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 3k1q_1_X DATA FIRST_RESID 10 DATA SEQUENCE TYNITGDGNS FTPTSDMTST AAPAIDLKPG VLNPTGKLWR PVGTSVATID DATA SEQUENCE SLAIVSDRFG QYSFVNEGMR ETFSKALFDI NMWQPLFQAT KTGCGPIVLS DATA SEQUENCE SFTTTTSGYV GATAGDALDN PVTNGVFIST VQIMNLQRTI AARMRDVALW DATA SEQUENCE QKHLDTAMTM LTPDISAGSA SCNWKSLLAF AKDILPLDNL CLTYPNEFYN DATA SEQUENCE VAIHRYPALK PGNPDTKLPD AQAHPLGEVA GAFNAATSEV GSLVGSSSTL DATA SEQUENCE SQAISTMAGK DLDLIEADTP LPVSVFTPSL APRSYRPAFI KPEDAKWIAE DATA SEQUENCE FNNSSLIRKT LTYSGATYTV QLGPGPTRVI DMNAMIDSVL TLDVSGTILP DATA SEQUENCE YDTNPDLSTS VPAFVLIQTS VPIQQVTTAA NITAITVVSA AGASAINLAI DATA SEQUENCE NVRGQPRFNM LHLQATFERE TITGIPYIYG LGTFLIPSPT SSSNFSNPTL DATA SEQUENCE MDGLLTVTPV LLRETTYKGE VVDAIVPATV MANQTSEEVA SALANDAIVL DATA SEQUENCE VSNHLNKLAN VVGDAIPVAS RTDDSATSAI VSRLAVQHKL SQVGQASPTP DATA SEQUENCE PDYPLLWRRA KRAASMFVSN PSLALQVGIP VLTQSGMLSA LTSGVGTALR DATA SEQUENCE TGSLGKGVTD ASEKLRARQS LTVAKQAFFD QIGSLWPGK 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.607 174.700 -0.154 0.000 1.109 10 T CA 0.000 62.024 62.100 -0.127 0.000 1.349 10 T CB 0.000 68.731 68.868 -0.228 0.000 0.612 11 Y N 2.292 122.618 120.300 0.043 0.000 2.360 11 Y HA 0.676 5.226 4.550 0.000 0.000 0.337 11 Y C 0.256 176.159 175.900 0.006 0.000 1.039 11 Y CA -1.488 56.630 58.100 0.030 0.000 1.109 11 Y CB 0.467 38.954 38.460 0.045 0.000 1.201 11 Y HN 0.773 nan 8.280 nan 0.000 0.458 12 N N 3.773 122.481 118.700 0.013 0.000 2.236 12 N HA -0.136 4.604 4.740 0.000 0.000 0.274 12 N C 0.929 176.469 175.510 0.051 0.000 1.339 12 N CA 0.497 53.544 53.050 -0.005 0.000 0.845 12 N CB 0.365 38.855 38.487 0.006 0.000 1.091 12 N HN 0.881 nan 8.380 nan 0.000 0.489 13 I N 1.118 121.631 120.570 -0.095 0.000 2.493 13 I HA -0.063 4.107 4.170 0.000 0.000 0.254 13 I C 1.286 177.210 176.117 -0.322 0.000 1.160 13 I CA 0.916 62.065 61.300 -0.253 0.000 1.445 13 I CB -0.626 37.050 38.000 -0.539 0.000 1.086 13 I HN 0.553 nan 8.210 nan 0.000 0.433 14 T N -0.524 113.914 114.554 -0.194 0.000 3.624 14 T HA 0.593 4.943 4.350 0.000 0.000 0.231 14 T C 0.500 175.138 174.700 -0.104 0.000 0.865 14 T CA -0.157 61.846 62.100 -0.162 0.000 0.926 14 T CB -1.024 67.772 68.868 -0.121 0.000 1.189 14 T HN 0.486 nan 8.240 nan 0.000 0.640 15 G N 0.738 109.479 108.800 -0.098 0.000 2.788 15 G HA2 0.620 4.580 3.960 0.000 0.000 0.293 15 G HA3 0.620 4.580 3.960 0.000 0.000 0.293 15 G C -1.337 173.531 174.900 -0.053 0.000 1.305 15 G CA -0.959 44.109 45.100 -0.053 0.000 1.005 15 G HN 0.511 nan 8.290 nan 0.000 0.496 16 D N -1.760 118.625 120.400 -0.025 0.000 2.252 16 D HA 0.531 5.171 4.640 0.000 0.000 0.245 16 D C 0.689 176.995 176.300 0.010 0.000 1.009 16 D CA -0.049 53.944 54.000 -0.011 0.000 0.870 16 D CB 1.791 42.584 40.800 -0.011 0.000 1.251 16 D HN 1.331 nan 8.370 nan 0.000 0.460 17 G N 2.292 111.109 108.800 0.029 0.000 2.316 17 G HA2 -0.251 3.709 3.960 0.000 0.000 0.203 17 G HA3 -0.251 3.709 3.960 0.000 0.000 0.203 17 G C 0.033 174.986 174.900 0.089 0.000 0.999 17 G CA -0.072 45.056 45.100 0.046 0.000 0.649 17 G HN 0.846 nan 8.290 nan 0.000 0.489 18 N N 1.431 120.209 118.700 0.130 0.000 2.434 18 N HA 0.414 5.154 4.740 0.000 0.000 0.268 18 N C -0.003 175.771 175.510 0.441 0.000 1.256 18 N CA 0.801 54.019 53.050 0.280 0.000 0.914 18 N CB 1.306 39.949 38.487 0.260 0.000 1.088 18 N HN 0.296 nan 8.380 nan 0.000 0.478 19 S N 2.449 118.345 115.700 0.325 0.000 2.548 19 S HA 0.298 4.768 4.470 0.000 0.000 0.277 19 S C -0.862 173.729 174.600 -0.014 0.000 1.315 19 S CA -0.763 57.540 58.200 0.171 0.000 1.050 19 S CB -0.262 62.970 63.200 0.053 0.000 0.918 19 S HN 0.548 nan 8.310 nan 0.000 0.497 20 F N 5.182 124.941 119.950 -0.319 0.000 2.366 20 F HA 0.379 4.906 4.527 0.000 0.000 0.357 20 F C 0.248 175.794 175.800 -0.422 0.000 1.107 20 F CA -0.529 57.057 58.000 -0.689 0.000 1.208 20 F CB 0.585 39.130 39.000 -0.758 0.000 1.464 20 F HN 0.560 nan 8.300 nan 0.000 0.501 21 T N 2.959 117.215 114.554 -0.496 0.000 3.250 21 T HA 0.406 4.756 4.350 0.000 0.000 0.391 21 T C -3.007 171.413 174.700 -0.468 0.000 1.502 21 T CA -2.304 59.553 62.100 -0.406 0.000 1.320 21 T CB 0.566 69.314 68.868 -0.201 0.000 1.102 21 T HN 0.256 nan 8.240 nan 0.000 0.610 22 P HA 0.257 nan 4.420 nan 0.000 0.276 22 P C -0.095 177.062 177.300 -0.238 0.000 1.264 22 P CA 0.179 63.014 63.100 -0.442 0.000 0.769 22 P CB 0.575 31.950 31.700 -0.541 0.000 0.840 23 T N -1.300 113.148 114.554 -0.176 0.000 2.893 23 T HA 0.313 4.663 4.350 0.000 0.000 0.291 23 T C 1.372 176.025 174.700 -0.077 0.000 1.028 23 T CA -0.473 61.564 62.100 -0.106 0.000 0.995 23 T CB 1.181 69.994 68.868 -0.092 0.000 1.051 23 T HN 0.222 nan 8.240 nan 0.000 0.470 24 S N 0.488 116.159 115.700 -0.049 0.000 2.400 24 S HA -0.237 4.233 4.470 0.000 0.000 0.232 24 S C 1.508 176.094 174.600 -0.024 0.000 1.025 24 S CA 1.478 59.660 58.200 -0.030 0.000 0.993 24 S CB -0.770 62.420 63.200 -0.017 0.000 0.808 24 S HN 0.858 nan 8.310 nan 0.000 0.478 25 D N 1.137 121.516 120.400 -0.035 0.000 2.149 25 D HA -0.088 4.552 4.640 0.000 0.000 0.198 25 D C 0.890 177.166 176.300 -0.040 0.000 0.990 25 D CA 1.000 54.978 54.000 -0.036 0.000 0.839 25 D CB -0.031 40.745 40.800 -0.040 0.000 0.948 25 D HN 0.456 nan 8.370 nan 0.000 0.460 26 M N 0.982 120.548 119.600 -0.056 0.000 3.076 26 M HA 0.123 4.603 4.480 0.000 0.000 0.296 26 M C -0.606 175.668 176.300 -0.043 0.000 1.185 26 M CA -0.209 55.051 55.300 -0.066 0.000 0.932 26 M CB 1.478 34.006 32.600 -0.120 0.000 1.288 26 M HN -0.308 nan 8.290 nan 0.000 0.536 27 T N 0.909 115.454 114.554 -0.015 0.000 2.784 27 T HA 0.077 4.427 4.350 0.000 0.000 0.291 27 T C 0.652 175.378 174.700 0.044 0.000 0.942 27 T CA 0.041 62.144 62.100 0.004 0.000 1.161 27 T CB 0.235 69.111 68.868 0.013 0.000 0.885 27 T HN 0.418 nan 8.240 nan 0.000 0.534 28 S N 3.654 119.395 115.700 0.070 0.000 4.176 28 S HA 0.010 4.480 4.470 0.000 0.000 0.501 28 S C 0.631 175.318 174.600 0.145 0.000 0.996 28 S CA 0.235 58.537 58.200 0.170 0.000 1.361 28 S CB -0.414 62.846 63.200 0.099 0.000 0.860 28 S HN 0.833 nan 8.310 nan 0.000 0.534 29 T N 1.199 115.834 114.554 0.135 0.000 2.894 29 T HA 0.718 5.068 4.350 0.000 0.000 0.309 29 T C -0.476 174.252 174.700 0.047 0.000 1.208 29 T CA 0.130 62.284 62.100 0.090 0.000 1.016 29 T CB 1.582 70.490 68.868 0.066 0.000 1.192 29 T HN 0.719 nan 8.240 nan 0.000 0.491 30 A N 1.672 124.518 122.820 0.043 0.000 2.686 30 A HA 0.970 5.290 4.320 0.000 0.000 0.263 30 A C -0.800 176.799 177.584 0.025 0.000 1.264 30 A CA -0.312 51.729 52.037 0.007 0.000 0.799 30 A CB 0.669 19.687 19.000 0.030 0.000 1.363 30 A HN 1.323 nan 8.150 nan 0.000 0.507 31 A N 0.631 123.466 122.820 0.026 0.000 2.511 31 A HA 0.621 4.941 4.320 0.000 0.000 0.340 31 A C -1.803 175.815 177.584 0.056 0.000 1.396 31 A CA -1.257 50.803 52.037 0.039 0.000 0.887 31 A CB -0.420 18.598 19.000 0.029 0.000 1.145 31 A HN 0.435 nan 8.150 nan 0.000 0.497 32 P HA 0.086 nan 4.420 nan 0.000 0.215 32 P C 0.475 177.806 177.300 0.051 0.000 1.157 32 P CA 1.799 64.939 63.100 0.066 0.000 0.863 32 P CB 0.310 32.048 31.700 0.064 0.000 0.787 33 A N -1.230 121.614 122.820 0.039 0.000 2.604 33 A HA 0.612 4.932 4.320 0.000 0.000 0.295 33 A C -1.216 176.386 177.584 0.030 0.000 1.067 33 A CA -0.642 51.414 52.037 0.030 0.000 0.683 33 A CB 0.689 19.705 19.000 0.026 0.000 1.281 33 A HN 0.037 nan 8.150 nan 0.000 0.407 34 I N -1.586 119.004 120.570 0.034 0.000 2.750 34 I HA 0.717 4.887 4.170 0.000 0.000 0.308 34 I C -0.268 175.875 176.117 0.044 0.000 1.016 34 I CA -0.836 60.491 61.300 0.045 0.000 1.098 34 I CB 1.229 39.270 38.000 0.068 0.000 1.279 34 I HN 0.491 nan 8.210 nan 0.000 0.454 35 D N 2.633 123.051 120.400 0.029 0.000 2.412 35 D HA 0.181 4.821 4.640 0.000 0.000 0.257 35 D C -0.348 175.974 176.300 0.036 0.000 1.217 35 D CA 0.559 54.571 54.000 0.020 0.000 0.897 35 D CB 0.518 41.316 40.800 -0.003 0.000 1.132 35 D HN 0.659 nan 8.370 nan 0.000 0.493 36 L N 3.967 125.213 121.223 0.039 0.000 3.186 36 L HA 0.267 4.607 4.340 0.000 0.000 0.292 36 L C 0.042 176.927 176.870 0.025 0.000 1.303 36 L CA -0.447 54.423 54.840 0.050 0.000 0.940 36 L CB -0.086 42.019 42.059 0.077 0.000 1.358 36 L HN 0.230 nan 8.230 nan 0.000 0.581 37 K N 0.478 120.882 120.400 0.008 0.000 2.350 37 K HA 0.208 4.528 4.320 0.000 0.000 0.279 37 K C -1.615 174.984 176.600 -0.001 0.000 1.027 37 K CA -1.297 54.991 56.287 0.002 0.000 0.969 37 K CB 1.270 33.767 32.500 -0.005 0.000 0.954 37 K HN -0.006 nan 8.250 nan 0.000 0.474 38 P HA -0.190 nan 4.420 nan 0.000 0.215 38 P C 0.993 178.291 177.300 -0.004 0.000 1.157 38 P CA 1.613 64.713 63.100 0.001 0.000 0.874 38 P CB 0.039 31.741 31.700 0.003 0.000 0.790 39 G N -0.492 108.306 108.800 -0.004 0.000 2.547 39 G HA2 -0.303 3.657 3.960 0.000 0.000 0.221 39 G HA3 -0.303 3.657 3.960 0.000 0.000 0.221 39 G C 1.623 176.515 174.900 -0.012 0.000 1.140 39 G CA 1.102 46.199 45.100 -0.005 0.000 0.760 39 G HN 0.223 nan 8.290 nan 0.000 0.583 40 V N 0.583 120.485 119.914 -0.019 0.000 2.871 40 V HA 0.031 4.151 4.120 0.000 0.000 0.256 40 V C 2.802 178.863 176.094 -0.054 0.000 1.082 40 V CA 0.962 63.241 62.300 -0.035 0.000 1.105 40 V CB -0.072 31.729 31.823 -0.038 0.000 0.713 40 V HN 0.362 nan 8.190 nan 0.000 0.473 41 L N 0.325 121.522 121.223 -0.043 0.000 2.187 41 L HA -0.192 4.148 4.340 0.000 0.000 0.213 41 L C 2.316 179.153 176.870 -0.054 0.000 1.100 41 L CA 1.648 56.455 54.840 -0.055 0.000 0.765 41 L CB -0.794 41.250 42.059 -0.025 0.000 0.904 41 L HN 0.477 nan 8.230 nan 0.000 0.437 42 N N 0.568 119.251 118.700 -0.028 0.000 2.022 42 N HA -0.109 4.631 4.740 0.000 0.000 0.195 42 N C -1.434 174.075 175.510 -0.003 0.000 1.063 42 N CA 0.572 53.617 53.050 -0.008 0.000 0.851 42 N CB -0.907 37.587 38.487 0.012 0.000 1.050 42 N HN 0.041 nan 8.380 nan 0.000 0.425 43 P HA -0.141 nan 4.420 nan 0.000 0.191 43 P C -0.515 176.832 177.300 0.078 0.000 0.906 43 P CA 0.949 64.075 63.100 0.044 0.000 1.011 43 P CB -0.134 31.586 31.700 0.034 0.000 1.090 44 T N 0.906 115.530 114.554 0.117 0.000 3.498 44 T HA 0.234 4.584 4.350 0.000 0.000 0.118 44 T C 0.271 175.059 174.700 0.146 0.000 0.639 44 T CA 0.458 62.627 62.100 0.115 0.000 0.726 44 T CB -0.650 68.277 68.868 0.099 0.000 0.861 44 T HN 0.222 nan 8.240 nan 0.000 0.232 45 G N 3.142 112.060 108.800 0.197 0.000 2.299 45 G HA2 0.436 4.396 3.960 0.000 0.000 0.256 45 G HA3 0.436 4.396 3.960 0.000 0.000 0.256 45 G C -0.298 174.754 174.900 0.254 0.000 1.259 45 G CA 0.169 45.413 45.100 0.241 0.000 0.943 45 G HN 0.549 nan 8.290 nan 0.000 0.479 46 K N 2.335 122.884 120.400 0.247 0.000 2.237 46 K HA 0.326 4.646 4.320 0.000 0.000 0.270 46 K C -0.152 176.527 176.600 0.131 0.000 1.015 46 K CA -0.607 55.738 56.287 0.096 0.000 0.949 46 K CB 0.979 33.418 32.500 -0.102 0.000 0.976 46 K HN 0.333 nan 8.250 nan 0.000 0.472 47 L N 5.014 126.259 121.223 0.036 0.000 2.290 47 L HA 0.415 4.755 4.340 0.000 0.000 0.284 47 L C -1.120 175.766 176.870 0.027 0.000 1.078 47 L CA -0.018 54.912 54.840 0.150 0.000 0.815 47 L CB 0.237 42.406 42.059 0.183 0.000 1.162 47 L HN 0.689 nan 8.230 nan 0.000 0.435 48 W N 4.316 125.687 121.300 0.118 0.000 3.307 48 W HA 0.731 5.391 4.660 0.000 0.000 0.325 48 W C -0.622 176.009 176.519 0.187 0.000 1.255 48 W CA -0.827 56.580 57.345 0.104 0.000 1.006 48 W CB 0.771 30.284 29.460 0.088 0.000 1.608 48 W HN 0.128 nan 8.180 nan 0.000 0.620 49 R N 0.590 121.329 120.500 0.398 0.000 2.604 49 R HA 0.254 4.594 4.340 0.000 0.000 0.270 49 R C -2.776 173.557 176.300 0.054 0.000 1.052 49 R CA -2.528 53.736 56.100 0.273 0.000 0.902 49 R CB 0.958 31.360 30.300 0.170 0.000 1.233 49 R HN 0.063 nan 8.270 nan 0.000 0.455 50 P HA 0.014 nan 4.420 nan 0.000 0.244 50 P C 0.464 177.746 177.300 -0.030 0.000 1.723 50 P CA 0.392 63.426 63.100 -0.108 0.000 1.110 50 P CB 0.082 31.733 31.700 -0.082 0.000 1.972 51 V N 1.715 121.612 119.914 -0.029 0.000 0.588 51 V HA -0.374 3.746 4.120 0.000 0.000 0.092 51 V C 1.730 177.834 176.094 0.016 0.000 1.830 51 V CA 2.566 64.864 62.300 -0.003 0.000 3.401 51 V CB -2.316 29.500 31.823 -0.012 0.000 0.689 51 V HN 0.593 nan 8.190 nan 0.000 0.712 52 G N -1.927 106.885 108.800 0.020 0.000 3.990 52 G HA2 0.219 4.179 3.960 0.000 0.000 0.213 52 G HA3 0.219 4.179 3.960 0.000 0.000 0.213 52 G C 0.171 175.089 174.900 0.029 0.000 0.849 52 G CA 0.894 46.011 45.100 0.028 0.000 0.857 52 G HN 1.472 nan 8.290 nan 0.000 0.484 53 T N 0.932 115.499 114.554 0.021 0.000 2.698 53 T HA 0.535 4.885 4.350 0.000 0.000 0.295 53 T C 1.418 176.136 174.700 0.031 0.000 1.007 53 T CA 0.726 62.839 62.100 0.022 0.000 0.980 53 T CB 0.853 69.728 68.868 0.012 0.000 1.036 53 T HN 1.074 nan 8.240 nan 0.000 0.526 54 S N -0.486 115.231 115.700 0.029 0.000 2.650 54 S HA 0.172 4.642 4.470 0.000 0.000 0.251 54 S C 0.373 174.998 174.600 0.041 0.000 1.325 54 S CA -0.936 57.285 58.200 0.035 0.000 0.967 54 S CB -0.356 62.860 63.200 0.025 0.000 1.000 54 S HN 0.683 nan 8.310 nan 0.000 0.584 55 V N 1.542 121.483 119.914 0.046 0.000 2.287 55 V HA 0.531 4.651 4.120 0.000 0.000 0.246 55 V C 0.882 176.996 176.094 0.033 0.000 1.165 55 V CA 0.666 62.998 62.300 0.055 0.000 1.088 55 V CB -0.970 30.891 31.823 0.062 0.000 1.242 55 V HN 1.051 nan 8.190 nan 0.000 0.497 56 A N 3.349 126.182 122.820 0.023 0.000 1.519 56 A HA 0.085 4.405 4.320 0.000 0.000 0.210 56 A C 1.625 179.200 177.584 -0.014 0.000 1.889 56 A CA 0.594 52.634 52.037 0.005 0.000 1.478 56 A CB -0.024 18.978 19.000 0.003 0.000 1.432 56 A HN 0.595 nan 8.150 nan 0.000 0.340 57 T N 0.684 115.225 114.554 -0.022 0.000 3.541 57 T HA 0.119 4.469 4.350 0.000 0.000 0.255 57 T C 1.424 176.062 174.700 -0.103 0.000 1.158 57 T CA 0.849 62.919 62.100 -0.051 0.000 1.000 57 T CB -1.089 67.754 68.868 -0.042 0.000 1.008 57 T HN 0.379 nan 8.240 nan 0.000 0.568 58 I N 2.926 123.431 120.570 -0.109 0.000 2.229 58 I HA -0.339 3.831 4.170 0.000 0.000 0.250 58 I C 2.691 178.679 176.117 -0.214 0.000 1.096 58 I CA 1.989 63.179 61.300 -0.183 0.000 1.358 58 I CB -0.712 37.243 38.000 -0.076 0.000 1.047 58 I HN 0.466 nan 8.210 nan 0.000 0.422 59 D N 0.289 120.607 120.400 -0.136 0.000 2.239 59 D HA -0.150 4.490 4.640 0.000 0.000 0.202 59 D C 0.667 176.880 176.300 -0.145 0.000 0.993 59 D CA 1.035 54.961 54.000 -0.125 0.000 0.874 59 D CB -0.119 40.632 40.800 -0.081 0.000 0.922 59 D HN 0.358 nan 8.370 nan 0.000 0.464 60 S N -0.274 115.331 115.700 -0.158 0.000 2.561 60 S HA 0.572 5.042 4.470 0.000 0.000 0.303 60 S C -0.375 174.117 174.600 -0.181 0.000 1.110 60 S CA -0.850 57.268 58.200 -0.137 0.000 1.034 60 S CB 1.910 65.065 63.200 -0.076 0.000 1.010 60 S HN 0.165 nan 8.310 nan 0.000 0.482 61 L N 2.169 123.290 121.223 -0.169 0.000 2.386 61 L HA 0.875 5.215 4.340 0.000 0.000 0.271 61 L C -0.189 176.821 176.870 0.233 0.000 0.993 61 L CA -1.030 53.772 54.840 -0.063 0.000 0.819 61 L CB 1.791 43.687 42.059 -0.271 0.000 1.294 61 L HN 0.665 nan 8.230 nan 0.000 0.414 62 A N 3.008 125.980 122.820 0.254 0.000 2.304 62 A HA 0.760 5.080 4.320 0.000 0.000 0.323 62 A C -0.220 177.481 177.584 0.194 0.000 1.195 62 A CA -0.639 51.532 52.037 0.223 0.000 0.826 62 A CB 0.597 19.640 19.000 0.071 0.000 1.184 62 A HN 0.715 nan 8.150 nan 0.000 0.496 63 I N 1.946 122.466 120.570 -0.083 0.000 2.710 63 I HA 0.337 4.507 4.170 0.000 0.000 0.286 63 I C 0.869 176.831 176.117 -0.258 0.000 1.181 63 I CA -0.595 60.482 61.300 -0.372 0.000 1.430 63 I CB -0.264 37.302 38.000 -0.722 0.000 1.367 63 I HN 0.595 nan 8.210 nan 0.000 0.577 64 V N 2.439 122.202 119.914 -0.251 0.000 3.747 64 V HA 0.021 4.141 4.120 0.000 0.000 0.299 64 V C 0.923 176.757 176.094 -0.435 0.000 1.103 64 V CA -0.032 62.108 62.300 -0.267 0.000 1.154 64 V CB 0.633 32.344 31.823 -0.188 0.000 1.127 64 V HN 1.000 nan 8.190 nan 0.000 0.482 65 S N 1.233 116.640 115.700 -0.488 0.000 3.530 65 S HA 0.108 4.578 4.470 0.000 0.000 0.279 65 S C 0.990 175.077 174.600 -0.856 0.000 1.280 65 S CA 0.023 57.845 58.200 -0.630 0.000 0.946 65 S CB -1.155 61.688 63.200 -0.594 0.000 1.501 65 S HN 1.038 nan 8.310 nan 0.000 0.498 66 D N 4.518 124.397 120.400 -0.870 0.000 2.178 66 D HA -0.210 4.430 4.640 0.000 0.000 0.201 66 D C 1.691 177.593 176.300 -0.663 0.000 0.980 66 D CA 0.747 54.080 54.000 -1.111 0.000 0.842 66 D CB -0.279 40.047 40.800 -0.790 0.000 0.948 66 D HN 0.527 nan 8.370 nan 0.000 0.472 67 R N -0.250 119.883 120.500 -0.611 0.000 2.224 67 R HA -0.233 4.107 4.340 0.000 0.000 0.255 67 R C 1.086 177.147 176.300 -0.398 0.000 1.130 67 R CA 2.634 58.400 56.100 -0.557 0.000 0.957 67 R CB -0.458 29.387 30.300 -0.758 0.000 0.907 67 R HN 0.517 nan 8.270 nan 0.000 0.446 68 F N -4.988 114.925 119.950 -0.061 0.000 3.083 68 F HA 0.549 5.076 4.527 0.000 0.000 0.355 68 F C 0.150 176.001 175.800 0.086 0.000 1.194 68 F CA -0.147 57.871 58.000 0.030 0.000 1.027 68 F CB 0.184 39.196 39.000 0.019 0.000 1.386 68 F HN 0.080 nan 8.300 nan 0.000 0.513 69 G N -0.032 108.716 108.800 -0.087 0.000 2.619 69 G HA2 0.330 4.290 3.960 0.000 0.000 0.146 69 G HA3 0.330 4.290 3.960 0.000 0.000 0.146 69 G C -1.384 173.019 174.900 -0.828 0.000 1.192 69 G CA -0.722 44.343 45.100 -0.059 0.000 1.063 69 G HN -0.031 nan 8.290 nan 0.000 0.538 70 Q N 0.715 119.503 119.800 -1.688 0.000 3.970 70 Q HA -0.034 4.306 4.340 0.000 0.000 0.367 70 Q C -0.803 174.633 176.000 -0.940 0.000 1.189 70 Q CA 0.979 55.718 55.803 -1.774 0.000 1.212 70 Q CB -0.999 27.247 28.738 -0.820 0.000 1.037 70 Q HN 0.453 nan 8.270 nan 0.000 0.474 71 Y N -0.812 119.077 120.300 -0.686 0.000 2.780 71 Y HA 0.415 4.965 4.550 0.000 0.000 0.340 71 Y C 1.287 177.190 175.900 0.005 0.000 1.216 71 Y CA -1.173 56.830 58.100 -0.162 0.000 1.245 71 Y CB 0.596 39.068 38.460 0.020 0.000 1.492 71 Y HN 0.242 nan 8.280 nan 0.000 0.660 72 S N 0.638 116.478 115.700 0.234 0.000 2.560 72 S HA -0.068 4.402 4.470 0.000 0.000 0.276 72 S C -0.607 174.053 174.600 0.100 0.000 1.350 72 S CA -0.426 57.862 58.200 0.146 0.000 1.024 72 S CB -0.226 63.039 63.200 0.109 0.000 0.864 72 S HN 0.360 nan 8.310 nan 0.000 0.536 73 F N 3.087 123.121 119.950 0.140 0.000 2.539 73 F HA 0.043 4.570 4.527 0.000 0.000 0.393 73 F C 0.312 176.156 175.800 0.073 0.000 1.032 73 F CA -0.036 58.029 58.000 0.108 0.000 1.120 73 F CB -0.205 38.848 39.000 0.088 0.000 1.014 73 F HN 0.218 nan 8.300 nan 0.000 0.546 74 V N 5.792 125.015 119.914 -1.151 0.000 2.763 74 V HA -0.133 3.987 4.120 0.000 0.000 0.306 74 V C 0.702 176.592 176.094 -0.340 0.000 1.059 74 V CA -0.546 61.406 62.300 -0.580 0.000 1.138 74 V CB 0.336 31.875 31.823 -0.472 0.000 0.940 74 V HN 0.675 nan 8.190 nan 0.000 0.489 75 N N 3.331 121.920 118.700 -0.185 0.000 2.399 75 N HA -0.049 4.691 4.740 0.000 0.000 0.284 75 N C 1.244 176.687 175.510 -0.112 0.000 1.283 75 N CA 0.494 53.477 53.050 -0.112 0.000 0.972 75 N CB 0.034 38.434 38.487 -0.145 0.000 1.328 75 N HN 0.835 nan 8.380 nan 0.000 0.486 76 E N 2.555 122.747 120.200 -0.013 0.000 2.172 76 E HA -0.289 4.061 4.350 0.000 0.000 0.213 76 E C 1.365 177.925 176.600 -0.067 0.000 1.051 76 E CA 1.975 58.374 56.400 -0.001 0.000 0.860 76 E CB -0.120 29.616 29.700 0.060 0.000 0.755 76 E HN 0.784 nan 8.360 nan 0.000 0.462 77 G N 0.468 109.213 108.800 -0.092 0.000 2.394 77 G HA2 -0.242 3.718 3.960 0.000 0.000 0.215 77 G HA3 -0.242 3.718 3.960 0.000 0.000 0.215 77 G C 1.488 176.246 174.900 -0.237 0.000 1.165 77 G CA 0.698 45.720 45.100 -0.129 0.000 0.784 77 G HN 0.264 nan 8.290 nan 0.000 0.535 78 M N 1.148 120.554 119.600 -0.323 0.000 2.132 78 M HA -0.070 4.410 4.480 0.000 0.000 0.263 78 M C 2.867 178.818 176.300 -0.582 0.000 1.065 78 M CA 1.715 56.645 55.300 -0.618 0.000 1.122 78 M CB -0.142 32.102 32.600 -0.593 0.000 1.365 78 M HN 0.352 nan 8.290 nan 0.000 0.411 79 R N 0.039 120.355 120.500 -0.307 0.000 2.094 79 R HA -0.190 4.150 4.340 0.000 0.000 0.239 79 R C 1.742 177.956 176.300 -0.144 0.000 1.137 79 R CA 2.041 58.031 56.100 -0.183 0.000 0.943 79 R CB -1.194 29.033 30.300 -0.120 0.000 0.850 79 R HN 0.497 nan 8.270 nan 0.000 0.433 80 E N 0.716 120.832 120.200 -0.140 0.000 2.051 80 E HA -0.178 4.172 4.350 0.000 0.000 0.192 80 E C 2.295 178.812 176.600 -0.138 0.000 0.991 80 E CA 2.077 58.409 56.400 -0.113 0.000 0.799 80 E CB -0.243 29.409 29.700 -0.080 0.000 0.748 80 E HN 0.666 nan 8.360 nan 0.000 0.449 81 T N 0.201 114.660 114.554 -0.159 0.000 2.607 81 T HA -0.204 4.146 4.350 0.000 0.000 0.267 81 T C 1.827 176.552 174.700 0.041 0.000 1.049 81 T CA 1.273 63.310 62.100 -0.106 0.000 1.162 81 T CB -0.646 68.130 68.868 -0.154 0.000 0.863 81 T HN -0.026 nan 8.240 nan 0.000 0.424 82 F N 1.969 121.812 119.950 -0.179 0.000 2.120 82 F HA -0.017 4.510 4.527 0.000 0.000 0.300 82 F C 3.215 178.847 175.800 -0.280 0.000 1.095 82 F CA 0.504 58.379 58.000 -0.208 0.000 1.249 82 F CB -1.662 37.223 39.000 -0.192 0.000 0.995 82 F HN 0.327 nan 8.300 nan 0.000 0.480 83 S N -0.135 115.477 115.700 -0.147 0.000 2.368 83 S HA -0.169 4.301 4.470 0.000 0.000 0.225 83 S C 2.220 176.283 174.600 -0.896 0.000 1.030 83 S CA 1.120 59.082 58.200 -0.396 0.000 0.999 83 S CB -0.113 62.905 63.200 -0.302 0.000 0.844 83 S HN 0.153 nan 8.310 nan 0.000 0.459 84 K N 1.694 121.671 120.400 -0.705 0.000 2.063 84 K HA 0.011 4.331 4.320 0.000 0.000 0.208 84 K C 2.380 178.760 176.600 -0.366 0.000 1.048 84 K CA 1.356 57.248 56.287 -0.658 0.000 0.928 84 K CB -1.315 31.030 32.500 -0.258 0.000 0.713 84 K HN 0.463 nan 8.250 nan 0.000 0.442 85 A N 1.663 124.355 122.820 -0.214 0.000 1.883 85 A HA -0.177 4.143 4.320 0.000 0.000 0.217 85 A C 2.248 179.763 177.584 -0.114 0.000 1.186 85 A CA 1.571 53.538 52.037 -0.117 0.000 0.624 85 A CB -0.710 18.225 19.000 -0.108 0.000 0.822 85 A HN 0.236 nan 8.150 nan 0.000 0.444 86 L N -0.779 120.339 121.223 -0.176 0.000 2.127 86 L HA -0.106 4.234 4.340 0.000 0.000 0.211 86 L C 2.178 179.099 176.870 0.084 0.000 1.089 86 L CA 1.655 56.447 54.840 -0.080 0.000 0.757 86 L CB -0.682 41.321 42.059 -0.093 0.000 0.899 86 L HN 0.499 nan 8.230 nan 0.000 0.434 87 F N -0.538 119.390 119.950 -0.037 0.000 2.234 87 F HA -0.225 4.302 4.527 0.000 0.000 0.299 87 F C 2.054 177.829 175.800 -0.042 0.000 1.087 87 F CA 0.445 58.420 58.000 -0.042 0.000 1.340 87 F CB -0.423 38.551 39.000 -0.043 0.000 1.031 87 F HN 0.175 nan 8.300 nan 0.000 0.500 88 D N 1.153 121.637 120.400 0.140 0.000 2.154 88 D HA -0.246 4.394 4.640 0.000 0.000 0.190 