 0.197 nan 8.150 nan 0.000 0.443 300 S N 0.119 115.726 115.700 -0.156 0.000 2.359 300 S HA -0.101 4.369 4.470 0.000 0.000 0.224 300 S C 2.297 176.840 174.600 -0.095 0.000 1.035 300 S CA 1.327 59.397 58.200 -0.217 0.000 1.018 300 S CB -0.529 62.356 63.200 -0.525 0.000 0.876 300 S HN 0.813 nan 8.310 nan 0.000 0.448 301 A N 1.475 124.252 122.820 -0.071 0.000 1.933 301 A HA 0.149 4.469 4.320 0.000 0.000 0.218 301 A C 2.346 180.000 177.584 0.117 0.000 1.175 301 A CA 1.652 53.716 52.037 0.045 0.000 0.628 301 A CB -1.008 18.009 19.000 0.029 0.000 0.814 301 A HN 0.521 nan 8.150 nan 0.000 0.444 302 A N -1.118 121.782 122.820 0.133 0.000 1.930 302 A HA -0.120 4.200 4.320 0.000 0.000 0.217 302 A C 2.263 179.901 177.584 0.091 0.000 1.175 302 A CA 1.509 53.501 52.037 -0.075 0.000 0.627 302 A CB -1.216 17.380 19.000 -0.674 0.000 0.815 302 A HN 0.581 nan 8.150 nan 0.000 0.443 303 C N -0.769 118.685 119.300 0.256 0.000 2.413 303 C HA -0.115 4.345 4.460 0.000 0.000 0.276 303 C C 2.898 177.909 174.990 0.035 0.000 1.248 303 C CA 1.221 60.387 59.018 0.247 0.000 1.742 303 C CB -1.307 26.521 27.740 0.147 0.000 2.017 303 C HN 0.609 nan 8.230 nan 0.000 0.481 304 R N 0.935 121.360 120.500 -0.125 0.000 2.075 304 R HA -0.083 4.257 4.340 0.000 0.000 0.232 304 R C 2.432 178.458 176.300 -0.457 0.000 1.126 304 R CA 1.567 57.452 56.100 -0.359 0.000 0.963 304 R CB -0.551 29.399 30.300 -0.583 0.000 0.858 304 R HN 0.541 nan 8.270 nan 0.000 0.435 305 A N 1.379 123.956 122.820 -0.406 0.000 1.908 305 A HA -0.116 4.204 4.320 0.000 0.000 0.218 305 A C 2.266 179.839 177.584 -0.019 0.000 1.181 305 A CA 1.791 53.756 52.037 -0.120 0.000 0.627 305 A CB -0.565 18.425 19.000 -0.017 0.000 0.818 305 A HN 0.402 nan 8.150 nan 0.000 0.445 306 A N -1.409 121.421 122.820 0.017 0.000 2.206 306 A HA 0.231 4.551 4.320 0.000 0.000 0.211 306 A C 1.000 178.609 177.584 0.041 0.000 1.158 306 A CA 0.870 52.945 52.037 0.063 0.000 0.761 306 A CB -0.468 18.632 19.000 0.167 0.000 0.801 306 A HN 0.515 nan 8.150 nan 0.000 0.473 307 K N -0.714 119.694 120.400 0.013 0.000 3.148 307 K HA -0.156 4.164 4.320 0.000 0.000 0.267 307 K C -0.729 175.882 176.600 0.020 0.000 0.996 307 K CA 0.375 56.668 56.287 0.010 0.000 0.737 307 K CB -1.901 30.610 32.500 0.019 0.000 1.308 307 K HN 0.567 nan 8.250 nan 0.000 0.470 308 L N 0.965 122.207 121.223 0.033 0.000 2.453 308 L HA 0.043 4.383 4.340 0.000 0.000 0.272 308 L C 0.889 177.767 176.870 0.012 0.000 1.182 308 L CA -0.110 54.748 54.840 0.030 0.000 0.858 308 L CB 0.382 42.471 42.059 0.049 0.000 1.120 308 L HN 0.182 nan 8.230 nan 0.000 0.474 309 Q N 2.926 122.728 119.800 0.003 0.000 2.314 309 Q HA 0.093 4.433 4.340 0.000 0.000 0.257 309 Q C -0.782 175.208 176.000 -0.018 0.000 0.975 309 Q CA -0.103 55.696 55.803 -0.007 0.000 0.933 309 Q CB 0.517 29.248 28.738 -0.012 0.000 1.195 309 Q HN 0.426 nan 8.270 nan 0.000 0.426 310 D N 2.296 122.688 120.400 -0.015 0.000 2.803 310 D HA -0.183 4.457 4.640 0.000 0.000 0.233 310 D C -0.592 175.694 176.300 -0.024 0.000 1.182 310 D CA 0.908 54.896 54.000 -0.019 0.000 0.726 310 D CB -1.549 39.232 40.800 -0.031 0.000 0.987 310 D HN 0.666 nan 8.370 nan 0.000 0.412 311 C N -0.526 118.766 119.300 -0.013 0.000 2.536 311 C HA 0.689 5.149 4.460 0.000 0.000 0.396 311 C C 0.872 175.859 174.990 -0.006 0.000 1.279 311 C CA -0.583 58.424 59.018 -0.020 0.000 2.148 311 C CB 1.018 28.750 27.740 -0.013 0.000 2.584 311 C HN 0.385 nan 8.230 nan 0.000 0.579 312 T N 4.562 119.108 114.554 -0.014 0.000 2.841 312 T HA 0.646 4.996 4.350 0.000 0.000 0.283 312 T C -0.362 174.366 174.700 0.046 0.000 1.000 312 T CA -0.215 61.910 62.100 0.043 0.000 0.977 312 T CB 1.315 70.194 68.868 0.018 0.000 0.979 312 T HN 0.761 nan 8.240 nan 0.000 0.446 313 M N 2.866 122.542 119.600 0.127 0.000 2.598 313 M HA 0.659 5.139 4.480 0.000 0.000 0.317 313 M C -1.300 175.115 176.300 0.192 0.000 1.179 313 M CA -0.991 54.369 55.300 0.101 0.000 0.936 313 M CB 2.083 34.742 32.600 0.100 0.000 1.713 313 M HN 0.323 nan 8.290 nan 0.000 0.460 314 L N 2.881 124.175 121.223 0.119 0.000 2.372 314 L HA 0.735 5.075 4.340 0.000 0.000 0.274 314 L C -1.593 175.264 176.870 -0.022 0.000 0.988 314 L CA -0.494 54.397 54.840 0.085 0.000 0.833 314 L CB 1.650 43.803 42.059 0.157 0.000 1.236 314 L HN 0.543 nan 8.230 nan 0.000 0.410 315 V N 4.286 124.158 119.914 -0.071 0.000 2.448 315 V HA 0.571 4.691 4.120 0.000 0.000 0.295 315 V C -0.576 175.314 176.094 -0.340 0.000 1.025 315 V CA -0.602 61.635 62.300 -0.106 0.000 0.859 315 V CB 1.776 33.629 31.823 0.051 0.000 0.988 315 V HN 0.799 nan 8.190 nan 0.000 0.431 316 N N 3.615 122.064 118.700 -0.419 0.000 2.664 316 N HA 0.595 5.335 4.740 0.000 0.000 0.257 316 N C 0.576 175.914 175.510 -0.286 0.000 1.108 316 N CA 0.467 53.016 53.050 -0.834 0.000 0.822 316 N CB 1.696 39.564 38.487 -1.032 0.000 1.199 316 N HN 1.091 nan 8.380 nan 0.000 0.529 317 G N 2.306 111.119 108.800 0.022 0.000 2.622 317 G HA2 -0.406 3.554 3.960 0.000 0.000 0.307 317 G HA3 -0.406 3.554 3.960 0.000 0.000 0.307 317 G C 0.538 175.276 174.900 -0.269 0.000 1.226 317 G CA 0.751 45.852 45.100 0.001 0.000 0.997 317 G HN 0.621 nan 8.290 nan 0.000 0.551 318 D N 1.301 121.472 120.400 -0.381 0.000 2.349 318 D HA 0.087 4.727 4.640 0.000 0.000 0.224 318 D C 0.477 176.666 176.300 -0.184 0.000 1.029 318 D CA 0.913 54.557 54.000 -0.593 0.000 0.879 318 D CB -0.154 40.333 40.800 -0.522 0.000 0.906 318 D HN 0.454 nan 8.370 nan 0.000 0.528 319 D N 0.577 120.907 120.400 -0.118 0.000 2.280 319 D HA 0.261 4.901 4.640 0.000 0.000 0.243 319 D C -1.058 175.216 176.300 -0.042 0.000 1.129 319 D CA -0.590 53.380 54.000 -0.049 0.000 0.848 319 D CB 1.006 41.770 40.800 -0.060 0.000 1.107 319 D HN 0.024 nan 8.370 nan 0.000 0.471 320 L N 5.699 126.945 121.223 0.038 0.000 2.376 320 L HA 0.449 4.789 4.340 0.000 0.000 0.275 320 L C -1.517 175.352 176.870 -0.002 0.000 0.987 320 L CA -0.717 54.154 54.840 0.051 0.000 0.828 320 L CB 1.696 43.860 42.059 0.174 0.000 1.249 320 L HN 0.158 nan 8.230 nan 0.000 0.409 321 V N 6.146 126.016 119.914 -0.074 0.000 2.680 321 V HA 0.822 4.942 4.120 0.000 0.000 0.309 321 V C -1.376 174.554 176.094 -0.274 0.000 1.052 321 V CA -0.371 61.824 62.300 -0.176 0.000 0.908 321 V CB 2.349 34.110 31.823 -0.103 0.000 1.001 321 V HN 0.555 nan 8.190 nan 0.000 0.431 322 V N 7.383 126.955 119.914 -0.570 0.000 2.588 322 V HA 0.568 4.688 4.120 0.000 0.000 0.304 322 V C -0.391 175.475 176.094 -0.380 0.000 1.042 322 V CA -0.426 61.538 62.300 -0.560 0.000 0.877 322 V CB 1.772 33.005 31.823 -0.983 0.000 0.996 322 V HN 0.776 nan 8.190 nan 0.000 0.425 323 I N 5.064 125.537 120.570 -0.162 0.000 2.406 323 I HA 0.714 4.884 4.170 0.000 0.000 0.290 323 I C -0.033 176.033 176.117 -0.086 0.000 0.999 323 I CA -0.312 60.950 61.300 -0.064 0.000 1.124 323 I CB 1.603 39.616 38.000 0.021 0.000 1.289 323 I HN 0.896 nan 8.210 nan 0.000 0.441 324 C N 2.705 121.951 119.300 -0.089 0.000 3.340 324 C HA 0.555 5.015 4.460 0.000 0.000 0.333 324 C C -0.693 174.230 174.990 -0.111 0.000 1.464 324 C CA -0.911 58.060 59.018 -0.079 0.000 1.337 324 C CB 1.854 29.580 27.740 -0.023 0.000 1.740 324 C HN 0.627 nan 8.230 nan 0.000 0.450 325 E N 1.813 121.964 120.200 -0.080 0.000 2.259 325 E HA 0.296 4.646 4.350 0.000 0.000 0.281 325 E C 0.116 176.692 176.600 -0.041 0.000 1.037 325 E CA 0.463 56.813 56.400 -0.084 0.000 0.854 325 E CB 1.691 31.352 29.700 -0.064 0.000 1.051 325 E HN 0.709 nan 8.360 nan 0.000 0.409 326 S N 1.704 117.386 115.700 -0.030 0.000 2.572 326 S HA 0.256 4.726 4.470 0.000 0.000 0.279 326 S C 0.451 175.058 174.600 0.011 0.000 1.341 326 S CA 0.082 58.306 58.200 0.042 0.000 1.043 326 S CB 0.575 63.835 63.200 0.099 0.000 0.887 326 S HN 0.530 nan 8.310 nan 0.000 0.516 327 A N 3.271 126.106 122.820 0.025 0.000 2.594 327 A HA 0.651 4.971 4.320 0.000 0.000 0.287 327 A C 0.871 178.453 177.584 -0.003 0.000 1.227 327 A CA 0.220 52.259 52.037 0.004 0.000 0.952 327 A CB -0.928 18.075 19.000 0.005 0.000 1.161 327 A HN 1.896 nan 8.150 nan 0.000 0.524 328 G N -1.052 107.743 108.800 -0.008 0.000 2.662 328 G HA2 -0.004 3.956 3.960 0.000 0.000 0.686 328 G HA3 -0.004 3.956 3.960 0.000 0.000 0.686 328 G C 0.666 175.566 174.900 0.000 0.000 1.271 328 G CA 0.183 45.258 45.100 -0.042 0.000 0.816 328 G HN 1.221 nan 8.290 nan 0.000 0.608 329 T N -1.973 112.558 114.554 -0.039 0.000 2.788 329 T HA -0.188 4.162 4.350 0.000 0.000 0.268 329 T C 2.121 176.855 174.700 0.056 0.000 1.044 329 T CA 2.296 64.422 62.100 0.043 0.000 1.139 329 T CB -0.224 68.641 68.868 -0.005 0.000 0.867 329 T HN 0.884 nan 8.240 nan 0.000 0.454 330 Q N 0.785 120.596 119.800 0.019 0.000 2.016 330 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 330 Q C 2.473 178.482 176.000 0.016 0.000 0.978 330 Q CA 1.834 57.646 55.803 0.015 0.000 0.833 330 Q CB -0.211 28.529 28.738 0.003 0.000 0.895 330 Q HN 0.542 nan 8.270 nan 0.000 0.427 331 E N 0.668 120.877 120.200 0.015 0.000 2.106 331 E HA -0.175 4.175 4.350 0.000 0.000 0.192 331 E C 1.356 177.966 176.600 0.017 0.000 0.984 331 E CA 1.736 58.144 56.400 0.013 0.000 0.806 331 E CB -0.192 29.513 29.700 0.009 0.000 0.750 331 E HN 0.436 nan 8.360 nan 0.000 0.458 332 D N 0.006 120.430 120.400 0.041 0.000 2.117 332 