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 1rwg_1_A DATA FIRST_RESID 4 DATA SEQUENCE PGAAEFAALR NRWVDQITGR NVIQAGDPDF AKAITALNNK AADSLAKLDA DATA SEQUENCE AAGRTSVFTD LSLAKDAEMV TTYTRLSQLA TAWATPTAAV FGDAAVLAAI DATA SEQUENCE KAGLADANTL CYNDRKEEVG NWWSWEIGVP RALADAMVLL HAELSAAERT DATA SEQUENCE AYCAAIDHFV PDPWLQFPPK RGKITSVGAN RVDLCQGIII RSLAGEDPTK DATA SEQUENCE LNHAVAGLSQ VWQYVTSGDG IFRDGSFIQH STTPYTGSYG VVLLTGLSKL DATA SEQUENCE FSLLGGTAFE VSDPTRSIFF DAVEGSFAPV MINGAMADAV RGRSISREAN DATA SEQUENCE TGYDLGASAI EAILLLARAM DPATAARWRG LCAGWIARDT YRPILNSASV DATA SEQUENCE PRTALVKQLE ATGVAPVAEA TGHKLFPAMD RTMHRGPGWA LSLALSSNRI DATA SEQUENCE AWYECGNGEN NRGYHTGSGM TYFYTSDLGQ YDDAFWATAN YNRLPGITVD DATA SEQUENCE TTPLPDKVEG QWGAAVPADE WSGATALGEV AAVGQHLVGP GRTGLTARKS DATA SEQUENCE WFVSGDVTVC LGADISTASG AKVETIVDHR NLHQGSNTLT TAAGTIAGTA DATA SEQUENCE GTVEVLGDGR WVHLEGFGGY AMLDDSPLHV LRETRSGSWS GVNINGSATV DATA SEQUENCE QQRNFATLYV NHGVGPVAGS YAYMVAPGAS VDLTRKLLEG NKYSVIRNDA DATA SEQUENCE TAQSVEFKTA KTTAATFWKP GMAGDLGASG PACVVFSRHG NELSLAVSEP DATA SEQUENCE TQKAAGLTLT LPEGTWSSVL EGAGTLGTDA DGRSTLTLDT TGLSGKTKLI DATA SEQUENCE KLKR 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.338 177.300 0.063 0.000 1.155 4 P CA 0.000 63.043 63.100 -0.095 0.000 0.800 4 P CB 0.000 31.518 31.700 -0.303 0.000 0.726 5 G N 0.146 108.993 108.800 0.078 0.000 3.008 5 G HA2 0.573 4.533 3.960 0.001 0.000 0.181 5 G HA3 0.573 4.533 3.960 0.001 0.000 0.181 5 G C 0.785 175.854 174.900 0.281 0.000 1.309 5 G CA -0.019 45.199 45.100 0.196 0.000 1.009 5 G HN 0.512 nan 8.290 nan 0.000 0.584 6 A N -0.581 122.373 122.820 0.223 0.000 1.917 6 A HA 0.114 4.434 4.320 0.001 0.000 0.219 6 A C 2.672 180.363 177.584 0.179 0.000 1.182 6 A CA 2.963 55.128 52.037 0.214 0.000 0.633 6 A CB -1.004 18.079 19.000 0.138 0.000 0.819 6 A HN 1.313 nan 8.150 nan 0.000 0.448 7 A N -0.614 122.276 122.820 0.116 0.000 1.930 7 A HA -0.055 4.266 4.320 0.001 0.000 0.217 7 A C 1.883 179.505 177.584 0.064 0.000 1.175 7 A CA 1.838 53.923 52.037 0.081 0.000 0.627 7 A CB -0.408 18.624 19.000 0.053 0.000 0.815 7 A HN 0.477 nan 8.150 nan 0.000 0.443 8 E N -0.533 119.685 120.200 0.030 0.000 2.072 8 E HA -0.081 4.269 4.350 0.001 0.000 0.191 8 E C 1.536 178.098 176.600 -0.064 0.000 0.985 8 E CA 1.178 57.545 56.400 -0.054 0.000 0.801 8 E CB -0.458 29.148 29.700 -0.156 0.000 0.750 8 E HN 0.706 nan 8.360 nan 0.000 0.452 9 F N 0.440 120.442 119.950 0.087 0.000 2.186 9 F HA -0.119 4.408 4.527 0.001 0.000 0.299 9 F C 2.293 178.091 175.800 -0.003 0.000 1.090 9 F CA 0.853 58.882 58.000 0.048 0.000 1.307 9 F CB -0.253 38.764 39.000 0.029 0.000 1.019 9 F HN 0.047 nan 8.300 nan 0.000 0.489 10 A N 0.002 122.923 122.820 0.168 0.000 1.902 10 A HA -0.106 4.215 4.320 0.001 0.000 0.217 10 A C 2.345 179.979 177.584 0.083 0.000 1.181 10 A CA 1.663 53.751 52.037 0.085 0.000 0.623 10 A CB -1.203 17.849 19.000 0.087 0.000 0.818 10 A HN 0.317 nan 8.150 nan 0.000 0.443 11 A N -0.399 122.468 122.820 0.079 0.000 1.898 11 A HA 0.006 4.326 4.320 0.001 0.000 0.216 11 A C 2.165 179.804 177.584 0.091 0.000 1.181 11 A CA 1.419 53.499 52.037 0.072 0.000 0.620 11 A CB -0.561 18.468 19.000 0.049 0.000 0.819 11 A HN 0.453 nan 8.150 nan 0.000 0.442 12 L N -0.947 120.331 121.223 0.091 0.000 2.046 12 L HA -0.192 4.148 4.340 0.001 0.000 0.208 12 L C 2.891 179.855 176.870 0.156 0.000 1.077 12 L CA 1.471 56.381 54.840 0.117 0.000 0.747 12 L CB -0.404 41.708 42.059 0.089 0.000 0.896 12 L HN 0.344 nan 8.230 nan 0.000 0.432 13 R N -0.376 120.204 120.500 0.133 0.000 2.081 13 R HA -0.144 4.196 4.340 0.001 0.000 0.235 13 R C 2.119 178.536 176.300 0.196 0.000 1.131 13 R CA 1.401 57.590 56.100 0.148 0.000 0.960 13 R CB -0.472 29.844 30.300 0.027 0.000 0.856 13 R HN 0.424 nan 8.270 nan 0.000 0.436 14 N N 0.714 119.500 118.700 0.144 0.000 2.166 14 N HA -0.182 4.558 4.740 0.001 0.000 0.186 14 N C 1.768 177.367 175.510 0.148 0.000 1.019 14 N CA 1.000 54.132 53.050 0.136 0.000 0.856 14 N CB -0.199 38.349 38.487 0.102 0.000 0.993 14 N HN 0.245 nan 8.380 nan 0.000 0.426 15 R N -0.040 120.558 120.500 0.164 0.000 2.081 15 R HA -0.132 4.209 4.340 0.001 0.000 0.235 15 R C 2.271 178.715 176.300 0.240 0.000 1.131 15 R CA 1.039 57.243 56.100 0.173 0.000 0.960 15 R CB -0.347 30.057 30.300 0.175 0.000 0.856 15 R HN 0.405 nan 8.270 nan 0.000 0.436 16 W N 0.664 122.006 121.300 0.071 0.000 2.379 16 W HA -0.180 4.480 4.660 0.001 0.000 0.307 16 W C 1.595 178.160 176.519 0.077 0.000 1.200 16 W CA 1.253 58.642 57.345 0.074 0.000 1.297 16 W CB -0.086 29.418 29.460 0.075 0.000 1.140 16 W HN -0.030 nan 8.180 nan 0.000 0.507 17 V N 1.350 121.374 119.914 0.183 0.000 2.332 17 V HA -0.336 3.785 4.120 0.001 0.000 0.248 17 V C 1.990 178.081 176.094 -0.005 0.000 1.055 17 V CA 2.378 64.718 62.300 0.066 0.000 1.038 17 V CB -1.076 30.834 31.823 0.146 0.000 0.651 17 V HN 0.044 nan 8.190 nan 0.000 0.450 18 D N -0.558 119.859 120.400 0.028 0.000 2.123 18 D HA -0.217 4.424 4.640 0.001 0.000 0.196 18 D C 2.175 178.447 176.300 -0.047 0.000 0.992 18 D CA 1.526 55.528 54.000 0.003 0.000 0.833 18 D CB -0.236 40.581 40.800 0.029 0.000 0.954 18 D HN 0.541 nan 8.370 nan 0.000 0.455 19 Q N 0.249 119.995 119.800 -0.090 0.000 2.079 19 Q HA -0.099 4.241 4.340 0.001 0.000 0.200 19 Q C 2.333 178.180 176.000 -0.254 0.000 0.974 19 Q CA 1.026 56.733 55.803 -0.159 0.000 0.840 19 Q CB 0.023 28.642 28.738 -0.199 0.000 0.898 19 Q HN 0.476 nan 8.270 nan 0.000 0.430 20 I N -2.158 118.179 120.570 -0.387 0.000 3.419 20 I HA 0.051 4.222 4.170 0.001 0.000 0.286 20 I C 1.666 177.689 176.117 -0.156 0.000 1.268 20 I CA 1.114 62.202 61.300 -0.353 0.000 1.414 20 I CB -0.095 37.586 38.000 -0.531 0.000 1.074 20 I HN 0.066 nan 8.210 nan 0.000 0.457 21 T N -2.840 111.656 114.554 -0.097 0.000 3.023 21 T HA 0.354 4.704 4.350 0.001 0.000 0.249 21 T C 1.702 176.393 174.700 -0.016 0.000 1.050 21 T CA 0.575 62.657 62.100 -0.029 0.000 1.088 21 T CB 0.172 69.043 68.868 0.005 0.000 0.946 21 T HN 0.591 nan 8.240 nan 0.000 0.480 22 G N 2.998 111.784 108.800 -0.024 0.000 2.153 22 G HA2 -0.388 3.573 3.960 0.001 0.000 0.252 22 G HA3 -0.388 3.573 3.960 0.001 0.000 0.252 22 G C 1.006 175.879 174.900 -0.045 0.000 0.994 22 G CA 0.633 45.733 45.100 0.000 0.000 0.698 22 G HN 0.836 nan 8.290 nan 0.000 0.521 23 R N 0.476 120.945 120.500 -0.052 0.000 2.152 23 R HA -0.089 4.251 4.340 0.001 0.000 0.232 23 R C 1.910 178.144 176.300 -0.110 0.000 1.117 23 R CA 1.651 57.697 56.100 -0.091 0.000 0.981 23 R CB -0.523 29.744 30.300 -0.056 0.000 0.870 23 R HN 0.516 nan 8.270 nan 0.000 0.451 24 N N 1.332 119.987 118.700 -0.076 0.000 2.398 24 N HA -0.057 4.684 4.740 0.001 0.000 0.188 24 N C 1.191 176.641 175.510 -0.100 0.000 1.122 24 N CA 0.938 53.944 53.050 -0.074 0.000 0.866 24 N CB 0.717 39.184 38.487 -0.033 0.000 0.970 24 N HN 0.364 nan 8.380 nan 0.000 0.462 25 V N -3.080 116.754 119.914 -0.133 0.000 3.252 25 V HA 0.467 4.588 4.120 0.001 0.000 0.320 25 V C 0.397 176.230 176.094 -0.435 0.000 1.459 25 V CA -0.769 61.435 62.300 -0.161 0.000 1.095 25 V CB -0.578 31.229 31.823 -0.027 0.000 0.997 25 V HN -0.078 nan 8.190 nan 0.000 0.469 26 I N 2.177 122.406 120.570 -0.568 0.000 2.533 26 I HA 0.180 4.350 4.170 0.001 0.000 0.284 26 I C 0.463 176.069 176.117 -0.853 0.000 1.109 26 I CA 0.639 61.299 61.300 -1.066 0.000 1.412 26 I CB 0.769 38.411 38.000 -0.595 0.000 1.396 26 I HN 0.356 nan 8.210 nan 0.000 0.543 27 Q N 5.620 124.773 119.800 -1.079 0.000 2.331 27 Q HA 0.498 4.838 4.340 0.001 0.000 0.257 27 Q C -0.119 175.769 176.000 -0.187 0.000 0.957 27 Q CA -0.778 54.815 55.803 -0.350 0.000 0.923 27 Q CB 1.630 30.340 28.738 -0.046 0.000 1.212 27 Q HN 0.789 nan 8.270 nan 0.000 0.443 28 A N 2.015 124.751 122.820 -0.140 0.000 2.546 28 A HA 0.389 4.709 4.320 0.001 0.000 0.243 28 A C 1.268 178.834 177.584 -0.029 0.000 1.063 28 A CA 0.768 52.753 52.037 -0.086 0.000 0.757 28 A CB -0.444 18.508 19.000 -0.080 0.000 0.991 28 A HN 1.050 nan 8.150 nan 0.000 0.503 29 G N 1.675 110.468 108.800 -0.011 0.000 2.168 29 G HA2 -0.243 3.717 3.960 0.001 0.000 0.263 29 G HA3 -0.243 3.717 3.960 0.001 0.000 0.263 29 G C 0.140 175.065 174.900 0.040 0.000 0.977 29 G CA 0.473 45.580 45.100 0.011 0.000 0.659 29 G HN 1.081 nan 8.290 nan 0.000 0.533 30 D N 0.778 121.228 120.400 0.084 0.000 2.348 30 D HA 0.284 4.925 4.640 0.001 0.000 0.253 30 D C -0.279 176.090 176.300 0.115 0.000 1.161 30 D CA -1.190 52.891 54.000 0.135 0.000 0.876 30 D CB 1.537 42.521 40.800 0.306 0.000 1.160 30 D HN 0.165 nan 8.370 nan 0.000 0.459 31 P HA -0.066 nan 4.420 nan 0.000 0.221 31 P C 0.619 177.922 177.300 0.005 0.000 1.150 31 P CA 0.686 63.802 63.100 0.027 0.000 0.800 31 P CB 0.583 32.287 31.700 0.006 0.000 0.787 32 D N -0.709 119.672 120.400 -0.032 0.000 2.149 32 D HA -0.052 4.588 4.640 0.001 0.000 0.201 32 D C 1.992 178.198 176.300 -0.156 0.000 0.972 32 D CA 0.859 54.785 54.000 -0.124 0.000 0.835 32 D CB -0.665 40.008 40.800 -0.212 0.000 0.966 32 D HN 0.183 nan 8.370 nan 0.000 0.476 33 F N 1.931 121.865 119.950 -0.027 0.000 2.134 33 F HA -0.164 4.364 4.527 0.001 0.000 0.299 33 F C 2.620 178.400 175.800 -0.033 0.000 1.097 33 F CA 1.021 59.002 58.000 -0.032 0.000 1.264 33 F CB -0.244 38.733 39.000 -0.038 0.000 1.001 33 F HN -0.077 nan 8.300 nan 0.000 0.479 34 A N -0.067 122.839 122.820 0.144 0.000 1.930 34 A HA -0.190 4.130 4.320 0.001 0.000 0.217 34 A C 2.140 179.747 177.584 0.038 0.000 1.175 34 A CA 1.542 53.623 52.037 0.073 0.000 0.627 34 A CB -0.534 18.494 19.000 0.046 0.000 0.815 34 A HN 0.318 nan 8.150 nan 0.000 0.443 35 K N -0.316 120.092 120.400 0.014 0.000 2.097 35 K HA -0.010 4.311 4.320 0.001 0.000 0.205 35 K C 2.254 178.849 176.600 -0.008 0.000 1.050 35 K CA 0.987 57.269 56.287 -0.008 0.000 0.938 35 K CB -0.272 32.210 32.500 -0.030 0.000 0.718 35 K HN 0.441 nan 8.250 nan 0.000 0.442 36 A N 1.440 124.257 122.820 -0.007 0.000 1.930 36 A HA -0.128 4.192 4.320 0.001 0.000 0.217 36 A C 2.020 179.620 177.584 0.027 0.000 1.175 36 A CA 1.119 53.156 52.037 -0.001 0.000 0.627 36 A CB -0.382 18.615 19.000 -0.006 0.000 0.815 36 A HN 0.106 nan 8.150 nan 0.000 0.443 37 I N -0.188 120.411 120.570 0.047 0.000 2.353 37 I HA -0.149 4.022 4.170 0.001 0.000 0.248 37 I C 2.415 178.547 176.117 0.025 0.000 1.119 37 I CA 1.729 63.052 61.300 0.038 0.000 1.417 37 I CB -1.699 36.322 38.000 0.036 0.000 1.078 37 I HN 0.236 nan 8.210 nan 0.000 0.421 38 T N 1.425 115.990 114.554 0.019 0.000 2.746 38 T HA -0.123 4.228 4.350 0.001 0.000 0.267 38 T C 2.068 176.773 174.700 0.008 0.000 1.039 38 T CA 1.619 63.726 62.100 0.012 0.000 1.142 38 T CB -0.182 68.689 68.868 0.006 0.000 0.866 38 T HN 0.460 nan 8.240 nan 0.000 0.444 39 A N 1.031 123.852 122.820 0.002 0.000 1.898 39 A HA 0.023 4.343 4.320 0.001 0.000 0.216 39 A C 2.233 179.819 177.584 0.003 0.000 1.181 39 A CA 1.208 53.243 52.037 -0.004 0.000 0.620 39 A CB -0.786 18.205 19.000 -0.015 0.000 0.819 39 A HN 0.424 nan 8.150 nan 0.000 0.442 40 L N 0.447 121.678 121.223 0.013 0.000 2.012 40 L HA -0.204 4.136 4.340 0.001 0.000 0.210 40 L C 1.909 178.798 176.870 0.032 0.000 1.073 40 L CA 2.329 57.183 54.840 0.024 0.000 0.748 40 L CB -0.646 41.434 42.059 0.034 0.000 0.891 40 L HN 0.331 nan 8.230 nan 0.000 0.431 41 N N 0.144 118.863 118.700 0.032 0.000 2.120 41 N HA -0.170 4.571 4.740 0.001 0.000 0.188 41 N C 1.587 177.114 175.510 0.028 0.000 1.024 41 N CA 1.494 54.567 53.050 0.037 0.000 0.852 41 N CB -0.654 37.853 38.487 0.033 0.000 1.003 41 N HN 0.443 nan 8.380 nan 0.000 0.424 42 N N 0.874 119.584 118.700 0.016 0.000 2.188 42 N HA -0.127 4.614 4.740 0.001 0.000 0.184 42 N C 1.672 177.184 175.510 0.004 0.000 1.018 42 N CA 0.799 53.855 53.050 0.009 0.000 0.858 42 N CB -0.216 38.271 38.487 0.001 0.000 0.989 42 N HN 0.220 nan 8.380 nan 0.000 0.426 43 K N 1.493 121.893 120.400 0.000 0.000 2.057 43 K HA 0.098 4.419 4.320 0.001 0.000 0.206 43 K C 1.775 178.374 176.600 -0.003 0.000 1.050 43 K CA 1.264 57.544 56.287 -0.012 0.000 0.935 43 K CB -0.600 31.890 32.500 -0.017 0.000 0.715 43 K HN 0.077 nan 8.250 nan 0.000 0.439 44 A N 0.588 123.421 122.820 0.022 0.000 1.902 44 A HA -0.031 4.289 4.320 0.001 0.000 0.217 44 A C 2.390 180.003 177.584 0.048 0.000 1.181 44 A CA 2.058 54.122 52.037 0.045 0.000 0.623 44 A CB -1.103 17.940 19.000 0.072 0.000 0.818 44 A HN 0.425 nan 8.150 nan 0.000 0.443 45 A N -0.163 122.681 122.820 0.040 0.000 1.933 45 A HA -0.191 4.129 4.320 0.001 0.000 0.218 45 A C 1.814 179.418 177.584 0.033 0.000 1.175 45 A CA 2.147 54.208 52.037 0.040 0.000 0.628 45 A CB -0.720 18.299 19.000 0.032 0.000 0.814 45 A HN 0.576 nan 8.150 nan 0.000 0.444 46 D N -0.578 119.830 120.400 0.014 0.000 2.117 46 D HA -0.107 4.533 4.640 0.001 0.000 0.197 46 D C 2.109 178.409 176.300 -0.000 0.000 0.987 46 D CA 1.712 55.712 54.000 -0.000 0.000 0.829 46 D CB 0.008 40.794 40.800 -0.023 0.000 0.961 46 D HN 0.346 nan 8.370 nan 0.000 0.460 47 S N -0.540 115.152 115.700 -0.013 0.000 2.368 47 S HA -0.082 4.389 4.470 0.001 0.000 0.225 47 S C 2.055 176.780 174.600 0.209 0.000 1.030 47 S CA 0.592 58.792 58.200 -0.000 0.000 0.999 47 S CB -0.285 62.878 63.200 -0.062 0.000 0.844 47 S HN 0.304 nan 8.310 nan 0.000 0.459 48 L N 1.176 122.490 121.223 0.151 0.000 2.131 48 L HA -0.092 4.249 4.340 0.001 0.000 0.210 48 L C 2.696 179.632 176.870 0.110 0.000 1.092 48 L CA 1.032 55.955 54.840 0.139 0.000 0.759 48 L CB -0.634 41.479 42.059 0.090 0.000 0.903 48 L HN 0.318 nan 8.230 nan 0.000 0.435 49 A N -0.068 122.805 122.820 0.088 0.000 2.070 49 A HA -0.181 4.139 4.320 0.001 0.000 0.220 49 A C 2.114 179.750 177.584 0.086 0.000 1.159 49 A CA 1.455 53.532 52.037 0.067 0.000 0.656 49 A CB -0.247 18.780 19.000 0.045 0.000 0.800 49 A HN 0.363 nan 8.150 nan 0.000 0.453 50 K N -0.629 119.859 120.400 0.146 0.000 2.358 50 K HA 0.331 4.652 4.320 0.001 0.000 0.197 50 K C -0.270 176.487 176.600 0.262 0.000 1.025 50 K CA -0.332 56.071 56.287 0.193 0.000 1.104 50 K CB 0.162 32.769 32.500 0.178 0.000 0.855 50 K HN 0.367 nan 8.250 nan 0.000 0.531 51 L N 2.327 123.651 121.223 0.168 0.000 2.525 51 L HA -0.033 4.307 4.340 0.001 0.000 0.278 51 L C 0.359 177.193 176.870 -0.059 0.000 1.218 51 L CA 0.086 54.895 54.840 -0.052 0.000 0.878 51 L CB 0.212 42.215 42.059 -0.093 0.000 1.127 51 L HN 0.155 nan 8.230 nan 0.000 0.492 52 D N 3.057 123.377 120.400 -0.133 0.000 2.338 52 D HA 0.178 4.818 4.640 0.001 0.000 0.255 52 D C 0.411 176.657 176.300 -0.090 0.000 1.237 52 D CA 0.005 53.953 54.000 -0.086 0.000 0.883 52 D CB 1.676 42.419 40.800 -0.095 0.000 1.087 52 D HN 0.582 nan 8.370 nan 0.000 0.485 53 A N 3.474 126.262 122.820 -0.053 0.000 2.308 53 A HA 0.453 4.773 4.320 0.001 0.000 0.217 53 A C 1.054 178.616 177.584 -0.037 0.000 1.216 53 A CA 0.137 52.145 52.037 -0.048 0.000 0.864 53 A CB 0.040 19.022 19.000 -0.030 0.000 0.902 53 A HN 0.616 nan 8.150 nan 0.000 0.499 54 A N 0.564 123.364 122.820 -0.033 0.000 2.511 54 A HA 0.526 4.846 4.320 0.001 0.000 0.242 54 A C 0.863 178.432 177.584 -0.025 0.000 1.069 54 A CA 0.263 52.286 52.037 -0.023 0.000 0.763 54 A CB -0.252 18.737 19.000 -0.018 0.000 1.001 54 A HN 1.354 nan 8.150 nan 0.000 0.498 55 A N 1.815 124.624 122.820 -0.018 0.000 2.511 55 A HA 0.492 4.812 4.320 0.001 0.000 0.242 55 A C 1.540 179.115 177.584 -0.014 0.000 1.069 55 A CA 0.573 52.600 52.037 -0.016 0.000 0.763 55 A CB -0.664 18.329 19.000 -0.011 0.000 1.001 55 A HN 2.775 nan 8.150 nan 0.000 0.498 56 G N 1.851 110.642 108.800 -0.014 0.000 2.273 56 G HA2 -0.287 3.673 3.960 0.001 0.000 0.280 56 G HA3 -0.287 3.673 3.960 0.001 0.000 0.280 56 G C 0.290 175.183 174.900 -0.011 0.000 1.047 56 G CA 0.552 45.646 45.100 -0.010 0.000 0.869 56 G HN 1.431 nan 8.290 nan 0.000 0.502 57 R N -1.104 119.383 120.500 -0.022 0.000 2.679 57 R HA 0.453 4.793 4.340 0.001 0.000 0.268 57 R C 1.132 177.421 176.300 -0.018 0.000 1.044 57 R CA 0.560 56.645 56.100 -0.026 0.000 1.105 57 R CB 0.233 30.503 30.300 -0.050 0.000 0.989 57 R HN 0.480 nan 8.270 nan 0.000 0.447 58 T N -2.216 112.331 114.554 -0.010 0.000 3.044 58 T HA 0.140 4.491 4.350 0.001 0.000 0.260 58 T C 0.274 174.975 