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 2vpw_1_A DATA FIRST_RESID 30 DATA SEQUENCE APWYAQEVKS VYQICEGCFW RCGIVAHAVG NRVYKVEGYE ANPKSRGRLC DATA SEQUENCE PRGQGAPQTT YDPDRLKRPL IRVEGSQRGE GKYRVATWEE ALDHIAKKML DATA SEQUENCE EIREKYGPEA IAFFGHGTGD YWFVDFLPAA WGSPNAAKPS VSLCTAPREV DATA SEQUENCE ASQWVFGRPI GGHEPIDWEN ARYIVLIGHH IGEDTHNTQL QDFALALKNG DATA SEQUENCE AKVVVVDPRF STAAAKAHRW LPIKPGTDTA LLLAWIHVLI YEDLYDKEYV DATA SEQUENCE AKYTVGFEEL KAHVKDFTPE WAEKHTEIPA QVIREVAREM AAHKPRAVLP DATA SEQUENCE PTRHNVWYGD DTYRVMALLY VNVLLGNYGR PGGFYIAQSP YLEKYPLPPL DATA SEQUENCE PLEPAAGGCS GPSGGDHEPE GFKPRADKGK FFARSTAIQE LIEPMITGEP DATA SEQUENCE YPIKGLFAYG INLFHSIPNV PRTKEALKNL DLYVAIDVLP QEHVMWADVI DATA SEQUENCE LPEATYLERY DDFVLVAHKT PFIQLRTPAH EPLFDTKPGW WIARELGLRL DATA SEQUENCE GLEQYFPWKT IEEYLETRLQ SLGLDLETMK GMGTLVQRGK PWLEDWEKEG DATA SEQUENCE RLPFGTASGK IELYCQRFKE AGHQPLPVFT PPEEPPEGFY RLLYGRSPVH DATA SEQUENCE TFARTQNNWV LMEMDPENEV WIHKEEAKRL GLKEGDYVML VNQDGVKEGP DATA SEQUENCE VRVKPTARIR KDCVYIVHGF GHKAPLMRLA HGRGASDNYL QTRYKLDPIS DATA SEQUENCE GGAGLRVNFV RLEKAERPRL PSLTGLAKRP FDERR 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 30 A HA 0.000 nan 4.320 nan 0.000 0.244 30 A C 0.000 177.437 177.584 -0.245 0.000 1.274 30 A CA 0.000 51.946 52.037 -0.152 0.000 0.836 30 A CB 0.000 18.939 19.000 -0.103 0.000 0.831 31 P HA 0.078 nan 4.420 nan 0.000 0.266 31 P C 0.999 177.834 177.300 -0.775 0.000 1.195 31 P CA -0.036 62.683 63.100 -0.636 0.000 0.768 31 P CB 0.088 31.138 31.700 -1.084 0.000 0.838 32 W N 3.394 124.257 121.300 -0.729 0.000 2.358 32 W HA -0.243 4.417 4.660 -0.000 0.000 0.303 32 W C 1.224 177.455 176.519 -0.479 0.000 1.208 32 W CA 1.181 58.079 57.345 -0.745 0.000 1.274 32 W CB -1.780 26.983 29.460 -1.161 0.000 1.138 32 W HN 0.456 nan 8.180 nan 0.000 0.515 33 Y N 0.468 119.834 120.300 -1.556 0.000 2.639 33 Y HA 0.413 4.963 4.550 -0.000 0.000 0.297 33 Y C 2.386 177.941 175.900 -0.576 0.000 1.151 33 Y CA 0.927 58.237 58.100 -1.317 0.000 1.335 33 Y CB -1.512 36.007 38.460 -1.567 0.000 0.994 33 Y HN -0.027 nan 8.280 nan 0.000 0.548 34 A N -0.283 122.128 122.820 -0.682 0.000 2.115 34 A HA 0.096 4.416 4.320 -0.000 0.000 0.211 34 A C 1.089 178.534 177.584 -0.231 0.000 1.169 34 A CA -0.213 51.619 52.037 -0.341 0.000 0.787 34 A CB -0.194 18.589 19.000 -0.360 0.000 0.858 34 A HN 0.484 nan 8.150 nan 0.000 0.474 35 Q N 1.226 120.868 119.800 -0.264 0.000 2.354 35 Q HA 0.202 4.542 4.340 -0.000 0.000 0.244 35 Q C -0.225 175.732 176.000 -0.071 0.000 0.969 35 Q CA -0.556 55.160 55.803 -0.144 0.000 0.885 35 Q CB 0.573 29.232 28.738 -0.131 0.000 1.241 35 Q HN 0.606 nan 8.270 nan 0.000 0.461 36 E N 1.050 121.236 120.200 -0.023 0.000 2.568 36 E HA -0.035 4.315 4.350 -0.000 0.000 0.262 36 E C -0.833 175.809 176.600 0.071 0.000 0.961 36 E CA 0.278 56.688 56.400 0.016 0.000 0.945 36 E CB 0.222 29.933 29.700 0.018 0.000 0.924 36 E HN 0.168 nan 8.360 nan 0.000 0.467 37 V N 2.372 122.344 119.914 0.096 0.000 3.126 37 V HA 0.477 4.597 4.120 -0.000 0.000 0.314 37 V C -0.266 175.907 176.094 0.131 0.000 1.138 37 V CA -1.096 61.307 62.300 0.173 0.000 1.034 37 V CB 2.181 34.172 31.823 0.279 0.000 1.075 37 V HN 0.617 nan 8.190 nan 0.000 0.442 38 K N 1.185 121.672 120.400 0.144 0.000 2.507 38 K HA 0.645 4.965 4.320 -0.000 0.000 0.251 38 K C -1.013 175.639 176.600 0.087 0.000 0.943 38 K CA -0.355 55.984 56.287 0.088 0.000 0.794 38 K CB 2.070 34.604 32.500 0.057 0.000 1.188 38 K HN 0.622 nan 8.250 nan 0.000 0.428 39 S N 0.597 116.321 115.700 0.040 0.000 2.722 39 S HA 0.772 5.242 4.470 -0.000 0.000 0.292 39 S C -0.261 174.247 174.600 -0.153 0.000 1.135 39 S CA -0.747 57.419 58.200 -0.056 0.000 1.003 39 S CB 1.560 64.715 63.200 -0.076 0.000 1.067 39 S HN 0.463 nan 8.310 nan 0.000 0.546 40 V N -1.099 118.664 119.914 -0.251 0.000 3.167 40 V HA 0.506 4.626 4.120 -0.000 0.000 0.293 40 V C -2.056 173.855 176.094 -0.305 0.000 1.379 40 V CA -1.130 61.026 62.300 -0.239 0.000 1.019 40 V CB 0.819 32.561 31.823 -0.136 0.000 1.115 40 V HN 0.859 nan 8.190 nan 0.000 0.442 41 Y N 1.620 121.847 120.300 -0.121 0.000 2.365 41 Y HA 0.716 5.266 4.550 -0.000 0.000 0.340 41 Y C 0.360 176.252 175.900 -0.012 0.000 1.016 41 Y CA 0.324 58.352 58.100 -0.120 0.000 1.196 41 Y CB 1.681 40.067 38.460 -0.123 0.000 1.167 41 Y HN 0.855 nan 8.280 nan 0.000 0.509 42 Q N 3.240 123.183 119.800 0.239 0.000 2.309 42 Q HA 0.446 4.786 4.340 -0.000 0.000 0.273 42 Q C -1.357 174.797 176.000 0.256 0.000 1.040 42 Q CA -0.539 55.377 55.803 0.189 0.000 0.834 42 Q CB 1.446 30.234 28.738 0.083 0.000 1.345 42 Q HN 0.615 nan 8.270 nan 0.000 0.414 43 I N 1.590 122.305 120.570 0.241 0.000 2.696 43 I HA 0.178 4.348 4.170 -0.000 0.000 0.284 43 I C 0.385 176.632 176.117 0.216 0.000 1.129 43 I CA -0.681 60.749 61.300 0.216 0.000 1.410 43 I CB 0.714 38.821 38.000 0.178 0.000 1.399 43 I HN 0.656 nan 8.210 nan 0.000 0.579 44 C N 5.476 124.833 119.300 0.096 0.000 2.435 44 C HA 0.216 4.676 4.460 -0.000 0.000 0.375 44 C C 1.163 175.962 174.990 -0.318 0.000 1.281 44 C CA -0.278 58.670 59.018 -0.116 0.000 1.963 44 C CB 0.279 27.997 27.740 -0.037 0.000 2.490 44 C HN 0.898 nan 8.230 nan 0.000 0.557 45 E N 2.523 122.189 120.200 -0.891 0.000 2.465 45 E HA 0.214 4.564 4.350 -0.000 0.000 0.195 45 E C 1.737 178.106 176.600 -0.386 0.000 1.028 45 E CA 0.709 56.819 56.400 -0.484 0.000 0.899 45 E CB -0.108 29.365 29.700 -0.378 0.000 1.032 45 E HN 1.013 nan 8.360 nan 0.000 0.468 46 G N 0.223 108.778 108.800 -0.409 0.000 2.503 46 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.221 46 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.221 46 G C 0.896 175.648 174.900 -0.247 0.000 1.131 46 G CA 1.228 46.168 45.100 -0.267 0.000 0.756 46 G HN 0.522 nan 8.290 nan 0.000 0.572 47 C N -4.321 114.854 119.300 -0.209 0.000 3.266 47 C HA 0.644 5.104 4.460 -0.000 0.000 0.369 47 C C 0.889 175.814 174.990 -0.107 0.000 1.580 47 C CA -1.151 57.651 59.018 -0.361 0.000 1.165 47 C CB -0.147 27.396 27.740 -0.328 0.000 1.835 47 C HN 0.114 nan 8.230 nan 0.000 0.433 48 F N 0.156 120.225 119.950 0.198 0.000 2.811 48 F HA 0.169 4.696 4.527 -0.000 0.000 0.301 48 F C 1.934 177.828 175.800 0.158 0.000 1.151 48 F CA 0.003 58.093 58.000 0.151 0.000 1.412 48 F CB 0.017 39.103 39.000 0.143 0.000 1.113 48 F HN 0.694 nan 8.300 nan 0.000 0.579 49 W N 2.296 123.602 121.300 0.010 0.000 2.465 49 W HA -0.087 4.573 4.660 -0.000 0.000 0.268 49 W C 0.553 177.082 176.519 0.018 0.000 1.242 49 W CA 0.978 58.249 57.345 -0.123 0.000 1.248 49 W CB -0.012 29.300 29.460 -0.247 0.000 1.118 49 W HN 0.035 nan 8.180 nan 0.000 0.587 50 R N -0.296 120.315 120.500 0.185 0.000 3.264 50 R HA -0.207 4.133 4.340 -0.000 0.000 0.251 50 R C 0.002 176.376 176.300 0.124 0.000 0.971 50 R CA 0.543 56.713 56.100 0.118 0.000 0.658 50 R CB -2.675 27.674 30.300 0.082 0.000 1.095 50 R HN -0.032 nan 8.270 nan 0.000 0.443 51 C N 0.103 119.513 119.300 0.182 0.000 2.679 51 C HA 0.304 4.764 4.460 -0.000 0.000 0.417 51 C C 1.866 176.935 174.990 0.131 0.000 1.302 51 C CA -0.093 59.030 59.018 0.175 0.000 1.973 51 C CB 0.417 28.274 27.740 0.195 0.000 2.715 51 C HN 0.634 nan 8.230 nan 0.000 0.628 52 G N 2.168 111.010 108.800 0.070 0.000 2.370 52 G HA2 0.557 4.517 3.960 -0.000 0.000 0.272 52 G HA3 0.557 4.517 3.960 -0.000 0.000 0.272 52 G C -0.564 174.457 174.900 0.201 0.000 1.208 52 G CA -0.299 44.862 45.100 0.101 0.000 0.856 52 G HN 0.905 nan 8.290 nan 0.000 0.500 53 I N -0.596 120.230 120.570 0.426 0.000 3.074 53 I HA 0.747 4.917 4.170 -0.000 0.000 0.310 53 I C -0.827 175.509 176.117 0.365 0.000 1.153 53 I CA -1.423 60.115 61.300 0.398 0.000 0.993 53 I CB 2.357 40.493 38.000 0.226 0.000 1.237 53 I HN 0.224 nan 8.210 nan 0.000 0.443 54 V N 2.556 122.570 119.914 0.168 0.000 2.483 54 V HA 0.805 4.925 4.120 -0.000 0.000 0.295 54 V C 0.299 176.225 176.094 -0.280 0.000 1.035 54 V CA -0.401 61.815 62.300 -0.140 0.000 0.896 54 V CB 1.415 33.067 31.823 -0.286 0.000 0.986 54 V HN 0.941 nan 8.190 nan 0.000 0.447 55 A N 3.868 126.497 122.820 -0.318 0.000 2.318 55 A HA 0.708 5.028 4.320 -0.000 0.000 0.324 55 A C -0.543 176.825 177.584 -0.360 0.000 1.170 55 A CA -0.579 51.284 52.037 -0.289 0.000 0.810 55 A CB 0.465 19.369 19.000 -0.160 0.000 1.198 55 A HN 0.888 nan 8.150 nan 0.000 0.484 56 H N 1.769 120.807 119.070 -0.054 0.000 2.641 56 H HA 0.557 5.112 4.556 -0.000 0.000 0.295 56 H C 0.132 175.449 175.328 -0.019 0.000 1.070 56 H CA 0.146 56.192 56.048 -0.004 0.000 1.257 56 H CB 1.336 31.119 29.762 0.035 0.000 1.393 56 H HN 0.798 nan 8.280 nan 0.000 0.464 57 A N 3.001 125.912 122.820 0.151 0.000 2.320 57 A HA 0.599 4.919 4.320 -0.000 0.000 0.334 57 A C -0.367 177.352 177.584 0.226 0.000 1.147 57 A CA -0.670 51.454 52.037 0.144 0.000 0.820 57 A CB 1.324 20.391 19.000 0.111 0.000 1.218 57 A HN 0.443 nan 8.150 nan 0.000 0.482 58 V N 2.297 122.367 119.914 0.260 0.000 2.357 58 V HA 0.597 4.717 4.120 -0.000 0.000 0.281 58 V C 0.877 177.058 176.094 0.146 0.000 1.015 58 V CA 0.684 63.130 62.300 0.242 0.000 0.827 58 V CB 0.087 32.102 31.823 0.321 0.000 1.018 58 V HN 2.122 nan 8.190 nan 0.000 0.432 59 G N 5.168 114.013 108.800 0.075 0.000 2.547 59 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.271 59 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.271 59 G C 0.356 175.219 174.900 -0.062 0.000 1.209 59 G CA 0.553 45.660 45.100 0.012 0.000 0.959 59 G HN 0.687 nan 8.290 nan 0.000 0.563 60 N N 1.107 119.700 118.700 -0.178 0.000 2.623 60 N HA 0.366 5.106 4.740 -0.000 0.000 0.263 60 N C 0.229 175.355 175.510 -0.639 0.000 1.218 60 N CA 0.159 52.912 53.050 -0.496 0.000 0.949 60 N CB 0.060 38.298 38.487 -0.415 0.000 1.270 60 N HN 0.595 nan 8.380 nan 0.000 0.507 61 R N -0.249 120.027 120.500 -0.372 0.000 2.522 61 R HA 0.172 4.512 4.340 -0.000 0.000 0.273 61 R C -1.874 174.182 176.300 -0.408 0.000 1.133 61 R CA -0.477 55.303 56.100 -0.534 0.000 0.969 61 R CB 0.757 30.527 30.300 -0.882 0.000 1.235 61 R HN -0.178 nan 8.270 nan 0.000 0.433 62 V N 6.818 126.606 119.914 -0.210 0.000 2.387 62 V HA 0.145 4.265 4.120 -0.000 0.000 0.260 62 V C 0.204 176.049 176.094 -0.415 0.000 1.054 62 V CA 0.162 62.363 62.300 -0.165 0.000 0.967 62 V CB 0.456 32.270 31.823 -0.016 0.000 1.036 62 V HN 0.816 nan 8.190 nan 0.000 0.481 63 Y N 3.222 123.278 120.300 -0.407 0.000 2.420 63 Y HA 0.182 4.732 4.550 -0.000 0.000 0.292 63 Y C 1.243 176.682 175.900 -0.768 0.000 1.119 63 Y CA 0.543 58.236 58.100 -0.678 0.000 1.229 63 Y CB 0.501 38.298 38.460 -1.105 0.000 1.026 63 Y HN 0.446 nan 8.280 nan 0.000 0.554 64 K N -0.684 119.396 120.400 -0.534 0.000 2.546 64 K HA 0.603 4.923 4.320 -0.000 0.000 0.264 64 K C -2.031 174.532 176.600 -0.062 0.000 0.937 64 K CA -0.660 55.447 56.287 -0.300 0.000 0.833 64 K CB 2.048 34.295 32.500 -0.422 0.000 1.378 64 K HN -0.263 nan 8.250 nan 0.000 0.432 65 V N 1.917 121.841 119.914 0.017 0.000 2.876 65 V HA 0.710 4.830 4.120 -0.000 0.000 0.312 65 V C -1.344 174.804 176.094 0.091 0.000 1.085 65 V CA -0.457 61.852 62.300 0.015 0.000 0.945 65 V CB 2.220 34.062 31.823 0.032 0.000 1.017 65 V HN 0.904 nan 8.190 nan 0.000 0.428 66 E N 1.296 121.550 120.200 0.091 0.000 2.413 66 E HA 0.686 5.036 4.350 -0.000 0.000 0.277 66 E C -0.072 176.639 176.600 0.185 0.000 0.958 66 E CA 0.007 56.500 56.400 0.154 0.000 0.779 66 E CB 2.148 31.987 29.700 0.232 0.000 1.278 66 E HN 0.885 nan 8.360 nan 0.000 0.456 67 G N 0.492 109.393 108.800 0.169 0.000 2.621 67 G HA2 0.438 4.398 3.960 -0.000 0.000 0.271 67 G HA3 0.438 4.398 3.960 -0.000 0.000 0.271 67 G C -1.152 173.923 174.900 0.291 0.000 1.236 67 G CA 0.052 45.259 45.100 0.178 0.000 0.958 67 G HN 0.504 nan 8.290 nan 0.000 0.512 68 Y N -3.044 117.310 120.300 0.089 0.000 2.513 68 Y HA 0.542 5.092 4.550 -0.000 0.000 0.340 68 Y C 0.866 176.792 175.900 0.043 0.000 1.055 68 Y CA -1.152 57.007 58.100 0.098 0.000 1.020 68 Y CB 1.191 39.762 38.460 0.184 0.000 1.301 68 Y HN 0.445 nan 8.280 nan 0.000 0.453 69 E N 2.368 122.667 120.200 0.165 0.000 2.035 69 E HA -0.290 4.060 4.350 -0.000 0.000 0.204 69 E C 2.156 178.726 176.600 -0.050 0.000 1.025 69 E CA 2.100 58.527 56.400 0.045 0.000 0.835 69 E CB -0.583 29.163 29.700 0.076 0.000 0.764 69 E HN 0.919 nan 8.360 nan 0.000 0.457 70 A N 1.732 124.551 122.820 -0.002 0.000 1.903 70 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 70 A C 1.411 178.805 177.584 -0.316 0.000 1.191 70 A CA 1.321 53.299 52.037 -0.098 0.000 0.638 70 A CB -1.010 17.991 19.000 0.002 0.000 0.823 70 A HN 0.316 nan 8.150 nan 0.000 0.451 71 N N 0.525 118.890 118.700 -0.558 0.000 2.315 71 N HA 0.060 4.800 4.740 -0.000 0.000 0.270 71 N C -2.092 173.045 175.510 -0.622 0.000 1.329 71 N CA -0.707 51.891 53.050 -0.754 0.000 0.860 71 N CB 0.683 38.506 38.487 -1.106 0.000 1.095 71 N HN 0.043 nan 8.380 nan 0.000 0.487 72 P HA -0.076 nan 4.420 nan 0.000 0.234 72 P C 0.258 177.351 177.300 -0.346 0.000 1.167 72 P CA 1.080 63.744 63.100 -0.727 0.000 0.763 72 P CB 0.303 31.217 31.700 -1.309 0.000 0.835 73 K N -0.666 119.593 120.400 -0.236 0.000 2.108 73 K HA 0.035 4.355 4.320 -0.000 0.000 0.204 73 K C 2.160 178.837 176.600 0.128 0.000 1.036 73 K CA 1.537 57.911 56.287 0.145 0.000 0.965 73 K CB -0.260 32.363 32.500 0.206 0.000 0.804 73 K HN 0.135 nan 8.250 nan 0.000 0.454 74 S N 0.707 116.401 115.700 -0.010 0.000 2.406 74 S HA -0.009 4.461 4.470 -0.000 0.000 0.224 74 S C 0.651 175.239 174.600 -0.020 0.000 1.030 74 S CA 0.055 58.261 58.200 0.011 0.000 0.958 74 S CB -0.229 62.968 63.200 -0.005 0.000 0.811 74 S HN 0.231 nan 8.310 nan 0.000 0.489 75 R N 1.369 121.810 120.500 -0.099 0.000 3.502 75 R HA -0.176 4.164 4.340 -0.000 0.000 0.266 75 R C 1.099 177.397 176.300 -0.004 0.000 1.077 75 R CA 0.283 56.344 56.100 -0.065 0.000 0.718 75 R CB -2.447 27.835 30.300 -0.029 0.000 1.120 75 R HN 0.907 nan 8.270 nan 0.000 0.457 76 G N -1.331 107.482 108.800 0.022 0.000 2.254 76 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.225 76 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.225 76 G C 0.205 175.147 174.900 0.070 0.000 1.003 76 G CA 0.194 45.337 45.100 0.073 0.000 0.622 76 G HN 0.289 nan 8.290 nan 0.000 0.507 77 R N -0.390 120.138 120.500 0.046 0.000 2.700 77 R HA 0.915 5.255 4.340 -0.000 0.000 0.253 77 R C -0.856 175.470 176.300 0.044 0.000 1.091 77 R CA -0.644 55.480 56.100 0.040 0.000 1.104 77 R CB 1.135 31.447 30.300 0.020 0.000 1.202 77 R HN 0.430 nan 8.270 nan 0.000 0.532 78 L N -0.068 121.172 121.223 0.028 0.000 2.545 78 L HA 0.240 4.580 4.340 -0.000 0.000 0.258 78 L C -0.488 176.374 176.870 -0.013 0.000 0.942 78 L CA -0.665 54.188 54.840 0.021 0.000 0.855 78 L CB 1.530 43.613 42.059 0.039 0.000 1.374 78 L HN 1.015 nan 8.230 nan 0.000 0.411 79 C N 2.919 122.196 119.300 -0.038 0.000 2.480 79 C HA 0.589 5.049 4.460 -0.000 0.000 0.358 79 C C -0.975 173.970 174.990 -0.075 0.000 1.309 79 C CA -0.820 58.154 59.018 -0.074 0.000 2.465 79 C CB 0.946 28.616 27.740 -0.116 0.000 2.379 79 C HN 0.810 nan 8.230 nan 0.000 0.642 80 P HA -0.146 nan 4.420 nan 0.000 0.215 80 P C 1.446 178.674 177.300 -0.122 0.000 1.153 80 P CA 1.827 64.867 63.100 -0.101 0.000 0.853 80 P CB -0.126 31.504 31.700 -0.116 0.000 0.788 81 R N -0.424 119.989 120.500 -0.143 0.000 2.120 81 R HA -0.039 4.301 4.340 -0.000 0.000 0.234 81 R C 2.731 178.959 176.300 -0.120 0.000 1.123 81 R CA 1.543 57.549 56.100 -0.157 0.000 0.975 81 R CB -1.193 28.994 30.300 -0.189 0.000 0.866 81 R HN 0.273 nan 8.270 nan 0.000 0.446 82 G N 0.382 109.130 108.800 -0.087 0.000 2.394 82 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 82 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 82 G C 1.291 176.179 174.900 -0.020 0.000 1.165 82 G CA 0.144 45.217 45.100 -0.045 0.000 0.784 82 G HN 0.179 nan 8.290 nan 0.000 0.535 83 Q N 0.294 120.073 119.800 -0.035 0.000 2.119 83 Q HA -0.037 4.303 4.340 -0.000 0.000 0.201 83 Q C 2.670 178.632 176.000 -0.063 0.000 0.972 83 Q CA 1.458 57.243 55.803 -0.031 0.000 0.847 83 Q CB -0.483 28.236 28.738 -0.031 0.000 0.903 83 Q HN 0.473 nan 8.270 nan 0.000 0.433 84 G N 0.048 108.787 108.800 -0.102 0.000 2.838 84 G HA2 0.114 4.074 3.960 -0.000 0.000 0.210 84 G HA3 0.114 4.074 3.960 -0.000 0.000 0.210 84 G C 1.505 176.328 174.900 -0.128 0.000 1.153 84 G CA 0.554 45.561 45.100 -0.156 0.000 0.778 84 G HN 0.366 nan 8.290 nan 0.000 0.539 85 A N 1.800 124.579 122.820 -0.068 0.000 1.997 85 A HA -0.045 4.275 4.320 -0.000 0.000 0.221 85 A C 0.495 178.122 177.584 0.070 0.000 1.172 85 A CA 1.758 53.788 52.037 -0.012 0.000 0.645 85 A CB -1.031 17.958 19.000 -0.018 0.000 0.813 85 A HN 0.352 nan 8.150 nan 0.000 0.454 86 P HA -0.124 nan 4.420 nan 0.000 0.226 86 P C 1.348 178.581 177.300 -0.111 0.000 1.153 86 P CA 1.423 64.514 63.100 -0.014 0.000 0.777 86 P CB -0.010 31.693 31.700 0.005 0.000 0.794 87 Q N -0.979 118.742 119.800 -0.132 0.000 2.369 87 Q HA -0.074 4.266 4.340 -0.000 0.000 0.206 87 Q C 1.464 177.330 176.000 -0.223 0.000 0.963 87 Q CA 1.846 57.557 55.803 -0.153 0.000 0.894 87 Q CB -1.919 26.628 28.738 -0.318 0.000 0.965 87 Q HN 0.018 nan 8.270 nan 0.000 0.475 88 T N 0.241 114.679 114.554 -0.195 0.000 2.803 88 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 88 T C 1.462 175.989 174.700 -0.288 0.000 1.052 88 T CA 1.775 63.774 62.100 -0.169 0.000 1.136 88 T CB -0.506 68.308 68.868 -0.089 0.000 0.864 88 T HN 0.537 nan 8.240 nan 0.000 0.467 89 T N 0.662 114.898 114.554 -0.530 0.000 2.881 89 T HA -0.061 4.288 4.350 -0.000 0.000 0.270 89 T C 0.587 174.585 174.700 -1.170 0.000 1.068 89 T CA 0.962 62.565 62.100 -0.828 0.000 1.131 89 T CB -0.297 67.818 68.868 -1.255 0.000 0.871 89 T HN 0.607 nan 8.240 nan 0.000 0.479 90 Y N 0.754 120.660 120.300 -0.657 0.000 2.736 90 Y HA 0.415 4.965 4.550 -0.000 0.000 0.293 90 Y C 0.016 175.409 175.900 -0.845 0.000 1.062 90 Y CA -1.456 55.701 58.100 -1.572 0.000 1.247 90 Y CB 0.287 38.107 38.460 -1.067 0.000 1.200 90 Y HN -0.019 nan 8.280 nan 0.000 0.552 91 D N 2.405 122.645 120.400 -0.267 0.000 2.329 91 D HA 0.181 4.821 4.640 -0.000 0.000 0.232 91 D C -1.777 174.725 176.300 0.336 0.000 1.088 91 D CA -2.826 51.235 54.000 0.101 0.000 0.835 91 D CB 1.907 42.722 40.800 0.026 0.000 1.078 91 D HN -0.001 nan 8.370 nan 0.000 0.495 92 P HA -0.073 nan 4.420 nan 0.000 0.226 92 P C -0.046 177.307 177.300 0.087 0.000 1.146 92 P CA 0.782 64.055 63.100 0.288 0.000 0.773 92 P CB 0.495 32.320 31.700 0.208 0.000 0.772 93 D N -0.876 119.565 120.400 0.069 0.000 2.379 93 D HA 0.018 4.658 4.640 -0.000 0.000 0.208 93 D C 1.074 177.351 176.300 -0.037 0.000 1.065 93 D CA -0.004 53.991 54.000 -0.009 0.000 0.848 93 D CB -0.145 40.651 40.800 -0.005 0.000 0.949 93 D HN 0.353 nan 8.370 nan 0.000 0.509 94 R N 1.444 121.945 120.500 0.001 0.000 2.522 94 R HA 0.123 4.463 4.340 -0.000 0.000 0.284 94 R C 0.058 176.299 176.300 -0.098 0.000 1.032 94 R CA -0.302 55.786 56.100 -0.020 0.000 1.049 94 R CB 0.386 30.714 30.300 0.047 0.000 0.956 94 R HN -0.113 nan 8.270 nan 0.000 0.422 95 L N 4.033 125.196 121.223 -0.100 0.000 2.578 95 L HA -0.089 4.251 4.340 -0.000 0.000 0.279 95 L C 0.771 177.562 176.870 -0.132 0.000 1.227 95 L CA 0.639 55.396 54.840 -0.138 0.000 0.900 95 L CB 0.293 42.277 42.059 -0.125 0.000 1.144 95 L HN 0.865 nan 8.230 nan 0.000 0.496 96 K N 2.230 122.509 120.400 -0.202 0.000 2.412 96 K HA 0.214 4.534 4.320 -0.000 0.000 0.201 96 K C 0.076 176.636 176.600 -0.066 0.000 1.275 96 K CA -0.189 56.005 56.287 -0.156 0.000 0.910 96 K CB 0.400 32.595 32.500 -0.509 0.000 1.346 96 K HN 0.399 nan 8.250 nan 0.000 0.490 97 R N 1.205 121.612 120.500 -0.155 0.000 2.758 97 R HA 0.390 4.730 4.340 -0.000 0.000 0.265 97 R C -2.727 173.374 176.300 -0.333 0.000 1.016 97 R CA -2.227 53.755 56.100 -0.196 0.000 1.040 97 R CB -0.092 30.107 30.300 -0.169 0.000 1.152 97 R HN -0.129 nan 8.270 nan 0.000 0.503 98 P HA 0.150 nan 4.420 nan 0.000 0.272 98 P C -0.802 176.284 177.300 -0.357 0.000 1.223 98 P CA 0.101 62.845 63.100 -0.593 0.000 0.784 98 P CB 0.596 31.822 31.700 -0.790 0.000 0.923 99 L N 2.170 123.212 121.223 -0.302 0.000 2.445 99 L HA 0.550 4.890 4.340 -0.000 0.000 0.262 99 L C -0.193 176.622 176.870 -0.092 0.000 0.974 99 L CA -0.661 54.068 54.840 -0.184 0.000 0.822 99 L CB 1.998 43.905 42.059 -0.253 0.000 1.339 99 L HN 0.196 nan 8.230 nan 0.000 0.409 100 I N 1.595 122.152 120.570 -0.022 0.000 2.569 100 I HA 0.432 4.602 4.170 -0.000 0.000 0.296 100 I C 0.036 176.137 176.117 -0.027 0.000 1.028 100 I CA -0.738 60.518 61.300 -0.074 0.000 1.082 100 I CB 2.212 40.041 38.000 -0.284 0.000 1.264 100 I HN 0.513 nan 8.210 nan 0.000 0.429 101 R N 3.789 124.214 120.500 -0.124 0.000 2.458 101 R HA 0.190 4.530 4.340 -0.000 0.000 0.303 101 R C -0.688 175.434 176.300 -0.296 0.000 1.013 101 R CA -0.258 55.600 56.100 -0.403 0.000 1.026 101 R CB 0.539 30.659 30.300 -0.300 0.000 0.948 101 R HN 0.420 nan 8.270 nan 0.000 0.417 102 V N 4.821 124.541 119.914 -0.322 0.000 2.625 102 V HA -0.119 4.001 4.120 -0.000 0.000 0.305 102 V C 0.752 176.749 176.094 -0.161 0.000 1.055 102 V CA 0.741 62.920 62.300 -0.203 0.000 1.209 102 V CB 0.477 32.187 31.823 -0.189 0.000 0.877 102 V HN 0.653 nan 8.190 nan 0.000 0.489 103 E N 3.425 123.560 120.200 -0.108 0.000 2.415 103 E HA 0.323 4.673 4.350 -0.000 0.000 0.263 103 E C 1.117 177.674 176.600 -0.072 0.000 0.995 103 E CA 1.073 57.429 56.400 -0.073 0.000 0.915 103 E CB 0.666 30.343 29.700 -0.039 0.000 0.951 103 E HN 0.947 nan 8.360 nan 0.000 0.449 104 G N 2.846 111.606 108.800 -0.067 0.000 2.213 104 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.236 104 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.236 104 G C 0.247 175.096 174.900 -0.084 0.000 0.991 104 G CA 0.376 45.439 45.100 -0.062 0.000 0.629 104 G HN 0.797 nan 8.290 nan 0.000 0.517 105 S N 0.507 116.137 115.700 -0.117 0.000 2.525 105 S HA 0.703 5.173 4.470 -0.000 0.000 0.278 105 S C 0.006 174.511 174.600 -0.157 0.000 1.234 105 S CA -0.368 57.745 58.200 -0.146 0.000 1.058 105 S CB 2.295 65.379 63.200 -0.194 0.000 0.983 105 S HN 0.345 nan 8.310 nan 0.000 0.495 106 Q N 1.520 121.226 119.800 -0.157 0.000 2.395 106 Q HA 0.240 4.580 4.340 -0.000 0.000 0.271 106 Q C -0.010 175.840 176.000 -0.250 0.000 1.026 106 Q CA 0.503 56.202 55.803 -0.174 0.000 0.900 106 Q CB 0.345 28.977 28.738 -0.177 0.000 1.266 106 Q HN 0.661 nan 8.270 nan 0.000 0.430 107 R N 0.823 121.178 120.500 -0.241 0.000 2.370 107 R HA 0.340 4.680 4.340 -0.000 0.000 0.309 107 R C 0.751 176.537 176.300 -0.856 0.000 1.059 107 R CA 1.046 56.963 56.100 -0.304 0.000 0.981 107 R CB 0.040 30.320 30.300 -0.034 0.000 0.972 107 R HN 0.936 nan 8.270 nan 0.000 0.437 108 G N 2.531 110.717 108.800 -1.024 0.000 3.131 108 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.198 108 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.198 108 G C 0.006 174.583 174.900 -0.538 0.000 1.435 108 G CA -0.280 43.889 45.100 -1.553 0.000 1.016 108 G HN 0.593 nan 8.290 nan 0.000 0.499 109 E N 1.431 121.398 120.200 -0.389 0.000 2.508 109 E HA 0.371 4.721 4.350 -0.000 0.000 0.266 109 E C 1.120 177.613 176.600 -0.178 0.000 1.010 109 E CA 0.546 56.818 56.400 -0.214 0.000 0.955 109 E CB 0.315 29.893 29.700 -0.203 0.000 0.946 109 E HN 0.639 nan 8.360 nan 0.000 0.454 110 G N 3.896 112.647 108.800 -0.081 0.000 4.125 110 G HA2 0.087 4.047 3.960 -0.000 0.000 0.301 110 G HA3 0.087 4.047 3.960 -0.000 0.000 0.301 110 G C -0.404 174.482 174.900 -0.023 0.000 1.273 110 G CA -0.350 44.768 45.100 0.030 0.000 1.095 110 G HN 0.276 nan 8.290 nan 0.000 0.582 111 K N 0.979 121.212 120.400 -0.279 0.000 2.284 111 K HA 0.521 4.841 4.320 -0.000 0.000 0.287 111 K C -1.098 175.100 176.600 -0.670 0.000 1.081 111 K CA -0.128 55.971 56.287 -0.312 0.000 0.910 111 K CB 0.570 32.920 32.500 -0.250 0.000 1.088 111 K HN 0.342 nan 8.250 nan 0.000 0.478 112 Y N 1.054 121.297 120.300 -0.095 0.000 2.605 112 Y HA 0.513 5.063 4.550 -0.000 0.000 0.343 112 Y C -0.171 175.664 175.900 -0.108 0.000 1.036 112 Y CA -1.064 56.969 58.100 -0.111 0.000 1.065 112 Y CB 1.941 40.330 38.460 -0.120 0.000 1.288 112 Y HN 0.409 nan 8.280 nan 0.000 0.481 113 R N 0.349 120.876 120.500 0.044 0.000 2.673 113 R HA 0.733 5.073 4.340 -0.000 0.000 0.281 113 R C -1.760 174.519 176.300 -0.035 0.000 0.991 113 R CA -0.943 55.146 56.100 -0.018 0.000 0.896 113 R CB 1.746 32.013 30.300 -0.056 0.000 1.201 113 R HN 0.517 nan 8.270 nan 0.000 0.457 114 V N 1.626 121.507 119.914 -0.056 0.000 2.999 114 V HA 0.524 4.644 4.120 -0.000 0.000 0.307 114 V C -0.107 175.925 176.094 -0.102 0.000 1.084 114 V CA 0.807 63.052 62.300 -0.091 0.000 1.155 114 V CB 0.948 32.722 31.823 -0.083 0.000 0.975 114 V HN 1.044 nan 8.190 nan 0.000 0.490 115 A N 4.197 126.931 122.820 -0.142 0.000 2.583 115 A HA 0.738 5.058 4.320 -0.000 0.000 0.289 115 A C -0.373 177.115 177.584 -0.160 0.000 1.151 115 A CA -0.362 51.593 52.037 -0.138 0.000 0.695 115 A CB 1.795 20.698 19.000 -0.161 0.000 1.290 115 A HN 0.775 nan 8.150 nan 0.000 0.419 116 T N -0.613 113.882 114.554 -0.099 0.000 2.928 116 T HA 0.348 4.698 4.350 -0.000 0.000 0.284 116 T C 0.676 175.357 174.700 -0.032 0.000 1.008 116 T CA -0.009 62.067 62.100 -0.040 0.000 1.057 116 T CB 0.289 69.179 68.868 0.036 0.000 1.018 116 T HN 0.510 nan 8.240 nan 0.000 0.493 117 W N 1.319 122.661 121.300 0.070 0.000 2.342 117 W HA -0.103 4.557 4.660 -0.000 0.000 0.297 117 W C 2.091 178.691 176.519 0.134 0.000 1.213 117 W CA 0.858 58.282 57.345 0.132 0.000 1.251 117 W CB 0.022 29.614 29.460 0.219 0.000 1.136 117 W HN 0.799 nan 8.180 nan 0.000 0.526 118 E N -0.016 120.392 120.200 0.346 0.000 2.031 118 E HA -0.270 4.080 4.350 -0.000 0.000 0.193 118 E C 1.781 178.470 176.600 0.148 0.000 0.994 118 E CA 1.894 58.427 56.400 0.221 0.000 0.800 118 E CB -0.778 29.022 29.700 0.167 0.000 0.752 118 E HN 0.421 nan 8.360 nan 0.000 0.447 119 E N 0.769 121.031 120.200 0.103 0.000 2.077 119 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 119 E C 1.917 178.559 176.600 0.070 0.000 0.989 119 E