88 D C 2.139 178.578 176.300 0.231 0.000 1.003 88 D CA 1.615 55.678 54.000 0.104 0.000 0.849 88 D CB -0.236 40.640 40.800 0.125 0.000 0.942 88 D HN 0.095 nan 8.370 nan 0.000 0.446 89 I N 0.732 121.420 120.570 0.196 0.000 2.286 89 I HA -0.197 3.973 4.170 0.000 0.000 0.248 89 I C 1.625 177.796 176.117 0.090 0.000 1.115 89 I CA 1.202 62.571 61.300 0.115 0.000 1.392 89 I CB -1.335 36.550 38.000 -0.193 0.000 1.065 89 I HN 0.154 nan 8.210 nan 0.000 0.418 90 N N 1.181 119.922 118.700 0.068 0.000 2.205 90 N HA -0.197 4.543 4.740 0.000 0.000 0.186 90 N C 1.826 177.373 175.510 0.061 0.000 1.015 90 N CA 1.169 54.247 53.050 0.047 0.000 0.862 90 N CB -0.266 38.246 38.487 0.043 0.000 0.986 90 N HN 0.386 nan 8.380 nan 0.000 0.429 91 M N -0.702 118.928 119.600 0.050 0.000 2.267 91 M HA -0.130 4.350 4.480 0.000 0.000 0.263 91 M C 0.809 177.161 176.300 0.087 0.000 1.063 91 M CA 1.280 56.539 55.300 -0.069 0.000 1.090 91 M CB -0.090 32.322 32.600 -0.314 0.000 1.392 91 M HN 0.286 nan 8.290 nan 0.000 0.422 92 W N 0.479 121.880 121.300 0.169 0.000 3.102 92 W HA 0.219 4.879 4.660 0.000 0.000 0.401 92 W C 1.559 178.268 176.519 0.316 0.000 1.070 92 W CA -0.338 57.191 57.345 0.307 0.000 1.921 92 W CB -0.418 29.373 29.460 0.553 0.000 1.118 92 W HN 0.416 nan 8.180 nan 0.000 0.647 93 Q N 1.558 121.562 119.800 0.340 0.000 2.096 93 Q HA -0.217 4.123 4.340 0.000 0.000 0.208 93 Q C -0.133 175.997 176.000 0.217 0.000 0.993 93 Q CA 2.429 58.365 55.803 0.221 0.000 0.862 93 Q CB -0.870 27.925 28.738 0.095 0.000 0.915 93 Q HN 0.023 nan 8.270 nan 0.000 0.416 94 P HA -0.181 nan 4.420 nan 0.000 0.218 94 P C 1.247 178.582 177.300 0.057 0.000 1.148 94 P CA 1.011 64.172 63.100 0.102 0.000 0.822 94 P CB 0.006 31.752 31.700 0.075 0.000 0.784 95 L N -1.424 119.854 121.223 0.093 0.000 2.068 95 L HA 0.072 4.412 4.340 0.000 0.000 0.204 95 L C 2.528 179.320 176.870 -0.129 0.000 1.076 95 L CA 1.419 56.180 54.840 -0.131 0.000 0.753 95 L CB -1.538 40.353 42.059 -0.280 0.000 0.910 95 L HN -0.262 nan 8.230 nan 0.000 0.439 96 F N 0.323 120.313 119.950 0.066 0.000 2.063 96 F HA -0.345 4.182 4.527 0.000 0.000 0.298 96 F C 2.740 178.565 175.800 0.042 0.000 1.109 96 F CA 2.241 60.336 58.000 0.159 0.000 1.212 96 F CB -0.551 38.568 39.000 0.199 0.000 0.973 96 F HN 0.205 nan 8.300 nan 0.000 0.480 97 Q N -0.650 119.283 119.800 0.222 0.000 2.096 97 Q HA -0.232 4.108 4.340 0.000 0.000 0.204 97 Q C 2.408 178.423 176.000 0.024 0.000 0.982 97 Q CA 1.646 57.514 55.803 0.107 0.000 0.850 97 Q CB -0.418 28.370 28.738 0.083 0.000 0.901 97 Q HN 0.468 nan 8.270 nan 0.000 0.422 98 A N 0.286 123.086 122.820 -0.034 0.000 1.969 98 A HA -0.146 4.174 4.320 0.000 0.000 0.218 98 A C 2.125 179.624 177.584 -0.142 0.000 1.169 98 A CA 1.705 53.681 52.037 -0.101 0.000 0.635 98 A CB -0.764 18.136 19.000 -0.166 0.000 0.810 98 A HN 0.540 nan 8.150 nan 0.000 0.445 99 T N -3.230 111.215 114.554 -0.181 0.000 3.163 99 T HA 0.088 4.438 4.350 0.000 0.000 0.260 99 T C 0.704 175.366 174.700 -0.063 0.000 1.156 99 T CA 0.809 62.806 62.100 -0.171 0.000 1.072 99 T CB -0.385 68.353 68.868 -0.217 0.000 0.937 99 T HN 0.420 nan 8.240 nan 0.000 0.528 100 K N 1.345 121.734 120.400 -0.017 0.000 2.975 100 K HA -0.144 4.176 4.320 0.000 0.000 0.257 100 K C 0.445 177.072 176.600 0.044 0.000 1.005 100 K CA 1.201 57.499 56.287 0.019 0.000 0.738 100 K CB -2.412 30.090 32.500 0.003 0.000 1.236 100 K HN 0.774 nan 8.250 nan 0.000 0.483 101 T N -2.779 111.822 114.554 0.079 0.000 3.285 101 T HA 0.440 4.790 4.350 0.000 0.000 0.232 101 T C 1.119 175.929 174.700 0.183 0.000 0.973 101 T CA -0.185 61.975 62.100 0.100 0.000 1.023 101 T CB 0.587 69.472 68.868 0.029 0.000 1.158 101 T HN 0.623 nan 8.240 nan 0.000 0.590 102 G N 0.297 109.175 108.800 0.129 0.000 2.258 102 G HA2 -0.371 3.589 3.960 0.000 0.000 0.274 102 G HA3 -0.371 3.589 3.960 0.000 0.000 0.274 102 G C 1.345 176.324 174.900 0.131 0.000 1.021 102 G CA 0.090 45.258 45.100 0.113 0.000 0.798 102 G HN 0.816 nan 8.290 nan 0.000 0.507 103 C N 0.262 119.671 119.300 0.182 0.000 2.396 103 C HA 0.107 4.567 4.460 0.000 0.000 0.279 103 C C 2.607 177.615 174.990 0.030 0.000 1.229 103 C CA 1.405 60.515 59.018 0.153 0.000 1.801 103 C CB -1.257 26.600 27.740 0.196 0.000 2.050 103 C HN 1.786 nan 8.230 nan 0.000 0.491 104 G N 3.351 112.177 108.800 0.043 0.000 2.193 104 G HA2 0.156 4.116 3.960 0.000 0.000 0.275 104 G HA3 0.156 4.116 3.960 0.000 0.000 0.275 104 G C -1.648 173.260 174.900 0.013 0.000 0.882 104 G CA -0.166 44.950 45.100 0.028 0.000 1.135 104 G HN 0.722 nan 8.290 nan 0.000 0.349 105 P HA -0.068 nan 4.420 nan 0.000 0.253 105 P C 1.434 178.753 177.300 0.033 0.000 1.170 105 P CA -0.089 63.014 63.100 0.005 0.000 0.806 105 P CB 0.474 32.181 31.700 0.013 0.000 0.775 106 I N 3.937 124.526 120.570 0.031 0.000 2.161 106 I HA -0.366 3.804 4.170 0.000 0.000 0.246 106 I C 1.195 177.383 176.117 0.119 0.000 1.048 106 I CA 2.001 63.346 61.300 0.075 0.000 1.314 106 I CB -0.790 37.233 38.000 0.037 0.000 1.014 106 I HN 0.429 nan 8.210 nan 0.000 0.418 107 V N -1.361 118.603 119.914 0.084 0.000 5.981 107 V HA -0.248 3.872 4.120 0.000 0.000 0.233 107 V C 0.882 177.048 176.094 0.120 0.000 0.653 107 V CA 0.563 62.920 62.300 0.095 0.000 0.677 107 V CB -2.101 29.773 31.823 0.084 0.000 0.632 107 V HN 0.359 nan 8.190 nan 0.000 0.464 108 L N 3.667 124.909 121.223 0.031 0.000 2.103 108 L HA -0.198 4.142 4.340 0.000 0.000 0.215 108 L C 2.800 179.688 176.870 0.030 0.000 1.080 108 L CA 3.088 57.888 54.840 -0.066 0.000 0.764 108 L CB -0.391 41.609 42.059 -0.098 0.000 0.890 108 L HN 1.240 nan 8.230 nan 0.000 0.435 109 S N -2.392 113.337 115.700 0.048 0.000 2.407 109 S HA -0.262 4.208 4.470 0.000 0.000 0.235 109 S C 1.977 176.619 174.600 0.070 0.000 1.036 109 S CA 1.602 59.830 58.200 0.047 0.000 1.013 109 S CB -0.936 62.292 63.200 0.047 0.000 0.820 109 S HN 0.534 nan 8.310 nan 0.000 0.476 110 S N 1.423 117.202 115.700 0.131 0.000 2.402 110 S HA 0.097 4.567 4.470 0.000 0.000 0.229 110 S C 1.347 176.014 174.600 0.111 0.000 1.021 110 S CA 1.140 59.405 58.200 0.107 0.000 0.974 110 S CB -0.529 62.729 63.200 0.097 0.000 0.800 110 S HN 0.583 nan 8.310 nan 0.000 0.484 111 F N 2.262 122.164 119.950 -0.079 0.000 2.206 111 F HA 0.012 4.539 4.527 0.000 0.000 0.298 111 F C 1.969 177.624 175.800 -0.242 0.000 1.090 111 F CA 0.631 58.559 58.000 -0.119 0.000 1.323 111 F CB -1.527 37.421 39.000 -0.087 0.000 1.028 111 F HN 0.079 nan 8.300 nan 0.000 0.492 112 T N 0.360 114.896 114.554 -0.030 0.000 3.738 112 T HA 0.169 4.519 4.350 0.000 0.000 0.231 112 T C 0.213 174.763 174.700 -0.251 0.000 0.967 112 T CA -0.356 61.628 62.100 -0.194 0.000 1.227 112 T CB -1.319 67.475 68.868 -0.123 0.000 1.136 112 T HN 0.140 nan 8.240 nan 0.000 0.807 113 T N 0.646 114.882 114.554 -0.530 0.000 2.928 113 T HA 0.528 4.878 4.350 0.000 0.000 0.284 113 T C 0.595 175.170 174.700 -0.209 0.000 1.008 113 T CA -1.000 60.850 62.100 -0.416 0.000 1.057 113 T CB 1.164 69.790 68.868 -0.403 0.000 1.018 113 T HN 0.649 nan 8.240 nan 0.000 0.493 114 T N -0.172 114.435 114.554 0.087 0.000 2.902 114 T HA 0.306 4.656 4.350 0.000 0.000 0.301 114 T C 0.088 175.025 174.700 0.393 0.000 1.012 114 T CA -0.487 61.731 62.100 0.197 0.000 1.151 114 T CB 0.276 69.235 68.868 0.150 0.000 0.946 114 T HN 0.720 nan 8.240 nan 0.000 0.542 115 T N 2.321 117.103 114.554 0.381 0.000 2.807 115 T HA 0.548 4.898 4.350 0.000 0.000 0.279 115 T C -0.848 173.985 174.700 0.222 0.000 0.993 115 T CA -0.612 61.685 62.100 0.329 0.000 0.970 115 T CB 1.157 70.254 68.868 0.381 0.000 0.950 115 T HN 0.772 nan 8.240 nan 0.000 0.441 116 S N 2.929 118.718 115.700 0.150 0.000 2.779 116 S HA 0.784 5.254 4.470 0.000 0.000 0.293 116 S C 0.064 174.710 174.600 0.076 0.000 1.150 116 S CA 0.345 58.605 58.200 0.101 0.000 1.057 116 S CB 0.387 63.634 63.200 0.078 0.000 1.021 116 S HN 1.271 nan 8.310 nan 0.000 0.485 117 G N 3.489 112.313 108.800 0.040 0.000 2.534 117 G HA2 0.167 4.127 3.960 0.000 0.000 0.142 117 G HA3 0.167 4.127 3.960 0.000 0.000 0.142 117 G C -1.964 172.857 174.900 -0.130 0.000 1.178 117 G CA -0.607 44.485 45.100 -0.013 0.000 1.037 117 G HN 0.511 nan 8.290 nan 0.000 0.474 118 Y N 0.320 120.710 120.300 0.151 0.000 2.308 118 Y HA 0.537 5.087 4.550 0.000 0.000 0.329 118 Y C 0.512 176.564 175.900 0.253 0.000 1.111 118 Y CA -0.389 57.798 58.100 0.145 0.000 1.179 118 Y CB 1.966 40.474 38.460 0.079 0.000 1.201 118 Y HN 0.258 nan 8.280 nan 0.000 0.483 119 V N 3.008 123.079 119.914 0.261 0.000 2.334 119 V HA 0.863 4.983 4.120 0.000 0.000 0.281 119 V C 0.201 176.430 176.094 0.226 0.000 1.016 119 V CA -0.498 61.964 62.300 0.271 0.000 0.832 119 V CB 0.695 32.629 31.823 0.185 0.000 0.999 119 V HN 0.937 nan 8.190 nan 0.000 0.439 120 G N 2.328 111.334 108.800 0.343 0.000 2.616 120 G HA2 0.578 4.538 3.960 0.000 0.000 0.294 120 G HA3 0.578 4.538 3.960 0.000 0.000 0.294 120 G C 0.340 175.471 174.900 0.386 0.000 1.489 120 G CA 0.131 45.372 45.100 0.234 0.000 0.836 120 G HN 0.769 nan 8.290 nan 0.000 0.527 121 A N 0.206 123.165 122.820 0.231 0.000 1.869 121 A HA 0.212 4.532 4.320 0.000 0.000 0.218 121 A C 1.793 179.546 177.584 0.281 0.000 1.203 121 A CA 2.780 54.950 52.037 0.222 0.000 0.638 121 A CB -1.059 18.020 19.000 0.131 0.000 0.831 121 A HN 2.042 nan 8.150 nan 0.000 0.450 122 T N -5.177 109.475 114.554 0.163 0.000 2.918 122 T HA 0.678 5.028 4.350 0.000 0.000 0.286 122 T C 1.001 175.572 174.700 -0.215 0.000 1.026 122 T CA -0.017 62.148 62.100 0.108 0.000 1.031 122 T CB 1.692 70.586 68.868 0.044 0.000 1.046 122 T HN 0.849 nan 8.240 nan 0.000 0.479 123 A N 2.549 125.134 122.820 -0.392 0.000 1.881 123 A HA 0.013 4.333 4.320 0.000 0.000 0.219 123 A C 2.440 179.730 177.584 -0.489 0.000 1.215 123 A CA 2.739 54.295 52.037 -0.802 0.000 0.648 123 A CB -1.977 16.790 19.000 -0.388 0.000 0.832 123 A HN 1.467 nan 8.150 nan 0.000 0.455 124 G N 0.886 109.536 108.800 -0.250 0.000 2.859 124 G HA2 -0.512 3.448 3.960 0.000 0.000 0.236 124 G HA3 -0.512 3.448 3.960 0.000 0.000 0.236 124 G C 1.056 175.856 174.900 -0.165 0.000 1.207 124 G CA 2.349 47.350 45.100 -0.165 0.000 0.769 124 G HN 0.812 nan 8.290 nan 0.000 0.674 125 D N 0.882 121.202 120.400 -0.132 0.000 2.149 125 D HA 0.151 4.791 4.640 0.000 0.000 0.198 125 D C 2.419 178.647 176.300 -0.119 0.000 0.990 125 D CA 1.953 55.895 54.000 -0.095 0.000 0.839 125 D CB -0.694 40.086 40.800 -0.034 0.000 0.948 125 D HN 0.498 nan 8.370 nan 0.000 0.460 126 A N 0.434 123.105 122.820 -0.248 0.000 2.015 126 A HA -0.015 4.305 4.320 0.000 0.000 0.219 126 A C 2.335 179.789 177.584 -0.217 0.000 1.163 126 A CA 1.015 52.873 52.037 -0.299 0.000 0.646 126 A CB -0.901 17.570 19.000 -0.882 0.000 0.806 126 A HN 0.333 nan 8.150 nan 0.000 0.448 127 L N -0.414 120.619 121.223 -0.317 0.000 2.081 127 L HA -0.263 4.077 4.340 0.000 0.000 0.212 127 L C 1.852 178.695 176.870 -0.044 0.000 1.080 127 L CA 1.828 56.512 54.840 -0.260 0.000 0.754 127 L CB -0.799 41.117 42.059 -0.239 0.000 0.893 127 L HN 0.291 nan 8.230 nan 0.000 0.433 128 D N -0.846 119.545 120.400 -0.015 0.000 2.224 128 D HA -0.081 4.559 4.640 0.000 0.000 0.205 128 D C 0.714 177.057 176.300 0.071 0.000 0.965 128 D CA 0.761 54.779 54.000 0.031 0.000 0.852 128 D CB -0.119 40.677 40.800 -0.007 0.000 0.947 128 D HN 0.216 nan 8.370 nan 0.000 0.494 129 N N 0.352 119.114 118.700 0.103 0.000 2.483 129 N HA 0.279 5.019 4.740 0.000 0.000 0.267 129 N C -2.872 172.652 175.510 0.023 0.000 0.998 129 N CA -1.809 51.274 53.050 0.056 0.000 0.918 129 N CB 1.853 40.361 38.487 0.035 0.000 1.215 129 N HN -0.218 nan 8.380 nan 0.000 0.500 130 P HA 0.293 nan 4.420 nan 0.000 0.307 130 P C -1.300 175.855 177.300 -0.241 0.000 1.412 130 P CA -0.660 62.166 63.100 -0.456 0.000 0.985 130 P CB 2.131 33.311 31.700 -0.867 0.000 1.098 131 V N 3.134 122.941 119.914 -0.177 0.000 2.305 131 V HA 0.229 4.349 4.120 0.000 0.000 0.275 131 V C 0.598 176.650 176.094 -0.070 0.000 1.020 131 V CA -0.366 61.866 62.300 -0.113 0.000 0.811 131 V CB 1.103 32.859 31.823 -0.111 0.000 1.031 131 V HN 0.648 nan 8.190 nan 0.000 0.439 132 T N 1.397 115.906 114.554 -0.075 0.000 2.851 132 T HA 0.257 4.607 4.350 0.000 0.000 0.298 132 T C 0.532 175.238 174.700 0.010 0.000 0.977 132 T CA -0.140 61.942 62.100 -0.030 0.000 1.126 132 T CB 0.067 68.911 68.868 -0.040 0.000 0.916 132 T HN 0.745 nan 8.240 nan 0.000 0.529 133 N N 1.559 120.290 118.700 0.052 0.000 2.650 133 N HA -0.144 4.596 4.740 0.000 0.000 0.272 133 N C 0.606 176.188 175.510 0.120 0.000 1.058 133 N CA 0.750 53.853 53.050 0.088 0.000 0.765 133 N CB -1.004 37.523 38.487 0.067 0.000 0.902 133 N HN 1.006 nan 8.380 nan 0.000 0.551 134 G N -0.322 108.599 108.800 0.202 0.000 2.882 134 G HA2 0.708 4.668 3.960 0.000 0.000 0.164 134 G HA3 0.708 4.668 3.960 0.000 0.000 0.164 134 G C -0.219 174.898 174.900 0.361 0.000 1.429 134 G CA 0.142 45.470 45.100 0.380 0.000 1.059 134 G HN 0.829 nan 8.290 nan 0.000 0.581 135 V N -2.220 117.942 119.914 0.413 0.000 2.851 135 V HA 0.781 4.901 4.120 0.000 0.000 0.307 135 V C -0.885 175.095 176.094 -0.189 0.000 1.129 135 V CA -1.148 61.169 62.300 0.028 0.000 0.932 135 V CB 1.137 32.902 31.823 -0.098 0.000 1.024 135 V HN 1.022 nan 8.190 nan 0.000 0.426 136 F N 3.187 123.083 119.950 -0.091 0.000 2.594 136 F HA 0.942 5.469 4.527 0.000 0.000 0.335 136 F C -0.869 174.922 175.800 -0.015 0.000 1.058 136 F CA -1.530 56.434 58.000 -0.060 0.000 0.981 136 F CB 1.837 40.873 39.000 0.060 0.000 1.289 136 F HN 0.695 nan 8.300 nan 0.000 0.490 137 I N 1.455 122.037 120.570 0.020 0.000 2.686 137 I HA 0.439 4.609 4.170 0.000 0.000 0.295 137 I C -0.930 175.337 176.117 0.249 0.000 1.114 137 I CA -0.585 60.718 61.300 0.005 0.000 1.038 137 I CB 2.147 40.098 38.000 -0.082 0.000 1.238 137 I HN 0.880 nan 8.210 nan 0.000 0.420 138 S N 3.229 119.112 115.700 0.304 0.000 2.554 138 S HA 0.221 4.691 4.470 0.000 0.000 0.278 138 S C 1.334 175.815 174.600 -0.198 0.000 1.242 138 S CA 0.195 58.458 58.200 0.104 0.000 1.051 138 S CB 1.295 64.807 63.200 0.520 0.000 0.986 138 S HN 0.847 nan 8.310 nan 0.000 0.502 139 T N 3.090 117.320 114.554 -0.541 0.000 2.620 139 T HA -0.208 4.142 4.350 0.000 0.000 0.267 139 T C 1.794 176.476 174.700 -0.030 0.000 1.044 139 T CA 2.211 64.165 62.100 -0.244 0.000 1.161 139 T CB -1.337 67.466 68.868 -0.107 0.000 0.862 139 T HN 0.514 nan 8.240 nan 0.000 0.438 140 V N 2.287 122.240 119.914 0.065 0.000 2.231 140 V HA -0.303 3.817 4.120 0.000 0.000 0.248 140 V C 3.022 179.186 176.094 0.116 0.000 1.054 140 V CA 2.432 64.793 62.300 0.102 0.000 1.015 140 V CB -1.199 30.712 31.823 0.148 0.000 0.638 140 V HN 0.551 nan 8.190 nan 0.000 0.444 141 Q N -0.074 119.823 119.800 0.160 0.000 2.030 141 Q HA -0.207 4.133 4.340 0.000 0.000 0.204 141 Q C 2.297 178.483 176.000 0.310 0.000 0.986 141 Q CA 2.388 58.352 55.803 0.270 0.000 0.843 141 Q CB -0.485 28.444 28.738 0.318 0.000 0.904 141 Q HN 0.866 nan 8.270 nan 0.000 0.420 142 I N -1.940 118.705 120.570 0.125 0.000 2.264 142 I HA -0.286 3.884 4.170 0.000 0.000 0.248 142 I C 2.461 178.579 176.117 0.001 0.000 1.111 142 I CA 1.003 62.309 61.300 0.009 0.000 1.382 142 I CB -0.551 37.422 38.000 -0.043 0.000 1.060 142 I HN 0.199 nan 8.210 nan 0.000 0.418 143 M N 2.406 122.020 119.600 0.025 0.000 2.110 143 M HA -0.288 4.192 4.480 0.000 0.000 0.257 143 M C 1.995 178.315 176.300 0.034 0.000 1.071 143 M CA 2.419 57.731 55.300 0.020 0.000 1.096 143 M CB -1.325 31.295 32.600 0.032 0.000 1.300 143 M HN 0.419 nan 8.290 nan 0.000 0.411 144 N N -0.149 118.606 118.700 0.092 0.000 2.188 144 N HA -0.140 4.600 4.740 0.000 0.000 0.184 144 N C 1.559 177.154 175.510 0.141 0.000 1.018 144 N CA 1.079 54.199 53.050 0.116 0.000 0.858 144 N CB -0.216 38.357 38.487 0.143 0.000 0.989 144 N HN 0.209 nan 8.380 nan 0.000 0.426 145 L N 1.553 122.876 121.223 0.167 0.000 1.971 145 L HA -0.259 4.081 4.340 0.000 0.000 0.215 145 L C 1.977 178.755 176.870 -0.154 0.000 1.072 145 L CA 1.809 56.596 54.840 -0.088 0.000 0.758 145 L CB -0.767 40.996 42.059 -0.494 0.000 0.889 145 L HN 0.218 nan 8.230 nan 0.000 0.433 146 Q N -0.731 118.974 119.800 -0.159 0.000 2.077 146 Q HA -0.308 4.032 4.340 0.000 0.000 0.206 146 Q C 2.340 178.274 176.000 -0.109 0.000 0.989 146 Q CA 2.163 57.865 55.803 -0.168 0.000 0.853 146 Q CB -0.541 28.105 28.738 -0.153 0.000 0.907 146 Q HN 0.524 nan 8.270 nan 0.000 0.418 147 R N 0.533 121.000 120.500 -0.056 0.000 2.112 147 R HA -0.217 4.123 4.340 0.000 0.000 0.242 147 R C 2.126 178.408 176.300 -0.030 0.000 1.137 147 R CA 2.345 58.427 56.100 -0.030 0.000 0.944 147 R CB -0.611 29.689 30.300 -0.000 0.000 0.857 147 R HN 0.387 nan 8.270 nan 0.000 0.435 148 T N 0.953 115.495 114.554 -0.020 0.000 2.652 148 T HA -0.163 4.187 4.350 0.000 0.000 0.267 148 T C 2.094 176.762 174.700 -0.053 0.000 1.039 148 T CA 1.776 63.865 62.100 -0.018 0.000 1.153 148 T CB -0.449 68.425 68.868 0.010 0.000 0.863 148 T HN 0.258 nan 8.240 nan 0.000 0.428 149 I N 1.841 122.351 120.570 -0.101 0.000 2.208 149 I HA -0.203 3.967 4.170 0.000 0.000 0.245 149 I C 3.099 179.155 176.117 -0.103 0.000 1.097 149 I CA 1.256 62.480 61.300 -0.128 0.000 1.363 149 I CB -0.599 37.279 38.000 -0.203 0.000 1.051 149 I HN 0.284 nan 8.210 nan 0.000 0.413 150 A N 0.646 123.408 122.820 -0.096 0.000 1.933 150 A HA -0.156 4.164 4.320 0.000 0.000 0.218 150 A C 2.527 180.073 177.584 -0.062 0.000 1.175 150 A CA 1.836 53.826 52.037 -0.078 0.000 0.628 150 A CB -0.723 18.235 19.000 -0.071 0.000 0.814 150 A HN 0.447 nan 8.150 nan 0.000 0.444 151 A N -0.327 122.465 122.820 -0.047 0.000 1.930 151 A HA -0.112 4.208 4.320 0.000 0.000 0.217 151 A C 2.227 179.797 177.584 -0.024 0.000 1.175 151 A CA 1.405 53.423 52.037 -0.032 0.000 0.627 151 A CB -0.420 18.574 19.000 -0.011 0.000 0.815 151 A HN 0.541 nan 8.150 nan 0.000 0.443 152 R N -1.058 119.442 120.500 0.001 0.000 2.083 152 R HA -0.114 4.226 4.340 0.000 0.000 0.237 152 R C 2.284 178.580 176.300 -0.006 0.000 1.137 152 R CA 1.740 57.885 56.100 0.075 0.000 0.951 152 R CB -0.377 29.906 30.300 -0.028 0.000 0.851 152 R HN 0.427 nan 8.270 nan 0.000 0.434 153 M N 0.374 119.930 119.600 -0.073 0.000 2.080 153 M HA -0.170 4.311 4.480 0.000 0.000 0.260 153 M C 2.104 178.301 176.300 -0.171 0.000 1.068 153 M CA 1.753 56.983 55.300 -0.116 0.000 1.109 153 M CB -0.849 31.707 32.600 -0.073 0.000 1.342 153 M HN 0.128 nan 8.290 nan 0.000 0.405 154 R N -0.018 120.402 120.500 -0.134 0.000 2.152 154 R HA -0.167 4.173 4.340 0.000 0.000 0.232 154 R C 1.712 177.884 176.300 -0.214 0.000 1.117 154 R CA 1.453 57.469 56.100 -0.140 0.000 0.981 154 R CB -0.470 29.777 30.300 -0.088 0.000 0.870 154 R HN 0.409 nan 8.270 nan 0.000 0.451 155 D N 0.101 120.326 120.400 -0.291 0.000 2.224 155 D HA -0.090 4.550 4.640 0.000 0.000 0.205 155 D C 1.550 177.217 176.300 -1.056 0.000 0.965 155 D CA 0.433 54.132 54.000 -0.502 0.000 0.852 155 D CB 0.292 40.818 40.800 -0.457 0.000 0.947 155 D HN -0.016 nan 8.370 nan 0.000 0.494 156 V N -0.290 118.979 119.914 -1.074 0.000 3.406 156 V HA 0.207 4.327 4.120 0.000 0.000 0.263 156 V C 2.043 177.710 176.094 -0.713 0.000 1.172 156 V CA 1.112 62.535 62.300 -1.463 0.000 1.140 156 V CB -0.248 30.758 31.823 -1.360 0.000 0.784 156 V HN 0.280 nan 8.190 nan 0.000 0.467 157 A N -0.007 122.578 122.820 -0.391 0.000 2.032 157 A HA -0.171 4.149 4.320 0.000 0.000 0.221 157 A C 2.054 179.647 177.584 0.014 0.000 1.165 157 A CA 2.058 54.015 52.037 -0.133 0.000 0.645 157 A CB -0.403 18.539 19.000 -0.095 0.000 0.807 157 A HN 0.579 nan 8.150 nan 0.000 0.453 158 L N -2.487 118.771 121.223 0.059 0.000 2.131 158 L HA -0.129 4.211 4.340 0.000 0.000 0.206 158 L C 2.560 179.771 176.870 0.568 0.000 1.087 158 L CA 0.619 55.648 54.840 0.316 0.000 0.767 158 L CB -0.486 41.784 42.059 0.352 0.000 0.917 158 L HN 0.558 nan 8.230 nan 0.000 0.441 159 W N 0.726 122.128 121.300 0.169 0.000 2.378 159 W HA -0.114 4.546 4.660 0.000 0.000 0.313 159 W C 2.671 179.448 176.519 0.430 0.000 1.197 159 W CA 0.269 57.782 57.345 0.280 0.000 1.304 159 W CB -1.216 28.171 29.460 -0.121 0.000 1.148 159 W HN 0.160 nan 8.180 nan 0.000 0.494 160 Q N 0.380 120.427 119.800 0.411 0.000 2.077 160 Q HA -0.226 4.114 4.340 0.000 0.000 0.206 160 Q C 2.332 178.552 176.000 0.367 0.000 0.989 160 Q CA 1.715 57.774 55.803 0.426 0.000 0.853 160 Q CB -0.477 28.421 28.738 0.266 0.000 0.907 160 Q HN 0.048 nan 8.270 nan 0.000 0.418 161 K N 0.442 121.008 120.400 0.277 0.000 2.020 161 K HA -0.221 4.099 4.320 0.000 0.000 0.212 161 K C 1.835 178.531 176.600 0.160 0.000 1.050 161 K CA 1.892 58.279 56.287 0.167 0.000 0.929 161 K CB -0.374 32.189 32.500 0.105 0.000 0.714 161 K HN 0.391 nan 8.250 nan 0.000 0.443 162 H N 0.122 119.316 119.070 0.207 0.000 2.319 162 H HA -0.158 4.398 4.556 0.000 0.000 0.299 162 H C 1.934 177.310 175.328 0.080 0.000 1.092 162 H CA 1.775 57.886 56.048 0.105 0.000 1.302 162 H CB -0.145 29.672 29.762 0.093 0.000 1.373 162 H HN 0.103 nan 8.280 nan 0.000 0.497 163 L N 0.933 122.419 121.223 0.439 0.000 2.013 163 L HA -0.240 4.100 4.340 0.000 0.000 0.212 163 L C 1.456 178.498 176.870 0.288 0.000 1.073 163 L CA 1.969 57.071 54.840 0.436 0.000 0.753 163 L CB -0.476 41.986 42.059 0.671 0.000 0.890 163 L HN 0.226 nan 8.230 nan 0.000 0.432 164 D N -0.762 119.792 120.400 0.257 0.000 2.133 164 D HA -0.227 4.413 4.640 0.000 0.000 0.195 164 D C 2.266 178.625 176.300 0.097 0.000 0.997 164 D CA 2.078 56.174 54.000 0.160 0.000 0.840 164 D CB -0.661 40.231 40.800 0.153 0.000 0.947 164 D HN 0.653 nan 8.370 nan 0.000 0.452 165 T N -0.881 113.723 114.554 0.084 0.000 2.708 165 T HA -0.101 4.249 4.350 0.000 0.000 0.266 165 T C 2.116 176.849 174.700 0.055 0.000 1.037 165 T CA 1.987 64.114 62.100 0.044 0.000 1.146 165 T CB -0.551 68.317 68.868 -0.001 0.000 0.865 165 T HN 0.110 nan 8.240 nan 0.000 0.435 166 A N 2.740 125.602 122.820 0.070 0.000 1.884 166 A HA -0.079 4.241 4.320 0.000 0.000 0.219 166 A C 2.571 180.213 177.584 0.096 0.000 1.197 166 A CA 2.406 54.494 52.037 0.085 0.000 0.637 166 A CB -0.886 18.170 19.000 0.092 0.000 0.827 166 A HN 0.522 nan 8.150 nan 0.000 0.450 167 M N 0.349 119.991 119.600 0.071 0.000 2.446 167 M HA -0.091 4.389 4.480 0.000 0.000 0.263 167 M C 2.057 178.367 176.300 0.017 0.000 1.066 167 M CA 1.964 57.264 55.300 0.002 0.000 1.087 167 M CB -1.791 30.747 32.600 -0.103 0.000 1.406 167 