174.700 0.003 0.000 1.019 58 T CA 0.011 62.114 62.100 0.004 0.000 0.921 58 T CB 0.072 68.950 68.868 0.017 0.000 1.053 58 T HN 0.680 nan 8.240 nan 0.000 0.533 59 S N -0.606 115.082 115.700 -0.019 0.000 2.627 59 S HA 0.673 5.144 4.470 0.001 0.000 0.283 59 S C 0.521 175.060 174.600 -0.101 0.000 1.127 59 S CA -0.591 57.590 58.200 -0.030 0.000 0.863 59 S CB 1.772 64.974 63.200 0.004 0.000 1.121 59 S HN -0.095 nan 8.310 nan 0.000 0.479 60 V N -0.305 119.509 119.914 -0.167 0.000 2.685 60 V HA 0.330 4.450 4.120 0.001 0.000 0.244 60 V C -0.330 175.397 176.094 -0.612 0.000 1.054 60 V CA 0.810 62.865 62.300 -0.408 0.000 1.076 60 V CB -0.627 30.882 31.823 -0.525 0.000 0.725 60 V HN 0.747 nan 8.190 nan 0.000 0.467 61 F N 0.308 120.222 119.950 -0.061 0.000 2.469 61 F HA 0.348 4.875 4.527 0.001 0.000 0.332 61 F C 1.578 177.360 175.800 -0.030 0.000 1.103 61 F CA -0.207 57.766 58.000 -0.046 0.000 0.979 61 F CB 1.604 40.574 39.000 -0.050 0.000 1.137 61 F HN -0.068 nan 8.300 nan 0.000 0.463 62 T N -3.288 111.354 114.554 0.146 0.000 3.007 62 T HA -0.164 4.186 4.350 0.001 0.000 0.270 62 T C 0.849 175.596 174.700 0.079 0.000 1.107 62 T CA 1.384 63.531 62.100 0.079 0.000 1.118 62 T CB -0.317 68.585 68.868 0.056 0.000 0.889 62 T HN 0.643 nan 8.240 nan 0.000 0.506 63 D N 0.585 121.046 120.400 0.101 0.000 2.402 63 D HA 0.155 4.795 4.640 0.001 0.000 0.216 63 D C 0.121 176.454 176.300 0.055 0.000 1.128 63 D CA -0.360 53.677 54.000 0.060 0.000 0.833 63 D CB -0.216 40.605 40.800 0.035 0.000 0.971 63 D HN 0.412 nan 8.370 nan 0.000 0.503 64 L N 0.747 122.025 121.223 0.091 0.000 2.406 64 L HA 0.271 4.612 4.340 0.001 0.000 0.270 64 L C -0.227 176.685 176.870 0.070 0.000 0.982 64 L CA -0.803 54.081 54.840 0.074 0.000 0.843 64 L CB 2.165 44.282 42.059 0.096 0.000 1.225 64 L HN -0.137 nan 8.230 nan 0.000 0.412 65 S N 2.812 118.541 115.700 0.050 0.000 2.499 65 S HA 0.358 4.828 4.470 0.001 0.000 0.275 65 S C 1.148 175.779 174.600 0.051 0.000 1.257 65 S CA -0.593 57.636 58.200 0.050 0.000 1.050 65 S CB 0.687 63.916 63.200 0.048 0.000 0.937 65 S HN 0.618 nan 8.310 nan 0.000 0.490 66 L N 4.278 125.535 121.223 0.057 0.000 2.456 66 L HA 0.007 4.347 4.340 0.001 0.000 0.224 66 L C 2.437 179.367 176.870 0.100 0.000 1.148 66 L CA 0.937 55.819 54.840 0.070 0.000 0.825 66 L CB -0.537 41.570 42.059 0.080 0.000 0.937 66 L HN 0.822 nan 8.230 nan 0.000 0.450 67 A N -0.367 122.511 122.820 0.098 0.000 2.238 67 A HA 0.018 4.339 4.320 0.001 0.000 0.208 67 A C 0.790 178.445 177.584 0.118 0.000 1.177 67 A CA 0.376 52.487 52.037 0.124 0.000 0.804 67 A CB -0.111 18.950 19.000 0.101 0.000 0.823 67 A HN 0.217 nan 8.150 nan 0.000 0.482 68 K N 0.562 121.010 120.400 0.081 0.000 2.339 68 K HA 0.251 4.572 4.320 0.001 0.000 0.264 68 K C -0.193 176.423 176.600 0.026 0.000 0.986 68 K CA 0.068 56.395 56.287 0.067 0.000 0.866 68 K CB 1.411 33.939 32.500 0.047 0.000 1.103 68 K HN 0.394 nan 8.250 nan 0.000 0.441 69 D N 2.398 122.817 120.400 0.032 0.000 2.178 69 D HA -0.223 4.417 4.640 0.001 0.000 0.201 69 D C 1.467 177.684 176.300 -0.138 0.000 0.980 69 D CA 1.169 55.095 54.000 -0.122 0.000 0.842 69 D CB 0.116 40.864 40.800 -0.086 0.000 0.948 69 D HN 0.442 nan 8.370 nan 0.000 0.472 70 A N 0.494 123.287 122.820 -0.045 0.000 1.969 70 A HA -0.161 4.159 4.320 0.001 0.000 0.218 70 A C 2.106 179.668 177.584 -0.035 0.000 1.169 70 A CA 1.297 53.315 52.037 -0.032 0.000 0.635 70 A CB -0.499 18.495 19.000 -0.010 0.000 0.810 70 A HN 0.299 nan 8.150 nan 0.000 0.445 71 E N -0.905 119.280 120.200 -0.026 0.000 2.216 71 E HA -0.101 4.250 4.350 0.001 0.000 0.192 71 E C 1.970 178.560 176.600 -0.016 0.000 0.988 71 E CA 0.869 57.260 56.400 -0.016 0.000 0.834 71 E CB -0.225 29.479 29.700 0.006 0.000 0.772 71 E HN 0.766 nan 8.360 nan 0.000 0.479 72 M N 0.906 120.479 119.600 -0.045 0.000 2.086 72 M HA -0.166 4.314 4.480 0.001 0.000 0.261 72 M C 2.131 178.420 176.300 -0.018 0.000 1.067 72 M CA 1.419 56.692 55.300 -0.046 0.000 1.116 72 M CB 0.027 32.526 32.600 -0.168 0.000 1.348 72 M HN -0.024 nan 8.290 nan 0.000 0.407 73 V N 0.645 120.501 119.914 -0.098 0.000 2.287 73 V HA -0.276 3.844 4.120 0.001 0.000 0.248 73 V C 2.327 178.420 176.094 -0.003 0.000 1.053 73 V CA 2.450 64.708 62.300 -0.070 0.000 1.027 73 V CB -1.354 30.440 31.823 -0.049 0.000 0.646 73 V HN 0.589 nan 8.190 nan 0.000 0.447 74 T N -0.639 113.900 114.554 -0.024 0.000 2.788 74 T HA -0.198 4.152 4.350 0.001 0.000 0.268 74 T C 1.932 176.583 174.700 -0.083 0.000 1.044 74 T CA 1.920 63.985 62.100 -0.059 0.000 1.139 74 T CB -0.412 68.407 68.868 -0.081 0.000 0.867 74 T HN 0.559 nan 8.240 nan 0.000 0.454 75 T N 0.982 115.523 114.554 -0.021 0.000 2.635 75 T HA -0.141 4.210 4.350 0.001 0.000 0.267 75 T C 1.619 176.309 174.700 -0.017 0.000 1.040 75 T CA 1.467 63.603 62.100 0.060 0.000 1.156 75 T CB -0.531 68.355 68.868 0.030 0.000 0.863 75 T HN 0.471 nan 8.240 nan 0.000 0.430 76 Y N 1.391 121.658 120.300 -0.055 0.000 2.263 76 Y HA -0.114 4.436 4.550 0.000 0.000 0.292 76 Y C 3.082 178.939 175.900 -0.071 0.000 1.130 76 Y CA 1.368 59.411 58.100 -0.095 0.000 1.179 76 Y CB -0.592 37.736 38.460 -0.220 0.000 0.998 76 Y HN 0.355 nan 8.280 nan 0.000 0.532 77 T N -1.929 112.660 114.554 0.059 0.000 2.867 77 T HA -0.131 4.220 4.350 0.001 0.000 0.268 77 T C 1.845 176.535 174.700 -0.016 0.000 1.057 77 T CA 0.997 63.106 62.100 0.016 0.000 1.136 77 T CB -0.241 68.625 68.868 -0.004 0.000 0.874 77 T HN 0.242 nan 8.240 nan 0.000 0.466 78 R N 0.663 121.117 120.500 -0.077 0.000 2.096 78 R HA 0.148 4.489 4.340 0.001 0.000 0.235 78 R C 2.525 178.839 176.300 0.023 0.000 1.127 78 R CA 1.234 57.260 56.100 -0.125 0.000 0.968 78 R CB -0.623 29.386 30.300 -0.484 0.000 0.861 78 R HN 0.391 nan 8.270 nan 0.000 0.440 79 L N 0.434 121.706 121.223 0.082 0.000 2.056 79 L HA -0.165 4.176 4.340 0.001 0.000 0.207 79 L C 2.662 179.569 176.870 0.061 0.000 1.078 79 L CA 1.510 56.399 54.840 0.083 0.000 0.749 79 L CB -0.521 41.536 42.059 -0.003 0.000 0.901 79 L HN 0.285 nan 8.230 nan 0.000 0.433 80 S N -1.152 114.587 115.700 0.066 0.000 2.402 80 S HA -0.233 4.237 4.470 0.001 0.000 0.229 80 S C 1.986 176.632 174.600 0.076 0.000 1.021 80 S CA 0.796 59.043 58.200 0.079 0.000 0.974 80 S CB -0.332 62.919 63.200 0.086 0.000 0.800 80 S HN 0.405 nan 8.310 nan 0.000 0.484 81 Q N 1.219 121.052 119.800 0.053 0.000 2.079 81 Q HA -0.001 4.340 4.340 0.001 0.000 0.200 81 Q C 2.212 178.260 176.000 0.080 0.000 0.974 81 Q CA 1.414 57.247 55.803 0.049 0.000 0.840 81 Q CB -0.404 28.342 28.738 0.014 0.000 0.898 81 Q HN 0.668 nan 8.270 nan 0.000 0.430 82 L N 0.160 121.434 121.223 0.085 0.000 2.046 82 L HA -0.167 4.174 4.340 0.001 0.000 0.208 82 L C 2.556 179.521 176.870 0.159 0.000 1.077 82 L CA 1.140 56.049 54.840 0.114 0.000 0.747 82 L CB -0.580 41.542 42.059 0.104 0.000 0.896 82 L HN 0.177 nan 8.230 nan 0.000 0.432 83 A N -0.714 122.186 122.820 0.133 0.000 1.972 83 A HA -0.182 4.139 4.320 0.001 0.000 0.219 83 A C 2.335 180.098 177.584 0.298 0.000 1.169 83 A CA 2.160 54.310 52.037 0.190 0.000 0.635 83 A CB -0.792 18.277 19.000 0.114 0.000 0.810 83 A HN 0.378 nan 8.150 nan 0.000 0.446 84 T N 0.326 114.998 114.554 0.197 0.000 2.708 84 T HA -0.049 4.301 4.350 0.001 0.000 0.266 84 T C 2.258 177.071 174.700 0.189 0.000 1.037 84 T CA 1.668 63.868 62.100 0.167 0.000 1.146 84 T CB -0.464 68.460 68.868 0.094 0.000 0.865 84 T HN 0.601 nan 8.240 nan 0.000 0.435 85 A N 0.516 123.447 122.820 0.185 0.000 1.877 85 A HA -0.130 4.191 4.320 0.001 0.000 0.216 85 A C 2.070 179.810 177.584 0.261 0.000 1.186 85 A CA 1.695 53.843 52.037 0.184 0.000 0.620 85 A CB -1.270 17.823 19.000 0.154 0.000 0.822 85 A HN 0.749 nan 8.150 nan 0.000 0.443 86 W N 0.586 121.945 121.300 0.099 0.000 2.364 86 W HA -0.054 4.606 4.660 0.000 0.000 0.281 86 W C 1.900 178.480 176.519 0.101 0.000 1.219 86 W CA 1.830 59.214 57.345 0.066 0.000 1.220 86 W CB 0.093 29.561 29.460 0.014 0.000 1.127 86 W HN 0.314 nan 8.180 nan 0.000 0.556 87 A N -0.557 122.380 122.820 0.195 0.000 2.308 87 A HA 0.243 4.563 4.320 0.001 0.000 0.217 87 A C 0.451 178.179 177.584 0.240 0.000 1.216 87 A CA 0.498 52.582 52.037 0.078 0.000 0.864 87 A CB -0.425 18.714 19.000 0.232 0.000 0.902 87 A HN 0.020 nan 8.150 nan 0.000 0.499 88 T N 3.158 117.863 114.554 0.251 0.000 2.753 88 T HA 0.428 4.778 4.350 0.001 0.000 0.297 88 T C -2.865 171.676 174.700 -0.266 0.000 0.981 88 T CA -1.185 60.935 62.100 0.034 0.000 0.956 88 T CB 1.217 70.106 68.868 0.035 0.000 0.936 88 T HN 0.031 nan 8.240 nan 0.000 0.463 89 P HA 0.032 nan 4.420 nan 0.000 0.264 89 P C 1.014 177.961 177.300 -0.589 0.000 1.183 89 P CA 0.815 63.184 63.100 -1.219 0.000 0.763 89 P CB 0.268 31.502 31.700 -0.777 0.000 0.807 90 T N -1.198 113.054 114.554 -0.504 0.000 7.013 90 T HA -0.277 4.074 4.350 0.001 0.000 0.288 90 T C 0.466 175.121 174.700 -0.076 0.000 2.146 90 T CA 0.721 62.700 62.100 -0.201 0.000 3.498 90 T CB -2.361 66.414 68.868 -0.156 0.000 1.517 90 T HN 0.666 nan 8.240 nan 0.000 1.113 91 A N 1.002 123.795 122.820 -0.045 0.000 2.466 91 A HA 0.822 5.143 4.320 0.001 0.000 0.238 91 A C 1.970 179.608 177.584 0.091 0.000 1.074 91 A CA 0.792 52.857 52.037 0.047 0.000 0.774 91 A CB -0.091 18.966 19.000 0.094 0.000 1.015 91 A HN 1.630 nan 8.150 nan 0.000 0.498 92 A N 1.133 123.999 122.820 0.077 0.000 1.940 92 A HA -0.041 4.279 4.320 0.001 0.000 0.219 92 A C 1.670 179.318 177.584 0.106 0.000 1.176 92 A CA 2.260 54.344 52.037 0.078 0.000 0.631 92 A CB -0.909 18.128 19.000 0.061 0.000 0.814 92 A HN 1.916 nan 8.150 nan 0.000 0.446 93 V N -4.016 115.977 119.914 0.132 0.000 3.444 93 V HA 0.376 4.496 4.120 0.001 0.000 0.308 93 V C 0.591 176.777 176.094 0.153 0.000 1.371 93 V CA -0.674 61.717 62.300 0.152 0.000 1.141 93 V CB -1.419 30.507 31.823 0.172 0.000 1.037 93 V HN 0.309 nan 8.190 nan 0.000 0.433 94 F N 3.267 123.198 119.950 -0.031 0.000 2.602 94 F HA 0.523 5.050 4.527 0.001 0.000 0.385 94 F C 1.461 177.114 175.800 -0.246 0.000 1.063 94 F CA 0.801 58.696 58.000 -0.176 0.000 1.233 94 F CB 0.187 39.093 39.000 -0.157 0.000 1.067 94 F HN 0.471 nan 8.300 nan 0.000 0.564 95 G N 4.128 112.121 108.800 -1.345 0.000 2.180 95 G HA2 -0.327 3.633 3.960 0.001 0.000 0.263 95 G HA3 -0.327 3.633 3.960 0.001 0.000 0.263 95 G C 0.109 174.902 174.900 -0.178 0.000 0.989 95 G CA 0.336 44.818 45.100 -1.030 0.000 0.692 95 G HN 0.913 nan 8.290 nan 0.000 0.526 96 D N 0.465 120.911 120.400 0.077 0.000 2.338 96 D HA 0.505 5.145 4.640 0.001 0.000 0.255 96 D C 1.558 178.001 176.300 0.239 0.000 1.237 96 D CA 0.422 54.518 54.000 0.159 0.000 0.883 96 D CB 0.902 41.793 40.800 0.152 0.000 1.087 96 D HN 0.294 nan 8.370 nan 0.000 0.485 97 A N 4.094 127.003 122.820 0.148 0.000 1.972 97 A HA -0.060 4.260 4.320 0.001 0.000 0.219 97 A C 2.065 179.678 177.584 0.049 0.000 1.169 97 A CA 1.630 53.733 52.037 0.110 0.000 0.635 97 A CB -0.226 18.816 19.000 0.070 0.000 0.810 97 A HN 0.654 nan 8.150 nan 0.000 0.446 98 A N -0.631 122.218 122.820 0.048 0.000 1.897 98 A HA 0.078 4.399 4.320 0.001 0.000 0.215 98 A C 2.192 179.783 177.584 0.011 0.000 1.181 98 A CA 1.543 53.593 52.037 0.021 0.000 0.620 98 A CB -0.770 18.244 19.000 0.024 0.000 0.821 98 A HN 0.329 nan 8.150 nan 0.000 0.443 99 V N -0.066 119.876 119.914 0.045 0.000 2.295 99 V HA -0.232 3.888 4.120 0.001 0.000 0.246 99 V C 2.499 178.562 176.094 -0.052 0.000 1.049 99 V CA 1.935 64.258 62.300 0.038 0.000 1.024 99 V CB -0.817 31.076 31.823 0.117 0.000 0.648 99 V HN 0.612 nan 8.190 nan 0.000 0.447 100 L N 1.131 122.282 121.223 -0.120 0.000 2.013 100 L HA -0.177 4.163 4.340 0.001 0.000 0.212 100 L C 2.451 179.181 176.870 -0.233 0.000 1.073 100 L CA 2.585 57.197 54.840 -0.380 0.000 0.753 100 L CB -0.991 40.770 42.059 -0.497 0.000 0.890 100 L HN 0.229 nan 8.230 nan 0.000 0.432 101 A N -0.569 122.174 122.820 -0.128 0.000 1.940 101 A HA -0.122 4.198 4.320 0.001 0.000 0.219 101 A C 2.448 179.975 177.584 -0.095 0.000 1.176 101 A CA 1.975 53.955 52.037 -0.096 0.000 0.631 101 A CB -1.212 17.755 19.000 -0.056 0.000 0.814 101 A HN 0.632 nan 8.150 nan 0.000 0.446 102 A N -0.114 122.654 122.820 -0.087 0.000 1.930 102 A HA -0.039 4.281 4.320 0.001 0.000 0.217 102 A C 2.099 179.612 177.584 -0.117 0.000 1.175 102 A CA 1.415 53.395 52.037 -0.094 0.000 0.627 102 A CB -0.582 18.377 19.000 -0.069 0.000 0.815 102 A HN 0.507 nan 8.150 nan 0.000 0.443 103 I N -0.462 120.037 120.570 -0.118 0.000 2.179 103 I HA -0.294 3.876 4.170 0.001 0.000 0.242 103 I C 2.476 178.519 176.117 -0.124 0.000 1.088 103 I CA 1.733 62.961 61.300 -0.120 0.000 1.357 103 I CB -0.317 37.594 38.000 -0.149 0.000 1.051 103 I HN 0.270 nan 8.210 nan 0.000 0.409 104 K N 0.874 121.199 120.400 -0.125 0.000 2.057 104 K HA -0.130 4.190 4.320 0.001 0.000 0.207 104 K C 2.270 178.842 176.600 -0.047 0.000 1.049 104 K CA 1.505 57.749 56.287 -0.071 0.000 0.931 104 K CB -0.281 32.171 32.500 -0.080 0.000 0.714 104 K HN 0.321 nan 8.250 nan 0.000 0.440 105 A N 1.121 123.895 122.820 -0.075 0.000 1.930 105 A HA -0.075 4.245 4.320 0.001 0.000 0.217 105 A C 2.381 179.899 177.584 -0.110 0.000 1.175 105 A CA 1.831 53.824 52.037 -0.073 0.000 0.627 105 A CB -1.078 17.872 19.000 -0.083 0.000 0.815 105 A HN 0.429 nan 8.150 nan 0.000 0.443 106 G N -0.060 108.639 108.800 -0.168 0.000 2.421 106 G HA2 -0.168 3.793 3.960 0.001 0.000 0.216 106 G HA3 -0.168 3.793 3.960 0.001 0.000 0.216 106 G C 1.554 176.310 174.900 -0.240 0.000 1.171 106 G CA 1.049 46.001 45.100 -0.247 0.000 0.775 106 G HN 0.430 nan 8.290 nan 0.000 0.543 107 L N 0.645 121.751 121.223 -0.194 0.000 2.046 107 L HA -0.043 4.298 4.340 0.001 0.000 0.208 107 L C 3.426 180.230 176.870 -0.111 0.000 1.077 107 L CA 0.992 55.688 54.840 -0.241 0.000 0.747 107 L CB -0.421 41.514 42.059 -0.206 0.000 0.896 107 L HN 0.310 nan 8.230 nan 0.000 0.432 108 A N 0.008 122.863 122.820 0.057 0.000 1.877 108 A HA -0.231 4.089 4.320 0.001 0.000 0.216 108 A C 1.933 179.570 177.584 0.089 0.000 1.186 108 A CA 2.092 54.230 52.037 0.169 0.000 0.620 108 A CB -0.524 18.545 19.000 0.115 0.000 0.822 108 A HN 0.355 nan 8.150 nan 0.000 0.443 109 D N -0.130 120.271 120.400 0.001 0.000 2.149 109 D HA 0.044 4.685 4.640 0.001 0.000 0.201 109 D C 2.186 178.487 176.300 0.001 0.000 0.972 109 D CA 1.331 55.326 54.000 -0.008 0.000 0.835 109 D CB -0.442 40.324 40.800 -0.057 0.000 0.966 109 D HN 0.412 nan 8.370 nan 0.000 0.476 110 A N 1.058 123.838 122.820 -0.066 0.000 1.933 110 A HA -0.219 4.101 4.320 0.001 0.000 0.218 110 A C 1.975 179.666 177.584 0.177 0.000 1.175 110 A CA 1.528 53.544 52.037 -0.036 0.000 0.628 110 A CB -0.749 18.020 19.000 -0.384 0.000 0.814 110 A HN 0.295 nan 8.150 nan 0.000 0.444 111 N N -0.814 118.004 118.700 0.197 0.000 2.080 111 N HA -0.152 4.589 4.740 0.001 0.000 0.189 111 N C 1.680 177.332 175.510 0.238 0.000 1.036 111 N CA 1.983 55.217 53.050 0.308 0.000 0.846 111 N CB -0.206 38.512 38.487 0.385 0.000 1.015 111 N HN 0.369 nan 8.380 nan 0.000 0.423 112 T N 1.737 116.393 114.554 0.170 0.000 2.684 112 T HA -0.087 4.263 4.350 0.001 0.000 0.267 112 T C 1.969 176.738 174.700 0.114 0.000 1.036 112 T CA 1.121 63.292 62.100 0.119 0.000 1.148 112 T CB -0.168 68.748 68.868 0.080 0.000 0.863 112 T HN 0.204 nan 8.240 nan 0.000 0.436 113 L N -0.904 120.388 121.223 0.115 0.000 2.240 113 L HA 0.108 4.449 4.340 0.001 0.000 0.211 113 L C 2.423 179.388 176.870 0.158 0.000 1.106 113 L CA 0.560 55.465 54.840 0.109 0.000 0.793 113 L CB -0.068 42.038 42.059 0.079 0.000 0.927 113 L HN 0.465 nan 8.230 nan 0.000 0.446 114 C N -2.676 116.759 119.300 0.225 0.000 3.166 114 C HA 0.129 4.589 4.460 0.001 0.000 0.354 114 C C 0.171 175.425 174.990 0.440 0.000 2.030 114 C CA -0.520 58.688 59.018 0.315 0.000 1.866 114 C CB -0.051 27.866 27.740 0.295 0.000 2.020 114 C HN 0.309 nan 8.230 nan 0.000 0.618 115 Y N 4.661 125.169 120.300 0.345 0.000 2.751 115 Y HA 0.552 5.102 4.550 0.001 0.000 0.333 115 Y C -0.145 176.000 175.900 0.407 0.000 1.122 115 Y CA 0.220 58.579 58.100 0.430 0.000 1.367 115 Y CB -0.424 38.197 38.460 0.268 0.000 1.242 115 Y HN 0.735 nan 8.280 nan 0.000 0.505 116 N N 0.142 118.983 118.700 0.234 0.000 