CA 1.386 57.827 56.400 0.068 0.000 0.800 119 E CB -0.222 29.491 29.700 0.023 0.000 0.746 119 E HN 0.211 nan 8.360 nan 0.000 0.452 120 A N 0.944 123.783 122.820 0.031 0.000 1.898 120 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 120 A C 2.288 179.941 177.584 0.115 0.000 1.181 120 A CA 1.231 53.272 52.037 0.007 0.000 0.620 120 A CB -0.670 18.251 19.000 -0.133 0.000 0.819 120 A HN 0.362 nan 8.150 nan 0.000 0.442 121 L N -0.591 120.735 121.223 0.171 0.000 2.141 121 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 121 L C 1.960 178.908 176.870 0.130 0.000 1.094 121 L CA 1.264 56.212 54.840 0.181 0.000 0.763 121 L CB -0.514 41.665 42.059 0.200 0.000 0.908 121 L HN 0.312 nan 8.230 nan 0.000 0.437 122 D N -1.341 119.132 120.400 0.122 0.000 2.103 122 D HA -0.202 4.438 4.640 -0.000 0.000 0.199 122 D C 2.056 178.417 176.300 0.102 0.000 0.978 122 D CA 0.984 55.042 54.000 0.097 0.000 0.829 122 D CB -0.248 40.606 40.800 0.090 0.000 0.981 122 D HN 0.293 nan 8.370 nan 0.000 0.464 123 H N 0.549 119.638 119.070 0.031 0.000 2.387 123 H HA -0.095 4.461 4.556 -0.000 0.000 0.299 123 H C 2.193 177.533 175.328 0.020 0.000 1.099 123 H CA 1.094 57.152 56.048 0.017 0.000 1.315 123 H CB -0.103 29.657 29.762 -0.004 0.000 1.380 123 H HN 0.142 nan 8.280 nan 0.000 0.513 124 I N 0.580 121.219 120.570 0.116 0.000 2.163 124 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 124 I C 3.056 179.204 176.117 0.053 0.000 1.081 124 I CA 1.066 62.409 61.300 0.071 0.000 1.353 124 I CB -0.440 37.637 38.000 0.128 0.000 1.054 124 I HN 0.228 nan 8.210 nan 0.000 0.407 125 A N 0.487 123.353 122.820 0.077 0.000 1.883 125 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 125 A C 2.396 180.018 177.584 0.063 0.000 1.186 125 A CA 1.782 53.867 52.037 0.080 0.000 0.624 125 A CB -0.593 18.454 19.000 0.079 0.000 0.822 125 A HN 0.263 nan 8.150 nan 0.000 0.444 126 K N -0.320 120.090 120.400 0.017 0.000 2.020 126 K HA -0.200 4.120 4.320 -0.000 0.000 0.212 126 K C 1.994 178.585 176.600 -0.014 0.000 1.050 126 K CA 1.730 58.013 56.287 -0.006 0.000 0.929 126 K CB -0.235 32.232 32.500 -0.054 0.000 0.714 126 K HN 0.291 nan 8.250 nan 0.000 0.443 127 K N 0.292 120.644 120.400 -0.081 0.000 2.097 127 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 127 K C 2.220 178.844 176.600 0.040 0.000 1.049 127 K CA 1.194 57.444 56.287 -0.061 0.000 0.933 127 K CB -0.170 32.244 32.500 -0.143 0.000 0.717 127 K HN 0.283 nan 8.250 nan 0.000 0.442 128 M N 0.410 120.047 119.600 0.061 0.000 2.175 128 M HA -0.135 4.345 4.480 -0.000 0.000 0.264 128 M C 2.175 178.656 176.300 0.302 0.000 1.063 128 M CA 1.329 56.696 55.300 0.111 0.000 1.119 128 M CB -0.280 32.303 32.600 -0.028 0.000 1.377 128 M HN 0.041 nan 8.290 nan 0.000 0.415 129 L N -0.354 121.024 121.223 0.258 0.000 2.109 129 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 129 L C 2.212 179.199 176.870 0.195 0.000 1.086 129 L CA 1.160 56.164 54.840 0.273 0.000 0.760 129 L CB -0.529 41.639 42.059 0.181 0.000 0.910 129 L HN 0.324 nan 8.230 nan 0.000 0.437 130 E N 0.351 120.639 120.200 0.146 0.000 2.106 130 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 130 E C 2.260 178.968 176.600 0.180 0.000 0.984 130 E CA 1.101 57.573 56.400 0.119 0.000 0.806 130 E CB -0.070 29.682 29.700 0.086 0.000 0.750 130 E HN 0.460 nan 8.360 nan 0.000 0.458 131 I N 0.744 121.461 120.570 0.245 0.000 2.286 131 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 131 I C 2.605 178.955 176.117 0.389 0.000 1.115 131 I CA 0.919 62.439 61.300 0.366 0.000 1.392 131 I CB -0.108 38.056 38.000 0.273 0.000 1.065 131 I HN -0.016 nan 8.210 nan 0.000 0.418 132 R N 0.516 121.212 120.500 0.328 0.000 2.236 132 R HA -0.095 4.245 4.340 -0.000 0.000 0.208 132 R C 1.596 177.949 176.300 0.088 0.000 1.036 132 R CA 0.846 57.085 56.100 0.231 0.000 1.001 132 R CB 0.209 30.639 30.300 0.217 0.000 0.896 132 R HN 0.285 nan 8.270 nan 0.000 0.464 133 E N 0.486 120.732 120.200 0.077 0.000 2.216 133 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 133 E C 1.331 177.898 176.600 -0.055 0.000 0.973 133 E CA 0.851 57.250 56.400 -0.002 0.000 0.851 133 E CB 0.185 29.884 29.700 -0.001 0.000 0.804 133 E HN 0.440 nan 8.360 nan 0.000 0.477 134 K N -0.882 119.462 120.400 -0.093 0.000 2.353 134 K HA 0.113 4.433 4.320 -0.000 0.000 0.195 134 K C 0.734 177.089 176.600 -0.408 0.000 1.031 134 K CA 0.289 56.405 56.287 -0.285 0.000 1.079 134 K CB 0.258 32.517 32.500 -0.402 0.000 0.857 134 K HN 0.106 nan 8.250 nan 0.000 0.535 135 Y N 0.868 121.195 120.300 0.045 0.000 2.441 135 Y HA 0.274 4.824 4.550 -0.000 0.000 0.266 135 Y C 0.884 176.807 175.900 0.039 0.000 1.093 135 Y CA 0.127 58.265 58.100 0.062 0.000 1.246 135 Y CB 1.579 40.105 38.460 0.110 0.000 1.262 135 Y HN 0.275 nan 8.280 nan 0.000 0.518 136 G N 0.989 109.887 108.800 0.163 0.000 2.555 136 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.686 136 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.686 136 G C -2.509 172.463 174.900 0.121 0.000 1.275 136 G CA -0.534 44.596 45.100 0.050 0.000 0.871 136 G HN -0.096 nan 8.290 nan 0.000 0.603 137 P HA 0.102 nan 4.420 nan 0.000 0.236 137 P C 0.941 178.531 177.300 0.482 0.000 1.177 137 P CA 1.083 64.280 63.100 0.161 0.000 0.773 137 P CB 0.124 31.409 31.700 -0.691 0.000 0.878 138 E N 0.220 120.573 120.200 0.256 0.000 2.511 138 E HA 0.081 4.431 4.350 -0.000 0.000 0.196 138 E C 1.720 178.551 176.600 0.386 0.000 1.066 138 E CA 0.508 57.082 56.400 0.290 0.000 0.871 138 E CB -0.598 29.156 29.700 0.091 0.000 0.863 138 E HN 0.201 nan 8.360 nan 0.000 0.520 139 A N 0.855 123.881 122.820 0.343 0.000 2.302 139 A HA 0.164 4.484 4.320 -0.000 0.000 0.219 139 A C 0.419 178.095 177.584 0.153 0.000 1.243 139 A CA 0.031 52.215 52.037 0.244 0.000 0.856 139 A CB -0.127 18.965 19.000 0.154 0.000 0.893 139 A HN 0.123 nan 8.150 nan 0.000 0.491 140 I N 0.822 121.528 120.570 0.226 0.000 2.410 140 I HA 0.449 4.619 4.170 -0.000 0.000 0.286 140 I C 0.184 176.239 176.117 -0.104 0.000 1.009 140 I CA -0.497 60.793 61.300 -0.016 0.000 1.111 140 I CB 1.679 39.625 38.000 -0.090 0.000 1.262 140 I HN 0.162 nan 8.210 nan 0.000 0.443 141 A N 6.688 129.348 122.820 -0.267 0.000 2.310 141 A HA 0.772 5.092 4.320 -0.000 0.000 0.299 141 A C -1.061 176.232 177.584 -0.485 0.000 1.147 141 A CA -0.147 51.757 52.037 -0.222 0.000 0.818 141 A CB 0.299 19.081 19.000 -0.362 0.000 1.096 141 A HN 0.560 nan 8.150 nan 0.000 0.495 142 F N 1.904 121.893 119.950 0.065 0.000 2.434 142 F HA 0.437 4.964 4.527 -0.000 0.000 0.355 142 F C -0.426 175.600 175.800 0.377 0.000 1.115 142 F CA -0.161 57.938 58.000 0.166 0.000 1.010 142 F CB 1.205 40.262 39.000 0.094 0.000 1.234 142 F HN 0.470 nan 8.300 nan 0.000 0.439 143 F N 1.508 121.631 119.950 0.288 0.000 2.450 143 F HA 0.825 5.352 4.527 -0.000 0.000 0.332 143 F C 0.683 176.635 175.800 0.254 0.000 1.093 143 F CA -0.958 57.156 58.000 0.191 0.000 1.003 143 F CB 2.186 41.236 39.000 0.084 0.000 1.151 143 F HN 0.559 nan 8.300 nan 0.000 0.474 144 G N 1.226 110.252 108.800 0.376 0.000 2.523 144 G HA2 0.452 4.412 3.960 -0.000 0.000 0.291 144 G HA3 0.452 4.412 3.960 -0.000 0.000 0.291 144 G C -2.566 172.526 174.900 0.320 0.000 1.450 144 G CA -0.543 44.812 45.100 0.426 0.000 0.790 144 G HN 0.775 nan 8.290 nan 0.000 0.496 145 H N -1.625 117.600 119.070 0.258 0.000 3.014 145 H HA 0.555 5.111 4.556 -0.000 0.000 0.337 145 H C 0.207 175.624 175.328 0.149 0.000 1.320 145 H CA 0.083 56.164 56.048 0.055 0.000 1.128 145 H CB 2.337 32.092 29.762 -0.012 0.000 1.862 145 H HN 2.049 nan 8.280 nan 0.000 0.536 146 G N 0.212 108.931 108.800 -0.135 0.000 2.712 146 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.683 146 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.683 146 G C 0.754 175.806 174.900 0.252 0.000 1.320 146 G CA -0.051 45.134 45.100 0.142 0.000 0.847 146 G HN 0.613 nan 8.290 nan 0.000 0.553 147 T N 0.581 115.311 114.554 0.292 0.000 2.624 147 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 147 T C 2.517 177.419 174.700 0.338 0.000 1.041 147 T CA 2.845 65.107 62.100 0.269 0.000 1.159 147 T CB -0.690 68.335 68.868 0.261 0.000 0.863 147 T HN 1.790 nan 8.240 nan 0.000 0.434 148 G N 2.093 111.195 108.800 0.504 0.000 2.916 148 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.205 148 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.205 148 G C 0.964 176.023 174.900 0.266 0.000 1.163 148 G CA 0.698 46.103 45.100 0.508 0.000 0.821 148 G HN 0.676 nan 8.290 nan 0.000 0.515 149 D N -0.602 120.010 120.400 0.354 0.000 2.347 149 D HA -0.136 4.503 4.640 -0.000 0.000 0.215 149 D C 1.661 178.058 176.300 0.161 0.000 0.976 149 D CA -0.145 54.041 54.000 0.311 0.000 0.884 149 D CB -0.432 40.584 40.800 0.360 0.000 0.915 149 D HN 0.349 nan 8.370 nan 0.000 0.526 150 Y N 0.540 120.812 120.300 -0.047 0.000 2.128 150 Y HA -0.167 4.382 4.550 -0.000 0.000 0.284 150 Y C 1.586 177.307 175.900 -0.299 0.000 1.154 150 Y CA 1.604 59.550 58.100 -0.258 0.000 1.149 150 Y CB -0.647 37.493 38.460 -0.534 0.000 0.976 150 Y HN -0.042 nan 8.280 nan 0.000 0.505 151 W N -1.150 120.029 121.300 -0.202 0.000 2.407 151 W HA -0.072 4.588 4.660 -0.000 0.000 0.305 151 W C 2.174 178.344 176.519 -0.581 0.000 1.196 151 W CA 1.063 58.126 57.345 -0.469 0.000 1.311 151 W CB -0.872 28.307 29.460 -0.469 0.000 1.135 151 W HN -0.009 nan 8.180 nan 0.000 0.514 152 F N -0.946 119.000 119.950 -0.007 0.000 2.149 152 F HA -0.097 4.430 4.527 -0.000 0.000 0.294 152 F C 2.140 177.931 175.800 -0.015 0.000 1.095 152 F CA 1.041 59.025 58.000 -0.026 0.000 1.276 152 F CB -1.054 37.920 39.000 -0.044 0.000 1.023 152 F HN -0.364 nan 8.300 nan 0.000 0.480 153 V N -0.769 119.250 119.914 0.175 0.000 2.825 153 V HA -0.106 4.014 4.120 -0.000 0.000 0.246 153 V C 1.456 177.561 176.094 0.019 0.000 1.068 153 V CA 1.460 63.849 62.300 0.147 0.000 1.088 153 V CB -0.219 31.735 31.823 0.217 0.000 0.733 153 V HN 0.203 nan 8.190 nan 0.000 0.468 154 D N -1.163 119.209 120.400 -0.047 0.000 2.269 154 D HA 0.013 4.653 4.640 -0.000 0.000 0.220 154 D C 1.695 177.894 176.300 -0.168 0.000 0.962 154 D CA 0.893 54.852 54.000 -0.069 0.000 0.884 154 D CB 0.171 40.981 40.800 0.017 0.000 1.023 154 D HN 0.383 nan 8.370 nan 0.000 0.484 155 F N 0.787 120.414 119.950 -0.538 0.000 2.204 155 F HA 0.031 4.558 4.527 -0.000 0.000 0.276 155 F C 2.036 177.606 175.800 -0.383 0.000 1.085 155 F CA 0.118 57.790 58.000 -0.546 0.000 1.160 155 F CB -0.475 37.993 39.000 -0.887 0.000 1.091 155 F HN -0.239 nan 8.300 nan 0.000 0.522 156 L N 1.451 122.583 121.223 -0.151 0.000 2.034 156 L HA -0.194 4.146 4.340 -0.000 0.000 0.217 156 L C -0.816 175.715 176.870 -0.564 0.000 1.077 156 L CA 2.482 57.137 54.840 -0.309 0.000 0.769 156 L CB -2.141 39.674 42.059 -0.408 0.000 0.890 156 L HN 0.077 nan 8.230 nan 0.000 0.435 157 P HA -0.110 nan 4.420 nan 0.000 0.217 157 P C 1.502 178.617 177.300 -0.308 0.000 1.150 157 P CA 1.957 64.591 63.100 -0.776 0.000 0.832 157 P CB -0.109 31.261 31.700 -0.551 0.000 0.787 158 A N -0.058 122.570 122.820 -0.319 0.000 1.929 158 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 158 A C 2.284 179.635 177.584 -0.388 0.000 1.176 158 A CA 1.657 53.530 52.037 -0.274 0.000 0.628 158 A CB -1.500 17.338 19.000 -0.269 0.000 0.816 158 A HN 0.170 nan 8.150 nan 0.000 0.444 159 A N -1.413 121.038 122.820 -0.614 0.000 2.067 159 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 159 A C 1.979 179.380 177.584 -0.305 0.000 1.158 159 A CA 1.290 52.850 52.037 -0.794 0.000 0.661 159 A CB -0.655 17.692 19.000 -1.088 0.000 0.801 159 A HN 0.921 nan 8.150 nan 0.000 0.452 160 W N -0.178 120.903 121.300 -0.365 0.000 2.812 160 W HA 0.257 4.917 4.660 -0.000 0.000 0.263 160 W C 0.847 177.295 176.519 -0.118 0.000 1.284 160 W CA 1.209 58.437 57.345 -0.195 0.000 1.430 160 W CB 0.026 29.369 29.460 -0.196 0.000 1.088 160 W HN 0.681 nan 8.180 nan 0.000 0.623 161 G N 1.736 110.478 108.800 -0.097 0.000 2.135 161 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.183 161 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.183 161 G C -0.326 174.592 174.900 0.031 0.000 1.004 161 G CA 0.226 45.245 45.100 -0.136 0.000 0.677 161 G HN 0.351 nan 8.290 nan 0.000 0.512 162 S N 0.648 116.499 115.700 0.251 0.000 2.449 162 S HA 0.729 5.199 4.470 -0.000 0.000 0.310 162 S C -0.913 173.820 174.600 0.222 0.000 1.096 162 S CA -0.973 57.432 58.200 0.342 0.000 1.095 162 S CB 1.919 65.520 63.200 0.668 0.000 1.007 162 S HN 0.073 nan 8.310 nan 0.000 0.474 163 P HA 0.121 nan 4.420 nan 0.000 0.251 163 P C -0.292 177.151 177.300 0.239 0.000 1.223 163 P CA 0.107 63.304 63.100 0.162 0.000 0.796 163 P CB -0.012 31.737 31.700 0.082 0.000 1.068 164 N N 1.145 120.025 118.700 0.300 0.000 3.303 164 N HA 0.273 5.013 4.740 -0.000 0.000 0.304 164 N C -0.105 175.643 175.510 0.397 0.000 1.302 164 N CA 0.133 53.382 53.050 0.331 0.000 1.213 164 N CB 0.198 38.873 38.487 0.314 0.000 1.481 164 N HN 0.116 nan 8.380 nan 0.000 0.546 165 A N 0.380 123.406 122.820 0.344 0.000 2.331 165 A HA 0.868 5.188 4.320 -0.000 0.000 0.320 165 A C -0.446 177.299 177.584 0.268 0.000 1.138 165 A CA -0.579 51.670 52.037 0.354 0.000 0.790 165 A CB 1.323 20.463 19.000 0.234 0.000 1.206 165 A HN 0.339 nan 8.150 nan 0.000 0.470 166 A N 2.492 125.482 122.820 0.283 0.000 2.606 166 A HA 0.831 5.151 4.320 -0.000 0.000 0.293 166 A C -1.081 176.480 177.584 -0.039 0.000 1.082 166 A CA -0.821 51.255 52.037 0.065 0.000 0.685 166 A CB 1.405 20.357 19.000 -0.080 0.000 1.284 166 A HN 0.845 nan 8.150 nan 0.000 0.408 167 K N 1.190 121.491 120.400 -0.165 0.000 2.422 167 K HA 0.532 4.852 4.320 -0.000 0.000 0.251 167 K C -2.599 173.757 176.600 -0.406 0.000 0.933 167 K CA -1.869 54.227 56.287 -0.318 0.000 0.798 167 K CB 2.622 34.920 32.500 -0.337 0.000 1.238 167 K HN 0.274 nan 8.250 nan 0.000 0.428 168 P HA -0.148 nan 4.420 nan 0.000 0.226 168 P C 0.696 177.821 177.300 -0.292 0.000 1.153 168 P CA 0.976 63.835 63.100 -0.401 0.000 0.777 168 P CB 0.066 31.545 31.700 -0.368 0.000 0.794 169 S N -1.932 113.570 115.700 -0.331 0.000 2.720 169 S HA 0.091 4.561 4.470 -0.000 0.000 0.222 169 S C 1.480 176.048 174.600 -0.054 0.000 0.958 169 S CA -0.038 58.143 58.200 -0.032 0.000 0.943 169 S CB -0.696 62.619 63.200 0.191 0.000 0.779 169 S HN -0.025 nan 8.310 nan 0.000 0.526 170 V N 1.153 120.984 119.914 -0.139 0.000 2.996 170 V HA 0.131 4.251 4.120 -0.000 0.000 0.235 170 V C 2.124 178.106 176.094 -0.186 0.000 1.205 170 V CA 1.167 63.388 62.300 -0.132 0.000 1.225 170 V CB 0.532 32.284 31.823 -0.118 0.000 0.995 170 V HN 0.674 nan 8.190 nan 0.000 0.484 171 S N -1.374 114.188 115.700 -0.231 0.000 2.539 171 S HA 0.316 4.786 4.470 -0.000 0.000 0.221 171 S C 0.958 175.386 174.600 -0.286 0.000 0.987 171 S CA 0.023 58.051 58.200 -0.287 0.000 0.929 171 S CB 0.357 63.362 63.200 -0.325 0.000 0.832 171 S HN 0.368 nan 8.310 nan 0.000 0.492 172 L N 0.444 121.523 121.223 -0.241 0.000 3.014 172 L HA 0.482 4.822 4.340 -0.000 0.000 0.263 172 L C 0.838 177.642 176.870 -0.109 0.000 1.207 172 L CA -0.143 54.577 54.840 -0.199 0.000 1.017 172 L CB 0.987 42.921 42.059 -0.209 0.000 1.360 172 L HN 0.601 nan 8.230 nan 0.000 0.560 173 C N -2.580 116.633 119.300 -0.144 0.000 3.251 173 C HA 0.092 4.552 4.460 -0.000 0.000 0.224 173 C C 2.062 176.968 174.990 -0.140 0.000 2.525 173 C CA 0.519 59.496 59.018 -0.069 0.000 1.189 173 C CB 0.967 28.779 27.740 0.119 0.000 1.338 173 C HN 0.260 nan 8.230 nan 0.000 0.697 174 T N 0.649 115.156 114.554 -0.078 0.000 3.044 174 T HA 0.302 4.652 4.350 -0.000 0.000 0.250 174 T C 1.597 176.218 174.700 -0.132 0.000 1.081 174 T CA 1.205 63.261 62.100 -0.072 0.000 1.040 174 T CB -0.184 68.694 68.868 0.017 0.000 0.962 174 T HN 0.633 nan 8.240 nan 0.000 0.506 175 A N 2.713 125.431 122.820 -0.170 0.000 1.903 175 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 175 A C -0.068 177.369 177.584 -0.245 0.000 1.191 175 A CA 1.608 53.525 52.037 -0.200 0.000 0.638 175 A CB -1.607 17.245 19.000 -0.246 0.000 0.823 175 A HN 0.368 nan 8.150 nan 0.000 0.451 176 P HA -0.196 nan 4.420 nan 0.000 0.215 176 P C 1.534 178.650 177.300 -0.305 0.000 1.153 176 P CA 1.938 64.843 63.100 -0.324 0.000 0.853 176 P CB -0.179 31.313 31.700 -0.347 0.000 0.788 177 R N -0.876 119.479 120.500 -0.242 0.000 2.161 177 R HA 0.053 4.393 4.340 -0.000 0.000 0.213 177 R C 1.753 177.967 176.300 -0.144 0.000 1.055 177 R CA 0.972 56.962 56.100 -0.183 0.000 0.996 177 R CB -0.917 29.308 30.300 -0.125 0.000 0.901 177 R HN 0.016 nan 8.270 nan 0.000 0.456 178 E N 1.128 121.245 120.200 -0.139 0.000 2.107 178 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 178 E C 2.139 178.649 176.600 -0.150 0.000 0.982 178 E CA 1.063 57.406 56.400 -0.095 0.000 0.809 178 E CB -0.142 29.518 29.700 -0.066 0.000 0.756 178 E HN 0.216 nan 8.360 nan 0.000 0.459 179 V N 1.739 121.492 119.914 -0.269 0.000 2.270 179 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 179 V C 2.475 178.169 176.094 -0.667 0.000 1.043 179 V CA 1.817 63.834 62.300 -0.472 0.000 1.014 179 V CB -1.027 30.452 31.823 -0.573 0.000 0.645 179 V HN 0.237 nan 8.190 nan 0.000 0.447 180 A N -0.493 121.989 122.820 -0.563 0.000 1.903 180 A HA -0.318 4.002 4.320 -0.000 0.000 0.219 180 A C 2.568 180.035 177.584 -0.196 0.000 1.191 180 A CA 2.715 54.492 52.037 -0.433 0.000 0.638 180 A CB -1.020 17.790 19.000 -0.317 0.000 0.823 180 A HN 0.486 nan 8.150 nan 0.000 0.451 181 S N -1.552 114.092 115.700 -0.093 0.000 2.383 181 S HA -0.172 4.297 4.470 -0.000 0.000 0.227 181 S C 2.208 176.876 174.600 0.113 0.000 1.026 181 S CA 1.457 59.708 58.200 0.086 0.000 0.981 181 S CB -0.362 62.900 63.200 0.102 0.000 0.818 181 S HN 0.569 nan 8.310 nan 0.000 0.472 182 Q N -0.303 119.526 119.800 0.048 0.000 2.084 182 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 182 Q C 1.822 177.962 176.000 0.233 0.000 0.978 182 Q CA 1.207 57.089 55.803 0.132 0.000 0.844 182 Q CB -0.408 28.398 28.738 0.113 0.000 0.898 182 Q HN 0.692 nan 8.270 nan 0.000 0.426 183 W N -0.195 121.034 121.300 -0.119 0.000 2.409 183 W HA -0.045 4.615 4.660 -0.000 0.000 0.299 183 W C 2.238 178.733 176.519 -0.040 0.000 1.203 183 W CA 0.222 57.481 57.345 -0.144 0.000 1.298 183 W CB -0.982 28.343 29.460 -0.225 0.000 1.127 183 W HN -0.101 nan 8.180 nan 0.000 0.528 184 V N -1.384 118.600 119.914 0.115 0.000 2.446 184 V HA -0.050 4.069 4.120 -0.000 0.000 0.244 184 V C 0.685 176.545 176.094 -0.390 0.000 1.039 184 V CA 1.168 63.361 62.300 -0.178 0.000 1.045 184 V CB -0.686 30.895 31.823 -0.404 0.000 0.681 184 V HN -0.224 nan 8.190 nan 0.000 0.459 185 F N -1.041 118.914 119.950 0.009 0.000 2.613 185 F HA 0.640 5.167 4.527 -0.000 0.000 0.342 185 F C 1.293 177.124 175.800 0.051 0.000 1.066 185 F CA -0.197 57.744 58.000 -0.099 0.000 1.002 185 F CB 1.222 39.992 39.000 -0.383 0.000 1.319 185 F HN -0.112 nan 8.300 nan 0.000 0.495 186 G N 0.154 109.124 108.800 0.283 0.000 3.233 186 G HA2 0.226 4.186 3.960 -0.000 0.000 0.227 186 G HA3 0.226 4.186 3.960 -0.000 0.000 0.227 186 G C 0.050 175.045 174.900 0.159 0.000 1.175 186 G CA -0.238 45.008 45.100 0.245 0.000 0.781 186 G HN 0.405 nan 8.290 nan 0.000 0.542 187 R N -0.161 120.427 120.500 0.147 0.000 2.919 187 R HA 0.521 4.861 4.340 -0.000 0.000 0.260 187 R C -2.855 173.498 176.300 0.089 0.000 1.067 187 R CA -2.113 54.041 56.100 0.090 0.000 1.003 187 R CB 1.131 31.451 30.300 0.033 0.000 1.192 187 R HN -0.117 nan 8.270 nan 0.000 0.488 188 P HA 0.190 nan 4.420 nan 0.000 0.279 188 P C 0.160 177.489 177.300 0.048 0.000 1.282 188 P CA -0.313 62.818 63.100 0.053 0.000 0.788 188 P CB 0.909 32.637 31.700 0.045 0.000 1.139 189 I N -1.367 119.236 120.570 0.054 0.000 2.810 189 I HA 0.219 4.389 4.170 -0.000 0.000 0.262 189 I C 1.239 177.401 176.117 0.075 0.000 1.131 189 I CA 1.511 62.853 61.300 0.071 0.000 1.453 189 I CB -0.368 37.691 38.000 0.099 0.000 1.161 189 I HN 0.671 nan 8.210 nan 0.000 0.444 190 G N -0.386 108.458 108.800 0.073 0.000 2.655 190 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.680 190 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.680 190 G C 0.517 175.474 174.900 0.095 0.000 1.302 190 G CA -0.427 44.715 45.100 0.070 0.000 0.872 190 G HN 0.340 nan 8.290 nan 0.000 0.540 191 G N -1.464 107.373 108.800 0.062 0.000 2.464 191 G HA2 0.136 4.096 3.960 -0.000 0.000 0.217 191 G HA3 0.136 4.096 3.960 -0.000 0.000 0.217 191 G C 0.808 175.672 174.900 -0.060 0.000 1.138 191 G CA 1.293 46.421 45.100 0.047 0.000 0.793 191 G HN 0.946 nan 8.290 nan 0.000 0.539 192 H N 1.861 120.829 119.070 -0.170 0.000 2.410 192 H HA 0.190 4.746 4.556 -0.000 0.000 0.232 192 H C -0.152 175.238 175.328 0.105 0.000 1.535 192 H CA -0.509 55.392 56.048 -0.246 0.000 1.310 192 H CB -0.200 29.422 29.762 -0.232 0.000 1.518 192 H HN 0.331 nan 8.280 nan 0.000 0.545 193 E N 3.193 123.573 120.200 0.299 0.000 2.820 193 E HA -0.053 4.297 4.350 -0.000 0.000 0.251 193 E C -2.196 174.518 176.600 0.190 0.000 0.944 193 E CA -1.299 55.254 56.400 0.255 0.000 0.955 193 E CB 0.485 30.355 29.700 0.284 0.000 0.904 193 E HN 0.391 nan 8.360 nan 0.000 0.513 194 P HA 0.112 nan 4.420 nan 0.000 0.238 194 P C -0.495 176.243 177.300 -0.936 0.000 1.714 194 P CA -0.113 62.587 63.100 -0.668 0.000 0.908 194 P CB -0.426 30.925 31.700 -0.582 0.000 1.893 195 I N 0.896 121.106 120.570 -0.599 0.000 2.365 195 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 195 I C 0.953 176.800 176.117 -0.451 0.000 1.004 195 I CA -0.195 60.623 61.300 -0.803 0.000 1.311 195 I CB 0.647 37.905 38.000 -1.236 0.000 1.401 195 I HN -0.157 nan 8.210 nan 0.000 0.491 196 D N 5.348 125.571 120.400 -0.296 0.000 2.619 196 D HA 0.098 4.738 4.640 -0.000 0.000 0.224 196 D C 0.597 176.949 176.300 0.086 0.000 1.133 196 D CA -0.098 53.982 54.000 0.132 0.000 1.017 196 D CB 0.108 41.072 40.800 0.272 0.000 1.077 196 D HN 0.402 nan 8.370 nan 0.000 0.503 197 W N 1.272 122.640 121.300 0.112 0.000 2.374 197 W HA -0.109 4.551 4.660 -0.000 0.000 0.288 197 W C 2.163 178.728 176.519 0.077 0.000 1.218 197 W CA 1.033 58.427 57.345 0.082 0.000 1.245 197 W CB -0.221 29.306 29.460 0.111 0.000 1.126 197 W HN 0.473 nan 8.180 nan 0.000 0.545 198 E N -0.401 120.006 120.200 0.346 0.000 2.268 198 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 198 E C 1.324 178.017 176.600 0.154 0.000 0.995 198 E CA 1.168 57.701 56.400 0.222 0.000 0.836 198 E CB -0.488 29.332 29.700 0.201 0.000 0.763 198 E HN 0.256 nan 8.360 nan 0.000 0.491 199 N N 0.670 119.460 118.700 0.149 0.000 2.205 199 N HA 0.169 4.909 4.740 -0.000 0.000 0.201 199 N C -0.097 175.452 175.510 0.065 0.000 1.128 199 N CA 0.481 53.585 53.050 0.089 0.000 0.867 199 N CB 0.805 39.333 38.487 0.068 0.000 0.996 199 N HN 0.195 nan 8.380 nan 0.000 0.503 200 A N 0.911 123.774 122.820 0.072 0.000 2.483 200 A HA 0.210 4.530 4.320 -0.000 0.000 0.238 200 A C 1.173 178.773 177.584 0.028 0.000 1.070 200 A CA 0.203 52.259 52.037 0.032 0.000 0.770 200 A CB 0.634 19.642 19.000 0.013 0.000 1.008 200 A HN 0.064 nan 8.150 nan 0.000 0.497 201 R N -0.467 120.031 120.500 -0.005 0.000 2.453 201 R HA 0.153 4.493 4.340 -0.000 0.000 0.233 201 R C -1.274 174.908 176.300 -0.196 0.000 0.895 201 R CA 0.497 56.553 56.100 -0.073 0.000 1.028 201 R CB 0.452 30.740 30.300 -0.021 0.000 1.255 201 R HN 0.763 nan 8.270 nan 0.000 0.571 202 Y N 0.174 120.300 120.300 -0.289 0.000 2.348 202 Y HA 0.445 4.995 4.550 -0.000 0.000 0.321 202 Y C -1.494 174.339 175.900 -0.111 0.000 1.163 202 Y CA -0.781 57.149 58.100 -0.282 0.000 1.070 202 Y CB 1.260 39.477 38.460 -0.405 0.000 1.250 202 Y HN -0.175 nan 8.280 nan 0.000 0.425 203 I N 6.875 127.303 120.570 -0.237 0.000 2.466 203 I HA 0.504 4.674 4.170 -0.000 0.000 0.289 203 I C -1.167 174.892 176.117 -0.098 0.000 1.026 203 I CA -1.183 60.071 61.300 -0.076 0.000 1.078 203 I CB 1.985 40.038 38.000 0.089 0.000 1.249 203 I HN 0.292 nan 8.210 nan 0.000 0.429 204 V N 7.229 127.148 119.914 0.010 0.000 2.357 204 V HA 0.402 4.522 4.120 -0.000 0.000 0.284 204 V C -0.051 176.144 176.094 0.168 0.000 1.018 204 V CA -0.510 61.843 62.300 0.088 0.000 0.841 204 V CB 1.541 33.450 31.823 0.145 0.000 0.991 204 V HN 0.467 nan 8.190 nan 0.000 0.437 205 L N 6.174 127.504 121.223 0.178 0.000 2.257 205 L HA 0.560 4.900 4.340 -0.000 0.000 0.290 205 L C -0.322 176.715 176.870 0.278 0.000 1.044 205 L CA -0.269 54.697 54.840 0.211 0.000 0.810 205 L CB 1.340 43.462 42.059 0.105 0.000 1.193 205 L HN 0.492 nan 8.230 nan 0.000 0.425 206 I N 3.733 124.505 120.570 0.335 0.000 2.347 206 I HA 0.231 4.401 4.170 -0.000 0.000 0.283 206 I C 1.143 177.522 176.117 0.437 0.000 1.058 206 I CA -0.001 61.513 61.300 0.357 0.000 1.202 206 I CB 1.013 39.213 38.000 0.334 0.000 1.386 206 I HN 0.968 nan 8.210 nan 0.000 0.475 207 G N 3.971 112.964 108.800 0.322 0.000 2.189 207 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.267 207 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.267 207 G C 0.534 175.553 174.900 0.198 0.000 0.975 207 G CA -0.055 45.162 45.100 0.194 0.000 0.644 207 G HN 0.695 nan 8.290 nan 0.000 0.537 208 H N 2.015 121.188 119.070 0.172 0.000 3.289 208 H HA 0.271 4.827 4.556 -0.000 0.000 0.248 208 H C 1.023 176.408 175.328 0.096 0.000 1.175 208 H CA 0.245 56.384 56.048 0.152 0.000 1.496 208 H CB -0.850 29.000 29.762 0.148 0.000 1.571 208 H HN 0.742 nan 8.280 nan 0.000 0.495 209 H N 4.003 123.118 119.070 0.074 0.000 2.690 209 H HA 0.399 4.954 4.556 -0.000 0.000 0.289 209 H C -0.249 174.982 175.328 -0.162 0.000 1.089 209 H CA -0.821 55.168 56.048 -0.097 0.000 1.299 209 H CB 0.269 29.943 29.762 -0.147 0.000 1.405 209 H HN 0.329 nan 8.280 nan 0.000 0.463 210 I N 4.179 124.572 120.570 -0.296 0.000 2.315 210 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 210 I C 0.970 176.841 176.117 -0.410 0.000 1.006 210 I CA 0.422 61.422 61.300 -0.499 0.000 1.265 210 I CB 1.514 38.916 38.000 -0.997 0.000 1.387 210 I HN 1.140 nan 8.210 nan 0.000 0.475 211 G N 4.251 112.849 108.800 -0.338 0.000 2.352 211 