M HN 0.764 nan 8.290 nan 0.000 0.459 168 T N -2.770 111.811 114.554 0.045 0.000 3.021 168 T HA 0.030 4.380 4.350 0.000 0.000 0.245 168 T C 1.828 176.575 174.700 0.078 0.000 1.028 168 T CA 0.205 62.337 62.100 0.053 0.000 1.139 168 T CB -0.257 68.635 68.868 0.040 0.000 0.884 168 T HN 0.144 nan 8.240 nan 0.000 0.457 169 M N 1.705 121.349 119.600 0.075 0.000 2.103 169 M HA 0.020 4.500 4.480 0.000 0.000 0.255 169 M C 0.352 176.722 176.300 0.116 0.000 1.074 169 M CA 1.676 57.023 55.300 0.078 0.000 1.090 169 M CB -0.991 31.643 32.600 0.057 0.000 1.325 169 M HN 0.343 nan 8.290 nan 0.000 0.403 170 L N 1.084 122.392 121.223 0.141 0.000 2.556 170 L HA 0.190 4.530 4.340 0.000 0.000 0.243 170 L C 0.178 177.196 176.870 0.247 0.000 1.331 170 L CA -0.540 54.429 54.840 0.216 0.000 0.927 170 L CB 0.635 42.765 42.059 0.118 0.000 1.219 170 L HN -0.003 nan 8.230 nan 0.000 0.490 171 T N 3.900 118.588 114.554 0.223 0.000 2.576 171 T HA 0.012 4.362 4.350 0.000 0.000 0.251 171 T C -1.332 173.449 174.700 0.135 0.000 1.050 171 T CA -0.428 61.761 62.100 0.148 0.000 1.286 171 T CB 0.261 69.184 68.868 0.093 0.000 1.028 171 T HN 0.283 nan 8.240 nan 0.000 0.509 172 P HA 0.175 nan 4.420 nan 0.000 0.286 172 P C -0.764 176.396 177.300 -0.233 0.000 1.577 172 P CA -0.060 62.903 63.100 -0.230 0.000 0.805 172 P CB -0.219 31.258 31.700 -0.373 0.000 1.706 173 D N 0.681 121.031 120.400 -0.083 0.000 2.461 173 D HA 0.275 4.915 4.640 0.000 0.000 0.240 173 D C -0.218 176.066 176.300 -0.026 0.000 1.094 173 D CA -0.164 53.793 54.000 -0.071 0.000 0.868 173 D CB 0.785 41.560 40.800 -0.043 0.000 1.062 173 D HN -0.013 nan 8.370 nan 0.000 0.530 174 I N 2.730 123.265 120.570 -0.059 0.000 2.428 174 I HA 0.058 4.228 4.170 0.000 0.000 0.279 174 I C 1.447 177.546 176.117 -0.029 0.000 1.040 174 I CA -0.257 61.032 61.300 -0.020 0.000 1.171 174 I CB 1.013 39.008 38.000 -0.008 0.000 1.312 174 I HN 0.305 nan 8.210 nan 0.000 0.470 175 S N 3.935 119.628 115.700 -0.012 0.000 2.469 175 S HA 0.081 4.551 4.470 0.000 0.000 0.238 175 S C 0.891 175.488 174.600 -0.004 0.000 0.998 175 S CA 0.398 58.594 58.200 -0.007 0.000 0.957 175 S CB 0.117 63.316 63.200 -0.001 0.000 0.764 175 S HN 0.671 nan 8.310 nan 0.000 0.514 176 A N -0.084 122.734 122.820 -0.004 0.000 2.530 176 A HA 0.703 5.023 4.320 0.000 0.000 0.279 176 A C 0.717 178.301 177.584 -0.001 0.000 1.109 176 A CA -0.208 51.829 52.037 -0.001 0.000 0.763 176 A CB 0.349 19.350 19.000 0.001 0.000 1.257 176 A HN 1.367 nan 8.150 nan 0.000 0.424 177 G N 1.509 110.305 108.800 -0.006 0.000 2.650 177 G HA2 0.224 4.184 3.960 0.000 0.000 0.264 177 G HA3 0.224 4.184 3.960 0.000 0.000 0.264 177 G C 0.230 175.120 174.900 -0.016 0.000 1.263 177 G CA 0.350 45.447 45.100 -0.007 0.000 0.960 177 G HN 2.655 nan 8.290 nan 0.000 0.548 178 S N -0.879 114.817 115.700 -0.006 0.000 2.548 178 S HA 0.880 5.350 4.470 0.000 0.000 0.278 178 S C -0.568 174.044 174.600 0.020 0.000 1.150 178 S CA 0.636 58.826 58.200 -0.016 0.000 0.907 178 S CB 1.410 64.600 63.200 -0.018 0.000 1.108 178 S HN 2.475 nan 8.310 nan 0.000 0.459 179 A N 1.361 124.188 122.820 0.010 0.000 2.380 179 A HA 0.968 5.288 4.320 0.000 0.000 0.315 179 A C -0.325 177.275 177.584 0.025 0.000 1.101 179 A CA -0.862 51.236 52.037 0.103 0.000 0.771 179 A CB 2.000 21.180 19.000 0.300 0.000 1.287 179 A HN 1.202 nan 8.150 nan 0.000 0.436 180 S N -0.707 115.075 115.700 0.136 0.000 2.546 180 S HA 0.658 5.128 4.470 0.000 0.000 0.272 180 S C -1.366 173.355 174.600 0.201 0.000 1.140 180 S CA -0.285 57.995 58.200 0.133 0.000 0.920 180 S CB 1.249 64.488 63.200 0.064 0.000 1.083 180 S HN 1.785 nan 8.310 nan 0.000 0.476 181 C N 3.978 123.394 119.300 0.193 0.000 3.285 181 C HA 0.581 5.041 4.460 0.000 0.000 0.325 181 C C -0.822 174.116 174.990 -0.087 0.000 1.304 181 C CA -0.846 58.170 59.018 -0.004 0.000 1.319 181 C CB 1.235 28.839 27.740 -0.226 0.000 1.640 181 C HN 0.975 nan 8.230 nan 0.000 0.477 182 N N 2.297 120.951 118.700 -0.077 0.000 2.394 182 N HA -0.039 4.701 4.740 0.000 0.000 0.277 182 N C 0.823 176.313 175.510 -0.032 0.000 1.346 182 N CA 0.384 53.413 53.050 -0.037 0.000 0.910 182 N CB 0.110 38.567 38.487 -0.051 0.000 1.201 182 N HN 0.891 nan 8.380 nan 0.000 0.488 183 W N 3.753 124.961 121.300 -0.154 0.000 2.363 183 W HA -0.206 4.454 4.660 0.000 0.000 0.296 183 W C 1.623 178.059 176.519 -0.139 0.000 1.212 183 W CA 0.227 57.490 57.345 -0.136 0.000 1.260 183 W CB 0.257 29.752 29.460 0.058 0.000 1.131 183 W HN 0.589 nan 8.180 nan 0.000 0.530 184 K N -0.023 120.403 120.400 0.043 0.000 2.020 184 K HA -0.220 4.100 4.320 0.000 0.000 0.212 184 K C 2.000 178.460 176.600 -0.234 0.000 1.050 184 K CA 2.059 58.266 56.287 -0.134 0.000 0.929 184 K CB -0.845 31.581 32.500 -0.123 0.000 0.714 184 K HN -0.018 nan 8.250 nan 0.000 0.443 185 S N 1.616 117.179 115.700 -0.228 0.000 2.368 185 S HA -0.182 4.288 4.470 0.000 0.000 0.226 185 S C 2.062 176.529 174.600 -0.222 0.000 1.044 185 S CA 1.477 59.498 58.200 -0.298 0.000 1.062 185 S CB -0.440 62.632 63.200 -0.213 0.000 0.931 185 S HN 0.159 nan 8.310 nan 0.000 0.440 186 L N 1.091 122.227 121.223 -0.145 0.000 1.970 186 L HA -0.142 4.198 4.340 0.000 0.000 0.212 186 L C 2.362 179.224 176.870 -0.013 0.000 1.071 186 L CA 1.271 56.059 54.840 -0.086 0.000 0.751 186 L CB -0.795 41.144 42.059 -0.201 0.000 0.889 186 L HN 0.262 nan 8.230 nan 0.000 0.432 187 L N -0.380 120.805 121.223 -0.063 0.000 2.051 187 L HA -0.283 4.057 4.340 0.000 0.000 0.214 187 L C 2.789 179.598 176.870 -0.103 0.000 1.076 187 L CA 1.479 56.212 54.840 -0.179 0.000 0.758 187 L CB -0.901 40.916 42.059 -0.403 0.000 0.890 187 L HN 0.321 nan 8.230 nan 0.000 0.433 188 A N -0.955 121.772 122.820 -0.155 0.000 1.929 188 A HA -0.149 4.171 4.320 0.000 0.000 0.216 188 A C 2.235 179.932 177.584 0.189 0.000 1.176 188 A CA 0.942 52.944 52.037 -0.058 0.000 0.628 188 A CB -0.721 18.145 19.000 -0.222 0.000 0.816 188 A HN 0.369 nan 8.150 nan 0.000 0.444 189 F N 0.338 120.181 119.950 -0.179 0.000 2.186 189 F HA -0.142 4.385 4.527 0.000 0.000 0.299 189 F C 2.745 178.615 175.800 0.116 0.000 1.090 189 F CA 0.479 58.552 58.000 0.122 0.000 1.307 189 F CB 0.014 39.024 39.000 0.016 0.000 1.019 189 F HN 0.337 nan 8.300 nan 0.000 0.489 190 A N 0.485 123.421 122.820 0.194 0.000 1.884 190 A HA -0.304 4.016 4.320 0.000 0.000 0.219 190 A C 2.005 179.662 177.584 0.121 0.000 1.197 190 A CA 2.226 54.325 52.037 0.104 0.000 0.637 190 A CB -0.739 18.297 19.000 0.060 0.000 0.827 190 A HN 0.381 nan 8.150 nan 0.000 0.450 191 K N -1.160 119.316 120.400 0.126 0.000 2.432 191 K HA -0.062 4.258 4.320 0.000 0.000 0.196 191 K C 1.215 177.896 176.600 0.134 0.000 1.038 191 K CA 1.000 57.347 56.287 0.101 0.000 0.986 191 K CB -0.040 32.499 32.500 0.066 0.000 0.782 191 K HN 0.559 nan 8.250 nan 0.000 0.485 192 D N 0.247 120.787 120.400 0.233 0.000 2.305 192 D HA -0.030 4.610 4.640 0.000 0.000 0.206 192 D C 1.297 177.713 176.300 0.193 0.000 0.974 192 D CA 0.652 54.779 54.000 0.211 0.000 0.871 192 D CB 0.417 41.386 40.800 0.282 0.000 0.947 192 D HN -0.033 nan 8.370 nan 0.000 0.516 193 I N 0.258 120.957 120.570 0.216 0.000 3.939 193 I HA 0.151 4.321 4.170 0.000 0.000 0.313 193 I C 0.692 176.858 176.117 0.081 0.000 1.274 193 I CA 0.061 61.449 61.300 0.147 0.000 1.301 193 I CB -0.785 37.297 38.000 0.136 0.000 1.105 193 I HN -0.005 nan 8.210 nan 0.000 0.427 194 L N 3.475 124.741 121.223 0.071 0.000 2.453 194 L HA 0.117 4.457 4.340 0.000 0.000 0.272 194 L C -1.909 174.979 176.870 0.030 0.000 1.182 194 L CA -1.279 53.586 54.840 0.043 0.000 0.858 194 L CB -0.164 41.914 42.059 0.031 0.000 1.120 194 L HN -0.119 nan 8.230 nan 0.000 0.474 195 P HA 0.054 nan 4.420 nan 0.000 0.267 195 P C 0.717 178.025 177.300 0.013 0.000 1.209 195 P CA -0.129 62.983 63.100 0.021 0.000 0.763 195 P CB 0.687 32.401 31.700 0.024 0.000 0.816 196 L N 2.318 123.545 121.223 0.005 0.000 2.051 196 L HA -0.250 4.090 4.340 0.000 0.000 0.214 196 L C 1.641 178.504 176.870 -0.012 0.000 1.076 196 L CA 1.735 56.569 54.840 -0.009 0.000 0.758 196 L CB -0.599 41.454 42.059 -0.010 0.000 0.890 196 L HN 0.462 nan 8.230 nan 0.000 0.433 197 D N -0.413 119.994 120.400 0.012 0.000 2.351 197 D HA -0.090 4.550 4.640 0.000 0.000 0.216 197 D C 0.447 176.789 176.300 0.071 0.000 0.968 197 D CA 0.459 54.477 54.000 0.031 0.000 0.899 197 D CB -0.526 40.300 40.800 0.043 0.000 0.907 197 D HN 0.424 nan 8.370 nan 0.000 0.514 198 N N 0.688 119.434 118.700 0.077 0.000 2.454 198 N HA 0.002 4.742 4.740 0.000 0.000 0.254 198 N C 1.381 176.821 175.510 -0.117 0.000 1.228 198 N CA -0.046 53.080 53.050 0.127 0.000 0.900 198 N CB 0.814 39.360 38.487 0.099 0.000 1.089 198 N HN 0.009 nan 8.380 nan 0.000 0.449 199 L N 0.481 121.443 121.223 -0.435 0.000 2.191 199 L HA -0.218 4.122 4.340 0.000 0.000 0.212 199 L C 1.746 178.417 176.870 -0.332 0.000 1.103 199 L CA 0.740 55.307 54.840 -0.455 0.000 0.769 199 L CB -0.348 41.399 42.059 -0.520 0.000 0.908 199 L HN 0.711 nan 8.230 nan 0.000 0.438 200 C N -0.267 118.710 119.300 -0.538 0.000 2.413 200 C HA -0.150 4.310 4.460 0.000 0.000 0.277 200 C C 2.562 177.419 174.990 -0.221 0.000 1.265 200 C CA 0.351 59.050 59.018 -0.532 0.000 1.752 200 C CB -0.786 26.668 27.740 -0.477 0.000 1.998 200 C HN 0.414 nan 8.230 nan 0.000 0.489 201 L N 1.261 122.365 121.223 -0.198 0.000 2.313 201 L HA -0.040 4.300 4.340 0.000 0.000 0.214 201 L C 2.708 179.439 176.870 -0.233 0.000 1.119 201 L CA 1.948 56.691 54.840 -0.162 0.000 0.809 201 L CB -1.054 40.938 42.059 -0.112 0.000 0.933 201 L HN 0.499 nan 8.230 nan 0.000 0.449 202 T N -3.845 110.454 114.554 -0.426 0.000 2.851 202 T HA -0.149 4.201 4.350 0.000 0.000 0.262 202 T C 1.096 175.343 174.700 -0.756 0.000 1.043 202 T CA 0.946 62.606 62.100 -0.733 0.000 1.140 202 T CB -0.501 67.613 68.868 -1.257 0.000 0.872 202 T HN 0.276 nan 8.240 nan 0.000 0.446 203 Y N 1.798 122.155 120.300 0.095 0.000 2.781 203 Y HA 0.347 4.897 4.550 0.000 0.000 0.326 203 Y C -1.713 174.344 175.900 0.261 0.000 1.019 203 Y CA -2.740 55.456 58.100 0.160 0.000 1.372 203 Y CB 0.383 38.913 38.460 0.118 0.000 1.260 203 Y HN 0.232 nan 8.280 nan 0.000 0.546 204 P HA -0.225 nan 4.420 nan 0.000 0.214 204 P C 1.042 178.447 177.300 0.176 0.000 1.163 204 P CA 1.707 64.883 63.100 0.127 0.000 0.889 204 P CB 0.356 32.053 31.700 -0.006 0.000 0.790 205 N N -1.101 117.650 118.700 0.085 0.000 2.036 205 N HA -0.192 4.548 4.740 0.000 0.000 0.195 205 N C 1.752 177.300 175.510 0.063 0.000 1.037 205 N CA 1.384 54.444 53.050 0.017 0.000 0.855 205 N CB -0.330 38.125 38.487 -0.054 0.000 1.033 205 N HN 0.073 nan 8.380 nan 0.000 0.423 206 E N -0.024 120.228 120.200 0.087 0.000 2.038 206 E HA -0.174 4.176 4.350 0.000 0.000 0.195 206 E C 2.015 178.713 176.600 0.164 0.000 1.000 206 E CA 1.017 57.446 56.400 0.048 0.000 0.803 206 E CB -0.541 29.096 29.700 -0.104 0.000 0.750 206 E HN 0.458 nan 8.360 nan 0.000 0.448 207 F N -0.033 120.038 119.950 0.202 0.000 2.126 207 F HA -0.260 4.267 4.527 0.000 0.000 0.299 207 F C 2.505 178.479 175.800 0.290 0.000 1.096 207 F CA 1.333 59.492 58.000 0.266 0.000 1.255 207 F CB -0.437 38.707 39.000 0.240 0.000 0.997 207 F HN 0.080 nan 8.300 nan 0.000 0.479 208 Y N 0.871 121.368 120.300 0.329 0.000 2.145 208 Y HA -0.329 4.221 4.550 0.000 0.000 0.286 208 Y C 2.374 178.405 175.900 0.217 0.000 1.145 208 Y CA 2.039 60.288 58.100 0.249 0.000 1.148 208 Y CB -0.697 37.863 38.460 0.166 0.000 0.981 208 Y HN 0.031 nan 8.280 nan 0.000 0.507 209 N N -0.331 118.547 118.700 0.296 0.000 2.036 209 N HA -0.228 4.512 4.740 0.000 0.000 0.195 209 N C 1.683 177.069 175.510 -0.207 0.000 1.037 209 N CA 2.336 55.401 53.050 0.025 0.000 0.855 209 N CB -0.510 37.934 38.487 -0.071 0.000 1.033 209 N HN 0.234 nan 8.380 nan 0.000 0.423 210 V N 0.772 120.697 119.914 0.017 0.000 2.233 210 V HA -0.259 3.861 4.120 0.000 0.000 0.247 210 V C 2.425 178.513 176.094 -0.009 0.000 1.050 210 V CA 2.019 64.335 62.300 0.028 0.000 1.010 210 V CB -1.448 30.392 31.823 0.027 0.000 0.637 210 V HN 0.498 nan 8.190 nan 0.000 0.444 211 A N 0.177 123.085 122.820 0.148 0.000 1.896 211 A HA -0.303 4.017 4.320 0.000 0.000 0.220 211 A C 2.126 179.750 177.584 0.068 0.000 1.206 211 A CA 2.687 54.871 52.037 0.246 0.000 0.647 211 A CB -0.806 18.445 19.000 0.420 0.000 0.828 211 A HN 0.478 nan 8.150 nan 0.000 0.455 212 I N -0.776 119.759 120.570 -0.060 0.000 2.264 212 I HA -0.233 3.937 4.170 0.000 0.000 0.248 212 I C 2.211 178.303 176.117 -0.041 0.000 1.111 212 I CA 1.478 62.721 61.300 -0.095 0.000 1.382 212 I CB -0.470 37.439 38.000 -0.152 0.000 1.060 212 I HN 0.396 nan 8.210 nan 0.000 0.418 213 H N -0.682 118.339 119.070 -0.082 0.000 2.495 213 H HA 0.039 4.595 4.556 0.000 0.000 0.287 213 H C 2.290 177.477 175.328 -0.236 0.000 1.033 213 H CA 0.934 56.910 56.048 -0.119 0.000 1.307 213 H CB -0.043 29.651 29.762 -0.114 0.000 1.401 213 H HN 0.315 nan 8.280 nan 0.000 0.555 214 R N -0.321 119.990 120.500 -0.315 0.000 2.146 214 R HA 0.027 4.367 4.340 0.000 0.000 0.206 214 R C -0.141 175.766 176.300 -0.654 0.000 1.049 214 R CA 0.232 55.961 56.100 -0.619 0.000 1.029 214 R CB 0.493 30.244 30.300 -0.915 0.000 0.949 214 R HN 0.126 nan 8.270 nan 0.000 0.471 215 Y N 0.388 120.655 120.300 -0.054 0.000 2.700 215 Y HA 0.324 4.874 4.550 0.000 0.000 0.333 215 Y C -1.908 173.873 175.900 -0.199 0.000 1.036 215 Y CA -2.739 55.291 58.100 -0.116 0.000 1.287 215 Y CB 1.367 39.764 38.460 -0.106 0.000 1.132 215 Y HN 0.077 nan 8.280 nan 0.000 0.510 216 P HA -0.243 nan 4.420 nan 0.000 0.219 216 P C 1.469 178.407 177.300 -0.604 0.000 1.146 216 P CA 1.671 64.375 63.100 -0.661 0.000 0.808 216 P CB 0.313 31.617 31.700 -0.659 0.000 0.779 217 A N -1.369 121.264 122.820 -0.311 0.000 2.194 217 A HA -0.093 4.227 4.320 0.000 0.000 0.220 217 A C 0.882 178.282 177.584 -0.308 0.000 1.162 217 A CA 1.144 53.013 52.037 -0.280 0.000 0.674 217 A CB -1.015 17.833 19.000 -0.253 0.000 0.789 217 A HN 0.186 nan 8.150 nan 0.000 0.470 218 L N -1.163 119.930 121.223 -0.218 0.000 2.381 218 L HA 0.569 4.909 4.340 0.000 0.000 0.268 218 L C -0.625 176.239 176.870 -0.010 0.000 0.997 218 L CA -0.959 53.793 54.840 -0.146 0.000 0.818 218 L CB 2.132 44.166 42.059 -0.042 0.000 1.310 218 L HN -0.115 nan 8.230 nan 0.000 0.416 219 K N 2.961 123.432 120.400 0.117 0.000 2.259 219 K HA 0.532 4.852 4.320 0.000 0.000 0.249 219 K C -2.533 174.151 176.600 0.140 0.000 0.942 219 K CA -1.901 54.457 56.287 0.119 0.000 0.816 219 K CB 1.746 34.313 32.500 0.112 0.000 1.155 219 K HN 0.181 nan 8.250 nan 0.000 0.428 220 P HA -0.036 nan 4.420 nan 0.000 0.265 220 P C 0.555 177.820 177.300 -0.058 0.000 1.193 220 P CA 0.214 63.162 63.100 -0.253 0.000 0.765 220 P CB 0.779 31.808 31.700 -1.118 0.000 0.823 221 G N 4.227 113.074 108.800 0.078 0.000 4.033 221 G HA2 -0.333 3.627 3.960 0.000 0.000 0.243 221 G HA3 -0.333 3.627 3.960 0.000 0.000 0.243 221 G C 0.802 175.700 174.900 -0.003 0.000 0.867 221 G CA 1.544 46.648 45.100 0.008 0.000 0.718 221 G HN 0.780 nan 8.290 nan 0.000 1.461 222 N N 1.224 119.929 118.700 0.007 0.000 2.291 222 N HA 0.157 4.897 4.740 0.000 0.000 0.244 222 N C -1.104 174.421 175.510 0.026 0.000 1.216 222 N CA -0.004 53.054 53.050 0.013 0.000 0.879 222 N CB 0.645 39.141 38.487 0.015 0.000 1.167 222 N HN 0.318 nan 8.380 nan 0.000 0.515 223 P HA -0.097 nan 4.420 nan 0.000 0.216 223 P C -0.543 176.789 177.300 0.053 0.000 1.157 223 P CA 1.480 64.625 63.100 0.074 0.000 0.880 223 P CB 0.169 31.907 31.700 0.064 0.000 0.791 224 D N -1.056 119.359 120.400 0.024 0.000 2.420 224 D HA 0.126 4.766 4.640 0.000 0.000 0.255 224 D C 0.631 176.937 176.300 0.011 0.000 1.185 224 D CA -0.203 53.808 54.000 0.019 0.000 0.904 224 D CB 1.158 41.967 40.800 0.016 0.000 1.102 224 D HN -0.106 nan 8.370 nan 0.000 0.534 225 T N 1.243 115.804 114.554 0.012 0.000 2.848 225 T HA -0.208 4.142 4.350 0.000 0.000 0.269 225 T C 1.814 176.519 174.700 0.010 0.000 1.081 225 T CA 1.265 63.371 62.100 0.010 0.000 1.125 225 T CB 0.212 69.086 68.868 0.010 0.000 0.848 225 T HN 0.371 nan 8.240 nan 0.000 0.503 226 K N 0.475 120.881 120.400 0.009 0.000 2.032 226 K HA -0.096 4.224 4.320 0.000 0.000 0.218 226 K C 0.538 177.141 176.600 0.006 0.000 1.054 226 K CA 1.110 57.401 56.287 0.007 0.000 0.941 226 K CB -0.167 32.337 32.500 0.007 0.000 0.720 226 K HN 0.309 nan 8.250 nan 0.000 0.449 227 L N 0.477 121.702 121.223 0.004 0.000 2.490 227 L HA 0.224 4.564 4.340 0.000 0.000 0.256 227 L C -2.112 174.755 176.870 -0.005 0.000 1.089 227 L CA -1.187 53.653 54.840 0.000 0.000 0.916 227 L CB 1.984 44.041 42.059 -0.003 0.000 1.188 227 L HN 0.043 nan 8.230 nan 0.000 0.476 228 P HA 0.067 nan 4.420 nan 0.000 0.234 228 P C -0.222 177.075 177.300 -0.005 0.000 1.175 228 P CA 0.484 63.576 63.100 -0.014 0.000 0.801 228 P CB 0.775 32.478 31.700 0.005 0.000 0.891 229 D N 0.330 120.737 120.400 0.012 0.000 2.181 229 D HA 0.528 5.168 4.640 0.000 0.000 0.248 229 D C -0.269 176.034 176.300 0.005 0.000 1.020 229 D CA -0.170 53.848 54.000 0.029 0.000 0.891 229 D CB 2.512 43.333 40.800 0.035 0.000 1.187 229 D HN 0.025 nan 8.370 nan 0.000 0.443 230 A N 1.006 123.830 122.820 0.008 0.000 2.594 230 A HA 0.328 4.648 4.320 0.000 0.000 0.291 230 A C 0.074 177.575 177.584 -0.138 0.000 1.105 230 A CA -0.462 51.519 52.037 -0.093 0.000 0.694 230 A CB 2.182 21.064 19.000 -0.197 0.000 1.291 230 A HN 0.350 nan 8.150 nan 0.000 0.410 231 Q N -0.389 119.291 119.800 -0.200 0.000 2.392 231 Q HA 0.262 4.602 4.340 0.000 0.000 0.219 231 Q C 0.651 176.467 176.000 -0.307 0.000 0.895 231 Q CA 0.979 56.691 55.803 -0.152 0.000 0.929 231 Q CB 0.733 29.445 28.738 -0.043 0.000 1.077 231 Q HN 0.858 nan 8.270 nan 0.000 0.532 232 A N 1.637 124.210 122.820 -0.412 0.000 2.276 232 A HA 0.467 4.787 4.320 0.000 0.000 0.300 232 A C -0.352 176.872 177.584 -0.599 0.000 1.235 232 A CA -0.326 51.494 52.037 -0.361 0.000 0.867 232 A CB 0.214 19.104 19.000 -0.182 0.000 1.137 232 A HN 0.156 nan 8.150 nan 0.000 0.527 233 H N 1.782 120.840 119.070 -0.021 0.000 3.779 233 H HA 0.477 5.033 4.556 0.000 0.000 0.320 233 H C -1.954 173.356 175.328 -0.029 0.000 1.666 233 H CA -1.325 54.714 56.048 -0.015 0.000 1.439 233 H CB -0.428 29.322 29.762 -0.020 0.000 1.281 233 H HN 0.422 nan 8.280 nan 0.000 0.809 234 P HA 0.048 nan 4.420 nan 0.000 0.342 234 P C 1.120 178.423 177.300 0.005 0.000 1.384 234 P CA -0.427 62.671 63.100 -0.002 0.000 0.837 234 P CB 0.629 32.299 31.700 -0.050 0.000 2.025 235 L N -0.269 120.947 121.223 -0.013 0.000 2.044 235 L HA 0.025 4.365 4.340 0.000 0.000 0.205 235 L C 2.154 179.035 176.870 0.017 0.000 1.075 235 L CA 2.423 57.268 54.840 0.008 0.000 0.747 235 L CB -1.765 40.308 42.059 0.024 0.000 0.903 235 L HN 0.471 nan 8.230 nan 0.000 0.435 236 G N -0.561 108.243 108.800 0.007 0.000 3.376 236 G HA2 -0.534 3.426 3.960 0.000 0.000 0.310 236 G HA3 -0.534 3.426 3.960 0.000 0.000 0.310 236 G C 1.223 176.132 174.900 0.016 0.000 1.137 236 G CA 1.567 46.669 45.100 0.004 0.000 1.061 236 G HN 0.480 nan 8.290 nan 0.000 1.152 237 E N -0.701 119.505 120.200 0.011 0.000 2.689 237 E HA -0.345 4.005 4.350 0.000 0.000 0.247 237 E C 2.302 178.889 176.600 -0.023 0.000 1.031 237 E CA 2.343 58.744 56.400 0.002 0.000 1.400 237 E CB -1.252 28.459 29.700 0.018 0.000 1.296 237 E HN 0.508 nan 8.360 nan 0.000 0.475 238 V N 0.416 120.321 119.914 -0.016 0.000 2.215 238 V HA -0.359 3.761 4.120 0.000 0.000 0.249 238 V C 2.095 178.211 176.094 0.037 0.000 1.054 238 V CA 3.012 65.293 62.300 -0.032 0.000 1.012 238 V CB -0.852 30.990 31.823 0.032 0.000 0.639 238 V HN 0.500 nan 8.190 nan 0.000 0.448 239 A N -0.483 122.422 122.820 0.142 0.000 2.024 239 A HA -0.057 4.263 4.320 0.000 0.000 0.220 239 A C 2.274 179.969 177.584 0.185 0.000 1.164 239 A CA 1.967 54.144 52.037 0.233 0.000 0.643 239 A CB -1.297 17.790 19.000 0.144 0.000 0.806 239 A HN 0.798 nan 8.150 nan 0.000 0.451 240 G N -0.567 108.281 108.800 0.080 0.000 2.402 240 G HA2 0.053 4.013 3.960 0.000 0.000 0.216 240 G HA3 0.053 4.013 3.960 0.000 0.000 0.216 240 G C 1.731 176.648 174.900 0.029 0.000 1.162 240 G CA 1.157 46.286 45.100 0.047 0.000 0.777 240 G HN 0.777 nan 8.290 nan 0.000 0.539 241 A N 0.687 123.476 122.820 -0.052 0.000 1.948 241 A HA 0.017 4.337 4.320 0.000 0.000 0.220 241 A C 2.110 179.667 177.584 -0.045 0.000 1.177 241 A CA 1.565 53.523 52.037 -0.131 0.000 0.636 241 A CB -0.596 18.221 19.000 -0.304 0.000 0.815 241 A HN 0.332 nan 8.150 nan 0.000 0.449 242 F N 0.584 120.535 119.950 0.002 0.000 2.234 242 F HA -0.100 4.427 4.527 0.000 0.000 0.299 242 F C 2.139 177.941 175.800 0.003 0.000 1.087 242 F CA 1.191 59.193 58.000 0.003 0.000 1.340 242 F CB -0.449 38.553 39.000 0.004 0.000 1.031 242 F HN 0.268 nan 8.300 nan 0.000 0.500 243 N N 0.312 119.127 118.700 0.191 0.000 2.463 243 N HA 0.114 4.854 4.740 0.000 0.000 0.181 243 N C 0.569 176.118 175.510 0.065 0.000 1.078 243 N CA 0.456 53.566 53.050 0.101 0.000 0.902 243 N CB 0.079 38.612 38.487 0.077 0.000 0.970 243 N HN 0.117 nan 8.380 nan 0.000 0.451 244 A N 1.160 124.015 122.820 0.057 0.000 2.320 244 A HA 0.576 4.896 4.320 0.000 0.000 0.287 244 A C 0.366 177.967 177.584 0.028 0.000 1.181 244 A CA -0.545 51.509 52.037 0.028 0.000 0.831 244 A CB 0.349 19.352 19.000 0.005 0.000 1.102 244 A HN 0.213 nan 8.150 nan 0.000 0.513 245 A N 3.220 126.052 122.820 0.020 0.000 2.567 245 A HA 0.470 4.790 4.320 0.000 0.000 0.240 245 A C 1.039 178.631 177.584 0.014 0.000 1.053 245 A CA 0.817 52.865 52.037 0.018 0.000 0.755 245 A CB -0.526 18.481 19.000 0.012 0.000 0.978 245 A HN 1.531 nan 8.150 nan 0.000 0.507 246 T N -0.655 113.910 114.554 0.018 0.000 2.922 246 T HA 0.479 4.829 4.350 0.000 0.000 0.281 246 T C 1.368 176.074 174.700 0.011 0.000 1.005 246 T CA 0.049 62.158 62.100 0.014 0.000 0.982 246 T CB 0.896 69.776 68.868 0.021 0.000 1.158 246 T HN 1.068 nan 8.240 nan 0.000 0.566 247 S N -0.133 115.572 115.700 0.009 0.000 2.419 247 S HA -0.099 4.371 4.470 0.000 0.000 0.233 247 S C 1.304 175.908 174.600 0.007 0.000 1.016 247 S CA 1.172 59.376 58.200 0.006 0.000 0.974 247 S CB -0.570 62.633 63.200 0.005 0.000 0.786 247 S HN 0.829 nan 8.310 nan 0.000 0.492 248 E N -0.481 119.726 120.200 0.011 0.000 2.421 248 E HA 0.409 4.759 4.350 0.000 0.000 0.209 248 E C -0.332 176.276 176.600 0.013 0.000 0.871 248 E CA -0.048 56.358 56.400 0.011 0.000 1.064 248 E CB 1.061 30.768 29.700 