2.774 116 N HA 0.183 4.923 4.740 0.001 0.000 0.264 116 N C -0.389 175.049 175.510 -0.119 0.000 1.415 116 N CA -0.683 52.436 53.050 0.114 0.000 0.815 116 N CB 0.474 39.026 38.487 0.108 0.000 1.514 116 N HN 0.188 nan 8.380 nan 0.000 0.523 117 D N -0.942 119.313 120.400 -0.241 0.000 2.363 117 D HA -0.043 4.597 4.640 0.001 0.000 0.226 117 D C 0.416 176.156 176.300 -0.934 0.000 1.020 117 D CA 0.524 54.145 54.000 -0.632 0.000 0.892 117 D CB -0.047 40.556 40.800 -0.329 0.000 0.900 117 D HN 0.566 nan 8.370 nan 0.000 0.531 118 R N -0.738 119.453 120.500 -0.515 0.000 2.397 118 R HA 0.150 4.491 4.340 0.001 0.000 0.241 118 R C 0.194 176.350 176.300 -0.240 0.000 0.914 118 R CA -0.405 55.471 56.100 -0.374 0.000 1.071 118 R CB 0.445 30.640 30.300 -0.175 0.000 1.116 118 R HN -0.093 nan 8.270 nan 0.000 0.524 119 K N 2.138 122.423 120.400 -0.191 0.000 2.201 119 K HA 0.084 4.404 4.320 0.001 0.000 0.278 119 K C -0.648 176.011 176.600 0.097 0.000 1.027 119 K CA -0.367 55.945 56.287 0.042 0.000 0.909 119 K CB 1.099 33.741 32.500 0.237 0.000 1.062 119 K HN -0.090 nan 8.250 nan 0.000 0.465 120 E N 3.133 123.334 120.200 0.001 0.000 2.354 120 E HA 0.020 4.371 4.350 0.001 0.000 0.269 120 E C -0.753 175.669 176.600 -0.296 0.000 1.036 120 E CA -0.293 56.067 56.400 -0.067 0.000 0.876 120 E CB 0.600 30.262 29.700 -0.064 0.000 1.009 120 E HN 0.605 nan 8.360 nan 0.000 0.416 121 E N 1.771 121.719 120.200 -0.420 0.000 2.452 121 E HA 0.062 4.412 4.350 0.001 0.000 0.261 121 E C -0.852 175.437 176.600 -0.517 0.000 0.987 121 E CA 0.107 55.885 56.400 -1.036 0.000 0.926 121 E CB 1.105 30.393 29.700 -0.687 0.000 0.934 121 E HN 0.193 nan 8.360 nan 0.000 0.452 122 V N 2.504 122.217 119.914 -0.334 0.000 2.577 122 V HA 0.563 4.684 4.120 0.001 0.000 0.303 122 V C 0.581 176.918 176.094 0.405 0.000 1.042 122 V CA 0.163 62.532 62.300 0.115 0.000 0.872 122 V CB 1.153 33.087 31.823 0.185 0.000 0.998 122 V HN 1.045 nan 8.190 nan 0.000 0.423 123 G N 4.731 113.700 108.800 0.282 0.000 2.512 123 G HA2 -0.238 3.722 3.960 0.001 0.000 0.240 123 G HA3 -0.238 3.722 3.960 0.001 0.000 0.240 123 G C -0.080 175.035 174.900 0.359 0.000 1.246 123 G CA 0.160 45.439 45.100 0.298 0.000 0.919 123 G HN 0.989 nan 8.290 nan 0.000 0.577 124 N N 1.976 120.865 118.700 0.314 0.000 2.438 124 N HA 0.079 4.819 4.740 0.001 0.000 0.267 124 N C 1.783 177.505 175.510 0.353 0.000 1.222 124 N CA 0.355 53.564 53.050 0.265 0.000 0.930 124 N CB -0.059 38.511 38.487 0.139 0.000 1.083 124 N HN 0.752 nan 8.380 nan 0.000 0.476 125 W N 3.798 125.321 121.300 0.371 0.000 2.325 125 W HA -0.188 4.473 4.660 0.000 0.000 0.299 125 W C 1.308 178.079 176.519 0.421 0.000 1.215 125 W CA 0.154 57.753 57.345 0.424 0.000 1.244 125 W CB -1.267 28.440 29.460 0.411 0.000 1.140 125 W HN 0.692 nan 8.180 nan 0.000 0.523 126 W N 2.638 123.203 121.300 -1.226 0.000 2.363 126 W HA -0.198 4.462 4.660 0.001 0.000 0.296 126 W C 2.696 178.909 176.519 -0.509 0.000 1.212 126 W CA 3.387 59.961 57.345 -1.284 0.000 1.260 126 W CB -0.501 28.268 29.460 -1.151 0.000 1.131 126 W HN -0.210 nan 8.180 nan 0.000 0.530 127 S N -0.183 115.486 115.700 -0.051 0.000 2.370 127 S HA -0.264 4.206 4.470 0.001 0.000 0.226 127 S C 1.184 175.482 174.600 -0.503 0.000 1.033 127 S CA 1.932 59.975 58.200 -0.261 0.000 1.011 127 S CB -0.850 62.127 63.200 -0.371 0.000 0.852 127 S HN 0.498 nan 8.310 nan 0.000 0.457 128 W N 1.456 122.645 121.300 -0.185 0.000 2.576 128 W HA 0.154 4.814 4.660 0.001 0.000 0.270 128 W C 2.244 178.666 176.519 -0.162 0.000 1.255 128 W CA 0.119 57.314 57.345 -0.251 0.000 1.314 128 W CB -0.070 29.163 29.460 -0.378 0.000 1.101 128 W HN 0.327 nan 8.180 nan 0.000 0.595 129 E N -1.051 119.183 120.200 0.057 0.000 2.413 129 E HA 0.135 4.485 4.350 0.001 0.000 0.203 129 E C 1.698 178.200 176.600 -0.162 0.000 0.957 129 E CA 0.519 56.981 56.400 0.105 0.000 0.950 129 E CB 0.353 30.268 29.700 0.359 0.000 0.957 129 E HN 0.266 nan 8.360 nan 0.000 0.497 130 I N -0.499 119.730 120.570 -0.568 0.000 3.873 130 I HA 0.110 4.280 4.170 0.001 0.000 0.284 130 I C 2.256 177.810 176.117 -0.938 0.000 1.186 130 I CA 0.397 61.206 61.300 -0.820 0.000 1.362 130 I CB 0.117 37.330 38.000 -1.311 0.000 1.432 130 I HN 0.051 nan 8.210 nan 0.000 0.454 131 G N 1.164 109.197 108.800 -1.278 0.000 2.433 131 G HA2 -0.167 3.794 3.960 0.001 0.000 0.216 131 G HA3 -0.167 3.794 3.960 0.001 0.000 0.216 131 G C 1.602 176.199 174.900 -0.505 0.000 1.186 131 G CA 1.162 45.765 45.100 -0.829 0.000 0.779 131 G HN 0.158 nan 8.290 nan 0.000 0.543 132 V N 1.860 121.418 119.914 -0.593 0.000 2.283 132 V HA -0.052 4.068 4.120 0.001 0.000 0.243 132 V C 0.296 176.012 176.094 -0.630 0.000 1.039 132 V CA 1.966 63.789 62.300 -0.794 0.000 1.016 132 V CB -0.932 30.016 31.823 -1.459 0.000 0.650 132 V HN 0.253 nan 8.190 nan 0.000 0.449 133 P HA -0.161 nan 4.420 nan 0.000 0.216 133 P C 1.688 178.887 177.300 -0.169 0.000 1.153 133 P CA 1.523 64.495 63.100 -0.213 0.000 0.858 133 P CB -0.106 31.550 31.700 -0.073 0.000 0.789 134 R N -0.664 119.729 120.500 -0.180 0.000 2.081 134 R HA -0.065 4.276 4.340 0.001 0.000 0.235 134 R C 2.269 178.553 176.300 -0.027 0.000 1.131 134 R CA 1.614 57.668 56.100 -0.077 0.000 0.960 134 R CB -0.970 29.288 30.300 -0.069 0.000 0.856 134 R HN 0.173 nan 8.270 nan 0.000 0.436 135 A N 0.944 123.712 122.820 -0.087 0.000 1.898 135 A HA -0.091 4.230 4.320 0.001 0.000 0.214 135 A C 2.035 179.621 177.584 0.005 0.000 1.183 135 A CA 0.714 52.742 52.037 -0.015 0.000 0.622 135 A CB -0.340 18.652 19.000 -0.013 0.000 0.824 135 A HN 0.219 nan 8.150 nan 0.000 0.444 136 L N -0.091 121.062 121.223 -0.116 0.000 2.056 136 L HA 0.013 4.353 4.340 0.001 0.000 0.207 136 L C 2.576 179.456 176.870 0.017 0.000 1.078 136 L CA 2.092 56.884 54.840 -0.081 0.000 0.749 136 L CB -0.834 41.026 42.059 -0.331 0.000 0.901 136 L HN 0.324 nan 8.230 nan 0.000 0.433 137 A N -0.647 122.179 122.820 0.010 0.000 1.883 137 A HA -0.230 4.090 4.320 0.001 0.000 0.217 137 A C 2.022 179.683 177.584 0.128 0.000 1.186 137 A CA 1.933 54.004 52.037 0.056 0.000 0.624 137 A CB -0.906 18.096 19.000 0.003 0.000 0.822 137 A HN 0.521 nan 8.150 nan 0.000 0.444 138 D N 0.010 120.517 120.400 0.178 0.000 2.104 138 D HA -0.079 4.561 4.640 0.001 0.000 0.194 138 D C 2.249 178.688 176.300 0.231 0.000 0.994 138 D CA 1.645 55.827 54.000 0.303 0.000 0.830 138 D CB -0.475 40.495 40.800 0.283 0.000 0.959 138 D HN 0.419 nan 8.370 nan 0.000 0.452 139 A N 0.514 123.431 122.820 0.160 0.000 1.933 139 A HA -0.161 4.159 4.320 0.001 0.000 0.218 139 A C 2.280 179.956 177.584 0.153 0.000 1.175 139 A CA 1.284 53.402 52.037 0.136 0.000 0.628 139 A CB -0.516 18.540 19.000 0.092 0.000 0.814 139 A HN 0.164 nan 8.150 nan 0.000 0.444 140 M N -0.827 118.878 119.600 0.174 0.000 2.117 140 M HA -0.141 4.340 4.480 0.001 0.000 0.262 140 M C 2.125 178.569 176.300 0.241 0.000 1.065 140 M CA 1.470 56.894 55.300 0.206 0.000 1.114 140 M CB -0.440 32.289 32.600 0.215 0.000 1.361 140 M HN 0.280 nan 8.290 nan 0.000 0.408 141 V N 0.635 120.698 119.914 0.247 0.000 2.358 141 V HA -0.238 3.882 4.120 0.001 0.000 0.246 141 V C 2.279 178.554 176.094 0.301 0.000 1.047 141 V CA 1.477 63.945 62.300 0.280 0.000 1.035 141 V CB -0.593 31.404 31.823 0.291 0.000 0.658 141 V HN 0.440 nan 8.190 nan 0.000 0.452 142 L N -0.571 120.824 121.223 0.287 0.000 2.042 142 L HA -0.164 4.177 4.340 0.001 0.000 0.210 142 L C 1.845 178.906 176.870 0.318 0.000 1.076 142 L CA 1.540 56.559 54.840 0.297 0.000 0.749 142 L CB -0.305 41.911 42.059 0.263 0.000 0.893 142 L HN 0.305 nan 8.230 nan 0.000 0.432 143 L N -1.705 119.638 121.223 0.200 0.000 2.791 143 L HA 0.034 4.375 4.340 0.001 0.000 0.239 143 L C 1.760 178.707 176.870 0.129 0.000 1.203 143 L CA -0.222 54.664 54.840 0.077 0.000 1.002 143 L CB -0.474 41.541 42.059 -0.074 0.000 1.295 143 L HN 0.203 nan 8.230 nan 0.000 0.504 144 H N 1.544 120.692 119.070 0.129 0.000 2.353 144 H HA -0.188 4.369 4.556 0.001 0.000 0.298 144 H C 2.179 177.562 175.328 0.092 0.000 1.103 144 H CA 1.873 57.984 56.048 0.105 0.000 1.293 144 H CB 0.425 30.258 29.762 0.120 0.000 1.372 144 H HN 0.379 nan 8.280 nan 0.000 0.501 145 A N -0.012 122.935 122.820 0.212 0.000 2.172 145 A HA -0.073 4.248 4.320 0.001 0.000 0.216 145 A C 1.804 179.427 177.584 0.065 0.000 1.154 145 A CA 1.491 53.617 52.037 0.148 0.000 0.701 145 A CB 0.011 19.134 19.000 0.206 0.000 0.789 145 A HN 0.488 nan 8.150 nan 0.000 0.465 146 E N -0.910 119.303 120.200 0.021 0.000 2.399 146 E HA 0.234 4.584 4.350 0.001 0.000 0.205 146 E C 0.207 176.763 176.600 -0.074 0.000 0.906 146 E CA -0.062 56.317 56.400 -0.035 0.000 0.998 146 E CB -0.006 29.620 29.700 -0.122 0.000 1.002 146 E HN 0.526 nan 8.360 nan 0.000 0.501 147 L N 2.371 123.540 121.223 -0.088 0.000 2.395 147 L HA 0.140 4.481 4.340 0.001 0.000 0.269 147 L C 0.976 177.769 176.870 -0.128 0.000 1.133 147 L CA -0.414 54.371 54.840 -0.093 0.000 0.812 147 L CB 0.888 42.908 42.059 -0.064 0.000 1.125 147 L HN -0.004 nan 8.230 nan 0.000 0.452 148 S N 1.319 116.946 115.700 -0.120 0.000 2.645 148 S HA 0.355 4.825 4.470 0.001 0.000 0.266 148 S C 1.049 175.560 174.600 -0.147 0.000 1.258 148 S CA -0.180 57.948 58.200 -0.120 0.000 0.990 148 S CB 1.491 64.631 63.200 -0.101 0.000 0.967 148 S HN 0.688 nan 8.310 nan 0.000 0.556 149 A N 1.194 123.941 122.820 -0.121 0.000 1.908 149 A HA 0.113 4.433 4.320 0.001 0.000 0.218 149 A C 2.376 179.883 177.584 -0.128 0.000 1.181 149 A CA 1.899 53.868 52.037 -0.113 0.000 0.627 149 A CB -1.707 17.246 19.000 -0.077 0.000 0.818 149 A HN 1.340 nan 8.150 nan 0.000 0.445 150 A N -0.456 122.288 122.820 -0.127 0.000 1.930 150 A HA -0.132 4.188 4.320 0.001 0.000 0.217 150 A C 1.916 179.362 177.584 -0.229 0.000 1.175 150 A CA 1.590 53.544 52.037 -0.139 0.000 0.627 150 A CB -0.463 18.472 19.000 -0.108 0.000 0.815 150 A HN 0.634 nan 8.150 nan 0.000 0.443 151 E N -0.501 119.524 120.200 -0.292 0.000 2.051 151 E HA -0.185 4.165 4.350 0.001 0.000 0.192 151 E C 2.342 178.534 176.600 -0.681 0.000 0.991 151 E CA 1.095 57.144 56.400 -0.585 0.000 0.799 151 E CB -0.160 29.288 29.700 -0.419 0.000 0.748 151 E HN 0.505 nan 8.360 nan 0.000 0.449 152 R N 0.038 120.342 120.500 -0.327 0.000 2.091 152 R HA -0.127 4.213 4.340 0.001 0.000 0.238 152 R C 2.457 178.677 176.300 -0.133 0.000 1.136 152 R CA 1.746 57.746 56.100 -0.166 0.000 0.959 152 R CB -0.380 29.864 30.300 -0.093 0.000 0.856 152 R HN 0.148 nan 8.270 nan 0.000 0.437 153 T N 0.585 115.051 114.554 -0.147 0.000 2.708 153 T HA -0.157 4.193 4.350 0.001 0.000 0.266 153 T C 1.859 176.514 174.700 -0.076 0.000 1.037 153 T CA 1.472 63.517 62.100 -0.091 0.000 1.146 153 T CB -0.240 68.576 68.868 -0.088 0.000 0.865 153 T HN 0.407 nan 8.240 nan 0.000 0.435 154 A N 0.637 123.365 122.820 -0.153 0.000 1.877 154 A HA -0.088 4.233 4.320 0.001 0.000 0.216 154 A C 2.068 179.742 177.584 0.149 0.000 1.186 154 A CA 1.457 53.459 52.037 -0.059 0.000 0.620 154 A CB -0.878 18.046 19.000 -0.126 0.000 0.822 154 A HN 0.535 nan 8.150 nan 0.000 0.443 155 Y N -0.554 119.795 120.300 0.082 0.000 2.243 155 Y HA -0.119 4.432 4.550 0.001 0.000 0.293 155 Y C 2.881 178.852 175.900 0.119 0.000 1.124 155 Y CA -0.059 58.118 58.100 0.128 0.000 1.159 155 Y CB -1.620 36.910 38.460 0.117 0.000 1.008 155 Y HN 0.363 nan 8.280 nan 0.000 0.527 156 C N 0.075 119.502 119.300 0.213 0.000 2.413 156 C HA -0.157 4.304 4.460 0.001 0.000 0.277 156 C C 3.038 178.098 174.990 0.116 0.000 1.265 156 C CA 1.075 60.171 59.018 0.130 0.000 1.752 156 C CB -1.520 26.255 27.740 0.058 0.000 1.998 156 C HN 0.594 nan 8.230 nan 0.000 0.489 157 A N 0.427 123.303 122.820 0.093 0.000 1.930 157 A HA 0.119 4.439 4.320 0.001 0.000 0.217 157 A C 2.358 179.991 177.584 0.081 0.000 1.175 157 A CA 1.933 54.004 52.037 0.056 0.000 0.627 157 A CB -0.801 18.205 19.000 0.011 0.000 0.815 157 A HN 0.562 nan 8.150 nan 0.000 0.443 158 A N 0.164 123.078 122.820 0.157 0.000 1.877 158 A HA -0.105 4.215 4.320 0.001 0.000 0.216 158 A C 2.126 179.885 177.584 0.291 0.000 1.186 158 A CA 1.562 53.711 52.037 0.186 0.000 0.620 158 A CB -0.640 18.569 19.000 0.347 0.000 0.822 158 A HN 0.483 nan 8.150 nan 0.000 0.443 159 I N -0.020 120.763 120.570 0.356 0.000 2.163 159 I HA -0.255 3.915 4.170 0.001 0.000 0.243 159 I C 1.717 177.967 176.117 0.222 0.000 1.085 159 I CA 1.628 63.136 61.300 0.346 0.000 1.347 159 I CB -0.474 37.663 38.000 0.229 0.000 1.044 159 I HN 0.268 nan 8.210 nan 0.000 0.408 160 D N -0.606 119.873 120.400 0.133 0.000 2.219 160 D HA -0.213 4.428 4.640 0.001 0.000 0.205 160 D C 1.923 178.239 176.300 0.026 0.000 0.970 160 D CA 1.166 55.207 54.000 0.067 0.000 0.851 160 D CB -0.362 40.459 40.800 0.036 0.000 0.943 160 D HN 0.455 nan 8.370 nan 0.000 0.488 161 H N -0.206 118.783 119.070 -0.135 0.000 2.353 161 H HA -0.076 4.480 4.556 0.001 0.000 0.300 161 H C 1.700 176.794 175.328 -0.390 0.000 1.090 161 H CA 1.525 57.372 56.048 -0.336 0.000 1.327 161 H CB -0.483 28.954 29.762 -0.542 0.000 1.383 161 H HN 0.091 nan 8.280 nan 0.000 0.508 162 F N -0.638 119.219 119.950 -0.156 0.000 2.293 162 F HA 0.106 4.634 4.527 0.001 0.000 0.297 162 F C 0.733 176.518 175.800 -0.026 0.000 1.089 162 F CA 0.401 58.319 58.000 -0.138 0.000 1.377 162 F CB 0.609 39.644 39.000 0.058 0.000 1.051 162 F HN -0.032 nan 8.300 nan 0.000 0.511 163 V N 1.787 121.796 119.914 0.158 0.000 2.384 163 V HA 0.155 4.275 4.120 0.001 0.000 0.257 163 V C -1.732 174.400 176.094 0.064 0.000 0.969 163 V CA -0.959 61.416 62.300 0.125 0.000 0.910 163 V CB 0.733 32.647 31.823 0.151 0.000 1.150 163 V HN -0.068 nan 8.190 nan 0.000 0.481 164 P HA 0.019 nan 4.420 nan 0.000 0.223 164 P C 0.174 177.469 177.300 -0.008 0.000 1.151 164 P CA 1.135 64.228 63.100 -0.013 0.000 0.787 164 P CB 0.666 32.338 31.700 -0.047 0.000 0.788 165 D N -0.532 119.886 120.400 0.030 0.000 2.470 165 D HA 0.133 4.773 4.640 0.001 0.000 0.233 165 D C -2.210 174.185 176.300 0.159 0.000 1.372 165 D CA -2.022 52.021 54.000 0.071 0.000 0.994 165 D CB 1.499 42.301 40.800 0.003 0.000 1.377 165 D HN -0.122 nan 8.370 nan 0.000 0.586 166 P HA -0.006 nan 4.420 nan 0.000 0.234 166 P C 0.886 178.346 177.300 0.267 0.000 1.167 166 P CA 0.261 63.485 63.100 0.206 0.000 0.763 166 P CB 0.051 31.856 31.700 0.176 0.000 0.835 167 W N 0.291 121.580 121.300 -0.018 0.000 2.825 167 W HA 0.166 4.827 4.660 0.001 0.000 0.243 167 W C 1.080 177.551 176.519 -0.081 0.000 1.293 167 W CA 0.287 57.591 57.345 -0.068 0.000 1.403 167 W CB -0.813 28.623 29.460 -0.039 0.000 1.134 167 W HN -0.093 nan 8.180 nan 0.000 0.666 168 L N 0.244 121.551 121.223 0.140 0.000 2.279 168 L HA 0.529 4.869 4.340 0.001 0.000 0.262 168 L C 0.039 176.847 176.870 -0.102 0.000 1.019 168 L CA -1.132 53.700 54.840 -0.014 0.000 0.823 168 L CB 1.877 43.934 42.059 -0.003 0.000 1.358 168 L HN -0.170 nan 8.230 nan 0.000 0.432 169 Q N 0.462 120.085 119.800 -0.294 0.000 2.511 169 Q HA 0.722 5.062 4.340 0.001 0.000 0.289 169 Q C -1.262 174.429 176.000 -0.515 0.000 1.021 169 Q CA -0.857 54.684 55.803 -0.437 0.000 0.785 169 Q CB 2.809 31.038 28.738 -0.849 0.000 1.472 169 Q HN 0.514 nan 8.270 nan 0.000 0.411 170 F N -1.714 118.092 119.950 -0.240 0.000 2.183 170 F HA -0.117 4.411 4.527 0.000 0.000 0.318 170 F C -2.490 173.293 175.800 -0.028 0.000 1.293 170 F CA -0.813 57.085 58.000 -0.169 0.000 0.912 170 F CB -0.650 38.194 39.000 -0.259 0.000 4.134 170 F HN 0.585 nan 8.300 nan 0.000 0.138 171 P HA 0.133 nan 4.420 nan 0.000 0.274 171 P C -2.447 174.873 177.300 0.034 0.000 1.237 171 P CA -1.076 62.077 63.100 0.087 0.000 0.793 171 P CB 0.801 32.529 31.700 0.047 0.000 0.977 172 P HA -0.119 nan 4.420 nan 0.000 0.216 172 P C 1.343 178.633 177.300 -0.018 0.000 1.150 172 P CA 1.972 65.062 63.100 -0.018 0.000 0.843 172 P CB -0.117 31.559 31.700 -0.040 0.000 0.787 173 K N -0.947 119.437 120.400 -0.027 0.000 2.360 173 K HA -0.122 4.199 4.320 0.001 0.000 0.201 173 K C 2.163 178.738 176.600 -0.042 0.000 1.046 173 K CA 0.771 57.038 56.287 -0.032 0.000 0.945 173 K CB -0.122 32.357 32.500 -0.035 0.000 0.750 173 K HN 0.044 nan 8.250 nan 0.000 0.464 174 R N -0.057 120.414 120.500 -0.047 0.000 2.206 174 R HA 0.026 