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.204 211 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.204 211 G C 0.723 175.477 174.900 -0.243 0.000 1.004 211 G CA -0.045 44.920 45.100 -0.226 0.000 0.648 211 G HN 0.568 nan 8.290 nan 0.000 0.491 212 E N 0.298 120.289 120.200 -0.347 0.000 2.132 212 E HA 0.146 4.496 4.350 -0.000 0.000 0.193 212 E C 0.557 176.851 176.600 -0.510 0.000 0.951 212 E CA 0.340 56.512 56.400 -0.380 0.000 0.843 212 E CB 0.176 29.643 29.700 -0.389 0.000 0.807 212 E HN 0.387 nan 8.360 nan 0.000 0.467 213 D N 0.395 120.345 120.400 -0.750 0.000 2.339 213 D HA -0.016 4.624 4.640 -0.000 0.000 0.256 213 D C -0.330 175.685 176.300 -0.476 0.000 1.214 213 D CA 0.536 54.172 54.000 -0.607 0.000 0.877 213 D CB 1.271 41.782 40.800 -0.481 0.000 1.111 213 D HN -0.147 nan 8.370 nan 0.000 0.478 214 T N 3.271 117.550 114.554 -0.458 0.000 3.266 214 T HA 0.083 4.433 4.350 -0.000 0.000 0.278 214 T C -0.090 174.397 174.700 -0.356 0.000 1.010 214 T CA -0.364 61.521 62.100 -0.358 0.000 0.909 214 T CB -0.696 68.005 68.868 -0.279 0.000 1.122 214 T HN 0.469 nan 8.240 nan 0.000 0.536 215 H N 2.274 121.028 119.070 -0.527 0.000 3.192 215 H HA -0.043 4.513 4.556 -0.000 0.000 0.295 215 H C 1.628 176.452 175.328 -0.839 0.000 0.943 215 H CA -0.466 55.045 56.048 -0.894 0.000 1.416 215 H CB 0.607 29.525 29.762 -1.406 0.000 1.434 215 H HN 0.180 nan 8.280 nan 0.000 0.565 216 N N 2.603 120.976 118.700 -0.546 0.000 2.020 216 N HA -0.204 4.536 4.740 -0.000 0.000 0.200 216 N C 1.519 176.929 175.510 -0.166 0.000 1.054 216 N CA 2.547 55.451 53.050 -0.244 0.000 0.874 216 N CB -0.481 37.997 38.487 -0.015 0.000 1.075 216 N HN 0.622 nan 8.380 nan 0.000 0.446 217 T N 0.867 115.441 114.554 0.033 0.000 2.759 217 T HA -0.213 4.137 4.350 -0.000 0.000 0.269 217 T C 1.799 176.515 174.700 0.025 0.000 1.042 217 T CA 1.839 64.063 62.100 0.207 0.000 1.140 217 T CB -0.372 68.862 68.868 0.612 0.000 0.864 217 T HN 0.659 nan 8.240 nan 0.000 0.455 218 Q N 0.459 120.164 119.800 -0.158 0.000 2.297 218 Q HA 0.073 4.413 4.340 -0.000 0.000 0.204 218 Q C 2.191 177.940 176.000 -0.418 0.000 0.962 218 Q CA 0.603 56.217 55.803 -0.314 0.000 0.879 218 Q CB -0.440 28.164 28.738 -0.223 0.000 0.947 218 Q HN 0.321 nan 8.270 nan 0.000 0.462 219 L N 1.053 122.095 121.223 -0.301 0.000 2.005 219 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 219 L C 2.290 179.075 176.870 -0.142 0.000 1.072 219 L CA 1.948 56.662 54.840 -0.210 0.000 0.744 219 L CB -0.800 41.149 42.059 -0.184 0.000 0.895 219 L HN 0.286 nan 8.230 nan 0.000 0.433 220 Q N -0.501 119.230 119.800 -0.116 0.000 2.029 220 Q HA -0.270 4.070 4.340 -0.000 0.000 0.209 220 Q C 1.873 177.813 176.000 -0.100 0.000 0.999 220 Q CA 2.132 57.892 55.803 -0.071 0.000 0.857 220 Q CB -0.357 28.372 28.738 -0.015 0.000 0.926 220 Q HN 0.546 nan 8.270 nan 0.000 0.415 221 D N -0.030 120.273 120.400 -0.162 0.000 2.097 221 D HA -0.152 4.487 4.640 -0.000 0.000 0.195 221 D C 1.584 177.708 176.300 -0.293 0.000 0.989 221 D CA 0.816 54.692 54.000 -0.208 0.000 0.827 221 D CB -0.393 40.200 40.800 -0.345 0.000 0.966 221 D HN 0.130 nan 8.370 nan 0.000 0.456 222 F N 1.817 121.328 119.950 -0.730 0.000 2.095 222 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 222 F C 2.217 177.860 175.800 -0.262 0.000 1.104 222 F CA 1.575 59.212 58.000 -0.606 0.000 1.232 222 F CB -0.436 38.161 39.000 -0.672 0.000 0.987 222 F HN -0.055 nan 8.300 nan 0.000 0.475 223 A N 0.335 123.025 122.820 -0.218 0.000 1.933 223 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 223 A C 2.326 179.801 177.584 -0.182 0.000 1.175 223 A CA 1.723 53.622 52.037 -0.230 0.000 0.628 223 A CB -1.123 17.809 19.000 -0.113 0.000 0.814 223 A HN 0.501 nan 8.150 nan 0.000 0.444 224 L N -1.012 120.141 121.223 -0.117 0.000 2.109 224 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 224 L C 3.085 179.926 176.870 -0.050 0.000 1.086 224 L CA 0.831 55.638 54.840 -0.055 0.000 0.760 224 L CB -0.504 41.553 42.059 -0.004 0.000 0.910 224 L HN 0.441 nan 8.230 nan 0.000 0.437 225 A N 0.374 123.160 122.820 -0.057 0.000 1.858 225 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 225 A C 2.241 179.763 177.584 -0.105 0.000 1.190 225 A CA 1.430 53.455 52.037 -0.020 0.000 0.617 225 A CB -0.810 18.237 19.000 0.078 0.000 0.827 225 A HN 0.315 nan 8.150 nan 0.000 0.443 226 L N -0.817 120.258 121.223 -0.248 0.000 2.021 226 L HA -0.289 4.051 4.340 -0.000 0.000 0.215 226 L C 2.674 179.480 176.870 -0.107 0.000 1.074 226 L CA 2.167 56.873 54.840 -0.222 0.000 0.760 226 L CB -0.450 41.392 42.059 -0.361 0.000 0.889 226 L HN 0.444 nan 8.230 nan 0.000 0.433 227 K N 0.453 120.791 120.400 -0.103 0.000 2.063 227 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 227 K C 1.413 177.996 176.600 -0.029 0.000 1.048 227 K CA 1.569 57.822 56.287 -0.058 0.000 0.928 227 K CB -0.032 32.437 32.500 -0.052 0.000 0.713 227 K HN 0.261 nan 8.250 nan 0.000 0.442 228 N N -0.296 118.391 118.700 -0.022 0.000 2.370 228 N HA 0.108 4.848 4.740 -0.000 0.000 0.198 228 N C -0.022 175.485 175.510 -0.005 0.000 1.156 228 N CA 0.943 53.991 53.050 -0.004 0.000 0.839 228 N CB 0.882 39.375 38.487 0.011 0.000 0.989 228 N HN 0.401 nan 8.380 nan 0.000 0.468 229 G N -0.093 108.698 108.800 -0.015 0.000 2.255 229 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.239 229 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.239 229 G C -0.108 174.762 174.900 -0.051 0.000 1.083 229 G CA -0.053 45.036 45.100 -0.019 0.000 0.826 229 G HN 0.543 nan 8.290 nan 0.000 0.493 230 A N 0.545 123.332 122.820 -0.055 0.000 2.260 230 A HA 0.692 5.012 4.320 -0.000 0.000 0.312 230 A C 0.544 178.058 177.584 -0.117 0.000 1.321 230 A CA 0.201 52.191 52.037 -0.078 0.000 0.928 230 A CB 0.404 19.386 19.000 -0.031 0.000 1.158 230 A HN 1.099 nan 8.150 nan 0.000 0.542 231 K N 2.391 122.613 120.400 -0.297 0.000 2.211 231 K HA 0.567 4.887 4.320 -0.000 0.000 0.275 231 K C -1.348 175.089 176.600 -0.272 0.000 1.024 231 K CA -0.423 55.490 56.287 -0.624 0.000 0.887 231 K CB 1.336 33.163 32.500 -1.122 0.000 1.084 231 K HN 0.249 nan 8.250 nan 0.000 0.463 232 V N 4.282 124.307 119.914 0.184 0.000 2.384 232 V HA 0.251 4.371 4.120 -0.000 0.000 0.287 232 V C -0.423 175.708 176.094 0.060 0.000 1.020 232 V CA -0.994 61.353 62.300 0.078 0.000 0.850 232 V CB 1.451 33.395 31.823 0.202 0.000 0.987 232 V HN 0.622 nan 8.190 nan 0.000 0.436 233 V N 5.775 125.651 119.914 -0.062 0.000 2.394 233 V HA 0.463 4.583 4.120 -0.000 0.000 0.282 233 V C -0.053 176.131 176.094 0.150 0.000 1.031 233 V CA -0.478 61.854 62.300 0.053 0.000 0.881 233 V CB 1.813 33.648 31.823 0.019 0.000 0.982 233 V HN 0.620 nan 8.190 nan 0.000 0.451 234 V N 5.709 125.752 119.914 0.215 0.000 2.459 234 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 234 V C -0.257 176.048 176.094 0.352 0.000 1.029 234 V CA -0.557 61.887 62.300 0.239 0.000 0.874 234 V CB 2.125 34.032 31.823 0.140 0.000 0.985 234 V HN 0.612 nan 8.190 nan 0.000 0.438 235 V N 4.319 124.416 119.914 0.304 0.000 2.357 235 V HA 0.677 4.797 4.120 -0.000 0.000 0.284 235 V C -0.594 175.650 176.094 0.251 0.000 1.018 235 V CA -0.223 62.236 62.300 0.265 0.000 0.841 235 V CB 1.473 33.440 31.823 0.240 0.000 0.991 235 V HN 0.961 nan 8.190 nan 0.000 0.437 236 D N 5.677 126.246 120.400 0.281 0.000 2.747 236 D HA 0.229 4.869 4.640 -0.000 0.000 0.218 236 D C -2.561 173.930 176.300 0.318 0.000 1.230 236 D CA -0.797 53.344 54.000 0.236 0.000 0.774 236 D CB 3.365 44.292 40.800 0.211 0.000 1.667 236 D HN 0.217 nan 8.370 nan 0.000 0.499 237 P HA 0.041 nan 4.420 nan 0.000 0.242 237 P C 0.230 177.751 177.300 0.369 0.000 1.197 237 P CA 0.287 63.507 63.100 0.200 0.000 0.765 237 P CB 0.574 32.338 31.700 0.106 0.000 0.936 238 R N -0.068 120.625 120.500 0.322 0.000 2.534 238 R HA 0.340 4.680 4.340 -0.000 0.000 0.301 238 R C -1.118 175.203 176.300 0.034 0.000 0.961 238 R CA -1.048 55.166 56.100 0.190 0.000 0.871 238 R CB 0.903 31.074 30.300 -0.216 0.000 1.170 238 R HN -0.169 nan 8.270 nan 0.000 0.446 239 F N 4.835 124.546 119.950 -0.398 0.000 2.619 239 F HA 0.102 4.629 4.527 -0.000 0.000 0.350 239 F C 0.575 176.112 175.800 -0.439 0.000 1.259 239 F CA -0.011 57.379 58.000 -1.017 0.000 1.204 239 F CB -0.016 38.267 39.000 -1.195 0.000 1.556 239 F HN 0.505 nan 8.300 nan 0.000 0.650 240 S N 1.951 117.307 115.700 -0.572 0.000 2.625 240 S HA 0.112 4.582 4.470 -0.000 0.000 0.258 240 S C 1.421 175.770 174.600 -0.417 0.000 1.256 240 S CA 0.070 58.040 58.200 -0.384 0.000 0.983 240 S CB 0.762 63.780 63.200 -0.304 0.000 1.032 240 S HN 0.489 nan 8.310 nan 0.000 0.572 241 T N 1.268 115.681 114.554 -0.235 0.000 2.737 241 T HA 0.015 4.365 4.350 -0.000 0.000 0.265 241 T C 2.165 176.732 174.700 -0.220 0.000 1.038 241 T CA 1.505 63.492 62.100 -0.188 0.000 1.144 241 T CB -1.041 67.753 68.868 -0.123 0.000 0.866 241 T HN 0.773 nan 8.240 nan 0.000 0.434 242 A N 1.352 124.041 122.820 -0.219 0.000 1.972 242 A HA 0.191 4.511 4.320 -0.000 0.000 0.219 242 A C 2.592 180.058 177.584 -0.197 0.000 1.169 242 A CA 1.702 53.651 52.037 -0.146 0.000 0.635 242 A CB -0.957 17.895 19.000 -0.247 0.000 0.810 242 A HN 0.498 nan 8.150 nan 0.000 0.446 243 A N -0.191 122.357 122.820 -0.454 0.000 1.972 243 A HA 0.214 4.534 4.320 -0.000 0.000 0.219 243 A C 2.326 179.400 177.584 -0.851 0.000 1.169 243 A CA 1.676 53.278 52.037 -0.725 0.000 0.635 243 A CB -0.775 17.420 19.000 -1.342 0.000 0.810 243 A HN 1.061 nan 8.150 nan 0.000 0.446 244 A N -1.026 121.335 122.820 -0.764 0.000 2.172 244 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 244 A C 1.579 179.077 177.584 -0.143 0.000 1.154 244 A CA 1.307 53.127 52.037 -0.362 0.000 0.701 244 A CB -0.074 18.823 19.000 -0.173 0.000 0.789 244 A HN 0.267 nan 8.150 nan 0.000 0.465 245 K N -0.543 119.764 120.400 -0.155 0.000 2.387 245 K HA 0.422 4.742 4.320 -0.000 0.000 0.203 245 K C 0.271 176.748 176.600 -0.205 0.000 1.030 245 K CA 0.541 56.750 56.287 -0.130 0.000 1.099 245 K CB -0.009 32.458 32.500 -0.056 0.000 0.863 245 K HN 0.342 nan 8.250 nan 0.000 0.529 246 A N 0.849 123.565 122.820 -0.173 0.000 2.303 246 A HA 0.389 4.709 4.320 -0.000 0.000 0.317 246 A C 0.646 178.093 177.584 -0.228 0.000 1.149 246 A CA -0.453 51.500 52.037 -0.140 0.000 0.822 246 A CB 0.390 19.399 19.000 0.015 0.000 1.131 246 A HN 0.225 nan 8.150 nan 0.000 0.493 247 H N 1.241 120.340 119.070 0.050 0.000 2.403 247 H HA 0.028 4.584 4.556 -0.000 0.000 0.298 247 H C 0.029 175.432 175.328 0.126 0.000 1.059 247 H CA 1.056 57.147 56.048 0.072 0.000 1.363 247 H CB 0.273 30.058 29.762 0.038 0.000 1.410 247 H HN 0.564 nan 8.280 nan 0.000 0.528 248 R N -0.138 120.502 120.500 0.233 0.000 2.621 248 R HA 0.164 4.504 4.340 -0.000 0.000 0.292 248 R C -1.568 174.932 176.300 0.333 0.000 0.969 248 R CA -0.740 55.514 56.100 0.256 0.000 0.887 248 R CB 2.036 32.475 30.300 0.232 0.000 1.180 248 R HN 0.043 nan 8.270 nan 0.000 0.450 249 W N 5.869 127.269 121.300 0.167 0.000 2.361 249 W HA 0.389 5.049 4.660 -0.000 0.000 0.314 249 W C -1.486 175.133 176.519 0.166 0.000 1.041 249 W CA -1.217 56.234 57.345 0.177 0.000 1.241 249 W CB 0.826 30.468 29.460 0.303 0.000 1.279 249 W HN 0.451 nan 8.180 nan 0.000 0.436 250 L N 9.471 130.715 121.223 0.035 0.000 2.272 250 L HA 0.322 4.662 4.340 -0.000 0.000 0.284 250 L C -1.808 174.757 176.870 -0.509 0.000 1.045 250 L CA -1.896 52.828 54.840 -0.193 0.000 0.842 250 L CB 0.916 42.991 42.059 0.027 0.000 1.224 250 L HN 0.249 nan 8.230 nan 0.000 0.430 251 P HA 0.122 nan 4.420 nan 0.000 0.237 251 P C 0.339 177.456 177.300 -0.305 0.000 1.788 251 P CA -0.018 62.604 63.100 -0.797 0.000 1.061 251 P CB 0.072 31.083 31.700 -1.148 0.000 1.967 252 I N 1.620 122.093 120.570 -0.162 0.000 2.815 252 I HA -0.051 4.119 4.170 -0.000 0.000 0.291 252 I C 1.039 177.122 176.117 -0.057 0.000 1.209 252 I CA -0.156 61.084 61.300 -0.100 0.000 1.431 252 I CB 0.641 38.607 38.000 -0.058 0.000 1.351 252 I HN 0.159 nan 8.210 nan 0.000 0.585 253 K N 8.819 129.177 120.400 -0.069 0.000 2.412 253 K HA 0.253 4.573 4.320 -0.000 0.000 0.281 253 K C -2.449 174.143 176.600 -0.013 0.000 1.027 253 K CA -1.024 55.244 56.287 -0.032 0.000 0.989 253 K CB 0.634 33.108 32.500 -0.044 0.000 0.935 253 K HN 0.228 nan 8.250 nan 0.000 0.475 254 P HA 0.033 nan 4.420 nan 0.000 0.268 254 P C 0.001 177.213 177.300 -0.148 0.000 1.205 254 P CA 0.714 63.837 63.100 0.038 0.000 0.771 254 P CB 0.791 32.587 31.700 0.160 0.000 0.858 255 G N 1.709 110.275 108.800 -0.389 0.000 2.160 255 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 255 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 255 G C 0.656 175.416 174.900 -0.233 0.000 1.022 255 G CA 0.423 44.907 45.100 -1.027 0.000 0.741 255 G HN 0.566 nan 8.290 nan 0.000 0.508 256 T N -0.907 113.619 114.554 -0.045 0.000 3.091 256 T HA 0.241 4.591 4.350 -0.000 0.000 0.277 256 T C 1.618 176.249 174.700 -0.115 0.000 0.996 256 T CA 0.767 62.871 62.100 0.007 0.000 0.897 256 T CB 0.026 68.851 68.868 -0.071 0.000 1.109 256 T HN 0.293 nan 8.240 nan 0.000 0.534 257 D N 0.606 121.016 120.400 0.016 0.000 2.219 257 D HA -0.059 4.580 4.640 -0.000 0.000 0.205 257 D C 1.944 178.206 176.300 -0.064 0.000 0.970 257 D CA 1.126 55.123 54.000 -0.004 0.000 0.851 257 D CB 0.064 40.968 40.800 0.172 0.000 0.943 257 D HN 0.303 nan 8.370 nan 0.000 0.488 258 T N -0.204 114.352 114.554 0.003 0.000 2.951 258 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 258 T C 2.051 176.690 174.700 -0.102 0.000 1.073 258 T CA 0.967 63.065 62.100 -0.002 0.000 1.134 258 T CB -0.165 68.763 68.868 0.099 0.000 0.884 258 T HN 0.201 nan 8.240 nan 0.000 0.479 259 A N 1.451 124.078 122.820 -0.321 0.000 1.968 259 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 259 A C 2.227 179.635 177.584 -0.292 0.000 1.169 259 A CA 0.689 52.446 52.037 -0.466 0.000 0.638 259 A CB -0.601 17.550 19.000 -1.414 0.000 0.812 259 A HN 0.434 nan 8.150 nan 0.000 0.446 260 L N -0.583 120.400 121.223 -0.400 0.000 2.072 260 L HA -0.027 4.313 4.340 -0.000 0.000 0.205 260 L C 2.253 178.753 176.870 -0.616 0.000 1.079 260 L CA 1.452 55.948 54.840 -0.573 0.000 0.752 260 L CB -0.542 41.142 42.059 -0.626 0.000 0.906 260 L HN 0.413 nan 8.230 nan 0.000 0.436 261 L N -0.383 120.650 121.223 -0.316 0.000 2.027 261 L HA -0.240 4.100 4.340 -0.000 0.000 0.206 261 L C 2.642 179.561 176.870 0.083 0.000 1.074 261 L CA 0.997 55.803 54.840 -0.058 0.000 0.745 261 L CB -0.424 41.653 42.059 0.029 0.000 0.898 261 L HN 0.243 nan 8.230 nan 0.000 0.433 262 L N -0.407 120.842 121.223 0.044 0.000 2.079 262 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 262 L C 2.750 179.763 176.870 0.238 0.000 1.081 262 L CA 1.231 56.144 54.840 0.121 0.000 0.752 262 L CB -0.728 41.268 42.059 -0.105 0.000 0.896 262 L HN 0.263 nan 8.230 nan 0.000 0.433 263 A N -1.364 121.570 122.820 0.190 0.000 2.066 263 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 263 A C 1.897 179.679 177.584 0.331 0.000 1.157 263 A CA 0.758 52.925 52.037 0.216 0.000 0.670 263 A CB -0.525 18.547 19.000 0.121 0.000 0.804 263 A HN 0.490 nan 8.150 nan 0.000 0.453 264 W N -0.374 121.040 121.300 0.190 0.000 2.494 264 W HA 0.139 4.798 4.660 -0.000 0.000 0.286 264 W C 1.934 178.584 176.519 0.218 0.000 1.218 264 W CA -0.095 57.362 57.345 0.187 0.000 1.313 264 W CB -0.791 28.768 29.460 0.166 0.000 1.105 264 W HN 0.262 nan 8.180 nan 0.000 0.561 265 I N -0.468 120.379 120.570 0.461 0.000 2.163 265 I HA -0.378 3.792 4.170 -0.000 0.000 0.243 265 I C 2.504 178.832 176.117 0.352 0.000 1.085 265 I CA 2.093 63.611 61.300 0.364 0.000 1.347 265 I CB -0.679 37.523 38.000 0.336 0.000 1.044 265 I HN -0.004 nan 8.210 nan 0.000 0.408 266 H N 0.156 119.379 119.070 0.256 0.000 2.319 266 H HA -0.172 4.384 4.556 -0.000 0.000 0.299 266 H C 2.172 177.653 175.328 0.256 0.000 1.092 266 H CA 2.131 58.300 56.048 0.200 0.000 1.302 266 H CB 0.088 29.891 29.762 0.069 0.000 1.373 266 H HN 0.081 nan 8.280 nan 0.000 0.497 267 V N 0.733 120.955 119.914 0.513 0.000 2.427 267 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 267 V C 2.503 178.782 176.094 0.309 0.000 1.051 267 V CA 1.710 64.261 62.300 0.419 0.000 1.048 267 V CB -0.446 31.591 31.823 0.357 0.000 0.666 267 V HN 0.430 nan 8.190 nan 0.000 0.456 268 L N -1.003 120.389 121.223 0.282 0.000 2.217 268 L HA -0.058 4.282 4.340 -0.000 0.000 0.211 268 L C 2.225 179.250 176.870 0.258 0.000 1.107 268 L CA 1.273 56.263 54.840 0.249 0.000 0.783 268 L CB -0.408 41.790 42.059 0.231 0.000 0.919 268 L HN 0.256 nan 8.230 nan 0.000 0.442 269 I N -1.647 119.030 120.570 0.179 0.000 2.296 269 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 269 I C 2.114 178.293 176.117 0.104 0.000 1.087 269 I CA 1.157 62.477 61.300 0.035 0.000 1.393 269 I CB -0.078 37.937 38.000 0.025 0.000 1.093 269 I HN 0.080 nan 8.210 nan 0.000 0.421 270 Y N 0.662 120.937 120.300 -0.042 0.000 2.516 270 Y HA -0.044 4.506 4.550 -0.000 0.000 0.291 270 Y C 2.031 177.969 175.900 0.063 0.000 1.131 270 Y CA 0.769 58.836 58.100 -0.054 0.000 1.281 270 Y CB -0.085 38.207 38.460 -0.280 0.000 1.013 270 Y HN 0.178 nan 8.280 nan 0.000 0.554 271 E N -0.513 119.838 120.200 0.250 0.000 2.474 271 E HA -0.021 4.329 4.350 -0.000 0.000 0.195 271 E C -0.304 176.392 176.600 0.160 0.000 1.039 271 E CA 0.246 56.761 56.400 0.191 0.000 0.881 271 E CB 0.163 29.973 29.700 0.183 0.000 0.970 271 E HN 0.210 nan 8.360 nan 0.000 0.486 272 D N 0.098 120.622 120.400 0.206 0.000 2.716 272 D HA -0.188 4.452 4.640 -0.000 0.000 0.239 272 D C 0.087 176.479 176.300 0.154 0.000 1.125 272 D CA 0.374 54.504 54.000 0.217 0.000 0.681 272 D CB -1.109 39.755 40.800 0.107 0.000 1.070 272 D HN 0.255 nan 8.370 nan 0.000 0.432 273 L N -0.173 121.186 121.223 0.227 0.000 2.616 273 L HA 0.165 4.505 4.340 -0.000 0.000 0.229 273 L C 1.308 178.260 176.870 0.137 0.000 1.110 273 L CA -0.519 54.399 54.840 0.130 0.000 0.884 273 L CB -0.234 41.894 42.059 0.115 0.000 1.115 273 L HN 0.324 nan 8.230 nan 0.000 0.481 274 Y N -1.523 118.798 120.300 0.035 0.000 2.281 274 Y HA 0.221 4.771 4.550 -0.000 0.000 0.337 274 Y C 0.416 176.319 175.900 0.006 0.000 1.304 274 Y CA -1.091 57.027 58.100 0.030 0.000 1.465 274 Y CB 0.195 38.686 38.460 0.051 0.000 1.350 274 Y HN -0.136 nan 8.280 nan 0.000 0.575 275 D N 2.049 122.476 120.400 0.044 0.000 2.383 275 D HA 0.038 4.678 4.640 -0.000 0.000 0.245 275 D C 0.259 176.498 176.300 -0.101 0.000 1.263 275 D CA 0.011 53.993 54.000 -0.030 0.000 0.936 275 D CB 0.721 41.571 40.800 0.083 0.000 1.053 275 D HN 0.721 nan 8.370 nan 0.000 0.507 276 K N 2.828 123.022 120.400 -0.344 0.000 2.026 276 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 276 K C 1.616 178.133 176.600 -0.138 0.000 1.048 276 K CA 1.043 57.095 56.287 -0.391 0.000 0.929 276 K CB 0.222 32.477 32.500 -0.408 0.000 0.713 276 K HN 0.509 nan 8.250 nan 0.000 0.439 277 E N 0.294 120.457 120.200 -0.061 0.000 2.051 277 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 277 E C 2.038 178.652 176.600 0.023 0.000 0.991 277 E CA 1.281 57.666 56.400 -0.026 0.000 0.799 277 E CB -0.310 29.400 29.700 0.017 0.000 0.748 277 E HN 0.308 nan 8.360 nan 0.000 0.449 278 Y N 1.454 121.789 120.300 0.058 0.000 2.114 278 Y HA -0.308 4.242 4.550 -0.000 0.000 0.282 278 Y C 2.310 178.320 175.900 0.183 0.000 1.165 278 Y CA 1.474 59.715 58.100 0.235 0.000 1.148 278 Y CB -0.180 38.449 38.460 0.282 0.000 0.972 278 Y HN -0.167 nan 8.280 nan 0.000 0.504 279 V N -0.024 120.067 119.914 0.296 0.000 2.343 279 V HA -0.345 3.775 4.120 -0.000 0.000 0.247 279 V C 2.600 178.698 176.094 0.006 0.000 1.051 279 V CA 1.680 64.082 62.300 0.169 0.000 1.036 279 V CB -1.488 30.377 31.823 0.069 0.000 0.654 279 V HN 0.583 nan 8.190 nan 0.000 0.451 280 A N 1.084 123.864 122.820 -0.066 0.000 1.873 280 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 280 A C 2.177 179.649 177.584 -0.187 0.000 1.193 280 A CA 2.323 54.294 52.037 -0.110 0.000 0.629 280 A CB -0.404 18.526 19.000 -0.115 0.000 0.826 280 A HN 0.697 nan 8.150 nan 0.000 0.447 281 K N -2.250 117.927 120.400 -0.370 0.000 2.379 281 K HA 0.110 4.430 4.320 -0.000 0.000 0.194 281 K C -0.014 176.174 176.600 -0.687 0.000 1.031 281 K CA 0.762 56.683 56.287 -0.610 0.000 1.037 281 K CB 0.003 31.971 32.500 -0.887 0.000 0.824 281 K HN 0.658 nan 8.250 nan 0.000 0.516 282 Y N 0.484 120.723 120.300 -0.103 0.000 2.779 282 Y HA 0.264 4.814 4.550 -0.000 0.000 0.251 282 Y C -0.033 175.932 175.900 0.109 0.000 1.145 282 Y CA -0.738 57.356 58.100 -0.010 0.000 1.201 282 Y CB 1.567 39.853 38.460 -0.290 0.000 1.281 282 Y HN -0.193 nan 8.280 nan 0.000 0.563 283 T N 1.511 116.160 114.554 0.160 0.000 2.841 283 T HA 0.591 4.941 4.350 -0.000 0.000 0.285 283 T C -0.566 174.178 174.700 0.072 0.000 0.991 283 T CA -0.437 61.755 62.100 0.154 0.000 0.966 283 T CB 1.542 70.521 68.868 0.186 0.000 0.962 283 T HN -0.142 nan 8.240 nan 0.000 0.438 284 V N 2.288 122.224 119.914 0.035 0.000 2.713 284 V HA 0.700 4.819 4.120 -0.000 0.000 0.307 284 V C 1.171 177.266 176.094 0.001 0.000 1.052 284 V CA -0.294 62.005 62.300 -0.002 0.000 0.967 284 V CB 1.500 33.294 31.823 -0.050 0.000 1.019 284 V HN 1.178 nan 8.190 nan 0.000 0.459 285 G N 2.594 111.393 108.800 -0.002 0.000 2.386 285 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.295 285 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.295 285 G C 0.296 175.167 174.900 -0.049 0.000 0.979 285 G CA 0.985 46.065 45.100 -0.034 0.000 1.193 285 G HN 1.172 nan 8.290 nan 0.000 0.508 286 F N -0.381 119.510 119.950 -0.097 0.000 2.512 286 F HA 0.266 4.793 4.527 -0.000 0.000 0.296 286 F C 1.904 177.632 175.800 -0.120 0.000 1.110 286 F CA 1.280 59.209 58.000 -0.119 0.000 1.446 286 F CB 0.224 39.190 39.000 -0.056 0.000 1.092 286 F HN 0.273 nan 8.300 nan 0.000 0.554 287 E N 0.820 120.765 120.200 -0.426 0.000 2.107 287 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 287 E C 2.104 178.465 176.600 -0.399 0.000 0.982 287 E CA 1.276 57.373 56.400 -0.505 0.000 0.809 287 E CB -0.277 29.330 29.700 -0.155 0.000 0.756 287 E HN 0.575 nan 8.360 nan 0.000 0.459 288 E N 0.050 120.085 120.200 -0.275 0.000 2.118 288 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 288 E C 1.917 178.385 176.600 -0.220 0.000 0.992 288 E CA 0.602 56.881 56.400 -0.203 0.000 0.804 288 E CB -0.023 29.560 29.700 -0.194 0.000 0.741 288 E HN 0.231 nan 8.360 nan 0.000 0.458 289 L N 0.824 121.848 121.223 -0.331 0.000 2.056 289 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 289 L C 2.572 179.324 176.870 -0.196 0.000 1.078 289 L CA 1.361 56.040 54.840 -0.269 0.000 0.749 289 L CB -0.295 41.545 42.059 -0.365 0.000 0.901 289 L HN 0.105 nan 8.230 nan 0.000 0.433 290 K N -0.040 120.098 120.400 -0.436 0.000 2.026 290 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 290 K C 1.949 178.513 176.600 -0.060 0.000 1.048 290 K CA 1.429 57.537 56.287 -0.298 0.000 0.929 290 K CB -0.048 32.100 32.500 -0.586 0.000 0.713 290 K HN 0.320 nan 8.250 nan 0.000 0.439 291 A N 0.996 123.749 122.820 -0.111 0.000 1.930 291 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 291 A C 2.141 179.708 177.584 -0.029 0.000 1.175 291 A CA 1.427 53.438 52.037 -0.045 0.000 0.627 291 A CB -0.935 18.027 19.000 -0.064 0.000 0.815 291 A HN 0.570 nan 8.150 nan 0.000 0.443 292 H N -0.627 118.386 119.070 -0.095 0.000 2.319 292 H HA -0.072 4.484 4.556 -0.000 0.000 0.299 292 H C 1.322 176.576 175.328 -0.124 0.000 1.092 292 H CA 2.012 58.025 56.048 -0.058 0.000 1.302 292 H CB 0.059 29.823 29.762 0.003 0.000 1.373 292 H HN 0.221 nan 8.280 nan 0.000 0.497 293 V N 2.181 122.112 119.914 0.028 0.000 3.620 293 V HA -0.052 4.068 4.120 -0.000 0.000 0.286 293 V C 2.264 178.219 176.094 -0.231 0.000 1.288 293 V CA 0.484 62.802 62.300 0.030 0.000 1.178 293 V CB -0.427 31.555 31.823 0.264 0.000 0.986 293 V HN 0.340 nan 8.190 nan 0.000 0.431 294 K N 0.580 120.772 120.400 -0.345 0.000 2.009 294 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 294 K C 1.356 177.708 176.600 -0.412 0.000 1.049 294 K CA 2.079 58.150 56.287 -0.359 0.000 0.929 294 K CB -0.005 32.380 32.500 -0.191 0.000 0.714 294 K HN 0.452 nan 8.250 nan 0.000 0.440 295 D N -0.433 119.587 120.400 -0.633 0.000 2.350 295 D HA -0.002 4.638 4.640 -0.000 0.000 0.213 295 D C -0.100 175.795 176.300 -0.675 0.000 1.031 295 D CA 0.233 53.879 54.000 -0.590 0.000 0.861 295 D CB 0.100 40.537 40.800 -0.606 0.000 0.926 295 D HN 0.172 nan 8.370 nan 0.000 0.520 296 F N 1.947 121.569 119.950 -0.547 0.000 2.651 296 F HA 0.086 4.613 4.527 -0.000 0.000 0.347 296 F C 1.352 176.922 175.800 -0.382 0.000 1.284 296 F CA -0.349 57.215 58.000 -0.726 0.000 1.175 296 F CB 0.217 38.783 39.000 -0.723 0.000 1.542 296 F HN -0.306 nan 8.300 nan 0.000 0.661 297 T N 1.472 115.934 114.554 -0.153 0.000 2.927 297 T HA 0.274 4.624 4.350 -0.000 0.000 0.281 297 T C -1.604 173.086 174.700 -0.017 0.000 0.998 297 T CA -2.343 59.525 62.100 -0.386 0.000 1.019 297 T CB 1.686 70.368 68.868 -0.310 0.000 1.061 297 T HN 0.064 nan 8.240 nan 0.000 0.518 298 P HA -0.081 nan 4.420 nan 0.000 0.220 298 P C 1.134 178.440 177.300 0.011 0.000 1.144 298 P CA 0.961 64.072 63.100 0.019 0.000 0.800 298 P CB 0.157 31.885 31.700 0.047 0.000 0.772 299 E N -1.893 118.318 120.200 0.019 0.000 2.170 299 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 299 E C 1.997 178.614 176.600 0.029 0.000 0.981 299 E CA 0.687 57.092 56.400 0.008 0.000 0.830 299 E CB -1.163 28.543 29.700 0.011 0.000 0.775 299 E HN 0.413 nan 8.360 nan 0.000 0.470 300 W N 2.698 123.945 121.300 -0.088 0.000 2.358 300 W HA -0.081 4.579 4.660 -0.000 0.000 0.303 300 W C 2.375 178.854 176.519 -0.067 0.000 1.208 300 W CA 2.315 59.630 57.345 -0.049 0.000 1.274 300 W CB -0.194 29.291 29.460 0.041 0.000 1.138 300 W HN 0.065 nan 8.180 nan 0.000 0.515 301 A N 0.716 123.459 122.820 -0.129 0.000 1.877 301 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 301 A C 1.968 179.294 177.584 -0.431 0.000 1.186 301 A CA 1.980 53.747 52.037 -0.450 0.000 0.620 301 A CB -1.391 