0.011 0.000 1.075 248 E HN 0.236 nan 8.360 nan 0.000 0.513 249 V N 0.474 120.399 119.914 0.017 0.000 2.628 249 V HA 0.492 4.612 4.120 0.000 0.000 0.306 249 V C 1.038 177.144 176.094 0.020 0.000 1.045 249 V CA -0.227 62.084 62.300 0.020 0.000 0.905 249 V CB 1.586 33.423 31.823 0.024 0.000 0.997 249 V HN 0.304 nan 8.190 nan 0.000 0.436 250 G N 3.503 112.314 108.800 0.018 0.000 2.942 250 G HA2 -0.126 3.834 3.960 0.000 0.000 0.199 250 G HA3 -0.126 3.834 3.960 0.000 0.000 0.199 250 G C 0.612 175.528 174.900 0.027 0.000 1.440 250 G CA 1.025 46.136 45.100 0.019 0.000 0.815 250 G HN 0.926 nan 8.290 nan 0.000 0.675 251 S N -0.821 114.895 115.700 0.027 0.000 2.456 251 S HA 0.439 4.909 4.470 0.000 0.000 0.316 251 S C 1.242 175.862 174.600 0.033 0.000 1.089 251 S CA -0.777 57.444 58.200 0.036 0.000 1.101 251 S CB 1.345 64.563 63.200 0.030 0.000 0.995 251 S HN 0.226 nan 8.310 nan 0.000 0.468 252 L N 5.787 127.041 121.223 0.051 0.000 2.012 252 L HA -0.118 4.222 4.340 0.000 0.000 0.210 252 L C 2.863 179.729 176.870 -0.006 0.000 1.073 252 L CA 2.260 57.123 54.840 0.039 0.000 0.748 252 L CB -1.145 40.970 42.059 0.093 0.000 0.891 252 L HN 0.810 nan 8.230 nan 0.000 0.431 253 V N -2.039 117.865 119.914 -0.017 0.000 2.324 253 V HA -0.197 3.923 4.120 0.000 0.000 0.250 253 V C 2.344 178.424 176.094 -0.023 0.000 1.060 253 V CA 1.940 64.213 62.300 -0.045 0.000 1.042 253 V CB -1.919 29.874 31.823 -0.050 0.000 0.650 253 V HN 0.398 nan 8.190 nan 0.000 0.450 254 G N 1.237 110.035 108.800 -0.003 0.000 2.679 254 G HA2 -0.376 3.584 3.960 0.000 0.000 0.217 254 G HA3 -0.376 3.584 3.960 0.000 0.000 0.217 254 G C 1.890 176.790 174.900 -0.001 0.000 1.267 254 G CA 2.667 47.767 45.100 0.001 0.000 0.799 254 G HN 0.969 nan 8.290 nan 0.000 0.606 255 S N 0.058 115.760 115.700 0.003 0.000 2.387 255 S HA -0.188 4.282 4.470 0.000 0.000 0.230 255 S C 2.416 177.015 174.600 -0.002 0.000 1.035 255 S CA 2.058 60.260 58.200 0.004 0.000 1.014 255 S CB -0.677 62.528 63.200 0.009 0.000 0.836 255 S HN 0.422 nan 8.310 nan 0.000 0.466 256 S N 1.474 117.167 115.700 -0.011 0.000 2.348 256 S HA -0.108 4.362 4.470 0.000 0.000 0.221 256 S C 2.128 176.717 174.600 -0.019 0.000 1.033 256 S CA 1.598 59.786 58.200 -0.020 0.000 1.010 256 S CB -0.978 62.199 63.200 -0.039 0.000 0.891 256 S HN 0.636 nan 8.310 nan 0.000 0.442 257 S N 0.926 116.614 115.700 -0.020 0.000 2.359 257 S HA -0.129 4.341 4.470 0.000 0.000 0.223 257 S C 2.036 176.632 174.600 -0.007 0.000 1.039 257 S CA 1.959 60.149 58.200 -0.015 0.000 1.042 257 S CB -1.180 62.011 63.200 -0.016 0.000 0.915 257 S HN 0.744 nan 8.310 nan 0.000 0.439 258 T N 3.267 117.819 114.554 -0.002 0.000 2.580 258 T HA -0.124 4.226 4.350 0.000 0.000 0.265 258 T C 1.837 176.540 174.700 0.005 0.000 1.063 258 T CA 1.621 63.722 62.100 0.003 0.000 1.170 258 T CB -0.813 68.058 68.868 0.006 0.000 0.863 258 T HN 0.237 nan 8.240 nan 0.000 0.418 259 L N 0.858 122.084 121.223 0.004 0.000 2.043 259 L HA -0.149 4.191 4.340 0.000 0.000 0.212 259 L C 2.937 179.810 176.870 0.004 0.000 1.075 259 L CA 1.225 56.069 54.840 0.007 0.000 0.752 259 L CB -0.729 41.333 42.059 0.006 0.000 0.891 259 L HN 0.222 nan 8.230 nan 0.000 0.432 260 S N -0.814 114.885 115.700 -0.001 0.000 2.368 260 S HA -0.223 4.247 4.470 0.000 0.000 0.225 260 S C 1.958 176.557 174.600 -0.001 0.000 1.030 260 S CA 1.198 59.396 58.200 -0.004 0.000 0.999 260 S CB -0.234 62.960 63.200 -0.010 0.000 0.844 260 S HN 0.461 nan 8.310 nan 0.000 0.459 261 Q N 0.796 120.596 119.800 0.000 0.000 2.112 261 Q HA -0.147 4.193 4.340 0.000 0.000 0.206 261 Q C 2.506 178.510 176.000 0.008 0.000 0.987 261 Q CA 1.481 57.286 55.803 0.003 0.000 0.858 261 Q CB -0.415 28.326 28.738 0.005 0.000 0.905 261 Q HN 0.609 nan 8.270 nan 0.000 0.420 262 A N 1.190 124.017 122.820 0.011 0.000 1.858 262 A HA -0.202 4.118 4.320 0.000 0.000 0.216 262 A C 2.079 179.672 177.584 0.015 0.000 1.190 262 A CA 1.333 53.380 52.037 0.016 0.000 0.617 262 A CB -0.782 18.230 19.000 0.020 0.000 0.827 262 A HN 0.297 nan 8.150 nan 0.000 0.443 263 I N 0.787 121.363 120.570 0.010 0.000 2.074 263 I HA -0.372 3.798 4.170 0.000 0.000 0.238 263 I C 2.952 179.071 176.117 0.003 0.000 1.037 263 I CA 2.189 63.493 61.300 0.007 0.000 1.301 263 I CB -0.472 37.530 38.000 0.003 0.000 1.016 263 I HN 0.535 nan 8.210 nan 0.000 0.400 264 S N 0.065 115.766 115.700 0.001 0.000 2.419 264 S HA -0.194 4.276 4.470 0.000 0.000 0.233 264 S C 2.042 176.640 174.600 -0.003 0.000 1.016 264 S CA 1.550 59.749 58.200 -0.003 0.000 0.974 264 S CB -1.257 61.941 63.200 -0.004 0.000 0.786 264 S HN 0.639 nan 8.310 nan 0.000 0.492 265 T N -0.358 114.198 114.554 0.003 0.000 2.746 265 T HA -0.024 4.326 4.350 0.000 0.000 0.267 265 T C 1.727 176.429 174.700 0.004 0.000 1.039 265 T CA 1.352 63.456 62.100 0.006 0.000 1.142 265 T CB -0.577 68.301 68.868 0.017 0.000 0.866 265 T HN 0.242 nan 8.240 nan 0.000 0.444 266 M N 2.167 121.771 119.600 0.007 0.000 2.108 266 M HA 0.169 4.649 4.480 0.000 0.000 0.261 266 M C 2.671 178.964 176.300 -0.011 0.000 1.066 266 M CA 1.328 56.630 55.300 0.004 0.000 1.107 266 M CB -1.185 31.421 32.600 0.009 0.000 1.356 266 M HN 0.449 nan 8.290 nan 0.000 0.406 267 A N -0.673 122.140 122.820 -0.012 0.000 1.892 267 A HA -0.108 4.212 4.320 0.000 0.000 0.218 267 A C 2.355 179.920 177.584 -0.032 0.000 1.188 267 A CA 2.062 54.087 52.037 -0.019 0.000 0.631 267 A CB -1.672 17.320 19.000 -0.014 0.000 0.822 267 A HN 0.561 nan 8.150 nan 0.000 0.447 268 G N -1.069 107.711 108.800 -0.033 0.000 2.421 268 G HA2 -0.170 3.790 3.960 0.000 0.000 0.217 268 G HA3 -0.170 3.790 3.960 0.000 0.000 0.217 268 G C 1.579 176.429 174.900 -0.083 0.000 1.143 268 G CA 0.990 46.061 45.100 -0.048 0.000 0.784 268 G HN 0.558 nan 8.290 nan 0.000 0.541 269 K N 0.152 120.506 120.400 -0.078 0.000 2.288 269 K HA -0.087 4.233 4.320 0.000 0.000 0.201 269 K C 0.787 177.299 176.600 -0.147 0.000 1.048 269 K CA 0.707 56.915 56.287 -0.131 0.000 0.956 269 K CB -0.071 32.389 32.500 -0.067 0.000 0.746 269 K HN 0.166 nan 8.250 nan 0.000 0.461 270 D N -0.048 120.299 120.400 -0.089 0.000 2.911 270 D HA -0.221 4.419 4.640 0.000 0.000 0.227 270 D C 0.345 176.617 176.300 -0.046 0.000 1.164 270 D CA 0.774 54.735 54.000 -0.065 0.000 0.782 270 D CB -0.557 40.199 40.800 -0.074 0.000 1.094 270 D HN 0.236 nan 8.370 nan 0.000 0.425 271 L N -0.345 120.856 121.223 -0.036 0.000 3.400 271 L HA -0.439 3.901 4.340 0.000 0.000 0.158 271 L C 1.972 178.844 176.870 0.003 0.000 4.462 271 L CA 2.963 57.795 54.840 -0.012 0.000 0.423 271 L CB -1.656 40.401 42.059 -0.004 0.000 3.561 271 L HN 0.212 nan 8.230 nan 0.000 0.641 272 D N -0.731 119.670 120.400 0.001 0.000 2.200 272 D HA -0.251 4.389 4.640 0.000 0.000 0.192 272 D C 2.067 178.397 176.300 0.049 0.000 1.008 272 D CA 2.075 56.085 54.000 0.016 0.000 0.872 272 D CB -0.157 40.647 40.800 0.006 0.000 0.923 272 D HN 0.305 nan 8.370 nan 0.000 0.447 273 L N 1.039 122.289 121.223 0.046 0.000 2.223 273 L HA -0.293 4.047 4.340 0.000 0.000 0.230 273 L C 2.341 179.382 176.870 0.284 0.000 1.110 273 L CA 1.619 56.548 54.840 0.149 0.000 0.834 273 L CB -0.642 41.412 42.059 -0.007 0.000 0.915 273 L HN 0.223 nan 8.230 nan 0.000 0.450 274 I N -1.268 119.409 120.570 0.179 0.000 2.493 274 I HA -0.153 4.017 4.170 0.000 0.000 0.254 274 I C 0.910 177.075 176.117 0.081 0.000 1.160 274 I CA 0.749 62.130 61.300 0.136 0.000 1.445 274 I CB -0.942 37.108 38.000 0.084 0.000 1.086 274 I HN 0.276 nan 8.210 nan 0.000 0.433 275 E N 1.615 121.854 120.200 0.065 0.000 2.341 275 E HA 0.426 4.776 4.350 0.000 0.000 0.279 275 E C -0.160 176.462 176.600 0.036 0.000 1.395 275 E CA -0.074 56.348 56.400 0.037 0.000 1.648 275 E CB 0.210 29.924 29.700 0.024 0.000 1.524 275 E HN 0.258 nan 8.360 nan 0.000 0.462 276 A N 1.239 124.084 122.820 0.040 0.000 2.466 276 A HA 0.377 4.697 4.320 0.000 0.000 0.291 276 A C -0.237 177.348 177.584 0.002 0.000 1.234 276 A CA -0.725 51.329 52.037 0.028 0.000 0.752 276 A CB 0.607 19.644 19.000 0.061 0.000 1.153 276 A HN 0.176 nan 8.150 nan 0.000 0.458 277 D N 0.743 121.139 120.400 -0.008 0.000 2.197 277 D HA 0.061 4.701 4.640 0.000 0.000 0.212 277 D C 1.015 177.280 176.300 -0.058 0.000 0.963 277 D CA 1.858 55.845 54.000 -0.022 0.000 0.864 277 D CB 0.207 41.000 40.800 -0.012 0.000 1.009 277 D HN 0.593 nan 8.370 nan 0.000 0.479 278 T N -0.883 113.642 114.554 -0.049 0.000 2.859 278 T HA 0.510 4.860 4.350 0.000 0.000 0.281 278 T C -2.691 171.976 174.700 -0.056 0.000 1.005 278 T CA -2.259 59.805 62.100 -0.060 0.000 1.025 278 T CB 1.453 70.299 68.868 -0.038 0.000 0.977 278 T HN -0.285 nan 8.240 nan 0.000 0.458 279 P HA 0.014 nan 4.420 nan 0.000 0.241 279 P C -0.993 176.295 177.300 -0.020 0.000 1.093 279 P CA 0.118 63.181 63.100 -0.061 0.000 0.843 279 P CB -0.177 31.489 31.700 -0.057 0.000 0.760 280 L N 7.445 128.667 121.223 -0.002 0.000 2.287 280 L HA 0.509 4.849 4.340 0.000 0.000 0.287 280 L C -2.247 174.671 176.870 0.079 0.000 1.022 280 L CA -2.552 52.320 54.840 0.053 0.000 0.814 280 L CB 1.197 43.320 42.059 0.106 0.000 1.217 280 L HN 0.159 nan 8.230 nan 0.000 0.420 281 P HA -0.020 nan 4.420 nan 0.000 0.266 281 P C 1.299 178.665 177.300 0.109 0.000 1.215 281 P CA -0.009 63.132 63.100 0.069 0.000 0.763 281 P CB 0.821 32.546 31.700 0.041 0.000 0.806 282 V N 2.885 122.863 119.914 0.107 0.000 2.251 282 V HA -0.400 3.720 4.120 0.000 0.000 0.259 282 V C 2.159 178.333 176.094 0.134 0.000 1.078 282 V CA 3.050 65.430 62.300 0.134 0.000 1.072 282 V CB -2.603 29.276 31.823 0.094 0.000 0.681 282 V HN 0.614 nan 8.190 nan 0.000 0.454 283 S N 0.212 115.959 115.700 0.079 0.000 2.400 283 S HA -0.143 4.327 4.470 0.000 0.000 0.232 283 S C 1.849 176.466 174.600 0.028 0.000 1.025 283 S CA 1.703 59.933 58.200 0.049 0.000 0.993 283 S CB -0.817 62.401 63.200 0.029 0.000 0.808 283 S HN 0.599 nan 8.310 nan 0.000 0.478 284 V N 0.689 120.621 119.914 0.030 0.000 2.270 284 V HA -0.054 4.066 4.120 0.000 0.000 0.245 284 V C 2.129 178.169 176.094 -0.091 0.000 1.043 284 V CA 2.064 64.356 62.300 -0.014 0.000 1.014 284 V CB -0.868 30.959 31.823 0.007 0.000 0.645 284 V HN 0.532 nan 8.190 nan 0.000 0.447 285 F N 0.884 120.834 119.950 0.000 0.000 2.187 285 F HA -0.006 4.521 4.527 0.000 0.000 0.295 285 F C 1.375 177.220 175.800 0.075 0.000 1.091 285 F CA 0.958 58.965 58.000 0.012 0.000 1.308 285 F CB -0.139 38.897 39.000 0.060 0.000 1.030 285 F HN 0.049 nan 8.300 nan 0.000 0.487 286 T N 3.611 118.266 114.554 0.167 0.000 2.761 286 T HA 0.220 4.570 4.350 0.000 0.000 0.296 286 T C -1.894 172.862 174.700 0.093 0.000 0.934 286 T CA -1.113 61.112 62.100 0.207 0.000 1.091 286 T CB 1.328 70.315 68.868 0.199 0.000 0.896 286 T HN 0.045 nan 8.240 nan 0.000 0.515 287 P HA 0.256 nan 4.420 nan 0.000 0.320 287 P C -0.053 177.285 177.300 0.063 0.000 1.402 287 P CA -0.524 62.618 63.100 0.071 0.000 0.873 287 P CB 0.284 32.041 31.700 0.096 0.000 2.179 288 S N -0.719 115.012 115.700 0.051 0.000 2.499 288 S HA 0.460 4.930 4.470 0.000 0.000 0.279 288 S C -0.422 174.200 174.600 0.036 0.000 1.219 288 S CA -0.513 57.709 58.200 0.037 0.000 1.062 288 S CB -1.011 62.205 63.200 0.025 0.000 0.978 288 S HN 0.110 nan 8.310 nan 0.000 0.489 289 L N 3.598 124.839 121.223 0.031 0.000 2.331 289 L HA 0.780 5.120 4.340 0.000 0.000 0.275 289 L C 0.134 177.014 176.870 0.016 0.000 1.022 289 L CA -0.603 54.253 54.840 0.027 0.000 0.812 289 L CB 1.724 43.802 42.059 0.033 0.000 1.257 289 L HN 0.747 nan 8.230 nan 0.000 0.435 290 A N 3.748 126.575 122.820 0.013 0.000 2.337 290 A HA 0.842 5.162 4.320 0.000 0.000 0.331 290 A C -2.556 175.031 177.584 0.005 0.000 1.137 290 A CA -1.673 50.368 52.037 0.006 0.000 0.807 290 A CB 0.786 19.787 19.000 0.001 0.000 1.250 290 A HN 0.426 nan 8.150 nan 0.000 0.468 291 P HA 0.205 nan 4.420 nan 0.000 0.267 291 P C -0.407 176.886 177.300 -0.011 0.000 1.201 291 P CA 0.159 63.262 63.100 0.005 0.000 0.775 291 P CB 0.370 32.074 31.700 0.006 0.000 0.854 292 R N 0.477 120.972 120.500 -0.009 0.000 2.867 292 R HA 0.607 4.947 4.340 0.000 0.000 0.268 292 R C -0.786 175.378 176.300 -0.227 0.000 1.014 292 R CA -0.736 55.272 56.100 -0.154 0.000 0.946 292 R CB 1.777 31.933 30.300 -0.240 0.000 1.208 292 R HN 0.315 nan 8.270 nan 0.000 0.477 293 S N 1.306 116.748 115.700 -0.430 0.000 2.498 293 S HA 0.615 5.085 4.470 0.000 0.000 0.317 293 S C -1.260 173.095 174.600 -0.409 0.000 1.090 293 S CA -0.514 57.532 58.200 -0.257 0.000 1.089 293 S CB 0.640 63.775 63.200 -0.109 0.000 0.997 293 S HN 0.330 nan 8.310 nan 0.000 0.470 294 Y N 1.463 121.846 120.300 0.138 0.000 2.602 294 Y HA 0.610 5.160 4.550 0.000 0.000 0.342 294 Y C 0.444 176.414 175.900 0.117 0.000 1.029 294 Y CA -1.396 56.805 58.100 0.168 0.000 1.080 294 Y CB 1.392 40.061 38.460 0.348 0.000 1.284 294 Y HN 0.540 nan 8.280 nan 0.000 0.485 295 R N 0.799 121.444 120.500 0.243 0.000 2.589 295 R HA 0.597 4.937 4.340 0.000 0.000 0.293 295 R C -2.807 173.536 176.300 0.072 0.000 0.963 295 R CA -1.732 54.450 56.100 0.136 0.000 0.905 295 R CB 1.687 32.046 30.300 0.099 0.000 1.144 295 R HN 0.269 nan 8.270 nan 0.000 0.459 296 P HA -0.196 nan 4.420 nan 0.000 0.198 296 P C 0.831 178.083 177.300 -0.079 0.000 1.043 296 P CA 2.315 65.395 63.100 -0.034 0.000 0.892 296 P CB -0.068 31.612 31.700 -0.033 0.000 0.701 297 A N -1.485 121.250 122.820 -0.143 0.000 4.989 297 A HA -0.299 4.021 4.320 0.000 0.000 0.363 297 A C 1.142 178.413 177.584 -0.522 0.000 1.592 297 A CA 2.825 54.684 52.037 -0.298 0.000 0.704 297 A CB -2.351 16.582 19.000 -0.111 0.000 1.532 297 A HN 0.311 nan 8.150 nan 0.000 0.440 298 F N -1.530 118.417 119.950 -0.005 0.000 2.835 298 F HA 0.497 5.024 4.527 0.000 0.000 0.342 298 F C 0.425 176.213 175.800 -0.020 0.000 1.202 298 F CA -0.435 57.558 58.000 -0.013 0.000 1.240 298 F CB 0.520 39.517 39.000 -0.006 0.000 1.005 298 F HN 0.381 nan 8.300 nan 0.000 0.507 299 I N 1.318 121.936 120.570 0.079 0.000 3.194 299 I HA 0.126 4.296 4.170 0.000 0.000 0.283 299 I C 0.138 176.252 176.117 -0.005 0.000 1.199 299 I CA -0.098 61.216 61.300 0.024 0.000 1.328 299 I CB 0.449 38.432 38.000 -0.029 0.000 1.404 299 I HN -0.111 nan 8.210 nan 0.000 0.618 300 K N 6.674 127.053 120.400 -0.034 0.000 2.449 300 K HA 0.325 4.645 4.320 0.000 0.000 0.257 300 K C -2.016 174.537 176.600 -0.079 0.000 0.989 300 K CA -1.792 54.472 56.287 -0.038 0.000 0.916 300 K CB 1.117 33.606 32.500 -0.019 0.000 1.136 300 K HN 0.257 nan 8.250 nan 0.000 0.439 301 P HA -0.239 nan 4.420 nan 0.000 0.219 301 P C 0.564 177.809 177.300 -0.091 0.000 1.153 301 P CA 1.497 64.535 63.100 -0.104 0.000 0.865 301 P CB 0.470 32.114 31.700 -0.094 0.000 0.788 302 E N -0.765 119.394 120.200 -0.069 0.000 2.118 302 E HA -0.169 4.181 4.350 0.000 0.000 0.195 302 E C 1.749 178.316 176.600 -0.055 0.000 0.992 302 E CA 1.309 57.676 56.400 -0.056 0.000 0.804 302 E CB -0.568 29.107 29.700 -0.042 0.000 0.741 302 E HN 0.399 nan 8.360 nan 0.000 0.458 303 D N -0.390 119.974 120.400 -0.060 0.000 2.301 303 D HA 0.076 4.716 4.640 0.000 0.000 0.206 303 D C 0.172 176.429 176.300 -0.073 0.000 0.979 303 D CA 0.432 54.401 54.000 -0.052 0.000 0.874 303 D CB 0.330 41.110 40.800 -0.033 0.000 0.968 303 D HN 0.070 nan 8.370 nan 0.000 0.510 304 A N 1.856 124.597 122.820 -0.132 0.000 2.798 304 A HA 0.130 4.450 4.320 0.000 0.000 0.316 304 A C 1.264 178.685 177.584 -0.271 0.000 1.506 304 A CA -0.421 51.469 52.037 -0.246 0.000 1.162 304 A CB 0.179 18.964 19.000 -0.359 0.000 1.138 304 A HN -0.055 nan 8.150 nan 0.000 0.532 305 K N 1.777 122.098 120.400 -0.132 0.000 2.044 305 K HA -0.224 4.096 4.320 0.000 0.000 0.224 305 K C 1.578 178.160 176.600 -0.030 0.000 1.056 305 K CA 2.457 58.722 56.287 -0.037 0.000 0.962 305 K CB -0.283 32.264 32.500 0.078 0.000 0.730 305 K HN 1.040 nan 8.250 nan 0.000 0.453 306 W N 0.745 122.001 121.300 -0.073 0.000 3.077 306 W HA 0.264 4.924 4.660 0.000 0.000 0.245 306 W C 0.300 176.768 176.519 -0.086 0.000 1.316 306 W CA -0.061 57.228 57.345 -0.094 0.000 1.537 306 W CB -0.443 28.934 29.460 -0.138 0.000 1.131 306 W HN -0.013 nan 8.180 nan 0.000 0.695 307 I N 1.081 121.249 120.570 -0.671 0.000 2.586 307 I HA 0.531 4.701 4.170 0.000 0.000 0.281 307 I C -0.465 175.427 176.117 -0.376 0.000 1.145 307 I CA -0.215 60.729 61.300 -0.593 0.000 1.073 307 I CB 0.899 38.261 38.000 -1.063 0.000 1.238 307 I HN -0.097 nan 8.210 nan 0.000 0.461 308 A N 5.816 128.517 122.820 -0.197 0.000 2.468 308 A HA 0.911 5.231 4.320 0.000 0.000 0.270 308 A C -0.993 176.534 177.584 -0.096 0.000 1.217 308 A CA -0.420 51.538 52.037 -0.132 0.000 0.908 308 A CB 1.534 20.481 19.000 -0.089 0.000 1.423 308 A HN 0.546 nan 8.150 nan 0.000 0.459 309 E N -0.681 119.467 120.200 -0.085 0.000 2.317 309 E HA 0.454 4.804 4.350 0.000 0.000 0.270 309 E C -1.676 174.871 176.600 -0.088 0.000 0.885 309 E CA -0.596 55.764 56.400 -0.068 0.000 0.760 309 E CB 1.779 31.428 29.700 -0.084 0.000 1.227 309 E HN 0.430 nan 8.360 nan 0.000 0.434 310 F N 3.596 123.490 119.950 -0.094 0.000 2.553 310 F HA 0.052 4.579 4.527 0.000 0.000 0.356 310 F C 0.815 176.571 175.800 -0.074 0.000 1.142 310 F CA -0.089 57.855 58.000 -0.092 0.000 1.322 310 F CB 0.482 39.423 39.000 -0.099 0.000 1.126 310 F HN 0.300 nan 8.300 nan 0.000 0.599 311 N N 3.816 121.603 118.700 -1.522 0.000 2.443 311 N HA 0.148 4.888 4.740 0.000 0.000 0.295 311 N C -0.971 174.146 175.510 -0.655 0.000 1.076 311 N CA -0.868 51.678 53.050 -0.840 0.000 0.919 311 N CB 0.950 39.069 38.487 -0.614 0.000 1.176 311 N HN 0.600 nan 8.380 nan 0.000 0.487 312 N N 0.810 119.356 118.700 -0.256 0.000 2.395 312 N HA -0.050 4.690 4.740 0.000 0.000 0.246 312 N C -1.012 174.466 175.510 -0.053 0.000 1.246 312 N CA 0.698 53.700 53.050 -0.081 0.000 0.879 312 N CB 0.095 38.553 38.487 -0.047 0.000 1.098 312 N HN 0.695 nan 8.380 nan 0.000 0.444 313 S N 0.119 115.846 115.700 0.044 0.000 3.027 313 S HA -0.024 4.446 4.470 0.000 0.000 0.809 313 S C 0.167 174.869 174.600 0.169 0.000 0.729 313 S CA 0.134 58.375 58.200 0.069 0.000 1.515 313 S CB -2.026 61.183 63.200 0.016 0.000 1.062 313 S HN 1.090 nan 8.310 nan 0.000 0.682 314 S N 1.455 117.246 115.700 0.152 0.000 6.372 314 S HA 0.499 4.969 4.470 0.000 0.000 0.097 314 S C -0.301 174.307 174.600 0.013 0.000 1.206 314 S CA -0.084 58.180 58.200 0.107 0.000 1.380 314 S CB -0.133 63.174 63.200 0.180 0.000 1.932 314 S HN 1.762 nan 8.310 nan 0.000 0.560 315 L N 2.122 123.332 121.223 -0.021 0.000 2.108 315 L HA -0.009 4.331 4.340 0.000 0.000 0.685 315 L C -1.544 175.265 176.870 -0.101 0.000 1.058 315 L CA -0.055 54.749 54.840 -0.060 0.000 1.399 315 L CB -1.110 40.924 42.059 -0.042 0.000 2.171 315 L HN 0.590 nan 8.230 nan 0.000 0.994 316 I N 2.398 122.875 120.570 -0.154 0.000 2.347 316 I HA 0.263 4.433 4.170 0.000 0.000 0.283 316 I C 1.176 177.203 176.117 -0.151 0.000 1.058 316 I CA -0.519 60.689 61.300 -0.154 0.000 1.202 316 I CB 1.017 38.902 38.000 -0.191 0.000 1.386 316 I HN 0.485 nan 8.210 nan 0.000 0.475 317 R N 3.106 123.529 120.500 -0.129 0.000 2.009 317 R HA 0.149 4.489 4.340 0.000 0.000 0.213 317 R C 0.526 176.728 176.300 -0.163 0.000 1.297 317 R CA 0.136 56.152 56.100 -0.140 0.000 1.008 317 R CB -0.290 29.946 30.300 -0.107 0.000 0.852 317 R HN 0.131 nan 8.270 nan 0.000 0.475 318 K N 2.409 122.734 120.400 -0.125 0.000 2.310 318 K HA 0.124 4.444 4.320 0.000 0.000 0.290 318 K C -1.197 175.345 176.600 -0.097 0.000 1.077 318 K CA 0.010 56.225 56.287 -0.120 0.000 0.922 318 K CB 0.645 33.091 32.500 -0.091 0.000 1.057 318 K HN 0.462 nan 8.250 nan 0.000 0.479 319 T N 2.441 116.934 114.554 -0.102 0.000 2.812 319 T HA 0.358 4.708 4.350 0.000 0.000 0.282 319 T C -0.384 174.306 174.700 -0.016 0.000 0.990 319 T CA -1.051 61.016 62.100 -0.056 0.000 0.960 319 T CB 0.835 69.676 68.868 -0.046 0.000 0.948 319 T HN 0.409 nan 8.240 nan 0.000 0.438 320 L N 4.631 125.846 121.223 -0.013 0.000 2.559 320 L HA 0.248 4.588 4.340 0.000 0.000 0.274 320 L C 1.567 178.455 176.870 0.031 0.000 1.205 320 L CA 1.207 56.046 54.840 -0.001 0.000 0.907 320 L CB 0.598 42.641 42.059 -0.028 0.000 1.153 320 L HN 1.071 nan 8.230 nan 0.000 0.490 321 T N 1.947 116.545 114.554 0.072 0.000 3.000 321 T HA 0.173 4.523 4.350 0.000 0.000 0.248 321 T C 0.108 174.904 174.700 0.160 0.000 1.034 321 T CA 0.065 62.242 62.100 0.128 0.000 1.060 321 T CB -0.017 68.972 68.868 0.200 0.000 0.983 321 T HN 0.445 nan 8.240 nan 0.000 0.482 322 Y N 1.000 121.321 120.300 0.036 0.000 2.829 322 Y HA 0.575 5.125 4.550 0.000 0.000 0.322 322 Y C -1.136 174.777 175.900 0.020 0.000 1.357 322 Y CA -2.101 56.015 58.100 0.026 0.000 1.081 322 Y CB 1.456 39.933 38.460 0.028 0.000 1.339 322 Y HN -0.015 nan 8.280 nan 0.000 0.469 323 S N 1.840 116.459 115.700 -1.802 0.000 2.507 323 S HA 0.343 4.813 4.470 0.000 0.000 0.299 323 S C 0.739 175.063 174.600 -0.460 0.000 1.214 323 S CA 0.736 58.394 58.200 -0.903 0.000 1.137 323 S CB -0.648 62.131 63.200 -0.701 0.000 1.009 323 S HN 1.383 nan 8.310 nan 0.000 0.512 324 G N 2.451 111.097 108.800 -0.256 0.000 2.341 324 G HA2 -0.073 3.887 3.960 0.000 0.000 0.292 324 G HA3 -0.073 3.887 3.960 0.000 0.000 0.292 324 G C 0.061 174.924 174.900 -0.061 0.000 1.021 324 G CA 0.187 45.215 45.100 -0.120 0.000 0.905 324 G HN 1.189 nan 8.290 nan 0.000 0.508 325 A N -0.654 122.131 122.820 -0.058 0.000 2.414 325 A HA 1.006 5.326 4.320 0.000 0.000 0.306 325 A C 0.028 177.642 177.584 0.050 0.000 1.054 325 A CA 0.349 52.408 52.037 0.036 0.000 0.724 325 A CB 1.781 20.869 19.000 0.147 0.000 1.267 325 A HN 1.636 nan 8.150 nan 0.000 0.418 326 T N -0.907 113.687 114.554 0.067 0.000 2.912 326 T HA 0.642 4.992 4.350 0.000 0.000 0.299 326 T C -1.159 173.604 174.700 0.105 0.000 1.052 326 T CA -0.491 61.645 62.100 0.059 0.000 0.996 326 T CB 1.345 70.216 68.868 0.005 0.000 1.070 326 T HN 1.132 nan 8.240 nan 0.000 0.465 327 Y N 1.820 122.116 120.300 -0.007 0.000 2.442 327 Y HA 0.555 5.105 4.550 0.000 0.000 0.344 327 Y C -0.191 175.701 175.900 -0.014 0.000 0.976 327 Y CA -0.984 57.104 58.100 -0.020 0.000 1.040 327 Y CB 2.011 40.487 38.460 0.027 0.000 1.228 327 Y HN 0.952 nan 8.280 nan 0.000 0.451 328 T N 3.186 117.262 114.554 -0.798 0.000 2.782 328 T HA 0.163 4.513 4.350 0.000 0.000 0.298 328 T C 0.876 174.928 174.700 -1.079 0.000 0.944 328 T CA -0.332 61.348 62.100 -0.699 0.000 1.001 328 T CB 0.657 69.355 68.868 -0.282 0.000 0.932 328 T HN 0.668 nan 