4.366 4.340 0.001 0.000 0.198 174 R C -0.255 176.020 176.300 -0.043 0.000 0.986 174 R CA 0.732 56.775 56.100 -0.095 0.000 1.029 174 R CB 0.650 30.821 30.300 -0.215 0.000 0.966 174 R HN 0.179 nan 8.270 nan 0.000 0.487 175 G N 1.995 110.799 108.800 0.008 0.000 3.409 175 G HA2 -0.181 3.779 3.960 0.001 0.000 0.686 175 G HA3 -0.181 3.779 3.960 0.001 0.000 0.686 175 G C -1.360 173.602 174.900 0.102 0.000 1.017 175 G CA -0.650 44.469 45.100 0.032 0.000 0.854 175 G HN 0.194 nan 8.290 nan 0.000 0.508 176 K N 1.517 121.953 120.400 0.060 0.000 2.172 176 K HA 0.707 5.027 4.320 0.001 0.000 0.276 176 K C 1.071 177.655 176.600 -0.027 0.000 1.013 176 K CA -0.458 55.849 56.287 0.034 0.000 0.913 176 K CB 1.566 34.062 32.500 -0.008 0.000 1.055 176 K HN 0.730 nan 8.250 nan 0.000 0.461 177 I N -2.197 118.277 120.570 -0.160 0.000 3.067 177 I HA 0.382 4.552 4.170 0.001 0.000 0.312 177 I C -0.195 175.792 176.117 -0.217 0.000 1.073 177 I CA -0.963 60.233 61.300 -0.173 0.000 1.016 177 I CB 1.960 39.843 38.000 -0.194 0.000 1.227 177 I HN 0.270 nan 8.210 nan 0.000 0.456 178 T N 2.830 117.298 114.554 -0.144 0.000 2.867 178 T HA 0.140 4.490 4.350 0.001 0.000 0.297 178 T C 0.405 174.987 174.700 -0.197 0.000 0.989 178 T CA -0.080 61.951 62.100 -0.116 0.000 1.159 178 T CB -0.001 68.818 68.868 -0.081 0.000 0.928 178 T HN 0.753 nan 8.240 nan 0.000 0.538 179 S N 2.580 118.175 115.700 -0.174 0.000 2.565 179 S HA 0.588 5.058 4.470 0.001 0.000 0.276 179 S C 0.073 174.580 174.600 -0.155 0.000 1.326 179 S CA -0.917 57.171 58.200 -0.186 0.000 1.045 179 S CB 0.807 63.936 63.200 -0.118 0.000 0.918 179 S HN 0.758 nan 8.310 nan 0.000 0.505 180 V N -0.470 119.369 119.914 -0.124 0.000 3.040 180 V HA 0.951 5.071 4.120 0.001 0.000 0.312 180 V C 0.825 176.893 176.094 -0.043 0.000 1.115 180 V CA -0.061 62.172 62.300 -0.112 0.000 0.998 180 V CB 0.545 32.298 31.823 -0.117 0.000 1.042 180 V HN 1.809 nan 8.190 nan 0.000 0.433 181 G N 2.228 111.017 108.800 -0.019 0.000 2.611 181 G HA2 -0.103 3.857 3.960 0.001 0.000 0.301 181 G HA3 -0.103 3.857 3.960 0.001 0.000 0.301 181 G C 1.186 176.163 174.900 0.128 0.000 1.233 181 G CA 1.564 46.745 45.100 0.134 0.000 0.993 181 G HN 2.334 nan 8.290 nan 0.000 0.553 182 A N -0.527 122.427 122.820 0.225 0.000 1.940 182 A HA -0.123 4.198 4.320 0.001 0.000 0.219 182 A C 2.229 179.926 177.584 0.189 0.000 1.176 182 A CA 2.565 54.727 52.037 0.208 0.000 0.631 182 A CB -0.541 18.667 19.000 0.347 0.000 0.814 182 A HN 0.682 nan 8.150 nan 0.000 0.446 183 N N -0.517 118.299 118.700 0.194 0.000 2.142 183 N HA -0.148 4.592 4.740 0.001 0.000 0.186 183 N C 1.848 177.424 175.510 0.110 0.000 1.023 183 N CA 1.534 54.724 53.050 0.232 0.000 0.852 183 N CB -0.423 38.236 38.487 0.287 0.000 0.998 183 N HN 0.538 nan 8.380 nan 0.000 0.424 184 R N 1.436 121.947 120.500 0.018 0.000 2.091 184 R HA -0.022 4.318 4.340 0.001 0.000 0.238 184 R C 1.913 178.179 176.300 -0.056 0.000 1.136 184 R CA 1.081 57.144 56.100 -0.061 0.000 0.959 184 R CB -0.790 29.412 30.300 -0.165 0.000 0.856 184 R HN -0.010 nan 8.270 nan 0.000 0.437 185 V N 1.202 121.093 119.914 -0.039 0.000 2.287 185 V HA -0.251 3.869 4.120 0.001 0.000 0.248 185 V C 1.823 177.916 176.094 -0.002 0.000 1.053 185 V CA 2.307 64.585 62.300 -0.037 0.000 1.027 185 V CB -0.621 31.175 31.823 -0.045 0.000 0.646 185 V HN 0.355 nan 8.190 nan 0.000 0.447 186 D N -0.107 120.314 120.400 0.034 0.000 2.144 186 D HA -0.094 4.546 4.640 0.001 0.000 0.199 186 D C 2.134 178.427 176.300 -0.012 0.000 0.984 186 D CA 1.150 55.164 54.000 0.022 0.000 0.834 186 D CB -0.163 40.667 40.800 0.050 0.000 0.955 186 D HN 0.345 nan 8.370 nan 0.000 0.465 187 L N -0.027 121.203 121.223 0.013 0.000 2.056 187 L HA -0.153 4.188 4.340 0.001 0.000 0.207 187 L C 2.638 179.519 176.870 0.019 0.000 1.078 187 L CA 0.702 55.556 54.840 0.022 0.000 0.749 187 L CB -0.238 41.861 42.059 0.066 0.000 0.901 187 L HN 0.113 nan 8.230 nan 0.000 0.433 188 C N -0.807 118.497 119.300 0.008 0.000 2.425 188 C HA -0.179 4.281 4.460 0.001 0.000 0.277 188 C C 2.855 177.833 174.990 -0.020 0.000 1.280 188 C CA 0.795 59.815 59.018 0.004 0.000 1.744 188 C CB -0.749 26.978 27.740 -0.023 0.000 1.989 188 C HN 0.567 nan 8.230 nan 0.000 0.491 189 Q N 0.924 120.708 119.800 -0.026 0.000 2.050 189 Q HA -0.132 4.208 4.340 0.001 0.000 0.202 189 Q C 2.297 178.245 176.000 -0.085 0.000 0.980 189 Q CA 2.129 57.899 55.803 -0.055 0.000 0.840 189 Q CB -0.477 28.260 28.738 -0.002 0.000 0.898 189 Q HN 0.660 nan 8.270 nan 0.000 0.424 190 G N 1.230 109.997 108.800 -0.054 0.000 2.418 190 G HA2 -0.205 3.755 3.960 0.001 0.000 0.217 190 G HA3 -0.205 3.755 3.960 0.001 0.000 0.217 190 G C 1.402 176.274 174.900 -0.048 0.000 1.158 190 G CA 0.773 45.840 45.100 -0.056 0.000 0.771 190 G HN 0.330 nan 8.290 nan 0.000 0.545 191 I N 0.911 121.467 120.570 -0.023 0.000 2.315 191 I HA -0.019 4.151 4.170 0.001 0.000 0.248 191 I C 2.760 178.844 176.117 -0.055 0.000 1.117 191 I CA 0.589 61.884 61.300 -0.009 0.000 1.404 191 I CB -0.920 37.104 38.000 0.039 0.000 1.071 191 I HN 0.175 nan 8.210 nan 0.000 0.419 192 I N 0.437 120.952 120.570 -0.092 0.000 2.179 192 I HA -0.286 3.884 4.170 0.001 0.000 0.242 192 I C 2.400 178.383 176.117 -0.223 0.000 1.088 192 I CA 1.121 62.330 61.300 -0.153 0.000 1.357 192 I CB -0.169 37.731 38.000 -0.166 0.000 1.051 192 I HN 0.081 nan 8.210 nan 0.000 0.409 193 I N 0.438 120.835 120.570 -0.288 0.000 2.252 193 I HA -0.221 3.949 4.170 0.001 0.000 0.245 193 I C 2.586 178.608 176.117 -0.158 0.000 1.102 193 I CA 1.276 62.364 61.300 -0.355 0.000 1.385 193 I CB -1.474 36.251 38.000 -0.459 0.000 1.064 193 I HN 0.342 nan 8.210 nan 0.000 0.414 194 R N 1.321 121.768 120.500 -0.088 0.000 2.120 194 R HA -0.113 4.228 4.340 0.001 0.000 0.234 194 R C 1.945 178.215 176.300 -0.050 0.000 1.123 194 R CA 1.602 57.685 56.100 -0.028 0.000 0.975 194 R CB -0.262 30.042 30.300 0.008 0.000 0.866 194 R HN 0.256 nan 8.270 nan 0.000 0.446 195 S N 0.967 116.618 115.700 -0.081 0.000 2.453 195 S HA 0.041 4.511 4.470 0.001 0.000 0.231 195 S C 1.914 176.435 174.600 -0.132 0.000 1.005 195 S CA 0.611 58.749 58.200 -0.103 0.000 0.949 195 S CB 0.013 63.157 63.200 -0.094 0.000 0.774 195 S HN 0.289 nan 8.310 nan 0.000 0.510 196 L N 0.853 122.030 121.223 -0.077 0.000 2.095 196 L HA -0.003 4.338 4.340 0.001 0.000 0.204 196 L C 2.801 179.625 176.870 -0.077 0.000 1.080 196 L CA 1.077 55.921 54.840 0.006 0.000 0.759 196 L CB -0.726 41.332 42.059 -0.002 0.000 0.914 196 L HN 0.307 nan 8.230 nan 0.000 0.439 197 A N 0.418 123.223 122.820 -0.026 0.000 1.902 197 A HA -0.106 4.214 4.320 0.001 0.000 0.217 197 A C 2.239 179.854 177.584 0.052 0.000 1.181 197 A CA 1.803 53.894 52.037 0.091 0.000 0.623 197 A CB -1.048 18.036 19.000 0.140 0.000 0.818 197 A HN 0.433 nan 8.150 nan 0.000 0.443 198 G N -1.347 107.414 108.800 -0.065 0.000 3.042 198 G HA2 0.294 4.254 3.960 0.001 0.000 0.212 198 G HA3 0.294 4.254 3.960 0.001 0.000 0.212 198 G C 0.106 174.839 174.900 -0.277 0.000 1.166 198 G CA 0.394 45.428 45.100 -0.111 0.000 0.767 198 G HN 0.599 nan 8.290 nan 0.000 0.546 199 E N 0.690 120.547 120.200 -0.572 0.000 2.240 199 E HA -0.168 4.182 4.350 0.001 0.000 0.194 199 E C -1.058 175.103 176.600 -0.732 0.000 1.385 199 E CA 0.540 56.168 56.400 -1.286 0.000 0.686 199 E CB -0.915 28.218 29.700 -0.945 0.000 1.125 199 E HN 0.378 nan 8.360 nan 0.000 0.359 200 D N 0.656 120.784 120.400 -0.452 0.000 2.462 200 D HA 0.159 4.800 4.640 0.001 0.000 0.249 200 D C -1.517 174.812 176.300 0.048 0.000 1.117 200 D CA -2.289 51.635 54.000 -0.126 0.000 0.900 200 D CB 1.097 41.843 40.800 -0.091 0.000 1.039 200 D HN -0.029 nan 8.370 nan 0.000 0.516 201 P HA -0.071 nan 4.420 nan 0.000 0.221 201 P C 1.297 178.737 177.300 0.233 0.000 1.150 201 P CA 0.757 64.088 63.100 0.384 0.000 0.800 201 P CB 0.434 32.463 31.700 0.547 0.000 0.787 202 T N 0.426 115.065 114.554 0.141 0.000 2.737 202 T HA -0.082 4.268 4.350 0.001 0.000 0.265 202 T C 1.790 176.537 174.700 0.078 0.000 1.038 202 T CA 1.359 63.516 62.100 0.095 0.000 1.144 202 T CB -0.389 68.502 68.868 0.037 0.000 0.866 202 T HN 0.244 nan 8.240 nan 0.000 0.434 203 K N 0.715 121.142 120.400 0.044 0.000 2.097 203 K HA 0.075 4.395 4.320 0.001 0.000 0.205 203 K C 2.279 178.921 176.600 0.070 0.000 1.050 203 K CA 0.788 57.105 56.287 0.051 0.000 0.938 203 K CB -0.340 32.169 32.500 0.014 0.000 0.718 203 K HN 0.225 nan 8.250 nan 0.000 0.442 204 L N 1.416 122.644 121.223 0.008 0.000 2.017 204 L HA -0.226 4.114 4.340 0.001 0.000 0.208 204 L C 1.887 178.775 176.870 0.031 0.000 1.073 204 L CA 1.323 56.112 54.840 -0.084 0.000 0.745 204 L CB -0.263 41.566 42.059 -0.384 0.000 0.894 204 L HN 0.241 nan 8.230 nan 0.000 0.432 205 N N -0.808 117.980 118.700 0.148 0.000 2.104 205 N HA -0.277 4.463 4.740 0.001 0.000 0.190 205 N C 1.773 177.418 175.510 0.226 0.000 1.024 205 N CA 1.670 54.861 53.050 0.234 0.000 0.853 205 N CB -0.502 38.137 38.487 0.254 0.000 1.008 205 N HN 0.498 nan 8.380 nan 0.000 0.424 206 H N 0.600 119.734 119.070 0.107 0.000 2.357 206 H HA 0.119 4.676 4.556 0.001 0.000 0.301 206 H C 1.845 177.359 175.328 0.310 0.000 1.082 206 H CA 1.903 58.025 56.048 0.123 0.000 1.342 206 H CB -0.249 29.479 29.762 -0.056 0.000 1.389 206 H HN 0.197 nan 8.280 nan 0.000 0.511 207 A N 0.050 122.978 122.820 0.180 0.000 1.902 207 A HA -0.124 4.197 4.320 0.001 0.000 0.217 207 A C 2.667 180.299 177.584 0.080 0.000 1.181 207 A CA 1.721 53.832 52.037 0.124 0.000 0.623 207 A CB -0.968 18.081 19.000 0.082 0.000 0.818 207 A HN 0.339 nan 8.150 nan 0.000 0.443 208 V N -0.143 119.829 119.914 0.097 0.000 2.343 208 V HA -0.254 3.866 4.120 0.001 0.000 0.247 208 V C 3.022 179.163 176.094 0.078 0.000 1.051 208 V CA 1.907 64.268 62.300 0.102 0.000 1.036 208 V CB -1.206 30.702 31.823 0.142 0.000 0.654 208 V HN 0.615 nan 8.190 nan 0.000 0.451 209 A N 0.520 123.412 122.820 0.121 0.000 1.972 209 A HA -0.064 4.256 4.320 0.001 0.000 0.219 209 A C 2.363 179.863 177.584 -0.141 0.000 1.169 209 A CA 1.701 53.803 52.037 0.109 0.000 0.635 209 A CB -1.015 18.172 19.000 0.311 0.000 0.810 209 A HN 0.545 nan 8.150 nan 0.000 0.446 210 G N -0.183 108.485 108.800 -0.221 0.000 2.471 210 G HA2 -0.088 3.872 3.960 0.001 0.000 0.219 210 G HA3 -0.088 3.872 3.960 0.001 0.000 0.219 210 G C 1.418 175.918 174.900 -0.667 0.000 1.125 210 G CA 0.851 45.399 45.100 -0.921 0.000 0.775 210 G HN 0.469 nan 8.290 nan 0.000 0.548 211 L N 0.770 121.758 121.223 -0.391 0.000 2.131 211 L HA -0.081 4.259 4.340 0.001 0.000 0.210 211 L C 3.027 179.295 176.870 -1.003 0.000 1.092 211 L CA 0.914 55.500 54.840 -0.423 0.000 0.759 211 L CB -0.389 41.658 42.059 -0.021 0.000 0.903 211 L HN 0.135 nan 8.230 nan 0.000 0.435 212 S N -0.508 114.648 115.700 -0.906 0.000 2.400 212 S HA -0.248 4.222 4.470 0.001 0.000 0.232 212 S C 1.932 175.775 174.600 -1.262 0.000 1.025 212 S CA 1.200 58.675 58.200 -1.208 0.000 0.993 212 S CB -0.181 62.746 63.200 -0.455 0.000 0.808 212 S HN 0.363 nan 8.310 nan 0.000 0.478 213 Q N 1.257 120.529 119.800 -0.879 0.000 2.226 213 Q HA -0.074 4.267 4.340 0.001 0.000 0.204 213 Q C 2.049 177.689 176.000 -0.600 0.000 0.975 213 Q CA 1.374 56.787 55.803 -0.650 0.000 0.866 213 Q CB -0.464 27.947 28.738 -0.545 0.000 0.915 213 Q HN 0.560 nan 8.270 nan 0.000 0.440 214 V N -1.771 117.729 119.914 -0.689 0.000 2.970 214 V HA -0.039 4.082 4.120 0.001 0.000 0.260 214 V C 1.087 177.082 176.094 -0.166 0.000 1.100 214 V CA 1.276 63.367 62.300 -0.349 0.000 1.122 214 V CB -0.953 30.727 31.823 -0.238 0.000 0.721 214 V HN 0.571 nan 8.190 nan 0.000 0.483 215 W N -0.062 121.177 121.300 -0.102 0.000 2.966 215 W HA 0.577 5.237 4.660 0.001 0.000 0.406 215 W C 0.253 176.665 176.519 -0.179 0.000 1.027 215 W CA -1.213 56.077 57.345 -0.092 0.000 1.930 215 W CB -0.636 28.796 29.460 -0.047 0.000 1.144 215 W HN 0.020 nan 8.180 nan 0.000 0.626 216 Q N 1.493 121.190 119.800 -0.173 0.000 2.314 216 Q HA 0.089 4.430 4.340 0.001 0.000 0.258 216 Q C -0.512 175.439 176.000 -0.082 0.000 0.954 216 Q CA -0.555 55.181 55.803 -0.111 0.000 0.890 216 Q CB 0.669 29.322 28.738 -0.142 0.000 1.210 216 Q HN 0.379 nan 8.270 nan 0.000 0.410 217 Y N 0.767 121.078 120.300 0.019 0.000 2.610 217 Y HA 0.105 4.655 4.550 0.001 0.000 0.332 217 Y C 1.005 176.812 175.900 -0.156 0.000 1.201 217 Y CA -0.442 57.632 58.100 -0.044 0.000 1.465 217 Y CB 0.532 38.992 38.460 0.000 0.000 1.283 217 Y HN 0.342 nan 8.280 nan 0.000 0.563 218 V N -0.469 119.357 119.914 -0.148 0.000 2.919 218 V HA 0.538 4.658 4.120 0.001 0.000 0.316 218 V C 0.235 175.996 176.094 -0.555 0.000 1.077 218 V CA -0.277 61.802 62.300 -0.368 0.000 0.977 218 V CB 1.740 33.273 31.823 -0.485 0.000 1.039 218 V HN 0.842 nan 8.190 nan 0.000 0.441 219 T N -1.610 112.747 114.554 -0.328 0.000 3.044 219 T HA 0.453 4.803 4.350 0.001 0.000 0.260 219 T C 0.547 175.297 174.700 0.083 0.000 1.019 219 T CA 0.486 62.521 62.100 -0.108 0.000 0.921 219 T CB -0.429 68.445 68.868 0.010 0.000 1.053 219 T HN 1.640 nan 8.240 nan 0.000 0.533 220 S N -0.971 114.696 115.700 -0.055 0.000 2.643 220 S HA 0.725 5.196 4.470 0.001 0.000 0.270 220 S C 0.418 175.043 174.600 0.042 0.000 1.166 220 S CA -0.189 58.094 58.200 0.138 0.000 0.815 220 S CB 1.128 64.381 63.200 0.087 0.000 1.139 220 S HN 1.457 nan 8.310 nan 0.000 0.472 221 G N 1.027 109.887 108.800 0.100 0.000 2.569 221 G HA2 -0.066 3.894 3.960 0.001 0.000 0.259 221 G HA3 -0.066 3.894 3.960 0.001 0.000 0.259 221 G C -1.298 173.624 174.900 0.036 0.000 1.263 221 G CA 0.431 45.552 45.100 0.035 0.000 0.928 221 G HN 1.009 nan 8.290 nan 0.000 0.572 222 D N 1.439 121.801 120.400 -0.063 0.000 2.168 222 D HA 0.672 5.313 4.640 0.001 0.000 0.246 222 D C 0.819 176.993 176.300 -0.211 0.000 1.050 222 D CA 1.457 55.370 54.000 -0.146 0.000 0.857 222 D CB 1.023 41.732 40.800 -0.152 0.000 1.169 222 D HN 1.649 nan 8.370 nan 0.000 0.453 223 G N 0.486 109.088 108.800 -0.330 0.000 2.302 223 G HA2 0.017 3.977 3.960 0.001 0.000 0.276 223 G HA3 0.017 3.977 3.960 0.001 0.000 0.276 223 G C -1.250 173.646 174.900 -0.006 0.000 1.316 223 G CA -0.968 44.024 45.100 -0.179 0.000 0.988 223 G HN 0.413 nan 8.290 nan 0.000 0.479 224 I N 0.913 121.611 120.570 0.214 0.000 2.342 224 I HA 0.483 4.653 4.170 0.001 0.000 0.291 224 I C -0.264 176.031 176.117 0.297 0.000 1.010 224 I CA -0.372 61.158 61.300 0.384 0.000 1.308 224 I CB 0.819 39.033 38.000 0.356 0.000 1.400 224 I HN 0.255 nan 8.210 nan 0.000 0.488 225 F N 4.469 124.584 119.950 0.276 0.000 2.403 225 F HA 0.423 4.951 4.527 0.001 0.000 0.326 225 F C 1.638 177.535 175.800 0.162 0.000 1.081 225 F CA -0.561 57.562 58.000 0.205 0.000 1.041 225 F CB 0.799 39.862 39.000 0.105 0.000 1.234 225 F HN 0.341 nan 8.300 nan 0.000 0.503 226 R N 0.251 120.756 120.500 0.008 0.000 2.193 226 R HA -0.132 4.208 4.340 0.001 0.000 0.229 226 R C 1.017 177.294 176.300 -0.038 0.000 1.110 226 R CA 1.444 57.312 56.100 -0.387 0.000 0.988 226 R CB -0.374 29.628 30.300 -0.497 0.000 0.871 226 R HN 0.651 nan 8.270 nan 0.000 0.458 227 D N -1.034 119.437 120.400 0.118 0.000 2.349 227 D HA 0.020 4.660 4.640 0.001 0.000 0.224 227 D C 1.158 177.613 176.300 0.257 0.000 1.029 227 D CA 0.859 54.932 54.000 0.121 0.000 0.879 227 D CB 0.255 41.103 40.800 0.080 0.000 0.906 227 D HN 0.262 nan 8.370 nan 0.000 0.528 228 G N -0.558 108.447 108.800 0.342 0.000 2.213 228 G HA2 -0.276 3.685 3.960 0.001 0.000 0.236 228 G HA3 -0.276 3.685 3.960 0.001 0.000 0.236 228 G C 0.474 175.562 174.900 0.313 0.000 0.991 228 G CA 0.145 45.488 45.100 0.405 0.000 0.629 228 G HN 0.434 nan 8.290 nan 0.000 0.517 229 S N 0.067 115.971 115.700 0.341 0.000 2.566 229 S HA 0.498 4.968 4.470 0.001 0.000 0.280 229 S C -0.441 174.304 174.600 0.241 0.000 1.343 229 S CA 0.527 58.779 58.200 0.087 0.000 1.036 229 S CB 1.007 64.154 63.200 -0.088 0.000 0.866 229 S HN 0.953 nan 8.310 nan 0.000 0.526 230 F N 2.367 122.302 119.950 -0.025 0.000 2.536 230 F HA 0.625 5.153 4.527 0.000 0.000 0.322 230 F C -1.087 174.779 175.800 0.110 0.000 1.144 230 F CA -0.836 57.218 58.000 0.090 0.000 0.924 230 F CB 0.670 39.651 39.000 -0.032 0.000 1.181 230 F HN 0.399 nan 8.300 nan 0.000 