17.508 19.000 -0.169 0.000 0.822 301 A HN 0.581 nan 8.150 nan 0.000 0.443 302 E N -0.017 120.026 120.200 -0.262 0.000 2.273 302 E HA -0.262 4.088 4.350 -0.000 0.000 0.198 302 E C 1.909 178.345 176.600 -0.274 0.000 1.002 302 E CA 1.608 57.874 56.400 -0.223 0.000 0.828 302 E CB -0.155 29.464 29.700 -0.135 0.000 0.747 302 E HN 0.644 nan 8.360 nan 0.000 0.491 303 K N -0.608 119.557 120.400 -0.392 0.000 2.116 303 K HA -0.120 4.200 4.320 -0.000 0.000 0.203 303 K C 1.751 178.037 176.600 -0.524 0.000 1.052 303 K CA 1.217 57.227 56.287 -0.461 0.000 0.952 303 K CB 0.061 32.216 32.500 -0.575 0.000 0.729 303 K HN 0.365 nan 8.250 nan 0.000 0.446 304 H N -1.311 117.495 119.070 -0.440 0.000 2.476 304 H HA 0.052 4.608 4.556 -0.000 0.000 0.292 304 H C 1.826 176.941 175.328 -0.354 0.000 1.019 304 H CA 0.905 56.718 56.048 -0.393 0.000 1.330 304 H CB 0.261 29.617 29.762 -0.675 0.000 1.451 304 H HN 0.111 nan 8.280 nan 0.000 0.535 305 T N -0.029 114.339 114.554 -0.311 0.000 2.896 305 T HA -0.059 4.291 4.350 -0.000 0.000 0.263 305 T C 0.718 175.302 174.700 -0.193 0.000 1.050 305 T CA 0.943 62.875 62.100 -0.279 0.000 1.140 305 T CB 0.171 68.826 68.868 -0.355 0.000 0.877 305 T HN 0.448 nan 8.240 nan 0.000 0.457 306 E N -0.704 119.381 120.200 -0.191 0.000 4.047 306 E HA -0.139 4.211 4.350 -0.000 0.000 0.340 306 E C -0.554 175.962 176.600 -0.139 0.000 0.720 306 E CA 0.101 56.411 56.400 -0.150 0.000 1.320 306 E CB -1.395 28.231 29.700 -0.122 0.000 1.685 306 E HN 0.483 nan 8.360 nan 0.000 0.416 307 I N 1.672 122.154 120.570 -0.147 0.000 2.353 307 I HA 0.236 4.406 4.170 -0.000 0.000 0.293 307 I C -2.126 173.940 176.117 -0.085 0.000 0.992 307 I CA -2.160 59.072 61.300 -0.113 0.000 1.268 307 I CB 0.868 38.803 38.000 -0.109 0.000 1.387 307 I HN -0.215 nan 8.210 nan 0.000 0.478 308 P HA -0.037 nan 4.420 nan 0.000 0.266 308 P C 0.241 177.537 177.300 -0.006 0.000 1.193 308 P CA 0.010 63.091 63.100 -0.031 0.000 0.770 308 P CB 0.715 32.408 31.700 -0.011 0.000 0.836 309 A N 2.320 125.137 122.820 -0.007 0.000 1.972 309 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 309 A C 2.176 179.796 177.584 0.061 0.000 1.169 309 A CA 1.838 53.886 52.037 0.019 0.000 0.635 309 A CB -1.103 17.901 19.000 0.008 0.000 0.810 309 A HN 0.558 nan 8.150 nan 0.000 0.446 310 Q N -0.004 119.830 119.800 0.056 0.000 2.046 310 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 310 Q C 1.862 177.926 176.000 0.107 0.000 0.975 310 Q CA 2.207 58.055 55.803 0.075 0.000 0.836 310 Q CB -0.643 28.130 28.738 0.057 0.000 0.896 310 Q HN 0.317 nan 8.270 nan 0.000 0.428 311 V N 0.766 120.743 119.914 0.105 0.000 2.287 311 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 311 V C 2.309 178.544 176.094 0.235 0.000 1.053 311 V CA 2.039 64.426 62.300 0.146 0.000 1.027 311 V CB -0.655 31.237 31.823 0.114 0.000 0.646 311 V HN 0.424 nan 8.190 nan 0.000 0.447 312 I N -0.766 119.942 120.570 0.231 0.000 2.208 312 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 312 I C 2.800 179.213 176.117 0.493 0.000 1.097 312 I CA 1.708 63.250 61.300 0.405 0.000 1.363 312 I CB -0.498 37.607 38.000 0.176 0.000 1.051 312 I HN 0.233 nan 8.210 nan 0.000 0.413 313 R N 0.657 121.323 120.500 0.277 0.000 2.070 313 R HA -0.176 4.164 4.340 -0.000 0.000 0.233 313 R C 2.285 178.676 176.300 0.151 0.000 1.137 313 R CA 1.646 57.874 56.100 0.213 0.000 0.945 313 R CB -0.253 30.136 30.300 0.148 0.000 0.845 313 R HN 0.380 nan 8.270 nan 0.000 0.430 314 E N -0.191 120.090 120.200 0.136 0.000 2.070 314 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 314 E C 1.979 178.619 176.600 0.066 0.000 1.004 314 E CA 1.597 58.055 56.400 0.096 0.000 0.805 314 E CB 0.016 29.782 29.700 0.111 0.000 0.744 314 E HN 0.098 nan 8.360 nan 0.000 0.451 315 V N 0.997 120.978 119.914 0.111 0.000 2.343 315 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 315 V C 2.252 178.168 176.094 -0.296 0.000 1.051 315 V CA 1.876 64.178 62.300 0.003 0.000 1.036 315 V CB -0.679 31.209 31.823 0.109 0.000 0.654 315 V HN 0.356 nan 8.190 nan 0.000 0.451 316 A N -0.318 122.289 122.820 -0.355 0.000 1.969 316 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 316 A C 2.366 179.851 177.584 -0.166 0.000 1.169 316 A CA 1.625 53.445 52.037 -0.361 0.000 0.635 316 A CB -0.423 18.503 19.000 -0.123 0.000 0.810 316 A HN 0.509 nan 8.150 nan 0.000 0.445 317 R N -0.154 120.295 120.500 -0.086 0.000 2.066 317 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 317 R C 2.104 178.318 176.300 -0.144 0.000 1.131 317 R CA 1.571 57.632 56.100 -0.066 0.000 0.955 317 R CB -0.315 29.975 30.300 -0.017 0.000 0.851 317 R HN 0.667 nan 8.270 nan 0.000 0.432 318 E N 0.839 120.921 120.200 -0.196 0.000 2.118 318 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 318 E C 2.111 178.357 176.600 -0.590 0.000 0.992 318 E CA 1.614 57.815 56.400 -0.332 0.000 0.804 318 E CB -0.182 29.322 29.700 -0.327 0.000 0.741 318 E HN 0.473 nan 8.360 nan 0.000 0.458 319 M N -0.151 119.083 119.600 -0.609 0.000 2.193 319 M HA 0.101 4.581 4.480 -0.000 0.000 0.265 319 M C 2.443 178.621 176.300 -0.203 0.000 1.071 319 M CA 1.580 56.569 55.300 -0.519 0.000 1.140 319 M CB -0.239 32.197 32.600 -0.273 0.000 1.369 319 M HN -0.002 nan 8.290 nan 0.000 0.423 320 A N 1.517 124.249 122.820 -0.147 0.000 1.883 320 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 320 A C 2.497 180.023 177.584 -0.097 0.000 1.186 320 A CA 2.350 54.346 52.037 -0.068 0.000 0.624 320 A CB -1.348 17.634 19.000 -0.029 0.000 0.822 320 A HN 0.734 nan 8.150 nan 0.000 0.444 321 A N -1.920 120.804 122.820 -0.160 0.000 2.194 321 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 321 A C 1.824 179.208 177.584 -0.335 0.000 1.162 321 A CA 1.688 53.579 52.037 -0.243 0.000 0.674 321 A CB -0.744 18.068 19.000 -0.314 0.000 0.789 321 A HN 0.727 nan 8.150 nan 0.000 0.470 322 H N -0.464 118.520 119.070 -0.144 0.000 2.874 322 H HA 0.075 4.631 4.556 -0.000 0.000 0.264 322 H C 0.073 175.370 175.328 -0.051 0.000 1.007 322 H CA 0.320 56.314 56.048 -0.091 0.000 1.207 322 H CB 0.208 29.914 29.762 -0.092 0.000 1.487 322 H HN 0.660 nan 8.280 nan 0.000 0.505 323 K N 2.569 122.998 120.400 0.049 0.000 2.580 323 K HA -0.023 4.297 4.320 -0.000 0.000 0.278 323 K C -1.853 174.760 176.600 0.022 0.000 0.960 323 K CA -0.608 55.697 56.287 0.030 0.000 0.988 323 K CB 0.226 32.732 32.500 0.010 0.000 0.887 323 K HN 0.007 nan 8.250 nan 0.000 0.509 324 P HA -0.035 nan 4.420 nan 0.000 0.249 324 P C -0.284 177.032 177.300 0.026 0.000 1.241 324 P CA 0.513 63.622 63.100 0.014 0.000 0.781 324 P CB 0.255 31.960 31.700 0.010 0.000 1.088 325 R N 0.358 120.884 120.500 0.044 0.000 3.081 325 R HA 0.492 4.832 4.340 -0.000 0.000 0.280 325 R C 0.167 176.501 176.300 0.056 0.000 1.372 325 R CA -0.151 55.975 56.100 0.044 0.000 1.242 325 R CB 0.235 30.567 30.300 0.054 0.000 1.316 325 R HN 0.062 nan 8.270 nan 0.000 0.585 326 A N 0.815 123.671 122.820 0.061 0.000 2.343 326 A HA 0.587 4.907 4.320 -0.000 0.000 0.308 326 A C -0.376 177.240 177.584 0.053 0.000 1.092 326 A CA -0.631 51.463 52.037 0.096 0.000 0.751 326 A CB 1.415 20.475 19.000 0.100 0.000 1.203 326 A HN 0.087 nan 8.150 nan 0.000 0.452 327 V N 0.756 120.679 119.914 0.014 0.000 2.789 327 V HA 0.606 4.726 4.120 -0.000 0.000 0.311 327 V C -0.828 175.258 176.094 -0.012 0.000 1.073 327 V CA -0.728 61.534 62.300 -0.064 0.000 0.921 327 V CB 1.527 33.154 31.823 -0.327 0.000 1.009 327 V HN 0.632 nan 8.190 nan 0.000 0.426 328 L N 5.634 126.899 121.223 0.069 0.000 2.360 328 L HA 0.500 4.840 4.340 -0.000 0.000 0.265 328 L C -2.395 174.537 176.870 0.102 0.000 1.066 328 L CA -1.228 53.691 54.840 0.131 0.000 0.929 328 L CB 0.803 43.000 42.059 0.231 0.000 1.306 328 L HN 0.477 nan 8.230 nan 0.000 0.434 329 P HA 0.134 nan 4.420 nan 0.000 0.268 329 P C -2.517 174.926 177.300 0.238 0.000 1.205 329 P CA -1.153 61.939 63.100 -0.014 0.000 0.771 329 P CB -0.135 31.475 31.700 -0.150 0.000 0.858 330 P HA 0.090 nan 4.420 nan 0.000 0.276 330 P C 0.241 177.557 177.300 0.028 0.000 1.235 330 P CA 0.038 63.231 63.100 0.154 0.000 0.772 330 P CB 0.289 32.078 31.700 0.147 0.000 0.871 331 T N 1.808 116.306 114.554 -0.092 0.000 2.748 331 T HA 0.048 4.398 4.350 -0.000 0.000 0.304 331 T C 1.427 176.022 174.700 -0.175 0.000 1.041 331 T CA -0.045 61.822 62.100 -0.388 0.000 1.033 331 T CB 0.307 69.121 68.868 -0.091 0.000 0.995 331 T HN 0.358 nan 8.240 nan 0.000 0.536 332 R N -0.046 120.391 120.500 -0.106 0.000 2.087 332 R HA 0.073 4.413 4.340 -0.000 0.000 0.216 332 R C 0.501 176.876 176.300 0.126 0.000 1.114 332 R CA 0.376 56.519 56.100 0.072 0.000 1.002 332 R CB -0.168 30.249 30.300 0.195 0.000 0.903 332 R HN 0.768 nan 8.270 nan 0.000 0.445 333 H N 0.924 120.060 119.070 0.110 0.000 2.782 333 H HA 0.191 4.747 4.556 -0.000 0.000 0.285 333 H C -0.445 174.996 175.328 0.189 0.000 1.093 333 H CA -0.018 56.130 56.048 0.167 0.000 1.410 333 H CB 0.405 30.308 29.762 0.234 0.000 1.439 333 H HN 0.153 nan 8.280 nan 0.000 0.469 334 N N 4.246 122.742 118.700 -0.340 0.000 2.282 334 N HA 0.015 4.755 4.740 -0.000 0.000 0.240 334 N C 0.485 175.577 175.510 -0.696 0.000 1.182 334 N CA 0.125 52.733 53.050 -0.738 0.000 0.874 334 N CB 1.198 39.371 38.487 -0.525 0.000 1.126 334 N HN 0.398 nan 8.380 nan 0.000 0.516 335 V N -0.089 119.522 119.914 -0.504 0.000 3.235 335 V HA -0.057 4.063 4.120 -0.000 0.000 0.259 335 V C 1.329 177.403 176.094 -0.033 0.000 1.133 335 V CA 0.363 62.494 62.300 -0.281 0.000 1.128 335 V CB -0.480 31.164 31.823 -0.298 0.000 0.757 335 V HN 0.315 nan 8.190 nan 0.000 0.469 336 W N 0.000 121.137 121.300 -0.272 0.000 2.000 336 W HA -0.287 4.373 4.660 -0.000 0.000 0.349 336 W C 0.907 176.919 176.519 -0.846 0.000 1.569 336 W CA 1.595 58.636 57.345 -0.507 0.000 1.767 336 W CB -1.527 27.678 29.460 -0.425 0.000 0.991 336 W HN 0.344 nan 8.180 nan 0.000 0.478 337 Y N -3.839 116.629 120.300 0.279 0.000 2.655 337 Y HA 0.550 5.100 4.550 -0.000 0.000 0.336 337 Y C 1.297 177.230 175.900 0.054 0.000 1.154 337 Y CA -0.785 57.403 58.100 0.147 0.000 1.055 337 Y CB 0.350 38.906 38.460 0.161 0.000 1.295 337 Y HN -0.226 nan 8.280 nan 0.000 0.465 338 G N -0.174 108.726 108.800 0.166 0.000 2.448 338 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 338 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 338 G C 0.768 175.681 174.900 0.021 0.000 1.127 338 G CA 1.310 46.452 45.100 0.069 0.000 0.766 338 G HN 0.762 nan 8.290 nan 0.000 0.552 339 D N 0.917 121.353 120.400 0.062 0.000 2.347 339 D HA -0.039 4.601 4.640 -0.000 0.000 0.213 339 D C 1.378 177.638 176.300 -0.067 0.000 0.985 339 D CA 0.524 54.535 54.000 0.019 0.000 0.879 339 D CB -0.503 40.376 40.800 0.130 0.000 0.919 339 D HN 0.229 nan 8.370 nan 0.000 0.526 340 D N 0.914 121.271 120.400 -0.071 0.000 4.399 340 D HA -0.281 4.359 4.640 -0.000 0.000 0.192 340 D C 1.469 177.614 176.300 -0.258 0.000 1.389 340 D CA 2.501 56.388 54.000 -0.188 0.000 0.883 340 D CB -0.698 39.948 40.800 -0.258 0.000 0.872 340 D HN 0.318 nan 8.370 nan 0.000 0.589 341 T N -0.237 114.119 114.554 -0.331 0.000 2.867 341 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 341 T C 1.868 176.399 174.700 -0.280 0.000 1.057 341 T CA 0.665 62.527 62.100 -0.397 0.000 1.136 341 T CB -0.388 68.144 68.868 -0.560 0.000 0.874 341 T HN 0.396 nan 8.240 nan 0.000 0.466 342 Y N 1.178 121.355 120.300 -0.204 0.000 2.145 342 Y HA -0.141 4.409 4.550 -0.000 0.000 0.286 342 Y C 2.969 178.757 175.900 -0.186 0.000 1.145 342 Y CA 0.886 58.882 58.100 -0.173 0.000 1.148 342 Y CB -0.095 38.309 38.460 -0.094 0.000 0.981 342 Y HN 0.019 nan 8.280 nan 0.000 0.507 343 R N 0.484 120.995 120.500 0.019 0.000 2.083 343 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 343 R C 1.956 178.179 176.300 -0.128 0.000 1.137 343 R CA 2.021 58.089 56.100 -0.054 0.000 0.951 343 R CB -0.606 29.646 30.300 -0.079 0.000 0.851 343 R HN 0.189 nan 8.270 nan 0.000 0.434 344 V N 1.309 121.109 119.914 -0.190 0.000 2.343 344 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 344 V C 2.513 178.475 176.094 -0.221 0.000 1.051 344 V CA 2.095 64.282 62.300 -0.188 0.000 1.036 344 V CB -0.489 31.205 31.823 -0.215 0.000 0.654 344 V HN 0.377 nan 8.190 nan 0.000 0.451 345 M N 0.208 119.629 119.600 -0.298 0.000 2.082 345 M HA -0.224 4.256 4.480 -0.000 0.000 0.258 345 M C 2.379 178.131 176.300 -0.913 0.000 1.069 345 M CA 2.387 57.368 55.300 -0.531 0.000 1.102 345 M CB -0.607 31.738 32.600 -0.423 0.000 1.336 345 M HN 0.410 nan 8.290 nan 0.000 0.404 346 A N -0.013 122.461 122.820 -0.577 0.000 1.933 346 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 346 A C 2.148 179.670 177.584 -0.103 0.000 1.175 346 A CA 1.531 53.356 52.037 -0.352 0.000 0.628 346 A CB -0.919 18.019 19.000 -0.104 0.000 0.814 346 A HN 0.560 nan 8.150 nan 0.000 0.444 347 L N -0.684 120.506 121.223 -0.055 0.000 2.093 347 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 347 L C 2.220 179.169 176.870 0.132 0.000 1.085 347 L CA 1.205 56.102 54.840 0.096 0.000 0.755 347 L CB -0.163 41.949 42.059 0.088 0.000 0.904 347 L HN 0.396 nan 8.230 nan 0.000 0.435 348 L N -1.503 119.736 121.223 0.027 0.000 2.109 348 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 348 L C 2.419 179.413 176.870 0.206 0.000 1.086 348 L CA 1.212 56.123 54.840 0.119 0.000 0.760 348 L CB -0.732 41.338 42.059 0.019 0.000 0.910 348 L HN 0.312 nan 8.230 nan 0.000 0.437 349 Y N -0.657 119.688 120.300 0.074 0.000 2.145 349 Y HA -0.248 4.302 4.550 -0.000 0.000 0.286 349 Y C 2.678 178.664 175.900 0.143 0.000 1.145 349 Y CA 0.540 58.688 58.100 0.080 0.000 1.148 349 Y CB -0.290 38.213 38.460 0.072 0.000 0.981 349 Y HN -0.082 nan 8.280 nan 0.000 0.507 350 V N 0.723 120.838 119.914 0.336 0.000 2.332 350 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 350 V C 1.845 178.091 176.094 0.253 0.000 1.055 350 V CA 1.913 64.387 62.300 0.291 0.000 1.038 350 V CB -0.563 31.448 31.823 0.313 0.000 0.651 350 V HN 0.515 nan 8.190 nan 0.000 0.450 351 N N -0.075 118.793 118.700 0.280 0.000 2.188 351 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 351 N C 1.828 177.472 175.510 0.224 0.000 1.018 351 N CA 1.276 54.504 53.050 0.297 0.000 0.858 351 N CB -0.190 38.573 38.487 0.459 0.000 0.989 351 N HN 0.356 nan 8.380 nan 0.000 0.426 352 V N 2.159 122.222 119.914 0.249 0.000 2.261 352 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 352 V C 2.404 178.590 176.094 0.152 0.000 1.047 352 V CA 1.153 63.584 62.300 0.218 0.000 1.015 352 V CB -0.450 31.529 31.823 0.260 0.000 0.642 352 V HN 0.262 nan 8.190 nan 0.000 0.446 353 L N -0.761 120.586 121.223 0.207 0.000 2.261 353 L HA -0.169 4.171 4.340 -0.000 0.000 0.216 353 L C 2.096 179.077 176.870 0.184 0.000 1.114 353 L CA 1.254 56.233 54.840 0.233 0.000 0.777 353 L CB -0.352 41.843 42.059 0.227 0.000 0.910 353 L HN 0.357 nan 8.230 nan 0.000 0.440 354 L N -0.919 120.364 121.223 0.099 0.000 2.529 354 L HA 0.155 4.495 4.340 -0.000 0.000 0.223 354 L C 1.429 178.258 176.870 -0.069 0.000 1.113 354 L CA 0.478 55.346 54.840 0.047 0.000 0.861 354 L CB -0.146 41.953 42.059 0.066 0.000 1.012 354 L HN 0.411 nan 8.230 nan 0.000 0.461 355 G N 1.399 110.028 108.800 -0.286 0.000 2.176 355 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.252 355 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.252 355 G C 0.469 175.023 174.900 -0.578 0.000 1.024 355 G CA 0.646 45.251 45.100 -0.826 0.000 0.755 355 G HN 0.604 nan 8.290 nan 0.000 0.507 356 N N -0.977 117.576 118.700 -0.245 0.000 2.373 356 N HA 0.100 4.840 4.740 -0.000 0.000 0.181 356 N C 0.631 176.248 175.510 0.177 0.000 1.082 356 N CA -0.164 52.898 53.050 0.019 0.000 0.885 356 N CB -0.008 38.552 38.487 0.122 0.000 0.977 356 N HN 0.495 nan 8.380 nan 0.000 0.462 357 Y N 1.419 121.718 120.300 -0.002 0.000 2.537 357 Y HA 0.380 4.930 4.550 -0.000 0.000 0.339 357 Y C 1.434 177.367 175.900 0.055 0.000 1.066 357 Y CA 0.955 59.051 58.100 -0.005 0.000 1.357 357 Y CB 0.070 38.410 38.460 -0.201 0.000 1.175 357 Y HN 0.377 nan 8.280 nan 0.000 0.525 358 G N 4.486 113.184 108.800 -0.171 0.000 2.157 358 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.248 358 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.248 358 G C 0.036 175.136 174.900 0.333 0.000 0.979 358 G CA -0.271 44.834 45.100 0.009 0.000 0.650 358 G HN 0.535 nan 8.290 nan 0.000 0.529 359 R N -0.082 120.597 120.500 0.298 0.000 2.778 359 R HA 0.515 4.855 4.340 -0.000 0.000 0.277 359 R C -2.921 173.490 176.300 0.185 0.000 0.977 359 R CA -2.172 54.059 56.100 0.219 0.000 0.950 359 R CB 1.505 31.872 30.300 0.112 0.000 1.165 359 R HN -0.018 nan 8.270 nan 0.000 0.474 360 P HA 0.137 nan 4.420 nan 0.000 0.276 360 P C 0.343 177.620 177.300 -0.037 0.000 1.253 360 P CA 0.546 63.510 63.100 -0.227 0.000 0.766 360 P CB 0.815 32.171 31.700 -0.573 0.000 0.845 361 G N 2.832 111.666 108.800 0.057 0.000 4.205 361 G HA2 0.008 3.968 3.960 -0.000 0.000 0.200 361 G HA3 0.008 3.968 3.960 -0.000 0.000 0.200 361 G C 0.633 175.505 174.900 -0.047 0.000 1.190 361 G CA 0.329 45.439 45.100 0.017 0.000 0.861 361 G HN 0.622 nan 8.290 nan 0.000 0.326 362 G N -0.677 108.074 108.800 -0.082 0.000 3.193 362 G HA2 0.445 4.405 3.960 -0.000 0.000 0.183 362 G HA3 0.445 4.405 3.960 -0.000 0.000 0.183 362 G C -0.399 174.125 174.900 -0.627 0.000 1.254 362 G CA -0.028 44.845 45.100 -0.379 0.000 0.898 362 G HN 0.404 nan 8.290 nan 0.000 0.816 363 F N 1.864 121.675 119.950 -0.232 0.000 2.902 363 F HA 0.289 4.816 4.527 -0.000 0.000 0.368 363 F C 0.843 176.376 175.800 -0.444 0.000 1.202 363 F CA -1.298 56.393 58.000 -0.516 0.000 1.109 363 F CB 1.261 39.875 39.000 -0.643 0.000 1.418 363 F HN 0.167 nan 8.300 nan 0.000 0.527 364 Y N 1.754 121.946 120.300 -0.180 0.000 2.439 364 Y HA 0.287 4.837 4.550 -0.000 0.000 0.292 364 Y C 0.592 176.189 175.900 -0.506 0.000 1.130 364 Y CA -0.750 57.077 58.100 -0.455 0.000 1.254 364 Y CB -0.319 37.685 38.460 -0.760 0.000 1.000 364 Y HN 0.244 nan 8.280 nan 0.000 0.554 365 I N -0.099 120.380 120.570 -0.153 0.000 7.304 365 I HA -0.089 4.081 4.170 -0.000 0.000 0.129 365 I C -0.524 175.642 176.117 0.082 0.000 1.838 365 I CA -0.309 60.914 61.300 -0.129 0.000 2.037 365 I CB -1.548 36.408 38.000 -0.072 0.000 3.630 365 I HN 0.364 nan 8.210 nan 0.000 0.169 366 A N 7.414 130.271 122.820 0.061 0.000 2.249 366 A HA 0.705 5.025 4.320 -0.000 0.000 0.314 366 A C 0.110 177.744 177.584 0.083 0.000 1.290 366 A CA -0.478 51.627 52.037 0.113 0.000 0.893 366 A CB 1.083 20.156 19.000 0.122 0.000 1.165 366 A HN 0.508 nan 8.150 nan 0.000 0.530 367 Q N 0.963 120.808 119.800 0.074 0.000 2.274 367 Q HA 0.397 4.737 4.340 -0.000 0.000 0.260 367 Q C -0.074 175.946 176.000 0.034 0.000 0.974 367 Q CA -0.194 55.659 55.803 0.083 0.000 0.876 367 Q CB 1.985 30.784 28.738 0.102 0.000 1.297 367 Q HN 0.706 nan 8.270 nan 0.000 0.446 368 S N 3.099 118.817 115.700 0.030 0.000 2.565 368 S HA 0.383 4.853 4.470 -0.000 0.000 0.276 368 S C -2.087 172.505 174.600 -0.013 0.000 1.326 368 S CA -0.937 57.256 58.200 -0.011 0.000 1.045 368 S CB 0.422 63.622 63.200 -0.001 0.000 0.918 368 S HN 0.329 nan 8.310 nan 0.000 0.505 369 P HA 0.126 nan 4.420 nan 0.000 0.274 369 P C -1.335 175.961 177.300 -0.007 0.000 1.246 369 P CA -0.359 62.718 63.100 -0.039 0.000 0.795 369 P CB 0.285 31.926 31.700 -0.098 0.000 1.006 370 Y N 1.821 122.066 120.300 -0.092 0.000 2.404 370 Y HA 0.529 5.079 4.550 -0.000 0.000 0.344 370 Y C -0.950 174.868 175.900 -0.135 0.000 0.970 370 Y CA -0.516 57.525 58.100 -0.098 0.000 1.180 370 Y CB 0.203 38.614 38.460 -0.082 0.000 1.138 370 Y HN 0.214 nan 8.280 nan 0.000 0.510 371 L N 7.185 127.907 121.223 -0.835 0.000 2.516 371 L HA 0.313 4.653 4.340 -0.000 0.000 0.267 371 L C -1.086 175.328 176.870 -0.759 0.000 0.957 371 L CA -0.670 53.687 54.840 -0.805 0.000 0.860 371 L CB 1.927 43.648 42.059 -0.563 0.000 1.265 371 L HN 0.768 nan 8.230 nan 0.000 0.403 372 E N 4.899 124.620 120.200 -0.799 0.000 2.338 372 E HA 0.223 4.573 4.350 -0.000 0.000 0.272 372 E C -0.592 175.834 176.600 -0.290 0.000 1.029 372 E CA -0.448 55.675 56.400 -0.463 0.000 0.872 372 E CB 1.163 30.666 29.700 -0.329 0.000 1.015 372 E HN 0.430 nan 8.360 nan 0.000 0.417 373 K N 2.627 122.928 120.400 -0.165 0.000 2.286 373 K HA -0.052 4.268 4.320 -0.000 0.000 0.256 373 K C -0.494 176.056 176.600 -0.084 0.000 0.999 373 K CA -0.046 56.187 56.287 -0.091 0.000 0.908 373 K CB 0.276 32.783 32.500 0.011 0.000 0.981 373 K HN 0.506 nan 8.250 nan 0.000 0.500 374 Y N 2.573 122.748 120.300 -0.208 0.000 2.377 374 Y HA 0.134 4.684 4.550 -0.000 0.000 0.330 374 Y C -2.030 173.851 175.900 -0.031 0.000 1.108 374 Y CA -2.216 55.737 58.100 -0.245 0.000 1.308 374 Y CB 0.621 38.787 38.460 -0.490 0.000 1.216 374 Y HN 0.393 nan 8.280 nan 0.000 0.518 375 P HA 0.148 nan 4.420 nan 0.000 0.261 375 P C -1.196 176.204 177.300 0.167 0.000 1.203 375 P CA 0.661 63.740 63.100 -0.035 0.000 0.767 375 P CB 0.317 31.916 31.700 -0.168 0.000 0.785 376 L N 4.055 125.395 121.223 0.196 0.000 2.600 376 L HA 0.532 4.872 4.340 -0.000 0.000 0.257 376 L C -2.373 174.584 176.870 0.145 0.000 1.048 376 L CA -2.423 52.551 54.840 0.224 0.000 0.869 376 L CB 1.870 44.168 42.059 0.398 0.000 1.482 376 L HN 0.126 nan 8.230 nan 0.000 0.408 377 P HA 0.286 nan 4.420 nan 0.000 0.272 377 P C -2.566 174.853 177.300 0.198 0.000 1.223 377 P CA -1.056 62.068 63.100 0.040 0.000 0.784 377 P CB -0.238 31.376 31.700 -0.143 0.000 0.923 378 P HA 0.034 nan 4.420 nan 0.000 0.269 378 P C -0.455 176.980 177.300 0.225 0.000 1.217 378 P CA 0.036 63.232 63.100 0.160 0.000 0.783 378 P CB 0.272 32.028 31.700 0.094 0.000 0.898 379 L N 4.934 126.202 121.223 0.076 0.000 2.371 379 L HA 0.206 4.546 4.340 -0.000 0.000 0.272 379 L C -1.182 175.635 176.870 -0.088 0.000 1.124 379 L CA -1.869 52.889 54.840 -0.137 0.000 0.816 379 L CB -0.305 41.575 42.059 -0.298 0.000 1.129 379 L HN 0.353 nan 8.230 nan 0.000 0.448 380 P HA -0.153 nan 4.420 nan 0.000 0.217 380 P C -0.219 177.042 177.300 -0.064 0.000 1.162 380 P CA 1.490 64.549 63.100 -0.069 0.000 0.901 380 P CB 0.157 31.792 31.700 -0.109 0.000 0.793 381 L N -1.360 119.806 121.223 -0.095 0.000 2.322 381 L HA 0.435 4.774 4.340 -0.000 0.000 0.281 381 L C 0.348 177.191 176.870 -0.044 0.000 1.014 381 L CA -0.730 54.081 54.840 -0.048 0.000 0.815 381 L CB 1.727 43.765 42.059 -0.035 0.000 1.247 381 L HN -0.232 nan 8.230 nan 0.000 0.421 382 E N 2.925 123.124 120.200 -0.002 0.000 2.235 382 E HA 0.583 4.933 4.350 -0.000 0.000 0.265 382 E C -2.309 174.314 176.600 0.038 0.000 0.940 382 E CA -1.451 54.957 56.400 0.013 0.000 0.819 382 E CB 1.339 31.055 29.700 0.026 0.000 1.206 382 E HN 0.349 nan 8.360 nan 0.000 0.409 383 P HA 0.461 nan 4.420 nan 0.000 0.278 383 P C -1.653 175.680 177.300 0.055 0.000 1.258 383 P CA -0.776 62.358 63.100 0.056 0.000 0.811 383 P CB 1.299 33.032 31.700 0.055 0.000 1.063 384 A N 0.733 123.585 122.820 0.053 0.000 2.536 384 A HA 0.566 4.885 4.320 -0.000 0.000 0.329 384 A C 0.464 178.077 177.584 0.048 0.000 1.321 384 A CA -0.583 51.480 52.037 0.044 0.000 0.804 384 A CB 0.015 19.029 19.000 0.025 0.000 1.126 384 A HN 0.553 nan 8.150 nan 0.000 0.480 385 A N 2.403 125.257 122.820 0.056 0.000 3.004 385 A HA 0.475 4.795 4.320 -0.000 0.000 0.252 385 A C 1.132 178.760 177.584 0.073 0.000 1.802 385 A CA 0.455 52.529 52.037 0.062 0.000 1.424 385 A CB -1.126 17.912 19.000 0.063 0.000 1.005 385 A HN 1.363 nan 8.150 nan 0.000 0.631 386 G N -1.111 107.732 108.800 0.073 0.000 2.720 386 G HA2 0.393 4.353 3.960 -0.000 0.000 0.237 386 G HA3 0.393 4.353 3.960 -0.000 0.000 0.237 386 G C 0.883 175.860 174.900 0.129 0.000 1.239 386 G CA 0.337 45.493 45.100 0.094 0.000 0.847 386 G HN 1.207 nan 8.290 nan 0.000 0.593 387 G N -1.756 107.137 108.800 0.154 0.000 4.242 387 G HA2 0.240 4.200 3.960 -0.000 0.000 0.159 387 G HA3 0.240 4.200 3.960 -0.000 0.000 0.159 387 G C 0.265 175.239 174.900 0.125 0.000 0.921 387 G CA 0.891 46.091 45.100 0.167 0.000 0.910 387 G HN 1.484 nan 8.290 nan 0.000 0.419 388 C N -0.426 119.040 119.300 0.277 0.000 3.336 388 C HA 0.764 5.224 4.460 -0.000 0.000 0.352 388 C C 1.327 176.461 174.990 0.239 0.000 1.567 388 C CA 0.101 59.394 59.018 0.458 0.000 1.328 388 C CB 1.033 28.960 27.740 0.311 0.000 1.922 388 C HN 1.742 nan 8.230 nan 0.000 0.439 389 S N -0.737 115.032 115.700 0.115 0.000 3.367 389 S HA 0.152 4.622 4.470 -0.000 0.000 0.375 389 S C 0.934 175.560 174.600 0.043 0.000 0.962 389 S CA 1.324 59.545 58.200 0.035 0.000 1.229 389 S CB -2.156 61.055 63.200 0.019 0.000 0.905 389 S HN 3.213 nan 8.310 nan 0.000 0.482 390 G N 0.948 109.788 108.800 0.065 0.000 2.600 390 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.251 390 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.251 390 G C -1.265 173.637 174.900 0.002 0.000 1.142 390 G CA -0.234 44.877 45.100 0.018 0.000 0.994 390 G HN 0.807 nan 8.290 nan 0.000 0.511 391 P HA 0.281 nan 4.420 nan 0.000 0.262 391 P C 0.990 178.235 177.300 -0.092 0.000 1.651 391 P CA 0.553 63.648 63.100 -0.008 0.000 1.119 391 P CB 1.070 32.807 31.700 0.061 0.000 1.552 392 S N 0.684 116.287 115.700 -0.163 0.000 2.477 392 S HA 0.315 4.785 4.470 -0.000 0.000 0.162 392 S C 1.569 176.006 174.600 -0.272 0.000 0.909 392 S CA 0.995 59.042 58.200 -0.255 0.000 1.147 392 S CB -0.786 62.214 63.200 -0.333 0.000 0.740 392 S HN 0.168 nan 8.310 nan 0.000 0.478 393 G N -0.513 108.162 108.800 -0.209 0.000 3.651 393 G HA2 0.423 4.383 3.960 -0.000 0.000 0.279 393 G HA3 0.423 4.383 3.960 -0.000 0.000 0.279 393 G C 0.981 175.855 174.900 -0.043 0.000 1.024 393 G CA 0.461 45.464 45.100 -0.161 0.000 0.813 393 G HN 0.673 nan 8.290 nan 0.000 0.518 394 G N 1.839 110.606 108.800 -0.054 0.000 2.469 394 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 394 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 394 G C 1.276 176.186 174.900 0.017 0.000 1.150 394 G CA 1.536 46.626 45.100 -0.018 0.000 0.763 394 G HN 0.467 nan 8.290 nan 0.000 0.561 395 D N -0.918 119.515 120.400 0.056 0.000 