D HA -0.122 4.518 4.640 0.000 0.000 0.197 332 D C 1.739 178.034 176.300 -0.008 0.000 0.987 332 D CA 1.585 55.608 54.000 0.037 0.000 0.829 332 D CB -0.499 40.380 40.800 0.130 0.000 0.961 332 D HN 0.320 nan 8.370 nan 0.000 0.460 333 A N 0.869 123.697 122.820 0.013 0.000 1.972 333 A HA -0.001 4.319 4.320 0.000 0.000 0.219 333 A C 2.271 179.842 177.584 -0.023 0.000 1.169 333 A CA 2.008 54.038 52.037 -0.011 0.000 0.635 333 A CB -0.504 18.503 19.000 0.011 0.000 0.810 333 A HN 0.242 nan 8.150 nan 0.000 0.446 334 A N 0.284 123.098 122.820 -0.010 0.000 1.872 334 A HA -0.019 4.301 4.320 0.000 0.000 0.214 334 A C 2.499 180.078 177.584 -0.009 0.000 1.187 334 A CA 2.010 54.042 52.037 -0.007 0.000 0.614 334 A CB -0.954 18.047 19.000 0.000 0.000 0.826 334 A HN 0.913 nan 8.150 nan 0.000 0.442 335 S N -0.154 115.538 115.700 -0.013 0.000 2.382 335 S HA -0.131 4.339 4.470 0.000 0.000 0.228 335 S C 1.717 176.304 174.600 -0.022 0.000 1.027 335 S CA 1.545 59.741 58.200 -0.007 0.000 0.991 335 S CB -0.580 62.616 63.200 -0.007 0.000 0.823 335 S HN 0.223 nan 8.310 nan 0.000 0.469 336 L N 1.788 122.945 121.223 -0.109 0.000 2.083 336 L HA 0.081 4.421 4.340 0.000 0.000 0.209 336 L C 2.880 179.743 176.870 -0.012 0.000 1.083 336 L CA 1.505 56.235 54.840 -0.184 0.000 0.752 336 L CB -0.600 41.247 42.059 -0.354 0.000 0.899 336 L HN 0.279 nan 8.230 nan 0.000 0.433 337 R N -1.332 119.164 120.500 -0.006 0.000 2.096 337 R HA -0.098 4.242 4.340 0.000 0.000 0.235 337 R C 2.127 178.444 176.300 0.029 0.000 1.127 337 R CA 1.356 57.467 56.100 0.018 0.000 0.968 337 R CB -0.534 29.767 30.300 0.002 0.000 0.861 337 R HN 0.232 nan 8.270 nan 0.000 0.440 338 V N 0.696 120.628 119.914 0.030 0.000 2.358 338 V HA -0.223 3.897 4.120 0.000 0.000 0.246 338 V C 1.943 178.051 176.094 0.023 0.000 1.047 338 V CA 1.577 63.887 62.300 0.017 0.000 1.035 338 V CB -0.595 31.240 31.823 0.020 0.000 0.658 338 V HN 0.195 nan 8.190 nan 0.000 0.452 339 F N 1.657 121.564 119.950 -0.072 0.000 2.126 339 F HA -0.238 4.289 4.527 0.000 0.000 0.299 339 F C 2.395 178.146 175.800 -0.082 0.000 1.096 339 F CA 2.339 60.294 58.000 -0.075 0.000 1.255 339 F CB -0.461 38.496 39.000 -0.071 0.000 0.997 339 F HN 0.119 nan 8.300 nan 0.000 0.479 340 T N -0.124 114.496 114.554 0.110 0.000 2.777 340 T HA -0.163 4.187 4.350 0.000 0.000 0.266 340 T C 1.697 176.377 174.700 -0.033 0.000 1.040 340 T CA 1.600 63.774 62.100 0.122 0.000 1.141 340 T CB -0.316 68.700 68.868 0.247 0.000 0.868 340 T HN 0.374 nan 8.240 nan 0.000 0.444 341 E N 1.098 121.263 120.200 -0.058 0.000 2.085 341 E HA -0.093 4.257 4.350 0.000 0.000 0.194 341 E C 2.537 179.006 176.600 -0.218 0.000 0.994 341 E CA 1.071 57.409 56.400 -0.104 0.000 0.801 341 E CB -0.214 29.440 29.700 -0.076 0.000 0.743 341 E HN 0.480 nan 8.360 nan 0.000 0.453 342 A N 1.044 123.680 122.820 -0.307 0.000 1.898 342 A HA -0.181 4.139 4.320 0.000 0.000 0.216 342 A C 2.145 179.293 177.584 -0.726 0.000 1.181 342 A CA 1.216 52.928 52.037 -0.541 0.000 0.620 342 A CB -0.304 18.415 19.000 -0.469 0.000 0.819 342 A HN 0.120 nan 8.150 nan 0.000 0.442 343 M N -0.213 119.060 119.600 -0.545 0.000 2.108 343 M HA -0.122 4.358 4.480 0.000 0.000 0.261 343 M C 2.192 178.398 176.300 -0.157 0.000 1.066 343 M CA 2.083 57.179 55.300 -0.340 0.000 1.107 343 M CB -1.974 30.351 32.600 -0.458 0.000 1.356 343 M HN 0.453 nan 8.290 nan 0.000 0.406 344 T N 0.152 114.624 114.554 -0.135 0.000 2.746 344 T HA -0.133 4.217 4.350 0.000 0.000 0.267 344 T C 1.961 176.592 174.700 -0.115 0.000 1.039 344 T CA 1.186 63.241 62.100 -0.075 0.000 1.142 344 T CB -0.227 68.609 68.868 -0.054 0.000 0.866 344 T HN 0.385 nan 8.240 nan 0.000 0.444 345 R N -0.005 120.363 120.500 -0.221 0.000 2.120 345 R HA -0.068 4.272 4.340 0.000 0.000 0.234 345 R C 1.740 177.960 176.300 -0.134 0.000 1.123 345 R CA 1.145 57.110 56.100 -0.224 0.000 0.975 345 R CB -0.299 29.803 30.300 -0.331 0.000 0.866 345 R HN 0.431 nan 8.270 nan 0.000 0.446 346 Y N 0.838 121.069 120.300 -0.114 0.000 2.529 346 Y HA -0.002 4.549 4.550 0.000 0.000 0.290 346 Y C 0.869 176.707 175.900 -0.103 0.000 1.177 346 Y CA 0.078 58.099 58.100 -0.132 0.000 1.305 346 Y CB -0.579 37.828 38.460 -0.087 0.000 1.047 346 Y HN 0.103 nan 8.280 nan 0.000 0.522 347 S N -0.583 115.145 115.700 0.048 0.000 3.791 347 S HA -0.116 4.355 4.470 0.000 0.000 0.393 347 S C -0.088 174.522 174.600 0.016 0.000 0.936 347 S CA 0.379 58.594 58.200 0.025 0.000 1.234 347 S CB -1.729 61.480 63.200 0.015 0.000 0.891 347 S HN 0.902 nan 8.310 nan 0.000 0.519 348 A N 1.156 124.009 122.820 0.055 0.000 3.453 348 A HA 0.667 4.987 4.320 0.000 0.000 0.262 348 A C -2.079 175.632 177.584 0.212 0.000 1.026 348 A CA -0.748 51.354 52.037 0.108 0.000 0.938 348 A CB 0.933 20.032 19.000 0.165 0.000 1.246 348 A HN 0.535 nan 8.150 nan 0.000 0.546 349 P HA 0.343 nan 4.420 nan 0.000 0.274 349 P C -2.924 174.431 177.300 0.092 0.000 1.231 349 P CA -1.133 62.027 63.100 0.100 0.000 0.790 349 P CB 0.913 32.601 31.700 -0.021 0.000 0.951 350 P HA 0.131 nan 4.420 nan 0.000 0.278 350 P C 0.679 177.912 177.300 -0.113 0.000 1.258 350 P CA -0.039 62.954 63.100 -0.178 0.000 0.811 350 P CB 0.868 32.404 31.700 -0.273 0.000 1.063 351 G N 1.156 109.884 108.800 -0.120 0.000 2.629 351 G HA2 -0.000 3.960 3.960 0.000 0.000 0.213 351 G HA3 -0.000 3.960 3.960 0.000 0.000 0.213 351 G C -0.187 174.666 174.900 -0.077 0.000 1.425 351 G CA 0.042 45.099 45.100 -0.071 0.000 0.929 351 G HN 0.520 nan 8.290 nan 0.000 0.527 352 D N 2.270 122.624 120.400 -0.076 0.000 2.350 352 D HA 0.312 4.952 4.640 0.000 0.000 0.249 352 D C -2.367 173.881 176.300 -0.087 0.000 1.119 352 D CA -0.955 53.007 54.000 -0.062 0.000 0.886 352 D CB 1.098 41.873 40.800 -0.042 0.000 1.195 352 D HN 0.006 nan 8.370 nan 0.000 0.437 353 P HA 0.147 nan 4.420 nan 0.000 0.271 353 P C -2.290 174.994 177.300 -0.028 0.000 1.218 353 P CA -0.932 62.144 63.100 -0.041 0.000 0.780 353 P CB -0.191 31.500 31.700 -0.015 0.000 0.901 354 P HA 0.129 nan 4.420 nan 0.000 0.274 354 P C -1.082 176.198 177.300 -0.034 0.000 1.237 354 P CA -0.171 62.945 63.100 0.027 0.000 0.793 354 P CB 0.597 32.359 31.700 0.104 0.000 0.977 355 Q N 0.465 120.257 119.800 -0.012 0.000 2.372 355 Q HA 0.619 4.959 4.340 0.000 0.000 0.273 355 Q C -2.939 173.035 176.000 -0.044 0.000 1.078 355 Q CA -2.453 53.329 55.803 -0.035 0.000 0.806 355 Q CB 1.805 30.540 28.738 -0.004 0.000 1.332 355 Q HN 0.167 nan 8.270 nan 0.000 0.435 356 P HA 0.116 nan 4.420 nan 0.000 0.271 356 P C -0.951 176.154 177.300 -0.325 0.000 1.216 356 P CA 0.092 63.065 63.100 -0.211 0.000 0.776 356 P CB 0.663 32.236 31.700 -0.213 0.000 0.881 357 E N 1.797 121.752 120.200 -0.409 0.000 2.256 357 E HA 0.202 4.552 4.350 0.000 0.000 0.268 357 E C -0.656 175.762 176.600 -0.302 0.000 0.877 357 E CA -0.358 55.880 56.400 -0.270 0.000 0.757 357 E CB 1.505 31.173 29.700 -0.054 0.000 1.183 357 E HN 0.425 nan 8.360 nan 0.000 0.418 358 Y N 0.036 120.480 120.300 0.240 0.000 2.531 358 Y HA 0.175 4.725 4.550 0.000 0.000 0.249 358 Y C 0.280 176.426 175.900 0.410 0.000 1.168 358 Y CA -0.396 57.901 58.100 0.328 0.000 1.226 358 Y CB 0.905 39.463 38.460 0.164 0.000 1.177 358 Y HN 0.245 nan 8.280 nan 0.000 0.527 359 D N 0.340 120.907 120.400 0.279 0.000 2.542 359 D HA 0.105 4.745 4.640 0.000 0.000 0.252 359 D C 0.643 176.730 176.300 -0.355 0.000 1.222 359 D CA -0.365 53.660 54.000 0.041 0.000 0.895 359 D CB 1.575 42.405 40.800 0.050 0.000 1.207 359 D HN 0.116 nan 8.370 nan 0.000 0.558 360 L N 4.187 124.845 121.223 -0.943 0.000 2.129 360 L HA -0.097 4.243 4.340 0.000 0.000 0.212 360 L C 1.533 178.066 176.870 -0.561 0.000 1.087 360 L CA 1.958 56.067 54.840 -1.217 0.000 0.757 360 L CB -0.219 40.877 42.059 -1.604 0.000 0.896 360 L HN 0.511 nan 8.230 nan 0.000 0.434 361 E N -0.868 119.114 120.200 -0.363 0.000 2.418 361 E HA -0.095 4.255 4.350 0.000 0.000 0.197 361 E C 1.675 178.187 176.600 -0.147 0.000 1.026 361 E CA 0.580 56.856 56.400 -0.208 0.000 0.862 361 E CB -0.075 29.553 29.700 -0.120 0.000 0.799 361 E HN 0.541 nan 8.360 nan 0.000 0.518 362 L N 0.808 121.942 121.223 -0.148 0.000 2.667 362 L HA 0.251 4.591 4.340 0.000 0.000 0.232 362 L C 0.408 177.229 176.870 -0.082 0.000 1.138 362 L CA -0.199 54.591 54.840 -0.083 0.000 0.921 362 L CB 0.373 42.408 42.059 -0.041 0.000 1.180 362 L HN 0.000 nan 8.230 nan 0.000 0.487 363 I N 0.083 120.576 120.570 -0.129 0.000 2.325 363 I HA 0.130 4.300 4.170 0.000 0.000 0.291 363 I C 0.098 176.170 176.117 -0.075 0.000 1.019 363 I CA 0.137 61.379 61.300 -0.096 0.000 1.302 363 I CB 1.441 39.363 38.000 -0.130 0.000 1.401 363 I HN -0.082 nan 8.210 nan 0.000 0.485 364 T N 5.080 119.612 114.554 -0.036 0.000 2.749 364 T HA 0.409 4.759 4.350 0.000 0.000 0.287 364 T C -0.200 174.497 174.700 -0.006 0.000 0.970 364 T CA -0.530 61.560 62.100 -0.016 0.000 0.980 364 T CB 0.775 69.640 68.868 -0.004 0.000 0.924 364 T HN 0.711 nan 8.240 nan 0.000 0.456 365 S N 1.403 117.102 115.700 -0.003 0.000 2.619 365 S HA 0.392 4.862 4.470 0.000 0.000 0.280 365 S C 0.088 174.699 174.600 0.018 0.000 1.150 365 S CA -0.729 57.469 58.200 -0.003 0.000 0.978 365 S CB 0.494 63.678 63.200 -0.028 0.000 1.041 365 S HN 0.891 nan 8.310 nan 0.000 0.485 366 C N 2.763 122.076 119.300 