0.438 231 I N 5.119 125.386 120.570 -0.506 0.000 2.474 231 I HA 0.440 4.610 4.170 0.001 0.000 0.294 231 I C -1.017 174.765 176.117 -0.559 0.000 1.005 231 I CA -0.844 60.275 61.300 -0.302 0.000 1.113 231 I CB 2.197 40.172 38.000 -0.041 0.000 1.289 231 I HN 0.574 nan 8.210 nan 0.000 0.436 232 Q N 3.489 123.170 119.800 -0.198 0.000 2.397 232 Q HA 0.418 4.758 4.340 0.001 0.000 0.275 232 Q C -0.653 175.300 176.000 -0.078 0.000 1.090 232 Q CA -0.376 55.254 55.803 -0.289 0.000 0.809 232 Q CB 1.216 29.613 28.738 -0.568 0.000 1.362 232 Q HN 0.632 nan 8.270 nan 0.000 0.431 233 H N 1.945 120.958 119.070 -0.094 0.000 2.903 233 H HA -0.239 4.318 4.556 0.001 0.000 0.285 233 H C 0.298 175.659 175.328 0.055 0.000 1.231 233 H CA 0.175 56.229 56.048 0.010 0.000 1.135 233 H CB -1.457 28.388 29.762 0.138 0.000 1.328 233 H HN 0.791 nan 8.280 nan 0.000 0.388 234 S N -2.431 113.341 115.700 0.120 0.000 1.998 234 S HA -0.323 4.147 4.470 0.001 0.000 0.225 234 S C 1.544 176.191 174.600 0.078 0.000 1.062 234 S CA 2.498 60.748 58.200 0.084 0.000 1.630 234 S CB -1.064 62.183 63.200 0.079 0.000 2.147 234 S HN 0.913 nan 8.310 nan 0.000 0.569 235 T N -2.162 112.449 114.554 0.095 0.000 3.209 235 T HA 0.466 4.816 4.350 0.001 0.000 0.295 235 T C -0.097 174.618 174.700 0.025 0.000 0.977 235 T CA 0.296 62.426 62.100 0.049 0.000 0.922 235 T CB 0.940 69.840 68.868 0.053 0.000 1.152 235 T HN 0.278 nan 8.240 nan 0.000 0.527 236 T N 4.431 119.008 114.554 0.038 0.000 2.812 236 T HA 0.526 4.876 4.350 0.001 0.000 0.282 236 T C -3.020 171.606 174.700 -0.124 0.000 0.990 236 T CA -1.457 60.597 62.100 -0.077 0.000 0.960 236 T CB 1.862 70.648 68.868 -0.136 0.000 0.948 236 T HN -0.072 nan 8.240 nan 0.000 0.438 237 P HA 0.158 nan 4.420 nan 0.000 0.267 237 P C -0.722 176.519 177.300 -0.098 0.000 1.209 237 P CA 0.226 63.255 63.100 -0.118 0.000 0.763 237 P CB 0.218 31.839 31.700 -0.132 0.000 0.816 238 Y N 0.559 120.913 120.300 0.089 0.000 2.830 238 Y HA 0.019 4.569 4.550 0.001 0.000 0.255 238 Y C 1.604 177.705 175.900 0.336 0.000 1.130 238 Y CA -0.123 58.113 58.100 0.227 0.000 1.217 238 Y CB 0.489 39.117 38.460 0.279 0.000 1.296 238 Y HN 0.209 nan 8.280 nan 0.000 0.571 239 T N -0.822 113.940 114.554 0.347 0.000 2.778 239 T HA -0.216 4.135 4.350 0.001 0.000 0.269 239 T C 2.027 176.792 174.700 0.109 0.000 1.050 239 T CA 1.764 63.922 62.100 0.096 0.000 1.137 239 T CB -0.308 68.439 68.868 -0.203 0.000 0.860 239 T HN 0.629 nan 8.240 nan 0.000 0.468 240 G N 0.389 109.250 108.800 0.101 0.000 2.623 240 G HA2 0.036 3.997 3.960 0.001 0.000 0.214 240 G HA3 0.036 3.997 3.960 0.001 0.000 0.214 240 G C 1.605 176.532 174.900 0.045 0.000 1.138 240 G CA 1.035 46.157 45.100 0.036 0.000 0.794 240 G HN 0.640 nan 8.290 nan 0.000 0.535 241 S N -1.309 114.460 115.700 0.116 0.000 3.597 241 S HA 0.148 4.618 4.470 0.001 0.000 0.206 241 S C 1.822 176.325 174.600 -0.162 0.000 0.948 241 S CA 0.031 58.197 58.200 -0.057 0.000 0.863 241 S CB -0.480 62.665 63.200 -0.091 0.000 1.015 241 S HN 0.122 nan 8.310 nan 0.000 0.616 242 Y N 2.925 123.151 120.300 -0.123 0.000 2.224 242 Y HA 0.096 4.646 4.550 0.001 0.000 0.289 242 Y C 2.886 178.761 175.900 -0.042 0.000 1.146 242 Y CA 1.187 59.228 58.100 -0.100 0.000 1.182 242 Y CB -0.794 37.553 38.460 -0.188 0.000 0.983 242 Y HN 0.535 nan 8.280 nan 0.000 0.524 243 G N -0.570 108.252 108.800 0.037 0.000 2.418 243 G HA2 -0.219 3.741 3.960 0.001 0.000 0.217 243 G HA3 -0.219 3.741 3.960 0.001 0.000 0.217 243 G C 1.717 176.622 174.900 0.010 0.000 1.158 243 G CA 1.320 46.193 45.100 -0.379 0.000 0.771 243 G HN 0.291 nan 8.290 nan 0.000 0.545 244 V N 0.442 120.366 119.914 0.017 0.000 2.515 244 V HA -0.130 3.990 4.120 0.001 0.000 0.250 244 V C 2.986 179.003 176.094 -0.129 0.000 1.058 244 V CA 1.174 63.395 62.300 -0.132 0.000 1.064 244 V CB -0.082 31.665 31.823 -0.127 0.000 0.675 244 V HN 0.244 nan 8.190 nan 0.000 0.461 245 V N -0.053 119.814 119.914 -0.077 0.000 2.343 245 V HA -0.286 3.834 4.120 0.001 0.000 0.247 245 V C 2.316 178.388 176.094 -0.036 0.000 1.051 245 V CA 2.330 64.607 62.300 -0.038 0.000 1.036 245 V CB -0.487 31.344 31.823 0.012 0.000 0.654 245 V HN 0.545 nan 8.190 nan 0.000 0.451 246 L N -0.490 120.708 121.223 -0.042 0.000 2.017 246 L HA -0.192 4.149 4.340 0.001 0.000 0.208 246 L C 2.366 179.151 176.870 -0.142 0.000 1.073 246 L CA 1.933 56.727 54.840 -0.077 0.000 0.745 246 L CB -0.262 41.746 42.059 -0.084 0.000 0.894 246 L HN 0.362 nan 8.230 nan 0.000 0.432 247 L N -0.705 120.440 121.223 -0.129 0.000 2.046 247 L HA -0.175 4.165 4.340 0.001 0.000 0.208 247 L C 2.324 179.120 176.870 -0.123 0.000 1.077 247 L CA 2.449 57.214 54.840 -0.126 0.000 0.747 247 L CB -0.935 40.786 42.059 -0.564 0.000 0.896 247 L HN 0.241 nan 8.230 nan 0.000 0.432 248 T N -0.352 114.119 114.554 -0.138 0.000 2.674 248 T HA -0.118 4.232 4.350 0.001 0.000 0.265 248 T C 1.658 176.332 174.700 -0.044 0.000 1.039 248 T CA 1.464 63.514 62.100 -0.083 0.000 1.150 248 T CB -0.945 67.882 68.868 -0.069 0.000 0.864 248 T HN 0.609 nan 8.240 nan 0.000 0.427 249 G N 0.968 109.739 108.800 -0.048 0.000 2.408 249 G HA2 -0.076 3.884 3.960 0.001 0.000 0.217 249 G HA3 -0.076 3.884 3.960 0.001 0.000 0.217 249 G C 1.515 176.374 174.900 -0.068 0.000 1.150 249 G CA 0.317 45.411 45.100 -0.009 0.000 0.776 249 G HN 0.428 nan 8.290 nan 0.000 0.542 250 L N 1.551 122.629 121.223 -0.243 0.000 2.093 250 L HA -0.088 4.253 4.340 0.001 0.000 0.208 250 L C 3.340 179.951 176.870 -0.431 0.000 1.085 250 L CA 1.391 55.910 54.840 -0.536 0.000 0.755 250 L CB -0.477 40.891 42.059 -1.151 0.000 0.904 250 L HN 0.443 nan 8.230 nan 0.000 0.435 251 S N 0.080 115.690 115.700 -0.150 0.000 2.370 251 S HA -0.231 4.239 4.470 0.001 0.000 0.226 251 S C 1.921 176.594 174.600 0.122 0.000 1.033 251 S CA 1.115 59.331 58.200 0.026 0.000 1.011 251 S CB -0.274 62.954 63.200 0.047 0.000 0.852 251 S HN 0.391 nan 8.310 nan 0.000 0.457 252 K N 1.045 121.523 120.400 0.129 0.000 2.062 252 K HA 0.161 4.482 4.320 0.001 0.000 0.205 252 K C 2.225 179.057 176.600 0.386 0.000 1.051 252 K CA 1.332 57.776 56.287 0.261 0.000 0.941 252 K CB -0.443 32.241 32.500 0.308 0.000 0.719 252 K HN 0.350 nan 8.250 nan 0.000 0.440 253 L N -0.043 121.357 121.223 0.296 0.000 2.056 253 L HA -0.102 4.238 4.340 0.001 0.000 0.207 253 L C 2.320 179.449 176.870 0.432 0.000 1.078 253 L CA 1.289 56.309 54.840 0.300 0.000 0.749 253 L CB -0.489 41.700 42.059 0.217 0.000 0.901 253 L HN 0.149 nan 8.230 nan 0.000 0.433 254 F N -0.457 119.600 119.950 0.178 0.000 2.095 254 F HA -0.320 4.208 4.527 0.001 0.000 0.298 254 F C 3.025 178.932 175.800 0.179 0.000 1.104 254 F CA 1.197 59.310 58.000 0.188 0.000 1.232 254 F CB -0.306 38.841 39.000 0.245 0.000 0.987 254 F HN 0.123 nan 8.300 nan 0.000 0.475 255 S N 0.573 116.507 115.700 0.390 0.000 2.355 255 S HA -0.198 4.272 4.470 0.001 0.000 0.222 255 S C 1.959 176.710 174.600 0.251 0.000 1.031 255 S CA 1.098 59.462 58.200 0.272 0.000 0.993 255 S CB -0.536 62.800 63.200 0.226 0.000 0.859 255 S HN 0.291 nan 8.310 nan 0.000 0.453 256 L N 1.356 122.764 121.223 0.308 0.000 2.042 256 L HA 0.067 4.407 4.340 0.001 0.000 0.210 256 L C 1.909 178.905 176.870 0.211 0.000 1.076 256 L CA 1.914 56.935 54.840 0.301 0.000 0.749 256 L CB -0.499 41.777 42.059 0.360 0.000 0.893 256 L HN 0.430 nan 8.230 nan 0.000 0.432 257 L N -0.566 120.778 121.223 0.202 0.000 2.529 257 L HA 0.251 4.592 4.340 0.001 0.000 0.223 257 L C 1.300 178.246 176.870 0.126 0.000 1.113 257 L CA 0.057 54.997 54.840 0.167 0.000 0.861 257 L CB -0.873 41.290 42.059 0.173 0.000 1.012 257 L HN 0.347 nan 8.230 nan 0.000 0.461 258 G N -0.295 108.580 108.800 0.125 0.000 2.305 258 G HA2 0.312 4.272 3.960 0.001 0.000 0.243 258 G HA3 0.312 4.272 3.960 0.001 0.000 0.243 258 G C 1.120 176.053 174.900 0.056 0.000 1.288 258 G CA 0.408 45.556 45.100 0.080 0.000 0.901 258 G HN 0.405 nan 8.290 nan 0.000 0.516 259 G N 1.097 109.912 108.800 0.026 0.000 2.179 259 G HA2 -0.149 3.811 3.960 0.001 0.000 0.260 259 G HA3 -0.149 3.811 3.960 0.001 0.000 0.260 259 G C 0.706 175.604 174.900 -0.003 0.000 0.977 259 G CA 1.339 46.445 45.100 0.010 0.000 0.641 259 G HN 1.832 nan 8.290 nan 0.000 0.533 260 T N -3.372 111.184 114.554 0.003 0.000 2.922 260 T HA 0.791 5.141 4.350 0.001 0.000 0.281 260 T C 1.653 176.284 174.700 -0.114 0.000 1.005 260 T CA 0.477 62.559 62.100 -0.030 0.000 0.982 260 T CB 1.611 70.506 68.868 0.045 0.000 1.158 260 T HN 1.369 nan 8.240 nan 0.000 0.566 261 A N -0.312 122.342 122.820 -0.277 0.000 2.125 261 A HA 0.160 4.480 4.320 0.001 0.000 0.219 261 A C 1.273 178.503 177.584 -0.591 0.000 1.156 261 A CA 0.882 52.616 52.037 -0.505 0.000 0.671 261 A CB -1.068 17.476 19.000 -0.761 0.000 0.794 261 A HN 0.764 nan 8.150 nan 0.000 0.459 262 F N -0.122 119.801 119.950 -0.045 0.000 2.668 262 F HA 0.220 4.747 4.527 0.000 0.000 0.301 262 F C 0.734 176.532 175.800 -0.003 0.000 1.106 262 F CA -0.476 57.513 58.000 -0.017 0.000 1.289 262 F CB 0.161 39.149 39.000 -0.020 0.000 1.006 262 F HN 0.250 nan 8.300 nan 0.000 0.535 263 E N 1.688 121.940 120.200 0.087 0.000 2.442 263 E HA 0.032 4.383 4.350 0.001 0.000 0.262 263 E C -0.239 176.372 176.600 0.019 0.000 1.004 263 E CA -0.204 56.224 56.400 0.046 0.000 0.928 263 E CB 0.966 30.668 29.700 0.002 0.000 0.937 263 E HN -0.046 nan 8.360 nan 0.000 0.446 264 V N 4.656 124.538 119.914 -0.054 0.000 2.446 264 V HA -0.026 4.095 4.120 0.001 0.000 0.276 264 V C 1.027 177.037 176.094 -0.139 0.000 1.030 264 V CA 0.868 63.097 62.300 -0.119 0.000 1.033 264 V CB 0.785 32.365 31.823 -0.404 0.000 0.993 264 V HN 0.759 nan 8.190 nan 0.000 0.477 265 S N 1.470 117.145 115.700 -0.043 0.000 2.666 265 S HA 0.099 4.569 4.470 0.001 0.000 0.239 265 S C 0.349 174.947 174.600 -0.003 0.000 1.031 265 S CA -0.475 57.705 58.200 -0.033 0.000 1.015 265 S CB 0.012 63.209 63.200 -0.006 0.000 0.981 265 S HN 0.714 nan 8.310 nan 0.000 0.547 266 D N 4.373 124.797 120.400 0.040 0.000 2.412 266 D HA 0.136 4.776 4.640 0.001 0.000 0.257 266 D C -1.159 175.161 176.300 0.033 0.000 1.217 266 D CA -1.601 52.462 54.000 0.104 0.000 0.897 266 D CB 1.367 42.343 40.800 0.292 0.000 1.132 266 D HN 0.108 nan 8.370 nan 0.000 0.493 267 P HA -0.113 nan 4.420 nan 0.000 0.226 267 P C 1.014 178.305 177.300 -0.015 0.000 1.153 267 P CA 0.905 64.007 63.100 0.003 0.000 0.777 267 P CB -0.160 31.557 31.700 0.028 0.000 0.794 268 T N -1.694 112.896 114.554 0.061 0.000 3.163 268 T HA -0.077 4.273 4.350 0.001 0.000 0.260 268 T C 1.762 176.347 174.700 -0.191 0.000 1.156 268 T CA 0.126 62.278 62.100 0.087 0.000 1.072 268 T CB -0.869 68.154 68.868 0.259 0.000 0.937 268 T HN 0.274 nan 8.240 nan 0.000 0.528 269 R N 1.921 122.073 120.500 -0.580 0.000 2.293 269 R HA -0.054 4.286 4.340 0.001 0.000 0.219 269 R C 2.264 177.951 176.300 -1.022 0.000 1.091 269 R CA 1.383 56.586 56.100 -1.495 0.000 1.004 269 R CB -0.956 28.495 30.300 -1.416 0.000 0.865 269 R HN 0.560 nan 8.270 nan 0.000 0.469 270 S N 1.559 116.971 115.700 -0.481 0.000 2.402 270 S HA -0.179 4.291 4.470 0.001 0.000 0.233 270 S C 1.972 176.503 174.600 -0.116 0.000 1.030 270 S CA 1.305 59.403 58.200 -0.170 0.000 1.003 270 S CB -0.534 62.683 63.200 0.028 0.000 0.813 270 S HN 0.425 nan 8.310 nan 0.000 0.477 271 I N 0.408 120.878 120.570 -0.167 0.000 2.226 271 I HA -0.109 4.061 4.170 0.001 0.000 0.245 271 I C 2.387 178.486 176.117 -0.029 0.000 1.100 271 I CA 1.686 62.922 61.300 -0.108 0.000 1.374 271 I CB -0.504 37.345 38.000 -0.251 0.000 1.057 271 I HN 0.295 nan 8.210 nan 0.000 0.413 272 F N 1.924 121.706 119.950 -0.280 0.000 2.102 272 F HA -0.246 4.281 4.527 0.001 0.000 0.298 272 F C 2.103 177.918 175.800 0.025 0.000 1.105 272 F CA 1.453 59.363 58.000 -0.151 0.000 1.239 272 F CB -0.598 38.194 39.000 -0.347 0.000 0.991 272 F HN -0.086 nan 8.300 nan 0.000 0.474 273 F N 1.099 120.948 119.950 -0.169 0.000 2.126 273 F HA -0.170 4.357 4.527 0.000 0.000 0.299 273 F C 2.378 178.235 175.800 0.096 0.000 1.096 273 F CA 1.357 59.333 58.000 -0.040 0.000 1.255 273 F CB -1.604 37.525 39.000 0.214 0.000 0.997 273 F HN 0.005 nan 8.300 nan 0.000 0.479 274 D N 0.060 120.618 120.400 0.263 0.000 2.218 274 D HA -0.107 4.533 4.640 0.001 0.000 0.204 274 D C 2.261 178.671 176.300 0.182 0.000 0.976 274 D CA 1.236 55.378 54.000 0.238 0.000 0.853 274 D CB -0.429 40.500 40.800 0.215 0.000 0.939 274 D HN 0.256 nan 8.370 nan 0.000 0.481 275 A N 0.224 123.113 122.820 0.115 0.000 2.119 275 A HA -0.040 4.281 4.320 0.001 0.000 0.217 275 A C 2.389 180.043 177.584 0.117 0.000 1.153 275 A CA 0.405 52.504 52.037 0.104 0.000 0.692 275 A CB -0.294 18.788 19.000 0.136 0.000 0.799 275 A HN 0.115 nan 8.150 nan 0.000 0.458 276 V N 0.096 120.005 119.914 -0.009 0.000 2.287 276 V HA -0.265 3.856 4.120 0.001 0.000 0.248 276 V C 2.373 178.471 176.094 0.007 0.000 1.053 276 V CA 2.386 64.589 62.300 -0.162 0.000 1.027 276 V CB -0.554 30.688 31.823 -0.968 0.000 0.646 276 V HN 0.636 nan 8.190 nan 0.000 0.447 277 E N -0.448 119.801 120.200 0.082 0.000 2.276 277 E HA 0.021 4.372 4.350 0.001 0.000 0.193 277 E C 2.244 178.936 176.600 0.154 0.000 0.983 277 E CA 0.741 57.230 56.400 0.148 0.000 0.861 277 E CB -0.052 29.762 29.700 0.191 0.000 0.817 277 E HN 0.628 nan 8.360 nan 0.000 0.485 278 G N 0.228 109.119 108.800 0.152 0.000 2.464 278 G HA2 -0.115 3.845 3.960 0.001 0.000 0.217 278 G HA3 -0.115 3.845 3.960 0.001 0.000 0.217 278 G C 1.550 176.568 174.900 0.198 0.000 1.138 278 G CA 0.531 45.735 45.100 0.174 0.000 0.793 278 G HN 0.095 nan 8.290 nan 0.000 0.539 279 S N -0.885 114.840 115.700 0.041 0.000 3.039 279 S HA 0.273 4.744 4.470 0.001 0.000 0.251 279 S C 1.670 176.044 174.600 -0.377 0.000 1.064 279 S CA -0.321 57.752 58.200 -0.212 0.000 0.822 279 S CB -0.098 62.794 63.200 -0.513 0.000 0.802 279 S HN 0.236 nan 8.310 nan 0.000 0.519 280 F N 2.388 122.300 119.950 -0.064 0.000 2.179 280 F HA 0.242 4.769 4.527 0.000 0.000 0.292 280 F C 2.679 178.407 175.800 -0.121 0.000 1.089 280 F CA 0.801 58.712 58.000 -0.149 0.000 1.295 280 F CB -0.549 38.330 39.000 -0.203 0.000 1.041 280 F HN 0.201 nan 8.300 nan 0.000 0.487 281 A N 0.598 123.540 122.820 0.205 0.000 1.908 281 A HA -0.142 4.178 4.320 0.001 0.000 0.218 281 A C -0.354 177.362 177.584 0.220 0.000 1.181 281 A CA 1.733 53.963 52.037 0.322 0.000 0.627 281 A CB -2.007 17.244 19.000 0.418 0.000 0.818 281 A HN 0.227 nan 8.150 nan 0.000 0.445 282 P HA -0.074 nan 4.420 nan 0.000 0.222 282 P C 1.139 178.462 177.300 0.037 0.000 1.147 282 P CA 1.563 64.751 63.100 0.147 0.000 0.790 282 P CB -0.075 31.806 31.700 0.301 0.000 0.780 283 V N -6.634 113.238 119.914 -0.068 0.000 3.542 283 V HA 0.244 4.364 4.120 0.001 0.000 0.296 283 V C 0.618 176.544 176.094 -0.281 0.000 1.364 283 V CA 0.142 62.328 62.300 -0.192 0.000 1.118 283 V CB -0.762 30.907 31.823 -0.256 0.000 0.972 283 V HN -0.086 nan 8.190 nan 0.000 0.430 284 M N 2.060 121.480 119.600 -0.301 0.000 2.144 284 M HA 0.540 5.020 4.480 0.001 0.000 0.356 284 M C -0.763 175.330 176.300 -0.345 0.000 1.217 284 M CA -0.037 54.941 55.300 -0.536 0.000 1.087 284 M CB 1.274 33.165 32.600 -1.181 0.000 1.609 284 M HN 0.215 nan 8.290 nan 0.000 0.467 285 I N 5.021 125.372 120.570 -0.366 0.000 2.466 285 I HA 0.220 4.390 4.170 0.001 0.000 0.279 285 I C -0.092 176.002 176.117 -0.038 0.000 1.033 285 I CA -0.464 60.717 61.300 -0.197 0.000 1.123 285 I CB 0.894 38.612 38.000 -0.470 0.000 1.237 285 I HN 0.672 nan 8.210 nan 0.000 0.460 286 N N 4.791 123.601 118.700 0.183 0.000 2.735 286 N HA -0.206 4.534 4.740 0.001 0.000 0.248 286 N C 0.951 176.636 175.510 0.291 0.000 1.083 286 N CA 1.370 54.591 53.050 0.285 0.000 0.703 286 N CB -0.928 37.724 38.487 0.275 0.000 1.005 286 N HN 1.161 nan 8.380 nan 0.000 0.550 287 G N -2.482 106.379 108.800 0.103 0.000 2.175 287 G HA2 -0.047 3.913 3.960 0.001 0.000 0.244 287 G HA3 -0.047 3.913 3.960 0.001 0.000 0.244 287 G C 0.066 174.871 174.900 -0.157 0.000 0.982 287 G CA 0.618 45.752 45.100 0.055 0.000 0.641 287 G HN 1.202 nan 8.290 nan 0.000 0.527 288 A N 0.958 123.528 122.820 -0.418 0.000 2.342 288 A HA 0.832 5.152 4.320 0.001 0.000 0.323 288 A C 0.382 177.682 177.584 -0.473 0.000 1.125 288 A CA -0.516 51.122 52.037 -0.665 0.000 0.785 288 A CB 0.772 19.131 19.000 -1.068 0.000 1.221 288 A HN 0.310 nan 8.150 nan 0.000 0.463 289 M N 2.107 121.486 119.600 -0.368 0.000 2.238 289 M HA 0.232 4.712 4.480 0.001 0.000 0.350 289 M C 0.898 177.027 176.300 -0.286 0.000 1.321 289 M CA -0.042 55.076 55.300 -0.303 0.000 1.097 289 M CB 0.416 32.898 32.600 -0.197 0.000 1.713 289 M HN 0.860 nan 8.290 nan 0.000 0.455 290 A N 3.332 125.946 122.820 -0.344 0.000 2.540 290 A HA 0.026 4.347 4.320 0.001 0.000 0.239 290 A C 0.898 178.328 177.584 -0.256 0.000 1.061 290 A CA -0.226 51.587 52.037 -0.374 0.000 0.758 290 A CB -0.023 18.724 19.000 -0.420 0.000 0.991 290 A HN 0.832 nan 8.150 nan 0.000 0.502 291 D N 2.336 122.586 120.400 -0.249 0.000 2.182 291 D HA -0.118 4.522 4.640 0.001 0.000 0.201 291 D C 2.050 178.205 176.300 -0.241 0.000 0.986 291 D CA 1.882 55.773 54.000 -0.183 0.000 0.847 291 D CB -0.200 40.589 40.800 -0.019 0.000 0.942 291 D HN 0.690 nan 8.370 nan 0.000 0.467 292 A N 0.278 122.843 122.820 -0.426 0.000 2.172 292 A HA -0.035 4.286 4.320 0.001 0.000 0.216 292 A C 1.823 179.307 177.584 -0.167 0.000 1.154 292 A CA 1.103 53.008 52.037 -0.220 0.000 0.701 292 A CB -0.160 18.715 19.000 -0.209 0.000 0.789 292 A HN 0.230 nan 8.150 nan 0.000 0.465 293 V N -2.967 116.840 119.914 -0.178 0.000 3.085 293 V HA 0.326 4.447 4.120 0.001 0.000 0.345 293 V C 0.837 176.907 176.094 -0.039 0.000 1.397 293 V CA 0.232 62.454 62.300 -0.131 0.000 1.165 293 V CB -0.784 30.947 31.823 -0.155 0.000 1.153 293 V HN 0.618 nan 8.190 nan 0.000 0.495 294 R N 0.059 120.527 120.500 -0.054 0.000 2.596 294 R HA 0.577 4.917 4.340 0.001 0.000 0.369 294 R C 1.009 177.365 176.300 0.093 0.000 1.042 294 R CA 0.318 56.468 56.100 0.083 0.000 1.120 294 R CB 0.265 30.583 30.300 0.030 0.000 1.353 294 R HN 0.545 nan 8.270 nan 0.000 0.564 295 G N 3.436 112.119 108.800 -0.196 0.000 2.672 295 G HA2 -0.495 3.466 3.960 0.001 0.000 0.324 295 G HA3 -0.495 3.466 3.960 0.001 0.000 0.324 295 G C 0.780 175.674 174.900 -0.009 0.000 1.286 295 G CA 1.072 46.009 45.100 -0.272 0.000 1.004 295 G HN 0.573 nan 8.290 nan 0.000 0.548 296 R N 0.592 121.185 120.500 0.153 0.000 2.316 296 R HA 0.183 4.523 4.340 0.001 0.000 0.202 296 R C 2.478 178.799 176.300 0.036 0.000 1.029 296 R CA 1.981 58.126 56.100 0.075 0.000 1.018 296 R CB -0.385 29.970 30.300 0.092 0.000 0.888 296 R HN 0.815 nan 8.270 nan 0.000 0.471 297 S N 1.997 117.732 115.700 0.059 0.000 2.507 297 S HA -0.114 4.357 4.470 0.001 0.000 0.235 297 S C 2.098 176.691 174.600 -0.012 0.000 0.988 297 S CA 0.762 58.966 58.200 0.008 0.000 0.944 297 S CB -0.692 62.504 63.200 -0.007 0.000 0.762 297 S HN 0.613 nan 8.310 nan 0.000 0.526 298 I N 1.558 122.068 120.570 -0.101 0.000 2.399 298 I HA -0.142 4.028 4.170 0.001 0.000 0.254 298 I C 2.199 178.314 176.117 -0.003 0.000 1.146 298 I CA 1.560 62.715 61.300 -0.241 0.000 1.412 298 I CB -1.060 36.384 38.000 -0.926 0.000 1.076 298 I HN 0.432 nan 8.210 nan 0.000 0.432 299 S N 0.703 116.443 115.700 0.067 0.000 2.607 299 S HA 0.104 4.574 4.470 0.001 0.000 0.224 299 S C 0.855 175.679 174.600 0.374 0.000 0.969 299 S CA -0.317 58.074 58.200 0.319 0.000 0.927 299 S CB -0.448 62.844 63.200 0.154 0.000 0.772 299 S HN 0.523 nan 8.310 nan 0.000 0.533 300 R N 1.793 122.368 120.500 0.125 0.000 2.229 300 R HA 0.241 4.581 4.340 0.001 0.000 0.332 300 R C 1.279 177.294 176.300 -0.475 0.000 0.989 300 R CA -0.115 55.923 56.100 -0.103 0.000 0.842 300 R CB 0.911 31.160 30.300 -0.085 0.000 1.119 300 R HN 0.594 nan 8.270 nan 0.000 0.456 301 E N 2.583 122.238 120.200 -0.908 0.000 2.153 301 E HA -0.180 4.170 4.350 0.001 0.000 0.194 301 E C 0.616 176.845 176.600 -0.619 0.000 0.988 301 E CA 1.487 57.002 56.400 -1.475 0.000 0.811 301 E CB 0.132 28.849 29.700 -1.638 0.000 0.746 301 E HN 0.526 nan 8.360 nan 0.000 0.466 302 A N 0.989 123.590 122.820 -0.365 0.000 2.631 302 A HA 0.177 4.498 4.320 0.001 0.000 0.294 302 A C 0.135 177.640 177.584 -0.131 0.000 1.156 302 A CA -0.511 51.407 52.037 -0.200 0.000 0.963 302 A CB -0.147 18.756 19.000 -0.162 0.000 1.202 302 A HN 0.266 nan 8.150 nan 0.000 0.523 303 N N 1.057 119.681 118.700 -0.126 0.000 2.725 303 N HA 0.125 4.865 4.740 0.001 0.000 0.248 303 N C -0.250 175.239 175.510 -0.034 0.000 1.402 303 N CA 0.336 53.340 53.050 -0.077 0.000 0.766 303 N CB 0.791 39.222 38.487 -0.092 0.000 1.223 303 N HN 0.350 nan 8.380 nan 0.000 0.515 304 T N -2.119 112.445 114.554 0.016 0.000 2.880 304 T HA 0.416 4.767 4.350 0.001 0.000 0.279 304 T C 1.637 176.384 174.700 0.079 0.000 0.990 304 T CA -0.142 62.019 62.100 0.102 0.000 0.938 304 T CB 1.137 70.129 68.868 0.206 0.000 1.206 304 T HN 0.166 nan 8.240 nan 0.000 0.573 305 G N -0.922 107.933 108.800 0.090 0.000 2.442 305 G HA2 -0.132 3.829 3.960 0.001 0.000 0.219 305 G HA3 -0.132 3.829 3.960 0.001 0.000 0.219 305 G C 1.074 175.866 174.900 -0.181 0.000 1.141 305 G CA 0.542 45.598 45.100 -0.073 0.000 0.763 305 G HN 0.787 nan 8.290 nan 0.000 0.554 306 Y N 0.903 121.260 120.300 0.095 0.000 2.337 306 Y HA 0.007 4.557 4.550 0.000 0.000 0.293 306 Y C 2.638 178.541 175.900 0.005 0.000 1.123 306 Y CA 0.934 59.072 58.100 0.062 0.000 1.201 306 Y CB 0.146 38.680 38.460 0.124 0.000 1.011 306 Y HN 0.114 nan 8.280 nan 0.000 0.545 307 D N 0.261 120.738 120.400 0.129 0.000 2.117 307 D HA -0.161 4.479 4.640 0.001 0.000 0.197 307 D C 2.127 178.416 176.300 -0.018 0.000 0.987 307 D CA 1.317 55.339 54.000 0.037 0.000 0.829 307 D CB -0.314 40.491 40.800 0.008 0.000 0.961 307 D HN 0.324 nan 8.370 nan 0.000 0.460 308 L N 0.540 121.736 121.223 -0.044 0.000 2.072 308 L HA -0.010 4.330 4.340 0.001 0.000 0.205 308 L C 2.639 179.433 176.870 -0.128 0.000 1.079 308 L CA 1.214 56.001 54.840 -0.089 0.000 0.752 308 L CB -0.606 41.400 42.059 -0.090 0.000 0.906 308 L HN 0.057 nan 8.230 nan 0.000 0.436 309 G N -0.353 108.357 108.800 -0.149 0.000 2.418 309 G HA2 -0.257 3.703 3.960 0.001 0.000 0.217 309 G HA3 -0.257 3.703 3.960 0.001 0.000 0.217 309 G C 1.762 176.577 174.900 -0.143 0.000 1.158 309 G CA 0.804 45.773 45.100 -0.218 0.000 0.771 309 G HN 0.454 nan 8.290 nan 0.000 0.545 310 A N 0.672 123.462 122.820 -0.050 0.000 1.933 310 A HA 0.039 4.360 4.320 0.001 0.000 0.218 310 A C 2.693 180.245 177.584 -0.053 0.000 1.175 310 A CA 2.185 54.210 52.037 -0.020 0.000 0.628 310 A CB -0.524 18.484 19.000 0.013 0.000 0.814 310 A HN 0.306 nan 8.150 nan 0.000 0.444 311 S N -0.146 115.508 115.700 -0.076 0.000 2.382 311 S HA -0.022 4.449 4.470 0.001 0.000 0.228 311 S C 2.287 176.806 174.600 -0.135 0.000 1.027 311 S CA 1.100 59.245 58.200 -0.092 0.000 0.991 311 S CB -0.411 62.732 63.200 -0.095 0.000 0.823 311 S HN 0.792 nan 8.310 nan 0.000 0.469 312 A N 1.249 123.956 122.820 -0.189 0.000 1.933 312 A HA -0.018 4.302 4.320 0.001 0.000 0.218 312 A C 2.051 179.516 177.584 -0.199 0.000 1.175 312 A CA 1.084 52.952 52.037 -0.280 0.000 0.628 312 A CB -0.623 18.159 19.000 -0.364 0.000 0.814 312 A HN 0.480 nan 8.150 nan 0.000 0.444 313 I N -0.717 119.788 120.570 -0.109 0.000 2.252 313 I HA -0.240 3.930 4.170 0.001 0.000 0.245 313 I C 2.547 178.664 176.117 0.000 0.000 1.102 313 I CA 1.680 62.988 61.300 0.014 0.000 1.385 313 I CB -0.260 37.789 38.000 0.082 0.000 1.064 313 I HN 0.545 nan 8.210 nan 0.000 0.414 314 E N 1.330 121.514 120.200 -0.027 0.000 2.058 314 E HA -0.289 4.061 4.350 0.001 0.000 0.194 314 E C 2.241 178.827 176.600 -0.024 0.000 0.997 314 E CA 1.590 57.978 56.400 -0.020 0.000 0.801 314 E CB -0.060 29.620 29.700 -0.033 0.000 0.746 314 E HN 0.487 nan 8.360 nan 0.000 0.450 315 A N 0.949 123.730 122.820 -0.065 0.000 1.877 315 A HA -0.156 4.164 4.320 0.001 0.000 0.216 315 A C 2.200 179.750 177.584 -0.056 0.000 1.186 315 A CA 1.464 53.460 52.037 -0.069 0.000 0.620 315 A CB -0.647 18.270 19.000 -0.140 0.000 0.822 315 A HN 0.355 nan 8.150 nan 0.000 0.443 316 I N -0.240 120.265 120.570 -0.108 0.000 2.226 316 I HA -0.267 3.903 4.170 0.001 0.000 0.245 316 I C 2.369 178.530 176.117 0.073 0.000 1.100 316 I CA 1.092 62.325 61.300 -0.111 0.000 1.374 316 I CB -0.323 37.581 38.000 -0.160 0.000 1.057 316 I HN 0.299 nan 8.210 nan 0.000 0.413 317 L N -0.235 121.031 121.223 0.072 0.000 2.046 317 L HA -0.234 4.107 4.340 0.001 0.000 0.208 317 L C 2.572 179.501 176.870 0.098 0.000 1.077 317 L CA 0.989 55.887 54.840 0.096 0.000 0.747 317 L CB -0.567 41.531 42.059 0.064 0.000 0.896 317 L HN 0.295 nan 8.230 nan 0.000 0.432 318 L N -0.144 121.126 121.223 0.078 0.000 2.046 318 L HA -0.184 4.156 4.340 0.001 0.000 0.208 318 L C 2.298 179.250 176.870 0.136 0.000 1.077 318 L CA 1.689 56.583 54.840 0.090 0.000 0.747 318 L CB -0.402 41.702 42.059 0.074 0.000 0.896 318 L HN 0.094 nan 8.230 nan 0.000 0.432 319 L N -0.624 120.703 121.223 0.174 0.000 2.093 319 L HA -0.146 4.195 4.340 0.001 0.000 0.208 319 L C 2.632 179.646 176.870 0.240 0.000 1.085 319 L CA 1.040 56.036 54.840 0.261 0.000 0.755 319 L CB -0.847 41.409 42.059 0.327 0.000 0.904 319 L HN 0.369 nan 8.230 nan 0.000 0.435 320 A N 0.162 123.154 122.820 0.288 0.000 2.024 320 A HA -0.223 4.098 4.320 0.001 0.000 0.220 320 A C 2.324 179.898 177.584 -0.016 0.000 1.164 320 A CA 1.420 53.545 52.037 0.146 0.000 0.643 320 A CB -0.496 18.627 19.000 0.204 0.000 0.806 320 A HN 0.360 nan 8.150 nan 0.000 0.451 321 R N -0.700 119.819 120.500 0.032 0.000 2.159 321 R HA -0.080 4.260 4.340 0.001 0.000 0.237 321 R C 1.914 178.196 176.300 -0.031 0.000 1.131 321 R CA 1.183 57.285 56.100 0.004 0.000 0.982 321 R CB -0.305 30.017 30.300 0.037 0.000 0.868 321 R HN 0.497 nan 8.270 nan 0.000 0.453 322 A N -0.172 122.622 122.820 -0.043 0.000 2.308 322 A HA 0.200 4.521 4.320 0.001 0.000 0.217 322 A C 0.486 177.962 177.584 -0.180 0.000 1.216 322 A CA -0.046 51.950 52.037 -0.068 0.000 0.864 322 A CB 0.261 19.263 19.000 0.003 0.000 0.902 322 A HN -0.007 nan 8.150 nan 0.000 0.499 323 M N 1.517 120.951 119.600 -0.276 0.000 2.267 323 M HA 0.206 4.686 4.480 0.001 0.000 0.303 323 M C -0.066 176.051 176.300 -0.305 0.000 1.164 323 M CA -1.049 53.995 55.300 -0.427 0.000 1.060 323 M CB 0.305 32.467 32.600 -0.731 0.000 1.455 323 M HN 0.484 nan 8.290 nan 0.000 0.483 324 D N 0.926 121.146 120.400 -0.299 0.000 2.378 324 D HA 0.025 4.666 4.640 0.001 0.000 0.238 324 D C -2.138 174.028 176.300 -0.223 0.000 1.180 324 D CA -1.032 52.840 54.000 -0.213 0.000 0.895 324 D CB 0.181 40.871 40.800 -0.183 0.000 1.192 324 D HN 0.221 nan 8.370 nan 0.000 0.438 325 P HA -0.166 nan 4.420 nan 0.000 0.216 325 P C 1.356 178.558 177.300 -0.163 0.000 1.153 325 P CA 2.326 65.339 63.100 -0.144 0.000 0.858 325 P CB 0.001 31.641 31.700 -0.100 0.000 0.789 326 A N -1.220 121.505 122.820 -0.158 0.000 1.898 326 A HA -0.154 4.166 4.320 0.001 0.000 0.216 326 A C 2.245 179.694 177.584 -0.226 0.000 1.181 326 A CA 2.285 54.231 52.037 -0.152 0.000 0.620 326 A CB -1.786 17.143 19.000 -0.119 0.000 0.819 326 A HN 0.148 nan 8.150 nan 0.000 0.442 327 T N 0.266 114.622 114.554 -0.330 0.000 2.777 327 T HA 0.026 4.377 4.350 0.001 0.000 0.266 327 T C 2.263 176.525 174.700 -0.730 0.000 1.040 327 T CA 1.450 63.199 62.100 -0.585 0.000 1.141 327 T CB -0.481 67.943 68.868 -0.739 0.000 0.868 327 T HN 0.589 nan 8.240 nan 0.000 0.444 328 A N 1.701 124.198 122.820 -0.538 0.000 1.892 328 A HA -0.018 4.302 4.320 0.001 0.000 0.218 328 A C 2.639 180.116 177.584 -0.178 0.000 1.188 328 A CA 2.164 53.993 52.037 -0.348 0.000 0.631 328 A CB -1.221 17.642 19.000 -0.229 0.000 0.822 328 A HN 0.526 nan 8.150 nan 0.000 0.447 329 A N -0.586 122.141 122.820 -0.155 0.000 1.930 329 A HA -0.099 4.221 4.320 0.001 0.000 0.217 329 A C 2.161 179.707 177.584 -0.062 0.000 1.175 329 A CA 2.082 54.066 52.037 -0.089 0.000 0.627 329 A CB -0.419 18.531 19.000 -0.084 0.000 0.815 329 A HN 0.519 nan 8.150 nan 0.000 0.443 330 R N -0.966 119.483 120.500 -0.085 0.000 2.073 330 R HA -0.155 4.185 4.340 0.001 0.000 0.234 330 R C 1.722 178.097 176.300 0.125 0.000 1.134 330 R CA 1.996 58.092 56.100 -0.008 0.000 0.952 330 R CB -0.690 29.605 30.300 -0.008 0.000 0.850 330 R HN 0.616 nan 8.270 nan 0.000 0.433 331 W N 0.955 122.203 121.300 -0.087 0.000 2.388 331 W HA 0.045 4.705 4.660 0.000 0.000 0.294 331 W C 2.172 178.633 176.519 -0.097 0.000 1.212 331 W CA 0.893 58.191 57.345 -0.079 0.000 1.271 331 W CB -0.722 28.706 29.460 -0.053 0.000 1.126 331 W HN 0.188 nan 8.180 nan 0.000 0.535 332 R N -0.390 120.197 120.500 0.145 0.000 2.081 332 R HA -0.094 4.246 4.340 0.001 0.000 0.235 332 R C 2.559 178.843 176.300 -0.027 0.000 1.131 332 R CA 1.570 57.700 56.100 0.049 0.000 0.960 332 R CB -1.144 29.169 30.300 0.023 0.000 0.856 332 R HN 0.201 nan 8.270 nan 0.000 0.436 333 G N 1.053 109.821 108.800 -0.052 0.000 2.418 333 G HA2 -0.231 3.730 3.960 0.001 0.000 0.217 333 G HA3 -0.231 3.730 3.960 0.001 0.000 0.217 333 G C 1.423 176.184 174.900 -0.232 0.000 1.158 333 G CA 0.494 45.528 45.100 -0.111 0.000 0.771 333 G HN 0.121 nan 8.290 nan 0.000 0.545 334 L N 0.039 121.078 121.223 -0.307 0.000 2.012 334 L HA -0.173 4.168 4.340 0.001 0.000 0.210 334 L C 3.096 179.391 176.870 -0.958 0.000 1.073 334 L CA 1.164 55.545 54.840 -0.765 0.000 0.748 334 L CB -0.626 40.956 42.059 -0.795 0.000 0.891 334 L HN 0.265 nan 8.230 nan 0.000 0.431 335 C N -0.451 118.614 119.300 -0.392 0.000 2.429 335 C HA -0.126 4.334 4.460 0.001 0.000 0.277 335 C C 3.142 178.119 174.990 -0.021 0.000 1.262 335 C CA 0.593 59.602 59.018 -0.016 0.000 1.733 335 C CB -1.093 26.714 27.740 0.112 0.000 2.010 335 C HN 0.627 nan 8.230 nan 0.000 0.483 336 A N 0.766 123.539 122.820 -0.078 0.000 1.978 336 A HA 0.032 4.353 4.320 0.001 0.000 0.220 336 A C 2.362 179.911 177.584 -0.057 0.000 1.170 336 A CA 2.101 54.111 52.037 -0.044 0.000 0.636 336 A CB -1.124 17.845 19.000 -0.052 0.000 0.810 336 A HN 0.568 nan 8.150 nan 0.000 0.448 337 G N -1.455 107.244 108.800 -0.167 0.000 2.404 337 G HA2 -0.209 3.751 3.960 0.001 0.000 0.215 337 G HA3 -0.209 3.751 3.960 0.001 0.000 0.215 337 G C 1.338 176.224 174.900 -0.023 0.000 1.174 337 G CA 0.860 45.864 45.100 -0.160 0.000 0.780 337 G HN 0.585 nan 8.290 nan 0.000 0.537 338 W N 0.672 121.984 121.300 0.019 0.000 2.425 338 W HA 0.151 4.812 4.660 0.000 0.000 0.277 338 W C 2.370 178.919 176.519 0.050 0.000 1.231 338 W CA 0.051 57.416 57.345 0.033 0.000 1.248 338 W CB -0.646 28.823 29.460 0.016 0.000 1.117 338 W HN 0.211 nan 8.180 nan 0.000 0.568 339 I N 0.044 120.755 120.570 0.235 0.000 2.235 339 I HA -0.192 3.978 4.170 0.001 0.000 0.241 339 I C 2.593 178.773 176.117 0.105 0.000 1.085 339 I CA 1.407 62.796 61.300 0.148 0.000 1.378 339 I CB -0.909 37.148 38.000 0.096 0.000 1.076 339 I HN -0.210 nan 8.210 nan 0.000 0.415 340 A N 0.806 123.670 122.820 0.073 0.000 1.933 340 A HA -0.166 4.155 4.320 0.001 0.000 0.218 340 A C 2.317 179.941 177.584 0.068 0.000 1.175 340 A CA 1.384 53.451 52.037 0.050 0.000 0.628 340 A CB -0.523 18.490 19.000 0.023 0.000 0.814 340 A HN 0.328 nan 8.150 nan 0.000 0.444 341 R N -0.595 119.965 120.500 0.099 0.000 2.236 341 R HA -0.026 4.315 4.340 0.001 0.000 0.208 341 R C -0.174 176.211 176.300 0.141 0.000 1.036 341 R CA 0.695 56.863 56.100 0.114 0.000 1.001 341 R CB -0.052 30.327 30.300 0.133 0.000 0.896 341 R HN 0.412 nan 8.270 nan 0.000 0.464 342 D N 0.862 121.355 120.400 0.155 0.000 2.479 342 D HA 0.001 4.641 4.640 0.001 0.000 0.218 342 D C 0.659 177.011 176.300 0.086 0.000 1.131 342 D CA -0.096 54.003 54.000 0.165 0.000 0.916 342 D CB 1.042 41.974 40.800 0.220 0.000 1.022 342 D HN 0.073 nan 8.370 nan 0.000 0.515 343 T N 0.375 114.977 114.554 0.080 0.000 3.129 343 T HA -0.063 4.287 4.350 0.001 0.000 0.251 343 T C 1.461 176.173 174.700 0.021 0.000 1.117 343 T CA 0.084 62.208 62.100 0.039 0.000 1.034 343 T CB -0.351 68.544 68.868 0.044 0.000 0.968 343 T HN 0.400 nan 8.240 nan 0.000 0.526 344 Y N 1.917 122.139 120.300 -0.131 0.000 2.301 344 Y HA 0.403 4.953 4.550 0.001 0.000 0.295 344 Y C 0.882 176.625 175.900 -0.261 0.000 1.126 344 Y CA 0.107 58.085 58.100 -0.204 0.000 1.154 344 Y CB 0.562 38.865 38.460 -0.262 0.000 1.075 344 Y HN -0.087 nan 8.280 nan 0.000 0.534 345 R N 1.590 121.783 120.500 -0.511 0.000 