2.355 395 D HA 0.065 4.705 4.640 -0.000 0.000 0.218 395 D C 1.607 177.995 176.300 0.146 0.000 1.004 395 D CA 0.525 54.582 54.000 0.096 0.000 0.880 395 D CB -0.343 40.529 40.800 0.119 0.000 0.911 395 D HN 0.351 nan 8.370 nan 0.000 0.528 396 H N -0.124 118.919 119.070 -0.045 0.000 2.547 396 H HA 0.226 4.782 4.556 -0.000 0.000 0.272 396 H C 1.691 176.982 175.328 -0.060 0.000 0.971 396 H CA 0.720 56.742 56.048 -0.044 0.000 1.245 396 H CB 0.428 30.172 29.762 -0.031 0.000 1.440 396 H HN 0.219 nan 8.280 nan 0.000 0.540 397 E N -0.231 119.994 120.200 0.042 0.000 2.022 397 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 397 E C -0.553 176.004 176.600 -0.071 0.000 0.973 397 E CA 0.792 57.184 56.400 -0.014 0.000 0.816 397 E CB -0.058 29.636 29.700 -0.011 0.000 0.781 397 E HN 0.324 nan 8.360 nan 0.000 0.456 398 P HA 0.073 nan 4.420 nan 0.000 0.225 398 P C -0.919 176.269 177.300 -0.187 0.000 1.142 398 P CA 0.111 63.130 63.100 -0.135 0.000 0.894 398 P CB 0.323 31.966 31.700 -0.095 0.000 0.895 399 E N 1.969 122.096 120.200 -0.121 0.000 3.024 399 E HA 0.103 4.453 4.350 -0.000 0.000 0.224 399 E C 1.306 177.803 176.600 -0.172 0.000 1.135 399 E CA 1.413 57.749 56.400 -0.107 0.000 0.934 399 E CB -1.225 28.452 29.700 -0.038 0.000 0.977 399 E HN 0.304 nan 8.360 nan 0.000 0.537 400 G N 2.965 111.620 108.800 -0.242 0.000 2.578 400 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.275 400 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.275 400 G C 0.680 175.246 174.900 -0.558 0.000 1.271 400 G CA 0.228 45.158 45.100 -0.284 0.000 0.941 400 G HN 0.407 nan 8.290 nan 0.000 0.564 401 F N 1.153 121.042 119.950 -0.101 0.000 2.000 401 F HA 0.149 4.676 4.527 -0.000 0.000 0.296 401 F C 1.878 177.582 175.800 -0.159 0.000 1.159 401 F CA 2.355 60.280 58.000 -0.125 0.000 1.183 401 F CB -0.163 38.768 39.000 -0.115 0.000 0.959 401 F HN 0.324 nan 8.300 nan 0.000 0.490 402 K N -0.189 120.174 120.400 -0.061 0.000 2.571 402 K HA 0.258 4.578 4.320 -0.000 0.000 0.252 402 K C -2.886 173.557 176.600 -0.263 0.000 0.956 402 K CA -1.699 54.459 56.287 -0.214 0.000 0.822 402 K CB 2.730 35.012 32.500 -0.364 0.000 1.286 402 K HN -0.172 nan 8.250 nan 0.000 0.439 403 P HA 0.160 nan 4.420 nan 0.000 0.281 403 P C -0.733 176.593 177.300 0.043 0.000 1.249 403 P CA -0.665 62.253 63.100 -0.303 0.000 0.810 403 P CB 0.602 32.321 31.700 0.032 0.000 1.008 404 R N 1.420 122.007 120.500 0.146 0.000 2.500 404 R HA 0.031 4.371 4.340 -0.000 0.000 0.281 404 R C 0.682 177.167 176.300 0.308 0.000 0.953 404 R CA 0.342 56.618 56.100 0.295 0.000 1.108 404 R CB -0.568 29.931 30.300 0.332 0.000 0.901 404 R HN 0.470 nan 8.270 nan 0.000 0.410 405 A N 2.738 125.750 122.820 0.320 0.000 2.248 405 A HA -0.120 4.200 4.320 -0.000 0.000 0.210 405 A C 0.671 178.306 177.584 0.085 0.000 1.174 405 A CA 1.098 53.245 52.037 0.183 0.000 0.750 405 A CB -0.341 18.558 19.000 -0.168 0.000 0.780 405 A HN 0.915 nan 8.150 nan 0.000 0.478 406 D N -1.346 119.110 120.400 0.093 0.000 2.501 406 D HA 0.041 4.681 4.640 -0.000 0.000 0.224 406 D C 1.071 177.276 176.300 -0.158 0.000 1.202 406 D CA 0.042 54.057 54.000 0.026 0.000 0.829 406 D CB -0.119 40.767 40.800 0.142 0.000 1.023 406 D HN 0.220 nan 8.370 nan 0.000 0.499 407 K N 1.348 121.707 120.400 -0.069 0.000 2.160 407 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 407 K C 1.667 178.136 176.600 -0.219 0.000 1.047 407 K CA 1.863 58.072 56.287 -0.130 0.000 0.930 407 K CB -0.591 31.944 32.500 0.058 0.000 0.720 407 K HN 0.173 nan 8.250 nan 0.000 0.450 408 G N -0.606 108.102 108.800 -0.153 0.000 3.277 408 G HA2 0.035 3.994 3.960 -0.000 0.000 0.243 408 G HA3 0.035 3.994 3.960 -0.000 0.000 0.243 408 G C 0.764 175.576 174.900 -0.147 0.000 1.107 408 G CA -0.334 44.687 45.100 -0.132 0.000 0.771 408 G HN 0.244 nan 8.290 nan 0.000 0.544 409 K N -0.384 119.869 120.400 -0.244 0.000 2.228 409 K HA 0.204 4.524 4.320 -0.000 0.000 0.202 409 K C 0.108 176.772 176.600 0.106 0.000 1.051 409 K CA 0.513 56.771 56.287 -0.049 0.000 0.960 409 K CB 0.061 32.617 32.500 0.093 0.000 0.743 409 K HN 0.515 nan 8.250 nan 0.000 0.458 410 F N -4.738 115.252 119.950 0.067 0.000 2.715 410 F HA 0.276 4.803 4.527 -0.000 0.000 0.318 410 F C 0.502 176.385 175.800 0.138 0.000 1.141 410 F CA -1.495 56.565 58.000 0.100 0.000 0.950 410 F CB 0.175 39.216 39.000 0.069 0.000 1.374 410 F HN -0.291 nan 8.300 nan 0.000 0.477 411 F N 1.750 121.873 119.950 0.289 0.000 2.098 411 F HA 0.404 4.931 4.527 -0.000 0.000 0.294 411 F C 1.535 177.479 175.800 0.240 0.000 1.107 411 F CA 1.080 59.212 58.000 0.219 0.000 1.234 411 F CB -0.496 38.673 39.000 0.282 0.000 1.002 411 F HN 0.683 nan 8.300 nan 0.000 0.472 412 A N 0.889 124.067 122.820 0.596 0.000 2.455 412 A HA 0.139 4.459 4.320 -0.000 0.000 0.244 412 A C 1.164 178.890 177.584 0.236 0.000 1.099 412 A CA 0.086 52.371 52.037 0.414 0.000 0.786 412 A CB 0.100 19.295 19.000 0.325 0.000 1.051 412 A HN 0.545 nan 8.150 nan 0.000 0.508 413 R N 0.270 120.855 120.500 0.142 0.000 2.334 413 R HA 0.094 4.434 4.340 -0.000 0.000 0.216 413 R C 0.185 176.545 176.300 0.099 0.000 0.905 413 R CA 0.611 56.733 56.100 0.037 0.000 1.064 413 R CB -1.912 28.371 30.300 -0.027 0.000 1.046 413 R HN 0.539 nan 8.270 nan 0.000 0.508 414 S N 0.376 116.183 115.700 0.179 0.000 2.585 414 S HA 0.164 4.634 4.470 -0.000 0.000 0.273 414 S C 0.094 174.822 174.600 0.214 0.000 1.339 414 S CA -0.395 57.886 58.200 0.135 0.000 1.028 414 S CB 1.129 64.362 63.200 0.055 0.000 0.906 414 S HN 0.164 nan 8.310 nan 0.000 0.528 415 T N 1.548 116.188 114.554 0.143 0.000 2.851 415 T HA 0.480 4.830 4.350 -0.000 0.000 0.298 415 T C -0.010 174.755 174.700 0.109 0.000 0.977 415 T CA -0.239 61.962 62.100 0.169 0.000 1.126 415 T CB 0.028 68.982 68.868 0.143 0.000 0.916 415 T HN 0.855 nan 8.240 nan 0.000 0.529 416 A N 5.149 128.067 122.820 0.163 0.000 2.277 416 A HA 0.432 4.752 4.320 -0.000 0.000 0.318 416 A C 1.368 178.895 177.584 -0.095 0.000 1.339 416 A CA -0.631 51.390 52.037 -0.027 0.000 0.875 416 A CB -0.024 18.925 19.000 -0.086 0.000 1.158 416 A HN 1.044 nan 8.150 nan 0.000 0.514 417 I N 2.036 122.445 120.570 -0.268 0.000 2.236 417 I HA -0.399 3.771 4.170 -0.000 0.000 0.249 417 I C 2.379 178.249 176.117 -0.413 0.000 1.102 417 I CA 2.483 63.455 61.300 -0.546 0.000 1.365 417 I CB 0.183 37.731 38.000 -0.753 0.000 1.051 417 I HN 0.898 nan 8.210 nan 0.000 0.420 418 Q N -0.354 119.263 119.800 -0.306 0.000 2.378 418 Q HA -0.088 4.252 4.340 -0.000 0.000 0.205 418 Q C 1.657 177.619 176.000 -0.064 0.000 0.954 418 Q CA 0.919 56.576 55.803 -0.243 0.000 0.901 418 Q CB -0.245 28.236 28.738 -0.427 0.000 0.981 418 Q HN 0.436 nan 8.270 nan 0.000 0.483 419 E N 0.778 120.984 120.200 0.009 0.000 2.340 419 E HA 0.091 4.441 4.350 -0.000 0.000 0.194 419 E C 1.404 178.067 176.600 0.105 0.000 0.996 419 E CA 0.399 56.867 56.400 0.113 0.000 0.869 419 E CB 0.234 30.066 29.700 0.220 0.000 0.835 419 E HN 0.441 nan 8.360 nan 0.000 0.493 420 L N 0.861 122.157 121.223 0.122 0.000 2.645 420 L HA 0.129 4.469 4.340 -0.000 0.000 0.235 420 L C 1.854 178.813 176.870 0.147 0.000 1.150 420 L CA 0.152 55.080 54.840 0.147 0.000 0.911 420 L CB -0.161 42.058 42.059 0.266 0.000 1.077 420 L HN 0.003 nan 8.230 nan 0.000 0.438 421 I N -0.639 120.007 120.570 0.126 0.000 3.462 421 I HA -0.072 4.097 4.170 -0.000 0.000 0.290 421 I C 2.310 178.446 176.117 0.033 0.000 1.236 421 I CA 0.574 61.932 61.300 0.097 0.000 1.418 421 I CB 0.023 38.074 38.000 0.085 0.000 1.102 421 I HN 0.399 nan 8.210 nan 0.000 0.441 422 E N 2.197 122.415 120.200 0.030 0.000 2.072 422 E HA -0.151 4.199 4.350 -0.000 0.000 0.190 422 E C -0.708 175.876 176.600 -0.027 0.000 0.982 422 E CA 0.924 57.329 56.400 0.009 0.000 0.803 422 E CB -0.480 29.235 29.700 0.024 0.000 0.755 422 E HN 0.201 nan 8.360 nan 0.000 0.453 423 P HA -0.164 nan 4.420 nan 0.000 0.218 423 P C 1.036 178.265 177.300 -0.118 0.000 1.146 423 P CA 1.569 64.588 63.100 -0.135 0.000 0.813 423 P CB -0.088 31.469 31.700 -0.239 0.000 0.778 424 M N -2.971 116.580 119.600 -0.082 0.000 2.506 424 M HA 0.036 4.516 4.480 -0.000 0.000 0.260 424 M C 1.629 177.900 176.300 -0.048 0.000 1.104 424 M CA 1.106 56.359 55.300 -0.078 0.000 1.112 424 M CB -0.217 32.338 32.600 -0.074 0.000 1.401 424 M HN -0.073 nan 8.290 nan 0.000 0.473 425 I N -0.791 119.760 120.570 -0.031 0.000 2.685 425 I HA -0.079 4.091 4.170 -0.000 0.000 0.251 425 I C 2.459 178.570 176.117 -0.009 0.000 1.102 425 I CA 1.191 62.483 61.300 -0.013 0.000 1.442 425 I CB -0.202 37.796 38.000 -0.005 0.000 1.194 425 I HN 0.255 nan 8.210 nan 0.000 0.448 426 T N -2.022 112.525 114.554 -0.013 0.000 3.057 426 T HA 0.229 4.579 4.350 -0.000 0.000 0.254 426 T C 1.675 176.372 174.700 -0.005 0.000 1.094 426 T CA 0.537 62.634 62.100 -0.004 0.000 1.088 426 T CB 0.320 69.186 68.868 -0.003 0.000 0.934 426 T HN 0.501 nan 8.240 nan 0.000 0.497 427 G N 1.116 109.900 108.800 -0.026 0.000 2.155 427 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 427 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 427 G C 0.202 175.093 174.900 -0.015 0.000 0.983 427 G CA 0.503 45.591 45.100 -0.020 0.000 0.676 427 G HN 0.638 nan 8.290 nan 0.000 0.528 428 E N 1.339 121.522 120.200 -0.027 0.000 4.442 428 E HA 0.173 4.523 4.350 -0.000 0.000 0.560 428 E C -1.438 175.141 176.600 -0.034 0.000 1.511 428 E CA -0.306 56.088 56.400 -0.011 0.000 3.706 428 E CB -0.448 29.248 29.700 -0.007 0.000 1.276 428 E HN 0.215 nan 8.360 nan 0.000 0.419 429 P HA -0.231 nan 4.420 nan 0.000 0.056 429 P C -0.574 176.718 177.300 -0.013 0.000 0.542 429 P CA 1.428 64.566 63.100 0.063 0.000 1.074 429 P CB -1.529 30.174 31.700 0.005 0.000 1.758 430 Y N -1.224 119.111 120.300 0.059 0.000 2.925 430 Y HA -0.243 4.307 4.550 -0.000 0.000 0.464 430 Y C -3.008 172.927 175.900 0.058 0.000 1.216 430 Y CA -0.361 57.783 58.100 0.074 0.000 2.434 430 Y CB -2.138 36.372 38.460 0.085 0.000 1.252 430 Y HN 0.257 nan 8.280 nan 0.000 0.636 431 P HA 0.637 nan 4.420 nan 0.000 0.328 431 P C -1.495 175.751 177.300 -0.090 0.000 1.512 431 P CA -0.506 62.570 63.100 -0.040 0.000 1.268 431 P CB 2.529 34.188 31.700 -0.068 0.000 1.766 432 I N 2.827 123.295 120.570 -0.170 0.000 2.390 432 I HA 0.338 4.508 4.170 -0.000 0.000 0.283 432 I C 0.444 176.452 176.117 -0.181 0.000 1.016 432 I CA -0.471 60.751 61.300 -0.131 0.000 1.151 432 I CB 0.918 38.848 38.000 -0.117 0.000 1.293 432 I HN 0.012 nan 8.210 nan 0.000 0.458 433 K N 4.218 124.475 120.400 -0.238 0.000 2.132 433 K HA 0.695 5.015 4.320 -0.000 0.000 0.241 433 K C 0.131 176.655 176.600 -0.127 0.000 1.000 433 K CA -0.701 55.458 56.287 -0.214 0.000 0.911 433 K CB 1.326 33.620 32.500 -0.344 0.000 1.093 433 K HN 0.711 nan 8.250 nan 0.000 0.460 434 G N 0.526 109.276 108.800 -0.084 0.000 3.177 434 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.682 434 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.682 434 G C -1.140 173.666 174.900 -0.156 0.000 1.002 434 G CA -0.346 44.703 45.100 -0.085 0.000 0.910 434 G HN 0.472 nan 8.290 nan 0.000 0.538 435 L N 2.423 123.560 121.223 -0.144 0.000 2.513 435 L HA 0.887 5.227 4.340 -0.000 0.000 0.261 435 L C -1.278 175.537 176.870 -0.092 0.000 0.945 435 L CA -1.137 53.576 54.840 -0.211 0.000 0.848 435 L CB 1.678 43.557 42.059 -0.299 0.000 1.334 435 L HN 0.514 nan 8.230 nan 0.000 0.407 436 F N 3.469 123.247 119.950 -0.288 0.000 2.450 436 F HA 0.806 5.333 4.527 -0.000 0.000 0.332 436 F C 0.394 176.237 175.800 0.072 0.000 1.093 436 F CA -0.121 57.842 58.000 -0.061 0.000 1.003 436 F CB 2.263 41.270 39.000 0.013 0.000 1.151 436 F HN 0.620 nan 8.300 nan 0.000 0.474 437 A N 3.915 126.924 122.820 0.316 0.000 2.483 437 A HA 0.398 4.718 4.320 -0.000 0.000 0.308 437 A C -1.875 175.879 177.584 0.283 0.000 1.291 437 A CA -0.472 51.764 52.037 0.331 0.000 0.774 437 A CB -0.239 18.990 19.000 0.382 0.000 1.134 437 A HN 0.648 nan 8.150 nan 0.000 0.471 438 Y N 2.406 122.835 120.300 0.214 0.000 2.454 438 Y HA 0.432 4.982 4.550 -0.000 0.000 0.345 438 Y C 1.123 177.118 175.900 0.157 0.000 0.970 438 Y CA 0.259 58.408 58.100 0.083 0.000 1.204 438 Y CB 0.646 39.117 38.460 0.019 0.000 1.122 438 Y HN 1.271 nan 8.280 nan 0.000 0.514 439 G N 6.881 115.420 108.800 -0.434 0.000 2.393 439 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.299 439 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.299 439 G C -0.506 174.411 174.900 0.030 0.000 0.990 439 G CA 0.599 45.543 45.100 -0.259 0.000 1.118 439 G HN 0.704 nan 8.290 nan 0.000 0.513 440 I N -0.352 120.259 120.570 0.069 0.000 2.607 440 I HA 0.347 4.517 4.170 -0.000 0.000 0.290 440 I C -0.497 175.506 176.117 -0.190 0.000 1.129 440 I CA -1.156 60.171 61.300 0.044 0.000 1.042 440 I CB 1.684 39.739 38.000 0.092 0.000 1.242 440 I HN 0.142 nan 8.210 nan 0.000 0.421 441 N N 6.912 125.499 118.700 -0.188 0.000 2.508 441 N HA 0.232 4.972 4.740 -0.000 0.000 0.253 441 N C 1.302 176.547 175.510 -0.442 0.000 1.145 441 N CA -0.281 52.544 53.050 -0.376 0.000 0.973 441 N CB 0.509 38.976 38.487 -0.033 0.000 1.305 441 N HN 0.599 nan 8.380 nan 0.000 0.506 442 L N 1.932 122.649 121.223 -0.842 0.000 2.043 442 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 442 L C 1.145 177.936 176.870 -0.132 0.000 1.075 442 L CA 1.455 56.033 54.840 -0.436 0.000 0.752 442 L CB -0.325 41.417 42.059 -0.528 0.000 0.891 442 L HN 0.666 nan 8.230 nan 0.000 0.432 443 F N -2.337 117.503 119.950 -0.183 0.000 2.765 443 F HA 0.022 4.549 4.527 -0.000 0.000 0.302 443 F C 2.117 177.736 175.800 -0.301 0.000 1.111 443 F CA -0.136 57.720 58.000 -0.240 0.000 1.359 443 F CB 0.112 39.032 39.000 -0.133 0.000 1.097 443 F HN 0.203 nan 8.300 nan 0.000 0.577 444 H N -2.131 116.961 119.070 0.037 0.000 3.205 444 H HA 0.197 4.753 4.556 -0.000 0.000 0.252 444 H C 1.494 176.840 175.328 0.031 0.000 1.015 444 H CA 0.414 56.504 56.048 0.070 0.000 1.192 444 H CB 0.738 30.549 29.762 0.081 0.000 1.474 444 H HN 0.044 nan 8.280 nan 0.000 0.484 445 S N 0.577 116.289 115.700 0.021 0.000 2.524 445 S HA 0.248 4.718 4.470 -0.000 0.000 0.215 445 S C 0.642 175.118 174.600 -0.208 0.000 0.986 445 S CA 0.017 58.145 58.200 -0.119 0.000 0.911 445 S CB 0.819 63.936 63.200 -0.139 0.000 0.805 445 S HN 0.134 nan 8.310 nan 0.000 0.501 446 I N 3.389 123.841 120.570 -0.197 0.000 2.436 446 I HA 0.375 4.545 4.170 -0.000 0.000 0.289 446 I C -2.590 173.387 176.117 -0.233 0.000 1.010 446 I CA -2.642 58.515 61.300 -0.238 0.000 1.098 446 I CB 2.299 40.174 38.000 -0.207 0.000 1.266 446 I HN -0.107 nan 8.210 nan 0.000 0.434 447 P HA 0.072 nan 4.420 nan 0.000 0.274 447 P C -0.298 176.920 177.300 -0.136 0.000 1.256 447 P CA -0.186 62.791 63.100 -0.204 0.000 0.795 447 P CB 0.479 32.074 31.700 -0.176 0.000 1.038 448 N N -0.379 118.250 118.700 -0.118 0.000 2.725 448 N HA -0.118 4.622 4.740 -0.000 0.000 0.256 448 N C 0.587 175.982 175.510 -0.192 0.000 1.087 448 N CA 0.477 53.466 53.050 -0.102 0.000 0.690 448 N CB -1.558 36.937 38.487 0.014 0.000 0.891 448 N HN 0.057 nan 8.380 nan 0.000 0.553 449 V N 0.519 120.226 119.914 -0.345 0.000 2.453 449 V HA -0.181 3.939 4.120 -0.000 0.000 0.252 449 V C -0.532 175.318 176.094 -0.407 0.000 1.068 449 V CA 2.276 64.277 62.300 -0.498 0.000 1.070 449 V CB -0.869 30.356 31.823 -0.996 0.000 0.664 449 V HN 0.419 nan 8.190 nan 0.000 0.461 450 P HA -0.139 nan 4.420 nan 0.000 0.217 450 P C 1.773 178.998 177.300 -0.125 0.000 1.150 450 P CA 1.303 64.298 63.100 -0.176 0.000 0.832 450 P CB -0.108 31.534 31.700 -0.096 0.000 0.787 451 R N -0.464 119.976 120.500 -0.100 0.000 2.081 451 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 451 R C 1.723 177.986 176.300 -0.061 0.000 1.131 451 R CA 1.918 57.985 56.100 -0.056 0.000 0.960 451 R CB -0.859 29.426 30.300 -0.025 0.000 0.856 451 R HN 0.104 nan 8.270 nan 0.000 0.436 452 T N 1.021 115.516 114.554 -0.097 0.000 2.833 452 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 452 T C 1.501 176.149 174.700 -0.087 0.000 1.054 452 T CA 1.351 63.410 62.100 -0.067 0.000 1.135 452 T CB 0.012 68.859 68.868 -0.035 0.000 0.869 452 T HN 0.375 nan 8.240 nan 0.000 0.466 453 K N 0.857 121.143 120.400 -0.190 0.000 2.167 453 K HA 0.036 4.356 4.320 -0.000 0.000 0.203 453 K C 2.343 179.007 176.600 0.106 0.000 1.052 453 K CA 0.644 56.822 56.287 -0.182 0.000 0.956 453 K CB -0.010 32.275 32.500 -0.360 0.000 0.735 453 K HN 0.381 nan 8.250 nan 0.000 0.451 454 E N 0.975 121.200 120.200 0.043 0.000 2.051 454 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 454 E C 2.055 178.689 176.600 0.057 0.000 0.991 454 E CA 1.088 57.526 56.400 0.063 0.000 0.799 454 E CB -0.022 29.692 29.700 0.023 0.000 0.748 454 E HN 0.301 nan 8.360 nan 0.000 0.449 455 A N 0.936 123.768 122.820 0.019 0.000 1.933 455 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 455 A C 2.155 179.737 177.584 -0.002 0.000 1.175 455 A CA 0.955 52.990 52.037 -0.004 0.000 0.628 455 A CB -0.524 18.461 19.000 -0.025 0.000 0.814 455 A HN 0.180 nan 8.150 nan 0.000 0.444 456 L N -1.429 119.812 121.223 0.031 0.000 2.156 456 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 456 L C 2.471 179.441 176.870 0.167 0.000 1.095 456 L CA 1.197 56.072 54.840 0.058 0.000 0.770 456 L CB -0.440 41.712 42.059 0.154 0.000 0.914 456 L HN 0.171 nan 8.230 nan 0.000 0.439 457 K N 0.624 121.147 120.400 0.204 0.000 2.020 457 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 457 K C 1.831 178.480 176.600 0.081 0.000 1.050 457 K CA 1.355 57.731 56.287 0.149 0.000 0.929 457 K CB -0.356 32.224 32.500 0.133 0.000 0.714 457 K HN 0.062 nan 8.250 nan 0.000 0.443 458 N N 0.169 118.902 118.700 0.055 0.000 2.521 458 N HA 0.009 4.749 4.740 -0.000 0.000 0.188 458 N C -0.409 175.106 175.510 0.009 0.000 1.146 458 N CA 0.249 53.315 53.050 0.026 0.000 0.893 458 N CB 0.022 38.515 38.487 0.010 0.000 0.975 458 N HN 0.082 nan 8.380 nan 0.000 0.451 459 L N 0.035 121.269 121.223 0.017 0.000 2.418 459 L HA 0.125 4.465 4.340 -0.000 0.000 0.265 459 L C 1.195 178.077 176.870 0.019 0.000 1.143 459 L CA -0.482 54.356 54.840 -0.002 0.000 0.809 459 L CB 0.766 42.827 42.059 0.003 0.000 1.124 459 L HN -0.072 nan 8.230 nan 0.000 0.456 460 D N 0.767 121.167 120.400 0.000 0.000 2.216 460 D HA 0.125 4.765 4.640 -0.000 0.000 0.208 460 D C -0.110 176.206 176.300 0.027 0.000 0.960 460 D CA 0.980 54.994 54.000 0.023 0.000 0.861 460 D CB 0.526 41.346 40.800 0.033 0.000 0.985 460 D HN 0.126 nan 8.370 nan 0.000 0.493 461 L N 0.030 121.262 121.223 0.014 0.000 2.464 461 L HA 0.385 4.725 4.340 -0.000 0.000 0.266 461 L C -2.085 174.802 176.870 0.028 0.000 0.965 461 L CA -0.982 53.861 54.840 0.005 0.000 0.833 461 L CB 2.259 44.296 42.059 -0.038 0.000 1.296 461 L HN -0.147 nan 8.230 nan 0.000 0.405 462 Y N 5.613 125.836 120.300 -0.128 0.000 2.333 462 Y HA 0.721 5.271 4.550 -0.000 0.000 0.324 462 Y C -1.803 173.961 175.900 -0.227 0.000 1.033 462 Y CA -1.175 56.823 58.100 -0.170 0.000 1.224 462 Y CB 1.288 39.715 38.460 -0.055 0.000 1.120 462 Y HN 0.375 nan 8.280 nan 0.000 0.457 463 V N 4.856 124.383 119.914 -0.646 0.000 2.547 463 V HA 0.940 5.060 4.120 -0.000 0.000 0.299 463 V C -0.169 175.541 176.094 -0.641 0.000 1.040 463 V CA -0.453 61.379 62.300 -0.780 0.000 0.913 463 V CB 1.323 32.548 31.823 -0.997 0.000 0.992 463 V HN 0.946 nan 8.190 nan 0.000 0.449 464 A N 5.282 127.795 122.820 -0.511 0.000 2.359 464 A HA 0.862 5.182 4.320 -0.000 0.000 0.303 464 A C -0.886 176.599 177.584 -0.166 0.000 1.066 464 A CA -0.501 51.384 52.037 -0.253 0.000 0.730 464 A CB 0.932 19.767 19.000 -0.275 0.000 1.211 464 A HN 0.753 nan 8.150 nan 0.000 0.439 465 I N 2.546 123.075 120.570 -0.067 0.000 2.355 465 I HA 0.484 4.654 4.170 -0.000 0.000 0.288 465 I C -0.580 175.467 176.117 -0.117 0.000 0.999 465 I CA -0.269 61.002 61.300 -0.047 0.000 1.163 465 I CB 1.344 39.356 38.000 0.020 0.000 1.316 465 I HN 0.666 nan 8.210 nan 0.000 0.454 466 D N 3.480 123.826 120.400 -0.091 0.000 2.838 466 D HA 0.374 5.014 4.640 -0.000 0.000 0.334 466 D C -0.118 176.148 176.300 -0.056 0.000 1.315 466 D CA -0.275 53.666 54.000 -0.099 0.000 0.917 466 D CB 2.827 43.568 40.800 -0.099 0.000 1.435 466 D HN 0.173 nan 8.370 nan 0.000 0.517 467 V N 0.002 119.888 119.914 -0.047 0.000 3.219 467 V HA 0.284 4.404 4.120 -0.000 0.000 0.240 467 V C 0.655 176.718 176.094 -0.051 0.000 1.222 467 V CA 0.268 62.551 62.300 -0.029 0.000 1.181 467 V CB 0.571 32.390 31.823 -0.006 0.000 0.941 467 V HN 0.302 nan 8.190 nan 0.000 0.471 468 L N 1.628 122.817 121.223 -0.057 0.000 2.358 468 L HA 0.476 4.816 4.340 -0.000 0.000 0.268 468 L C -2.423 174.391 176.870 -0.093 0.000 1.032 468 L CA -1.753 53.048 54.840 -0.065 0.000 0.805 468 L CB 1.174 43.203 42.059 -0.050 0.000 1.253 468 L HN -0.020 nan 8.230 nan 0.000 0.452 469 P HA 0.164 nan 4.420 nan 0.000 0.226 469 P C -0.938 176.329 177.300 -0.054 0.000 1.832 469 P CA -0.384 62.651 63.100 -0.110 0.000 1.092 469 P CB 0.514 32.149 31.700 -0.108 0.000 1.873 470 Q N 0.929 120.694 119.800 -0.059 0.000 2.414 470 Q HA 0.051 4.391 4.340 -0.000 0.000 0.206 470 Q C 1.292 177.353 176.000 0.101 0.000 1.058 470 Q CA -0.123 55.712 55.803 0.053 0.000 1.025 470 Q CB 1.024 29.813 28.738 0.084 0.000 1.196 470 Q HN 0.426 nan 8.270 nan 0.000 0.586 471 E N 0.292 120.667 120.200 0.291 0.000 2.274 471 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 471 E C 1.368 178.147 176.600 0.298 0.000 0.996 471 E CA 1.092 57.738 56.400 0.410 0.000 0.840 471 E CB 0.117 30.187 29.700 0.618 0.000 0.772 471 E HN 0.671 nan 8.360 nan 0.000 0.491 472 H N -2.564 116.401 119.070 -0.175 0.000 2.551 472 H HA 0.185 4.741 4.556 -0.000 0.000 0.271 472 H C 1.510 176.768 175.328 -0.117 0.000 0.984 472 H CA 0.281 55.878 56.048 -0.752 0.000 1.164 472 H CB 0.368 29.333 29.762 -1.328 0.000 1.437 472 H HN -0.052 nan 8.280 nan 0.000 0.550 473 V N 0.721 120.167 119.914 -0.780 0.000 2.649 473 V HA -0.070 4.050 4.120 -0.000 0.000 0.248 473 V C 1.449 177.439 176.094 -0.173 0.000 1.054 473 V CA 0.948 62.938 62.300 -0.517 0.000 1.073 473 V CB -0.149 31.384 31.823 -0.483 0.000 0.699 473 V HN 0.482 nan 8.190 nan 0.000 0.463 474 M N -1.602 118.007 119.600 0.015 0.000 2.608 474 M HA 0.104 4.584 4.480 -0.000 0.000 0.224 474 M C 0.633 177.218 176.300 0.474 0.000 1.204 474 M CA 0.279 55.682 55.300 0.170 0.000 0.984 474 M CB -1.187 31.512 32.600 0.166 0.000 1.691 474 M HN 0.464 nan 8.290 nan 0.000 0.469 475 W N 0.490 121.921 121.300 0.219 0.000 2.862 475 W HA 0.499 5.159 4.660 -0.000 0.000 0.376 475 W C 0.652 177.386 176.519 0.358 0.000 1.028 475 W CA -0.674 56.872 57.345 0.335 0.000 1.757 475 W CB 0.262 29.984 29.460 0.437 0.000 1.128 475 W HN 0.104 nan 8.180 nan 0.000 0.566 476 A N 0.706 123.701 122.820 0.292 0.000 2.316 476 A HA 0.415 4.735 4.320 -0.000 0.000 0.284 476 A C -0.138 177.455 177.584 0.014 0.000 1.115 476 A CA -0.386 51.533 52.037 -0.198 0.000 0.812 476 A CB 0.378 18.970 19.000 -0.680 0.000 1.064 476 A HN 0.031 nan 8.150 nan 0.000 0.489 477 D N 1.677 122.027 120.400 -0.083 0.000 2.339 477 D HA 0.397 5.037 4.640 -0.000 0.000 0.241 477 D C -0.124 176.117 176.300 -0.099 0.000 1.183 477 D CA 0.375 54.358 54.000 -0.028 0.000 0.859 477 D CB 0.753 41.568 40.800 0.026 0.000 1.067 477 D HN 0.600 nan 8.370 nan 0.000 0.484 478 V N 1.807 121.681 119.914 -0.067 0.000 3.419 478 V HA -0.248 3.872 4.120 -0.000 0.000 0.488 478 V C -0.170 175.779 176.094 -0.241 0.000 0.682 478 V CA 0.105 62.314 62.300 -0.152 0.000 2.031 478 V CB -1.454 30.287 31.823 -0.137 0.000 2.473 478 V HN 0.548 nan 8.190 nan 0.000 0.503 479 I N 5.590 126.002 120.570 -0.263 0.000 2.406 479 I HA 0.663 4.833 4.170 -0.000 0.000 0.290 479 I C -0.088 175.860 176.117 -0.281 0.000 0.999 479 I CA -0.525 60.588 61.300 -0.312 0.000 1.124 479 I CB 1.763 39.514 38.000 -0.415 0.000 1.289 479 I HN 0.475 nan 8.210 nan 0.000 0.441 480 L N 8.217 129.321 121.223 -0.199 0.000 2.325 480 L HA 0.506 4.846 4.340 -0.000 0.000 0.281 480 L C -2.461 174.403 176.870 -0.011 0.000 1.004 480 L CA -1.845 52.901 54.840 -0.158 0.000 0.823 480 L CB 1.699 43.812 42.059 0.090 0.000 1.236 480 L HN 0.294 nan 8.230 nan 0.000 0.415 481 P HA 0.165 nan 4.420 nan 0.000 0.286 481 P C -0.601 176.859 177.300 0.266 0.000 1.321 481 P CA -0.211 62.944 63.100 0.091 0.000 0.790 481 P CB 1.136 32.857 31.700 0.035 0.000 0.897 482 E N 2.446 122.751 120.200 0.175 0.000 2.374 482 E HA 0.441 4.791 4.350 -0.000 0.000 0.260 482 E C -0.215 176.461 176.600 0.128 0.000 1.101 482 E CA -0.702 55.806 56.400 0.180 0.000 0.907 482 E CB 0.988 30.792 29.700 0.174 0.000 1.014 482 E HN 0.458 nan 8.360 nan 0.000 0.427 483 A N 2.327 125.202 122.820 0.092 0.000 2.316 483 A HA 0.273 4.593 4.320 -0.000 0.000 0.284 483 A C 0.148 177.771 177.584 0.065 0.000 1.115 483 A CA -0.336 51.729 52.037 0.047 0.000 0.812 483 A CB 1.327 20.315 19.000 -0.020 0.000 1.064 483 A HN 0.582 nan 8.150 nan 0.000 0.489 484 T N 0.233 114.797 114.554 0.018 0.000 2.868 484 T HA 0.294 4.644 4.350 -0.000 0.000 0.292 484 T C 1.250 175.962 174.700 0.019 0.000 1.028 484 T CA 0.584 62.700 62.100 0.026 0.000 1.059 484 T CB 0.046 68.873 68.868 -0.069 0.000 0.991 484 T HN 0.652 nan 8.240 nan 0.000 0.531 485 Y N 2.409 122.700 120.300 -0.015 0.000 2.365 485 Y HA -0.047 4.503 4.550 -0.000 0.000 0.287 485 Y C 1.520 177.383 175.900 -0.062 0.000 1.162 485 Y CA 1.208 59.310 58.100 0.003 0.000 1.260 485 Y CB -0.622 37.857 38.460 0.031 0.000 0.976 485 Y HN 0.467 nan 8.280 nan 0.000 0.548 486 L N 0.402 121.174 121.223 -0.751 0.000 2.446 486 L HA 0.055 4.395 4.340 -0.000 0.000 0.219 486 L C 1.229 177.776 176.870 -0.538 0.000 1.116 486 L CA 0.639 55.060 54.840 -0.697 0.000 0.844 486 L CB -0.138 41.440 42.059 -0.802 0.000 0.970 486 L HN 0.256 nan 8.230 nan 0.000 0.457 487 E N -0.002 119.933 120.200 -0.442 0.000 2.499 487 E HA 0.144 4.494 4.350 -0.000 0.000 0.199 487 E C 0.334 176.825 176.600 -0.182 0.000 1.016 487 E CA -0.154 56.014 56.400 -0.387 0.000 0.933 487 E CB 0.587 30.107 29.700 -0.299 0.000 1.050 487 E HN 0.145 nan 8.360 nan 0.000 0.462 488 R N 0.500 