0.021 0.000 4.300 366 C HA -0.165 4.295 4.460 0.000 0.000 0.304 366 C C 1.382 176.440 174.990 0.113 0.000 1.367 366 C CA 0.751 59.805 59.018 0.060 0.000 2.032 366 C CB -3.245 24.527 27.740 0.052 0.000 1.285 366 C HN 1.762 nan 8.230 nan 0.000 0.737 367 S N -1.665 114.086 115.700 0.086 0.000 3.358 367 S HA -0.209 4.261 4.470 0.000 0.000 0.309 367 S C 0.281 174.935 174.600 0.091 0.000 1.247 367 S CA 1.344 59.594 58.200 0.084 0.000 0.961 367 S CB -0.814 62.447 63.200 0.103 0.000 1.074 367 S HN 1.026 nan 8.310 nan 0.000 0.625 368 S N 1.721 117.482 115.700 0.103 0.000 2.632 368 S HA 0.771 5.241 4.470 0.000 0.000 0.289 368 S C -0.378 174.253 174.600 0.051 0.000 1.115 368 S CA -0.879 57.400 58.200 0.130 0.000 0.889 368 S CB 1.835 65.173 63.200 0.229 0.000 1.116 368 S HN 0.605 nan 8.310 nan 0.000 0.486 369 N N -0.641 118.078 118.700 0.031 0.000 2.494 369 N HA 0.426 5.166 4.740 0.000 0.000 0.270 369 N C -1.593 173.859 175.510 -0.095 0.000 1.285 369 N CA -0.576 52.447 53.050 -0.045 0.000 0.812 369 N CB 1.105 39.556 38.487 -0.060 0.000 1.557 369 N HN 0.329 nan 8.380 nan 0.000 0.487 370 V N 0.564 120.387 119.914 -0.153 0.000 2.649 370 V HA 0.427 4.547 4.120 0.000 0.000 0.292 370 V C 0.468 176.436 176.094 -0.209 0.000 1.055 370 V CA 0.070 62.252 62.300 -0.195 0.000 1.023 370 V CB 0.938 32.624 31.823 -0.227 0.000 0.992 370 V HN 0.852 nan 8.190 nan 0.000 0.480 371 S N 2.888 118.385 115.700 -0.339 0.000 2.685 371 S HA 0.736 5.206 4.470 0.000 0.000 0.282 371 S C -1.416 173.072 174.600 -0.186 0.000 1.159 371 S CA -0.478 57.563 58.200 -0.266 0.000 0.833 371 S CB 2.054 65.088 63.200 -0.277 0.000 1.151 371 S HN 0.689 nan 8.310 nan 0.000 0.485 372 V N 1.672 121.592 119.914 0.009 0.000 2.540 372 V HA 0.949 5.069 4.120 0.000 0.000 0.302 372 V C -0.024 176.101 176.094 0.051 0.000 1.035 372 V CA 0.323 62.594 62.300 -0.048 0.000 0.873 372 V CB 0.771 32.448 31.823 -0.243 0.000 0.992 372 V HN 1.253 nan 8.190 nan 0.000 0.428 373 A N 5.480 128.234 122.820 -0.109 0.000 2.686 373 A HA 0.841 5.161 4.320 0.000 0.000 0.263 373 A C -0.921 176.375 177.584 -0.482 0.000 1.264 373 A CA -0.610 51.219 52.037 -0.345 0.000 0.799 373 A CB 1.569 20.088 19.000 -0.802 0.000 1.363 373 A HN 0.917 nan 8.150 nan 0.000 0.507 374 H N 0.342 119.049 119.070 -0.605 0.000 2.667 374 H HA 0.324 4.880 4.556 0.000 0.000 0.353 374 H C -1.086 173.904 175.328 -0.564 0.000 1.072 374 H CA -0.596 55.106 56.048 -0.576 0.000 1.214 374 H CB 1.784 31.115 29.762 -0.719 0.000 1.600 374 H HN 0.905 nan 8.280 nan 0.000 0.527 375 D N 1.371 121.657 120.400 -0.191 0.000 2.398 375 D HA 0.110 4.750 4.640 0.000 0.000 0.264 375 D C 1.366 177.716 176.300 0.084 0.000 1.263 375 D CA -0.328 53.629 54.000 -0.072 0.000 1.037 375 D CB 0.391 41.161 40.800 -0.049 0.000 1.101 375 D HN 0.450 nan 8.370 nan 0.000 0.551 376 A N -0.458 122.428 122.820 0.109 0.000 1.972 376 A HA -0.124 4.197 4.320 0.000 0.000 0.219 376 A C 2.116 179.772 177.584 0.120 0.000 1.169 376 A CA 1.680 53.800 52.037 0.139 0.000 0.635 376 A CB -0.940 18.111 19.000 0.086 0.000 0.810 376 A HN 0.470 nan 8.150 nan 0.000 0.446 377 S N -1.742 114.009 115.700 0.084 0.000 2.481 377 S HA 0.276 4.746 4.470 0.000 0.000 0.231 377 S C 1.583 176.237 174.600 0.090 0.000 0.996 377 S CA 1.077 59.317 58.200 0.066 0.000 0.942 377 S CB -0.058 63.165 63.200 0.038 0.000 0.768 377 S HN 1.634 nan 8.310 nan 0.000 0.520 378 G N 1.392 110.276 108.800 0.140 0.000 2.176 378 G HA2 -0.255 3.705 3.960 0.000 0.000 0.232 378 G HA3 -0.255 3.705 3.960 0.000 0.000 0.232 378 G C 0.092 175.077 174.900 0.141 0.000 0.986 378 G CA 0.016 45.225 45.100 0.183 0.000 0.643 378 G HN 0.463 nan 8.290 nan 0.000 0.522 379 K N 1.273 121.692 120.400 0.032 0.000 2.451 379 K HA 0.278 4.598 4.320 0.000 0.000 0.280 379 K C 0.818 177.296 176.600 -0.203 0.000 1.020 379 K CA -0.445 55.810 56.287 -0.054 0.000 1.008 379 K CB 0.218 32.687 32.500 -0.050 0.000 0.917 379 K HN 0.352 nan 8.250 nan 0.000 0.478 380 R N 1.837 122.140 120.500 -0.328 0.000 2.570 380 R HA 0.099 4.439 4.340 0.000 0.000 0.277 380 R C -0.603 175.430 176.300 -0.445 0.000 1.039 380 R CA -0.128 55.628 56.100 -0.573 0.000 1.065 380 R CB 0.686 30.669 30.300 -0.528 0.000 0.964 380 R HN 0.271 nan 8.270 nan 0.000 0.428 381 V N 4.418 124.037 119.914 -0.491 0.000 2.686 381 V HA 0.252 4.373 4.120 0.000 0.000 0.306 381 V C -1.152 174.768 176.094 -0.290 0.000 1.065 381 V CA -0.864 61.252 62.300 -0.307 0.000 0.894 381 V CB 1.571 33.271 31.823 -0.205 0.000 1.004 381 V HN 0.573 nan 8.190 nan 0.000 0.424 382 Y N 5.089 125.382 120.300 -0.012 0.000 2.310 382 Y HA 0.715 5.265 4.550 0.000 0.000 0.326 382 Y C -0.030 175.926 175.900 0.094 0.000 1.151 382 Y CA -0.349 57.750 58.100 -0.002 0.000 1.195 382 Y CB 1.392 39.807 38.460 -0.075 0.000 1.210 382 Y HN 0.722 nan 8.280 nan 0.000 0.483 383 Y N 0.201 120.564 120.300 0.105 0.000 2.656 383 Y HA 0.637 5.187 4.550 0.000 0.000 0.334 383 Y C -2.288 173.663 175.900 0.085 0.000 1.179 383 Y CA -1.923 56.211 58.100 0.057 0.000 1.050 383 Y CB 0.617 39.078 38.460 0.001 0.000 1.308 383 Y HN 0.459 nan 8.280 nan 0.000 0.456 384 L N 2.399 123.650 121.223 0.046 0.000 2.276 384 L HA 0.707 5.047 4.340 0.000 0.000 0.286 384 L C 0.117 177.131 176.870 0.239 0.000 1.061 384 L CA 0.530 55.401 54.840 0.052 0.000 0.807 384 L CB 1.200 43.334 42.059 0.124 0.000 1.177 384 L HN 1.026 nan 8.230 nan 0.000 0.429 385 T N 4.530 119.179 114.554 0.159 0.000 2.742 385 T HA 0.879 5.229 4.350 0.000 0.000 0.282 385 T C -1.062 173.772 174.700 0.224 0.000 1.025 385 T CA -0.612 61.678 62.100 0.317 0.000 1.020 385 T CB 1.112 70.149 68.868 0.282 0.000 1.317 385 T HN 0.823 nan 8.240 nan 0.000 0.538 386 R N 0.404 120.992 120.500 0.147 0.000 2.728 386 R HA 0.434 4.774 4.340 0.000 0.000 0.274 386 R C -1.579 174.597 176.300 -0.207 0.000 1.030 386 R CA -0.982 55.085 56.100 -0.054 0.000 0.876 386 R CB 0.379 30.574 30.300 -0.174 0.000 1.259 386 R HN 0.525 nan 8.270 nan 0.000 0.468 387 D N 2.062 122.326 120.400 -0.228 0.000 2.450 387 D HA 0.051 4.691 4.640 0.000 0.000 0.247 387 D C -1.336 174.616 176.300 -0.580 0.000 1.162 387 D CA -1.293 52.518 54.000 -0.315 0.000 0.879 387 D CB 1.268 41.960 40.800 -0.181 0.000 1.163 387 D HN 0.361 nan 8.370 nan 0.000 0.472 388 P HA -0.008 nan 4.420 nan 0.000 0.245 388 P C 1.111 178.094 177.300 -0.527 0.000 1.212 388 P CA 0.159 62.601 63.100 -1.097 0.000 0.774 388 P CB 0.325 31.304 31.700 -1.203 0.000 0.999 389 T N -0.040 114.320 114.554 -0.323 0.000 2.652 389 T HA -0.112 4.238 4.350 0.000 0.000 0.267 389 T C 1.750 176.388 174.700 -0.103 0.000 1.039 389 T CA 2.323 64.329 62.100 -0.157 0.000 1.153 389 T CB -0.949 67.870 68.868 -0.082 0.000 0.863 389 T HN 0.219 nan 8.240 nan 0.000 0.428 390 T N 2.095 116.591 114.554 -0.096 0.000 2.777 390 T HA -0.035 4.315 4.350 0.000 0.000 0.266 390 T C -0.565 174.094 174.700 -0.069 0.000 1.040 390 T CA 1.004 63.077 62.100 -0.046 0.000 1.141 390 T CB -1.266 67.613 68.868 0.018 0.000 0.868 390 T HN 0.337 nan 8.240 nan 0.000 0.444 391 P HA -0.002 nan 4.420 nan 0.000 0.216 391 P C 1.446 178.762 177.300 0.026 0.000 1.150 391 P CA 0.873 63.951 63.100 -0.036 0.000 0.837 391 P CB -0.173 31.449 31.700 -0.129 0.000 0.786 392 L N -1.307 119.886 121.223 -0.050 0.000 2.072 392 L HA -0.116 4.224 4.340 0.000 0.000 0.205 392 L C 2.502 179.408 176.870 0.059 0.000 1.079 392 L CA 1.402 56.246 54.840 0.007 0.000 0.752 392 L CB -1.168 40.855 42.059 -0.061 0.000 0.906 392 L HN -0.065 nan 8.230 nan 0.000 0.436 393 A N 0.308 123.153 122.820 0.042 0.000 1.883 393 A HA -0.236 4.084 4.320 0.000 0.000 0.217 393 A C 2.381 180.038 177.584 0.123 0.000 1.186 393 A CA 1.718 53.803 52.037 0.081 0.000 0.624 393 A CB -0.511 18.514 19.000 0.042 0.000 0.822 393 A HN 0.325 nan 8.150 nan 0.000 0.444 394 R N -0.659 119.885 120.500 0.073 0.000 2.081 394 R HA -0.069 4.271 4.340 0.000 0.000 0.235 394 R C 2.478 178.938 176.300 0.267 0.000 1.131 394 R CA 1.212 57.376 56.100 0.108 0.000 0.960 394 R CB -0.500 29.808 30.300 0.013 0.000 0.856 394 R HN 0.512 nan 8.270 nan 0.000 0.436 395 A N 1.242 124.247 122.820 0.309 0.000 1.972 395 A HA -0.109 4.211 4.320 0.000 0.000 0.219 395 A C 2.342 180.177 177.584 0.418 0.000 1.169 395 A CA 1.653 53.998 52.037 0.514 0.000 0.635 395 A CB -0.527 18.822 19.000 0.582 0.000 0.810 395 A HN 0.409 nan 8.150 nan 0.000 0.446 396 A N -1.330 121.642 122.820 0.253 0.000 1.898 396 A HA -0.154 4.166 4.320 0.000 0.000 0.216 396 A C 2.090 179.791 177.584 0.194 0.000 1.181 396 A CA 1.268 53.407 52.037 0.170 0.000 0.620 396 A CB -0.824 18.254 19.000 0.130 0.000 0.819 396 A HN 0.817 nan 8.150 nan 0.000 0.442 397 W N 1.002 122.352 121.300 0.082 0.000 2.355 397 W HA -0.167 4.493 4.660 0.000 0.000 0.309 397 W C 1.759 178.340 176.519 0.105 0.000 1.206 397 W CA 2.022 59.405 57.345 0.062 0.000 1.284 397 W CB -0.349 29.128 29.460 0.028 0.000 1.145 397 W HN 0.546 nan 8.180 nan 0.000 0.502 398 E N -0.797 119.685 120.200 0.470 0.000 2.265 398 E HA -0.164 4.186 4.350 0.000 0.000 0.196 398 E C 1.968 178.775 176.600 0.344 0.000 0.996 398 E CA 1.742 58.401 56.400 0.432 0.000 0.832 398 E CB -0.234 29.779 29.700 0.522 0.000 0.756 398 E HN 0.083 nan 8.360 nan 0.000 0.491 399 T N -0.004 114.717 114.554 0.279 0.000 