2.564 345 R HA 0.326 4.667 4.340 0.001 0.000 0.282 345 R C -2.965 173.218 176.300 -0.194 0.000 1.573 345 R CA -2.215 53.610 56.100 -0.459 0.000 1.588 345 R CB 0.408 30.399 30.300 -0.516 0.000 1.154 345 R HN 0.184 nan 8.270 nan 0.000 0.606 346 P HA 0.038 nan 4.420 nan 0.000 0.264 346 P C 1.189 178.460 177.300 -0.048 0.000 1.183 346 P CA 0.131 63.194 63.100 -0.062 0.000 0.763 346 P CB 0.750 32.411 31.700 -0.065 0.000 0.807 347 I N 3.189 123.752 120.570 -0.011 0.000 2.454 347 I HA -0.208 3.963 4.170 0.001 0.000 0.254 347 I C 1.359 177.452 176.117 -0.041 0.000 1.156 347 I CA 1.339 62.634 61.300 -0.008 0.000 1.433 347 I CB 0.068 38.079 38.000 0.018 0.000 1.082 347 I HN 0.347 nan 8.210 nan 0.000 0.432 348 L N 0.356 121.545 121.223 -0.057 0.000 2.478 348 L HA -0.020 4.320 4.340 0.001 0.000 0.223 348 L C 0.294 177.116 176.870 -0.081 0.000 1.140 348 L CA -0.077 54.712 54.840 -0.084 0.000 0.842 348 L CB -0.721 41.277 42.059 -0.101 0.000 0.953 348 L HN 0.224 nan 8.230 nan 0.000 0.452 349 N N 0.400 119.055 118.700 -0.074 0.000 2.468 349 N HA 0.009 4.750 4.740 0.001 0.000 0.265 349 N C 0.824 176.293 175.510 -0.068 0.000 1.199 349 N CA 0.328 53.333 53.050 -0.075 0.000 0.928 349 N CB 0.952 39.386 38.487 -0.089 0.000 1.059 349 N HN -0.034 nan 8.380 nan 0.000 0.467 350 S N -1.412 114.252 115.700 -0.061 0.000 3.380 350 S HA -0.240 4.230 4.470 0.001 0.000 0.300 350 S C 0.373 174.942 174.600 -0.051 0.000 1.255 350 S CA 0.864 59.032 58.200 -0.052 0.000 0.963 350 S CB -1.563 61.606 63.200 -0.051 0.000 1.106 350 S HN 0.909 nan 8.310 nan 0.000 0.629 351 A N 1.892 124.675 122.820 -0.062 0.000 2.462 351 A HA 0.583 4.904 4.320 0.001 0.000 0.243 351 A C 0.928 178.478 177.584 -0.057 0.000 1.076 351 A CA 0.350 52.349 52.037 -0.064 0.000 0.773 351 A CB 0.252 19.201 19.000 -0.086 0.000 1.010 351 A HN 1.205 nan 8.150 nan 0.000 0.493 352 S N 1.458 117.132 115.700 -0.045 0.000 2.587 352 S HA 0.167 4.637 4.470 0.001 0.000 0.260 352 S C 1.178 175.766 174.600 -0.020 0.000 1.353 352 S CA -0.051 58.133 58.200 -0.028 0.000 0.995 352 S CB 0.470 63.653 63.200 -0.027 0.000 0.912 352 S HN 0.775 nan 8.310 nan 0.000 0.568 353 V N 1.994 121.923 119.914 0.026 0.000 2.295 353 V HA -0.053 4.067 4.120 0.001 0.000 0.246 353 V C -0.648 175.506 176.094 0.100 0.000 1.049 353 V CA 1.757 64.122 62.300 0.108 0.000 1.024 353 V CB -2.013 29.901 31.823 0.151 0.000 0.648 353 V HN 0.718 nan 8.190 nan 0.000 0.447 354 P HA -0.168 nan 4.420 nan 0.000 0.215 354 P C 1.773 179.076 177.300 0.005 0.000 1.153 354 P CA 1.449 64.563 63.100 0.023 0.000 0.853 354 P CB -0.085 31.596 31.700 -0.031 0.000 0.788 355 R N -0.731 119.753 120.500 -0.026 0.000 2.075 355 R HA -0.091 4.249 4.340 0.001 0.000 0.232 355 R C 1.877 178.131 176.300 -0.076 0.000 1.126 355 R CA 1.929 58.004 56.100 -0.042 0.000 0.963 355 R CB -0.925 29.346 30.300 -0.048 0.000 0.858 355 R HN 0.081 nan 8.270 nan 0.000 0.435 356 T N 0.700 115.172 114.554 -0.137 0.000 2.684 356 T HA -0.164 4.186 4.350 0.001 0.000 0.267 356 T C 1.812 176.340 174.700 -0.286 0.000 1.036 356 T CA 1.507 63.419 62.100 -0.313 0.000 1.148 356 T CB -0.341 68.186 68.868 -0.568 0.000 0.863 356 T HN 0.478 nan 8.240 nan 0.000 0.436 357 A N 1.016 123.807 122.820 -0.049 0.000 1.902 357 A HA 0.001 4.321 4.320 0.001 0.000 0.217 357 A C 2.308 179.934 177.584 0.070 0.000 1.181 357 A CA 1.279 53.423 52.037 0.178 0.000 0.623 357 A CB -0.859 18.308 19.000 0.279 0.000 0.818 357 A HN 0.471 nan 8.150 nan 0.000 0.443 358 L N -0.672 120.568 121.223 0.029 0.000 2.093 358 L HA -0.141 4.199 4.340 0.001 0.000 0.208 358 L C 2.501 179.376 176.870 0.009 0.000 1.085 358 L CA 0.863 55.717 54.840 0.024 0.000 0.755 358 L CB -0.371 41.699 42.059 0.019 0.000 0.904 358 L HN 0.246 nan 8.230 nan 0.000 0.435 359 V N -0.429 119.471 119.914 -0.022 0.000 2.358 359 V HA -0.241 3.879 4.120 0.001 0.000 0.246 359 V C 2.534 178.611 176.094 -0.028 0.000 1.047 359 V CA 1.507 63.789 62.300 -0.028 0.000 1.035 359 V CB -0.487 31.303 31.823 -0.054 0.000 0.658 359 V HN 0.381 nan 8.190 nan 0.000 0.452 360 K N -0.060 120.314 120.400 -0.044 0.000 2.057 360 K HA -0.223 4.097 4.320 0.001 0.000 0.206 360 K C 2.175 178.791 176.600 0.026 0.000 1.050 360 K CA 1.590 57.871 56.287 -0.010 0.000 0.935 360 K CB -0.329 32.184 32.500 0.022 0.000 0.715 360 K HN 0.581 nan 8.250 nan 0.000 0.439 361 Q N 0.986 120.809 119.800 0.038 0.000 2.084 361 Q HA -0.176 4.164 4.340 0.001 0.000 0.202 361 Q C 2.179 178.192 176.000 0.021 0.000 0.978 361 Q CA 1.177 57.002 55.803 0.037 0.000 0.844 361 Q CB -0.075 28.688 28.738 0.042 0.000 0.898 361 Q HN 0.168 nan 8.270 nan 0.000 0.426 362 L N 1.214 122.448 121.223 0.018 0.000 2.017 362 L HA -0.175 4.165 4.340 0.001 0.000 0.208 362 L C 2.279 179.152 176.870 0.005 0.000 1.073 362 L CA 2.419 57.267 54.840 0.013 0.000 0.745 362 L CB -0.697 41.372 42.059 0.017 0.000 0.894 362 L HN 0.368 nan 8.230 nan 0.000 0.432 363 E N -0.436 119.766 120.200 0.003 0.000 2.118 363 E HA -0.249 4.102 4.350 0.001 0.000 0.195 363 E C 1.974 178.575 176.600 0.002 0.000 0.992 363 E CA 1.171 57.570 56.400 -0.001 0.000 0.804 363 E CB -0.189 29.508 29.700 -0.004 0.000 0.741 363 E HN 0.623 nan 8.360 nan 0.000 0.458 364 A N 0.626 123.451 122.820 0.008 0.000 2.067 364 A HA -0.138 4.182 4.320 0.001 0.000 0.219 364 A C 2.339 179.924 177.584 0.002 0.000 1.158 364 A CA 1.787 53.829 52.037 0.008 0.000 0.661 364 A CB -0.968 18.041 19.000 0.016 0.000 0.801 364 A HN 0.526 nan 8.150 nan 0.000 0.452 365 T N -3.423 111.130 114.554 -0.000 0.000 2.929 365 T HA 0.203 4.554 4.350 0.001 0.000 0.271 365 T C 1.642 176.336 174.700 -0.012 0.000 1.085 365 T CA 1.295 63.391 62.100 -0.007 0.000 1.125 365 T CB -0.759 68.104 68.868 -0.009 0.000 0.874 365 T HN 1.658 nan 8.240 nan 0.000 0.494 366 G N 0.811 109.605 108.800 -0.010 0.000 2.180 366 G HA2 -0.254 3.706 3.960 0.001 0.000 0.263 366 G HA3 -0.254 3.706 3.960 0.001 0.000 0.263 366 G C 0.185 175.073 174.900 -0.019 0.000 0.989 366 G CA 0.226 45.318 45.100 -0.013 0.000 0.692 366 G HN 0.761 nan 8.290 nan 0.000 0.526 367 V N 0.971 120.872 119.914 -0.021 0.000 2.599 367 V HA 0.429 4.549 4.120 0.001 0.000 0.300 367 V C 1.232 177.306 176.094 -0.033 0.000 1.034 367 V CA 0.260 62.542 62.300 -0.029 0.000 1.115 367 V CB 0.788 32.593 31.823 -0.030 0.000 0.934 367 V HN 0.998 nan 8.190 nan 0.000 0.485 368 A N 8.821 131.618 122.820 -0.039 0.000 2.351 368 A HA 0.602 4.922 4.320 0.001 0.000 0.257 368 A C -1.937 175.612 177.584 -0.059 0.000 1.087 368 A CA -1.336 50.676 52.037 -0.041 0.000 0.798 368 A CB -0.001 18.976 19.000 -0.039 0.000 1.033 368 A HN 0.721 nan 8.150 nan 0.000 0.488 369 P HA 0.221 nan 4.420 nan 0.000 0.271 369 P C -0.734 176.503 177.300 -0.105 0.000 1.220 369 P CA 0.077 63.124 63.100 -0.088 0.000 0.768 369 P CB 0.795 32.457 31.700 -0.063 0.000 0.848 370 V N 3.437 123.255 119.914 -0.159 0.000 2.439 370 V HA 0.416 4.536 4.120 0.001 0.000 0.282 370 V C 0.945 176.934 176.094 -0.175 0.000 1.039 370 V CA -0.682 61.522 62.300 -0.159 0.000 0.913 370 V CB 1.016 32.729 31.823 -0.183 0.000 0.983 370 V HN 0.744 nan 8.190 nan 0.000 0.460 371 A N 4.244 126.995 122.820 -0.115 0.000 2.366 371 A HA 0.371 4.691 4.320 0.001 0.000 0.249 371 A C 0.299 177.826 177.584 -0.095 0.000 1.084 371 A CA -0.358 51.625 52.037 -0.090 0.000 0.794 371 A CB 0.090 19.052 19.000 -0.063 0.000 1.034 371 A HN 0.861 nan 8.150 nan 0.000 0.491 372 E N 0.755 120.919 120.200 -0.059 0.000 2.290 372 E HA 0.372 4.722 4.350 0.001 0.000 0.277 372 E C 0.257 176.817 176.600 -0.067 0.000 1.035 372 E CA -0.111 56.268 56.400 -0.034 0.000 0.873 372 E CB 0.892 30.603 29.700 0.019 0.000 1.029 372 E HN 0.727 nan 8.360 nan 0.000 0.419 373 A N 3.361 126.143 122.820 -0.064 0.000 2.477 373 A HA 0.123 4.443 4.320 0.001 0.000 0.246 373 A C 0.646 178.152 177.584 -0.129 0.000 1.078 373 A CA -0.423 51.565 52.037 -0.082 0.000 0.770 373 A CB 0.022 18.984 19.000 -0.063 0.000 1.011 373 A HN 0.677 nan 8.150 nan 0.000 0.494 374 T N 0.461 114.925 114.554 -0.150 0.000 2.856 374 T HA 0.576 4.926 4.350 0.001 0.000 0.306 374 T C 0.794 175.360 174.700 -0.223 0.000 1.062 374 T CA 0.399 62.368 62.100 -0.218 0.000 1.083 374 T CB 0.887 69.639 68.868 -0.193 0.000 0.984 374 T HN 2.604 nan 8.240 nan 0.000 0.542 375 G N 0.887 109.483 108.800 -0.340 0.000 2.384 375 G HA2 0.078 4.038 3.960 0.001 0.000 0.204 375 G HA3 0.078 4.038 3.960 0.001 0.000 0.204 375 G C -1.249 173.336 174.900 -0.526 0.000 1.237 375 G CA -0.759 44.062 45.100 -0.466 0.000 1.060 375 G HN 1.118 nan 8.290 nan 0.000 0.514 376 H N 0.883 119.949 119.070 -0.006 0.000 2.495 376 H HA 0.644 5.200 4.556 0.000 0.000 0.348 376 H C -0.382 174.871 175.328 -0.124 0.000 1.113 376 H CA -0.448 55.583 56.048 -0.029 0.000 1.195 376 H CB 1.921 31.730 29.762 0.078 0.000 1.521 376 H HN 0.383 nan 8.280 nan 0.000 0.509 377 K N 3.775 124.105 120.400 -0.117 0.000 2.545 377 K HA 0.387 4.708 4.320 0.001 0.000 0.252 377 K C -0.534 175.804 176.600 -0.436 0.000 0.948 377 K CA -0.474 55.650 56.287 -0.271 0.000 0.827 377 K CB 2.287 34.660 32.500 -0.211 0.000 1.128 377 K HN 0.474 nan 8.250 nan 0.000 0.429 378 L N 2.933 123.852 121.223 -0.506 0.000 2.317 378 L HA 0.566 4.906 4.340 0.001 0.000 0.281 378 L C -0.337 176.132 176.870 -0.668 0.000 1.024 378 L CA -0.853 53.745 54.840 -0.402 0.000 0.810 378 L CB 0.699 42.654 42.059 -0.172 0.000 1.240 378 L HN 0.459 nan 8.230 nan 0.000 0.427 379 F N 2.659 122.581 119.950 -0.047 0.000 2.531 379 F HA 0.314 4.842 4.527 0.000 0.000 0.333 379 F C -1.680 174.079 175.800 -0.069 0.000 1.292 379 F CA -1.363 56.602 58.000 -0.058 0.000 1.184 379 F CB 0.744 39.700 39.000 -0.074 0.000 1.426 379 F HN 0.317 nan 8.300 nan 0.000 0.559 380 P HA -0.192 nan 4.420 nan 0.000 0.220 380 P C 1.613 178.893 177.300 -0.033 0.000 1.148 380 P CA 1.234 64.347 63.100 0.022 0.000 0.803 380 P CB 0.254 31.958 31.700 0.006 0.000 0.782 381 A N 0.295 123.050 122.820 -0.108 0.000 2.015 381 A HA -0.096 4.224 4.320 0.001 0.000 0.219 381 A C 1.850 179.207 177.584 -0.379 0.000 1.163 381 A CA 1.641 53.473 52.037 -0.342 0.000 0.646 381 A CB -1.169 17.369 19.000 -0.770 0.000 0.806 381 A HN 0.363 nan 8.150 nan 0.000 0.448 382 M N -3.463 116.006 119.600 -0.217 0.000 2.589 382 M HA 0.347 4.828 4.480 0.001 0.000 0.344 382 M C -0.754 175.507 176.300 -0.065 0.000 1.168 382 M CA -0.116 55.080 55.300 -0.174 0.000 0.956 382 M CB 0.240 32.728 32.600 -0.186 0.000 1.370 382 M HN -0.010 nan 8.290 nan 0.000 0.518 383 D N 2.287 122.679 120.400 -0.014 0.000 2.689 383 D HA -0.123 4.517 4.640 0.001 0.000 0.237 383 D C -0.727 175.594 176.300 0.035 0.000 1.148 383 D CA 0.854 54.874 54.000 0.034 0.000 0.656 383 D CB -0.450 40.367 40.800 0.030 0.000 1.050 383 D HN 0.509 nan 8.370 nan 0.000 0.426 384 R N -0.439 120.100 120.500 0.064 0.000 2.686 384 R HA 0.726 5.066 4.340 0.001 0.000 0.283 384 R C 0.314 176.694 176.300 0.133 0.000 0.978 384 R CA -0.524 55.616 56.100 0.065 0.000 0.897 384 R CB 2.017 32.327 30.300 0.018 0.000 1.192 384 R HN 0.202 nan 8.270 nan 0.000 0.457 385 T N -1.272 113.317 114.554 0.059 0.000 2.903 385 T HA 0.697 5.047 4.350 0.001 0.000 0.299 385 T C -0.221 174.368 174.700 -0.185 0.000 1.093 385 T CA -0.905 61.172 62.100 -0.037 0.000 1.002 385 T CB 1.796 70.668 68.868 0.006 0.000 1.127 385 T HN 0.183 nan 8.240 nan 0.000 0.488 386 M N 2.555 121.924 119.600 -0.386 0.000 2.464 386 M HA 0.470 4.950 4.480 0.001 0.000 0.308 386 M C -1.016 174.926 176.300 -0.597 0.000 1.127 386 M CA -0.516 54.587 55.300 -0.329 0.000 0.913 386 M CB 1.980 34.531 32.600 -0.081 0.000 1.689 386 M HN 0.828 nan 8.290 nan 0.000 0.445 387 H N 1.775 120.919 119.070 0.123 0.000 2.865 387 H HA 0.586 5.142 4.556 0.001 0.000 0.362 387 H C -0.891 174.382 175.328 -0.091 0.000 1.114 387 H CA -0.688 55.444 56.048 0.140 0.000 1.208 387 H CB 2.369 32.391 29.762 0.433 0.000 1.727 387 H HN 0.557 nan 8.280 nan 0.000 0.534 388 R N 0.877 121.179 120.500 -0.331 0.000 2.744 388 R HA 0.664 5.004 4.340 0.001 0.000 0.279 388 R C -0.281 175.348 176.300 -1.118 0.000 0.977 388 R CA -0.866 54.781 56.100 -0.754 0.000 0.906 388 R CB 2.879 32.934 30.300 -0.409 0.000 1.197 388 R HN 0.784 nan 8.270 nan 0.000 0.463 389 G N 1.322 109.032 108.800 -1.818 0.000 2.766 389 G HA2 0.505 4.465 3.960 0.001 0.000 0.288 389 G HA3 0.505 4.465 3.960 0.001 0.000 0.288 389 G C -2.892 171.564 174.900 -0.741 0.000 1.408 389 G CA -1.459 43.021 45.100 -1.034 0.000 0.852 389 G HN 0.240 nan 8.290 nan 0.000 0.487 390 P HA 0.265 nan 4.420 nan 0.000 0.264 390 P C 0.856 178.175 177.300 0.032 0.000 1.229 390 P CA 1.566 64.620 63.100 -0.077 0.000 0.780 390 P CB 0.746 32.457 31.700 0.019 0.000 0.808 391 G N 1.977 110.781 108.800 0.007 0.000 2.176 391 G HA2 -0.145 3.815 3.960 0.001 0.000 0.253 391 G HA3 -0.145 3.815 3.960 0.001 0.000 0.253 391 G C -0.381 174.684 174.900 0.275 0.000 0.979 391 G CA -0.137 45.045 45.100 0.135 0.000 0.641 391 G HN 0.612 nan 8.290 nan 0.000 0.530 392 W N -1.603 119.772 121.300 0.125 0.000 3.137 392 W HA 0.782 5.442 4.660 0.000 0.000 0.324 392 W C -0.709 175.940 176.519 0.216 0.000 1.253 392 W CA -1.489 55.980 57.345 0.207 0.000 1.183 392 W CB 1.133 30.732 29.460 0.232 0.000 1.424 392 W HN 1.036 nan 8.180 nan 0.000 0.566 393 A N 3.001 126.140 122.820 0.530 0.000 2.381 393 A HA 0.638 4.958 4.320 0.001 0.000 0.299 393 A C -2.059 175.870 177.584 0.575 0.000 1.049 393 A CA -0.703 51.543 52.037 0.348 0.000 0.715 393 A CB 1.745 20.819 19.000 0.123 0.000 1.222 393 A HN 0.731 nan 8.150 nan 0.000 0.428 394 L N 2.509 124.076 121.223 0.573 0.000 2.289 394 L HA 0.763 5.103 4.340 0.001 0.000 0.285 394 L C 0.128 177.126 176.870 0.212 0.000 1.049 394 L CA 0.228 55.235 54.840 0.280 0.000 0.804 394 L CB 1.692 43.870 42.059 0.199 0.000 1.195 394 L HN 0.606 nan 8.230 nan 0.000 0.428 395 S N 5.918 121.695 115.700 0.129 0.000 2.498 395 S HA 0.649 5.119 4.470 0.001 0.000 0.317 395 S C -0.764 173.866 174.600 0.049 0.000 1.090 395 S CA -0.725 57.505 58.200 0.051 0.000 1.089 395 S CB 0.378 63.550 63.200 -0.047 0.000 0.997 395 S HN 0.646 nan 8.310 nan 0.000 0.470 396 L N 3.885 125.091 121.223 -0.028 0.000 2.307 396 L HA 0.754 5.095 4.340 0.001 0.000 0.282 396 L C 0.157 176.984 176.870 -0.072 0.000 1.051 396 L CA -0.782 53.954 54.840 -0.173 0.000 0.804 396 L CB 1.615 43.420 42.059 -0.422 0.000 1.197 396 L HN 0.786 nan 8.230 nan 0.000 0.431 397 A N 5.313 128.123 122.820 -0.018 0.000 2.323 397 A HA 0.743 5.063 4.320 0.001 0.000 0.305 397 A C -0.552 177.067 177.584 0.058 0.000 1.275 397 A CA -0.468 51.609 52.037 0.067 0.000 0.804 397 A CB 0.549 19.680 19.000 0.218 0.000 1.152 397 A HN 0.637 nan 8.150 nan 0.000 0.487 398 L N 1.383 122.635 121.223 0.048 0.000 2.421 398 L HA 0.862 5.203 4.340 0.001 0.000 0.267 398 L C 0.587 177.501 176.870 0.074 0.000 1.036 398 L CA -0.815 54.081 54.840 0.093 0.000 0.829 398 L CB 1.865 43.989 42.059 0.107 0.000 1.437 398 L HN 0.782 nan 8.230 nan 0.000 0.488 399 S N -1.021 114.708 115.700 0.048 0.000 2.625 399 S HA 0.875 5.345 4.470 0.001 0.000 0.271 399 S C -0.844 173.700 174.600 -0.093 0.000 1.161 399 S CA -0.272 57.892 58.200 -0.060 0.000 0.820 399 S CB 1.894 64.994 63.200 -0.166 0.000 1.137 399 S HN 0.916 nan 8.310 nan 0.000 0.470 400 S N -0.124 115.478 115.700 -0.165 0.000 2.694 400 S HA 0.379 4.849 4.470 0.001 0.000 0.273 400 S C 0.005 174.516 174.600 -0.148 0.000 1.180 400 S CA -0.244 57.892 58.200 -0.106 0.000 0.864 400 S CB -0.107 63.108 63.200 0.025 0.000 1.198 400 S HN 1.066 nan 8.310 nan 0.000 0.499 401 N N 0.199 118.863 118.700 -0.060 0.000 2.573 401 N HA 0.014 4.754 4.740 0.001 0.000 0.187 401 N C 1.166 176.656 175.510 -0.034 0.000 1.107 401 N CA 0.628 53.647 53.050 -0.051 0.000 0.918 401 N CB -0.306 38.190 38.487 0.015 0.000 0.966 401 N HN 0.548 nan 8.380 nan 0.000 0.448 402 R N -0.794 119.688 120.500 -0.029 0.000 2.279 402 R HA 0.323 4.663 4.340 0.001 0.000 0.195 402 R C -0.337 175.935 176.300 -0.047 0.000 0.905 402 R CA 0.144 56.231 56.100 -0.023 0.000 1.044 402 R CB 0.706 31.000 30.300 -0.009 0.000 1.056 402 R HN 0.201 nan 8.270 nan 0.000 0.535 403 I N 0.866 121.387 120.570 -0.080 0.000 2.499 403 I