8.240 nan 0.000 0.524 329 V N 2.774 122.204 119.914 -0.807 0.000 2.759 329 V HA -0.074 4.046 4.120 0.000 0.000 0.256 329 V C 1.650 177.668 176.094 -0.126 0.000 1.080 329 V CA 1.756 63.833 62.300 -0.371 0.000 1.101 329 V CB -1.086 30.675 31.823 -0.103 0.000 0.698 329 V HN 1.145 nan 8.190 nan 0.000 0.477 330 Q N -1.063 118.630 119.800 -0.178 0.000 2.480 330 Q HA -0.240 4.100 4.340 0.000 0.000 0.265 330 Q C -0.133 175.800 176.000 -0.112 0.000 1.072 330 Q CA 0.885 56.606 55.803 -0.136 0.000 1.018 330 Q CB -2.348 26.312 28.738 -0.129 0.000 1.433 330 Q HN 0.587 nan 8.270 nan 0.000 0.513 331 L N -0.328 120.816 121.223 -0.131 0.000 2.825 331 L HA 0.291 4.631 4.340 0.000 0.000 0.278 331 L C 1.076 177.915 176.870 -0.052 0.000 1.125 331 L CA 2.125 56.871 54.840 -0.156 0.000 1.023 331 L CB -0.279 41.555 42.059 -0.375 0.000 1.377 331 L HN 0.410 nan 8.230 nan 0.000 0.471 332 G N 4.222 113.072 108.800 0.084 0.000 3.454 332 G HA2 0.235 4.195 3.960 0.000 0.000 0.162 332 G HA3 0.235 4.195 3.960 0.000 0.000 0.162 332 G C -2.832 172.152 174.900 0.140 0.000 1.223 332 G CA -0.128 45.073 45.100 0.169 0.000 1.394 332 G HN 0.379 nan 8.290 nan 0.000 0.709 333 P HA 0.241 nan 4.420 nan 0.000 0.263 333 P C 0.692 177.992 177.300 0.000 0.000 1.276 333 P CA 1.440 64.543 63.100 0.006 0.000 0.986 333 P CB 0.052 31.743 31.700 -0.015 0.000 1.105 334 G N 4.640 113.439 108.800 -0.002 0.000 2.338 334 G HA2 -0.199 3.761 3.960 0.000 0.000 0.296 334 G HA3 -0.199 3.761 3.960 0.000 0.000 0.296 334 G C -2.177 172.716 174.900 -0.012 0.000 1.040 334 G CA -0.774 44.313 45.100 -0.022 0.000 1.004 334 G HN 0.357 nan 8.290 nan 0.000 0.509 335 P HA 0.278 nan 4.420 nan 0.000 0.263 335 P C 1.360 178.664 177.300 0.007 0.000 1.345 335 P CA 0.881 64.001 63.100 0.035 0.000 1.119 335 P CB -0.066 31.679 31.700 0.074 0.000 1.363 336 T N 1.423 115.951 114.554 -0.042 0.000 13.732 336 T HA -0.270 4.080 4.350 0.000 0.000 0.419 336 T C 0.593 175.261 174.700 -0.054 0.000 1.441 336 T CA 0.840 62.900 62.100 -0.067 0.000 2.344 336 T CB -0.871 67.957 68.868 -0.066 0.000 2.781 336 T HN 0.437 nan 8.240 nan 0.000 0.464 337 R N 0.416 120.901 120.500 -0.024 0.000 2.663 337 R HA 0.566 4.906 4.340 0.000 0.000 0.267 337 R C -1.226 175.082 176.300 0.013 0.000 1.038 337 R CA -0.452 55.632 56.100 -0.025 0.000 0.886 337 R CB 1.700 31.965 30.300 -0.057 0.000 1.249 337 R HN 0.737 nan 8.270 nan 0.000 0.463 338 V N 0.228 120.146 119.914 0.006 0.000 2.311 338 V HA 0.536 4.656 4.120 0.000 0.000 0.275 338 V C 0.044 176.175 176.094 0.061 0.000 1.022 338 V CA -0.819 61.509 62.300 0.046 0.000 0.830 338 V CB 0.748 32.586 31.823 0.024 0.000 1.012 338 V HN 0.502 nan 8.190 nan 0.000 0.452 339 I N 5.374 126.024 120.570 0.133 0.000 2.363 339 I HA 0.269 4.439 4.170 0.000 0.000 0.292 339 I C 0.489 176.707 176.117 0.167 0.000 1.075 339 I CA 0.393 61.782 61.300 0.149 0.000 1.333 339 I CB 0.376 38.529 38.000 0.255 0.000 1.415 339 I HN 0.585 nan 8.210 nan 0.000 0.502 340 D N 8.361 128.838 120.400 0.129 0.000 2.558 340 D HA 0.106 4.746 4.640 0.000 0.000 0.221 340 D C 0.495 176.804 176.300 0.015 0.000 1.143 340 D CA 0.005 54.075 54.000 0.116 0.000 1.010 340 D CB 0.732 41.596 40.800 0.107 0.000 1.068 340 D HN 0.405 nan 8.370 nan 0.000 0.511 341 M N 0.965 120.466 119.600 -0.164 0.000 2.723 341 M HA 0.031 4.511 4.480 0.000 0.000 0.270 341 M C 0.340 176.414 176.300 -0.377 0.000 1.282 341 M CA -0.324 54.622 55.300 -0.590 0.000 0.995 341 M CB -1.329 30.445 32.600 -1.377 0.000 1.430 341 M HN -0.017 nan 8.290 nan 0.000 0.477 342 N N 1.601 120.221 118.700 -0.134 0.000 2.508 342 N HA 0.345 5.085 4.740 0.000 0.000 0.253 342 N C 0.223 175.769 175.510 0.060 0.000 1.145 342 N CA 0.329 53.366 53.050 -0.023 0.000 0.973 342 N CB 0.206 38.675 38.487 -0.031 0.000 1.305 342 N HN 0.412 nan 8.380 nan 0.000 0.506 343 A N 3.637 126.544 122.820 0.145 0.000 2.578 343 A HA -0.172 4.148 4.320 0.000 0.000 0.298 343 A C 0.064 177.756 177.584 0.180 0.000 1.472 343 A CA 0.571 52.720 52.037 0.186 0.000 0.734 343 A CB -1.477 17.595 19.000 0.120 0.000 1.091 343 A HN 0.589 nan 8.150 nan 0.000 0.426 344 M N 0.885 120.654 119.600 0.283 0.000 3.307 344 M HA 0.392 4.872 4.480 0.000 0.000 0.222 344 M C 0.743 177.225 176.300 0.304 0.000 1.243 344 M CA -0.128 55.303 55.300 0.219 0.000 1.270 344 M CB -1.600 31.054 32.600 0.091 0.000 1.187 344 M HN 1.356 nan 8.290 nan 0.000 0.598 345 I N -1.306 119.367 120.570 0.170 0.000 5.504 345 I HA -0.337 3.833 4.170 0.000 0.000 0.128 345 I C -0.672 175.396 176.117 -0.082 0.000 1.242 345 I CA 0.746 62.081 61.300 0.057 0.000 2.596 345 I CB -0.541 37.472 38.000 0.021 0.000 2.176 345 I HN 0.472 nan 8.210 nan 0.000 0.313 346 D N 1.629 121.921 120.400 -0.181 0.000 2.349 346 D HA 0.615 5.255 4.640 0.000 0.000 0.232 346 D C -0.715 175.419 176.300 -0.276 0.000 1.071 346 D CA -0.287 53.488 54.000 -0.376 0.000 0.832 346 D CB 1.557 42.176 40.800 -0.301 0.000 1.086 346 D HN 0.609 nan 8.370 nan 0.000 0.504 347 S N 0.546 116.036 115.700 -0.350 0.000 2.667 347 S HA 0.573 5.043 4.470 0.000 0.000 0.292 347 S C -0.505 174.032 174.600 -0.106 0.000 1.126 347 S CA -0.706 57.413 58.200 -0.135 0.000 0.881 347 S CB 2.323 65.559 63.200 0.060 0.000 1.132 347 S HN 0.173 nan 8.310 nan 0.000 0.492 348 V N 2.455 122.341 119.914 -0.047 0.000 2.376 348 V HA 0.346 4.466 4.120 0.000 0.000 0.287 348 V C -0.584 175.483 176.094 -0.044 0.000 1.015 348 V CA -0.495 61.784 62.300 -0.035 0.000 0.834 348 V CB 1.096 32.899 31.823 -0.033 0.000 1.001 348 V HN 0.710 nan 8.190 nan 0.000 0.428 349 L N 4.677 125.861 121.223 -0.066 0.000 2.451 349 L HA 0.149 4.489 4.340 0.000 0.000 0.272 349 L C 0.701 177.455 176.870 -0.192 0.000 1.258 349 L CA 0.183 54.929 54.840 -0.157 0.000 1.132 349 L CB -0.341 41.526 42.059 -0.320 0.000 1.361 349 L HN 0.635 nan 8.230 nan 0.000 0.438 350 T N 3.363 117.835 114.554 -0.138 0.000 3.182 350 T HA 0.170 4.520 4.350 0.000 0.000 0.274 350 T C 0.030 174.629 174.700 -0.167 0.000 0.997 350 T CA -0.261 61.725 62.100 -0.190 0.000 1.082 350 T CB -0.010 68.760 68.868 -0.162 0.000 1.005 350 T HN 0.139 nan 8.240 nan 0.000 0.688 351 L N 4.366 125.484 121.223 -0.176 0.000 2.278 351 L HA 0.319 4.659 4.340 0.000 0.000 0.287 351 L C -0.441 176.385 176.870 -0.074 0.000 1.072 351 L CA -0.051 54.735 54.840 -0.090 0.000 0.819 351 L CB 0.486 42.504 42.059 -0.067 0.000 1.176 351 L HN 0.410 nan 8.230 nan 0.000 0.435 352 D N 5.890 126.278 120.400 -0.021 0.000 2.438 352 D HA 0.248 4.888 4.640 0.000 0.000 0.257 352 D C -0.786 175.550 176.300 0.060 0.000 1.148 352 D CA -0.175 53.835 54.000 0.016 0.000 0.902 352 D CB 1.592 42.400 40.800 0.013 0.000 1.062 352 D HN 0.214 nan 8.370 nan 0.000 0.518 353 V N 0.744 120.717 119.914 0.097 0.000 2.394 353 V HA 0.640 4.760 4.120 0.000 0.000 0.282 353 V C 0.408 176.620 176.094 0.196 0.000 1.031 353 V CA -0.392 61.994 62.300 0.144 0.000 0.881 353 V CB 1.424 33.351 31.823 0.173 0.000 0.982 353 V HN 0.433 nan 8.190 nan 0.000 0.451 354 S N 2.542 118.341 115.700 0.166 0.000 2.547 354 S HA 0.745 5.215 4.470 0.000 0.000 0.270 354 S C 0.511 175.198 174.600 0.145 0.000 1.150 354 S CA 0.801 59.094 58.200 0.156 0.000 0.850 354 S CB 1.659 64.901 63.200 0.071 0.000 1.118 354 S HN 2.003 nan 8.310 nan 0.000 0.461 355 G N 2.032 110.919 108.800 0.144 0.000 5.045 355 G HA2 -0.255 3.705 3.960 0.000 0.000 0.229 355 G HA3 -0.255 3.705 3.960 0.000 0.000 0.229 355 G C 0.242 175.237 174.900 0.158 0.000 1.440 355 G CA 0.299 45.474 45.100 0.125 0.000 0.936 355 G HN 1.397 nan 8.290 nan 0.000 0.690 356 T N 1.704 116.340 114.554 0.138 0.000 2.751 356 T HA 0.398 4.748 4.350 0.000 0.000 0.279 356 T C 1.117 175.879 174.700 0.104 0.000 0.941 356 T CA 1.180 63.345 62.100 0.108 0.000 1.192 356 T CB 1.225 70.126 68.868 0.054 0.000 0.883 356 T HN 0.724 nan 8.240 nan 0.000 0.534 357 I N 3.603 124.244 120.570 0.117 0.000 4.228 357 I HA 0.319 4.489 4.170 0.000 0.000 0.298 357 I C -0.073 176.143 176.117 0.165 0.000 1.206 357 I CA -0.013 61.328 61.300 0.068 0.000 1.322 357 I CB 0.285 38.306 38.000 0.034 0.000 1.411 357 I HN 0.624 nan 8.210 nan 0.000 0.454 358 L N 2.898 124.204 121.223 0.138 0.000 3.509 358 L HA -0.173 4.167 4.340 0.000 0.000 0.608 358 L C -2.081 174.818 176.870 0.048 0.000 1.032 358 L CA -0.598 54.330 54.840 0.148 0.000 1.125 358 L CB -1.722 40.485 42.059 0.247 0.000 1.218 358 L HN 0.202 nan 8.230 nan 0.000 0.727 359 P HA -0.042 nan 4.420 nan 0.000 0.265 359 P C -0.098 177.100 177.300 -0.170 0.000 1.187 359 P CA 0.017 62.984 63.100 -0.222 0.000 0.766 359 P CB 0.351 31.976 31.700 -0.125 0.000 0.820 360 Y N 2.315 122.430 120.300 -0.309 0.000 2.846 360 Y HA -0.243 4.307 4.550 0.000 0.000 0.352 360 Y C 1.807 177.652 175.900 -0.092 0.000 1.298 360 Y CA -0.257 57.630 58.100 -0.356 0.000 1.634 360 Y CB -0.324 37.825 38.460 -0.519 0.000 1.214 360 Y HN 0.566 nan 8.280 nan 0.000 0.529 361 D N 1.250 121.791 120.400 0.234 0.000 2.632 361 D HA -0.366 4.274 4.640 0.000 0.000 0.588 361 D C 0.950 177.314 176.300 0.108 0.000 0.941 361 D CA 2.377 56.492 54.000 0.191 0.000 1.653 361 D CB -0.521 40.425 40.800 0.243 0.000 0.356 361 D HN 0.536 nan 8.370 nan 0.000 0.482 362 T N 0.338 114.946 114.554 0.090 0.000 3.751 362 T HA 0.211 4.561 4.350 0.000 0.000 0.240 362 T C -1.523 173.202 174.700 0.041 0.000 1.004 362 T CA -0.646 61.487 62.100 0.056 0.000 1.645 362 T CB -0.615 68.278 68.868 0.042 0.000 0.763 362 T HN 0.022 nan 8.240 nan 0.000 0.625 363 N N 3.813 122.540 118.700 0.046 0.000 2.372 363 N HA 0.416 5.156 4.740 0.000 0.000 0.291 363 N C -2.269 173.262 175.510 0.036 0.000 1.024 363 N CA -1.923 51.146 53.050 0.033 0.000 0.873 363 N CB 2.141 40.637 38.487 0.014 0.000 1.206 363 N HN 0.249 nan 8.380 nan 0.000 0.486 364 P HA 0.053 nan 4.420 nan 0.000 0.285 364 P C -0.668 176.647 177.300 0.026 0.000 1.521 364 P CA 0.489 63.599 63.100 0.017 0.000 0.792 364 P CB 0.052 31.758 31.700 0.011 0.000 1.613 365 D N -0.097 120.338 120.400 0.058 0.000 2.892 365 D HA 0.178 4.818 4.640 0.000 0.000 0.291 365 D C 1.465 177.802 176.300 0.062 0.000 1.341 365 D CA -0.185 53.877 54.000 0.104 0.000 0.844 365 D CB 0.549 41.430 40.800 0.135 0.000 1.093 365 D HN 0.211 nan 8.370 nan 0.000 0.480 366 L N 0.066 121.268 121.223 -0.035 0.000 2.084 366 L HA -0.014 4.326 4.340 0.000 0.000 0.202 366 L C 1.348 178.141 176.870 -0.128 0.000 1.074 366 L CA 0.515 55.275 54.840 -0.133 0.000 0.757 366 L CB -0.405 41.604 42.059 -0.082 0.000 0.918 366 L HN -0.028 nan 8.230 nan 0.000 0.444 367 S N -0.109 115.557 115.700 -0.058 0.000 2.562 367 S HA 0.192 4.662 4.470 0.000 0.000 0.281 367 S C 0.839 175.422 174.600 -0.028 0.000 1.333 367 S CA 0.179 58.358 58.200 -0.035 0.000 1.052 367 S CB 0.811 64.004 63.200 -0.012 0.000 0.884 367 S HN 0.531 nan 8.310 nan 0.000 0.506 368 T N -1.724 112.814 114.554 -0.026 0.000 5.686 368 T HA -0.196 4.154 4.350 0.000 0.000 0.270 368 T C 0.054 174.738 174.700 -0.026 0.000 2.203 368 T CA 0.493 62.586 62.100 -0.013 0.000 3.730 368 T CB -3.069 65.808 68.868 0.016 0.000 0.770 368 T HN 1.500 nan 8.240 nan 0.000 1.144 369 S N 1.148 116.790 115.700 -0.097 0.000 2.498 369 S HA 0.725 5.195 4.470 0.000 0.000 0.324 369 S C 0.216 174.698 174.600 -0.198 0.000 1.071 369 S CA -0.292 57.805 58.200 -0.171 0.000 1.113 369 S CB 1.831 64.750 63.200 -0.467 0.000 0.976 369 S HN 1.460 nan 8.310 nan 0.000 0.462 370 V N -0.376 119.450 119.914 -0.146 0.000 2.630 370 V HA 0.693 4.813 4.120 0.000 0.000 0.305 370 V C -3.128 172.860 176.094 -0.176 0.000 1.046 370 V CA -3.197 59.002 62.300 -0.169 0.000 0.934 370 V CB 0.973 32.743 31.823 -0.089 0.000 1.003 370 V HN 0.480 nan 8.190 nan 0.000 0.451 371 P HA 0.448 nan 4.420 nan 0.000 0.265 371 P C -0.421 176.829 177.300 -0.083 0.000 1.222 371 P CA 0.668 63.639 63.100 -0.216 0.000 0.767 371 P CB 0.627 32.118 31.700 -0.347 0.000 0.801 372 A N 3.915 126.699 122.820 -0.059 0.000 2.479 372 A HA 0.764 5.084 4.320 0.000 0.000 0.296 372 A C -1.633 175.997 177.584 0.075 0.000 1.121 372 A CA -0.614 51.428 52.037 0.008 0.000 0.743 372 A CB 1.136 20.110 19.000 -0.043 0.000 1.323 372 A HN 0.419 nan 8.150 nan 0.000 0.415 373 F N 1.411 121.353 119.950 -0.012 0.000 2.458 373 F HA 0.662 5.189 4.527 0.000 0.000 0.336 373 F C -0.997 174.820 175.800 0.027 0.000 1.114 373 F CA -0.540 57.466 58.000 0.010 0.000 0.987 373 F CB 1.772 40.785 39.000 0.022 0.000 1.130 373 F HN 0.328 nan 8.300 nan 0.000 0.458 374 V N 7.549 126.944 119.914 -0.865 0.000 2.444 374 V HA 0.352 4.472 4.120 0.000 0.000 0.294 374 V C -0.605 174.964 176.094 -0.874 0.000 1.022 374 V CA -0.808 61.108 62.300 -0.640 0.000 0.850 374 V CB 1.456 33.123 31.823 -0.260 0.000 0.992 374 V HN 0.721 nan 8.190 nan 0.000 0.426 375 L N 6.111 126.997 121.223 -0.561 0.000 2.350 375 L HA 0.578 4.918 4.340 0.000 0.000 0.275 375 L C -0.397 176.427 176.870 -0.078 0.000 1.099 375 L CA 0.366 55.068 54.840 -0.231 0.000 0.808 375 L CB 1.040 43.108 42.059 0.015 0.000 1.149 375 L HN 0.517 nan 8.230 nan 0.000 0.442 376 I N 4.194 124.786 120.570 0.036 0.000 2.362 376 I HA 0.339 4.509 4.170 0.000 0.000 0.289 376 I C -0.508 175.720 176.117 0.185 0.000 0.994 376 I CA -0.377 60.989 61.300 0.110 0.000 1.158 376 I CB 1.368 39.456 38.000 0.148 0.000 1.315 376 I HN 0.546 nan 8.210 nan 0.000 0.451 377 Q N 4.468 124.325 119.800 0.094 0.000 2.788 377 Q HA 0.350 4.691 4.340 0.000 0.000 0.261 377 Q C -0.568 175.425 176.000 -0.013 0.000 1.029 377 Q CA -0.233 55.581 55.803 0.019 0.000 0.848 377 Q CB 1.759 30.494 28.738 -0.005 0.000 1.185 377 Q HN 0.633 nan 8.270 nan 0.000 0.482 378 T N -0.997 113.565 114.554 0.014 0.000 2.886 378 T HA 0.255 4.605 4.350 0.000 0.000 0.292 378 T C 0.522 175.088 174.700 -0.224 0.000 1.012 378 T CA -0.479 61.609 62.100 -0.020 0.000 0.982 378 T CB 1.439 70.358 68.868 0.086 0.000 1.018 378 T HN 0.232 nan 8.240 nan 0.000 0.451 379 S N 2.338 117.854 115.700 -0.306 0.000 2.720 379 S HA 0.115 4.585 4.470 0.000 0.000 0.222 379 S C 0.435 175.090 174.600 0.092 0.000 0.958 379 S CA -0.062 57.877 58.200 -0.435 0.000 0.943 379 S CB -0.093 62.932 63.200 -0.291 0.000 0.779 379 S HN 0.552 nan 8.310 nan 0.000 0.526 380 V N 4.171 124.183 119.914 0.162 0.000 2.311 380 V HA 0.272 4.392 4.120 0.000 0.000 0.275 380 V C -2.537 173.753 176.094 0.327 0.000 1.022 380 V CA -2.339 60.097 62.300 0.227 0.000 0.830 380 V CB 0.933 32.823 31.823 0.111 0.000 1.012 380 V HN 0.047 nan 8.190 nan 0.000 0.452 381 P HA 0.065 nan 4.420 nan 0.000 0.260 381 P C 1.382 178.745 177.300 0.105 0.000 1.185 381 P CA 0.014 63.298 63.100 0.307 0.000 0.763 381 P CB 0.426 32.220 31.700 0.157 0.000 0.776 382 I N 2.407 122.930 120.570 -0.077 0.000 2.317 382 I HA -0.347 3.823 4.170 0.000 0.000 0.244 382 I C 1.799 177.967 176.117 0.085 0.000 0.986 382 I CA 2.128 63.346 61.300 -0.136 0.000 1.286 382 I CB -1.312 36.495 38.000 -0.322 0.000 0.983 382 I HN 0.461 nan 8.210 nan 0.000 0.422 383 Q N -0.212 119.623 119.800 0.057 0.000 2.364 383 Q HA -0.178 4.162 4.340 0.000 0.000 0.207 383 Q C 1.994 178.051 176.000 0.095 0.000 0.970 383 Q CA 0.938 56.783 55.803 0.070 0.000 0.888 383 Q CB -0.295 28.438 28.738 -0.008 0.000 0.951 383 Q HN 0.568 nan 8.270 nan 0.000 0.469 384 Q N -1.072 118.777 119.800 0.082 0.000 2.425 384 Q HA 0.088 4.428 4.340 0.000 0.000 0.204 384 Q C -0.232 175.803 176.000 0.059 0.000 0.933 384 Q CA 0.175 56.019 55.803 0.069 0.000 0.939 384 Q CB 0.690 29.467 28.738 0.064 0.000 1.044 384 Q HN 0.065 nan 8.270 nan 0.000 0.513 385 V N 2.187 122.136 119.914 0.058 0.000 2.276 385 V HA 0.067 4.186 4.120 0.000 0.000 0.249 385 V C 1.083 177.131 176.094 -0.076 0.000 1.160 385 V CA 0.693 62.979 62.300 -0.025 0.000 1.042 385 V CB -0.274 31.488 31.823 -0.101 0.000 1.224 385 V HN 0.397 nan 8.190 nan 0.000 0.496 386 T N -0.604 113.928 114.554 -0.037 0.000 3.023 386 T HA 0.105 4.455 4.350 0.000 0.000 0.249 386 T C 0.889 175.549 174.700 -0.067 0.000 1.050 386 T CA 0.654 62.730 62.100 -0.041 0.000 1.088 386 T CB 0.468 69.342 68.868 0.011 0.000 0.946 386 T HN 0.650 nan 8.240 nan 0.000 0.480 387 T N -1.841 112.677 114.554 -0.060 0.000 2.910 387 T HA 0.774 5.124 4.350 0.000 0.000 0.287 387 T C 1.600 176.259 174.700 -0.068 0.000 1.050 387 T CA -0.223 61.841 62.100 -0.061 0.000 1.011 387 T CB 1.472 70.316 68.868 -0.040 0.000 1.195 387 T HN 0.101 nan 8.240 nan 0.000 0.540 388 A N 0.814 123.596 122.820 -0.064 0.000 1.958 388 A HA 0.073 4.393 4.320 0.000 0.000 0.221 388 A C 2.620 180.179 177.584 -0.042 0.000 1.178 388 A CA 2.549 54.552 52.037 -0.057 0.000 0.642 388 A CB -1.667 17.303 19.000 -0.050 0.000 0.816 388 A HN 1.443 nan 8.150 nan 0.000 0.453 389 A N 0.550 123.350 122.820 -0.034 0.000 1.917 389 A HA -0.286 4.034 4.320 0.000 0.000 0.219 389 A C 1.802 179.375 177.584 -0.018 0.000 1.182 389 A CA 2.193 54.216 52.037 -0.023 0.000 0.633 389 A CB -0.873 18.117 19.000 -0.017 0.000 0.819 389 A HN 0.650 nan 8.150 nan 0.000 0.448 390 N N 0.662 119.349 118.700 -0.021 0.000 2.094 390 N HA -0.210 4.530 4.740 0.000 0.000 0.191 390 N C 1.471 176.975 175.510 -0.010 0.000 1.023 390 N CA 1.881 54.923 53.050 -0.013 0.000 0.857 390 N CB -0.853 37.623 38.487 -0.018 0.000 1.013 390 N HN 0.743 nan 8.380 nan 0.000 0.426 391 I N -1.932 118.622 120.570 -0.026 0.000 2.300 391 I HA -0.276 3.894 4.170 0.000 0.000 0.252 391 I C 1.135 177.252 176.117 0.001 0.000 1.119 391 I CA 1.255 62.543 61.300 -0.020 0.000 1.384 391 I CB -1.253 36.726 38.000 -0.035 0.000 1.062 391 I HN 0.093 nan 8.210 nan 0.000 0.426 392 T N -0.114 114.436 114.554 -0.006 0.000 13.467 392 T HA -0.363 3.987 4.350 0.000 0.000 0.419 392 T C 0.619 175.315 174.700 -0.007 0.000 1.441 392 T CA 2.260 64.355 62.100 -0.008 0.000 2.354 392 T CB -1.804 67.055 68.868 -0.014 0.000 2.797 392 T HN 1.205 nan 8.240 nan 0.000 0.557 393 A N 1.950 124.770 122.820 -0.000 0.000 2.310 393 A HA 0.692 5.012 4.320 0.000 0.000 0.304 393 A C -0.169 177.418 177.584 0.006 0.000 1.231 393 A CA -0.743 51.295 52.037 0.003 0.000 0.799 393 A CB 0.218 19.220 19.000 0.003 0.000 1.162 393 A HN 0.805 nan 8.150 nan 0.000 0.486 394 I N 1.712 122.281 120.570 -0.002 0.000 2.281 394 I HA 0.473 4.643 4.170 0.000 0.000 0.293 394 I C 0.273 176.387 176.117 -0.004 0.000 1.085 394 I CA -0.257 61.038 61.300 -0.008 0.000 1.257 394 I CB 0.827 38.821 38.000 -0.010 0.000 1.430 394 I HN 0.411 nan 8.210 nan 0.000 0.489 395 T N 2.875 117.420 114.554 -0.014 0.000 2.770 395 T HA 0.491 4.841 4.350 0.000 0.000 0.297 395 T C 0.016 174.696 174.700 -0.034 0.000 0.997 395 T CA -0.771 61.328 62.100 -0.002 0.000 0.949 395 T CB 1.080 69.958 68.868 0.017 0.000 0.941 395 T HN 0.337 nan 8.240 nan 0.000 0.457 396 V N 5.220 125.130 119.914 -0.008 0.000 2.416 396 V HA 0.022 4.142 4.120 0.000 0.000 0.267 396 V C 1.368 177.480 176.094 0.030 0.000 1.007 396 V CA -0.066 62.230 62.300 -0.007 0.000 1.102 396 V CB -0.486 31.352 31.823 0.025 0.000 1.035 396 V HN 0.901 nan 8.190 nan 0.000 0.473 397 V N 3.371 123.313 119.914 0.047 0.000 2.581 397 V HA 0.050 4.170 4.120 0.000 0.000 0.240 397 V C 1.116 177.312 176.094 0.169 0.000 1.054 397 V CA 0.955 63.340 62.300 0.141 0.000 1.076 397 V CB 0.324 32.288 31.823 0.234 0.000 0.748 397 V HN 0.796 nan 8.190 nan 0.000 0.474 398 S N 0.414 116.248 115.700 0.223 0.000 2.426 398 S HA 0.729 5.199 4.470 0.000 0.000 0.236 398 S C 0.387 175.066 174.600 0.133 0.000 1.368 398 S CA 0.322 58.650 58.200 0.213 0.000 1.154 398 S CB 1.209 64.583 63.200 0.289 0.000 1.037 398 S HN 0.493 nan 8.310 nan 0.000 0.481 399 A N 1.390 124.261 122.820 0.085 0.000 2.295 399 A HA 0.784 5.104 4.320 0.000 0.000 0.193 399 A C 1.299 178.913 177.584 0.050 0.000 1.512 399 A CA 0.772 52.842 52.037 0.054 0.000 1.103 399 A CB -0.469 18.543 19.000 0.020 0.000 1.331 399 A HN 1.348 nan 8.150 nan 0.000 0.501 400 A N -0.423 122.425 122.820 0.048 0.000 5.093 400 A HA -0.125 4.195 4.320 0.000 0.000 0.329 400 A C 1.652 179.243 177.584 0.011 0.000 1.836 400 A CA 1.654 53.713 52.037 0.036 0.000 0.707 400 A CB -2.073 16.957 19.000 0.051 0.000 1.389 400 A HN 2.118 nan 8.150 nan 0.000 0.383 401 G N -0.377 108.430 108.800 0.013 0.000 2.508 401 G HA2 0.626 4.586 3.960 0.000 0.000 0.301 401 G HA3 0.626 4.586 3.960 0.000 0.000 0.301 401 G C 0.131 175.020 174.900 -0.018 0.000 0.965 401 G CA 1.042 46.137 45.100 -0.009 0.000 1.339 401 G HN 2.022 nan 8.290 nan 0.000 0.455 402 A N 2.851 125.640 122.820 -0.053 0.000 3.126 402 A HA 0.588 4.908 4.320 0.000 0.000 0.268 402 A C 1.202 178.742 177.584 -0.073 0.000 1.605 402 A CA 0.136 52.138 52.037 -0.059 0.000 1.305 402 A CB -0.222 18.739 19.000 -0.064 0.000 1.160 402 A HN 0.870 nan 8.150 nan 0.000 0.609 403 S N 0.113 115.787 115.700 -0.044 0.000 3.657 403 S HA 0.930 5.400 4.470 0.000 0.000 0.183 403 S C 0.329 174.917 174.600 -0.019 0.000 0.995 403 S CA 0.238 58.421 58.200 -0.030 0.000 1.333 403 S CB 0.371 63.554 63.200 -0.028 0.000 1.197 403 S HN 2.114 nan 8.310 nan 0.000 0.856 404 A N -0.251 122.566 122.820 -0.004 0.000 2.519 404 A HA 0.641 4.961 4.320 0.000 0.000 0.298 404 A C -2.100 175.499 177.584 0.024 0.000 0.963 404 A CA -0.259 51.785 52.037 0.012 0.000 0.624 404 A CB 0.027 19.015 19.000 -0.020 0.000 1.356 404 A HN 1.385 nan 8.150 nan 0.000 0.441 405 I N 0.047 120.650 120.570 0.056 0.000 2.775 405 I HA 0.507 4.677 4.170 0.000 0.000 0.295 405 I C -0.975 175.193 176.117 0.085 0.000 1.287 405 I CA -0.481 60.849 61.300 0.050 0.000 1.029 405 I CB 2.112 40.132 38.000 0.034 0.000 1.282 405 I HN 0.568 nan 8.210 nan 0.000 0.426 406 N N 6.735 125.466 118.700 0.052 0.000 2.736 406 N HA 0.147 4.887 4.740 0.000 0.000 0.307 406 N C 0.765 176.302 175.510 0.046 0.000 1.212 406 N CA 0.264 53.348 53.050 0.057 0.000 1.158 406 N CB -0.204 38.300 38.487 0.027 0.000 1.460 406 N HN 0.538 nan 8.380 nan 0.000 0.514 407 L N -0.369 120.897 121.223 0.072 0.000 2.478 407 L HA 0.094 4.434 4.340 0.000 0.000 0.223 407 L C 1.096 177.908 176.870 -0.097 0.000 1.140 407 L CA -0.048 54.744 54.840 -0.079 0.000 0.842 407 L CB -0.231 41.656 42.059 -0.287 0.000 0.953 407 L HN 0.369 nan 8.230 nan 0.000 0.452 408 A N 0.521 123.382 122.820 0.069 0.000 2.401 408 A HA 0.372 4.692 4.320 0.000 0.000 0.259 408 A C 0.294 177.895 177.584 0.028 0.000 1.103 408 A CA -0.465 51.618 52.037 0.078 0.000 0.789 408 A CB -0.101 18.985 19.000 0.144 0.000 1.035 408 A HN 0.198 nan 8.150 nan 0.000 0.491 409 I N 3.088 123.667 120.570 0.016 0.000 2.906 