2.833 399 T HA -0.106 4.244 4.350 0.000 0.000 0.269 399 T C 1.660 176.389 174.700 0.048 0.000 1.054 399 T CA 1.298 63.486 62.100 0.146 0.000 1.135 399 T CB 0.044 69.004 68.868 0.154 0.000 0.869 399 T HN 0.243 nan 8.240 nan 0.000 0.466 400 A N -0.129 122.689 122.820 -0.004 0.000 2.287 400 A HA 0.359 4.679 4.320 0.000 0.000 0.214 400 A C 0.898 178.429 177.584 -0.088 0.000 1.228 400 A CA -0.162 51.823 52.037 -0.087 0.000 0.939 400 A CB 0.632 19.519 19.000 -0.188 0.000 0.992 400 A HN 0.107 nan 8.150 nan 0.000 0.502 401 R N 0.203 120.680 120.500 -0.038 0.000 2.575 401 R HA 0.448 4.788 4.340 0.000 0.000 0.293 401 R C -0.558 175.828 176.300 0.143 0.000 0.983 401 R CA 0.020 56.136 56.100 0.027 0.000 0.887 401 R CB 0.599 30.900 30.300 0.001 0.000 1.184 401 R HN 0.512 nan 8.270 nan 0.000 0.445 402 H N 0.833 119.968 119.070 0.109 0.000 2.928 402 H HA 0.246 4.802 4.556 0.000 0.000 0.338 402 H C 0.474 175.874 175.328 0.120 0.000 1.047 402 H CA 0.538 56.654 56.048 0.114 0.000 1.435 402 H CB 0.066 29.869 29.762 0.069 0.000 1.428 402 H HN 0.617 nan 8.280 nan 0.000 0.590 403 T N 0.535 115.156 114.554 0.112 0.000 2.906 403 T HA 0.505 4.855 4.350 0.000 0.000 0.295 403 T C -1.908 172.790 174.700 -0.005 0.000 1.061 403 T CA -1.051 61.087 62.100 0.063 0.000 1.000 403 T CB 2.062 70.986 68.868 0.093 0.000 1.103 403 T HN 0.450 nan 8.240 nan 0.000 0.486 404 P HA 0.172 nan 4.420 nan 0.000 0.227 404 P C -0.127 177.164 177.300 -0.016 0.000 1.161 404 P CA 0.181 63.222 63.100 -0.099 0.000 0.788 404 P CB 0.140 31.718 31.700 -0.204 0.000 0.822 405 V N 1.884 121.777 119.914 -0.035 0.000 2.444 405 V HA 0.253 4.373 4.120 0.000 0.000 0.294 405 V C -0.136 175.915 176.094 -0.073 0.000 1.022 405 V CA -0.831 61.437 62.300 -0.053 0.000 0.850 405 V CB 1.584 33.370 31.823 -0.061 0.000 0.992 405 V HN 0.003 nan 8.190 nan 0.000 0.426 406 N N 3.059 121.670 118.700 -0.148 0.000 2.469 406 N HA 0.089 4.829 4.740 0.000 0.000 0.239 406 N C 1.285 176.568 175.510 -0.379 0.000 1.053 406 N CA 0.126 53.011 53.050 -0.275 0.000 0.937 406 N CB 1.802 39.982 38.487 -0.512 0.000 1.163 406 N HN 0.830 nan 8.380 nan 0.000 0.509 407 S N 2.380 117.978 115.700 -0.170 0.000 2.406 407 S HA -0.096 4.375 4.470 0.000 0.000 0.228 407 S C 1.859 176.406 174.600 -0.089 0.000 1.020 407 S CA 0.026 58.166 58.200 -0.100 0.000 0.965 407 S CB -0.395 62.802 63.200 -0.005 0.000 0.798 407 S HN 0.798 nan 8.310 nan 0.000 0.488 408 W N 1.427 122.646 121.300 -0.135 0.000 2.325 408 W HA -0.091 4.569 4.660 -0.000 0.000 0.299 408 W C 1.638 178.065 176.519 -0.154 0.000 1.215 408 W CA 0.578 57.791 57.345 -0.220 0.000 1.244 408 W CB -1.028 27.924 29.460 -0.848 0.000 1.140 408 W HN 0.360 nan 8.180 nan 0.000 0.523 409 L N 2.707 123.309 121.223 -1.036 0.000 2.068 409 L HA 0.205 4.545 4.340 0.000 0.000 0.204 409 L C 2.715 179.383 176.870 -0.336 0.000 1.076 409 L CA 2.727 57.011 54.840 -0.927 0.000 0.753 409 L CB -1.438 39.846 42.059 -1.291 0.000 0.910 409 L HN 0.045 nan 8.230 nan 0.000 0.439 410 G N -0.504 108.125 108.800 -0.284 0.000 2.440 410 G HA2 -0.318 3.642 3.960 0.000 0.000 0.218 410 G HA3 -0.318 3.642 3.960 0.000 0.000 0.218 410 G C 1.479 176.384 174.900 0.009 0.000 1.154 410 G CA 0.812 45.833 45.100 -0.133 0.000 0.767 410 G HN 0.435 nan 8.290 nan 0.000 0.552 411 N N 0.637 119.403 118.700 0.109 0.000 2.104 411 N HA -0.053 4.687 4.740 0.000 0.000 0.190 411 N C 2.250 177.927 175.510 0.278 0.000 1.024 411 N CA 0.820 54.069 53.050 0.332 0.000 0.853 411 N CB -0.250 38.495 38.487 0.430 0.000 1.008 411 N HN 0.349 nan 8.380 nan 0.000 0.424 412 I N 0.912 121.597 120.570 0.192 0.000 2.226 412 I HA -0.232 3.938 4.170 0.000 0.000 0.245 412 I C 2.020 178.204 176.117 0.112 0.000 1.100 412 I CA 0.843 62.240 61.300 0.162 0.000 1.374 412 I CB -0.163 37.993 38.000 0.261 0.000 1.057 412 I HN 0.059 nan 8.210 nan 0.000 0.413 413 I N -0.065 120.566 120.570 0.101 0.000 2.142 413 I HA -0.314 3.856 4.170 0.000 0.000 0.240 413 I C 2.518 178.737 176.117 0.170 0.000 1.078 413 I CA 1.318 62.701 61.300 0.139 0.000 1.343 413 I CB -0.288 37.775 38.000 0.104 0.000 1.046 413 I HN 0.210 nan 8.210 nan 0.000 0.405 414 M N -0.638 118.976 119.600 0.023 0.000 2.254 414 M HA -0.127 4.353 4.480 0.000 0.000 0.265 414 M C 1.156 177.230 176.300 -0.377 0.000 1.066 414 M CA 1.747 56.936 55.300 -0.185 0.000 1.123 414 M CB -0.780 31.577 32.600 -0.406 0.000 1.388 414 M HN 0.220 nan 8.290 nan 0.000 0.425 415 Y N -0.835 119.467 120.300 0.003 0.000 2.696 415 Y HA 0.487 5.037 4.550 0.000 0.000 0.260 415 Y C 1.804 177.442 175.900 -0.436 0.000 1.165 415 Y CA -0.309 57.662 58.100 -0.215 0.000 1.189 415 Y CB -0.938 37.333 38.460 -0.315 0.000 1.180 415 Y HN 0.144 nan 8.280 nan 0.000 0.538 416 A N 1.120 123.758 122.820 -0.302 0.000 1.927 416 A HA -0.186 4.134 4.320 0.000 0.000 0.220 416 A C -0.346 176.970 177.584 -0.446 0.000 1.185 416 A CA 1.834 53.657 52.037 -0.358 0.000 0.639 416 A CB -1.470 17.323 19.000 -0.344 0.000 0.820 416 A HN 0.271 nan 8.150 nan 0.000 0.451 417 P HA 0.015 nan 4.420 nan 0.000 0.234 417 P C 0.585 177.632 177.300 -0.422 0.000 1.167 417 P CA 1.243 64.075 63.100 -0.446 0.000 0.763 417 P CB -0.457 30.998 31.700 -0.409 0.000 0.835 418 T N -2.915 111.378 114.554 -0.435 0.000 2.899 418 T HA 0.153 4.503 4.350 0.000 0.000 0.295 418 T C 1.155 175.415 174.700 -0.733 0.000 1.033 418 T CA -0.684 61.093 62.100 -0.538 0.000 1.084 418 T CB 0.737 69.034 68.868 -0.950 0.000 0.979 418 T HN -0.087 nan 8.240 nan 0.000 0.532 419 L N 2.271 122.955 121.223 -0.899 0.000 2.079 419 L HA -0.014 4.326 4.340 0.000 0.000 0.210 419 L C 2.358 178.888 176.870 -0.567 0.000 1.081 419 L CA 1.582 55.848 54.840 -0.957 0.000 0.752 419 L CB -0.427 40.974 42.059 -1.097 0.000 0.896 419 L HN 0.925 nan 8.230 nan 0.000 0.433 420 W N -1.015 120.073 121.300 -0.353 0.000 2.494 420 W HA 0.138 4.798 4.660 0.000 0.000 0.286 420 W C 2.069 178.453 176.519 -0.225 0.000 1.218 420 W CA 0.511 57.687 57.345 -0.282 0.000 1.313 420 W CB -1.091 28.240 29.460 -0.216 0.000 1.105 420 W HN 0.231 nan 8.180 nan 0.000 0.561 421 A N 1.891 124.354 122.820 -0.594 0.000 1.930 421 A HA -0.102 4.218 4.320 0.000 0.000 0.217 421 A C 2.242 179.705 177.584 -0.200 0.000 1.175 421 A CA 1.522 53.362 52.037 -0.328 0.000 0.627 421 A CB -0.706 17.984 19.000 -0.517 0.000 0.815 421 A HN 0.285 nan 8.150 nan 0.000 0.443 422 R N -1.075 119.200 120.500 -0.374 0.000 2.057 422 R HA 0.061 4.401 4.340 0.000 0.000 0.229 422 R C 2.258 178.319 176.300 -0.398 0.000 1.136 422 R CA 1.679 57.537 56.100 -0.403 0.000 0.952 422 R CB -0.324 29.581 30.300 -0.658 0.000 0.848 422 R HN 0.496 nan 8.270 nan 0.000 0.430 423 M N -0.319 118.926 119.600 -0.592 0.000 2.236 423 M HA -0.015 4.465 4.480 0.000 0.000 0.266 423 M C 1.877 178.112 176.300 -0.108 0.000 1.070 423 M CA 1.498 56.517 55.300 -0.468 0.000 1.137 423 M CB 0.139 32.436 32.600 -0.504 0.000 1.378 423 M HN 0.128 nan 8.290 nan 0.000 0.426 424 I N -0.869 119.515 120.570 -0.311 0.000 3.196 424 I HA -0.081 4.089 4.170 0.000 0.000 0.248 424 I C 2.041 178.030 176.117 -0.212 0.000 1.105 424 I CA 0.291 61.181 61.300 -0.684 0.000 1.482 424 I CB -0.247 37.249 38.000 -0.840 0.000 1.400 424 I HN 0.109 nan 8.210 nan 0.000 0.464 425 L N 0.333 121.596 121.223 0.066 0.000 2.017 425 L HA -0.187 4.153 4.340 0.000 0.000 0.208 425 L C 2.659 179.830 176.870 0.502 0.000 1.073 425 L CA 1.620 56.679 54.840 0.366 0.000 0.745 425 L CB -0.450 41.877 42.059 0.446 0.000 0.894 425 L HN 0.290 nan 8.230 nan 0.000 0.432 426 M N -0.876 118.978 119.600 0.423 0.000 2.099 426 M HA -0.158 4.322 4.480 0.000 0.000 0.262 426 M C 2.358 179.169 176.300 0.853 0.000 1.067 426 M CA 1.926 57.585 55.300 0.599 0.000 1.124 426 M CB -0.599 32.146 32.600 0.240 0.000 1.353 426 M HN 0.258 nan 8.290 nan 0.000 0.410 427 T N -1.163 113.861 114.554 0.783 0.000 2.652 427 T HA -0.250 4.100 4.350 0.000 0.000 0.267 427 T C 1.679 176.685 174.700 0.510 0.000 1.039 427 T CA 2.042 64.584 62.100 0.737 0.000 1.153 427 T CB -0.645 68.688 68.868 0.775 0.000 0.863 427 T HN 0.452 nan 8.240 nan 0.000 0.428 428 H N 0.351 119.600 119.070 0.298 0.000 2.321 428 H HA -0.005 4.551 4.556 0.000 0.000 0.300 428 H C 1.769 176.973 175.328 -0.206 0.000 1.087 428 H CA 1.549 57.629 56.048 0.053 0.000 1.319 428 H CB -0.472 29.184 29.762 -0.176 0.000 1.379 428 H HN 0.359 nan 8.280 nan 0.000 0.501 429 F N -1.306 118.621 119.950 -0.039 0.000 2.293 429 F HA 0.025 4.552 4.527 -0.000 0.000 0.297 429 F C 1.863 177.473 175.800 -0.317 0.000 1.089 429 F CA 0.416 58.149 58.000 -0.446 0.000 1.377 429 F CB -0.423 37.980 39.000 -0.995 0.000 1.051 429 F HN 0.133 nan 8.300 nan 0.000 0.511 430 F N -0.666 119.382 119.950 0.163 0.000 2.234 430 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 430 F C 2.716 178.536 175.800 0.034 0.000 1.087 430 F CA 1.409 59.508 58.000 0.166 0.000 1.340 430 F CB -0.944 38.255 39.000 0.331 0.000 1.031 430 F HN -0.125 nan 8.300 nan 0.000 0.500 431 S N 0.481 116.254 115.700 0.120 0.000 2.359 431 S HA -0.194 4.276 4.470 0.000 0.000 0.224 431 S C 2.129 176.676 174.600 -0.088 0.000 1.035 431 S CA 1.567 59.761 58.200 -0.012 0.000 1.018 431 S CB -0.466 62.708 63.200 -0.043 0.000 0.876 431 S HN 0.300 nan 8.310 nan 0.000 0.448 432 I N 1.314 