120.923 120.500 -0.128 0.000 2.771 488 R HA 0.321 4.661 4.340 -0.000 0.000 0.274 488 R C -1.676 174.660 176.300 0.060 0.000 0.987 488 R CA -0.533 55.588 56.100 0.035 0.000 0.908 488 R CB 1.333 31.697 30.300 0.107 0.000 1.213 488 R HN -0.009 nan 8.270 nan 0.000 0.468 489 Y N 0.824 121.250 120.300 0.211 0.000 2.419 489 Y HA 0.354 4.904 4.550 -0.000 0.000 0.328 489 Y C 0.127 176.143 175.900 0.194 0.000 1.162 489 Y CA -0.052 58.119 58.100 0.118 0.000 1.174 489 Y CB 1.796 40.264 38.460 0.013 0.000 1.228 489 Y HN 0.497 nan 8.280 nan 0.000 0.473 490 D N 0.660 121.232 120.400 0.288 0.000 2.581 490 D HA 0.088 4.728 4.640 -0.000 0.000 0.232 490 D C -1.464 174.865 176.300 0.050 0.000 1.143 490 D CA -0.578 53.578 54.000 0.260 0.000 0.881 490 D CB 2.026 42.984 40.800 0.264 0.000 1.500 490 D HN 0.499 nan 8.370 nan 0.000 0.458 491 D N 0.236 120.692 120.400 0.094 0.000 2.419 491 D HA 0.003 4.643 4.640 -0.000 0.000 0.236 491 D C -0.054 176.201 176.300 -0.075 0.000 1.165 491 D CA 0.253 54.234 54.000 -0.031 0.000 0.882 491 D CB 0.323 41.069 40.800 -0.090 0.000 1.201 491 D HN 0.060 nan 8.370 nan 0.000 0.443 492 F N 0.806 120.738 119.950 -0.030 0.000 2.586 492 F HA 0.098 4.625 4.527 -0.000 0.000 0.344 492 F C 0.888 176.634 175.800 -0.090 0.000 1.188 492 F CA -0.241 57.732 58.000 -0.044 0.000 1.359 492 F CB 0.232 39.185 39.000 -0.077 0.000 1.129 492 F HN -0.046 nan 8.300 nan 0.000 0.609 493 V N 4.068 124.070 119.914 0.147 0.000 2.334 493 V HA 0.300 4.420 4.120 -0.000 0.000 0.281 493 V C -0.167 175.889 176.094 -0.062 0.000 1.016 493 V CA -0.701 61.611 62.300 0.020 0.000 0.832 493 V CB 1.026 32.868 31.823 0.031 0.000 0.999 493 V HN 0.447 nan 8.190 nan 0.000 0.439 494 L N 5.817 126.960 121.223 -0.133 0.000 2.295 494 L HA 0.668 5.008 4.340 -0.000 0.000 0.285 494 L C -0.597 176.075 176.870 -0.330 0.000 1.035 494 L CA -0.740 53.965 54.840 -0.225 0.000 0.806 494 L CB 1.724 43.673 42.059 -0.184 0.000 1.214 494 L HN 0.308 nan 8.230 nan 0.000 0.426 495 V N 2.364 121.934 119.914 -0.575 0.000 2.407 495 V HA 0.466 4.586 4.120 -0.000 0.000 0.291 495 V C 0.454 176.274 176.094 -0.458 0.000 1.018 495 V CA -0.731 61.187 62.300 -0.637 0.000 0.842 495 V CB 1.598 32.723 31.823 -1.162 0.000 0.996 495 V HN 0.885 nan 8.190 nan 0.000 0.426 496 A N 4.472 127.167 122.820 -0.207 0.000 2.488 496 A HA 0.590 4.910 4.320 -0.000 0.000 0.249 496 A C -0.070 177.533 177.584 0.031 0.000 1.083 496 A CA 0.382 52.380 52.037 -0.067 0.000 0.768 496 A CB -0.006 18.986 19.000 -0.013 0.000 1.017 496 A HN 1.012 nan 8.150 nan 0.000 0.496 497 H N 0.866 119.888 119.070 -0.080 0.000 2.917 497 H HA 0.188 4.744 4.556 -0.000 0.000 0.299 497 H C 0.607 175.817 175.328 -0.196 0.000 1.418 497 H CA -0.297 55.708 56.048 -0.072 0.000 1.138 497 H CB 1.095 30.796 29.762 -0.101 0.000 1.830 497 H HN 0.698 nan 8.280 nan 0.000 0.514 498 K N 0.032 119.816 120.400 -1.026 0.000 2.052 498 K HA -0.128 4.192 4.320 -0.000 0.000 0.215 498 K C 0.458 176.881 176.600 -0.295 0.000 1.053 498 K CA 2.340 58.045 56.287 -0.969 0.000 0.934 498 K CB -0.318 31.395 32.500 -1.310 0.000 0.717 498 K HN 0.561 nan 8.250 nan 0.000 0.450 499 T N 0.487 115.093 114.554 0.086 0.000 3.154 499 T HA 0.373 4.723 4.350 -0.000 0.000 0.381 499 T C -2.771 172.060 174.700 0.219 0.000 1.368 499 T CA -2.412 59.751 62.100 0.105 0.000 1.155 499 T CB 1.368 70.272 68.868 0.059 0.000 1.120 499 T HN -0.087 nan 8.240 nan 0.000 0.570 500 P HA 0.227 nan 4.420 nan 0.000 0.264 500 P C -0.579 176.792 177.300 0.118 0.000 1.179 500 P CA -0.003 63.132 63.100 0.058 0.000 0.763 500 P CB 0.034 31.730 31.700 -0.007 0.000 0.806 501 F N 0.222 120.098 119.950 -0.124 0.000 2.685 501 F HA 0.768 5.295 4.527 -0.000 0.000 0.315 501 F C -1.198 174.538 175.800 -0.106 0.000 1.126 501 F CA -1.467 56.455 58.000 -0.130 0.000 0.950 501 F CB 1.125 40.016 39.000 -0.181 0.000 1.360 501 F HN 0.006 nan 8.300 nan 0.000 0.469 502 I N 1.715 122.346 120.570 0.101 0.000 2.498 502 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 502 I C -1.120 175.106 176.117 0.182 0.000 1.032 502 I CA -0.694 60.626 61.300 0.033 0.000 1.073 502 I CB 2.166 40.130 38.000 -0.060 0.000 1.251 502 I HN 0.640 nan 8.210 nan 0.000 0.426 503 Q N 5.727 125.647 119.800 0.200 0.000 2.348 503 Q HA 0.670 5.010 4.340 -0.000 0.000 0.271 503 Q C -1.320 174.839 176.000 0.265 0.000 1.067 503 Q CA -0.972 54.971 55.803 0.234 0.000 0.839 503 Q CB 3.321 32.182 28.738 0.206 0.000 1.354 503 Q HN 0.425 nan 8.270 nan 0.000 0.447 504 L N 2.313 123.664 121.223 0.213 0.000 2.410 504 L HA 0.570 4.910 4.340 -0.000 0.000 0.270 504 L C -1.296 175.646 176.870 0.121 0.000 0.983 504 L CA -0.578 54.326 54.840 0.107 0.000 0.822 504 L CB 1.978 44.118 42.059 0.135 0.000 1.285 504 L HN 0.793 nan 8.230 nan 0.000 0.409 505 R N 2.432 122.981 120.500 0.082 0.000 2.514 505 R HA 0.727 5.067 4.340 -0.000 0.000 0.301 505 R C -1.232 175.079 176.300 0.019 0.000 0.962 505 R CA -0.471 55.684 56.100 0.092 0.000 0.882 505 R CB 1.806 32.180 30.300 0.123 0.000 1.143 505 R HN 0.523 nan 8.270 nan 0.000 0.452 506 T N 4.696 119.191 114.554 -0.099 0.000 2.856 506 T HA 0.437 4.787 4.350 -0.000 0.000 0.283 506 T C -2.562 171.877 174.700 -0.435 0.000 1.008 506 T CA -1.782 60.074 62.100 -0.406 0.000 0.997 506 T CB 1.898 70.669 68.868 -0.162 0.000 0.992 506 T HN 0.498 nan 8.240 nan 0.000 0.454 507 P HA 0.207 nan 4.420 nan 0.000 0.269 507 P C -0.103 177.035 177.300 -0.271 0.000 1.209 507 P CA -0.073 62.793 63.100 -0.390 0.000 0.776 507 P CB 0.511 32.005 31.700 -0.345 0.000 0.876 508 A N 2.489 125.148 122.820 -0.268 0.000 2.147 508 A HA 0.094 4.414 4.320 -0.000 0.000 0.211 508 A C 0.731 178.291 177.584 -0.040 0.000 1.160 508 A CA 0.998 52.937 52.037 -0.162 0.000 0.781 508 A CB -0.583 18.318 19.000 -0.165 0.000 0.842 508 A HN 0.804 nan 8.150 nan 0.000 0.475 509 H N -1.789 117.226 119.070 -0.092 0.000 2.921 509 H HA 0.310 4.866 4.556 -0.000 0.000 0.287 509 H C -1.634 173.656 175.328 -0.064 0.000 1.434 509 H CA -0.493 55.519 56.048 -0.059 0.000 1.178 509 H CB -0.007 29.734 29.762 -0.035 0.000 1.836 509 H HN 0.177 nan 8.280 nan 0.000 0.495 510 E N 1.376 121.683 120.200 0.179 0.000 2.373 510 E HA 0.343 4.693 4.350 -0.000 0.000 0.263 510 E C -2.638 174.038 176.600 0.126 0.000 1.073 510 E CA -1.784 54.663 56.400 0.079 0.000 0.894 510 E CB 0.264 29.988 29.700 0.041 0.000 1.008 510 E HN 0.261 nan 8.360 nan 0.000 0.420 511 P HA -0.115 nan 4.420 nan 0.000 0.269 511 P C -0.986 176.325 177.300 0.018 0.000 1.200 511 P CA 0.192 63.290 63.100 -0.003 0.000 0.779 511 P CB 0.294 31.956 31.700 -0.063 0.000 0.841 512 L N 3.114 124.352 121.223 0.025 0.000 2.334 512 L HA 0.499 4.839 4.340 -0.000 0.000 0.272 512 L C 0.766 177.597 176.870 -0.065 0.000 1.020 512 L CA -0.332 54.400 54.840 -0.180 0.000 0.812 512 L CB -0.456 41.418 42.059 -0.308 0.000 1.264 512 L HN 0.534 nan 8.230 nan 0.000 0.439 513 F N -0.675 119.307 119.950 0.052 0.000 2.183 513 F HA -0.355 4.172 4.527 -0.000 0.000 0.318 513 F C 0.783 176.611 175.800 0.048 0.000 0.958 513 F CA 1.077 59.098 58.000 0.034 0.000 0.912 513 F CB -0.788 38.235 39.000 0.038 0.000 4.135 513 F HN 0.527 nan 8.300 nan 0.000 0.137 514 D N 0.716 121.320 120.400 0.340 0.000 3.163 514 D HA 0.286 4.926 4.640 -0.000 0.000 0.284 514 D C -0.647 175.894 176.300 0.401 0.000 1.368 514 D CA 0.389 54.561 54.000 0.287 0.000 0.895 514 D CB 0.176 41.102 40.800 0.210 0.000 1.061 514 D HN 0.374 nan 8.370 nan 0.000 0.496 515 T N 0.973 115.683 114.554 0.260 0.000 2.867 515 T HA 0.403 4.753 4.350 -0.000 0.000 0.282 515 T C -0.215 174.462 174.700 -0.037 0.000 1.000 515 T CA -0.532 61.702 62.100 0.223 0.000 1.042 515 T CB 1.251 70.234 68.868 0.193 0.000 0.973 515 T HN -0.113 nan 8.240 nan 0.000 0.465 516 K N 3.667 123.996 120.400 -0.118 0.000 2.422 516 K HA 0.468 4.788 4.320 -0.000 0.000 0.251 516 K C -2.722 173.693 176.600 -0.309 0.000 0.933 516 K CA -2.331 53.615 56.287 -0.569 0.000 0.798 516 K CB 2.144 33.846 32.500 -1.330 0.000 1.238 516 K HN 0.311 nan 8.250 nan 0.000 0.428 517 P HA 0.031 nan 4.420 nan 0.000 0.272 517 P C 0.677 177.859 177.300 -0.196 0.000 1.230 517 P CA -0.049 62.898 63.100 -0.255 0.000 0.788 517 P CB 0.591 32.049 31.700 -0.403 0.000 0.949 518 G N 1.460 110.317 108.800 0.094 0.000 2.443 518 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 518 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 518 G C 1.345 176.253 174.900 0.013 0.000 1.131 518 G CA 0.006 45.280 45.100 0.290 0.000 0.775 518 G HN 0.720 nan 8.290 nan 0.000 0.547 519 W N -0.341 120.851 121.300 -0.180 0.000 2.358 519 W HA -0.068 4.592 4.660 -0.000 0.000 0.303 519 W C 2.025 178.309 176.519 -0.392 0.000 1.208 519 W CA 0.609 57.500 57.345 -0.757 0.000 1.274 519 W CB -0.975 28.171 29.460 -0.524 0.000 1.138 519 W HN 0.261 nan 8.180 nan 0.000 0.515 520 W N 1.999 122.605 121.300 -1.156 0.000 2.381 520 W HA -0.077 4.583 4.660 -0.000 0.000 0.301 520 W C 2.426 178.579 176.519 -0.610 0.000 1.205 520 W CA 2.378 59.031 57.345 -1.153 0.000 1.285 520 W CB -0.629 27.853 29.460 -1.630 0.000 1.133 520 W HN -0.251 nan 8.180 nan 0.000 0.521 521 I N 0.545 121.042 120.570 -0.122 0.000 2.226 521 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 521 I C 2.616 178.657 176.117 -0.127 0.000 1.100 521 I CA 1.426 62.734 61.300 0.013 0.000 1.374 521 I CB -0.983 37.231 38.000 0.358 0.000 1.057 521 I HN 0.079 nan 8.210 nan 0.000 0.413 522 A N 0.785 123.468 122.820 -0.227 0.000 1.845 522 A HA -0.259 4.061 4.320 -0.000 0.000 0.215 522 A C 2.420 179.455 177.584 -0.914 0.000 1.195 522 A CA 1.903 53.619 52.037 -0.536 0.000 0.616 522 A CB -0.732 17.896 19.000 -0.619 0.000 0.832 522 A HN 0.322 nan 8.150 nan 0.000 0.443 523 R N -0.499 119.357 120.500 -1.074 0.000 2.096 523 R HA -0.187 4.153 4.340 -0.000 0.000 0.240 523 R C 1.911 177.605 176.300 -1.011 0.000 1.139 523 R CA 1.854 57.110 56.100 -1.408 0.000 0.952 523 R CB -0.241 29.567 30.300 -0.820 0.000 0.854 523 R HN 0.482 nan 8.270 nan 0.000 0.436 524 E N 0.336 120.000 120.200 -0.893 0.000 2.204 524 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 524 E C 1.979 178.314 176.600 -0.442 0.000 0.990 524 E CA 0.899 56.846 56.400 -0.755 0.000 0.821 524 E CB 0.009 29.074 29.700 -1.058 0.000 0.750 524 E HN 0.455 nan 8.360 nan 0.000 0.477 525 L N -0.492 120.504 121.223 -0.379 0.000 2.249 525 L HA 0.061 4.401 4.340 -0.000 0.000 0.207 525 L C 2.405 179.146 176.870 -0.216 0.000 1.090 525 L CA 0.812 55.544 54.840 -0.181 0.000 0.802 525 L CB -0.365 41.664 42.059 -0.050 0.000 0.947 525 L HN 0.125 nan 8.230 nan 0.000 0.453 526 G N 0.143 108.671 108.800 -0.453 0.000 2.422 526 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 526 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 526 G C 1.576 176.393 174.900 -0.139 0.000 1.146 526 G CA 0.472 45.361 45.100 -0.351 0.000 0.769 526 G HN 0.190 nan 8.290 nan 0.000 0.547 527 L N -0.607 120.465 121.223 -0.253 0.000 2.072 527 L HA 0.061 4.401 4.340 -0.000 0.000 0.205 527 L C 2.995 179.828 176.870 -0.062 0.000 1.079 527 L CA 0.734 55.495 54.840 -0.131 0.000 0.752 527 L CB -0.346 41.595 42.059 -0.197 0.000 0.906 527 L HN 0.123 nan 8.230 nan 0.000 0.436 528 R N 0.189 120.645 120.500 -0.073 0.000 2.285 528 R HA -0.030 4.310 4.340 -0.000 0.000 0.213 528 R C 0.988 177.324 176.300 0.059 0.000 1.068 528 R CA 0.740 56.834 56.100 -0.009 0.000 1.004 528 R CB 0.006 30.299 30.300 -0.011 0.000 0.873 528 R HN 0.357 nan 8.270 nan 0.000 0.467 529 L N -1.625 119.660 121.223 0.102 0.000 3.202 529 L HA 0.429 4.769 4.340 -0.000 0.000 0.278 529 L C 0.637 177.618 176.870 0.185 0.000 1.268 529 L CA -0.173 54.796 54.840 0.215 0.000 1.034 529 L CB 1.084 43.375 42.059 0.388 0.000 1.407 529 L HN 0.155 nan 8.230 nan 0.000 0.581 530 G N 1.278 110.148 108.800 0.116 0.000 2.160 530 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 530 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 530 G C 0.215 175.193 174.900 0.131 0.000 1.022 530 G CA 0.250 45.405 45.100 0.092 0.000 0.741 530 G HN 0.369 nan 8.290 nan 0.000 0.508 531 L N 0.280 121.616 121.223 0.189 0.000 3.062 531 L HA 0.289 4.629 4.340 -0.000 0.000 0.255 531 L C 1.996 179.064 176.870 0.330 0.000 1.274 531 L CA -0.111 54.924 54.840 0.325 0.000 1.047 531 L CB -0.009 42.321 42.059 0.451 0.000 1.402 531 L HN 0.241 nan 8.230 nan 0.000 0.550 532 E N 1.197 121.491 120.200 0.157 0.000 2.130 532 E HA -0.314 4.036 4.350 -0.000 0.000 0.196 532 E C 1.749 178.373 176.600 0.040 0.000 0.998 532 E CA 1.544 57.998 56.400 0.091 0.000 0.806 532 E CB -0.271 29.443 29.700 0.024 0.000 0.738 532 E HN 0.742 nan 8.360 nan 0.000 0.459 533 Q N 1.057 120.818 119.800 -0.065 0.000 2.181 533 Q HA -0.177 4.163 4.340 -0.000 0.000 0.205 533 Q C 0.223 176.097 176.000 -0.210 0.000 0.980 533 Q CA 0.995 56.678 55.803 -0.199 0.000 0.862 533 Q CB -0.697 27.815 28.738 -0.376 0.000 0.905 533 Q HN 0.396 nan 8.270 nan 0.000 0.429 534 Y N -0.319 120.006 120.300 0.041 0.000 2.313 534 Y HA 0.327 4.877 4.550 -0.000 0.000 0.332 534 Y C -0.204 175.613 175.900 -0.139 0.000 1.071 534 Y CA -0.668 57.389 58.100 -0.072 0.000 1.169 534 Y CB 0.575 38.908 38.460 -0.211 0.000 1.192 534 Y HN 0.057 nan 8.280 nan 0.000 0.487 535 F N -0.088 119.941 119.950 0.131 0.000 2.306 535 F HA -0.238 4.289 4.527 -0.000 0.000 0.320 535 F C -1.516 173.817 175.800 -0.778 0.000 0.610 535 F CA -0.112 57.568 58.000 -0.533 0.000 1.806 535 F CB -1.495 37.263 39.000 -0.404 0.000 2.328 535 F HN 0.388 nan 8.300 nan 0.000 0.281 536 P HA -0.210 nan 4.420 nan 0.000 0.214 536 P C 0.875 178.109 177.300 -0.111 0.000 1.163 536 P CA 2.210 65.257 63.100 -0.087 0.000 0.889 536 P CB -0.359 31.410 31.700 0.116 0.000 0.790 537 W N 0.768 122.142 121.300 0.123 0.000 2.480 537 W HA 0.013 4.673 4.660 -0.000 0.000 0.337 537 W C 0.584 177.142 176.519 0.065 0.000 1.201 537 W CA -0.458 56.946 57.345 0.099 0.000 1.309 537 W CB -0.456 29.011 29.460 0.012 0.000 1.168 537 W HN -0.018 nan 8.180 nan 0.000 0.566 538 K N 0.861 121.414 120.400 0.256 0.000 2.444 538 K HA 0.103 4.423 4.320 -0.000 0.000 0.193 538 K C 0.137 176.891 176.600 0.258 0.000 1.024 538 K CA 0.626 57.011 56.287 0.163 0.000 1.077 538 K CB 0.293 32.873 32.500 0.132 0.000 0.833 538 K HN 0.456 nan 8.250 nan 0.000 0.517 539 T N -1.313 113.457 114.554 0.361 0.000 2.886 539 T HA 0.163 4.513 4.350 -0.000 0.000 0.330 539 T C 0.322 174.926 174.700 -0.159 0.000 1.488 539 T CA -0.719 61.464 62.100 0.138 0.000 1.054 539 T CB 0.758 69.684 68.868 0.096 0.000 1.348 539 T HN -0.023 nan 8.240 nan 0.000 0.489 540 I N 1.392 121.403 120.570 -0.932 0.000 2.361 540 I HA -0.026 4.144 4.170 -0.000 0.000 0.251 540 I C 2.233 177.929 176.117 -0.703 0.000 1.133 540 I CA 1.208 61.798 61.300 -1.183 0.000 1.413 540 I CB -0.589 36.336 38.000 -1.792 0.000 1.073 540 I HN 0.697 nan 8.210 nan 0.000 0.424 541 E N 1.519 121.386 120.200 -0.556 0.000 2.274 541 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 541 E C 1.734 178.216 176.600 -0.195 0.000 0.996 541 E CA 0.917 57.059 56.400 -0.431 0.000 0.840 541 E CB -0.526 28.972 29.700 -0.337 0.000 0.772 541 E HN 0.709 nan 8.360 nan 0.000 0.491 542 E N 0.459 120.589 120.200 -0.116 0.000 2.047 542 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 542 E C 1.884 178.516 176.600 0.052 0.000 0.987 542 E CA 0.878 57.294 56.400 0.026 0.000 0.799 542 E CB -0.199 29.585 29.700 0.141 0.000 0.752 542 E HN 0.326 nan 8.360 nan 0.000 0.449 543 Y N 1.233 121.382 120.300 -0.253 0.000 2.128 543 Y HA -0.213 4.337 4.550 -0.000 0.000 0.284 543 Y C 2.058 177.866 175.900 -0.153 0.000 1.154 543 Y CA 1.614 59.459 58.100 -0.425 0.000 1.149 543 Y CB -0.121 37.560 38.460 -1.298 0.000 0.976 543 Y HN -0.014 nan 8.280 nan 0.000 0.505 544 L N -0.177 121.021 121.223 -0.042 0.000 2.217 544 L HA -0.132 4.207 4.340 -0.000 0.000 0.211 544 L C 2.267 179.189 176.870 0.086 0.000 1.107 544 L CA 0.987 55.881 54.840 0.089 0.000 0.783 544 L CB -0.501 41.474 42.059 -0.140 0.000 0.919 544 L HN 0.225 nan 8.230 nan 0.000 0.442 545 E N -0.209 119.988 120.200 -0.005 0.000 2.152 545 E HA -0.131 4.218 4.350 -0.000 0.000 0.192 545 E C 2.155 178.729 176.600 -0.042 0.000 0.983 545 E CA 1.337 57.733 56.400 -0.006 0.000 0.818 545 E CB -0.156 29.539 29.700 -0.009 0.000 0.758 545 E HN 0.422 nan 8.360 nan 0.000 0.467 546 T N 1.482 115.993 114.554 -0.070 0.000 2.708 546 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 546 T C 1.875 176.454 174.700 -0.201 0.000 1.037 546 T CA 1.180 63.185 62.100 -0.158 0.000 1.146 546 T CB -0.076 68.641 68.868 -0.252 0.000 0.865 546 T HN 0.196 nan 8.240 nan 0.000 0.435 547 R N 0.774 121.141 120.500 -0.222 0.000 2.115 547 R HA 0.109 4.449 4.340 -0.000 0.000 0.230 547 R C 2.367 178.485 176.300 -0.303 0.000 1.111 547 R CA 0.858 56.771 56.100 -0.311 0.000 0.976 547 R CB -0.489 29.576 30.300 -0.391 0.000 0.870 547 R HN 0.368 nan 8.270 nan 0.000 0.445 548 L N 0.632 121.740 121.223 -0.193 0.000 2.240 548 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 548 L C 2.465 179.273 176.870 -0.103 0.000 1.106 548 L CA 0.989 55.745 54.840 -0.141 0.000 0.793 548 L CB -0.348 41.696 42.059 -0.025 0.000 0.927 548 L HN 0.222 nan 8.230 nan 0.000 0.446 549 Q N -0.150 119.593 119.800 -0.095 0.000 2.002 549 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 549 Q C 2.484 178.440 176.000 -0.074 0.000 0.988 549 Q CA 2.441 58.199 55.803 -0.074 0.000 0.843 549 Q CB -0.192 28.497 28.738 -0.082 0.000 0.908 549 Q HN 0.453 nan 8.270 nan 0.000 0.420 550 S N 0.156 115.793 115.700 -0.105 0.000 2.372 550 S HA -0.200 4.270 4.470 -0.000 0.000 0.227 550 S C 1.773 176.352 174.600 -0.034 0.000 1.044 550 S CA 1.405 59.560 58.200 -0.075 0.000 1.050 550 S CB -0.337 62.772 63.200 -0.152 0.000 0.901 550 S HN 0.417 nan 8.310 nan 0.000 0.447 551 L N 0.287 121.454 121.223 -0.093 0.000 2.492 551 L HA 0.284 4.624 4.340 -0.000 0.000 0.223 551 L C 1.789 178.645 176.870 -0.023 0.000 1.132 551 L CA 0.496 55.309 54.840 -0.045 0.000 0.850 551 L CB -0.257 41.732 42.059 -0.117 0.000 0.966 551 L HN 0.697 nan 8.230 nan 0.000 0.454 552 G N 0.170 108.950 108.800 -0.033 0.000 2.145 552 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.145 552 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.145 552 G C -0.279 174.610 174.900 -0.018 0.000 1.017 552 G CA -0.114 44.975 45.100 -0.019 0.000 0.682 552 G HN 0.205 nan 8.290 nan 0.000 0.504 553 L N -1.392 119.815 121.223 -0.026 0.000 2.510 553 L HA 0.924 5.264 4.340 -0.000 0.000 0.252 553 L C -0.793 176.072 176.870 -0.008 0.000 1.091 553 L CA -1.299 53.535 54.840 -0.010 0.000 0.888 553 L CB 1.248 43.306 42.059 -0.002 0.000 1.507 553 L HN 0.095 nan 8.230 nan 0.000 0.407 554 D N -0.842 119.567 120.400 0.014 0.000 2.533 554 D HA 0.330 4.970 4.640 -0.000 0.000 0.247 554 D C 0.559 176.891 176.300 0.054 0.000 1.056 554 D CA -0.757 53.257 54.000 0.025 0.000 1.054 554 D CB 1.772 42.584 40.800 0.020 0.000 1.400 554 D HN 0.535 nan 8.370 nan 0.000 0.533 555 L N -0.140 121.116 121.223 0.055 0.000 2.012 555 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 555 L C 2.145 179.070 176.870 0.092 0.000 1.073 555 L CA 1.526 56.411 54.840 0.075 0.000 0.748 555 L CB -0.168 41.911 42.059 0.034 0.000 0.891 555 L HN 0.413 nan 8.230 nan 0.000 0.431 556 E N -0.544 119.701 120.200 0.074 0.000 2.118 556 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 556 E C 2.006 178.655 176.600 0.083 0.000 0.992 556 E CA 1.849 58.297 56.400 0.079 0.000 0.804 556 E CB -0.330 29.406 29.700 0.060 0.000 0.741 556 E HN 0.530 nan 8.360 nan 0.000 0.458 557 T N 1.131 115.729 114.554 0.072 0.000 2.857 557 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 557 T C 1.771 176.522 174.700 0.085 0.000 1.048 557 T CA 0.711 62.852 62.100 0.068 0.000 1.139 557 T CB -0.047 68.849 68.868 0.047 0.000 0.874 557 T HN -0.004 nan 8.240 nan 0.000 0.455 558 M N 1.776 121.437 119.600 0.103 0.000 2.159 558 M HA 0.011 4.491 4.480 -0.000 0.000 0.263 558 M C 1.881 178.269 176.300 0.146 0.000 1.063 558 M CA 1.453 56.832 55.300 0.133 0.000 1.110 558 M CB -0.708 32.017 32.600 0.208 0.000 1.374 558 M HN 0.146 nan 8.290 nan 0.000 0.411 559 K N -1.131 119.366 120.400 0.161 0.000 2.147 559 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 559 K C 1.945 178.702 176.600 0.263 0.000 1.049 559 K CA 1.291 57.699 56.287 0.201 0.000 0.936 559 K CB -0.573 32.024 32.500 0.160 0.000 0.722 559 K HN 0.491 nan 8.250 nan 0.000 0.446 560 G N 1.998 110.907 108.800 0.182 0.000 2.421 560 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 560 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 560 G C 1.025 176.055 174.900 0.217 0.000 1.171 560 G CA 0.771 45.983 45.100 0.186 0.000 0.775 560 G HN 0.312 nan 8.290 nan 0.000 0.543 561 M N 0.363 119.995 119.600 0.054 0.000 3.109 561 M HA 0.576 5.056 4.480 -0.000 0.000 0.274 561 M C 1.447 177.583 176.300 -0.274 0.000 1.171 561 M CA -0.222 55.009 55.300 -0.114 0.000 0.856 561 M CB 0.991 33.578 32.600 -0.023 0.000 1.335 561 M HN 0.009 nan 8.290 nan 0.000 0.531 562 G N 1.124 109.523 108.800 -0.669 0.000 3.710 562 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.250 562 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.250 562 G C 0.486 175.375 174.900 -0.018 0.000 1.046 562 G CA 1.883 46.717 45.100 -0.445 0.000 0.713 562 G HN 0.556 nan 8.290 nan 0.000 0.749 563 T N -0.563 113.982 114.554 -0.015 0.000 2.887 563 T HA 0.617 4.967 4.350 -0.000 0.000 0.288 563 T C -0.812 173.905 174.700 0.029 0.000 1.021 563 T CA -0.546 61.587 62.100 0.054 0.000 1.000 563 T CB 2.632 71.473 68.868 -0.045 0.000 1.034 563 T HN 0.337 nan 8.240 nan 0.000 0.467 564 L N 2.674 123.942 121.223 0.075 0.000 2.406 564 L HA 0.712 5.052 4.340 -0.000 0.000 0.272 564 L C -1.319 175.599 176.870 0.080 0.000 0.980 564 L CA -0.723 54.142 54.840 0.041 0.000 0.831 564 L CB 1.271 43.338 42.059 0.013 0.000 1.253 564 L HN 0.455 nan 8.230 nan 0.000 0.406 565 V N 4.582 124.515 119.914 0.032 0.000 2.427 565 V HA 0.506 4.626 4.120 -0.000 0.000 0.286 565 V C -0.133 175.975 176.094 0.023 0.000 1.034 565 V CA -0.511 61.815 62.300 0.043 0.000 0.893 565 V CB 1.390 33.194 31.823 -0.032 0.000 0.982 565 V HN 0.795 nan 8.190 nan 0.000 0.452 566 Q N 2.426 122.247 119.800 0.034 0.000 2.378 566 Q HA 0.582 4.922 4.340 -0.000 0.000 0.276 566 Q C -0.605 175.396 176.000 0.002 0.000 1.083 566 Q CA -1.014 54.798 55.803 0.015 0.000 0.856 566 Q CB 2.669 31.419 28.738 0.020 0.000 1.383 566 Q HN 0.601 nan 8.270 nan 0.000 0.458 567 R N -0.310 120.182 120.500 -0.013 0.000 2.349 567 R HA 0.586 4.926 4.340 -0.000 0.000 0.299 567 R C -0.488 175.784 176.300 -0.047 0.000 1.027 567 R CA 0.087 56.168 56.100 -0.031 0.000 0.958 567 R CB 0.745 31.022 30.300 -0.039 0.000 1.047 567 R HN 0.788 nan 8.270 nan 0.000 0.468 568 G N 2.197 110.958 108.800 -0.064 0.000 2.976 568 G HA2 0.452 4.412 3.960 -0.000 0.000 0.276 568 G HA3 0.452 4.412 3.960 -0.000 0.000 0.276 568 G C -1.465 173.360 174.900 -0.125 0.000 1.207 568 G CA -0.597 44.452 45.100 -0.084 0.000 0.803 568 G HN 0.454 nan 8.290 nan 0.000 0.572 569 K N -0.087 120.243 120.400 -0.117 0.000 2.508 569 K HA 0.508 4.828 4.320 -0.000 0.000 0.260 569 K C -2.425 174.102 176.600 -0.122 0.000 0.949 569 K CA -1.606 54.602 56.287 -0.131 0.000 0.834 569 K CB 3.597 35.983 32.500 -0.190 0.000 1.365 569 K HN 0.200 nan 8.250 nan 0.000 0.437 570 P HA 0.177 nan 4.420 nan 0.000 0.295 570 P C -0.732 176.204 177.300 -0.606 0.000 1.199 570 P CA 0.136 62.813 63.100 -0.705 0.000 0.951 570 P CB 0.714 31.474 31.700 -1.567 0.000 1.399 571 W N -0.919 120.488 121.300 0.178 0.000 3.154 571 W HA 0.471 5.131 4.660 -0.000 0.000 0.454 571 W C 1.499 178.135 176.519 0.195 0.000 1.488 571 W CA -0.891 56.529 57.345 0.126 0.000 1.275 571 W CB 0.321 29.852 29.460 0.120 0.000 2.277 571 W HN -0.416 nan 8.180 nan 0.000 0.683 572 L N 0.339 121.797 121.223 0.392 0.000 2.298 572 L HA -0.005 4.335 4.340 -0.000 0.000 0.209 572 L C 2.153 179.228 176.870 0.343 0.000 1.084 572 L CA 0.805 55.798 54.840 0.256 0.000 0.816 572 L CB -0.549 41.519 42.059 0.016 0.000 0.967 572 L HN 0.479 nan 8.230 nan 0.000 0.460 573 E N 0.768 121.153 120.200 0.308 0.000 2.070 573 E HA -0.258 4.092 4.350 -0.000 0.000 0.197 573 E C 1.497 178.233 176.600 0.227 0.000 1.004 573 E CA 1.684 58.229 56.400 0.241 0.000 0.805 573 E CB -0.199 29.614 29.700 0.188 0.000 0.744 573 E HN 0.504 nan 8.360 nan 0.000 0.451 574 D N -0.201 120.349 120.400 0.249 0.000 2.182 574 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 574 D C 1.556 177.847 176.300 -0.014 0.000 0.986 574 D CA 0.915 54.972 54.000 0.095 0.000 0.847 574 D CB -0.423 40.398 40.800 0.034 0.000 0.942 574 D HN 0.324 nan 8.370 nan 0.000 0.467 575 W N 1.086 122.434 121.300 0.080 0.000 2.480 575 W HA 0.090 4.750 4.660 -0.000 0.000 0.299 575 W C 2.564 179.133 176.519 0.083 0.000 1.187 575 W CA 0.308 57.694 57.345 0.068 0.000 1.347 575 W CB -0.306 29.190 29.460 0.060 0.000 1.121 575 W HN -0.056 nan 8.180 nan 0.000 0.533 576 E N 0.491 120.912 120.200 0.368 0.000 2.077 576 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 576 E C 1.999 178.704 176.600 0.174 0.000 0.989 576 E CA 1.385 57.943 56.400 0.265 0.000 0.800 576 E CB -0.028 29.824 29.700 0.253 0.000 0.746 576 E HN 0.160 nan 8.360 nan 0.000 0.452 577 K N 0.287 120.770 120.400 0.137 0.000 2.148 577 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 577 K C 1.796 178.435 176.600 0.064 0.000 1.050 577 K CA 0.924 57.263 56.287 0.087 0.000 0.942 577 K CB -0.028 32.513 32.500 0.068 0.000 0.724 577 K HN 0.116 nan 8.250 nan 0.000 0.446 578 E N -0.132 120.101 120.200 0.056 0.000 2.516 578 E HA -0.046 4.304 4.350 -0.000 0.000 0.199 578 E C 0.557 177.196 176.600 0.066 0.000 1.069 578 E CA 0.290 56.708 56.400 0.029 0.000 0.876 578 E CB 0.096 29.783 29.700 -0.022 0.000 0.843 578 E HN 0.485 nan 8.360 nan 0.000 0.530 579 G N 1.589 110.450 108.800 0.102 0.000 2.147 579 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.244 579 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.244 