409 I HA -0.104 4.066 4.170 0.000 0.000 0.312 409 I C 1.057 177.185 176.117 0.018 0.000 1.169 409 I CA 0.469 61.774 61.300 0.009 0.000 2.267 409 I CB -1.029 36.973 38.000 0.004 0.000 1.624 409 I HN 0.733 nan 8.210 nan 0.000 1.067 410 N N 2.009 120.719 118.700 0.017 0.000 2.446 410 N HA -0.070 4.670 4.740 0.000 0.000 0.179 410 N C 1.797 177.315 175.510 0.014 0.000 1.054 410 N CA 0.180 53.241 53.050 0.019 0.000 0.905 410 N CB 0.292 38.790 38.487 0.018 0.000 0.973 410 N HN 0.354 nan 8.380 nan 0.000 0.448 411 V N 1.143 121.063 119.914 0.010 0.000 2.231 411 V HA -0.243 3.877 4.120 0.000 0.000 0.248 411 V C 1.232 177.332 176.094 0.009 0.000 1.054 411 V CA 1.703 64.007 62.300 0.008 0.000 1.015 411 V CB -0.304 31.522 31.823 0.004 0.000 0.638 411 V HN 0.258 nan 8.190 nan 0.000 0.444 412 R N -0.028 120.478 120.500 0.011 0.000 3.179 412 R HA 0.442 4.782 4.340 0.000 0.000 0.317 412 R C 1.215 177.524 176.300 0.016 0.000 1.331 412 R CA 0.680 56.787 56.100 0.012 0.000 1.184 412 R CB 0.183 30.489 30.300 0.011 0.000 1.408 412 R HN 0.595 nan 8.270 nan 0.000 0.598 413 G N -0.232 108.578 108.800 0.017 0.000 2.267 413 G HA2 -0.368 3.592 3.960 0.000 0.000 0.257 413 G HA3 -0.368 3.592 3.960 0.000 0.000 0.257 413 G C 0.036 174.951 174.900 0.026 0.000 0.998 413 G CA -0.126 44.986 45.100 0.021 0.000 0.620 413 G HN 0.426 nan 8.290 nan 0.000 0.529 414 Q N 1.311 121.127 119.800 0.027 0.000 2.361 414 Q HA 0.464 4.804 4.340 0.000 0.000 0.276 414 Q C -2.185 173.841 176.000 0.043 0.000 1.022 414 Q CA -0.437 55.387 55.803 0.034 0.000 0.898 414 Q CB 1.087 29.845 28.738 0.032 0.000 1.246 414 Q HN 0.361 nan 8.270 nan 0.000 0.410 415 P HA 0.274 nan 4.420 nan 0.000 0.199 415 P C -1.133 176.224 177.300 0.095 0.000 1.878 415 P CA -0.541 62.601 63.100 0.070 0.000 1.202 415 P CB 0.751 32.490 31.700 0.064 0.000 1.719 416 R N 2.401 122.958 120.500 0.094 0.000 2.363 416 R HA 0.344 4.684 4.340 0.000 0.000 0.297 416 R C -0.688 175.685 176.300 0.121 0.000 1.208 416 R CA -0.901 55.261 56.100 0.103 0.000 1.121 416 R CB 0.239 30.576 30.300 0.061 0.000 1.124 416 R HN 0.340 nan 8.270 nan 0.000 0.561 417 F N 2.857 122.819 119.950 0.021 0.000 2.472 417 F HA 0.081 4.608 4.527 0.000 0.000 0.364 417 F C 1.122 176.932 175.800 0.018 0.000 1.090 417 F CA -0.417 57.593 58.000 0.017 0.000 1.188 417 F CB 0.469 39.482 39.000 0.022 0.000 1.105 417 F HN 0.500 nan 8.300 nan 0.000 0.536 418 N N 6.211 124.533 118.700 -0.630 0.000 2.121 418 N HA -0.205 4.535 4.740 0.000 0.000 0.260 418 N C -0.063 175.137 175.510 -0.517 0.000 1.229 418 N CA 0.350 53.055 53.050 -0.575 0.000 0.830 418 N CB 0.380 38.532 38.487 -0.558 0.000 1.073 418 N HN 0.704 nan 8.380 nan 0.000 0.465 419 M N 2.446 121.918 119.600 -0.213 0.000 2.435 419 M HA 0.179 4.659 4.480 0.000 0.000 0.338 419 M C -0.989 175.294 176.300 -0.029 0.000 1.628 419 M CA -0.242 55.019 55.300 -0.066 0.000 1.215 419 M CB 0.072 32.664 32.600 -0.013 0.000 1.905 419 M HN 0.374 nan 8.290 nan 0.000 0.457 420 L N 4.222 125.499 121.223 0.089 0.000 2.334 420 L HA 0.366 4.706 4.340 0.000 0.000 0.277 420 L C -0.739 176.235 176.870 0.173 0.000 1.075 420 L CA 0.028 54.971 54.840 0.170 0.000 0.804 420 L CB 1.068 43.321 42.059 0.323 0.000 1.174 420 L HN 0.733 nan 8.230 nan 0.000 0.438 421 H N 4.204 123.313 119.070 0.065 0.000 2.661 421 H HA 0.486 5.042 4.556 0.000 0.000 0.290 421 H C -1.055 174.305 175.328 0.053 0.000 1.082 421 H CA -0.440 55.637 56.048 0.049 0.000 1.234 421 H CB 0.459 30.238 29.762 0.028 0.000 1.387 421 H HN 0.545 nan 8.280 nan 0.000 0.476 422 L N 4.022 125.217 121.223 -0.047 0.000 2.357 422 L HA 0.370 4.710 4.340 0.000 0.000 0.273 422 L C -0.273 176.534 176.870 -0.105 0.000 1.080 422 L CA -0.729 54.100 54.840 -0.017 0.000 0.803 422 L CB 1.282 43.361 42.059 0.033 0.000 1.174 422 L HN 0.573 nan 8.230 nan 0.000 0.443 423 Q N 2.314 122.100 119.800 -0.024 0.000 2.304 423 Q HA 0.548 4.888 4.340 0.000 0.000 0.270 423 Q C -1.124 174.876 176.000 -0.001 0.000 1.035 423 Q CA -0.484 55.298 55.803 -0.035 0.000 0.781 423 Q CB 2.400 31.156 28.738 0.031 0.000 1.261 423 Q HN 0.671 nan 8.270 nan 0.000 0.444 424 A N 1.846 124.626 122.820 -0.066 0.000 2.536 424 A HA 0.377 4.697 4.320 0.000 0.000 0.329 424 A C 0.361 177.963 177.584 0.030 0.000 1.321 424 A CA -0.718 51.318 52.037 -0.001 0.000 0.804 424 A CB -0.001 18.925 19.000 -0.124 0.000 1.126 424 A HN 0.638 nan 8.150 nan 0.000 0.480 425 T N 0.612 115.192 114.554 0.044 0.000 3.235 425 T HA -0.048 4.302 4.350 0.000 0.000 0.211 425 T C 0.046 174.760 174.700 0.024 0.000 0.983 425 T CA 0.015 62.127 62.100 0.020 0.000 2.783 425 T CB -1.228 67.644 68.868 0.008 0.000 1.023 425 T HN 0.513 nan 8.240 nan 0.000 0.506 426 F N 3.527 123.465 119.950 -0.020 0.000 2.574 426 F HA 0.216 4.743 4.527 0.000 0.000 0.332 426 F C 0.021 175.813 175.800 -0.012 0.000 1.289 426 F CA -1.291 56.703 58.000 -0.010 0.000 1.029 426 F CB -0.721 38.259 39.000 -0.033 0.000 1.346 426 F HN 0.408 nan 8.300 nan 0.000 0.647 427 E N 6.270 126.236 120.200 -0.391 0.000 2.101 427 E HA 0.104 4.454 4.350 0.000 0.000 0.260 427 E C 1.254 177.750 176.600 -0.174 0.000 0.897 427 E CA -0.327 55.865 56.400 -0.348 0.000 0.744 427 E CB 0.742 30.342 29.700 -0.167 0.000 1.140 427 E HN 0.711 nan 8.360 nan 0.000 0.419 428 R N 1.899 122.250 120.500 -0.247 0.000 2.211 428 R HA -0.178 4.162 4.340 0.000 0.000 0.240 428 R C 0.671 176.989 176.300 0.031 0.000 1.144 428 R CA 1.362 57.488 56.100 0.044 0.000 0.992 428 R CB -0.063 30.317 30.300 0.133 0.000 0.869 428 R HN 0.205 nan 8.270 nan 0.000 0.462 429 E N 0.893 121.080 120.200 -0.022 0.000 2.153 429 E HA -0.103 4.247 4.350 0.000 0.000 0.194 429 E C 1.791 178.393 176.600 0.004 0.000 0.988 429 E CA 1.917 58.311 56.400 -0.009 0.000 0.811 429 E CB -0.155 29.529 29.700 -0.027 0.000 0.746 429 E HN 0.373 nan 8.360 nan 0.000 0.466 430 T N 0.573 115.130 114.554 0.005 0.000 2.721 430 T HA -0.179 4.171 4.350 0.000 0.000 0.268 430 T C 1.712 176.431 174.700 0.031 0.000 1.038 430 T CA 1.482 63.595 62.100 0.021 0.000 1.145 430 T CB -0.166 68.720 68.868 0.030 0.000 0.858 430 T HN 0.150 nan 8.240 nan 0.000 0.459 431 I N 0.121 120.717 120.570 0.043 0.000 3.616 431 I HA 0.099 4.269 4.170 0.000 0.000 0.296 431 I C 0.953 177.086 176.117 0.027 0.000 1.226 431 I CA 0.361 61.682 61.300 0.035 0.000 1.394 431 I CB -0.277 37.749 38.000 0.044 0.000 1.171 431 I HN 0.184 nan 8.210 nan 0.000 0.442 432 T N 0.046 114.622 114.554 0.036 0.000 3.882 432 T HA -0.130 4.220 4.350 0.000 0.000 0.366 432 T C 0.886 175.609 174.700 0.038 0.000 0.760 432 T CA 0.256 62.377 62.100 0.035 0.000 1.931 432 T CB -2.602 66.280 68.868 0.023 0.000 1.807 432 T HN 1.342 nan 8.240 nan 0.000 0.790 433 G N 1.529 110.359 108.800 0.050 0.000 2.578 433 G HA2 -0.094 3.866 3.960 0.000 0.000 0.275 433 G HA3 -0.094 3.866 3.960 0.000 0.000 0.275 433 G C 0.703 175.608 174.900 0.008 0.000 1.271 433 G CA 0.533 45.662 45.100 0.049 0.000 0.941 433 G HN 1.786 nan 8.290 nan 0.000 0.564 434 I N -2.702 117.889 120.570 0.035 0.000 4.538 434 I HA -0.232 3.938 4.170 0.000 0.000 0.053 434 I C -1.583 174.398 176.117 -0.228 0.000 0.613 434 I CA 1.992 63.280 61.300 -0.020 0.000 0.944 434 I CB -1.925 36.071 38.000 -0.007 0.000 0.852 434 I HN 0.741 nan 8.210 nan 0.000 0.162 435 P HA 0.266 nan 4.420 nan 0.000 0.219 435 P C -0.736 176.237 177.300 -0.544 0.000 1.847 435 P CA -0.128 62.688 63.100 -0.473 0.000 1.110 435 P CB -0.587 30.968 31.700 -0.242 0.000 1.839 436 Y N 1.063 121.277 120.300 -0.142 0.000 3.073 436 Y HA -0.068 4.482 4.550 0.000 0.000 0.343 436 Y C 1.085 176.564 175.900 -0.703 0.000 1.274 436 Y CA -0.369 57.531 58.100 -0.334 0.000 1.554 436 Y CB -0.600 37.664 38.460 -0.326 0.000 1.250 436 Y HN 0.154 nan 8.280 nan 0.000 0.622 437 I N 4.253 124.550 120.570 -0.455 0.000 2.325 437 I HA 0.256 4.426 4.170 0.000 0.000 0.291 437 I C -0.534 175.315 176.117 -0.448 0.000 1.019 437 I CA -0.209 60.864 61.300 -0.378 0.000 1.302 437 I CB -0.104 37.823 38.000 -0.122 0.000 1.401 437 I HN 0.462 nan 8.210 nan 0.000 0.485 438 Y N 3.756 124.087 120.300 0.052 0.000 2.602 438 Y HA 0.914 5.464 4.550 0.000 0.000 0.342 438 Y C 0.574 176.497 175.900 0.038 0.000 1.029 438 Y CA -1.327 56.800 58.100 0.046 0.000 1.080 438 Y CB 2.177 40.663 38.460 0.044 0.000 1.284 438 Y HN 0.557 nan 8.280 nan 0.000 0.485 439 G N 0.663 109.601 108.800 0.230 0.000 2.703 439 G HA2 0.550 4.510 3.960 0.000 0.000 0.294 439 G HA3 0.550 4.510 3.960 0.000 0.000 0.294 439 G C -2.636 172.302 174.900 0.065 0.000 1.451 439 G CA -0.636 44.498 45.100 0.057 0.000 0.869 439 G HN 0.552 nan 8.290 nan 0.000 0.516 440 L N 0.413 121.541 121.223 -0.158 0.000 2.303 440 L HA 0.984 5.324 4.340 0.000 0.000 0.256 440 L C 0.276 177.136 176.870 -0.016 0.000 1.034 440 L CA -0.459 54.355 54.840 -0.043 0.000 0.832 440 L CB 2.373 44.391 42.059 -0.069 0.000 1.403 440 L HN 0.914 nan 8.230 nan 0.000 0.419 441 G N -0.077 108.746 108.800 0.038 0.000 2.470 441 G HA2 0.610 4.570 3.960 0.000 0.000 0.320 441 G HA3 0.610 4.570 3.960 0.000 0.000 0.320 441 G C -1.308 173.550 174.900 -0.070 0.000 1.245 441 G CA -0.270 44.851 45.100 0.035 0.000 0.935 441 G HN 0.669 nan 8.290 nan 0.000 0.476 442 T N 0.963 115.452 114.554 -0.109 0.000 3.289 442 T HA 0.331 4.681 4.350 0.000 0.000 0.370 442 T C -0.789 173.818 174.700 -0.156 0.000 1.546 442 T CA -0.689 61.301 62.100 -0.184 0.000 1.144 442 T CB 0.256 69.145 68.868 0.036 0.000 1.379 442 T HN 0.959 nan 8.240 nan 0.000 0.478 443 F N 4.459 124.342 119.950 -0.112 0.000 2.583 443 F HA 0.398 4.925 4.527 0.000 0.000 0.330 443 F C -0.058 175.477 175.800 -0.441 0.000 1.298 443 F CA -1.286 56.586 58.000 -0.214 0.000 1.099 443 F CB -1.426 37.468 39.000 -0.176 0.000 1.540 443 F HN 0.376 nan 8.300 nan 0.000 0.673 444 L N 4.305 125.296 121.223 -0.386 0.000 2.326 444 L HA 0.574 4.914 4.340 0.000 0.000 0.278 444 L C -0.517 176.129 176.870 -0.372 0.000 1.092 444 L CA -0.536 53.784 54.840 -0.866 0.000 0.810 444 L CB 1.052 42.837 42.059 -0.456 0.000 1.153 444 L HN 0.668 nan 8.230 nan 0.000 0.439 445 I N 5.921 126.369 120.570 -0.204 0.000 2.530 445 I HA 0.425 4.595 4.170 0.000 0.000 0.297 445 I C -2.007 174.193 176.117 0.138 0.000 1.011 445 I CA -2.332 59.010 61.300 0.071 0.000 1.107 445 I CB 2.679 40.803 38.000 0.206 0.000 1.285 445 I HN 0.530 nan 8.210 nan 0.000 0.436 446 P HA -0.055 nan 4.420 nan 0.000 0.215 446 P C 0.126 177.499 177.300 0.122 0.000 1.157 446 P CA 0.597 63.789 63.100 0.153 0.000 0.856 446 P CB 0.189 31.980 31.700 0.151 0.000 0.786 447 S N 1.085 116.842 115.700 0.095 0.000 2.506 447 S HA 0.125 4.595 4.470 0.000 0.000 0.291 447 S C -2.299 172.333 174.600 0.053 0.000 1.230 447 S CA -1.284 56.957 58.200 0.069 0.000 1.107 447 S CB -0.841 62.392 63.200 0.054 0.000 0.942 447 S HN -0.120 nan 8.310 nan 0.000 0.502 448 P HA 0.085 nan 4.420 nan 0.000 0.264 448 P C -0.474 176.794 177.300 -0.053 0.000 1.193 448 P CA 0.006 63.105 63.100 -0.003 0.000 0.763 448 P CB 0.357 32.052 31.700 -0.009 0.000 0.810 449 T N -0.582 113.903 114.554 -0.114 0.000 2.795 449 T HA 0.281 4.631 4.350 0.000 0.000 0.282 449 T C 0.283 174.880 174.700 -0.172 0.000 0.980 449 T CA -0.793 61.164 62.100 -0.239 0.000 1.012 449 T CB 0.608 69.163 68.868 -0.521 0.000 0.936 449 T HN 0.145 nan 8.240 nan 0.000 0.457 450 S N 2.884 118.499 115.700 -0.142 0.000 2.670 450 S HA 0.089 4.559 4.470 0.000 0.000 0.328 450 S C 1.708 176.289 174.600 -0.033 0.000 1.179 450 S CA -0.201 57.958 58.200 -0.069 0.000 1.194 450 S CB -0.738 62.438 63.200 -0.039 0.000 1.359 450 S HN 0.857 nan 8.310 nan 0.000 0.555 451 S N 4.094 119.769 115.700 -0.042 0.000 2.389 451 S HA -0.193 4.277 4.470 0.000 0.000 0.231 451 S C 2.225 176.815 174.600 -0.016 0.000 1.052 451 S CA 2.379 60.562 58.200 -0.028 0.000 1.053 451 S CB -0.620 62.547 63.200 -0.056 0.000 0.886 451 S HN 0.999 nan 8.310 nan 0.000 0.456 452 S N 1.797 117.488 115.700 -0.016 0.000 2.348 452 S HA -0.144 4.326 4.470 0.000 0.000 0.221 452 S C 1.643 176.245 174.600 0.004 0.000 1.033 452 S CA 1.457 59.650 58.200 -0.012 0.000 1.010 452 S CB -1.112 62.081 63.200 -0.012 0.000 0.891 452 S HN 0.650 nan 8.310 nan 0.000 0.442 453 N N 1.898 120.609 118.700 0.019 0.000 2.000 453 N HA -0.055 4.685 4.740 0.000 0.000 0.198 453 N C 0.591 176.166 175.510 0.107 0.000 1.057 453 N CA 1.379 54.458 53.050 0.049 0.000 0.858 453 N CB -0.835 37.677 38.487 0.041 0.000 1.057 453 N HN 0.559 nan 8.380 nan 0.000 0.423 454 F N 1.972 121.871 119.950 -0.086 0.000 2.626 454 F HA 0.224 4.751 4.527 0.000 0.000 0.353 454 F C 1.209 176.967 175.800 -0.070 0.000 1.230 454 F CA -0.865 57.084 58.000 -0.085 0.000 1.298 454 F CB -0.382 38.506 39.000 -0.188 0.000 1.670 454 F HN 0.064 nan 8.300 nan 0.000 0.633 455 S N 1.230 116.849 115.700 -0.135 0.000 2.420 455 S HA -0.273 4.197 4.470 0.000 0.000 0.237 455 S C 1.108 175.489 174.600 -0.366 0.000 1.023 455 S CA 0.720 58.793 58.200 -0.212 0.000 0.991 455 S CB -0.751 62.385 63.200 -0.107 0.000 0.792 455 S HN 0.751 nan 8.310 nan 0.000 0.488 456 N N 3.562 121.913 118.700 -0.581 0.000 2.411 456 N HA 0.003 4.743 4.740 0.000 0.000 0.265 456 N C -1.307 173.802 175.510 -0.668 0.000 1.266 456 N CA -0.915 51.776 53.050 -0.599 0.000 0.889 456 N CB 1.076 39.269 38.487 -0.490 0.000 1.069 456 N HN 0.153 nan 8.380 nan 0.000 0.476 457 P HA -0.070 nan 4.420 nan 0.000 0.213 457 P C 0.305 177.651 177.300 0.077 0.000 1.170 457 P CA 1.330 64.364 63.100 -0.110 0.000 0.898 457 P CB 0.250 31.924 31.700 -0.043 0.000 0.787 458 T N -1.722 112.893 114.554 0.102 0.000 3.610 458 T HA 0.323 4.673 4.350 0.000 0.000 0.419 458 T C -1.178 173.518 174.700 -0.008 0.000 1.582 458 T CA -0.588 61.636 62.100 0.207 0.000 1.146 458 T CB -0.230 68.728 68.868 0.150 0.000 1.460 458 T HN -0.158 nan 8.240 nan 0.000 0.465 459 L N 4.434 125.618 121.223 -0.065 0.000 3.141 459 L HA 0.476 4.816 4.340 0.000 0.000 0.263 459 L C 0.986 177.681 176.870 -0.292 0.000 1.312 459 L CA -0.275 54.492 54.840 -0.122 0.000 1.012 459 L CB 0.375 42.476 42.059 0.070 0.000 1.408 459 L HN 0.536 nan 8.230 nan 0.000 0.559 460 M N 1.868 121.164 119.600 -0.507 0.000 3.237 460 M HA 0.104 4.584 4.480 0.000 0.000 0.266 460 M C -0.639 175.550 176.300 -0.185 0.000 1.456 460 M CA 0.485 55.546 55.300 -0.399 0.000 1.593 460 M CB -0.140 32.153 32.600 -0.511 0.000 1.129 460 M HN 0.232 nan 8.290 nan 0.000 0.547 461 D N 3.188 123.514 120.400 -0.123 0.000 2.518 461 D HA 0.306 4.946 4.640 0.000 0.000 0.230 461 D C 0.316 176.605 176.300 -0.019 0.000 1.138 461 D CA 0.058 54.013 54.000 -0.075 0.000 0.964 461 D CB 1.163 41.897 40.800 -0.110 0.000 1.011 461 D HN 0.721 nan 8.370 nan 0.000 0.517 462 G N 0.881 109.683 108.800 0.003 0.000 3.392 462 G HA2 0.435 4.395 3.960 0.000 0.000 0.185 462 G HA3 0.435 4.395 3.960 0.000 0.000 0.185 462 G C -0.770 174.160 174.900 0.050 0.000 1.206 462 G CA -0.206 44.915 45.100 0.036 0.000 0.776 462 G HN 0.302 nan 8.290 nan 0.000 0.697 463 L N -0.416 120.841 121.223 0.056 0.000 2.330 463 L HA 0.833 5.173 4.340 0.000 0.000 0.271 463 L C -1.421 175.493 176.870 0.073 0.000 1.013 463 L CA -0.833 54.047 54.840 0.068 0.000 0.816 463 L CB 2.073 44.165 42.059 0.055 0.000 1.287 463 L HN 0.318 nan 8.230 nan 0.000 0.435 464 L N 3.133 124.430 121.223 0.122 0.000 2.454 464 L HA 0.475 4.815 4.340 0.000 0.000 0.258 464 L C -0.782 176.219 176.870 0.218 0.000 1.025 464 L CA 0.169 55.099 54.840 0.149 0.000 0.901 464 L CB 1.179 43.355 42.059 0.194 0.000 1.210 464 L HN 0.634 nan 8.230 nan 0.000 0.457 465 T N 3.857 118.472 114.554 0.102 0.000 2.997 465 T HA 0.282 4.632 4.350 0.000 0.000 0.311 465 T C 0.203 174.946 174.700 0.073 0.000 1.079 465 T CA -0.254 61.899 62.100 0.089 0.000 0.982 465 T CB 0.283 69.162 68.868 0.017 0.000 1.032 465 T HN 0.249 nan 8.240 nan 0.000 0.581 466 V N 4.698 124.703 119.914 0.152 0.000 2.458 466 V HA 0.016 4.136 4.120 0.000 0.000 0.287 466 V C 1.103 177.209 176.094 0.019 0.000 1.009 466 V CA 0.242 62.555 62.300 0.021 0.000 1.091 466 V CB 0.058 31.786 31.823 -0.159 0.000 0.960 466 V HN 0.813 nan 8.190 nan 0.000 0.476 467 T N 9.098 123.642 114.554 -0.016 0.000 3.364 467 T HA 0.172 4.522 4.350 0.000 0.000 0.323 467 T C -1.996 172.684 174.700 -0.033 0.000 1.323 467 T CA -0.862 61.228 62.100 -0.017 0.000 1.073 467 T CB 0.210 69.070 68.868 -0.013 0.000 1.150 467 T HN 0.579 nan 8.240 nan 0.000 0.727 468 P HA 0.058 nan 4.420 nan 0.000 0.244 468 P C 1.477 178.756 177.300 -0.036 0.000 1.723 468 P CA -0.133 62.942 63.100 -0.043 0.000 1.110 468 P CB -0.243 31.439 31.700 -0.031 0.000 1.972 469 V N 1.101 120.984 119.914 -0.051 0.000 2.317 469 V HA -0.215 3.905 4.120 0.000 0.000 0.251 469 V C 1.343 177.413 176.094 -0.041 0.000 1.065 469 V CA 1.309 63.581 62.300 -0.046 0.000 1.049 469 V CB -1.461 30.326 31.823 -0.059 0.000 0.651 469 V HN 0.195 nan 8.190 nan 0.000 0.450 470 L N 0.763 121.953 121.223 -0.054 0.000 2.387 470 L HA 0.370 4.710 4.340 0.000 0.000 0.267 470 L C 1.015 177.874 176.870 -0.018 0.000 1.197 470 L CA 0.187 55.002 54.840 -0.042 0.000 1.070 470 L CB 0.304 42.325 42.059 -0.063 0.000 1.349 470 L HN 0.149 nan 8.230 nan 0.000 0.422 471 L N 2.185 123.405 121.223 -0.006 0.000 2.450 471 L HA -0.037 4.303 4.340 0.000 0.000 0.224 471 L C 1.126 178.008 176.870 0.019 0.000 1.149 471 L CA 0.804 55.651 54.840 0.012 0.000 0.816 471 L CB -0.628 41.439 42.059 0.014 0.000 0.932 471 L HN 0.405 nan 8.230 nan 0.000 0.449 472 R N 1.725 122.230 120.500 0.008 0.000 2.345 472 R HA 0.064 4.404 4.340 0.000 0.000 0.331 472 R C -0.057 176.253 176.300 0.017 0.000 1.067 472 R CA 0.113 56.220 56.100 0.012 0.000 0.962 472 R CB -0.842 29.460 30.300 0.003 0.000 0.987 472 R HN 0.254 nan 8.270 nan 0.000 0.451 473 E N 1.335 121.554 120.200 0.032 0.000 6.247 473 E HA -0.132 4.218 4.350 0.000 0.000 0.184 473 E C -1.206 175.422 176.600 0.047 0.000 1.139 473 E CA 0.192 56.615 56.400 0.038 0.000 1.420 473 E CB -0.456 29.260 29.700 0.027 0.000 0.963 473 E HN 0.687 nan 8.360 nan 0.000 0.328 474 T N 1.681 116.275 114.554 0.067 0.000 2.884 474 T HA 0.333 4.683 4.350 0.000 0.000 0.298 474 T C 0.526 175.274 174.700 0.080 0.000 0.998 474 T CA -0.180 61.964 62.100 0.073 0.000 1.124 474 T CB 1.378 70.305 68.868 0.099 0.000 0.931 474 T HN 0.275 nan 8.240 nan 0.000 0.531 475 T N 3.255 117.854 114.554 0.076 0.000 2.853 475 T HA 0.072 4.422 4.350 0.000 0.000 0.298 475 T C -0.508 174.272 174.700 0.133 0.000 0.978 475 T CA -0.035 62.122 62.100 0.094 0.000 1.152 475 T CB -0.309 68.600 68.868 0.068 0.000 0.914 475 T HN 0.651 nan 8.240 nan 0.000 0.539 476 Y N 4.290 124.591 120.300 0.001 0.000 2.676 476 Y HA 0.250 4.800 4.550 0.000 0.000 0.338 476 Y C 0.399 176.304 175.900 0.008 0.000 1.057 476 Y CA -0.820 57.275 58.100 -0.008 0.000 1.314 476 Y CB -0.246 38.201 38.460 -0.022 0.000 1.164 476 Y HN 0.704 nan 8.280 nan 0.000 0.509 477 K N 4.441 124.794 120.400 -0.078 0.000 4.387 477 K HA -0.237 4.083 4.320 0.000 0.000 0.290 477 K C 1.017 177.641 176.600 0.041 0.000 0.936 477 K CA 0.655 56.892 56.287 -0.084 0.000 0.890 477 K CB -1.671 30.686 32.500 -0.237 0.000 1.617 477 K HN 1.159 nan 8.250 nan 0.000 0.437 478 G N 0.801 109.643 108.800 0.069 0.000 2.382 478 G HA2 -0.390 3.570 3.960 0.000 0.000 0.259 478 G HA3 -0.390 3.570 3.960 0.000 0.000 0.259 478 G C 0.002 174.958 174.900 0.094 0.000 1.009 478 G CA 0.895 46.048 45.100 0.088 0.000 0.625 478 G HN 0.609 nan 8.290 nan 0.000 0.541 479 E N 0.937 121.210 120.200 0.121 0.000 1.932 479 E HA 0.392 4.742 4.350 0.000 0.000 0.275 479 E C 0.358 177.023 176.600 0.108 0.000 1.159 479 E CA -0.507 55.966 56.400 0.122 0.000 0.905 479 E CB 1.184 30.986 29.700 0.170 0.000 1.059 479 E HN 0.164 nan 8.360 nan 0.000 0.400 480 V N 4.879 124.841 119.914 0.079 0.000 2.399 480 V HA -0.035 4.085 4.120 0.000 0.000 0.245 480 V C 0.224 176.347 176.094 0.049 0.000 1.089 480 V CA 0.343 62.681 62.300 0.064 0.000 1.196 480 V CB -0.333 31.524 31.823 0.058 0.000 1.221 480 V HN 0.334 nan 8.190 nan 0.000 0.482 481 V N 3.699 123.643 119.914 0.051 0.000 2.715 481 V HA 0.395 4.515 4.120 0.000 0.000 0.310 481 V C 0.855 176.964 176.094 0.024 0.000 1.054 481 V CA -0.577 61.737 62.300 0.025 0.000 0.928 481 V CB 2.297 34.118 31.823 -0.003 0.000 1.007 481 V HN 0.740 nan 8.190 nan 0.000 0.437 482 D N 3.938 124.345 120.400 0.012 0.000 2.348 482 D HA 0.145 4.785 4.640 0.000 0.000 0.248 482 D C 0.242 176.551 176.300 0.016 0.000 1.142 482 D CA 0.613 54.624 54.000 0.017 0.000 0.904 482 D CB 0.446 41.255 40.800 0.014 0.000 0.901 482 D HN 0.556 nan 8.370 nan 0.000 0.523 483 A N 0.820 123.638 122.820 -0.003 0.000 2.356 483 A HA 0.545 4.865 4.320 0.000 0.000 0.310 483 A C -0.703 176.862 177.584 -0.032 0.000 1.075 483 A CA -0.574 51.444 52.037 -0.032 0.000 0.746 483 A CB 1.545 20.482 19.000 -0.105 0.000 1.221 483 A HN -0.011 nan 8.150 nan 0.000 0.443 484 I N 3.768 124.324 120.570 -0.023 0.000 2.411 484 I HA 0.322 4.492 4.170 0.000 0.000 0.284 484 I C -0.110 175.905 176.117 -0.170 0.000 1.012 484 I CA -0.720 60.514 61.300 -0.110 0.000 1.119 484 I CB 1.188 39.030 38.000 -0.264 0.000 1.261 484 I HN 0.459 nan 8.210 nan 0.000 0.448 485 V N 6.083 125.921 119.914 -0.127 0.000 2.250 485 V HA 0.421 4.541 4.120 0.000 0.000 0.268 485 V C -2.188 173.909 176.094 0.006 0.000 1.043 485 V CA -1.609 60.638 62.300 -0.089 0.000 0.814 485 V CB 1.080 32.815 31.823 -0.147 0.000 1.072 485 V HN 0.330 nan 8.190 nan 0.000 0.451 486 P HA -0.149 nan 4.420 nan 0.000 0.213 486 P C 1.936 179.248 177.300 0.021 0.000 1.170 486 P CA 2.795 65.867 63.100 -0.048 0.000 0.902 486 P CB 0.228 31.914 31.700 -0.023 0.000 0.789 487 A N -0.713 122.121 122.820 0.024 0.000 2.024 487 A HA -0.201 4.119 4.320 0.000 0.000 0.220 487 A C 2.081 179.688 177.584 0.040 0.000 1.164 487 A CA 2.515 54.567 52.037 0.025 0.000 0.643 487 A CB -1.908 17.102 19.000 0.017 0.000 0.806 487 A HN 0.386 nan 8.150 nan 0.000 0.451 488 T N -3.145 111.452 114.554 0.072 0.000 3.067 488 T HA 0.054 4.404 4.350 0.000 0.000 0.257 488 T C 1.556 176.342 174.700 0.145 0.000 1.105 488 T CA 0.900 63.066 62.100 0.110 0.000 1.104 488 T CB -0.377 68.577 68.868 0.143 0.000 0.925 488 T HN 0.096 nan 8.240 nan 0.000 0.498 489 V N 0.916 120.912 119.914 0.136 0.000 2.469 489 V HA -0.024 4.096 4.120 0.000 0.000 0.251 489 V C 1.595 177.681 176.094 -0.013 0.000 1.064 489 V CA 0.776 63.079 62.300 0.006 0.000 1.066 489 V CB -1.065 30.734 31.823 -0.040 0.000 0.667 489 V HN 0.500 nan 8.190 nan 0.000 0.461 490 M N 0.652 120.258 119.600 0.011 0.000 2.240 490 M HA 0.255 4.735 4.480 0.000 0.000 0.346 490 M C 1.024 177.326 176.300 0.004 0.000 1.236 490 M CA 0.822 56.126 55.300 0.006 0.000 0.986 490 M CB -0.500 32.106 32.600 0.009 0.000 1.786 490 M HN 0.521 nan 8.290 nan 0.000 0.457 491 A N 3.730 126.551 122.820 0.001 0.000 2.799 491 A HA -0.238 4.082 4.320 0.000 0.000 0.274 491 A C 0.533 178.114 177.584 -0.005 0.000 1.393 491 A CA 1.636 53.673 52.037 -0.000 0.000 0.909 491 A CB -2.418 16.584 19.000 0.003 0.000 1.012 491 A HN 0.910 nan 8.150 nan 0.000 0.653 492 N N -0.333 118.357 118.700 -0.016 0.000 2.351 492 N HA 0.132 4.872 4.740 0.000 0.000 0.254 492 N C -0.614 174.869 175.510 -0.046 0.000 1.241 492 N CA 0.076 53.110 53.050 -0.028 0.000 0.883 492 N CB 0.646 39.117 38.487 -0.027 0.000 1.202 492 N HN 0.624 nan 8.380 nan 0.000 0.512 493 Q N 0.708 120.489 119.800 -0.032 0.000 2.263 493 Q HA 0.257 4.597 4.340 0.000 0.000 0.262 493 Q C -0.460 175.534 176.000 -0.011 0.000 0.984 493 Q CA -0.243 55.543 55.803 -0.028 0.000 0.813 493 Q CB 2.080 30.797 28.738 -0.036 0.000 1.299 493 Q HN 0.119 nan 8.270 nan 0.000 0.428 494 T N -1.429 113.120 114.554 -0.008 0.000 2.912 494 T HA 0.364 4.714 4.350 0.000 0.000 0.280 494 T C 1.318 176.022 174.700 0.007 0.000 0.989 494 T CA -0.546 61.553 62.100 -0.001 0.000 0.995 494 T CB 1.098 69.964 68.868 -0.003 0.000 1.077 494 T HN 0.339 nan 8.240 nan 0.000 0.531 495 S N 0.287 115.992 115.700 0.009 0.000 2.370 495 S HA -0.140 4.330 4.470 0.000 0.000 0.226 495 S C 2.016 176.630 174.600 0.024 0.000 1.033 495 S CA 0.910 59.119 58.200 0.015 0.000 1.011 495 S CB -0.397 62.810 63.200 0.011 0.000 0.852 495 S HN 0.727 nan 8.310 nan 0.000 0.457 496 E N 1.162 121.373 120.200 0.019 0.000 2.097 496 E HA -0.202 4.148 4.350 0.000 0.000 0.196 496 E C 1.980 178.602 176.600 0.036 0.000 1.000 496 E CA 1.253 57.668 56.400 0.025 0.000 0.804 496 E CB -0.149 29.558 29.700 0.012 0.000 0.740 496 E HN 0.619 nan 8.360 nan 0.000 0.454 497 E N -0.414 119.801 120.200 0.025 0.000 2.047 497 E HA -0.125 4.225 4.350 0.000 0.000 0.191 497 E C 2.262 178.897 176.600 0.058 0.000 0.987 497 E CA 1.172 57.589 56.400 0.029 0.000 0.799 497 E CB 0.096 29.798 29.700 0.004 0.000 0.752 497 E HN 0.061 nan 8.360 nan 0.000 0.449 498 V N 1.704 121.645 119.914 0.046 0.000 2.252 498 V HA -0.341 3.779 4.120 0.000 0.000 0.249 498 V C 2.416 178.572 176.094 0.103 0.000 1.056 498 V CA 2.044 64.379 62.300 0.058 0.000 1.022 498 V CB -1.031 30.814 31.823 0.037 0.000 0.641 498 V HN 0.336 nan 8.190 nan 0.000 0.445 499 A N 1.032 123.910 122.820 0.096 0.000 1.917 499 A HA -0.275 4.045 4.320 0.000 0.000 0.219 499 A C 2.577 180.319 177.584 0.265 0.000 1.182 499 A CA 2.905 55.019 52.037 0.129 0.000 0.633 499 A CB -0.986 18.064 19.000 0.083 0.000 0.819 499 A HN 0.755 nan 8.150 nan 0.000 0.448 500 S N 0.490 116.339 115.700 0.249 0.000 2.368 500 S HA 0.182 4.652 4.470 0.000 0.000 0.225 500 S C 1.296 176.179 174.600 0.472 0.000 1.030 500 S CA 0.650 59.042 58.200 0.320 0.000 0.999 500 S CB -1.182 62.077 63.200 0.099 0.000 0.844 500 S HN 1.337 nan 8.310 nan 0.000 0.459 501 A N 2.181 125.201 122.820 0.332 0.000 2.587 501 A HA 0.332 4.652 4.320 0.000 0.000 0.235 501 A C 0.462 178.230 177.584 0.307 0.000 1.044 501 A CA -0.139 52.075 52.037 0.295 0.000 0.754 501 A CB -0.495 18.597 19.000 0.153 0.000 0.968 501 A HN 0.606 nan 8.150 nan 0.000 0.509 502 L N 1.880 123.169 121.223 0.109 0.000 2.483 502 L HA 0.082 4.422 4.340 0.000 0.000 0.276 502 L C 1.951 178.869 176.870 0.080 0.000 1.213 502 L CA 0.220 55.029 54.840 -0.052 0.000 0.843 502 L CB 0.191 42.091 42.059 -0.266 0.000 1.107 502 L HN 0.952 nan 8.230 nan 0.000 0.487 503 A N 2.650 125.535 122.820 0.108 0.000 1.971 503 A HA -0.259 4.061 4.320 0.000 0.000 0.222 503 A C 1.803 179.414 177.584 0.046 0.000 1.182 503 A CA 2.188 54.271 52.037 0.076 0.000 0.649 503 A CB -0.673 18.362 19.000 0.057 0.000 0.818 503 A HN 0.937 nan 8.150 nan 0.000 0.458 504 N N 0.552 119.266 118.700 0.024 0.000 2.535 504 N HA -0.058 4.682 4.740 0.000 0.000 0.203 504 N C -0.984 174.551 175.510 0.043 0.000 1.301 504 N CA 0.350 53.417 53.050 0.029 0.000 0.859 504 N CB -0.322 38.167 38.487 0.003 0.000 1.055 504 N HN 0.449 nan 8.380 nan 0.000 0.457 505 D N -0.448 119.979 120.400 0.045 0.000 2.502 505 D HA 0.254 4.894 4.640 0.000 0.000 0.249 505 D C 0.855 177.169 176.300 0.022 0.000 1.092 505 D CA -0.296 53.725 54.000 0.035 0.000 0.839 505 D CB 2.153 42.968 40.800 0.025 0.000 1.264 505 D HN 0.115 nan 8.370 nan 0.000 0.511 506 A N 4.867 127.691 122.820 0.006 0.000 1.941 506 A HA -0.313 4.007 4.320 0.000 0.000 0.233 506 A C 2.178 179.732 177.584 -0.050 0.000 1.649 506 A CA 2.423 54.433 52.037 -0.045 0.000 0.726 506 A CB -1.006 17.967 19.000 -0.046 0.000 0.843 506 A HN 0.788 nan 8.150 nan 0.000 0.511 507 I N -0.105 120.437 120.570 -0.047 0.000 2.103 507 I HA -0.324 3.846 4.170 0.000 0.000 0.241 507 I C 2.428 178.554 176.117 0.015 0.000 1.036 507 I CA 2.900 64.188 61.300 -0.019 0.000 1.300 507 I CB -2.316 35.675 38.000 -0.016 0.000 1.010 507 I HN 0.558 nan 8.210 nan 0.000 0.406 508 V N -0.379 119.550 119.914 0.025 0.000 2.667 508 V HA -0.101 4.019 4.120 0.000 0.000 0.252 508 V C 2.652 178.751 176.094 0.008 0.000 1.065 508 V CA 1.129 63.442 62.300 0.023 0.000 1.083 508 V CB -1.090 30.749 31.823 0.026 0.000 0.692 508 V HN 0.426 nan 8.190 nan 0.000 0.468 509 L N 0.211 121.463 121.223 0.050 0.000 2.046 509 L HA -0.085 4.255 4.340 0.000 0.000 0.208 509 L C 2.683 179.573 176.870 0.034 0.000 1.077 509 L CA 1.523 56.418 54.840 0.092 0.000 0.747 509 L CB -0.826 41.431 42.059 0.329 0.000 0.896 509 L HN 0.245 nan 8.230 nan 0.000 0.432 510 V N -1.270 118.758 119.914 0.191 0.000 2.261 510 V HA -0.284 3.836 4.120 0.000 0.000 0.246 510 V C 2.670 178.836 176.094 0.121 0.000 1.047 510 V CA 2.025 64.474 62.300 0.249 0.000 1.015 510 V CB -0.630 31.270 31.823 0.129 0.000 0.642 510 V HN 0.410 nan 8.190 nan 0.000 0.446 511 S N 0.361 116.099 115.700 0.064 0.000 2.374 511 S HA -0.262 4.208 4.470 0.000 0.000 0.227 511 S C 1.899 176.506 174.600 0.011 0.000 1.037 511 S CA 2.166 60.403 58.200 0.062 0.000 1.024 511 S CB -0.536 62.691 63.200 0.045 0.000 0.861 511 S HN 0.674 nan 8.310 nan 0.000 0.456 512 N N 0.568 119.207 118.700 -0.101 0.000 2.104 512 N HA -0.082 4.658 4.740 0.000 0.000 0.190 512 N C 1.442 176.871 175.510 -0.136 0.000 1.024 512 N CA 1.801 54.756 53.050 -0.159 0.000 0.853 512 N CB -0.552 37.779 38.487 -0.259 0.000 1.008 512 N HN 0.651 nan 8.380 nan 0.000 0.424 513 H N -0.110 119.021 119.070 0.101 0.000 2.321 513 H HA 0.017 4.573 4.556 0.000 0.000 0.300 513 H C 1.899 177.291 175.328 0.107 0.000 1.087 513 H CA 0.936 57.032 56.048 0.079 0.000 1.319 513 H CB -0.153 29.660 29.762 0.086 0.000 1.379 513 H HN 0.083 nan 8.280 nan 0.000 0.501 514 L N 0.562 121.918 121.223 0.223 0.000 2.129 514 L HA -0.242 4.098 4.340 0.000 0.000 0.212 514 L C 1.767 178.798 176.870 0.269 0.000 1.087 514 L CA 1.216 56.216 54.840 0.266 0.000 0.757 514 L CB -0.342 41.902 42.059 0.308 0.000 0.896 514 L HN 0.358 nan 8.230 nan 0.000 0.434 515 N N -0.168 118.619 118.700 0.146 0.000 2.188 515 N HA -0.145 4.595 4.740 0.000 0.000 0.184 515 N C 1.671 177.230 175.510 0.082 0.000 1.018 515 N CA 0.971 54.069 53.050 0.079 0.000 0.858 515 N CB -0.025 38.479 38.487 0.029 0.000 0.989 515 N HN 0.296 nan 8.380 nan 0.000 0.426 516 K N 0.260 120.719 120.400 0.098 0.000 2.057 516 K HA -0.096 4.224 4.320 0.000 0.000 0.207 516 K C 1.813 178.473 176.600 0.100 0.000 1.049 516 K CA 0.732 57.072 56.287 0.089 0.000 0.931 516 K CB -0.298 32.258 32.500 0.094 0.000 0.714 516 K HN 0.093 nan 8.250 nan 0.000 0.440 517 L N 1.542 122.848 121.223 0.138 0.000 1.989 517 L HA -0.206 4.134 4.340 0.000 0.000 0.211 517 L C 2.344 179.323 176.870 0.181 0.000 1.071 517 L CA 1.995 56.927 54.840 0.153 0.000 0.749 517 L CB -0.730 41.438 42.059 0.182 0.000 0.890 517 L HN 0.173 nan 8.230 nan 0.000 0.431 518 A N -0.523 122.432 122.820 0.225 0.000 1.917 518 A HA -0.353 3.967 4.320 0.000 0.000 0.219 518 A C 2.189 179.811 177.584 0.064 0.000 1.182 518 A CA 2.323 54.442 52.037 0.135 0.000 0.633 518 A CB -1.250 17.743 19.000 -0.012 0.000 0.819 518 A HN 0.687 nan 8.150 nan 0.000 0.448 519 N N -0.558 118.173 118.700 0.052 0.000 2.061 519 N HA -0.151 4.589 4.740 0.000 0.000 0.193 519 N C 1.511 177.045 175.510 0.039 0.000 1.030 519 N CA 1.810 54.881 53.050 0.035 0.000 0.856 519 N CB -0.243 38.263 38.487 0.032 0.000 1.023 519 N HN 0.205 nan 8.380 nan 0.000 0.424 520 V N -0.122 119.824 119.914 0.054 0.000 2.261 520 V HA -0.231 3.889 4.120 0.000 0.000 0.246 520 V C 2.194 178.320 176.094 0.053 0.000 1.047 520 V CA 1.658 63.989 62.300 0.050 0.000 1.015 520 V CB -0.571 31.286 31.823 0.056 0.000 0.642 520 V HN 0.222 nan 8.190 nan 0.000 0.446 521 V N 0.999 120.956 119.914 0.072 0.000 2.343 521 V HA -0.168 3.952 4.120 0.000 0.000 0.247 521 V C 2.635 178.763 176.094 0.058 0.000 1.051 521 V CA 2.176 64.522 62.300 0.077 0.000 1.036 521 V CB -1.704 30.187 31.823 0.114 0.000 0.654 521 V HN 0.580 nan 8.190 nan 0.000 0.451 522 G N -0.728 108.099 108.800 0.044 0.000 2.408 522 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 522 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 522 G C 1.343 176.258 174.900 0.024 0.000 1.150 522 G CA 0.888 46.005 45.100 0.029 0.000 0.776 522 G HN 0.496 nan 8.290 nan 0.000 0.542 523 D N 0.336 120.751 120.400 0.024 0.000 2.194 523 D HA 0.079 4.719 4.640 0.000 0.000 0.204 523 D C 2.612 178.926 176.300 0.022 0.000 0.964 523 D CA 1.046 55.058 54.000 0.020 0.000 0.846 523 D CB 0.262 41.073 40.800 0.018 0.000 0.962 523 D HN 0.348 nan 8.370 nan 0.000 0.490 524 A N -0.052 122.784 122.820 0.028 0.000 1.963 524 A HA 0.171 4.491 4.320 0.000 0.000 0.207 524 A C 0.932 178.536 177.584 0.033 0.000 1.243 524 A CA 0.109 52.163 52.037 0.029 0.000 0.728 524 A CB 0.418 19.436 19.000 0.029 0.000 0.895 524 A HN 0.018 nan 8.150 nan 0.000 0.467 525 I N 1.253 121.848 120.570 0.041 0.000 2.392 525 I HA 0.316 4.486 4.170 0.000 0.000 0.295 525 I C -2.216 173.928 176.117 0.045 0.000 0.985 525 I CA -2.288 59.041 61.300 0.048 0.000 1.221 525 I CB 1.811 39.847 38.000 0.060 0.000 1.366 525 I HN 0.038 nan 8.210 nan 0.000 0.467 526 P HA 0.051 nan 4.420 nan 0.000 0.231 526 P C 0.352 177.678 177.300 0.044 0.000 1.811 526 P CA -0.001 63.121 63.100 0.036 0.000 1.051 526 P CB -0.038 31.679 31.700 0.028 0.000 1.951 527 V N -1.159 118.783 119.914 0.047 0.000 3.331 527 V HA 0.473 4.593 4.120 0.000 0.000 0.332 527 V C 1.002 177.117 176.094 0.035 0.000 1.341 527 V CA -0.410 61.920 62.300 0.051 0.000 1.218 527 V CB -0.832 31.032 31.823 0.067 0.000 1.152 527 V HN 0.245 nan 8.190 nan 0.000 0.445 528 A N 0.667 123.504 122.820 0.027 0.000 2.227 528 A HA 0.421 4.741 4.320 0.000 0.000 0.279 528 A C 1.050 178.644 177.584 0.018 0.000 1.367 528 A CA 0.375 52.423 52.037 0.018 0.000 0.824 528 A CB -0.565 18.443 19.000 0.015 0.000 1.214 528 A HN 0.596 nan 8.150 nan 0.000 0.514 529 S N 1.382 117.089 115.700 0.012 0.000 2.611 529 S HA 0.223 4.693 4.470 0.000 0.000 0.317 529 S C 1.023 175.631 174.600 0.014 0.000 1.208 529 S CA 0.733 58.940 58.200 0.011 0.000 1.217 529 S CB -0.546 62.658 63.200 0.007 0.000 1.085 529 S HN 0.945 nan 8.310 nan 0.000 0.529 530 R N 0.027 120.538 120.500 0.018 0.000 4.000 530 R HA -0.213 4.127 4.340 0.000 0.000 0.348 530 R C -0.258 176.055 176.300 0.022 0.000 1.204 530 R CA 1.588 57.700 56.100 0.022 0.000 0.987 530 R CB -3.160 27.149 30.300 0.016 0.000 1.446 530 R HN 0.626 nan 8.270 nan 0.000 0.555 531 T N -0.610 113.958 114.554 0.023 0.000 2.978 531 T HA 0.240 4.590 4.350 0.000 0.000 0.278 531 T C -0.115 174.605 174.700 0.034 0.000 0.945 531 T CA -0.241 61.871 62.100 0.021 0.000 1.070 531 T CB 1.178 70.055 68.868 0.016 0.000 0.948 531 T HN 0.215 nan 8.240 nan 0.000 0.617 532 D N 2.885 123.301 120.400 0.027 0.000 2.344 532 D HA 0.243 4.883 4.640 0.000 0.000 0.253 532 D C -0.503 175.794 176.300 -0.005 0.000 1.255 532 D CA -0.099 53.925 54.000 0.041 0.000 0.894 532 D CB 0.628 41.437 40.800 0.015 0.000 1.067 532 D HN 0.688 nan 8.370 nan 0.000 0.492 533 D N 0.766 121.193 120.400 0.045 0.000 2.248 533 D HA 0.173 4.813 4.640 0.000 0.000 0.246 533 D C 1.289 177.643 176.300 0.089 0.000 1.027 533 D CA -0.521 53.494 54.000 0.026 0.000 0.853 533 D CB 1.372 42.193 40.800 0.035 0.000 1.243 533 D HN 0.172 nan 8.370 nan 0.000 0.462 534 S N 2.804 118.512 115.700 0.013 0.000 2.448 534 S HA -0.384 4.086 4.470 0.000 0.000 0.250 534 S C 2.130 176.867 174.600 0.229 0.000 1.088 534 S CA 1.519 59.782 58.200 0.104 0.000 1.058 534 S CB -0.878 62.334 63.200 0.020 0.000 0.873 534 S HN 0.603 nan 8.310 nan 0.000 0.473 535 A N 2.147 125.060 122.820 0.155 0.000 1.971 535 A HA -0.166 4.154 4.320 0.000 0.000 0.222 535 A C 2.539 180.232 177.584 0.182 0.000 1.182 535 A CA 2.615 54.739 52.037 0.146 0.000 0.649 535 A CB -2.021 17.041 19.000 0.102 0.000 0.818 535 A HN 1.083 nan 8.150 nan 0.000 0.458 536 T N -1.296 113.415 114.554 0.262 0.000 3.163 536 T HA -0.007 4.343 4.350 0.000 0.000 0.260 536 T C 1.574 176.366 174.700 0.154 0.000 1.156 536 T CA 1.246 63.489 62.100 0.239 0.000 1.072 536 T CB -0.755 68.302 68.868 0.317 0.000 0.937 536 T HN 0.710 nan 8.240 nan 0.000 0.528 537 S N 1.581 117.437 115.700 0.260 0.000 2.419 537 S HA 0.026 4.496 4.470 0.000 0.000 0.233 537 S C 2.402 176.942 174.600 -0.100 0.000 1.016 537 S CA 0.583 58.838 58.200 0.092 0.000 0.974 537 S CB -0.827 62.574 63.200 0.334 0.000 0.786 537 S HN 0.723 nan 8.310 nan 0.000 0.492 538 A N 3.554 126.356 122.820 -0.029 0.000 1.884 538 A HA -0.114 4.206 4.320 0.000 0.000 0.219 538 A C 2.341 179.868 177.584 -0.096 0.000 1.197 538 A CA 1.961 53.970 52.037 -0.046 0.000 0.637 538 A CB -1.165 17.827 19.000 -0.014 0.000 0.827 538 A HN 0.842 nan 8.150 nan 0.000 0.450 539 I N -1.885 118.613 120.570 -0.119 0.000 2.286 539 I HA -0.140 4.030 4.170 0.000 0.000 0.248 539 I C 1.940 177.924 176.117 -0.222 0.000 1.115 539 I CA 1.742 62.954 61.300 -0.146 0.000 1.392 539 I CB -0.848 37.085 38.000 -0.112 0.000 1.065 539 I HN 0.099 nan 8.210 nan 0.000 0.418 540 V N 1.382 121.070 119.914 -0.377 0.000 2.453 540 V HA -0.176 3.944 4.120 0.000 0.000 0.247 540 V C 2.726 178.625 176.094 -0.326 0.000 1.048 540 V CA 2.076 64.067 62.300 -0.514 0.000 1.049 540 V CB -0.820 30.316 31.823 -1.145 0.000 0.672 540 V HN 0.440 nan 8.190 nan 0.000 0.457 541 S N -0.194 115.370 115.700 -0.226 0.000 2.399 541 S HA -0.189 4.281 4.470 0.000 0.000 0.231 541 S C 2.142 176.703 174.600 -0.065 0.000 1.022 541 S CA 1.398 59.544 58.200 -0.090 0.000 0.983 541 S CB -0.322 62.853 63.200 -0.042 0.000 0.803 541 S HN 0.415 nan 8.310 nan 0.000 0.480 542 R N 1.435 121.887 120.500 -0.080 0.000 2.075 542 R HA 0.150 4.490 4.340 0.000 0.000 0.232 542 R C 2.062 178.326 176.300 -0.058 0.000 1.126 542 R CA 1.128 57.193 56.100 -0.059 0.000 0.963 542 R CB -0.902 29.361 30.300 -0.061 0.000 0.858 542 R HN 0.375 nan 8.270 nan 0.000 0.435 543 L N -0.459 120.708 121.223 -0.092 0.000 2.042 543 L HA -0.179 4.161 4.340 0.000 0.000 0.210 543 L C 2.338 179.179 176.870 -0.048 0.000 1.076 543 L CA 1.544 56.335 54.840 -0.082 0.000 0.749 543 L CB -0.548 41.428 42.059 -0.140 0.000 0.893 543 L HN 0.298 nan 8.230 nan 0.000 0.432 544 A N -0.568 122.202 122.820 -0.084 0.000 1.902 544 A HA -0.155 4.165 4.320 0.000 0.000 0.217 544 A C 2.192 179.783 177.584 0.011 0.000 1.181 544 A CA 1.971 53.978 52.037 -0.050 0.000 0.623 544 A CB -0.727 18.233 19.000 -0.067 0.000 0.818 544 A HN 0.268 nan 8.150 nan 0.000 0.443 545 V N -0.479 119.437 119.914 0.003 0.000 2.488 545 V HA -0.242 3.878 4.120 0.000 0.000 0.246 545 V C 2.411 178.500 176.094 -0.008 0.000 1.046 545 V CA 1.768 64.070 62.300 0.004 0.000 1.053 545 V CB -1.101 30.725 31.823 0.006 0.000 0.679 545 V HN 0.599 nan 8.190 nan 0.000 0.458 546 Q N -0.180 119.619 119.800 -0.002 0.000 2.181 546 Q HA -0.236 4.104 4.340 0.000 0.000 0.205 546 Q C 1.940 177.944 176.000 0.007 0.000 0.980 546 Q CA 1.601 57.405 55.803 0.002 0.000 0.862 546 Q CB -0.302 28.439 28.738 0.005 0.000 0.905 546 Q HN 0.690 nan 8.270 nan 0.000 0.429 547 H N 0.842 119.888 119.070 -0.040 0.000 2.611 547 H HA 0.082 4.638 4.556 0.000 0.000 0.283 547 H C -0.119 175.195 175.328 -0.024 0.000 1.075 547 H CA 0.415 56.441 56.048 -0.036 0.000 1.184 547 H CB -0.245 29.485 29.762 -0.053 0.000 1.294 547 H HN -0.177 nan 8.280 nan 0.000 0.619 548 K N 0.874 121.130 120.400 -0.239 0.000 2.751 548 K HA 0.116 4.436 4.320 0.000 0.000 0.252 548 K C -0.753 175.733 176.600 -0.190 0.000 1.277 548 K CA -0.216 55.944 56.287 -0.212 0.000 1.226 548 K CB -1.032 31.409 32.500 -0.099 0.000 1.658 548 K HN 0.174 nan 8.250 nan 0.000 0.303 549 L N 1.432 122.479 121.223 -0.292 0.000 2.384 549 L HA 0.179 4.519 4.340 0.000 0.000 0.258 549 L C 0.147 176.945 176.870 -0.120 0.000 1.266 549 L CA 0.214 54.950 54.840 -0.174 0.000 1.162 549 L CB 0.091 42.064 42.059 -0.143 0.000 1.375 549 L HN 0.238 nan 8.230 nan 0.000 0.420 550 S N 1.045 116.695 115.700 -0.084 0.000 2.489 550 S HA 0.670 5.140 4.470 0.000 0.000 0.291 550 S C 0.053 174.632 174.600 -0.035 0.000 1.151 550 S CA -0.584 57.583 58.200 -0.055 0.000 1.082 550 S CB 1.172 64.346 63.200 -0.043 0.000 1.019 550 S HN 0.546 nan 8.310 nan 0.000 0.492 551 Q N 1.333 121.118 119.800 -0.025 0.000 3.182 551 Q HA 0.553 4.893 4.340 0.000 0.000 0.212 551 Q C -0.571 175.422 176.000 -0.012 0.000 1.099 551 Q CA -0.665 55.128 55.803 -0.016 0.000 0.680 551 Q CB 0.025 28.756 28.738 -0.011 0.000 3.554 551 Q HN 0.622 nan 8.270 nan 0.000 0.361 552 V N -1.132 118.777 119.914 -0.008 0.000 2.439 552 V HA 0.846 4.966 4.120 0.000 0.000 0.282 552 V C 0.591 176.683 176.094 -0.003 0.000 1.039 552 V CA 0.417 62.713 62.300 -0.005 0.000 0.913 552 V CB 0.170 31.990 31.823 -0.004 0.000 0.983 552 V HN 0.910 nan 8.190 nan 0.000 0.460 553 G N 3.418 112.217 108.800 -0.002 0.000 2.652 553 G HA2 -0.292 3.668 3.960 0.000 0.000 0.278 553 G HA3 -0.292 3.668 3.960 0.000 0.000 0.278 553 G C 0.363 175.263 174.900 0.000 0.000 1.263 553 G CA 0.553 45.653 45.100 -0.000 0.000 0.966 553 G HN 1.344 nan 8.290 nan 0.000 0.544 554 Q N 2.300 122.101 119.800 0.002 0.000 2.452 554 Q HA 0.547 4.887 4.340 0.000 0.000 0.230 554 Q C 0.782 176.783 176.000 0.002 0.000 1.180 554 Q CA 0.478 56.283 55.803 0.004 0.000 0.914 554 Q CB -0.024 28.717 28.738 0.006 0.000 1.408 554 Q HN 1.135 nan 8.270 nan 0.000 0.520 555 A N 3.038 125.857 122.820 -0.003 0.000 2.346 555 A HA 0.086 4.406 4.320 0.000 0.000 0.255 555 A C 0.311 177.895 177.584 -0.001 0.000 1.113 555 A CA -0.029 52.002 52.037 -0.010 0.000 0.798 555 A CB 0.306 19.293 19.000 -0.022 0.000 1.073 555 A HN 0.775 nan 8.150 nan 0.000 0.502 556 S N 1.387 117.083 115.700 -0.007 0.000 3.106 556 S HA 0.130 4.600 4.470 0.000 0.000 0.363 556 S C -1.811 172.818 174.600 0.047 0.000 1.191 556 S CA -0.478 57.737 58.200 0.025 0.000 1.191 556 S CB -0.323 62.893 63.200 0.027 0.000 0.884 556 S HN 0.476 nan 8.310 nan 0.000 0.526 557 P HA 0.199 nan 4.420 nan 0.000 0.225 557 P C -0.904 176.435 177.300 0.065 0.000 1.830 557 P CA -0.502 62.629 63.100 0.052 0.000 1.051 557 P CB -0.231 31.489 31.700 0.034 0.000 1.929 558 T N 2.890 117.503 114.554 0.099 0.000 2.794 558 T HA 0.279 4.629 4.350 0.000 0.000 0.304 558 T C -2.270 172.472 174.700 0.071 0.000 0.973 558 T CA -1.613 60.550 62.100 0.104 0.000 0.972 558 T CB -0.201 68.802 68.868 0.225 0.000 0.952 558 T HN 0.159 nan 8.240 nan 0.000 0.509 559 P HA 0.130 nan 4.420 nan 0.000 0.258 559 P C -2.290 175.042 177.300 0.054 0.000 1.187 559 P CA -0.988 62.143 63.100 0.051 0.000 0.767 559 P CB -0.591 31.133 31.700 0.040 0.000 0.770 560 P HA -0.178 nan 4.420 nan 0.000 0.265 560 P C 0.244 177.501 177.300 -0.071 0.000 1.151 560 P CA 0.690 63.853 63.100 0.106 0.000 0.755 560 P CB 0.363 32.243 31.700 0.301 0.000 0.756 561 D N 1.343 121.530 120.400 -0.355 0.000 2.347 561 D HA -0.227 4.413 4.640 0.000 0.000 0.208 561 D C 1.280 177.254 176.300 -0.543 0.000 0.994 561 D CA 1.569 55.242 54.000 -0.545 0.000 0.924 561 D CB -0.623 39.827 40.800 -0.584 0.000 0.892 561 D HN 0.580 nan 8.370 nan 0.000 0.471 562 Y N -0.072 120.341 120.300 0.189 0.000 2.242 562 Y HA -0.040 4.510 4.550 0.000 0.000 0.291 562 Y C -0.377 175.732 175.900 0.349 0.000 1.137 562 Y CA 0.559 58.866 58.100 0.345 0.000 1.181 562 Y CB -1.484 37.142 38.460 0.276 0.000 0.989 562 Y HN 0.223 nan 8.280 nan 0.000 0.527 563 P HA -0.059 nan 4.420 nan 0.000 0.212 563 P C 1.596 178.977 177.300 0.136 0.000 1.171 563 P CA 1.138 64.333 63.100 0.158 0.000 0.892 563 P CB -0.035 31.720 31.700 0.092 0.000 0.769 564 L N -0.922 120.329 121.223 0.047 0.000 1.980 564 L HA -0.248 4.092 4.340 0.000 0.000 0.232 564 L C 2.695 179.549 176.870 -0.028 0.000 1.092 564 L CA 1.765 56.600 54.840 -0.009 0.000 0.808 564 L CB -1.673 40.352 42.059 -0.056 0.000 0.908 564 L HN -0.091 nan 8.230 nan 0.000 0.442 565 L N -1.756 119.414 121.223 -0.088 0.000 2.141 565 L HA -0.191 4.149 4.340 0.000 0.000 0.209 565 L C 2.273 179.073 176.870 -0.117 0.000 1.094 565 L CA 1.397 56.154 54.840 -0.137 0.000 0.763 565 L CB -0.761 41.170 42.059 -0.213 0.000 0.908 565 L HN 0.375 nan 8.230 nan 0.000 0.437 566 W N 1.209 122.461 121.300 -0.080 0.000 2.335 566 W HA -0.212 4.448 4.660 0.000 0.000 0.311 566 W C 2.696 179.205 176.519 -0.016 0.000 1.213 566 W CA 1.727 59.054 57.345 -0.030 0.000 1.274 566 W CB -0.379 29.080 29.460 -0.001 0.000 1.148 566 W HN 0.153 nan 8.180 nan 0.000 0.498 567 R N -0.479 120.155 120.500 0.223 0.000 2.073 567 R HA -0.108 4.232 4.340 0.000 0.000 0.229 567 R C 2.281 178.624 176.300 0.071 0.000 1.120 567 R CA 1.534 57.721 56.100 0.145 0.000 0.967 567 R CB -0.551 29.809 30.300 0.099 0.000 0.862 567 R HN 0.088 nan 8.270 nan 0.000 0.436 568 R N 0.742 121.257 120.500 0.024 0.000 2.091 568 R HA -0.119 4.221 4.340 0.000 0.000 0.238 568 R C 2.315 178.608 176.300 -0.012 0.000 1.136 568 R CA 1.672 57.767 56.100 -0.008 0.000 0.959 568 R CB -0.477 29.798 30.300 -0.043 0.000 0.856 568 R HN 0.221 nan 8.270 nan 0.000 0.437 569 A N 1.167 123.965 122.820 -0.036 0.000 1.929 569 A HA -0.156 4.164 4.320 0.000 0.000 0.216 569 A C 2.060 179.646 177.584 0.004 0.000 1.176 569 A CA 1.401 53.403 52.037 -0.058 0.000 0.628 