121.764 120.570 -0.200 0.000 2.142 432 I HA -0.199 3.971 4.170 0.000 0.000 0.240 432 I C 2.211 178.268 176.117 -0.100 0.000 1.078 432 I CA 1.213 62.392 61.300 -0.201 0.000 1.343 432 I CB -0.438 37.365 38.000 -0.327 0.000 1.046 432 I HN 0.295 nan 8.210 nan 0.000 0.405 433 L N 0.106 121.275 121.223 -0.090 0.000 2.079 433 L HA -0.230 4.110 4.340 0.000 0.000 0.210 433 L C 2.559 179.437 176.870 0.013 0.000 1.081 433 L CA 1.207 56.025 54.840 -0.037 0.000 0.752 433 L CB -0.616 41.393 42.059 -0.084 0.000 0.896 433 L HN 0.285 nan 8.230 nan 0.000 0.433 434 L N -0.091 121.153 121.223 0.035 0.000 1.989 434 L HA -0.241 4.099 4.340 0.000 0.000 0.211 434 L C 2.890 179.767 176.870 0.012 0.000 1.071 434 L CA 1.484 56.351 54.840 0.045 0.000 0.749 434 L CB -0.667 41.420 42.059 0.046 0.000 0.890 434 L HN 0.261 nan 8.230 nan 0.000 0.431 435 A N -1.188 121.624 122.820 -0.012 0.000 1.972 435 A HA -0.186 4.134 4.320 0.000 0.000 0.219 435 A C 2.049 179.627 177.584 -0.011 0.000 1.169 435 A CA 1.309 53.334 52.037 -0.020 0.000 0.635 435 A CB -0.224 18.752 19.000 -0.040 0.000 0.810 435 A HN 0.464 nan 8.150 nan 0.000 0.446 436 Q N -0.857 118.939 119.800 -0.007 0.000 2.319 436 Q HA 0.091 4.431 4.340 0.000 0.000 0.202 436 Q C -0.461 175.549 176.000 0.016 0.000 0.896 436 Q CA 0.325 56.130 55.803 0.003 0.000 0.942 436 Q CB 0.110 28.851 28.738 0.004 0.000 1.083 436 Q HN 0.775 nan 8.270 nan 0.000 0.510 437 E N 0.668 120.881 120.200 0.021 0.000 2.360 437 E HA -0.253 4.097 4.350 0.000 0.000 0.238 437 E C -0.227 176.397 176.600 0.041 0.000 1.186 437 E CA 0.298 56.718 56.400 0.033 0.000 0.719 437 E CB -1.058 28.658 29.700 0.028 0.000 1.236 437 E HN 0.431 nan 8.360 nan 0.000 0.386 438 Q N -0.176 119.650 119.800 0.043 0.000 2.189 438 Q HA 0.132 4.472 4.340 0.000 0.000 0.221 438 Q C 1.401 177.440 176.000 0.064 0.000 0.848 438 Q CA -0.497 55.338 55.803 0.053 0.000 1.007 438 Q CB 0.490 29.261 28.738 0.055 0.000 1.116 438 Q HN 0.222 nan 8.270 nan 0.000 0.481 439 L N 0.765 122.032 121.223 0.073 0.000 2.189 439 L HA -0.185 4.155 4.340 0.000 0.000 0.214 439 L C 1.440 178.372 176.870 0.103 0.000 1.097 439 L CA 1.903 56.803 54.840 0.100 0.000 0.764 439 L CB -0.458 41.691 42.059 0.149 0.000 0.900 439 L HN 0.405 nan 8.230 nan 0.000 0.436 440 E N -0.864 119.387 120.200 0.085 0.000 2.481 440 E HA 0.022 4.372 4.350 0.000 0.000 0.198 440 E C 0.672 177.315 176.600 0.071 0.000 1.027 440 E CA -0.141 56.306 56.400 0.079 0.000 0.900 440 E CB 0.661 30.401 29.700 0.067 0.000 0.993 440 E HN 0.238 nan 8.360 nan 0.000 0.482 441 K N 1.912 122.356 120.400 0.073 0.000 2.234 441 K HA 0.390 4.710 4.320 0.000 0.000 0.277 441 K C -0.499 176.146 176.600 0.075 0.000 1.038 441 K CA -0.267 56.062 56.287 0.070 0.000 0.888 441 K CB 1.165 33.707 32.500 0.070 0.000 1.091 441 K HN -0.078 nan 8.250 nan 0.000 0.467 442 A N 5.053 127.914 122.820 0.068 0.000 2.462 442 A HA 0.348 4.668 4.320 0.000 0.000 0.243 442 A C -0.444 177.177 177.584 0.061 0.000 1.076 442 A CA -0.090 51.986 52.037 0.064 0.000 0.773 442 A CB 0.130 19.169 19.000 0.066 0.000 1.010 442 A HN 0.744 nan 8.150 nan 0.000 0.493 443 L N 1.473 122.717 121.223 0.035 0.000 2.388 443 L HA 0.394 4.734 4.340 0.000 0.000 0.264 443 L C -0.956 175.904 176.870 -0.017 0.000 0.998 443 L CA -1.090 53.758 54.840 0.014 0.000 0.817 443 L CB 2.101 44.149 42.059 -0.018 0.000 1.338 443 L HN 0.536 nan 8.230 nan 0.000 0.414 444 D N 1.371 121.775 120.400 0.006 0.000 2.308 444 D HA 0.423 5.063 4.640 0.000 0.000 0.251 444 D C -0.390 175.862 176.300 -0.080 0.000 1.127 444 D CA 0.033 54.042 54.000 0.016 0.000 0.876 444 D CB 1.391 42.246 40.800 0.092 0.000 1.176 444 D HN 0.621 nan 8.370 nan 0.000 0.446 445 C N 1.044 120.284 119.300 -0.099 0.000 3.213 445 C HA 0.710 5.170 4.460 0.000 0.000 0.319 445 C C -0.898 174.036 174.990 -0.094 0.000 1.386 445 C CA -0.797 58.129 59.018 -0.152 0.000 1.494 445 C CB 1.438 29.027 27.740 -0.252 0.000 1.905 445 C HN 0.503 nan 8.230 nan 0.000 0.456 446 Q N 0.489 120.230 119.800 -0.098 0.000 2.340 446 Q HA 0.729 5.069 4.340 0.000 0.000 0.268 446 Q C -1.394 174.563 176.000 -0.071 0.000 1.031 446 Q CA -0.324 55.448 55.803 -0.051 0.000 0.804 446 Q CB 2.276 30.993 28.738 -0.035 0.000 1.286 446 Q HN 0.731 nan 8.270 nan 0.000 0.448 447 I N 3.060 123.603 120.570 -0.045 0.000 2.468 447 I HA 0.183 4.353 4.170 0.000 0.000 0.285 447 I C -1.010 175.129 176.117 0.036 0.000 1.039 447 I CA -0.796 60.406 61.300 -0.164 0.000 1.074 447 I CB 1.140 38.815 38.000 -0.542 0.000 1.228 447 I HN 0.696 nan 8.210 nan 0.000 0.436 448 Y N 5.153 125.511 120.300 0.096 0.000 3.396 448 Y HA -0.270 4.280 4.550 0.000 0.000 0.214 448 Y C 1.490 177.356 175.900 -0.057 0.000 1.203 448 Y CA 1.130 59.259 58.100 0.048 0.000 1.401 448 Y CB -2.021 36.479 38.460 0.067 0.000 1.409 448 Y HN 0.979 nan 8.280 nan 0.000 0.594 449 G N -2.301 106.574 108.800 0.125 0.000 2.253 449 G HA2 -0.036 3.924 3.960 0.000 0.000 0.251 449 G HA3 -0.036 3.924 3.960 0.000 0.000 0.251 449 G C 0.506 175.413 174.900 0.012 0.000 0.998 449 G CA 0.144 45.275 45.100 0.052 0.000 0.621 449 G HN 1.536 nan 8.290 nan 0.000 0.524 450 A N -0.515 122.312 122.820 0.012 0.000 2.302 450 A HA 0.645 4.965 4.320 0.000 0.000 0.285 450 A C 0.514 177.887 177.584 -0.351 0.000 1.105 450 A CA 0.470 52.349 52.037 -0.263 0.000 0.816 450 A CB 0.817 19.572 19.000 -0.408 0.000 1.067 450 A HN 1.034 nan 8.150 nan 0.000 0.489 451 C N 0.986 119.962 119.300 -0.540 0.000 2.341 451 C HA 0.703 5.163 4.460 0.000 0.000 0.338 451 C C -0.726 173.771 174.990 -0.822 0.000 1.257 451 C CA -0.272 58.509 59.018 -0.396 0.000 1.883 451 C CB -0.773 26.922 27.740 -0.076 0.000 2.334 451 C HN 0.715 nan 8.230 nan 0.000 0.524 452 Y N 0.641 120.702 120.300 -0.398 0.000 2.524 452 Y HA 0.493 5.043 4.550 -0.000 0.000 0.344 452 Y C 0.413 176.145 175.900 -0.280 0.000 1.012 452 Y CA -0.481 57.336 58.100 -0.472 0.000 1.068 452 Y CB 1.537 39.658 38.460 -0.566 0.000 1.249 452 Y HN 0.534 nan 8.280 nan 0.000 0.468 453 S N 3.610 119.256 115.700 -0.091 0.000 2.422 453 S HA 0.658 5.128 4.470 0.000 0.000 0.308 453 S C -1.076 173.555 174.600 0.052 0.000 1.097 453 S CA -0.496 57.723 58.200 0.031 0.000 1.099 453 S CB -0.296 62.961 63.200 0.096 0.000 0.976 453 S HN 0.430 nan 8.310 nan 0.000 0.471 454 I N 4.165 124.756 120.570 0.034 0.000 2.498 454 I HA 0.375 4.545 4.170 0.000 0.000 0.290 454 I C 0.015 176.161 176.117 0.048 0.000 1.032 454 I CA -0.622 60.708 61.300 0.050 0.000 1.073 454 I CB 1.887 39.894 38.000 0.011 0.000 1.251 454 I HN 0.644 nan 8.210 nan 0.000 0.426 455 E N 7.166 127.411 120.200 0.075 0.000 2.152 455 E HA 0.212 4.562 4.350 0.000 0.000 0.285 455 E C -1.676 174.989 176.600 0.108 0.000 1.043 455 E CA -1.485 54.965 56.400 0.084 0.000 0.839 455 E CB 1.383 31.133 29.700 0.084 0.000 1.069 455 E HN 0.305 nan 8.360 nan 0.000 0.399 456 P HA -0.187 nan 4.420 nan 0.000 0.218 456 P C 1.127 178.591 177.300 0.273 0.000 1.146 456 P CA 1.013 64.212 63.100 0.164 0.000 0.813 456 P CB 0.233 31.984 31.700 0.086 0.000 0.778 457 L N -0.684 120.671 121.223 0.221 0.000 2.261 457 L HA -0.162 4.178 4.340 0.000 0.000 0.216 457 L C 1.340 178.317 176.870 0.178 0.000 1.114 457 L CA 1.329 56.306 54.840 0.229 0.000 0.777 457 L CB -0.642 41.514 42.059 0.163 0.000 0.910 457 L HN 0.013 nan 8.230 nan 0.000 0.440 458 D N -0.486 120.004 120.400 0.149 0.000 2.340 458 D HA 0.005 4.645 4.640 0.000 0.000 0.220 458 D C 2.223 178.597 176.300 0.122 0.000 1.039 458 D CA 0.233 54.295 54.000 0.104 0.000 0.866 458 D CB 0.339 41.188 40.800 0.080 0.000 0.913 458 D HN 0.300 nan 8.370 nan 0.000 0.523 459 L N 1.055 122.395 121.223 0.196 0.000 2.043 459 L HA -0.174 4.166 4.340 0.000 0.000 0.212 459 L C -0.473 176.515 176.870 0.197 0.000 1.075 459 L CA 1.621 56.596 54.840 0.225 0.000 0.752 459 L CB -1.410 40.857 42.059 0.348 0.000 0.891 459 L HN 0.061 nan 8.230 nan 0.000 0.432 460 P HA -0.179 nan 4.420 nan 0.000 0.215 460 P C 1.321 178.688 177.300 0.112 0.000 1.153 460 P CA 1.211 64.369 63.100 0.096 0.000 0.853 460 P CB 0.046 31.622 31.700 -0.206 0.000 0.788 461 Q N -0.821 118.983 119.800 0.006 0.000 2.119 461 Q HA -0.075 4.265 4.340 0.000 0.000 0.201 461 Q C 2.178 178.169 176.000 -0.015 0.000 0.972 461 Q CA 1.176 56.965 55.803 -0.024 0.000 0.847 461 Q CB -0.963 27.743 28.738 -0.053 0.000 0.903 461 Q HN 0.254 nan 8.270 nan 0.000 0.433 462 I N 0.024 120.596 120.570 0.003 0.000 2.142 462 I HA -0.292 3.878 4.170 0.000 0.000 0.240 462 I C 1.963 178.090 176.117 0.016 0.000 1.078 462 I CA 1.257 62.531 61.300 -0.043 0.000 1.343 462 I CB -0.290 37.730 38.000 0.033 0.000 1.046 462 I HN 0.171 nan 8.210 nan 0.000 0.405 463 I N 0.506 121.156 120.570 0.133 0.000 2.208 463 I HA -0.323 3.847 4.170 0.000 0.000 0.245 463 I C 2.636 178.775 176.117 0.036 0.000 1.097 463 I CA 1.579 62.970 61.300 0.151 0.000 1.363 463 I CB -0.453 37.638 38.000 0.152 0.000 1.051 463 I HN 0.303 nan 8.210 nan 0.000 0.413 464 E N 1.082 121.342 120.200 0.101 0.000 2.049 464 E HA -0.271 4.079 4.350 0.000 0.000 0.198 464 E C 2.421 179.011 176.600 -0.017 0.000 1.007 464 E CA 1.284 57.723 56.400 0.065 0.000 0.809 464 E CB 0.037 29.818 29.700 0.136 0.000 0.749 464 E HN 0.265 nan 8.360 nan 0.000 0.450 465 R N 0.111 120.580 120.500 -0.051 0.000 