579 G C 0.108 175.097 174.900 0.150 0.000 1.005 579 G CA 0.595 45.761 45.100 0.110 0.000 0.713 579 G HN 0.291 nan 8.290 nan 0.000 0.515 580 R N -1.714 118.916 120.500 0.216 0.000 2.950 580 R HA 0.957 5.297 4.340 -0.000 0.000 0.253 580 R C -1.324 175.207 176.300 0.385 0.000 1.168 580 R CA -1.078 55.199 56.100 0.296 0.000 1.014 580 R CB 1.437 31.943 30.300 0.344 0.000 1.228 580 R HN 0.359 nan 8.270 nan 0.000 0.487 581 L N -0.014 121.438 121.223 0.381 0.000 2.469 581 L HA 0.477 4.817 4.340 -0.000 0.000 0.256 581 L C -2.142 174.767 176.870 0.065 0.000 1.006 581 L CA -1.864 53.139 54.840 0.271 0.000 0.832 581 L CB 2.631 44.959 42.059 0.449 0.000 1.421 581 L HN 0.588 nan 8.230 nan 0.000 0.410 582 P HA 0.162 nan 4.420 nan 0.000 0.211 582 P C 0.728 178.004 177.300 -0.041 0.000 1.150 582 P CA 0.484 63.263 63.100 -0.535 0.000 0.896 582 P CB 0.475 31.555 31.700 -1.035 0.000 0.764 583 F N -0.406 119.491 119.950 -0.087 0.000 2.976 583 F HA -0.320 4.207 4.527 -0.000 0.000 0.231 583 F C 1.977 177.804 175.800 0.046 0.000 1.102 583 F CA 1.952 59.960 58.000 0.013 0.000 1.448 583 F CB -2.036 36.982 39.000 0.030 0.000 0.701 583 F HN 0.220 nan 8.300 nan 0.000 0.507 584 G N -3.492 105.571 108.800 0.438 0.000 2.448 584 G HA2 0.298 4.258 3.960 -0.000 0.000 0.205 584 G HA3 0.298 4.258 3.960 -0.000 0.000 0.205 584 G C 0.444 175.420 174.900 0.127 0.000 1.409 584 G CA 0.569 45.805 45.100 0.226 0.000 0.562 584 G HN 0.603 nan 8.290 nan 0.000 1.078 585 T N 0.329 114.894 114.554 0.018 0.000 3.332 585 T HA 0.556 4.906 4.350 -0.000 0.000 0.304 585 T C 0.792 175.329 174.700 -0.272 0.000 0.971 585 T CA 0.695 62.742 62.100 -0.087 0.000 0.954 585 T CB 1.015 69.849 68.868 -0.056 0.000 1.175 585 T HN 1.461 nan 8.240 nan 0.000 0.519 586 A N 0.301 122.784 122.820 -0.562 0.000 4.025 586 A HA 0.113 4.433 4.320 -0.000 0.000 0.193 586 A C 0.415 177.431 177.584 -0.946 0.000 1.282 586 A CA 0.228 51.908 52.037 -0.595 0.000 1.307 586 A CB -1.719 17.138 19.000 -0.238 0.000 0.995 586 A HN 0.633 nan 8.150 nan 0.000 0.781 587 S N -1.690 112.814 115.700 -1.993 0.000 2.757 587 S HA 0.447 4.917 4.470 -0.000 0.000 0.318 587 S C 0.071 174.250 174.600 -0.701 0.000 0.688 587 S CA 0.049 57.613 58.200 -1.060 0.000 0.693 587 S CB -0.087 62.913 63.200 -0.333 0.000 0.951 587 S HN 2.095 nan 8.310 nan 0.000 0.564 588 G N 3.812 113.018 108.800 0.676 0.000 2.225 588 G HA2 0.253 4.213 3.960 -0.000 0.000 0.245 588 G HA3 0.253 4.213 3.960 -0.000 0.000 0.245 588 G C -0.039 174.925 174.900 0.106 0.000 1.249 588 G CA -0.142 45.266 45.100 0.513 0.000 0.919 588 G HN 0.557 nan 8.290 nan 0.000 0.486 589 K N 4.357 124.776 120.400 0.031 0.000 2.250 589 K HA 0.156 4.476 4.320 -0.000 0.000 0.280 589 K C 1.026 177.598 176.600 -0.046 0.000 1.098 589 K CA -0.684 55.595 56.287 -0.014 0.000 0.916 589 K CB 1.753 34.248 32.500 -0.010 0.000 1.209 589 K HN 0.518 nan 8.250 nan 0.000 0.461 590 I N 1.906 122.417 120.570 -0.097 0.000 2.127 590 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 590 I C 1.980 177.742 176.117 -0.592 0.000 1.075 590 I CA 1.627 62.760 61.300 -0.280 0.000 1.334 590 I CB 0.231 38.125 38.000 -0.176 0.000 1.040 590 I HN 0.596 nan 8.210 nan 0.000 0.405 591 E N 0.811 120.771 120.200 -0.401 0.000 2.085 591 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 591 E C 1.352 177.923 176.600 -0.048 0.000 0.994 591 E CA 1.775 57.947 56.400 -0.380 0.000 0.801 591 E CB -0.056 29.458 29.700 -0.310 0.000 0.743 591 E HN 0.645 nan 8.360 nan 0.000 0.453 592 L N -3.718 117.506 121.223 0.001 0.000 4.036 592 L HA -0.131 4.209 4.340 -0.000 0.000 0.389 592 L C -1.248 175.776 176.870 0.257 0.000 1.111 592 L CA 0.650 55.590 54.840 0.167 0.000 1.014 592 L CB -2.793 39.457 42.059 0.318 0.000 2.075 592 L HN 0.233 nan 8.230 nan 0.000 0.580 593 Y N -1.345 118.872 120.300 -0.137 0.000 1.881 593 Y HA 0.248 4.798 4.550 -0.000 0.000 0.309 593 Y C 1.165 176.908 175.900 -0.261 0.000 1.164 593 Y CA -0.278 57.626 58.100 -0.327 0.000 1.811 593 Y CB -0.372 37.601 38.460 -0.812 0.000 1.252 593 Y HN 0.246 nan 8.280 nan 0.000 0.376 594 C N 2.225 121.246 119.300 -0.466 0.000 2.403 594 C HA -0.183 4.277 4.460 -0.000 0.000 0.279 594 C C 2.439 177.231 174.990 -0.331 0.000 1.269 594 C CA 2.240 61.103 59.018 -0.258 0.000 1.774 594 C CB -0.808 26.814 27.740 -0.196 0.000 1.993 594 C HN 0.866 nan 8.230 nan 0.000 0.496 595 Q N -0.160 119.180 119.800 -0.767 0.000 2.320 595 Q HA -0.002 4.338 4.340 -0.000 0.000 0.201 595 Q C 1.951 177.893 176.000 -0.098 0.000 0.910 595 Q CA 0.335 55.898 55.803 -0.399 0.000 0.946 595 Q CB -0.076 28.439 28.738 -0.371 0.000 1.062 595 Q HN 0.745 nan 8.270 nan 0.000 0.503 596 R N -0.762 119.608 120.500 -0.216 0.000 2.103 596 R HA 0.010 4.350 4.340 -0.000 0.000 0.212 596 R C 1.714 178.023 176.300 0.013 0.000 1.107 596 R CA 0.501 56.445 56.100 -0.259 0.000 1.025 596 R CB -0.639 29.261 30.300 -0.667 0.000 0.929 596 R HN 0.169 nan 8.270 nan 0.000 0.456 597 F N 2.675 122.538 119.950 -0.145 0.000 2.067 597 F HA -0.363 4.164 4.527 -0.000 0.000 0.295 597 F C 1.497 177.286 175.800 -0.018 0.000 1.142 597 F CA 2.415 60.385 58.000 -0.051 0.000 1.230 597 F CB -0.921 38.024 39.000 -0.091 0.000 0.941 597 F HN 0.057 nan 8.300 nan 0.000 0.518 598 K N -0.641 119.785 120.400 0.043 0.000 2.005 598 K HA -0.300 4.020 4.320 -0.000 0.000 0.229 598 K C 1.948 178.552 176.600 0.007 0.000 1.050 598 K CA 2.508 58.737 56.287 -0.095 0.000 0.994 598 K CB -0.561 31.888 32.500 -0.086 0.000 0.736 598 K HN 0.203 nan 8.250 nan 0.000 0.448 599 E N -1.147 119.103 120.200 0.083 0.000 2.460 599 E HA 0.139 4.489 4.350 -0.000 0.000 0.200 599 E C 1.160 177.865 176.600 0.174 0.000 1.011 599 E CA 0.435 56.904 56.400 0.117 0.000 0.912 599 E CB 0.645 30.416 29.700 0.119 0.000 0.953 599 E HN 0.381 nan 8.360 nan 0.000 0.494 600 A N -1.044 121.895 122.820 0.199 0.000 2.115 600 A HA 0.529 4.849 4.320 -0.000 0.000 0.211 600 A C 1.693 179.384 177.584 0.179 0.000 1.169 600 A CA 1.116 53.275 52.037 0.204 0.000 0.787 600 A CB 0.173 19.264 19.000 0.153 0.000 0.858 600 A HN 0.325 nan 8.150 nan 0.000 0.474 601 G N -1.678 107.239 108.800 0.195 0.000 2.981 601 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.198 601 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.198 601 G C 0.158 175.238 174.900 0.300 0.000 1.806 601 G CA 0.168 45.391 45.100 0.205 0.000 1.374 601 G HN 0.808 nan 8.290 nan 0.000 0.555 602 H N 0.421 119.603 119.070 0.186 0.000 2.621 602 H HA 0.672 5.228 4.556 -0.000 0.000 0.360 602 H C 0.861 176.258 175.328 0.115 0.000 1.163 602 H CA -0.401 55.745 56.048 0.164 0.000 1.194 602 H CB 2.047 31.912 29.762 0.172 0.000 1.649 602 H HN 0.258 nan 8.280 nan 0.000 0.532 603 Q N 2.119 121.928 119.800 0.015 0.000 2.263 603 Q HA 0.180 4.520 4.340 -0.000 0.000 0.196 603 Q C -1.917 173.881 176.000 -0.337 0.000 0.965 603 Q CA -0.377 55.282 55.803 -0.241 0.000 0.851 603 Q CB -0.011 28.316 28.738 -0.686 0.000 0.948 603 Q HN 0.475 nan 8.270 nan 0.000 0.516 604 P HA 0.060 nan 4.420 nan 0.000 0.276 604 P C -0.749 175.870 177.300 -1.136 0.000 1.244 604 P CA 0.224 62.772 63.100 -0.920 0.000 0.801 604 P CB 0.386 31.175 31.700 -1.519 0.000 1.006 605 L N 0.555 121.289 121.223 -0.814 0.000 2.912 605 L HA 0.224 4.564 4.340 -0.000 0.000 0.246 605 L C -1.444 175.097 176.870 -0.548 0.000 1.371 605 L CA -0.852 53.350 54.840 -1.063 0.000 1.196 605 L CB -1.233 40.623 42.059 -0.340 0.000 1.596 605 L HN 0.220 nan 8.230 nan 0.000 0.429 606 P HA -0.114 nan 4.420 nan 0.000 0.223 606 P C 1.048 178.295 177.300 -0.089 0.000 1.151 606 P CA 0.631 63.718 63.100 -0.023 0.000 0.787 606 P CB 0.159 32.073 31.700 0.356 0.000 0.788 607 V N 2.771 122.555 119.914 -0.218 0.000 2.106 607 V HA -0.112 4.008 4.120 -0.000 0.000 0.235 607 V C 1.528 177.655 176.094 0.054 0.000 1.454 607 V CA 0.303 62.617 62.300 0.022 0.000 1.458 607 V CB -2.182 29.822 31.823 0.302 0.000 1.506 607 V HN 0.026 nan 8.190 nan 0.000 0.498 608 F N 2.742 122.650 119.950 -0.070 0.000 2.407 608 F HA -0.011 4.516 4.527 -0.000 0.000 0.299 608 F C 1.450 177.196 175.800 -0.090 0.000 1.097 608 F CA 0.267 58.215 58.000 -0.087 0.000 1.422 608 F CB -0.976 37.975 39.000 -0.081 0.000 1.067 608 F HN 0.399 nan 8.300 nan 0.000 0.539 609 T N 4.235 118.392 114.554 -0.662 0.000 2.265 609 T HA -0.162 4.188 4.350 -0.000 0.000 0.553 609 T C -2.336 171.815 174.700 -0.915 0.000 0.873 609 T CA 0.107 61.834 62.100 -0.621 0.000 3.443 609 T CB -1.597 67.139 68.868 -0.221 0.000 1.306 609 T HN 0.222 nan 8.240 nan 0.000 0.297 610 P HA -0.010 nan 4.420 nan 0.000 0.263 610 P C -2.030 175.046 177.300 -0.374 0.000 1.145 610 P CA -0.648 61.988 63.100 -0.772 0.000 0.755 610 P CB -0.089 31.404 31.700 -0.345 0.000 0.746 611 P HA 0.153 nan 4.420 nan 0.000 0.282 611 P C -0.200 177.098 177.300 -0.003 0.000 1.249 611 P CA -0.372 62.665 63.100 -0.105 0.000 0.806 611 P CB 0.809 32.417 31.700 -0.153 0.000 0.984 612 E N 2.101 122.343 120.200 0.070 0.000 2.452 612 E HA -0.010 4.340 4.350 -0.000 0.000 0.261 612 E C -0.245 176.458 176.600 0.172 0.000 0.987 612 E CA 0.246 56.716 56.400 0.115 0.000 0.926 612 E CB 0.470 30.280 29.700 0.183 0.000 0.934 612 E HN 0.365 nan 8.360 nan 0.000 0.452 613 E N 4.190 124.386 120.200 -0.007 0.000 2.250 613 E HA 0.309 4.659 4.350 -0.000 0.000 0.269 613 E C -2.248 173.965 176.600 -0.645 0.000 1.018 613 E CA -2.096 54.214 56.400 -0.148 0.000 0.873 613 E CB 0.996 30.628 29.700 -0.113 0.000 1.134 613 E HN 0.403 nan 8.360 nan 0.000 0.403 614 P HA 0.105 nan 4.420 nan 0.000 0.268 614 P C -2.479 174.412 177.300 -0.682 0.000 1.205 614 P CA -1.022 61.315 63.100 -1.272 0.000 0.771 614 P CB -0.387 31.024 31.700 -0.481 0.000 0.858 615 P HA 0.099 nan 4.420 nan 0.000 0.274 615 P C -0.201 177.050 177.300 -0.081 0.000 1.231 615 P CA -0.370 62.544 63.100 -0.310 0.000 0.790 615 P CB 0.260 31.753 31.700 -0.345 0.000 0.951 616 E N 1.003 121.173 120.200 -0.048 0.000 2.465 616 E HA 0.212 4.562 4.350 -0.000 0.000 0.260 616 E C 0.726 177.368 176.600 0.070 0.000 0.980 616 E CA 0.290 56.673 56.400 -0.028 0.000 0.927 616 E CB -0.702 28.976 29.700 -0.038 0.000 0.934 616 E HN 0.761 nan 8.360 nan 0.000 0.459 617 G N 2.896 111.664 108.800 -0.053 0.000 2.194 617 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.236 617 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.236 617 G C -0.254 174.447 174.900 -0.331 0.000 0.987 617 G CA 0.077 45.095 45.100 -0.137 0.000 0.635 617 G HN 0.464 nan 8.290 nan 0.000 0.520 618 F N -0.657 119.113 119.950 -0.301 0.000 2.594 618 F HA 0.866 5.393 4.527 -0.000 0.000 0.335 618 F C 0.131 175.620 175.800 -0.520 0.000 1.058 618 F CA -1.196 56.667 58.000 -0.228 0.000 0.981 618 F CB 1.415 40.368 39.000 -0.079 0.000 1.289 618 F HN -0.004 nan 8.300 nan 0.000 0.490 619 Y N -0.386 120.127 120.300 0.355 0.000 2.553 619 Y HA 0.463 5.013 4.550 -0.000 0.000 0.347 619 Y C -0.200 175.940 175.900 0.401 0.000 1.019 619 Y CA -1.299 56.972 58.100 0.284 0.000 1.032 619 Y CB 1.636 40.220 38.460 0.207 0.000 1.284 619 Y HN 0.361 nan 8.280 nan 0.000 0.466 620 R N 2.388 123.213 120.500 0.542 0.000 2.491 620 R HA 0.289 4.628 4.340 -0.000 0.000 0.283 620 R C -0.985 175.520 176.300 0.341 0.000 1.072 620 R CA -0.334 56.067 56.100 0.502 0.000 1.048 620 R CB 0.372 30.930 30.300 0.429 0.000 0.983 620 R HN 0.756 nan 8.270 nan 0.000 0.450 621 L N 7.279 128.649 121.223 0.245 0.000 2.268 621 L HA 0.272 4.612 4.340 -0.000 0.000 0.289 621 L C -0.872 176.091 176.870 0.155 0.000 1.064 621 L CA -0.315 54.637 54.840 0.186 0.000 0.824 621 L CB 0.468 42.616 42.059 0.149 0.000 1.202 621 L HN 0.641 nan 8.230 nan 0.000 0.433 622 L N 5.395 126.682 121.223 0.106 0.000 2.358 622 L HA 0.578 4.918 4.340 -0.000 0.000 0.268 622 L C -0.854 175.953 176.870 -0.106 0.000 1.032 622 L CA -0.859 53.961 54.840 -0.033 0.000 0.805 622 L CB 1.663 43.735 42.059 0.021 0.000 1.253 622 L HN 0.516 nan 8.230 nan 0.000 0.452 623 Y N -1.126 119.047 120.300 -0.212 0.000 2.689 623 Y HA 0.889 5.439 4.550 -0.000 0.000 0.333 623 Y C -0.322 175.427 175.900 -0.251 0.000 1.208 623 Y CA -0.699 57.129 58.100 -0.455 0.000 1.055 623 Y CB 1.419 39.724 38.460 -0.258 0.000 1.304 623 Y HN 0.685 nan 8.280 nan 0.000 0.455 624 G N 0.540 109.302 108.800 -0.064 0.000 2.450 624 G HA2 0.526 4.486 3.960 -0.000 0.000 0.273 624 G HA3 0.526 4.486 3.960 -0.000 0.000 0.273 624 G C -1.825 173.249 174.900 0.291 0.000 1.221 624 G CA -1.433 43.776 45.100 0.183 0.000 0.900 624 G HN 0.528 nan 8.290 nan 0.000 0.483 625 R N 0.015 120.769 120.500 0.423 0.000 2.668 625 R HA 0.728 5.068 4.340 -0.000 0.000 0.279 625 R C -0.415 175.933 176.300 0.080 0.000 0.976 625 R CA -0.637 55.543 56.100 0.134 0.000 0.978 625 R CB 1.410 31.656 30.300 -0.089 0.000 1.133 625 R HN 0.521 nan 8.270 nan 0.000 0.484 626 S N 2.475 118.227 115.700 0.086 0.000 2.457 626 S HA 0.281 4.751 4.470 -0.000 0.000 0.289 626 S C -1.448 173.149 174.600 -0.005 0.000 1.163 626 S CA -1.723 56.550 58.200 0.122 0.000 1.078 626 S CB 0.969 64.349 63.200 0.300 0.000 0.987 626 S HN 0.343 nan 8.310 nan 0.000 0.482 627 P HA -0.062 nan 4.420 nan 0.000 0.224 627 P C 0.873 178.087 177.300 -0.144 0.000 1.142 627 P CA 0.796 63.821 63.100 -0.125 0.000 0.778 627 P CB 0.151 31.790 31.700 -0.102 0.000 0.764 628 V N -2.038 117.797 119.914 -0.132 0.000 3.645 628 V HA 0.141 4.261 4.120 -0.000 0.000 0.275 628 V C 0.724 176.595 176.094 -0.372 0.000 1.356 628 V CA 0.272 62.431 62.300 -0.235 0.000 1.051 628 V CB -0.390 31.296 31.823 -0.228 0.000 0.828 628 V HN 0.170 nan 8.190 nan 0.000 0.441 629 H N -0.005 119.005 119.070 -0.101 0.000 2.572 629 H HA 0.473 5.029 4.556 -0.000 0.000 0.359 629 H C -0.437 174.747 175.328 -0.241 0.000 1.134 629 H CA -0.155 55.805 56.048 -0.146 0.000 1.187 629 H CB 2.082 31.774 29.762 -0.117 0.000 1.597 629 H HN 0.052 nan 8.280 nan 0.000 0.524 630 T N 3.899 118.358 114.554 -0.159 0.000 2.837 630 T HA 0.176 4.526 4.350 -0.000 0.000 0.285 630 T C 1.081 175.606 174.700 -0.291 0.000 0.984 630 T CA -0.383 61.477 62.100 -0.400 0.000 1.049 630 T CB 0.499 69.127 68.868 -0.400 0.000 0.947 630 T HN 0.516 nan 8.240 nan 0.000 0.472 631 F N 1.418 121.339 119.950 -0.048 0.000 2.557 631 F HA -0.448 4.079 4.527 -0.000 0.000 0.229 631 F C 2.206 177.854 175.800 -0.255 0.000 1.359 631 F CA 1.857 59.858 58.000 0.001 0.000 1.880 631 F CB -1.248 37.796 39.000 0.073 0.000 0.549 631 F HN 0.621 nan 8.300 nan 0.000 0.350 632 A N -0.903 121.956 122.820 0.065 0.000 1.977 632 A HA 0.161 4.481 4.320 -0.000 0.000 0.197 632 A C 1.641 179.191 177.584 -0.056 0.000 1.554 632 A CA 0.296 52.221 52.037 -0.186 0.000 1.037 632 A CB -0.219 18.559 19.000 -0.370 0.000 1.083 632 A HN 0.463 nan 8.150 nan 0.000 0.471 633 R N 0.411 120.922 120.500 0.019 0.000 2.395 633 R HA -0.010 4.330 4.340 -0.000 0.000 0.202 633 R C 0.545 176.817 176.300 -0.047 0.000 1.088 633 R CA 1.565 57.666 56.100 0.001 0.000 1.090 633 R CB -0.838 29.487 30.300 0.042 0.000 0.876 633 R HN 0.243 nan 8.270 nan 0.000 0.477 634 T N 0.029 114.546 114.554 -0.062 0.000 3.043 634 T HA 0.099 4.449 4.350 -0.000 0.000 0.272 634 T C 1.010 175.731 174.700 0.036 0.000 0.990 634 T CA -0.273 61.824 62.100 -0.005 0.000 0.897 634 T CB 0.246 69.135 68.868 0.036 0.000 1.111 634 T HN 0.257 nan 8.240 nan 0.000 0.529 635 Q N 0.658 120.358 119.800 -0.167 0.000 2.488 635 Q HA 0.105 4.445 4.340 -0.000 0.000 0.211 635 Q C 1.182 177.072 176.000 -0.182 0.000 0.967 635 Q CA 0.770 56.385 55.803 -0.313 0.000 0.926 635 Q CB -0.225 28.196 28.738 -0.529 0.000 0.992 635 Q HN 0.424 nan 8.270 nan 0.000 0.506 636 N N 0.699 119.322 118.700 -0.129 0.000 2.184 636 N HA -0.030 4.709 4.740 -0.000 0.000 0.206 636 N C -0.349 175.176 175.510 0.025 0.000 1.151 636 N CA -0.123 52.893 53.050 -0.057 0.000 0.878 636 N CB 0.386 38.821 38.487 -0.087 0.000 1.014 636 N HN 0.008 nan 8.380 nan 0.000 0.512 637 N N 1.370 120.077 118.700 0.012 0.000 2.405 637 N HA -0.066 4.674 4.740 -0.000 0.000 0.260 637 N C 1.182 176.725 175.510 0.054 0.000 1.152 637 N CA -0.202 52.837 53.050 -0.018 0.000 0.948 637 N CB 0.217 38.655 38.487 -0.081 0.000 1.111 637 N HN 0.401 nan 8.380 nan 0.000 0.485 638 W N 4.475 125.789 121.300 0.023 0.000 2.402 638 W HA -0.067 4.593 4.660 -0.000 0.000 0.286 638 W C 0.463 177.001 176.519 0.032 0.000 1.221 638 W CA 0.183 57.550 57.345 0.037 0.000 1.257 638 W CB -0.628 28.855 29.460 0.039 0.000 1.120 638 W HN 0.211 nan 8.180 nan 0.000 0.551 639 V N 2.372 121.949 119.914 -0.561 0.000 2.515 639 V HA -0.283 3.837 4.120 -0.000 0.000 0.250 639 V C 2.492 178.486 176.094 -0.167 0.000 1.058 639 V CA 1.672 63.656 62.300 -0.528 0.000 1.064 639 V CB -0.630 30.738 31.823 -0.757 0.000 0.675 639 V HN 0.192 nan 8.190 nan 0.000 0.461 640 L N -1.756 119.372 121.223 -0.159 0.000 2.298 640 L HA 0.057 4.397 4.340 -0.000 0.000 0.209 640 L C 2.370 179.200 176.870 -0.067 0.000 1.084 640 L CA 0.461 55.185 54.840 -0.193 0.000 0.816 640 L CB -0.325 41.554 42.059 -0.301 0.000 0.967 640 L HN 0.240 nan 8.230 nan 0.000 0.460 641 M N -0.190 119.504 119.600 0.157 0.000 2.296 641 M HA -0.170 4.309 4.480 -0.000 0.000 0.265 641 M C 1.987 178.434 176.300 0.246 0.000 1.064 641 M CA 1.381 56.873 55.300 0.319 0.000 1.109 641 M CB -0.643 32.123 32.600 0.277 0.000 1.396 641 M HN 0.270 nan 8.290 nan 0.000 0.430 642 E N -0.390 119.935 120.200 0.208 0.000 2.347 642 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 642 E C 1.760 178.442 176.600 0.136 0.000 1.008 642 E CA 0.587 57.105 56.400 0.196 0.000 0.852 642 E CB 0.331 30.198 29.700 0.279 0.000 0.783 642 E HN 0.302 nan 8.360 nan 0.000 0.505 643 M N 0.086 119.741 119.600 0.092 0.000 2.435 643 M HA 0.080 4.560 4.480 -0.000 0.000 0.265 643 M C 0.133 176.488 176.300 0.092 0.000 1.104 643 M CA 0.757 56.089 55.300 0.053 0.000 1.140 643 M CB 0.083 32.669 32.600 -0.023 0.000 1.372 643 M HN -0.081 nan 8.290 nan 0.000 0.456 644 D N 0.080 120.590 120.400 0.183 0.000 2.474 644 D HA 0.220 4.860 4.640 -0.000 0.000 0.234 644 D C -2.308 174.299 176.300 0.512 0.000 1.323 644 D CA -1.096 53.085 54.000 0.303 0.000 0.915 644 D CB 1.354 42.358 40.800 0.341 0.000 1.487 644 D HN -0.086 nan 8.370 nan 0.000 0.524 645 P HA 0.086 nan 4.420 nan 0.000 0.245 645 P C -0.538 176.880 177.300 0.197 0.000 1.206 645 P CA 0.568 63.831 63.100 0.272 0.000 0.781 645 P CB 0.184 31.987 31.700 0.171 0.000 0.994 646 E N -1.421 118.747 120.200 -0.053 0.000 2.409 646 E HA 0.277 4.627 4.350 -0.000 0.000 0.280 646 E C -1.209 174.897 176.600 -0.823 0.000 1.079 646 E CA -1.163 54.942 56.400 -0.492 0.000 0.840 646 E CB 0.427 30.037 29.700 -0.149 0.000 1.309 646 E HN -0.005 nan 8.360 nan 0.000 0.447 647 N N 0.151 118.192 118.700 -1.098 0.000 2.447 647 N HA 0.511 5.251 4.740 -0.000 0.000 0.271 647 N C -1.007 174.348 175.510 -0.258 0.000 1.226 647 N CA -0.919 51.760 53.050 -0.618 0.000 0.980 647 N CB 1.132 39.299 38.487 -0.534 0.000 1.206 647 N HN 0.506 nan 8.380 nan 0.000 0.558 648 E N -0.039 120.110 120.200 -0.085 0.000 2.278 648 E HA 0.262 4.612 4.350 -0.000 0.000 0.272 648 E C -1.381 175.320 176.600 0.168 0.000 0.890 648 E CA -0.845 55.549 56.400 -0.010 0.000 0.770 648 E CB 2.332 32.026 29.700 -0.009 0.000 1.212 648 E HN 0.332 nan 8.360 nan 0.000 0.415 649 V N 1.969 121.936 119.914 0.087 0.000 2.455 649 V HA 0.230 4.350 4.120 -0.000 0.000 0.273 649 V C -0.612 175.648 176.094 0.277 0.000 1.045 649 V CA -0.688 61.710 62.300 0.163 0.000 0.976 649 V CB -0.205 31.642 31.823 0.040 0.000 0.993 649 V HN 0.612 nan 8.190 nan 0.000 0.475 650 W N 6.168 127.490 121.300 0.037 0.000 2.358 650 W HA 0.709 5.369 4.660 -0.000 0.000 0.307 650 W C -0.328 176.179 176.519 -0.021 0.000 1.203 650 W CA -0.986 56.379 57.345 0.033 0.000 1.279 650 W CB 0.145 29.679 29.460 0.122 0.000 1.264 650 W HN 0.416 nan 8.180 nan 0.000 0.474 651 I N 1.188 121.813 120.570 0.091 0.000 2.689 651 I HA 0.278 4.448 4.170 -0.000 0.000 0.299 651 I C 0.276 176.402 176.117 0.015 0.000 1.059 651 I CA -1.487 59.804 61.300 -0.015 0.000 1.055 651 I CB 1.269 39.185 38.000 -0.140 0.000 1.243 651 I HN 0.297 nan 8.210 nan 0.000 0.425 652 H N 3.955 123.028 119.070 0.004 0.000 2.972 652 H HA 0.106 4.662 4.556 -0.000 0.000 0.343 652 H C 0.657 175.984 175.328 -0.000 0.000 1.054 652 H CA 0.890 56.958 56.048 0.033 0.000 1.412 652 H CB 1.132 30.936 29.762 0.071 0.000 1.385 652 H HN 0.640 nan 8.280 nan 0.000 0.600 653 K N 3.064 123.213 120.400 -0.418 0.000 2.127 653 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 653 K C 1.842 178.507 176.600 0.108 0.000 1.047 653 K CA 2.183 58.382 56.287 -0.146 0.000 0.927 653 K CB 0.120 32.478 32.500 -0.236 0.000 0.716 653 K HN 0.667 nan 8.250 nan 0.000 0.450 654 E N -0.188 120.266 120.200 0.422 0.000 2.285 654 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 654 E C 1.716 178.414 176.600 0.164 0.000 0.997 654 E CA 0.570 57.116 56.400 0.243 0.000 0.845 654 E CB 0.304 30.114 29.700 0.183 0.000 0.782 654 E HN 0.230 nan 8.360 nan 0.000 0.491 655 E N 0.294 120.614 120.200 0.200 0.000 2.060 655 E HA -0.050 4.300 4.350 -0.000 0.000 0.189 655 E C 2.098 178.752 176.600 0.091 0.000 0.974 655 E CA 0.857 57.347 56.400 0.151 0.000 0.808 655 E CB -0.237 29.574 29.700 0.185 0.000 0.768 655 E HN 0.204 nan 8.360 nan 0.000 0.453 656 A N 1.796 124.645 122.820 0.048 0.000 2.076 656 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 656 A C 2.109 179.705 177.584 0.019 0.000 1.160 656 A CA 1.559 53.600 52.037 0.008 0.000 0.653 656 A CB -0.368 18.614 19.000 -0.031 0.000 0.801 656 A HN 0.074 nan 8.150 nan 0.000 0.455 657 K N -0.669 119.753 120.400 0.035 0.000 2.076 657 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 657 K C 2.351 178.970 176.600 0.031 0.000 1.051 657 K CA 0.847 57.151 56.287 0.028 0.000 0.949 657 K CB -0.169 32.351 32.500 0.033 0.000 0.726 657 K HN 0.450 nan 8.250 nan 0.000 0.443 658 R N 0.856 121.383 120.500 0.045 0.000 2.073 658 R HA -0.031 4.309 4.340 -0.000 0.000 0.234 658 R C 1.026 177.349 176.300 0.038 0.000 1.134 658 R CA 0.582 56.706 56.100 0.041 0.000 0.952 658 R CB -0.301 30.030 30.300 0.051 0.000 0.850 658 R HN 0.087 nan 8.270 nan 0.000 0.433 659 L N -0.817 120.434 121.223 0.048 0.000 2.371 659 L HA 0.047 4.387 4.340 -0.000 0.000 0.234 659 L C 1.088 177.972 176.870 0.023 0.000 1.230 659 L CA 0.440 55.302 54.840 0.038 0.000 0.825 659 L CB 0.054 42.141 42.059 0.045 0.000 1.157 659 L HN 0.300 nan 8.230 nan 0.000 0.565 660 G N 1.180 109.989 108.800 0.015 0.000 4.699 660 G HA2 0.521 4.481 3.960 -0.000 0.000 0.308 660 G HA3 0.521 4.481 3.960 -0.000 0.000 0.308 660 G C -0.469 174.433 174.900 0.004 0.000 1.399 660 G CA -0.322 44.783 45.100 0.010 0.000 1.221 660 G HN 0.214 nan 8.290 nan 0.000 0.596 661 L N 1.134 122.356 121.223 -0.002 0.000 2.329 661 L HA 0.628 4.968 4.340 -0.000 0.000 0.279 661 L C 0.270 177.124 176.870 -0.027 0.000 1.014 661 L CA -0.907 53.925 54.840 -0.014 0.000 0.814 661 L CB 1.984 44.029 42.059 -0.024 0.000 1.257 661 L HN 0.262 nan 8.230 nan 0.000 0.424 662 K N 1.030 121.411 120.400 -0.032 0.000 2.208 662 K HA 0.446 4.766 4.320 -0.000 0.000 0.241 662 K C 0.285 176.847 176.600 -0.065 0.000 1.087 662 K CA -0.844 55.417 56.287 -0.043 0.000 0.883 662 K CB 1.262 33.745 32.500 -0.029 0.000 1.360 662 K HN 0.299 nan 8.250 nan 0.000 0.496 663 E N 0.285 120.444 120.200 -0.068 0.000 2.065 663 E HA -0.184 4.166 4.350 -0.000 0.000 0.201 663 E C 1.458 178.001 176.600 -0.095 0.000 1.016 663 E CA 2.421 58.768 56.400 -0.088 0.000 0.818 663 E CB -0.478 29.177 29.700 -0.075 0.000 0.749 663 E HN 0.767 nan 8.360 nan 0.000 0.453 664 G N -0.321 108.446 108.800 -0.054 0.000 3.284 664 G HA2 0.005 3.965 3.960 -0.000 0.000 0.236 664 G HA3 0.005 3.965 3.960 -0.000 0.000 0.236 664 G C -0.376 174.517 174.900 -0.011 0.000 1.158 664 G CA -0.294 44.786 45.100 -0.033 0.000 0.774 664 G HN 0.073 nan 8.290 nan 0.000 0.545 665 D N -0.149 120.220 120.400 -0.051 0.000 2.360 665 D HA 0.367 5.006 4.640 -0.000 0.000 0.242 665 D C -0.480 175.732 176.300 -0.146 0.000 1.184 665 D CA 0.295 54.299 54.000 0.007 0.000 0.930 665 D CB 0.829 41.624 40.800 -0.008 0.000 1.161 665 D HN 0.122 nan 8.370 nan 0.000 0.447 666 Y N -0.849 119.439 120.300 -0.019 0.000 2.598 666 Y HA 0.617 5.167 4.550 -0.000 0.000 0.340 666 Y C 0.050 175.941 175.900 -0.014 0.000 1.038 666 Y CA -0.738 57.351 58.100 -0.019 0.000 1.100 666 Y CB 1.830 40.279 38.460 -0.018 0.000 1.281 666 Y HN 0.012 nan 8.280 nan 0.000 0.488 667 V N 2.676 122.662 119.914 0.119 0.000 3.147 667 V HA 0.390 4.510 4.120 -0.000 0.000 0.299 667 V C -1.179 174.955 176.094 0.067 0.000 1.302 667 V CA -1.086 61.251 62.300 0.062 0.000 1.015 667 V CB 2.494 34.321 31.823 0.006 0.000 1.086 667 V HN 0.603 nan 8.190 nan 0.000 0.437 668 M N 4.078 123.708 119.600 0.049 0.000 2.363 668 M HA 0.566 5.046 4.480 -0.000 0.000 0.343 668 M C -0.784 175.540 176.300 0.040 0.000 1.165 668 M CA -0.377 54.950 55.300 0.044 0.000 1.046 668 M CB 1.305 33.926 32.600 0.036 0.000 1.648 668 M HN 0.360 nan 8.290 nan 0.000 0.452 669 L N 3.000 124.252 121.223 0.048 0.000 2.275 669 L HA 0.549 4.889 4.340 -0.000 0.000 0.288 669 L C -0.562 176.353 176.870 0.076 0.000 1.046 669 L CA -0.813 54.066 54.840 0.064 0.000 0.805 669 L CB 1.101 43.204 42.059 0.073 0.000 1.193 669 L HN 0.344 nan 8.230 nan 0.000 0.426 670 V N 2.922 122.888 119.914 0.086 0.000 2.448 670 V HA 0.306 4.426 4.120 -0.000 0.000 0.295 670 V C 0.030 176.253 176.094 0.215 0.000 1.025 670 V CA -0.831 61.537 62.300 0.114 0.000 0.859 670 V CB 1.453 33.322 31.823 0.076 0.000 0.988 670 V HN 0.911 nan 8.190 nan 0.000 0.431 671 N N 3.584 122.420 118.700 0.226 0.000 2.448 671 N HA 0.182 4.922 4.740 -0.000 0.000 0.274 671 N C 1.020 176.748 175.510 0.364 0.000 1.239 671 N CA -0.713 52.519 53.050 0.304 0.000 0.982 671 N CB 0.745 39.335 38.487 0.171 0.000 1.199 671 N HN 0.625 nan 8.380 nan 0.000 0.576 672 Q N -0.019 119.930 119.800 0.250 0.000 2.297 672 Q HA -0.192 4.148 4.340 -0.000 0.000 0.208 672 Q C -0.287 175.756 176.000 0.073 0.000 0.981 672 Q CA 1.668 57.489 55.803 0.030 0.000 0.876 