569 A CB -0.266 18.632 19.000 -0.169 0.000 0.816 569 A HN 0.159 nan 8.150 nan 0.000 0.444 570 K N 0.214 120.652 120.400 0.064 0.000 2.032 570 K HA -0.138 4.182 4.320 0.000 0.000 0.209 570 K C 2.101 178.742 176.600 0.069 0.000 1.048 570 K CA 1.753 58.097 56.287 0.096 0.000 0.927 570 K CB -0.316 32.268 32.500 0.140 0.000 0.712 570 K HN 0.422 nan 8.250 nan 0.000 0.441 571 R N -0.299 120.234 120.500 0.054 0.000 2.112 571 R HA -0.202 4.138 4.340 0.000 0.000 0.242 571 R C 2.361 178.685 176.300 0.040 0.000 1.137 571 R CA 1.883 58.007 56.100 0.040 0.000 0.944 571 R CB -0.671 29.646 30.300 0.027 0.000 0.857 571 R HN 0.369 nan 8.270 nan 0.000 0.435 572 A N 0.673 123.517 122.820 0.039 0.000 1.969 572 A HA -0.023 4.297 4.320 0.000 0.000 0.218 572 A C 2.335 179.979 177.584 0.099 0.000 1.169 572 A CA 1.376 53.446 52.037 0.054 0.000 0.635 572 A CB -0.584 18.436 19.000 0.032 0.000 0.810 572 A HN 0.428 nan 8.150 nan 0.000 0.445 573 A N -0.545 122.333 122.820 0.097 0.000 1.892 573 A HA -0.192 4.128 4.320 0.000 0.000 0.218 573 A C 2.481 180.157 177.584 0.153 0.000 1.188 573 A CA 2.337 54.466 52.037 0.154 0.000 0.631 573 A CB -1.119 17.951 19.000 0.117 0.000 0.822 573 A HN 0.515 nan 8.150 nan 0.000 0.447 574 S N -1.362 114.389 115.700 0.085 0.000 2.353 574 S HA -0.214 4.256 4.470 0.000 0.000 0.222 574 S C 2.039 176.644 174.600 0.008 0.000 1.035 574 S CA 2.124 60.348 58.200 0.040 0.000 1.025 574 S CB -0.385 62.836 63.200 0.035 0.000 0.902 574 S HN 0.402 nan 8.310 nan 0.000 0.440 575 M N 0.582 120.198 119.600 0.026 0.000 2.082 575 M HA -0.017 4.463 4.480 0.000 0.000 0.258 575 M C 1.733 178.026 176.300 -0.013 0.000 1.069 575 M CA 1.374 56.681 55.300 0.012 0.000 1.102 575 M CB -1.136 31.487 32.600 0.039 0.000 1.336 575 M HN 0.483 nan 8.290 nan 0.000 0.404 576 F N 0.224 120.179 119.950 0.008 0.000 2.091 576 F HA -0.207 4.320 4.527 0.000 0.000 0.299 576 F C 2.085 177.893 175.800 0.013 0.000 1.103 576 F CA 1.507 59.513 58.000 0.010 0.000 1.228 576 F CB -0.730 38.277 39.000 0.011 0.000 0.984 576 F HN -0.046 nan 8.300 nan 0.000 0.477 577 V N 0.516 120.120 119.914 -0.518 0.000 2.287 577 V HA -0.329 3.791 4.120 0.000 0.000 0.248 577 V C 2.712 178.625 176.094 -0.302 0.000 1.053 577 V CA 2.155 64.208 62.300 -0.412 0.000 1.027 577 V CB -1.512 30.234 31.823 -0.128 0.000 0.646 577 V HN 0.579 nan 8.190 nan 0.000 0.447 578 S N -0.133 115.451 115.700 -0.193 0.000 2.400 578 S HA -0.163 4.307 4.470 0.000 0.000 0.232 578 S C 1.047 175.565 174.600 -0.137 0.000 1.025 578 S CA 1.575 59.697 58.200 -0.132 0.000 0.993 578 S CB -0.293 62.862 63.200 -0.076 0.000 0.808 578 S HN 0.615 nan 8.310 nan 0.000 0.478 579 N N 0.616 119.206 118.700 -0.183 0.000 2.629 579 N HA 0.350 5.090 4.740 0.000 0.000 0.277 579 N C -2.882 172.496 175.510 -0.220 0.000 1.188 579 N CA -1.666 51.288 53.050 -0.161 0.000 0.835 579 N CB 1.782 40.221 38.487 -0.079 0.000 1.420 579 N HN -0.162 nan 8.380 nan 0.000 0.542 580 P HA -0.171 nan 4.420 nan 0.000 0.217 580 P C 1.398 178.760 177.300 0.103 0.000 1.151 580 P CA 1.538 64.522 63.100 -0.194 0.000 0.849 580 P CB 0.253 31.900 31.700 -0.088 0.000 0.787 581 S N -0.612 115.113 115.700 0.042 0.000 2.419 581 S HA -0.178 4.293 4.470 0.000 0.000 0.235 581 S C 1.882 176.530 174.600 0.079 0.000 1.019 581 S CA 1.109 59.348 58.200 0.065 0.000 0.982 581 S CB -1.808 61.410 63.200 0.031 0.000 0.789 581 S HN 0.101 nan 8.310 nan 0.000 0.490 582 L N 1.308 122.577 121.223 0.077 0.000 2.197 582 L HA -0.185 4.155 4.340 0.000 0.000 0.215 582 L C 3.055 179.994 176.870 0.115 0.000 1.095 582 L CA 1.126 56.018 54.840 0.086 0.000 0.764 582 L CB -0.901 41.203 42.059 0.076 0.000 0.897 582 L HN 0.508 nan 8.230 nan 0.000 0.436 583 A N -0.081 122.848 122.820 0.182 0.000 1.972 583 A HA -0.127 4.193 4.320 0.000 0.000 0.219 583 A C 2.137 179.762 177.584 0.067 0.000 1.169 583 A CA 1.486 53.605 52.037 0.136 0.000 0.635 583 A CB -0.457 18.632 19.000 0.148 0.000 0.810 583 A HN 0.450 nan 8.150 nan 0.000 0.446 584 L N -1.194 120.069 121.223 0.067 0.000 2.529 584 L HA 0.089 4.429 4.340 0.000 0.000 0.223 584 L C 0.576 177.459 176.870 0.021 0.000 1.113 584 L CA 0.031 54.891 54.840 0.034 0.000 0.861 584 L CB -0.014 42.062 42.059 0.028 0.000 1.012 584 L HN 0.330 nan 8.230 nan 0.000 0.461 585 Q N 0.712 120.531 119.800 0.032 0.000 2.322 585 Q HA 0.276 4.616 4.340 0.000 0.000 0.256 585 Q C -0.279 175.732 176.000 0.018 0.000 0.960 585 Q CA -0.330 55.486 55.803 0.022 0.000 0.934 585 Q CB 2.612 31.363 28.738 0.023 0.000 1.200 585 Q HN -0.001 nan 8.270 nan 0.000 0.435 586 V N 2.749 122.668 119.914 0.009 0.000 3.237 586 V HA 0.216 4.336 4.120 0.000 0.000 0.305 586 V C 0.806 176.903 176.094 0.006 0.000 1.096 586 V CA 0.416 62.719 62.300 0.005 0.000 1.130 586 V CB 0.750 32.573 31.823 -0.000 0.000 1.048 586 V HN 0.980 nan 8.190 nan 0.000 0.484 587 G N 5.993 114.796 108.800 0.004 0.000 2.904 587 G HA2 -0.108 3.852 3.960 0.000 0.000 0.316 587 G HA3 -0.108 3.852 3.960 0.000 0.000 0.316 587 G C -0.283 174.622 174.900 0.008 0.000 0.294 587 G CA 0.224 45.327 45.100 0.005 0.000 1.212 587 G HN 0.544 nan 8.290 nan 0.000 0.207 588 I N 5.125 125.702 120.570 0.012 0.000 2.390 588 I HA 0.173 4.343 4.170 0.000 0.000 0.283 588 I C -1.192 174.932 176.117 0.011 0.000 1.016 588 I CA -2.249 59.061 61.300 0.017 0.000 1.151 588 I CB 1.430 39.448 38.000 0.030 0.000 1.293 588 I HN 0.196 nan 8.210 nan 0.000 0.458 589 P HA -0.247 nan 4.420 nan 0.000 0.212 589 P C 1.568 178.866 177.300 -0.004 0.000 1.128 589 P CA 1.933 65.033 63.100 -0.000 0.000 0.961 589 P CB 0.259 31.957 31.700 -0.004 0.000 0.782 590 V N -5.110 114.801 119.914 -0.006 0.000 3.523 590 V HA 0.135 4.255 4.120 0.000 0.000 0.255 590 V C 2.066 178.151 176.094 -0.015 0.000 1.226 590 V CA 0.556 62.847 62.300 -0.015 0.000 1.092 590 V CB -1.239 30.567 31.823 -0.029 0.000 0.817 590 V HN -0.028 nan 8.190 nan 0.000 0.458 591 L N 2.048 123.269 121.223 -0.004 0.000 2.201 591 L HA -0.078 4.262 4.340 0.000 0.000 0.212 591 L C 2.929 179.793 176.870 -0.010 0.000 1.105 591 L CA 1.843 56.678 54.840 -0.008 0.000 0.775 591 L CB -1.156 40.914 42.059 0.019 0.000 0.913 591 L HN 0.585 nan 8.230 nan 0.000 0.440 592 T N -3.091 111.463 114.554 -0.001 0.000 2.795 592 T HA -0.305 4.045 4.350 0.000 0.000 0.266 592 T C 1.268 175.964 174.700 -0.008 0.000 1.056 592 T CA 0.994 63.094 62.100 -0.001 0.000 1.141 592 T CB -0.371 68.498 68.868 0.001 0.000 0.840 592 T HN 0.163 nan 8.240 nan 0.000 0.493 593 Q N 2.188 121.979 119.800 -0.014 0.000 2.423 593 Q HA 0.257 4.597 4.340 0.000 0.000 0.235 593 Q C 1.431 177.413 176.000 -0.029 0.000 1.100 593 Q CA 0.202 55.994 55.803 -0.019 0.000 0.908 593 Q CB 1.052 29.779 28.738 -0.018 0.000 1.312 593 Q HN 0.666 nan 8.270 nan 0.000 0.497 594 S N 1.615 117.301 115.700 -0.023 0.000 2.420 594 S HA -0.196 4.274 4.470 0.000 0.000 0.237 594 S C 1.687 176.267 174.600 -0.034 0.000 1.023 594 S CA 1.250 59.433 58.200 -0.028 0.000 0.991 594 S CB -0.314 62.878 63.200 -0.013 0.000 0.792 594 S HN 0.696 nan 8.310 nan 0.000 0.488 595 G N 2.075 110.857 108.800 -0.029 0.000 2.491 595 G HA2 -0.228 3.732 3.960 0.000 0.000 0.218 595 G HA3 -0.228 3.732 3.960 0.000 0.000 0.218 595 G C 1.501 176.374 174.900 -0.044 0.000 1.180 595 G CA 1.282 46.364 45.100 -0.031 0.000 0.774 595 G HN 0.580 nan 8.290 nan 0.000 0.562 596 M N -0.540 119.029 119.600 -0.052 0.000 2.279 596 M HA 0.054 4.534 4.480 0.000 0.000 0.264 596 M C 2.411 178.654 176.300 -0.094 0.000 1.062 596 M CA 0.715 55.974 55.300 -0.070 0.000 1.099 596 M CB -0.203 32.355 32.600 -0.069 0.000 1.394 596 M HN 0.214 nan 8.290 nan 0.000 0.426 597 L N -0.327 120.836 121.223 -0.100 0.000 2.162 597 L HA -0.018 4.322 4.340 0.000 0.000 0.205 597 L C 2.470 179.277 176.870 -0.106 0.000 1.086 597 L CA 1.462 56.214 54.840 -0.147 0.000 0.778 597 L CB -0.353 41.609 42.059 -0.163 0.000 0.928 597 L HN 0.133 nan 8.230 nan 0.000 0.446 598 S N -0.053 115.609 115.700 -0.063 0.000 2.370 598 S HA -0.233 4.237 4.470 0.000 0.000 0.226 598 S C 2.144 176.721 174.600 -0.037 0.000 1.033 598 S CA 1.200 59.377 58.200 -0.038 0.000 1.011 598 S CB -0.738 62.448 63.200 -0.023 0.000 0.852 598 S HN 0.576 nan 8.310 nan 0.000 0.457 599 A N 1.347 124.141 122.820 -0.043 0.000 1.940 599 A HA -0.040 4.280 4.320 0.000 0.000 0.219 599 A C 2.148 179.709 177.584 -0.039 0.000 1.176 599 A CA 1.295 53.309 52.037 -0.039 0.000 0.631 599 A CB -0.713 18.259 19.000 -0.046 0.000 0.814 599 A HN 0.465 nan 8.150 nan 0.000 0.446 600 L N -0.845 120.343 121.223 -0.060 0.000 2.005 600 L HA -0.141 4.199 4.340 0.000 0.000 0.207 600 L C 2.733 179.582 176.870 -0.035 0.000 1.072 600 L CA 2.055 56.862 54.840 -0.055 0.000 0.744 600 L CB -0.611 41.386 42.059 -0.104 0.000 0.895 600 L HN 0.421 nan 8.230 nan 0.000 0.433 601 T N -0.259 114.266 114.554 -0.049 0.000 2.597 601 T HA -0.251 4.099 4.350 0.000 0.000 0.267 601 T C 2.003 176.701 174.700 -0.005 0.000 1.053 601 T CA 2.097 64.183 62.100 -0.024 0.000 1.165 601 T CB -0.537 68.314 68.868 -0.028 0.000 0.863 601 T HN 0.653 nan 8.240 nan 0.000 0.427 602 S N 1.561 117.257 115.700 -0.007 0.000 2.343 602 S HA -0.051 4.419 4.470 0.000 0.000 0.219 602 S C 2.454 177.057 174.600 0.005 0.000 1.033 602 S CA 1.353 59.553 58.200 -0.001 0.000 1.014 602 S CB -1.532 61.666 63.200 -0.002 0.000 0.915 602 S HN 0.569 nan 8.310 nan 0.000 0.435 603 G N 1.594 110.396 108.800 0.003 0.000 2.606 603 G HA2 -0.284 3.676 3.960 0.000 0.000 0.221 603 G HA3 -0.284 3.676 3.960 0.000 0.000 0.221 603 G C 1.511 176.424 174.900 0.022 0.000 1.152 603 G CA 1.287 46.394 45.100 0.012 0.000 0.765 603 G HN 0.511 nan 8.290 nan 0.000 0.595 604 V N 1.407 121.335 119.914 0.023 0.000 2.324 604 V HA -0.104 4.016 4.120 0.000 0.000 0.250 604 V C 3.000 179.111 176.094 0.028 0.000 1.060 604 V CA 2.835 65.154 62.300 0.032 0.000 1.042 604 V CB -0.899 30.947 31.823 0.038 0.000 0.650 604 V HN 0.460 nan 8.190 nan 0.000 0.450 605 G N -0.727 108.085 108.800 0.021 0.000 2.421 605 G HA2 -0.320 3.640 3.960 0.000 0.000 0.216 605 G HA3 -0.320 3.640 3.960 0.000 0.000 0.216 605 G C 1.724 176.635 174.900 0.017 0.000 1.171 605 G CA 1.789 46.899 45.100 0.018 0.000 0.775 605 G HN 0.611 nan 8.290 nan 0.000 0.543 606 T N 0.249 114.814 114.554 0.018 0.000 2.665 606 T HA -0.083 4.267 4.350 0.000 0.000 0.268 606 T C 2.572 177.286 174.700 0.024 0.000 1.035 606 T CA 2.171 64.283 62.100 0.020 0.000 1.151 606 T CB -0.678 68.202 68.868 0.020 0.000 0.862 606 T HN 0.446 nan 8.240 nan 0.000 0.438 607 A N 1.515 124.353 122.820 0.030 0.000 1.940 607 A HA 0.085 4.405 4.320 0.000 0.000 0.219 607 A C 2.458 180.060 177.584 0.031 0.000 1.176 607 A CA 1.566 53.624 52.037 0.036 0.000 0.631 607 A CB -0.892 18.135 19.000 0.045 0.000 0.814 607 A HN 0.574 nan 8.150 nan 0.000 0.446 608 L N -1.606 119.633 121.223 0.026 0.000 2.007 608 L HA -0.125 4.215 4.340 0.000 0.000 0.205 608 L C 2.655 179.535 176.870 0.017 0.000 1.073 608 L CA 1.537 56.390 54.840 0.022 0.000 0.744 608 L CB -0.583 41.487 42.059 0.020 0.000 0.898 608 L HN 0.426 nan 8.230 nan 0.000 0.435 609 R N 0.060 120.569 120.500 0.015 0.000 2.206 609 R HA -0.257 4.083 4.340 0.000 0.000 0.240 609 R C 1.527 177.835 176.300 0.012 0.000 1.117 609 R CA 2.691 58.798 56.100 0.012 0.000 0.915 609 R CB -0.513 29.794 30.300 0.012 0.000 0.888 609 R HN 0.506 nan 8.270 nan 0.000 0.432 610 T N -2.651 111.912 114.554 0.015 0.000 3.215 610 T HA 0.340 4.690 4.350 0.000 0.000 0.271 610 T C 0.340 175.050 174.700 0.018 0.000 1.012 610 T CA -0.115 61.994 62.100 0.015 0.000 0.899 610 T CB 0.973 69.850 68.868 0.015 0.000 1.089 610 T HN 0.356 nan 8.240 nan 0.000 0.552 611 G N 1.644 110.455 108.800 0.019 0.000 2.378 611 G HA2 0.407 4.367 3.960 0.000 0.000 0.255 611 G HA3 0.407 4.367 3.960 0.000 0.000 0.255 611 G C 0.257 175.167 174.900 0.017 0.000 1.270 611 G CA -0.587 44.526 45.100 0.021 0.000 0.876 611 G HN 0.510 nan 8.290 nan 0.000 0.521 612 S N 3.322 119.033 115.700 0.017 0.000 3.483 612 S HA 0.247 4.717 4.470 0.000 0.000 0.274 612 S C 0.586 175.195 174.600 0.015 0.000 1.289 612 S CA -0.744 57.465 58.200 0.015 0.000 0.938 612 S CB -0.397 62.810 63.200 0.013 0.000 1.453 612 S HN 0.716 nan 8.310 nan 0.000 0.494 613 L N 1.544 122.775 121.223 0.015 0.000 3.893 613 L HA -0.175 4.165 4.340 0.000 0.000 0.510 613 L C 1.124 178.003 176.870 0.015 0.000 0.996 613 L CA 0.376 55.225 54.840 0.015 0.000 0.832 613 L CB -1.922 40.145 42.059 0.014 0.000 0.929 613 L HN 0.780 nan 8.230 nan 0.000 0.765 614 G N 2.775 111.585 108.800 0.017 0.000 2.305 614 G HA2 0.212 4.172 3.960 0.000 0.000 0.281 614 G HA3 0.212 4.172 3.960 0.000 0.000 0.281 614 G C 0.312 175.221 174.900 0.015 0.000 1.085 614 G CA -0.232 44.878 45.100 0.017 0.000 1.211 614 G HN 0.507 nan 8.290 nan 0.000 0.421 615 K N 2.748 123.156 120.400 0.013 0.000 2.530 615 K HA 0.435 4.755 4.320 0.000 0.000 0.230 615 K C 0.725 177.331 176.600 0.009 0.000 1.002 615 K CA -0.520 55.774 56.287 0.012 0.000 1.014 615 K CB 0.719 33.226 32.500 0.012 0.000 1.286 615 K HN 0.402 nan 8.250 nan 0.000 0.480 616 G N 2.677 111.483 108.800 0.010 0.000 2.101 616 G HA2 -0.100 3.860 3.960 0.000 0.000 0.262 616 G HA3 -0.100 3.860 3.960 0.000 0.000 0.262 616 G C 1.204 176.107 174.900 0.005 0.000 1.041 616 G CA 0.142 45.247 45.100 0.008 0.000 1.002 616 G HN 0.538 nan 8.290 nan 0.000 0.403 617 V N 3.388 123.303 119.914 0.003 0.000 2.277 617 V HA -0.313 3.807 4.120 0.000 0.000 0.253 617 V C 3.198 179.292 176.094 0.001 0.000 1.067 617 V CA 3.626 65.926 62.300 0.001 0.000 1.047 617 V CB -0.817 31.005 31.823 -0.002 0.000 0.649 617 V HN 1.040 nan 8.190 nan 0.000 0.447 618 T N -1.768 112.787 114.554 0.001 0.000 2.570 618 T HA -0.339 4.011 4.350 0.000 0.000 0.266 618 T C 1.686 176.387 174.700 0.002 0.000 1.071 618 T CA 2.113 64.213 62.100 0.001 0.000 1.172 618 T CB -0.950 67.919 68.868 0.001 0.000 0.864 618 T HN 0.579 nan 8.240 nan 0.000 0.421 619 D N 1.832 122.234 120.400 0.003 0.000 2.178 619 D HA 0.012 4.652 4.640 0.000 0.000 0.201 619 D C 2.294 178.596 176.300 0.003 0.000 0.980 619 D CA 1.295 55.297 54.000 0.003 0.000 0.842 619 D CB -0.626 40.177 40.800 0.005 0.000 0.948 619 D HN 0.551 nan 8.370 nan 0.000 0.472 620 A N 0.226 123.049 122.820 0.004 0.000 1.841 620 A HA -0.202 4.118 4.320 0.000 0.000 0.216 620 A C 2.395 179.981 177.584 0.003 0.000 1.199 620 A CA 2.990 55.029 52.037 0.004 0.000 0.621 620 A CB -1.312 17.691 19.000 0.005 0.000 0.835 620 A HN 0.386 nan 8.150 nan 0.000 0.445 621 S N 0.167 115.868 115.700 0.002 0.000 2.380 621 S HA -0.285 4.185 4.470 0.000 0.000 0.229 621 S C 1.642 176.242 174.600 0.000 0.000 1.043 621 S CA 1.935 60.135 58.200 0.001 0.000 1.038 621 S CB -0.582 62.618 63.200 -0.000 0.000 0.872 621 S HN 0.563 nan 8.310 nan 0.000 0.456 622 E N 1.380 121.580 120.200 0.000 0.000 2.106 622 E HA 0.012 4.362 4.350 0.000 0.000 0.192 622 E C 2.110 178.710 176.600 -0.001 0.000 0.984 622 E CA 1.081 57.480 56.400 -0.001 0.000 0.806 622 E CB -0.224 29.475 29.700 -0.001 0.000 0.750 622 E HN 0.663 nan 8.360 nan 0.000 0.458 623 K N 0.311 120.712 120.400 0.000 0.000 2.057 623 K HA -0.132 4.188 4.320 0.000 0.000 0.206 623 K C 2.134 178.734 176.600 0.000 0.000 1.050 623 K CA 0.867 57.154 56.287 0.000 0.000 0.935 623 K CB -0.191 32.311 32.500 0.002 0.000 0.715 623 K HN 0.108 nan 8.250 nan 0.000 0.439 624 L N 1.937 123.160 121.223 0.001 0.000 2.021 624 L HA -0.260 4.080 4.340 0.000 0.000 0.215 624 L C 2.524 179.394 176.870 -0.000 0.000 1.074 624 L CA 1.855 56.696 54.840 0.001 0.000 0.760 624 L CB -0.574 41.486 42.059 0.001 0.000 0.889 624 L HN 0.160 nan 8.230 nan 0.000 0.433 625 R N -0.231 120.269 120.500 -0.001 0.000 2.070 625 R HA -0.149 4.191 4.340 0.000 0.000 0.232 625 R C 2.169 178.466 176.300 -0.004 0.000 1.138 625 R CA 1.657 57.756 56.100 -0.002 0.000 0.936 625 R CB -0.770 29.528 30.300 -0.002 0.000 0.839 625 R HN 0.554 nan 8.270 nan 0.000 0.429 626 A N 1.473 124.290 122.820 -0.005 0.000 1.948 626 A HA -0.193 4.127 4.320 0.000 0.000 0.220 626 A C 2.287 179.866 177.584 -0.009 0.000 1.177 626 A CA 1.642 53.674 52.037 -0.008 0.000 0.636 626 A CB -0.496 18.499 19.000 -0.008 0.000 0.815 626 A HN 0.414 nan 8.150 nan 0.000 0.449 627 R N -0.904 119.593 120.500 -0.005 0.000 2.096 627 R HA -0.148 4.192 4.340 0.000 0.000 0.235 627 R C 2.478 178.777 176.300 -0.002 0.000 1.127 627 R CA 1.631 57.729 56.100 -0.004 0.000 0.968 627 R CB -0.304 29.995 30.300 -0.001 0.000 0.861 627 R HN 0.698 nan 8.270 nan 0.000 0.440 628 Q N 0.116 119.916 119.800 -0.001 0.000 2.016 628 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 628 Q C 2.319 178.318 176.000 -0.002 0.000 0.978 628 Q CA 1.998 57.802 55.803 0.001 0.000 0.833 628 Q CB 0.008 28.747 28.738 0.002 0.000 0.895 628 Q HN 0.380 nan 8.270 nan 0.000 0.427 629 S N 0.736 116.432 115.700 -0.006 0.000 2.400 629 S HA -0.201 4.269 4.470 0.000 0.000 0.232 629 S C 1.902 176.489 174.600 -0.021 0.000 1.025 629 S CA 1.042 59.234 58.200 -0.012 0.000 0.993 629 S CB -0.495 62.697 63.200 -0.013 0.000 0.808 629 S HN 0.294 nan 8.310 nan 0.000 0.478 630 L N 1.968 123.179 121.223 -0.021 0.000 1.989 630 L HA -0.114 4.226 4.340 0.000 0.000 0.211 630 L C 2.689 179.540 176.870 -0.032 0.000 1.071 630 L CA 2.236 57.058 54.840 -0.031 0.000 0.749 630 L CB -1.171 40.873 42.059 -0.026 0.000 0.890 630 L HN 0.324 nan 8.230 nan 0.000 0.431 631 T N -1.021 113.529 114.554 -0.007 0.000 2.635 631 T HA -0.240 4.110 4.350 0.000 0.000 0.267 631 T C 1.896 176.593 174.700 -0.004 0.000 1.040 631 T CA 1.887 63.996 62.100 0.015 0.000 1.156 631 T CB -0.646 68.241 68.868 0.032 0.000 0.863 631 T HN 0.208 nan 8.240 nan 0.000 0.430 632 V N 2.147 122.056 119.914 -0.008 0.000 2.231 632 V HA -0.286 3.834 4.120 0.000 0.000 0.250 632 V C 2.947 179.013 176.094 -0.047 0.000 1.058 632 V CA 2.038 64.329 62.300 -0.015 0.000 1.022 632 V CB -1.450 30.369 31.823 -0.007 0.000 0.640 632 V HN 0.601 nan 8.190 nan 0.000 0.445 633 A N -0.907 121.878 122.820 -0.060 0.000 1.940 633 A HA -0.237 4.083 4.320 0.000 0.000 0.219 633 A C 2.319 179.814 177.584 -0.148 0.000 1.176 633 A CA 1.966 53.954 52.037 -0.082 0.000 0.631 633 A CB -0.476 18.475 19.000 -0.080 0.000 0.814 633 A HN 0.539 nan 8.150 nan 0.000 0.446 634 K N -0.795 119.480 120.400 -0.207 0.000 2.032 634 K HA -0.177 4.143 4.320 0.000 0.000 0.209 634 K C 2.314 178.227 176.600 -1.146 0.000 1.048 634 K CA 1.426 57.437 56.287 -0.461 0.000 0.927 634 K CB -0.247 32.109 32.500 -0.240 0.000 0.712 634 K HN 0.460 nan 8.250 nan 0.000 0.441 635 Q N 0.144 119.636 119.800 -0.513 0.000 2.029 635 Q HA -0.211 4.129 4.340 0.000 0.000 0.209 635 Q C 2.173 178.084 176.000 -0.148 0.000 0.999 635 Q CA 2.023 57.715 55.803 -0.186 0.000 0.857 635 Q CB -0.585 28.191 28.738 0.064 0.000 0.926 635 Q HN 0.358 nan 8.270 nan 0.000 0.415 636 A N 0.457 123.215 122.820 -0.104 0.000 1.948 636 A HA -0.209 4.111 4.320 0.000 0.000 0.220 636 A C 1.930 179.508 177.584 -0.009 0.000 1.177 636 A CA 1.609 53.624 52.037 -0.035 0.000 0.636 636 A CB -0.887 18.105 19.000 -0.014 0.000 0.815 636 A HN 0.420 nan 8.150 nan 0.000 0.449 637 F N 0.285 120.078 119.950 -0.262 0.000 2.069 637 F HA -0.166 4.361 4.527 0.000 0.000 0.298 637 F C 1.834 177.595 175.800 -0.066 0.000 1.113 637 F CA 1.483 59.361 58.000 -0.203 0.000 1.214 637 F CB -0.656 38.159 39.000 -0.310 0.000 0.978 637 F HN 0.206 nan 8.300 nan 0.000 0.474 638 F N 1.449 121.243 119.950 -0.259 0.000 2.126 638 F HA -0.187 4.340 4.527 0.000 0.000 0.299 638 F C 2.393 178.075 175.800 -0.197 0.000 1.096 638 F CA 1.362 59.136 58.000 -0.376 0.000 1.255 638 F CB -1.693 37.204 39.000 -0.171 0.000 0.997 638 F HN 0.041 nan 8.300 nan 0.000 0.479 639 D N -0.041 120.408 120.400 0.082 0.000 2.116 639 D HA -0.214 4.426 4.640 0.000 0.000 0.193 639 D C 2.337 178.667 176.300 0.050 0.000 0.998 639 D CA 1.435 55.472 54.000 0.062 0.000 0.836 639 D CB -0.666 40.167 40.800 0.055 0.000 0.951 639 D HN 0.293 nan 8.370 nan 0.000 0.449 640 Q N 0.733 120.558 119.800 0.042 0.000 2.061 640 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 640 Q C 2.369 178.435 176.000 0.109 0.000 0.984 640 Q CA 1.113 56.958 55.803 0.071 0.000 0.846 640 Q CB -0.454 28.333 28.738 0.082 0.000 0.902 640 Q HN 0.362 nan 8.270 nan 0.000 0.421 641 I N 0.821 121.418 120.570 0.045 0.000 2.226 641 I HA -0.217 3.953 4.170 0.000 0.000 0.245 641 I C 2.502 178.778 176.117 0.264 0.000 1.100 641 I CA 1.230 62.622 61.300 0.153 0.000 1.374 641 I CB -0.758 37.139 38.000 -0.171 0.000 1.057 641 I HN 0.336 nan 8.210 nan 0.000 0.413 642 G N 0.505 109.364 108.800 0.097 0.000 2.469 642 G HA2 -0.349 3.611 3.960 0.000 0.000 0.219 642 G HA3 -0.349 3.611 3.960 0.000 0.000 0.219 642 G C 1.808 176.750 174.900 0.071 0.000 1.150 642 G CA 1.340 46.473 45.100 0.055 0.000 0.763 642 G HN 0.520 nan 8.290 nan 0.000 0.561 643 S N 0.315 116.069 115.700 0.090 0.000 2.356 643 S HA 0.009 4.479 4.470 0.000 0.000 0.223 643 S C 2.362 177.015 174.600 0.089 0.000 1.032 643 S CA 1.329 59.579 58.200 0.082 0.000 1.005 643 S CB -0.380 62.862 63.200 0.071 0.000 0.867 643 S HN 0.276 nan 8.310 nan 0.000 0.449 644 L N -1.199 120.108 121.223 0.139 0.000 2.209 644 L HA 0.303 4.643 4.340 0.000 0.000 0.207 644 L C 1.076 177.847 176.870 -0.165 0.000 1.094 644 L CA 0.437 55.324 54.840 0.078 0.000 0.790 644 L CB 0.076 42.291 42.059 0.259 0.000 0.932 644 L HN 0.593 nan 8.230 nan 0.000 0.447 645 W N 2.437 123.396 121.300 -0.568 0.000 2.409 645 W HA 0.260 4.920 4.660 0.000 0.000 0.285 645 W C -2.551 173.816 176.519 -0.253 0.000 1.030 645 W CA -2.086 54.861 57.345 -0.663 0.000 1.330 645 W CB 1.521 30.210 29.460 -1.285 0.000 1.236 645 W HN -0.232 nan 8.180 nan 0.000 0.341 646 P HA 0.038 nan 4.420 nan 0.000 0.252 646 P C 0.826 177.686 177.300 -0.732 0.000 1.694 646 P CA 0.522 63.524 63.100 -0.162 0.000 1.163 646 P CB -0.253 31.443 31.700 -0.007 0.000 1.934 647 G N 5.065 113.101 108.800 -1.273 0.000 2.209 647 G HA2 0.060 4.020 3.960 0.000 0.000 0.271 647 G HA3 0.060 4.020 3.960 0.000 0.000 0.271 647 G C 0.543 174.978 174.900 -0.774 0.000 1.111 647 G CA -0.215 43.907 45.100 -1.631 0.000 1.092 647 G HN 0.590 nan 8.290 nan 0.000 0.416 648 K N 0.000 120.030 120.400 -0.616 0.000 2.780 648 K HA 0.000 4.320 4.320 0.000 0.000 0.191 648 K CA 0.000 56.136 56.287 -0.252 0.000 0.838 648 K CB 0.000 32.415 32.500 -0.141 0.000 1.064 648 K HN 0.000 nan 8.250 nan 0.000 0.543