2.096 465 R HA -0.101 4.240 4.340 0.000 0.000 0.235 465 R C 2.472 178.695 176.300 -0.128 0.000 1.127 465 R CA 0.979 57.018 56.100 -0.101 0.000 0.968 465 R CB -0.454 29.748 30.300 -0.162 0.000 0.861 465 R HN 0.384 nan 8.270 nan 0.000 0.440 466 L N -1.014 120.109 121.223 -0.168 0.000 2.168 466 L HA -0.047 4.293 4.340 0.000 0.000 0.203 466 L C 1.867 178.478 176.870 -0.432 0.000 1.078 466 L CA 0.985 55.646 54.840 -0.299 0.000 0.780 466 L CB -0.306 41.514 42.059 -0.399 0.000 0.939 466 L HN 0.252 nan 8.230 nan 0.000 0.451 467 H N -0.832 118.174 119.070 -0.107 0.000 2.874 467 H HA 0.288 4.844 4.556 0.000 0.000 0.264 467 H C 0.987 176.232 175.328 -0.139 0.000 1.007 467 H CA 0.774 56.741 56.048 -0.135 0.000 1.207 467 H CB 0.999 30.647 29.762 -0.190 0.000 1.487 467 H HN 0.298 nan 8.280 nan 0.000 0.505 468 G N 0.989 109.771 108.800 -0.031 0.000 2.795 468 G HA2 -0.246 3.714 3.960 0.000 0.000 0.664 468 G HA3 -0.246 3.714 3.960 0.000 0.000 0.664 468 G C 0.680 175.538 174.900 -0.070 0.000 1.381 468 G CA -0.124 44.958 45.100 -0.030 0.000 0.853 468 G HN 0.236 nan 8.290 nan 0.000 0.545 469 L N 0.992 122.232 121.223 0.028 0.000 2.362 469 L HA -0.020 4.320 4.340 0.000 0.000 0.219 469 L C 3.145 180.046 176.870 0.052 0.000 1.134 469 L CA 1.909 56.833 54.840 0.141 0.000 0.807 469 L CB -0.397 41.803 42.059 0.236 0.000 0.927 469 L HN 0.880 nan 8.230 nan 0.000 0.447 470 S N 0.149 115.832 115.700 -0.028 0.000 2.423 470 S HA -0.142 4.328 4.470 0.000 0.000 0.231 470 S C 2.188 176.707 174.600 -0.134 0.000 1.014 470 S CA 0.733 58.906 58.200 -0.045 0.000 0.965 470 S CB -0.222 62.947 63.200 -0.053 0.000 0.785 470 S HN 0.343 nan 8.310 nan 0.000 0.495 471 A N 1.018 123.670 122.820 -0.281 0.000 1.986 471 A HA 0.034 4.354 4.320 0.000 0.000 0.220 471 A C 1.606 178.979 177.584 -0.351 0.000 1.171 471 A CA 1.423 53.208 52.037 -0.420 0.000 0.640 471 A CB -1.018 17.621 19.000 -0.602 0.000 0.811 471 A HN 0.637 nan 8.150 nan 0.000 0.451 472 F N -0.275 119.694 119.950 0.032 0.000 2.811 472 F HA 0.153 4.680 4.527 0.000 0.000 0.301 472 F C 1.626 177.473 175.800 0.079 0.000 1.151 472 F CA 0.733 58.778 58.000 0.074 0.000 1.412 472 F CB 0.032 39.112 39.000 0.133 0.000 1.113 472 F HN 0.107 nan 8.300 nan 0.000 0.579 473 S N -0.983 114.812 115.700 0.158 0.000 2.787 473 S HA 0.286 4.756 4.470 0.000 0.000 0.255 473 S C 0.406 175.063 174.600 0.094 0.000 1.051 473 S CA -0.359 57.927 58.200 0.143 0.000 1.124 473 S CB 0.330 63.605 63.200 0.125 0.000 1.104 473 S HN 0.005 nan 8.310 nan 0.000 0.623 474 L N 3.583 124.786 121.223 -0.034 0.000 2.485 474 L HA 0.289 4.629 4.340 0.000 0.000 0.275 474 L C 0.477 177.266 176.870 -0.135 0.000 1.207 474 L CA 0.381 55.088 54.840 -0.222 0.000 0.855 474 L CB 0.023 41.807 42.059 -0.459 0.000 1.114 474 L HN 0.522 nan 8.230 nan 0.000 0.485 475 H N -1.652 117.247 119.070 -0.286 0.000 2.960 475 H HA 0.400 4.956 4.556 0.000 0.000 0.323 475 H C -0.247 174.944 175.328 -0.229 0.000 1.326 475 H CA -0.830 55.119 56.048 -0.164 0.000 1.124 475 H CB 1.115 30.864 29.762 -0.023 0.000 1.853 475 H HN 0.407 nan 8.280 nan 0.000 0.536 476 S N -0.922 114.831 115.700 0.089 0.000 3.711 476 S HA -0.241 4.229 4.470 0.000 0.000 0.374 476 S C -0.432 174.179 174.600 0.019 0.000 0.969 476 S CA 0.512 58.737 58.200 0.043 0.000 1.198 476 S CB -2.715 60.414 63.200 -0.119 0.000 0.903 476 S HN 0.555 nan 8.310 nan 0.000 0.493 477 Y N 2.188 122.523 120.300 0.059 0.000 2.546 477 Y HA 0.190 4.740 4.550 0.000 0.000 0.351 477 Y C 1.502 177.461 175.900 0.098 0.000 1.266 477 Y CA 0.756 58.903 58.100 0.078 0.000 1.487 477 Y CB 0.323 38.817 38.460 0.056 0.000 1.365 477 Y HN 0.548 nan 8.280 nan 0.000 0.642 478 S N 1.362 117.220 115.700 0.263 0.000 2.603 478 S HA 0.195 4.665 4.470 0.000 0.000 0.268 478 S C -2.012 172.678 174.600 0.150 0.000 1.317 478 S CA -1.164 57.137 58.200 0.167 0.000 1.012 478 S CB 1.361 64.639 63.200 0.131 0.000 0.926 478 S HN 0.425 nan 8.310 nan 0.000 0.539 479 P HA 0.061 nan 4.420 nan 0.000 0.218 479 P C 1.720 179.065 177.300 0.075 0.000 1.149 479 P CA 1.425 64.576 63.100 0.086 0.000 0.817 479 P CB -0.486 31.255 31.700 0.068 0.000 0.785 480 G N 0.271 109.114 108.800 0.071 0.000 2.446 480 G HA2 -0.300 3.660 3.960 0.000 0.000 0.217 480 G HA3 -0.300 3.660 3.960 0.000 0.000 0.217 480 G C 1.694 176.633 174.900 0.066 0.000 1.168 480 G CA 1.032 46.167 45.100 0.057 0.000 0.771 480 G HN 0.263 nan 8.290 nan 0.000 0.551 481 E N 0.634 120.893 120.200 0.099 0.000 2.047 481 E HA -0.043 4.307 4.350 0.000 0.000 0.191 481 E C 2.481 179.139 176.600 0.096 0.000 0.987 481 E CA 0.802 57.274 56.400 0.121 0.000 0.799 481 E CB -0.403 29.423 29.700 0.210 0.000 0.752 481 E HN 0.500 nan 8.360 nan 0.000 0.449 482 I N 0.892 121.522 120.570 0.100 0.000 2.127 482 I HA -0.317 3.853 4.170 0.000 0.000 0.241 482 I C 2.031 178.179 176.117 0.052 0.000 1.075 482 I CA 1.336 62.678 61.300 0.070 0.000 1.334 482 I CB -0.513 37.538 38.000 0.086 0.000 1.040 482 I HN 0.144 nan 8.210 nan 0.000 0.405 483 N N 0.561 119.292 118.700 0.052 0.000 2.149 483 N HA -0.216 4.524 4.740 0.000 0.000 0.188 483 N C 1.889 177.414 175.510 0.025 0.000 1.019 483 N CA 1.223 54.296 53.050 0.039 0.000 0.857 483 N CB -0.382 38.127 38.487 0.037 0.000 0.997 483 N HN 0.320 nan 8.380 nan 0.000 0.426 484 R N 0.400 120.913 120.500 0.022 0.000 2.073 484 R HA 0.004 4.344 4.340 0.000 0.000 0.229 484 R C 1.774 178.059 176.300 -0.026 0.000 1.120 484 R CA 0.799 56.897 56.100 -0.003 0.000 0.967 484 R CB -0.112 30.182 30.300 -0.009 0.000 0.862 484 R HN -0.021 nan 8.270 nan 0.000 0.436 485 V N 1.169 121.077 119.914 -0.010 0.000 2.261 485 V HA -0.229 3.891 4.120 0.000 0.000 0.246 485 V C 2.503 178.590 176.094 -0.011 0.000 1.047 485 V CA 2.014 64.298 62.300 -0.027 0.000 1.015 485 V CB -0.836 31.000 31.823 0.020 0.000 0.642 485 V HN 0.548 nan 8.190 nan 0.000 0.446 486 A N -0.047 122.782 122.820 0.016 0.000 1.940 486 A HA -0.229 4.091 4.320 0.000 0.000 0.219 486 A C 2.453 180.053 177.584 0.026 0.000 1.176 486 A CA 2.374 54.430 52.037 0.031 0.000 0.631 486 A CB -0.755 18.270 19.000 0.042 0.000 0.814 486 A HN 0.550 nan 8.150 nan 0.000 0.446 487 S N -1.114 114.596 115.700 0.016 0.000 2.382 487 S HA -0.217 4.253 4.470 0.000 0.000 0.228 487 S C 2.029 176.635 174.600 0.011 0.000 1.027 487 S CA 1.239 59.449 58.200 0.016 0.000 0.991 487 S CB -0.995 62.211 63.200 0.010 0.000 0.823 487 S HN 0.811 nan 8.310 nan 0.000 0.469 488 C N 2.117 121.409 119.300 -0.014 0.000 2.446 488 C HA 0.093 4.553 4.460 0.000 0.000 0.277 488 C C 2.433 177.419 174.990 -0.007 0.000 1.275 488 C CA 0.306 59.306 59.018 -0.030 0.000 1.727 488 C CB -1.596 26.087 27.740 -0.094 0.000 2.010 488 C HN 0.571 nan 8.230 nan 0.000 0.486 489 L N 0.520 121.744 121.223 0.002 0.000 2.046 489 L HA -0.118 4.222 4.340 0.000 0.000 0.208 489 L C 3.043 179.932 176.870 0.031 0.000 1.077 489 L CA 1.683 56.539 54.840 0.026 0.000 0.747 489 L CB -0.915 41.182 42.059 0.063 0.000 0.896 489 L HN 0.369 nan 8.230 nan 0.000 0.432 490 R N 0.507 121.034 120.500 0.045 0.000 2.091 490 R HA -0.213 4.127 4.340 0.000 0.000 0.238 490 R C 2.352 178.725 176.300 0.121 0.000 1.136 490 R CA 1.644 57.786 56.100 0.070 0.000 0.959 490 R CB -0.341 29.998 30.300 0.065 0.000 0.856 490 R HN 0.339 nan 8.270 nan 0.000 0.437 491 K N 1.133 121.593 120.400 0.100 0.000 2.026 491 K HA -0.120 4.200 4.320 0.000 0.000 0.208 491 K C 1.890 178.632 176.600 0.237 0.000 1.048 491 K CA 1.281 57.649 56.287 0.135 0.000 0.929 491 K CB -0.006 32.539 32.500 0.075 0.000 0.713 491 K HN 0.133 nan 8.250 nan 0.000 0.439 492 L N -0.381 120.920 121.223 0.129 0.000 2.446 492 L HA 0.153 4.493 4.340 0.000 0.000 0.219 492 L C 0.930 177.696 176.870 -0.173 0.000 1.116 492 L CA 0.462 55.356 54.840 0.090 0.000 0.844 492 L CB 0.215 42.299 42.059 0.042 0.000 0.970 492 L HN 0.630 nan 8.230 nan 0.000 0.457 493 G N 0.789 109.366 108.800 -0.372 0.000 2.182 493 G HA2 -0.225 3.735 3.960 0.000 0.000 0.248 493 G HA3 -0.225 3.735 3.960 0.000 0.000 0.248 493 G C 0.055 174.802 174.900 -0.255 0.000 1.042 493 G CA 0.051 44.736 45.100 -0.691 0.000 0.775 493 G HN 0.086 nan 8.290 nan 0.000 0.501 494 V N 0.655 120.528 119.914 -0.067 0.000 2.614 494 V HA 0.369 4.490 4.120 0.000 0.000 0.291 494 V C -1.056 175.127 176.094 0.148 0.000 1.049 494 V CA -1.371 60.985 62.300 0.094 0.000 1.038 494 V CB 1.185 33.092 31.823 0.140 0.000 0.980 494 V HN 0.193 nan 8.190 nan 0.000 0.481 495 P HA 0.122 nan 4.420 nan 0.000 0.267 495 P C -2.452 174.975 177.300 0.210 0.000 1.200 495 P CA -0.723 62.410 63.100 0.055 0.000 0.772 495 P CB -0.214 31.330 31.700 -0.259 0.000 0.855 496 P HA 0.040 nan 4.420 nan 0.000 0.270 496 P C 0.906 178.378 177.300 0.287 0.000 1.223 496 P CA 0.057 63.259 63.100 0.169 0.000 0.785 496 P CB 0.631 32.384 31.700 0.089 0.000 0.923 497 L N 0.818 122.219 121.223 0.295 0.000 2.127 497 L HA -0.219 4.121 4.340 0.000 0.000 0.211 497 L C 2.801 179.860 176.870 0.315 0.000 1.089 497 L CA 1.729 56.779 54.840 0.351 0.000 0.757 497 L CB -0.831 41.345 42.059 0.194 0.000 0.899 497 L HN 0.476 nan 8.230 nan 0.000 0.434 498 R N -0.332 120.288 120.500 0.200 0.000 2.120 498 R HA -0.103 4.237 4.340 0.000 0.000 0.234 498 R C 1.957 178.347 176.300 0.150 0.000 1.123 498 R CA 1.407 57.603 