672 Q CB -0.413 28.257 28.738 -0.113 0.000 0.921 672 Q HN 0.644 nan 8.270 nan 0.000 0.446 673 D N 0.088 120.540 120.400 0.087 0.000 2.388 673 D HA 0.227 4.867 4.640 -0.000 0.000 0.221 673 D C 0.749 177.096 176.300 0.079 0.000 1.133 673 D CA 0.633 54.670 54.000 0.062 0.000 0.831 673 D CB 0.566 41.385 40.800 0.032 0.000 0.962 673 D HN 0.494 nan 8.370 nan 0.000 0.502 674 G N 0.436 109.307 108.800 0.119 0.000 2.205 674 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.261 674 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.261 674 G C 0.570 175.523 174.900 0.089 0.000 0.980 674 G CA 0.223 45.386 45.100 0.105 0.000 0.632 674 G HN 0.316 nan 8.290 nan 0.000 0.533 675 V N 1.114 121.081 119.914 0.088 0.000 2.572 675 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 675 V C 0.794 176.939 176.094 0.085 0.000 1.039 675 V CA 0.424 62.772 62.300 0.081 0.000 1.055 675 V CB 1.321 33.192 31.823 0.081 0.000 0.969 675 V HN 0.356 nan 8.190 nan 0.000 0.482 676 K N 3.379 123.819 120.400 0.066 0.000 2.159 676 K HA 0.475 4.795 4.320 -0.000 0.000 0.266 676 K C -0.428 176.193 176.600 0.035 0.000 0.975 676 K CA -0.588 55.730 56.287 0.052 0.000 0.865 676 K CB 1.234 33.757 32.500 0.037 0.000 1.087 676 K HN 0.526 nan 8.250 nan 0.000 0.446 677 E N 1.584 121.804 120.200 0.033 0.000 2.182 677 E HA 0.195 4.545 4.350 -0.000 0.000 0.258 677 E C -0.221 176.382 176.600 0.005 0.000 0.879 677 E CA -0.477 55.927 56.400 0.007 0.000 0.754 677 E CB 1.518 31.235 29.700 0.030 0.000 1.162 677 E HN 0.840 nan 8.360 nan 0.000 0.419 678 G N 5.436 114.222 108.800 -0.023 0.000 3.214 678 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.226 678 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.226 678 G C -2.094 172.823 174.900 0.029 0.000 0.901 678 G CA -0.677 44.414 45.100 -0.014 0.000 0.988 678 G HN 0.311 nan 8.290 nan 0.000 0.422 679 P HA 0.238 nan 4.420 nan 0.000 0.267 679 P C -0.067 177.375 177.300 0.235 0.000 1.209 679 P CA -0.011 63.171 63.100 0.136 0.000 0.763 679 P CB 0.822 32.583 31.700 0.102 0.000 0.816 680 V N 3.175 123.205 119.914 0.194 0.000 2.715 680 V HA 0.502 4.622 4.120 -0.000 0.000 0.310 680 V C 0.703 176.663 176.094 -0.222 0.000 1.054 680 V CA -1.305 61.028 62.300 0.055 0.000 0.928 680 V CB 1.801 33.611 31.823 -0.021 0.000 1.007 680 V HN 0.412 nan 8.190 nan 0.000 0.437 681 R N 1.350 121.561 120.500 -0.482 0.000 2.543 681 R HA 0.506 4.846 4.340 -0.000 0.000 0.277 681 R C -0.774 175.284 176.300 -0.404 0.000 1.074 681 R CA -0.240 55.349 56.100 -0.852 0.000 1.076 681 R CB 1.219 31.116 30.300 -0.671 0.000 0.993 681 R HN 0.671 nan 8.270 nan 0.000 0.459 682 V N 4.486 124.174 119.914 -0.376 0.000 2.607 682 V HA 0.176 4.296 4.120 -0.000 0.000 0.289 682 V C 0.448 176.425 176.094 -0.195 0.000 1.053 682 V CA -0.059 62.116 62.300 -0.208 0.000 0.996 682 V CB 1.484 33.211 31.823 -0.160 0.000 0.995 682 V HN 0.628 nan 8.190 nan 0.000 0.476 683 K N 6.175 126.479 120.400 -0.160 0.000 2.827 683 K HA 0.316 4.636 4.320 -0.000 0.000 0.186 683 K C -2.324 174.136 176.600 -0.233 0.000 1.093 683 K CA -1.579 54.567 56.287 -0.235 0.000 0.993 683 K CB 1.771 34.064 32.500 -0.344 0.000 1.199 683 K HN 0.385 nan 8.250 nan 0.000 0.598 684 P HA -0.031 nan 4.420 nan 0.000 0.269 684 P C -0.342 176.831 177.300 -0.212 0.000 1.376 684 P CA 0.211 63.213 63.100 -0.163 0.000 0.775 684 P CB -0.499 31.126 31.700 -0.124 0.000 1.345 685 T N -1.761 112.624 114.554 -0.282 0.000 2.795 685 T HA 0.622 4.972 4.350 -0.000 0.000 0.282 685 T C 0.342 174.858 174.700 -0.308 0.000 0.980 685 T CA -0.879 61.044 62.100 -0.295 0.000 1.012 685 T CB 1.787 70.468 68.868 -0.311 0.000 0.936 685 T HN 0.101 nan 8.240 nan 0.000 0.457 686 A N 3.474 126.102 122.820 -0.321 0.000 2.492 686 A HA 0.547 4.867 4.320 -0.000 0.000 0.254 686 A C 0.942 178.435 177.584 -0.152 0.000 1.091 686 A CA -0.538 51.305 52.037 -0.322 0.000 0.768 686 A CB -0.049 18.674 19.000 -0.462 0.000 1.028 686 A HN 0.924 nan 8.150 nan 0.000 0.498 687 R N 1.228 121.732 120.500 0.008 0.000 2.483 687 R HA 0.160 4.500 4.340 -0.000 0.000 0.170 687 R C -1.189 175.294 176.300 0.305 0.000 0.555 687 R CA -0.001 56.163 56.100 0.106 0.000 0.781 687 R CB -0.353 30.045 30.300 0.163 0.000 1.238 687 R HN 0.714 nan 8.270 nan 0.000 0.549 688 I N 0.622 121.400 120.570 0.348 0.000 2.827 688 I HA 0.394 4.564 4.170 -0.000 0.000 0.298 688 I C -0.523 175.845 176.117 0.419 0.000 1.235 688 I CA -0.876 60.660 61.300 0.393 0.000 1.021 688 I CB 1.906 40.108 38.000 0.337 0.000 1.259 688 I HN -0.025 nan 8.210 nan 0.000 0.427 689 R N 4.350 125.053 120.500 0.338 0.000 2.863 689 R HA 0.200 4.540 4.340 -0.000 0.000 0.273 689 R C 0.370 176.814 176.300 0.240 0.000 1.057 689 R CA -0.262 55.981 56.100 0.239 0.000 1.191 689 R CB 0.280 30.674 30.300 0.156 0.000 1.104 689 R HN 0.535 nan 8.270 nan 0.000 0.519 690 K N 0.632 121.123 120.400 0.151 0.000 2.418 690 K HA -0.036 4.284 4.320 -0.000 0.000 0.195 690 K C 0.514 177.312 176.600 0.330 0.000 1.035 690 K CA 0.528 56.931 56.287 0.193 0.000 1.003 690 K CB 0.276 32.802 32.500 0.045 0.000 0.793 690 K HN 0.467 nan 8.250 nan 0.000 0.494 691 D N 0.214 120.765 120.400 0.251 0.000 2.347 691 D HA -0.030 4.610 4.640 -0.000 0.000 0.215 691 D C 0.533 177.060 176.300 0.378 0.000 0.976 691 D CA 0.619 54.765 54.000 0.243 0.000 0.884 691 D CB 0.165 41.070 40.800 0.176 0.000 0.915 691 D HN 0.122 nan 8.370 nan 0.000 0.526 692 C N -0.740 118.805 119.300 0.408 0.000 3.213 692 C HA 0.720 5.180 4.460 -0.000 0.000 0.319 692 C C -0.192 174.948 174.990 0.250 0.000 1.386 692 C CA -0.775 58.456 59.018 0.354 0.000 1.494 692 C CB 2.625 30.512 27.740 0.246 0.000 1.905 692 C HN -0.097 nan 8.230 nan 0.000 0.456 693 V N 0.448 120.494 119.914 0.220 0.000 3.012 693 V HA 0.621 4.741 4.120 -0.000 0.000 0.307 693 V C -1.903 174.310 176.094 0.197 0.000 1.166 693 V CA -0.444 61.941 62.300 0.141 0.000 0.974 693 V CB 2.243 34.095 31.823 0.047 0.000 1.040 693 V HN 0.838 nan 8.190 nan 0.000 0.428 694 Y N 5.814 126.129 120.300 0.024 0.000 2.492 694 Y HA 0.844 5.394 4.550 -0.000 0.000 0.346 694 Y C -0.802 175.034 175.900 -0.107 0.000 0.997 694 Y CA -0.818 57.208 58.100 -0.123 0.000 1.025 694 Y CB 1.832 40.066 38.460 -0.377 0.000 1.263 694 Y HN 0.671 nan 8.280 nan 0.000 0.454 695 I N 3.006 123.116 120.570 -0.766 0.000 2.802 695 I HA 0.677 4.847 4.170 -0.000 0.000 0.298 695 I C -1.598 174.102 176.117 -0.696 0.000 1.176 695 I CA -1.365 59.628 61.300 -0.511 0.000 1.025 695 I CB 2.010 39.916 38.000 -0.156 0.000 1.243 695 I HN 0.363 nan 8.210 nan 0.000 0.424 696 V N 3.423 123.127 119.914 -0.350 0.000 2.614 696 V HA 0.092 4.212 4.120 -0.000 0.000 0.291 696 V C 0.149 176.297 176.094 0.091 0.000 1.049 696 V CA 0.068 62.304 62.300 -0.107 0.000 1.038 696 V CB 0.561 32.453 31.823 0.115 0.000 0.980 696 V HN 0.841 nan 8.190 nan 0.000 0.481 697 H N 3.245 122.353 119.070 0.064 0.000 2.732 697 H HA 0.484 5.040 4.556 -0.000 0.000 0.351 697 H C 0.905 176.310 175.328 0.127 0.000 1.090 697 H CA 0.571 56.669 56.048 0.085 0.000 1.431 697 H CB 0.903 30.704 29.762 0.065 0.000 1.447 697 H HN 0.882 nan 8.280 nan 0.000 0.582 698 G N 2.573 110.905 108.800 -0.781 0.000 2.168 698 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.197 698 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.197 698 G C -0.345 174.259 174.900 -0.493 0.000 0.997 698 G CA 0.011 44.659 45.100 -0.754 0.000 0.658 698 G HN 0.489 nan 8.290 nan 0.000 0.513 699 F N -0.360 119.493 119.950 -0.161 0.000 2.544 699 F HA 0.625 5.152 4.527 -0.000 0.000 0.378 699 F C 1.636 177.442 175.800 0.010 0.000 1.112 699 F CA 0.351 58.323 58.000 -0.047 0.000 1.115 699 F CB 1.153 40.128 39.000 -0.042 0.000 1.436 699 F HN 0.782 nan 8.300 nan 0.000 0.496 700 G N 0.403 109.369 108.800 0.277 0.000 2.160 700 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 700 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 700 G C -0.204 174.748 174.900 0.086 0.000 1.022 700 G CA -0.473 44.694 45.100 0.111 0.000 0.741 700 G HN 0.693 nan 8.290 nan 0.000 0.508 701 H N 0.801 119.956 119.070 0.141 0.000 2.928 701 H HA 0.181 4.737 4.556 -0.000 0.000 0.338 701 H C 0.469 175.872 175.328 0.124 0.000 1.047 701 H CA 0.674 56.842 56.048 0.200 0.000 1.435 701 H CB 0.702 30.543 29.762 0.133 0.000 1.428 701 H HN 0.282 nan 8.280 nan 0.000 0.590 702 K N 1.835 122.418 120.400 0.305 0.000 2.423 702 K HA 0.535 4.855 4.320 -0.000 0.000 0.234 702 K C -0.734 176.141 176.600 0.458 0.000 1.051 702 K CA -0.713 55.780 56.287 0.343 0.000 1.021 702 K CB 1.127 33.739 32.500 0.187 0.000 1.474 702 K HN 0.527 nan 8.250 nan 0.000 0.474 703 A N 3.498 126.660 122.820 0.569 0.000 3.005 703 A HA 0.394 4.714 4.320 -0.000 0.000 0.308 703 A C -2.322 175.298 177.584 0.060 0.000 1.173 703 A CA -1.002 51.208 52.037 0.289 0.000 0.796 703 A CB 0.892 20.065 19.000 0.289 0.000 1.325 703 A HN 0.172 nan 8.150 nan 0.000 0.467 704 P HA -0.155 nan 4.420 nan 0.000 0.220 704 P C 1.260 178.445 177.300 -0.193 0.000 1.144 704 P CA 0.958 63.723 63.100 -0.558 0.000 0.800 704 P CB 0.199 31.636 31.700 -0.439 0.000 0.772 705 L N -2.651 118.517 121.223 -0.092 0.000 2.341 705 L HA 0.070 4.410 4.340 -0.000 0.000 0.214 705 L C 1.353 178.200 176.870 -0.038 0.000 1.115 705 L CA 0.444 55.248 54.840 -0.059 0.000 0.820 705 L CB -0.495 41.532 42.059 -0.055 0.000 0.944 705 L HN -0.017 nan 8.230 nan 0.000 0.452 706 M N 0.130 119.716 119.600 -0.023 0.000 2.497 706 M HA 0.115 4.595 4.480 -0.000 0.000 0.336 706 M C 1.003 177.308 176.300 0.009 0.000 1.378 706 M CA 0.107 55.390 55.300 -0.028 0.000 1.375 706 M CB 0.667 33.217 32.600 -0.083 0.000 1.337 706 M HN 0.071 nan 8.290 nan 0.000 0.461 707 R N 1.663 122.174 120.500 0.017 0.000 2.120 707 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 707 R C 1.251 177.595 176.300 0.072 0.000 1.123 707 R CA 1.230 57.356 56.100 0.045 0.000 0.975 707 R CB -0.227 30.090 30.300 0.029 0.000 0.866 707 R HN 0.647 nan 8.270 nan 0.000 0.446 708 L N -2.701 118.557 121.223 0.058 0.000 2.667 708 L HA 0.429 4.769 4.340 -0.000 0.000 0.232 708 L C 1.612 178.511 176.870 0.048 0.000 1.138 708 L CA -0.051 54.832 54.840 0.073 0.000 0.921 708 L CB 0.339 42.459 42.059 0.101 0.000 1.180 708 L HN -0.074 nan 8.230 nan 0.000 0.487 709 A N -1.088 121.725 122.820 -0.012 0.000 2.167 709 A HA 0.052 4.372 4.320 -0.000 0.000 0.208 709 A C 0.657 178.252 177.584 0.017 0.000 1.198 709 A CA -0.081 51.890 52.037 -0.111 0.000 0.863 709 A CB -0.344 18.363 19.000 -0.487 0.000 0.904 709 A HN 0.462 nan 8.150 nan 0.000 0.484 710 H N 0.150 119.219 119.070 -0.001 0.000 3.091 710 H HA 0.381 4.937 4.556 -0.000 0.000 0.289 710 H C 1.302 176.677 175.328 0.078 0.000 0.995 710 H CA 0.960 57.047 56.048 0.065 0.000 1.461 710 H CB -0.028 29.763 29.762 0.048 0.000 1.510 710 H HN 0.563 nan 8.280 nan 0.000 0.546 711 G N 4.496 112.993 108.800 -0.505 0.000 2.141 711 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.242 711 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.242 711 G C -0.075 174.768 174.900 -0.095 0.000 0.982 711 G CA 0.008 44.872 45.100 -0.394 0.000 0.662 711 G HN 0.730 nan 8.290 nan 0.000 0.527 712 R N 0.082 120.601 120.500 0.031 0.000 2.338 712 R HA 0.612 4.952 4.340 -0.000 0.000 0.317 712 R C 0.890 177.308 176.300 0.196 0.000 0.968 712 R CA -0.065 56.111 56.100 0.126 0.000 0.849 712 R CB 1.562 31.976 30.300 0.190 0.000 1.128 712 R HN 1.445 nan 8.270 nan 0.000 0.448 713 G N 1.543 110.399 108.800 0.093 0.000 2.796 713 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.226 713 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.226 713 G C -0.905 174.037 174.900 0.070 0.000 1.381 713 G CA -0.381 44.736 45.100 0.028 0.000 0.867 713 G HN 0.830 nan 8.290 nan 0.000 0.552 714 A N -0.666 122.184 122.820 0.051 0.000 2.337 714 A HA 0.865 5.185 4.320 -0.000 0.000 0.329 714 A C 0.466 178.102 177.584 0.087 0.000 1.146 714 A CA 0.895 52.961 52.037 0.049 0.000 0.800 714 A CB 1.670 20.689 19.000 0.033 0.000 1.220 714 A HN 2.281 nan 8.150 nan 0.000 0.472 715 S N 0.856 116.597 115.700 0.067 0.000 2.452 715 S HA 0.222 4.692 4.470 -0.000 0.000 0.284 715 S C 0.935 175.599 174.600 0.106 0.000 1.171 715 S CA -0.046 58.221 58.200 0.111 0.000 1.064 715 S CB 0.454 63.710 63.200 0.093 0.000 0.967 715 S HN 0.739 nan 8.310 nan 0.000 0.484 716 D N 4.504 124.968 120.400 0.106 0.000 2.117 716 D HA -0.213 4.427 4.640 -0.000 0.000 0.198 716 D C 1.408 177.694 176.300 -0.023 0.000 0.982 716 D CA 0.991 55.009 54.000 0.030 0.000 0.828 716 D CB -0.716 40.069 40.800 -0.024 0.000 0.967 716 D HN 0.705 nan 8.370 nan 0.000 0.464 717 N N -0.421 118.276 118.700 -0.006 0.000 2.166 717 N HA -0.190 4.550 4.740 -0.000 0.000 0.186 717 N C 1.547 176.978 175.510 -0.132 0.000 1.019 717 N CA 0.691 53.675 53.050 -0.110 0.000 0.856 717 N CB -0.177 38.243 38.487 -0.112 0.000 0.993 717 N HN 0.167 nan 8.380 nan 0.000 0.426 718 Y N 0.660 120.869 120.300 -0.151 0.000 2.574 718 Y HA 0.022 4.572 4.550 -0.000 0.000 0.294 718 Y C 1.807 177.660 175.900 -0.078 0.000 1.142 718 Y CA 0.654 58.673 58.100 -0.134 0.000 1.314 718 Y CB 0.184 38.565 38.460 -0.132 0.000 0.991 718 Y HN 0.103 nan 8.280 nan 0.000 0.555 719 L N -1.005 120.260 121.223 0.069 0.000 2.554 719 L HA 0.049 4.389 4.340 -0.000 0.000 0.225 719 L C 0.366 177.237 176.870 0.002 0.000 1.104 719 L CA 0.262 55.133 54.840 0.052 0.000 0.866 719 L CB 0.120 42.218 42.059 0.066 0.000 1.047 719 L HN -0.048 nan 8.230 nan 0.000 0.468 720 Q N -0.306 119.465 119.800 -0.049 0.000 2.844 720 Q HA 0.066 4.406 4.340 -0.000 0.000 0.235 720 Q C 1.022 176.986 176.000 -0.059 0.000 1.336 720 Q CA -0.106 55.654 55.803 -0.073 0.000 1.026 720 Q CB 0.765 29.422 28.738 -0.135 0.000 1.513 720 Q HN 0.048 nan 8.270 nan 0.000 0.577 721 T N 0.787 115.319 114.554 -0.037 0.000 2.896 721 T HA 0.025 4.375 4.350 -0.000 0.000 0.263 721 T C 0.484 175.177 174.700 -0.012 0.000 1.050 721 T CA 1.068 63.149 62.100 -0.032 0.000 1.140 721 T CB 0.318 69.173 68.868 -0.021 0.000 0.877 721 T HN 0.351 nan 8.240 nan 0.000 0.457 722 R N 0.057 120.542 120.500 -0.025 0.000 2.856 722 R HA 0.620 4.960 4.340 -0.000 0.000 0.258 722 R C -1.381 174.934 176.300 0.025 0.000 1.066 722 R CA -0.930 55.130 56.100 -0.068 0.000 1.045 722 R CB 1.261 31.492 30.300 -0.115 0.000 1.178 722 R HN 0.345 nan 8.270 nan 0.000 0.499 723 Y N -2.328 117.923 120.300 -0.082 0.000 2.592 723 Y HA 0.443 4.993 4.550 -0.000 0.000 0.334 723 Y C -1.417 174.450 175.900 -0.055 0.000 1.136 723 Y CA -1.383 56.669 58.100 -0.081 0.000 1.042 723 Y CB 1.402 39.806 38.460 -0.094 0.000 1.325 723 Y HN 0.371 nan 8.280 nan 0.000 0.457 724 K N 3.755 124.220 120.400 0.108 0.000 2.281 724 K HA 0.413 4.733 4.320 -0.000 0.000 0.272 724 K C -0.886 175.795 176.600 0.136 0.000 1.048 724 K CA -0.587 55.731 56.287 0.053 0.000 0.898 724 K CB 0.676 33.212 32.500 0.059 0.000 1.128 724 K HN 0.910 nan 8.250 nan 0.000 0.460 725 L N 3.915 125.218 121.223 0.133 0.000 2.584 725 L HA -0.022 4.318 4.340 -0.000 0.000 0.272 725 L C 0.064 176.957 176.870 0.039 0.000 1.195 725 L CA 0.215 55.139 54.840 0.139 0.000 0.920 725 L CB 0.293 42.441 42.059 0.147 0.000 1.173 725 L HN 0.755 nan 8.230 nan 0.000 0.489 726 D N 7.564 127.937 120.400 -0.045 0.000 2.371 726 D HA 0.079 4.719 4.640 -0.000 0.000 0.256 726 D C -1.565 174.706 176.300 -0.048 0.000 1.193 726 D CA -1.839 52.105 54.000 -0.093 0.000 0.881 726 D CB 1.322 42.006 40.800 -0.193 0.000 1.143 726 D HN 0.286 nan 8.370 nan 0.000 0.473 727 P HA 0.020 nan 4.420 nan 0.000 0.241 727 P C 1.245 178.657 177.300 0.188 0.000 1.191 727 P CA 0.478 63.658 63.100 0.134 0.000 0.771 727 P CB 0.578 32.343 31.700 0.108 0.000 0.929 728 I N -0.553 120.037 120.570 0.034 0.000 2.947 728 I HA 0.012 4.182 4.170 -0.000 0.000 0.263 728 I C 1.036 177.179 176.117 0.044 0.000 1.130 728 I CA 0.874 62.200 61.300 0.043 0.000 1.448 728 I CB 0.091 37.925 38.000 -0.278 0.000 1.222 728 I HN -0.028 nan 8.210 nan 0.000 0.453 729 S N 0.507 116.100 115.700 -0.178 0.000 2.143 729 S HA 0.336 4.806 4.470 -0.000 0.000 0.188 729 S C 1.200 175.489 174.600 -0.518 0.000 1.431 729 S CA 0.035 58.069 58.200 -0.276 0.000 1.253 729 S CB 0.292 63.291 63.200 -0.336 0.000 1.137 729 S HN 0.560 nan 8.310 nan 0.000 0.457 730 G N 1.727 109.866 108.800 -1.101 0.000 2.376 730 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.298 730 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.298 730 G C 0.795 175.218 174.900 -0.794 0.000 1.062 730 G CA 0.534 44.504 45.100 -1.885 0.000 0.682 730 G HN 1.312 nan 8.290 nan 0.000 0.567 731 G N -0.312 108.191 108.800 -0.494 0.000 2.380 731 G HA2 0.562 4.522 3.960 -0.000 0.000 0.242 731 G HA3 0.562 4.522 3.960 -0.000 0.000 0.242 731 G C 0.277 175.026 174.900 -0.252 0.000 1.298 731 G CA 0.514 45.406 45.100 -0.347 0.000 0.878 731 G HN 1.318 nan 8.290 nan 0.000 0.542 732 A N 2.386 125.039 122.820 -0.278 0.000 2.478 732 A HA 0.647 4.967 4.320 -0.000 0.000 0.327 732 A C 1.001 178.527 177.584 -0.097 0.000 1.431 732 A CA 0.060 51.959 52.037 -0.229 0.000 1.014 732 A CB 0.137 18.690 19.000 -0.744 0.000 1.143 732 A HN 1.350 nan 8.150 nan 0.000 0.532 733 G N 1.762 110.575 108.800 0.022 0.000 2.195 733 G HA2 0.273 4.233 3.960 -0.000 0.000 0.264 733 G HA3 0.273 4.233 3.960 -0.000 0.000 0.264 733 G C 0.668 175.589 174.900 0.036 0.000 1.148 733 G CA -0.238 44.877 45.100 0.024 0.000 1.023 733 G HN 0.754 nan 8.290 nan 0.000 0.429 734 L N 2.454 123.689 121.223 0.021 0.000 2.307 734 L HA 0.096 4.436 4.340 -0.000 0.000 0.211 734 L C 2.405 179.278 176.870 0.005 0.000 1.099 734 L CA 0.361 55.214 54.840 0.022 0.000 0.816 734 L CB -0.044 42.034 42.059 0.031 0.000 0.952 734 L HN 0.469 nan 8.230 nan 0.000 0.455 735 R N -0.116 120.329 120.500 -0.092 0.000 2.849 735 R HA 0.041 4.381 4.340 -0.000 0.000 0.238 735 R C 0.936 177.168 176.300 -0.114 0.000 1.403 735 R CA -0.003 55.983 56.100 -0.190 0.000 1.303 735 R CB 0.059 29.972 30.300 -0.645 0.000 1.191 735 R HN 0.132 nan 8.270 nan 0.000 0.533 736 V N 0.340 120.167 119.914 -0.146 0.000 3.528 736 V HA 0.058 4.178 4.120 -0.000 0.000 0.294 736 V C 0.057 175.746 176.094 -0.676 0.000 1.404 736 V CA 0.169 62.328 62.300 -0.234 0.000 1.065 736 V CB 0.004 31.791 31.823 -0.059 0.000 0.904 736 V HN 0.337 nan 8.190 nan 0.000 0.435 737 N N 0.300 118.697 118.700 -0.505 0.000 2.487 737 N HA 0.465 5.205 4.740 -0.000 0.000 0.292 737 N C -1.163 174.040 175.510 -0.513 0.000 1.108 737 N CA -0.049 52.707 53.050 -0.489 0.000 0.956 737 N CB 1.573 39.964 38.487 -0.161 0.000 1.176 737 N HN 0.151 nan 8.380 nan 0.000 0.484 738 F N 0.192 120.206 119.950 0.106 0.000 2.522 738 F HA 0.561 5.088 4.527 -0.000 0.000 0.324 738 F C 0.300 176.299 175.800 0.332 0.000 1.077 738 F CA -1.027 57.082 58.000 0.183 0.000 0.944 738 F CB 1.891 40.914 39.000 0.038 0.000 1.175 738 F HN -0.029 nan 8.300 nan 0.000 0.468 739 V N 3.137 123.435 119.914 0.640 0.000 2.925 739 V HA 0.657 4.777 4.120 -0.000 0.000 0.311 739 V C -1.152 175.183 176.094 0.400 0.000 1.104 739 V CA -0.672 61.927 62.300 0.498 0.000 0.954 739 V CB 2.442 34.445 31.823 0.300 0.000 1.022 739 V HN 0.875 nan 8.190 nan 0.000 0.427 740 R N 5.432 125.974 120.500 0.069 0.000 2.854 740 R HA 0.785 5.125 4.340 -0.000 0.000 0.271 740 R C -1.829 174.460 176.300 -0.019 0.000 0.994 740 R CA -0.915 55.094 56.100 -0.151 0.000 0.945 740 R CB 1.848 31.657 30.300 -0.819 0.000 1.194 740 R HN 0.579 nan 8.270 nan 0.000 0.476 741 L N 0.589 121.825 121.223 0.021 0.000 2.317 741 L HA 0.560 4.900 4.340 -0.000 0.000 0.281 741 L C -0.301 176.568 176.870 -0.002 0.000 1.024 741 L CA -0.812 54.039 54.840 0.018 0.000 0.810 741 L CB 1.533 43.603 42.059 0.019 0.000 1.240 741 L HN 0.780 nan 8.230 nan 0.000 0.427 742 E N 2.874 123.077 120.200 0.004 0.000 2.191 742 E HA 0.212 4.562 4.350 -0.000 0.000 0.263 742 E C -0.843 175.768 176.600 0.018 0.000 0.881 742 E CA -0.926 55.477 56.400 0.005 0.000 0.757 742 E CB 1.640 31.343 29.700 0.004 0.000 1.147 742 E HN 0.325 nan 8.360 nan 0.000 0.414 743 K N 2.108 122.519 120.400 0.018 0.000 2.524 743 K HA 0.153 4.473 4.320 -0.000 0.000 0.279 743 K C -0.871 175.752 176.600 0.038 0.000 0.993 743 K CA 0.426 56.730 56.287 0.029 0.000 1.030 743 K CB 0.804 33.318 32.500 0.023 0.000 0.891 743 K HN 0.589 nan 8.250 nan 0.000 0.488 744 A N 3.729 126.585 122.820 0.060 0.000 2.532 744 A HA 0.519 4.839 4.320 -0.000 0.000 0.290 744 A C -0.822 176.803 177.584 0.068 0.000 1.143 744 A CA -0.721 51.352 52.037 0.060 0.000 0.728 744 A CB 0.876 19.920 19.000 0.074 0.000 1.317 744 A HN 0.613 nan 8.150 nan 0.000 0.414 745 E N 0.849 121.065 120.200 0.026 0.000 2.349 745 E HA 0.232 4.582 4.350 -0.000 0.000 0.265 745 E C 0.195 176.743 176.600 -0.085 0.000 1.064 745 E CA -0.478 55.917 56.400 -0.009 0.000 0.886 745 E CB 0.962 30.642 29.700 -0.034 0.000 1.036 745 E HN 0.656 nan 8.360 nan 0.000 0.413 746 R N 2.729 123.139 120.500 -0.150 0.000 2.640 746 R HA 0.078 4.418 4.340 -0.000 0.000 0.270 746 R C -2.109 173.936 176.300 -0.424 0.000 1.024 746 R CA -0.707 55.098 56.100 -0.491 0.000 1.085 746 R CB 0.044 30.169 30.300 -0.293 0.000 0.963 746 R HN 0.176 nan 8.270 nan 0.000 0.426 747 P HA 0.212 nan 4.420 nan 0.000 0.281 747 P C -1.260 175.920 177.300 -0.199 0.000 1.249 747 P CA -0.503 62.421 63.100 -0.294 0.000 0.810 747 P CB 0.994 32.537 31.700 -0.262 0.000 1.008 748 R N 1.772 122.202 120.500 -0.116 0.000 2.288 748 R HA 0.622 4.962 4.340 -0.000 0.000 0.326 748 R C -0.283 175.989 176.300 -0.047 0.000 0.959 748 R CA -0.479 55.577 56.100 -0.074 0.000 0.834 748 R CB 0.750 31.018 30.300 -0.053 0.000 1.157 748 R HN 0.468 nan 8.270 nan 0.000 0.470 749 L N 2.715 123.917 121.223 -0.035 0.000 2.303 749 L HA 0.652 4.992 4.340 -0.000 0.000 0.256 749 L C -1.957 174.918 176.870 0.007 0.000 1.034 749 L CA -2.213 52.622 54.840 -0.008 0.000 0.832 749 L CB 1.697 43.752 42.059 -0.007 0.000 1.403 749 L HN 0.420 nan 8.230 nan 0.000 0.419 750 P HA 0.153 nan 4.420 nan 0.000 0.275 750 P C -0.905 176.408 177.300 0.022 0.000 1.266 750 P CA -0.551 62.563 63.100 0.024 0.000 0.793 750 P CB 0.603 32.324 31.700 0.035 0.000 1.074 751 S N 0.072 115.781 115.700 0.015 0.000 2.499 751 S HA 0.136 4.606 4.470 -0.000 0.000 0.275 751 S C 1.191 175.803 174.600 0.020 0.000 1.257 751 S CA -0.576 57.633 58.200 0.014 0.000 1.050 751 S CB -0.442 62.759 63.200 0.003 0.000 0.937 751 S HN 0.403 nan 8.310 nan 0.000 0.490 752 L N 4.247 125.491 121.223 0.035 0.000 2.093 752 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 752 L C 2.596 179.475 176.870 0.016 0.000 1.085 752 L CA 1.341 56.211 54.840 0.050 0.000 0.755 752 L CB -0.693 41.418 42.059 0.086 0.000 0.904 752 L HN 0.718 nan 8.230 nan 0.000 0.435 753 T N -0.734 113.815 114.554 -0.008 0.000 2.777 753 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 753 T C 1.757 176.400 174.700 -0.095 0.000 1.040 753 T CA 1.197 63.257 62.100 -0.066 0.000 1.141 753 T CB -0.473 68.366 68.868 -0.049 0.000 0.868 753 T HN 0.556 nan 8.240 nan 0.000 0.444 754 G N 1.645 110.414 108.800 -0.053 0.000 2.514 754 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 754 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 754 G C 1.485 176.350 174.900 -0.057 0.000 1.198 754 G CA 0.724 45.794 45.100 -0.050 0.000 0.780 754 G HN 0.435 nan 8.290 nan 0.000 0.565 755 L N 0.816 122.020 121.223 -0.031 0.000 1.989 755 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 755 L C 3.437 180.271 176.870 -0.059 0.000 1.071 755 L CA 1.186 56.016 54.840 -0.016 0.000 0.749 755 L CB -0.520 41.554 42.059 0.025 0.000 0.890 755 L HN 0.309 nan 8.230 nan 0.000 0.431 756 A N -0.223 122.528 122.820 -0.116 0.000 2.076 756 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 756 A C 2.204 179.447 177.584 -0.570 0.000 1.160 756 A CA 1.666 53.482 52.037 -0.369 0.000 0.653 756 A CB -0.400 18.318 19.000 -0.470 0.000 0.801 756 A HN 0.371 nan 8.150 nan 0.000 0.455 757 K N -0.635 119.566 120.400 -0.332 0.000 2.459 757 K HA 0.060 4.380 4.320 -0.000 0.000 0.193 757 K C 0.133 176.654 176.600 -0.132 0.000 1.030 757 K CA -0.178 55.949 56.287 -0.267 0.000 1.026 757 K CB 0.102 32.494 32.500 -0.180 0.000 0.809 757 K HN 0.362 nan 8.250 nan 0.000 0.504 758 R N 2.037 122.491 120.500 -0.077 0.000 2.502 758 R HA 0.003 4.343 4.340 -0.000 0.000 0.292 758 R C -2.412 173.917 176.300 0.048 0.000 0.998 758 R CA -1.001 55.099 56.100 -0.001 0.000 1.056 758 R CB -0.183 30.136 30.300 0.033 0.000 0.939 758 R HN -0.026 nan 8.270 nan 0.000 0.411 759 P HA -0.035 nan 4.420 nan 0.000 0.272 759 P C -1.033 176.387 177.300 0.201 0.000 1.223 759 P CA -0.232 62.934 63.100 0.110 0.000 0.784 759 P CB 0.436 32.172 31.700 0.061 0.000 0.923 760 F N 2.361 122.371 119.950 0.100 0.000 2.405 760 F HA 0.343 4.870 4.527 -0.000 0.000 0.355 760 F C -0.211 175.662 175.800 0.121 0.000 1.121 760 F CA -0.575 57.511 58.000 0.143 0.000 1.112 760 F CB 0.525 39.646 39.000 0.201 0.000 1.126 760 F HN 0.152 nan 8.300 nan 0.000 0.481 761 D N 4.692 124.787 120.400 -0.508 0.000 2.440 761 D HA 0.187 4.827 4.640 -0.000 0.000 0.239 761 D C -0.021 175.939 176.300 -0.566 0.000 1.084 761 D CA -0.369 53.388 54.000 -0.405 0.000 0.843 761 D CB 1.022 41.728 40.800 -0.158 0.000 1.097 761 D HN 0.689 nan 8.370 nan 0.000 0.531 762 E N 3.286 123.158 120.200 -0.546 0.000 2.438 762 E HA 0.086 4.436 4.350 -0.000 0.000 0.192 762 E C 0.663 177.108 176.600 -0.258 0.000 1.110 762 E CA -0.260 55.809 56.400 -0.552 0.000 0.893 762 E CB -0.067 29.378 29.700 -0.425 0.000 0.990 762 E HN 0.390 nan 8.360 nan 0.000 0.490 763 R N -0.536 119.913 120.500 -0.085 0.000 3.853 763 R HA -0.310 4.030 4.340 -0.000 0.000 0.440 763 R C 0.621 176.898 176.300 -0.038 0.000 0.241 763 R CA 2.257 58.352 56.100 -0.008 0.000 1.395 763 R CB -1.187 29.177 30.300 0.106 0.000 0.984 763 R HN 0.454 nan 8.270 nan 0.000 0.570 764 R N 0.000 120.492 120.500 -0.013 0.000 2.786 764 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 764 R CA 0.000 nan 56.100 nan 0.000 0.921 764 R CB 0.000 nan 30.300 nan 0.000 0.687 764 R HN 0.000 nan 8.270 nan 0.000 0.535