56.100 0.161 0.000 0.975 498 R CB -0.984 29.370 30.300 0.089 0.000 0.866 498 R HN 0.167 nan 8.270 nan 0.000 0.446 499 V N 0.522 120.482 119.914 0.076 0.000 2.358 499 V HA -0.169 3.951 4.120 0.000 0.000 0.246 499 V C 1.978 178.050 176.094 -0.038 0.000 1.047 499 V CA 1.719 63.993 62.300 -0.043 0.000 1.035 499 V CB -0.684 30.991 31.823 -0.248 0.000 0.658 499 V HN 0.366 nan 8.190 nan 0.000 0.452 500 W N 0.234 121.645 121.300 0.184 0.000 2.358 500 W HA -0.128 4.532 4.660 -0.000 0.000 0.303 500 W C 2.742 179.475 176.519 0.358 0.000 1.208 500 W CA 1.555 59.044 57.345 0.240 0.000 1.274 500 W CB -0.344 29.248 29.460 0.219 0.000 1.138 500 W HN 0.046 nan 8.180 nan 0.000 0.515 501 R N -0.162 120.692 120.500 0.590 0.000 2.083 501 R HA -0.264 4.076 4.340 0.000 0.000 0.237 501 R C 2.181 178.636 176.300 0.257 0.000 1.137 501 R CA 2.203 58.609 56.100 0.509 0.000 0.951 501 R CB -0.775 29.787 30.300 0.437 0.000 0.851 501 R HN 0.236 nan 8.270 nan 0.000 0.434 502 H N 0.457 119.593 119.070 0.110 0.000 2.319 502 H HA -0.060 4.496 4.556 0.000 0.000 0.299 502 H C 1.949 177.271 175.328 -0.009 0.000 1.092 502 H CA 2.190 58.248 56.048 0.017 0.000 1.302 502 H CB -0.004 29.750 29.762 -0.014 0.000 1.373 502 H HN 0.155 nan 8.280 nan 0.000 0.497 503 R N -0.341 120.100 120.500 -0.098 0.000 2.092 503 R HA -0.010 4.330 4.340 0.000 0.000 0.231 503 R C 2.494 178.730 176.300 -0.108 0.000 1.119 503 R CA 0.964 56.965 56.100 -0.165 0.000 0.970 503 R CB -0.241 30.022 30.300 -0.061 0.000 0.864 503 R HN 0.404 nan 8.270 nan 0.000 0.440 504 A N 1.071 123.895 122.820 0.006 0.000 2.015 504 A HA -0.128 4.192 4.320 0.000 0.000 0.219 504 A C 2.000 179.352 177.584 -0.387 0.000 1.163 504 A CA 0.930 52.863 52.037 -0.174 0.000 0.646 504 A CB -0.215 18.808 19.000 0.038 0.000 0.806 504 A HN 0.201 nan 8.150 nan 0.000 0.448 505 R N -0.514 119.826 120.500 -0.266 0.000 2.081 505 R HA -0.093 4.247 4.340 0.000 0.000 0.235 505 R C 2.627 178.787 176.300 -0.234 0.000 1.131 505 R CA 1.489 57.446 56.100 -0.239 0.000 0.960 505 R CB -0.411 29.805 30.300 -0.139 0.000 0.856 505 R HN 0.548 nan 8.270 nan 0.000 0.436 506 S N 0.314 115.872 115.700 -0.238 0.000 2.345 506 S HA -0.107 4.363 4.470 0.000 0.000 0.220 506 S C 2.069 176.532 174.600 -0.229 0.000 1.031 506 S CA 1.364 59.437 58.200 -0.212 0.000 0.996 506 S CB -0.209 62.858 63.200 -0.221 0.000 0.882 506 S HN 0.112 nan 8.310 nan 0.000 0.445 507 V N 2.700 122.436 119.914 -0.297 0.000 2.282 507 V HA -0.196 3.924 4.120 0.000 0.000 0.249 507 V C 2.765 178.591 176.094 -0.446 0.000 1.057 507 V CA 2.381 64.463 62.300 -0.363 0.000 1.032 507 V CB -0.964 30.570 31.823 -0.482 0.000 0.645 507 V HN 0.523 nan 8.190 nan 0.000 0.447 508 R N 0.265 120.412 120.500 -0.589 0.000 2.094 508 R HA -0.223 4.117 4.340 0.000 0.000 0.239 508 R C 2.334 178.518 176.300 -0.193 0.000 1.137 508 R CA 1.954 57.829 56.100 -0.376 0.000 0.943 508 R CB -0.548 29.569 30.300 -0.305 0.000 0.850 508 R HN 0.488 nan 8.270 nan 0.000 0.433 509 A N 1.040 123.753 122.820 -0.177 0.000 1.883 509 A HA -0.191 4.129 4.320 0.000 0.000 0.217 509 A C 2.208 179.739 177.584 -0.088 0.000 1.186 509 A CA 1.703 53.672 52.037 -0.114 0.000 0.624 509 A CB -0.484 18.452 19.000 -0.107 0.000 0.822 509 A HN 0.410 nan 8.150 nan 0.000 0.444 510 R N -0.585 119.857 120.500 -0.098 0.000 2.096 510 R HA -0.022 4.318 4.340 0.000 0.000 0.235 510 R C 2.044 178.327 176.300 -0.030 0.000 1.127 510 R CA 1.407 57.472 56.100 -0.059 0.000 0.968 510 R CB -0.482 29.783 30.300 -0.058 0.000 0.861 510 R HN 0.513 nan 8.270 nan 0.000 0.440 511 L N 0.284 121.485 121.223 -0.037 0.000 2.027 511 L HA -0.158 4.182 4.340 0.000 0.000 0.206 511 L C 2.348 179.223 176.870 0.009 0.000 1.074 511 L CA 1.114 55.962 54.840 0.013 0.000 0.745 511 L CB -0.422 41.652 42.059 0.025 0.000 0.898 511 L HN 0.175 nan 8.230 nan 0.000 0.433 512 L N -0.160 121.053 121.223 -0.017 0.000 2.013 512 L HA -0.254 4.086 4.340 0.000 0.000 0.212 512 L C 2.847 179.711 176.870 -0.010 0.000 1.073 512 L CA 1.809 56.640 54.840 -0.015 0.000 0.753 512 L CB -0.609 41.429 42.059 -0.035 0.000 0.890 512 L HN 0.425 nan 8.230 nan 0.000 0.432 513 S N -1.143 114.547 115.700 -0.018 0.000 2.493 513 S HA -0.225 4.245 4.470 0.000 0.000 0.243 513 S C 1.674 176.273 174.600 -0.001 0.000 0.991 513 S CA 0.989 59.181 58.200 -0.013 0.000 0.957 513 S CB -0.306 62.883 63.200 -0.019 0.000 0.756 513 S HN 0.539 nan 8.310 nan 0.000 0.521 514 Q N 0.782 120.587 119.800 0.009 0.000 2.408 514 Q HA 0.319 4.659 4.340 0.000 0.000 0.205 514 Q C 1.396 177.411 176.000 0.024 0.000 0.919 514 Q CA 0.175 55.990 55.803 0.020 0.000 0.932 514 Q CB 0.023 28.782 28.738 0.034 0.000 1.058 514 Q HN 0.725 nan 8.270 nan 0.000 0.517 515 G N 0.507 109.320 108.800 0.021 0.000 2.645 515 G HA2 -0.223 3.737 3.960 0.000 0.000 0.246 515 G HA3 -0.223 3.737 3.960 0.000 0.000 0.246 515 G C 0.490 175.410 174.900 0.033 0.000 1.322 515 G CA -0.228 44.886 45.100 0.023 0.000 0.898 515 G HN 0.702 nan 8.290 nan 0.000 0.573 516 G N -0.986 107.832 108.800 0.031 0.000 2.594 516 G HA2 -0.267 3.693 3.960 0.000 0.000 0.297 516 G HA3 -0.267 3.693 3.960 0.000 0.000 0.297 516 G C 1.108 176.034 174.900 0.044 0.000 1.273 516 G CA 1.585 46.706 45.100 0.035 0.000 0.974 516 G HN 1.468 nan 8.290 nan 0.000 0.552 517 R N 0.152 120.682 120.500 0.050 0.000 2.096 517 R HA 0.130 4.470 4.340 0.000 0.000 0.235 517 R C 3.249 179.600 176.300 0.085 0.000 1.127 517 R CA 1.950 58.086 56.100 0.060 0.000 0.968 517 R CB -0.564 29.777 30.300 0.067 0.000 0.861 517 R HN 0.671 nan 8.270 nan 0.000 0.440 518 A N 1.063 123.940 122.820 0.096 0.000 1.902 518 A HA -0.141 4.179 4.320 0.000 0.000 0.217 518 A C 2.346 179.981 177.584 0.086 0.000 1.181 518 A CA 1.731 53.840 52.037 0.120 0.000 0.623 518 A CB -0.721 18.347 19.000 0.114 0.000 0.818 518 A HN 0.402 nan 8.150 nan 0.000 0.443 519 A N -0.931 121.926 122.820 0.061 0.000 1.933 519 A HA -0.093 4.227 4.320 0.000 0.000 0.218 519 A C 2.286 179.905 177.584 0.059 0.000 1.175 519 A CA 2.315 54.379 52.037 0.044 0.000 0.628 519 A CB -1.336 17.683 19.000 0.032 0.000 0.814 519 A HN 0.447 nan 8.150 nan 0.000 0.444 520 T N -0.529 114.069 114.554 0.073 0.000 2.665 520 T HA -0.237 4.113 4.350 0.000 0.000 0.268 520 T C 1.911 176.671 174.700 0.100 0.000 1.035 520 T CA 1.698 63.861 62.100 0.104 0.000 1.151 520 T CB -0.804 68.080 68.868 0.026 0.000 0.862 520 T HN 0.592 nan 8.240 nan 0.000 0.438 521 C N 1.306 120.636 119.300 0.050 0.000 2.413 521 C HA 0.019 4.479 4.460 0.000 0.000 0.276 521 C C 3.132 178.130 174.990 0.014 0.000 1.236 521 C CA 0.501 59.510 59.018 -0.016 0.000 1.735 521 C CB -1.600 26.129 27.740 -0.018 0.000 2.031 521 C HN 0.750 nan 8.230 nan 0.000 0.474 522 G N 0.026 108.867 108.800 0.068 0.000 2.418 522 G HA2 -0.264 3.696 3.960 0.000 0.000 0.217 522 G HA3 -0.264 3.696 3.960 0.000 0.000 0.217 522 G C 1.629 176.567 174.900 0.062 0.000 1.158 522 G CA 1.130 46.295 45.100 0.109 0.000 0.771 522 G HN 0.633 nan 8.290 nan 0.000 0.545 523 K N -0.837 119.567 120.400 0.006 0.000 1.991 523 K HA -0.124 4.196 4.320 0.000 0.000 0.212 523 K C 2.253 178.696 176.600 -0.261 0.000 1.049 523 K CA 1.496 57.715 56.287 -0.113 0.000 0.932 523 K CB -0.276 32.170 32.500 -0.090 0.000 0.717 523 K HN 0.408 nan 8.250 nan 0.000 0.441 524 Y N 0.504 120.628 120.300 -0.293 0.000 2.231 524 Y HA 0.012 4.562 4.550 -0.000 0.000 0.294 524 Y C 2.010 177.638 175.900 -0.454 0.000 1.120 524 Y CA 0.758 58.501 58.100 -0.594 0.000 1.141 524 Y CB -0.111 37.666 38.460 -1.137 0.000 1.022 524 Y HN -0.039 nan 8.280 nan 0.000 0.523 525 L N -1.709 119.388 121.223 -0.209 0.000 2.201 525 L HA -0.137 4.203 4.340 0.000 0.000 0.212 525 L C 0.575 177.225 176.870 -0.367 0.000 1.105 525 L CA 1.273 55.957 54.840 -0.259 0.000 0.775 525 L CB -0.328 41.391 42.059 -0.568 0.000 0.913 525 L HN 0.174 nan 8.230 nan 0.000 0.440 526 F N -1.533 118.406 119.950 -0.017 0.000 2.805 526 F HA 0.184 4.711 4.527 0.000 0.000 0.317 526 F C 1.471 177.020 175.800 -0.418 0.000 1.146 526 F CA -0.391 57.436 58.000 -0.287 0.000 1.265 526 F CB -0.438 38.384 39.000 -0.296 0.000 0.992 526 F HN -0.093 nan 8.300 nan 0.000 0.511 527 N N 0.689 119.339 118.700 -0.083 0.000 2.396 527 N HA -0.143 4.597 4.740 0.000 0.000 0.180 527 N C 1.991 177.491 175.510 -0.017 0.000 1.028 527 N CA 1.166 54.170 53.050 -0.076 0.000 0.893 527 N CB -0.119 38.332 38.487 -0.060 0.000 0.967 527 N HN 0.485 nan 8.380 nan 0.000 0.440 528 W N -0.396 120.954 121.300 0.083 0.000 2.421 528 W HA 0.113 4.773 4.660 0.000 0.000 0.270 528 W C 1.214 177.799 176.519 0.109 0.000 1.233 528 W CA 0.742 58.146 57.345 0.098 0.000 1.226 528 W CB -0.851 28.677 29.460 0.113 0.000 1.121 528 W HN 0.041 nan 8.180 nan 0.000 0.579 529 A N 1.511 123.939 122.820 -0.652 0.000 2.072 529 A HA 0.170 4.490 4.320 0.000 0.000 0.216 529 A C 1.159 178.600 177.584 -0.239 0.000 1.156 529 A CA 1.070 52.695 52.037 -0.687 0.000 0.701 529 A CB -0.848 17.516 19.000 -1.060 0.000 0.816 529 A HN 0.120 nan 8.150 nan 0.000 0.458 530 V N -4.071 115.739 119.914 -0.172 0.000 2.617 530 V HA 0.770 4.890 4.120 0.000 0.000 0.298 530 V C 1.197 177.268 176.094 -0.038 0.000 1.048 530 V CA -0.144 62.100 62.300 -0.093 0.000 0.964 530 V CB 0.840 32.604 31.823 -0.099 0.000 1.004 530 V HN 0.357 nan 8.190 nan 0.000 0.466 531 K N 2.058 122.442 120.400 -0.026 0.000 2.025 531 K HA 0.149 4.469 4.320 0.000 0.000 0.207 531 K C 1.483 178.068 176.600 -0.025 0.000 1.049 531 K CA 1.743 58.021 56.287 -0.016 0.000 0.933 531 K CB -1.396 31.096 32.500 -0.012 0.000 0.714 531 K HN 1.466 nan 8.250 nan 0.000 0.438 532 T N 2.487 117.020 114.554 -0.034 0.000 3.688 532 T HA 0.475 4.825 4.350 0.000 0.000 0.307 532 T C 0.200 174.873 174.700 -0.046 0.000 1.382 532 T CA -0.506 61.572 62.100 -0.037 0.000 1.136 532 T CB -0.606 68.241 68.868 -0.036 0.000 1.207 532 T HN 0.287 nan 8.240 nan 0.000 0.854 533 K N 1.413 121.788 120.400 -0.042 0.000 2.494 533 K HA 0.402 4.722 4.320 0.000 0.000 0.273 533 K C 0.196 176.759 176.600 -0.063 0.000 0.970 533 K CA 0.128 56.385 56.287 -0.049 0.000 0.963 533 K CB 0.462 32.942 32.500 -0.033 0.000 0.913 533 K HN 0.561 nan 8.250 nan 0.000 0.502 534 L N 1.765 122.935 121.223 -0.089 0.000 2.375 534 L HA 0.343 4.683 4.340 0.000 0.000 0.268 534 L C 0.340 177.142 176.870 -0.113 0.000 1.058 534 L CA -0.850 53.925 54.840 -0.108 0.000 0.803 534 L CB 1.269 43.238 42.059 -0.150 0.000 1.212 534 L HN 0.512 nan 8.230 nan 0.000 0.451 535 K N 2.427 122.767 120.400 -0.100 0.000 2.312 535 K HA 0.381 4.701 4.320 0.000 0.000 0.287 535 K C -1.171 175.355 176.600 -0.124 0.000 1.062 535 K CA -0.390 55.850 56.287 -0.078 0.000 0.934 535 K CB 0.438 32.914 32.500 -0.040 0.000 1.027 535 K HN 0.471 nan 8.250 nan 0.000 0.478 536 L N 5.314 126.472 121.223 -0.109 0.000 2.264 536 L HA 0.258 4.598 4.340 0.000 0.000 0.287 536 L C 0.391 177.317 176.870 0.094 0.000 1.039 536 L CA -0.660 54.101 54.840 -0.132 0.000 0.829 536 L CB 1.161 43.148 42.059 -0.121 0.000 1.211 536 L HN 0.765 nan 8.230 nan 0.000 0.427 537 T N 0.571 115.226 114.554 0.167 0.000 2.950 537 T HA 0.604 4.954 4.350 0.000 0.000 0.288 537 T C -2.638 172.198 174.700 0.226 0.000 1.035 537 T CA -2.453 59.746 62.100 0.165 0.000 1.028 537 T CB 1.771 70.700 68.868 0.102 0.000 1.109 537 T HN 0.132 nan 8.240 nan 0.000 0.514 538 P HA 0.142 nan 4.420 nan 0.000 0.263 538 P C -0.568 176.757 177.300 0.042 0.000 1.175 538 P CA 0.139 63.293 63.100 0.089 0.000 0.761 538 P CB 0.044 31.778 31.700 0.056 0.000 0.794 539 I N 6.151 126.693 120.570 -0.046 0.000 2.371 539 I HA 0.133 4.303 4.170 0.000 0.000 0.290 539 I C -1.199 174.883 176.117 -0.059 0.000 1.028 539 I CA -1.817 59.415 61.300 -0.114 0.000 1.345 539 I CB 1.114 38.946 38.000 -0.280 0.000 1.407 539 I HN 0.330 nan 8.210 nan 0.000 0.501 540 P HA -0.156 nan 4.420 nan 0.000 0.217 540 P C 1.373 178.653 177.300 -0.033 0.000 1.150 540 P CA 0.907 63.992 63.100 -0.024 0.000 0.832 540 P CB 0.239 31.931 31.700 -0.012 0.000 0.787 541 A N 0.017 122.811 122.820 -0.043 0.000 2.070 541 A HA -0.024 4.296 4.320 0.000 0.000 0.220 541 A C 2.251 179.804 177.584 -0.051 0.000 1.159 541 A CA 1.592 53.605 52.037 -0.041 0.000 0.656 541 A CB -1.388 17.588 19.000 -0.039 0.000 0.800 541 A HN 0.201 nan 8.150 nan 0.000 0.453 542 A N -0.349 122.435 122.820 -0.060 0.000 2.019 542 A HA -0.049 4.271 4.320 0.000 0.000 0.219 542 A C 2.345 179.886 177.584 -0.072 0.000 1.164 542 A CA 1.879 53.875 52.037 -0.069 0.000 0.644 542 A CB -0.639 18.324 19.000 -0.061 0.000 0.805 542 A HN 0.454 nan 8.150 nan 0.000 0.449 543 S N -0.677 114.990 115.700 -0.055 0.000 2.428 543 S HA -0.044 4.426 4.470 0.000 0.000 0.230 543 S C 2.341 176.907 174.600 -0.057 0.000 1.014 543 S CA 1.320 59.489 58.200 -0.052 0.000 0.957 543 S CB -0.371 62.808 63.200 -0.036 0.000 0.784 543 S HN 0.826 nan 8.310 nan 0.000 0.499 544 R N 0.525 120.993 120.500 -0.052 0.000 2.236 544 R HA 0.280 4.620 4.340 0.000 0.000 0.208 544 R C 0.677 176.940 176.300 -0.063 0.000 1.036 544 R CA 0.538 56.609 56.100 -0.047 0.000 1.001 544 R CB -1.190 29.090 30.300 -0.034 0.000 0.896 544 R HN 0.278 nan 8.270 nan 0.000 0.464 545 L N 2.582 123.751 121.223 -0.090 0.000 2.562 545 L HA 0.113 4.453 4.340 0.000 0.000 0.271 545 L C 0.037 176.812 176.870 -0.158 0.000 1.167 545 L CA -0.083 54.679 54.840 -0.130 0.000 0.917 545 L CB 1.077 43.024 42.059 -0.187 0.000 1.187 545 L HN 0.298 nan 8.230 nan 0.000 0.482 546 D N 4.107 124.433 120.400 -0.124 0.000 2.416 546 D HA 0.020 4.660 4.640 0.000 0.000 0.240 546 D C 0.384 176.559 176.300 -0.208 0.000 1.250 546 D CA -0.193 53.737 54.000 -0.117 0.000 0.967 546 D CB 0.650 41.421 40.800 -0.049 0.000 1.059 546 D HN 0.280 nan 8.370 nan 0.000 0.512 547 L N 2.944 123.966 121.223 -0.335 0.000 2.685 547 L HA 0.073 4.413 4.340 0.000 0.000 0.233 547 L C 0.824 177.483 176.870 -0.351 0.000 1.173 547 L CA -0.015 54.422 54.840 -0.670 0.000 0.961 547 L CB -0.555 41.035 42.059 -0.781 0.000 1.217 547 L HN 0.221 nan 8.230 nan 0.000 0.478 548 S N -1.579 114.053 115.700 -0.113 0.000 2.564 548 S HA 0.543 5.013 4.470 0.000 0.000 0.278 548 S C 1.360 176.019 174.600 0.100 0.000 1.333 548 S CA 0.059 58.259 58.200 -0.000 0.000 1.048 548 S CB 1.328 64.520 63.200 -0.013 0.000 0.900 548 S HN 0.534 nan 8.310 nan 0.000 0.505 549 G N 1.798 110.654 108.800 0.094 0.000 2.268 549 G HA2 -0.260 3.700 3.960 0.000 0.000 0.240 549 G HA3 -0.260 3.700 3.960 0.000 0.000 0.240 549 G C 0.591 175.645 174.900 0.256 0.000 1.010 549 G CA 0.308 45.445 45.100 0.061 0.000 0.618 549 G HN 0.691 nan 8.290 nan 0.000 0.516 550 W N 0.358 121.569 121.300 -0.148 0.000 2.354 550 W HA 0.374 5.034 4.660 -0.000 0.000 0.315 550 W C 1.412 177.551 176.519 -0.632 0.000 1.206 550 W CA 1.669 58.692 57.345 -0.538 0.000 1.290 550 W CB -0.498 28.365 29.460 -0.995 0.000 1.152 550 W HN 0.224 nan 8.180 nan 0.000 0.489 551 F N -0.992 119.162 119.950 0.341 0.000 2.597 551 F HA 0.308 4.835 4.527 0.000 0.000 0.336 551 F C 0.655 176.604 175.800 0.249 0.000 1.432 551 F CA -0.673 57.520 58.000 0.322 0.000 1.120 551 F CB -0.410 38.740 39.000 0.249 0.000 1.253 551 F HN -0.379 nan 8.300 nan 0.000 0.546 552 V N -0.030 120.097 119.914 0.356 0.000 2.581 552 V HA 0.534 4.654 4.120 0.000 0.000 0.240 552 V C 1.092 177.340 176.094 0.256 0.000 1.054 552 V CA 0.969 63.423 62.300 0.257 0.000 1.076 552 V CB 0.222 32.170 31.823 0.207 0.000 0.748 552 V HN 0.401 nan 8.190 nan 0.000 0.474 553 A N -0.949 121.994 122.820 0.205 0.000 2.588 553 A HA 0.783 5.103 4.320 0.000 0.000 0.290 553 A C -0.274 177.023 177.584 -0.477 0.000 1.136 553 A CA 0.065 52.076 52.037 -0.043 0.000 0.681 553 A CB 1.010 19.829 19.000 -0.301 0.000 1.282 553 A HN 0.374 nan 8.150 nan 0.000 0.421 554 G N -1.455 106.791 108.800 -0.922 0.000 2.371 554 G HA2 0.546 4.506 3.960 0.000 0.000 0.326 554 G HA3 0.546 4.506 3.960 0.000 0.000 0.326 554 G C -0.948 173.320 174.900 -1.054 0.000 1.127 554 G CA -0.071 44.148 45.100 -1.469 0.000 0.885 554 G HN 0.569 nan 8.290 nan 0.000 0.477 555 Y N 0.847 120.946 120.300 -0.335 0.000 2.738 555 Y HA 0.312 4.862 4.550 0.000 0.000 0.249 555 Y C 1.425 177.246 175.900 -0.131 0.000 1.157 555 Y CA -0.798 57.196 58.100 -0.175 0.000 1.189 555 Y CB 0.571 38.950 38.460 -0.135 0.000 1.262 555 Y HN 0.491 nan 8.280 nan 0.000 0.554 556 S N 0.474 116.142 115.700 -0.052 0.000 2.546 556 S HA 0.323 4.793 4.470 0.000 0.000 0.290 556 S C 1.452 176.070 174.600 0.029 0.000 1.290 556 S CA 1.485 59.685 58.200 0.000 0.000 1.069 556 S CB 0.087 63.291 63.200 0.006 0.000 0.846 556 S HN 0.989 nan 8.310 nan 0.000 0.495 557 G N 3.565 112.386 108.800 0.036 0.000 2.245 557 G HA2 -0.245 3.715 3.960 0.000 0.000 0.264 557 G HA3 -0.245 3.715 3.960 0.000 0.000 0.264 557 G C 0.869 175.801 174.900 0.054 0.000 0.985 557 G CA 0.456 45.586 45.100 0.049 0.000 0.625 557 G HN 1.300 nan 8.290 nan 0.000 0.536 558 G N -0.129 108.707 108.800 0.060 0.000 2.985 558 G HA2 0.389 4.349 3.960 0.000 0.000 0.209 558 G HA3 0.389 4.349 3.960 0.000 0.000 0.209 558 G C 0.467 175.393 174.900 0.043 0.000 1.165 558 G CA 1.186 46.336 45.100 0.084 0.000 0.776 558 G HN 1.264 nan 8.290 nan 0.000 0.541 559 D N -0.535 119.858 120.400 -0.011 0.000 2.716 559 D HA -0.159 4.481 4.640 0.000 0.000 0.239 559 D C -0.142 176.098 176.300 -0.100 0.000 1.125 559 D CA 0.324 54.292 54.000 -0.054 0.000 0.681 559 D CB -1.224 39.558 40.800 -0.029 0.000 1.070 559 D HN 0.121 nan 8.370 nan 0.000 0.432 560 I N 1.392 121.859 120.570 -0.171 0.000 2.404 560 I HA 0.367 4.537 4.170 0.000 0.000 0.293 560 I C -0.100 175.776 176.117 -0.402 0.000 0.992 560 I CA -0.755 60.333 61.300 -0.353 0.000 1.149 560 I CB 1.200 38.830 38.000 -0.616 0.000 1.315 560 I HN 0.103 nan 8.210 nan 0.000 0.446 561 Y N 5.728 125.706 120.300 -0.537 0.000 2.361 561 Y HA 0.428 4.978 4.550 -0.000 0.000 0.337 561 Y C -0.739 174.870 175.900 -0.485 0.000 0.965 561 Y CA -0.561 57.239 58.100 -0.501 0.000 1.091 561 Y CB 1.267 39.539 38.460 -0.313 0.000 1.182 561 Y HN 0.537 nan 8.280 nan 0.000 0.450 562 H N 4.388 122.830 119.070 -1.046 0.000 2.645 562 H HA 0.575 5.131 4.556 0.000 0.000 0.257 562 H C -0.747 174.127 175.328 -0.757 0.000 1.269 562 H CA -0.445 55.127 56.048 -0.795 0.000 1.409 562 H CB 0.875 30.131 29.762 -0.843 0.000 1.434 562 H HN 0.612 nan 8.280 nan 0.000 0.505 563 S N 0.000 115.407 115.700 -0.489 0.000 2.498 563 S HA 0.000 4.470 4.470 0.000 0.000 0.327 563 S CA 0.000 58.055 58.200 -0.242 0.000 1.107 563 S CB 0.000 62.995 63.200 -0.342 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517