HA 0.329 4.499 4.170 0.001 0.000 0.288 403 I C -0.033 176.008 176.117 -0.127 0.000 1.048 403 I CA -1.256 59.996 61.300 -0.079 0.000 1.062 403 I CB 1.476 39.438 38.000 -0.065 0.000 1.238 403 I HN -0.019 nan 8.210 nan 0.000 0.426 404 A N 5.943 128.723 122.820 -0.067 0.000 2.425 404 A HA 0.153 4.473 4.320 0.001 0.000 0.242 404 A C 1.029 178.643 177.584 0.050 0.000 1.077 404 A CA -0.114 51.900 52.037 -0.038 0.000 0.781 404 A CB 0.168 19.218 19.000 0.084 0.000 1.020 404 A HN 0.820 nan 8.150 nan 0.000 0.494 405 W N -0.112 121.284 121.300 0.161 0.000 2.321 405 W HA -0.086 4.575 4.660 0.000 0.000 0.306 405 W C 0.660 177.362 176.519 0.305 0.000 1.217 405 W CA 2.457 59.928 57.345 0.212 0.000 1.257 405 W CB -0.844 28.758 29.460 0.237 0.000 1.145 405 W HN 0.793 nan 8.180 nan 0.000 0.509 406 Y N -3.365 117.094 120.300 0.264 0.000 2.732 406 Y HA 0.421 4.972 4.550 0.001 0.000 0.342 406 Y C -1.279 174.679 175.900 0.096 0.000 1.203 406 Y CA -1.560 56.615 58.100 0.126 0.000 1.092 406 Y CB 0.610 39.126 38.460 0.094 0.000 1.345 406 Y HN -0.188 nan 8.280 nan 0.000 0.458 407 E N 2.329 122.485 120.200 -0.074 0.000 2.151 407 E HA 0.602 4.952 4.350 0.001 0.000 0.275 407 E C -1.100 175.312 176.600 -0.314 0.000 0.936 407 E CA -0.803 55.475 56.400 -0.204 0.000 0.777 407 E CB 1.257 31.014 29.700 0.094 0.000 1.108 407 E HN 0.866 nan 8.360 nan 0.000 0.401 408 C N 2.153 121.100 119.300 -0.589 0.000 2.562 408 C HA 1.074 5.535 4.460 0.001 0.000 0.332 408 C C 0.363 174.876 174.990 -0.795 0.000 1.201 408 C CA -0.109 58.626 59.018 -0.471 0.000 1.803 408 C CB 0.419 27.966 27.740 -0.321 0.000 2.328 408 C HN 0.822 nan 8.230 nan 0.000 0.500 409 G N 1.439 109.791 108.800 -0.747 0.000 2.404 409 G HA2 0.471 4.432 3.960 0.001 0.000 0.298 409 G HA3 0.471 4.432 3.960 0.001 0.000 0.298 409 G C -0.718 173.935 174.900 -0.413 0.000 1.577 409 G CA -0.523 43.878 45.100 -1.164 0.000 0.847 409 G HN 1.089 nan 8.290 nan 0.000 0.598 410 N N -0.945 117.693 118.700 -0.103 0.000 2.714 410 N HA -0.185 4.555 4.740 0.001 0.000 0.250 410 N C 1.545 177.052 175.510 -0.006 0.000 1.117 410 N CA 2.914 56.003 53.050 0.064 0.000 0.719 410 N CB -1.082 37.498 38.487 0.154 0.000 1.081 410 N HN 2.466 nan 8.380 nan 0.000 0.557 411 G N -1.104 107.664 108.800 -0.053 0.000 2.143 411 G HA2 -0.300 3.660 3.960 0.001 0.000 0.249 411 G HA3 -0.300 3.660 3.960 0.001 0.000 0.249 411 G C -0.377 174.500 174.900 -0.038 0.000 0.981 411 G CA 0.513 45.591 45.100 -0.035 0.000 0.665 411 G HN 0.566 nan 8.290 nan 0.000 0.528 412 E N -0.325 119.833 120.200 -0.070 0.000 2.187 412 E HA 0.518 4.869 4.350 0.001 0.000 0.268 412 E C 0.581 177.146 176.600 -0.059 0.000 0.896 412 E CA -0.749 55.627 56.400 -0.040 0.000 0.766 412 E CB 1.232 30.916 29.700 -0.027 0.000 1.142 412 E HN 0.145 nan 8.360 nan 0.000 0.408 413 N N 2.024 120.710 118.700 -0.025 0.000 2.776 413 N HA -0.179 4.562 4.740 0.001 0.000 0.250 413 N C 0.141 175.662 175.510 0.018 0.000 1.112 413 N CA 0.516 53.556 53.050 -0.016 0.000 0.733 413 N CB -1.074 37.419 38.487 0.009 0.000 1.097 413 N HN 0.489 nan 8.380 nan 0.000 0.558 414 N N -0.120 118.563 118.700 -0.028 0.000 2.364 414 N HA -0.104 4.636 4.740 0.001 0.000 0.183 414 N C 1.522 177.037 175.510 0.007 0.000 1.022 414 N CA 0.905 53.979 53.050 0.040 0.000 0.883 414 N CB -0.120 38.358 38.487 -0.015 0.000 0.965 414 N HN 0.517 nan 8.380 nan 0.000 0.438 415 R N 0.006 120.326 120.500 -0.300 0.000 2.317 415 R HA 0.148 4.488 4.340 0.001 0.000 0.208 415 R C 1.188 176.813 176.300 -1.125 0.000 0.914 415 R CA -0.027 55.613 56.100 -0.766 0.000 1.060 415 R CB 0.076 29.787 30.300 -0.981 0.000 1.015 415 R HN 0.053 nan 8.270 nan 0.000 0.498 416 G N 0.158 108.605 108.800 -0.588 0.000 3.279 416 G HA2 -0.124 3.836 3.960 0.001 0.000 0.230 416 G HA3 -0.124 3.836 3.960 0.001 0.000 0.230 416 G C 0.458 174.864 174.900 -0.823 0.000 1.230 416 G CA -0.301 44.587 45.100 -0.354 0.000 0.891 416 G HN 0.434 nan 8.290 nan 0.000 0.518 417 Y N -2.008 117.658 120.300 -1.057 0.000 2.571 417 Y HA 0.110 4.661 4.550 0.000 0.000 0.294 417 Y C 1.858 177.354 175.900 -0.675 0.000 1.141 417 Y CA -0.157 57.091 58.100 -1.419 0.000 1.308 417 Y CB -0.398 37.356 38.460 -1.177 0.000 1.002 417 Y HN 0.316 nan 8.280 nan 0.000 0.551 418 H N 0.134 119.160 119.070 -0.073 0.000 2.551 418 H HA 0.124 4.680 4.556 0.001 0.000 0.271 418 H C 1.637 177.028 175.328 0.105 0.000 0.984 418 H CA 0.943 57.032 56.048 0.069 0.000 1.164 418 H CB -0.029 29.784 29.762 0.084 0.000 1.437 418 H HN 0.555 nan 8.280 nan 0.000 0.550 419 T N -2.413 112.248 114.554 0.178 0.000 3.072 419 T HA -0.018 4.332 4.350 0.001 0.000 0.266 419 T C 1.956 176.803 174.700 0.244 0.000 1.127 419 T CA 0.868 63.107 62.100 0.232 0.000 1.107 419 T CB -0.177 68.815 68.868 0.206 0.000 0.910 419 T HN 0.296 nan 8.240 nan 0.000 0.513 420 G N 0.285 109.248 108.800 0.272 0.000 3.434 420 G HA2 0.296 4.256 3.960 0.001 0.000 0.258 420 G HA3 0.296 4.256 3.960 0.001 0.000 0.258 420 G C 0.663 175.738 174.900 0.292 0.000 1.128 420 G CA -0.449 44.811 45.100 0.265 0.000 0.792 420 G HN 0.463 nan 8.290 nan 0.000 0.539 421 S N 0.629 116.511 115.700 0.303 0.000 2.582 421 S HA 0.431 4.901 4.470 0.001 0.000 0.249 421 S C 1.317 176.095 174.600 0.296 0.000 1.072 421 S CA 0.257 58.640 58.200 0.306 0.000 1.115 421 S CB 0.041 63.425 63.200 0.308 0.000 0.790 421 S HN 1.085 nan 8.310 nan 0.000 0.459 422 G N 2.219 111.198 108.800 0.299 0.000 2.255 422 G HA2 -0.214 3.747 3.960 0.001 0.000 0.239 422 G HA3 -0.214 3.747 3.960 0.001 0.000 0.239 422 G C -0.065 175.002 174.900 0.279 0.000 1.083 422 G CA -0.531 44.814 45.100 0.409 0.000 0.826 422 G HN 0.444 nan 8.290 nan 0.000 0.493 423 M N 1.255 120.935 119.600 0.134 0.000 2.245 423 M HA 0.320 4.800 4.480 0.001 0.000 0.344 423 M C 1.061 177.340 176.300 -0.035 0.000 1.170 423 M CA 1.045 56.365 55.300 0.033 0.000 1.135 423 M CB 0.601 33.161 32.600 -0.066 0.000 1.574 423 M HN 0.478 nan 8.290 nan 0.000 0.452 424 T N 0.617 115.153 114.554 -0.029 0.000 2.947 424 T HA 0.422 4.772 4.350 0.001 0.000 0.337 424 T C -0.941 173.694 174.700 -0.108 0.000 1.139 424 T CA -0.677 61.373 62.100 -0.084 0.000 0.992 424 T CB -0.280 68.668 68.868 0.133 0.000 1.043 424 T HN 0.345 nan 8.240 nan 0.000 0.498 425 Y N 2.395 122.580 120.300 -0.192 0.000 2.404 425 Y HA 0.429 4.979 4.550 0.000 0.000 0.344 425 Y C -0.032 175.856 175.900 -0.020 0.000 0.995 425 Y CA -1.409 56.583 58.100 -0.180 0.000 1.201 425 Y CB 0.324 38.590 38.460 -0.323 0.000 1.151 425 Y HN 0.596 nan 8.280 nan 0.000 0.517 426 F N 3.812 124.042 119.950 0.466 0.000 2.303 426 F HA 0.289 4.817 4.527 0.001 0.000 0.368 426 F C -0.498 175.618 175.800 0.528 0.000 1.105 426 F CA -1.021 57.288 58.000 0.516 0.000 1.153 426 F CB -0.021 39.279 39.000 0.499 0.000 1.362 426 F HN 0.395 nan 8.300 nan 0.000 0.511 427 Y N 1.591 122.239 120.300 0.580 0.000 2.359 427 Y HA 0.411 4.961 4.550 0.000 0.000 0.330 427 Y C 0.985 177.133 175.900 0.413 0.000 1.143 427 Y CA -0.290 58.079 58.100 0.449 0.000 1.318 427 Y CB 0.991 39.635 38.460 0.308 0.000 1.234 427 Y HN 0.614 nan 8.280 nan 0.000 0.522 428 T N -3.286 111.532 114.554 0.440 0.000 2.590 428 T HA 0.214 4.564 4.350 0.001 0.000 0.282 428 T C 0.918 175.762 174.700 0.240 0.000 0.989 428 T CA -0.212 62.096 62.100 0.347 0.000 1.091 428 T CB 0.598 69.656 68.868 0.317 0.000 1.460 428 T HN 0.410 nan 8.240 nan 0.000 0.499 429 S N -0.526 115.280 115.700 0.178 0.000 2.500 429 S HA -0.049 4.421 4.470 0.001 0.000 0.239 429 S C 0.670 175.320 174.600 0.084 0.000 0.989 429 S CA 1.050 59.325 58.200 0.125 0.000 0.951 429 S CB -0.923 62.335 63.200 0.097 0.000 0.759 429 S HN 0.776 nan 8.310 nan 0.000 0.523 430 D N 1.442 121.892 120.400 0.084 0.000 2.498 430 D HA 0.182 4.823 4.640 0.001 0.000 0.229 430 D C 0.900 177.169 176.300 -0.051 0.000 1.188 430 D CA -0.161 53.846 54.000 0.012 0.000 1.028 430 D CB -0.373 40.455 40.800 0.045 0.000 1.087 430 D HN 0.322 nan 8.370 nan 0.000 0.510 431 L N 1.867 123.029 121.223 -0.103 0.000 2.131 431 L HA 0.007 4.347 4.340 0.001 0.000 0.210 431 L C 2.250 178.854 176.870 -0.442 0.000 1.092 431 L CA 1.113 55.892 54.840 -0.102 0.000 0.759 431 L CB -0.074 41.967 42.059 -0.031 0.000 0.903 431 L HN 0.431 nan 8.230 nan 0.000 0.435 432 G N -1.274 106.990 108.800 -0.894 0.000 3.026 432 G HA2 -0.133 3.828 3.960 0.001 0.000 0.208 432 G HA3 -0.133 3.828 3.960 0.001 0.000 0.208 432 G C 1.293 176.076 174.900 -0.195 0.000 1.169 432 G CA -0.008 44.547 45.100 -0.908 0.000 0.788 432 G HN 0.227 nan 8.290 nan 0.000 0.533 433 Q N 0.763 120.420 119.800 -0.239 0.000 2.047 433 Q HA -0.239 4.101 4.340 0.001 0.000 0.211 433 Q C 1.402 177.004 176.000 -0.665 0.000 1.005 433 Q CA 1.896 57.402 55.803 -0.495 0.000 0.866 433 Q CB -0.510 27.738 28.738 -0.816 0.000 0.938 433 Q HN 0.649 nan 8.270 nan 0.000 0.414 434 Y N -1.417 118.706 120.300 -0.295 0.000 2.457 434 Y HA 0.198 4.749 4.550 0.001 0.000 0.263 434 Y C 1.068 177.004 175.900 0.059 0.000 1.164 434 Y CA 0.225 58.057 58.100 -0.446 0.000 1.274 434 Y CB 0.452 38.624 38.460 -0.480 0.000 1.097 434 Y HN 0.252 nan 8.280 nan 0.000 0.523 435 D N -0.283 120.294 120.400 0.294 0.000 2.423 435 D HA -0.077 4.564 4.640 0.001 0.000 0.212 435 D C 0.134 176.738 176.300 0.508 0.000 1.060 435 D CA 0.309 54.606 54.000 0.495 0.000 0.872 435 D CB 0.259 41.435 40.800 0.626 0.000 1.012 435 D HN 0.038 nan 8.370 nan 0.000 0.503 436 D N 0.095 120.728 120.400 0.388 0.000 2.619 436 D HA 0.359 4.999 4.640 0.001 0.000 0.224 436 D C 0.323 176.826 176.300 0.340 0.000 1.133 436 D CA 0.295 54.529 54.000 0.391 0.000 1.017 436 D CB -0.492 40.538 40.800 0.384 0.000 1.077 436 D HN 0.221 nan 8.370 nan 0.000 0.503 437 A N 2.488 125.591 122.820 0.473 0.000 2.816 437 A HA -0.322 3.999 4.320 0.001 0.000 0.270 437 A C 1.284 178.943 177.584 0.124 0.000 1.413 437 A CA 1.107 53.352 52.037 0.347 0.000 0.866 437 A CB -2.760 16.365 19.000 0.207 0.000 1.032 437 A HN 0.633 nan 8.150 nan 0.000 0.642 438 F N -1.151 118.824 119.950 0.041 0.000 2.102 438 F HA -0.042 4.486 4.527 0.000 0.000 0.298 438 F C 1.700 177.352 175.800 -0.246 0.000 1.105 438 F CA 2.629 60.541 58.000 -0.146 0.000 1.239 438 F CB -0.232 38.590 39.000 -0.298 0.000 0.991 438 F HN 0.485 nan 8.300 nan 0.000 0.474 439 W N -0.312 121.106 121.300 0.196 0.000 2.800 439 W HA 0.163 4.823 4.660 0.001 0.000 0.249 439 W C 2.231 178.518 176.519 -0.387 0.000 1.294 439 W CA 0.591 57.935 57.345 -0.001 0.000 1.402 439 W CB -0.386 29.289 29.460 0.358 0.000 1.126 439 W HN 0.074 nan 8.180 nan 0.000 0.652 440 A N -0.284 122.130 122.820 -0.678 0.000 2.021 440 A HA -0.056 4.265 4.320 0.001 0.000 0.216 440 A C 1.895 179.299 177.584 -0.300 0.000 1.163 440 A CA 1.795 53.391 52.037 -0.734 0.000 0.676 440 A CB -0.729 17.510 19.000 -1.270 0.000 0.818 440 A HN 0.231 nan 8.150 nan 0.000 0.453 441 T N -4.046 110.356 114.554 -0.255 0.000 2.959 441 T HA 0.571 4.921 4.350 0.001 0.000 0.254 441 T C 0.884 175.369 174.700 -0.358 0.000 1.003 441 T CA 0.542 62.537 62.100 -0.176 0.000 0.950 441 T CB -0.359 68.508 68.868 -0.003 0.000 1.090 441 T HN 0.546 nan 8.240 nan 0.000 0.503 442 A N 2.370 124.822 122.820 -0.614 0.000 2.448 442 A HA 0.421 4.741 4.320 0.001 0.000 0.239 442 A C 0.475 177.700 177.584 -0.599 0.000 1.080 442 A CA -0.414 51.034 52.037 -0.982 0.000 0.779 442 A CB -0.205 17.868 19.000 -1.546 0.000 1.026 442 A HN 0.391 nan 8.150 nan 0.000 0.499 443 N N 0.807 119.195 118.700 -0.520 0.000 2.399 443 N HA 0.068 4.808 4.740 0.001 0.000 0.259 443 N C 0.004 175.269 175.510 -0.408 0.000 1.160 443 N CA 0.223 52.980 53.050 -0.488 0.000 0.946 443 N CB -0.184 37.857 38.487 -0.743 0.000 1.156 443 N HN 0.566 nan 8.380 nan 0.000 0.489 444 Y N 1.846 122.012 120.300 -0.224 0.000 2.651 444 Y HA -0.012 4.539 4.550 0.001 0.000 0.296 444 Y C 1.260 177.149 175.900 -0.017 0.000 1.150 444 Y CA 0.681 58.714 58.100 -0.111 0.000 1.348 444 Y CB 0.140 38.511 38.460 -0.149 0.000 0.983 444 Y HN 0.547 nan 8.280 nan 0.000 0.555 445 N N -0.225 118.481 118.700 0.011 0.000 2.236 445 N HA 0.093 4.833 4.740 0.001 0.000 0.196 445 N C 0.236 175.552 175.510 -0.323 0.000 1.114 445 N CA 0.352 53.339 53.050 -0.105 0.000 0.859 445 N CB 0.345 38.788 38.487 -0.073 0.000 0.982 445 N HN 0.321 nan 8.380 nan 0.000 0.493 446 R N 0.479 120.740 120.500 -0.399 0.000 2.635 446 R HA 0.316 4.657 4.340 0.001 0.000 0.393 446 R C -0.479 175.556 176.300 -0.442 0.000 1.070 446 R CA -0.230 55.577 56.100 -0.489 0.000 1.118 446 R CB 0.628 30.529 30.300 -0.665 0.000 1.341 446 R HN -0.027 nan 8.270 nan 0.000 0.628 447 L N 2.679 123.759 121.223 -0.239 0.000 2.461 447 L HA 0.211 4.551 4.340 0.001 0.000 0.272 447 L C -1.749 175.107 176.870 -0.022 0.000 1.197 447 L CA -1.652 53.136 54.840 -0.087 0.000 0.836 447 L CB 0.129 42.178 42.059 -0.017 0.000 1.105 447 L HN -0.107 nan 8.230 nan 0.000 0.477 448 P HA 0.012 nan 4.420 nan 0.000 0.267 448 P C 0.715 178.068 177.300 0.089 0.000 1.205 448 P CA 0.722 63.871 63.100 0.082 0.000 0.765 448 P CB 0.994 32.763 31.700 0.116 0.000 0.828 449 G N 3.036 111.932 108.800 0.160 0.000 2.241 449 G HA2 -0.258 3.702 3.960 0.001 0.000 0.244 449 G HA3 -0.258 3.702 3.960 0.001 0.000 0.244 449 G C 0.327 175.377 174.900 0.249 0.000 0.998 449 G CA 0.224 45.501 45.100 0.294 0.000 0.621 449 G HN 0.726 nan 8.290 nan 0.000 0.519 450 I N -0.052 120.596 120.570 0.130 0.000 2.882 450 I HA 0.670 4.841 4.170 0.001 0.000 0.286 450 I C 0.216 176.374 176.117 0.069 0.000 1.139 450 I CA -0.165 61.211 61.300 0.126 0.000 1.379 450 I CB 0.921 38.959 38.000 0.063 0.000 1.410 450 I HN 0.002 nan 8.210 nan 0.000 0.594 451 T N 4.370 118.986 114.554 0.105 0.000 2.867 451 T HA 0.562 4.912 4.350 0.001 0.000 0.282 451 T C -0.634 174.072 174.700 0.009 0.000 1.000 451 T CA -0.481 61.662 62.100 0.073 0.000 1.042 451 T CB 1.700 70.651 68.868 0.138 0.000 0.973 451 T HN 0.584 nan 8.240 nan 0.000 0.465 452 V N 3.176 123.061 119.914 -0.049 0.000 2.711 452 V HA 0.373 4.493 4.120 0.001 0.000 0.304 452 V C -1.411 174.621 176.094 -0.105 0.000 1.097 452 V CA -0.944 61.256 62.300 -0.167 0.000 0.906 452 V CB 2.028 33.609 31.823 -0.403 0.000 1.015 452 V HN 0.924 nan 8.190 nan 0.000 0.427 453 D N 4.031 124.392 120.400 -0.066 0.000 2.348 453 D HA 0.139 4.780 4.640 0.001 0.000 0.253 453 D C 1.246 177.501 176.300 -0.074 0.000 1.161 453 D CA 0.566 54.538 54.000 -0.046 0.000 0.876 453 D CB 2.151 42.938 40.800 -0.022 0.000 1.160 453 D HN 0.859 nan 8.370 nan 0.000 0.459 454 T N 0.167 114.670 114.554 -0.084 0.000 3.160 454 T HA -0.019 4.331 4.350 0.001 0.000 0.257 454 T C 0.833 175.487 174.700 -0.076 0.000 1.147 454 T CA -0.152 61.887 62.100 -0.102 0.000 1.064 454 T CB -0.448 68.347 68.868 -0.122 0.000 0.949 454 T HN 0.284 nan 8.240 nan 0.000 0.526 455 T N 4.928 119.443 114.554 -0.065 0.000 2.822 455 T HA 0.172 4.522 4.350 0.001 0.000 0.288 455 T C -2.350 172.300 174.700 -0.083 0.000 0.991 455 T CA -0.590 61.465 62.100 -0.074 0.000 1.176 455 T CB 0.315 69.135 68.868 -0.080 0.000 0.951 455 T HN 0.281 nan 8.240 nan 0.000 0.526 456 P HA 0.236 nan 4.420 nan 0.000 0.268 456 P C -0.519 176.672 177.300 -0.181 0.000 1.204 456 P CA -0.156 62.885 63.100 -0.099 0.000 0.768 456 P CB 0.470 32.121 31.700 -0.080 0.000 0.842 457 L N 5.111 126.149 121.223 -0.310 0.000 2.334 457 L HA 0.561 4.902 4.340 0.001 0.000 0.273 457 L C -1.913 174.700 176.870 -0.428 0.000 1.013 457 L CA -2.284 52.245 54.840 -0.520 0.000 0.816 457 L CB 1.661 43.078 42.059 -1.070 0.000 1.278 457 L HN 0.248 nan 8.230 nan 0.000 0.431 458 P HA 0.145 nan 4.420 nan 0.000 0.276 458 P C -1.156 176.099 177.300 -0.075 0.000 1.244 458 P CA -0.554 62.456 63.100 -0.151 0.000 0.801 458 P CB 0.708 32.339 31.700 -0.115 0.000 1.006 459 D N 1.369 121.791 120.400 0.037 0.000 2.472 459 D HA -0.001 4.639 4.640 0.001 0.000 0.237 459 D C 0.732 177.084 176.300 0.087 0.000 1.141 459 D CA 0.646 54.714 54.000 0.114 0.000 0.875 459 D CB 0.079 40.901 40.800 0.037 0.000 1.192 459 D HN 0.349 nan 8.370 nan 0.000 0.450 460 K N -1.437 119.070 120.400 0.179 0.000 3.341 460 K HA -0.184 4.137 4.320 0.001 0.000 0.305 460 K C 0.037 176.704 176.600 0.110 0.000 1.270 460 K CA -0.027 56.341 56.287 0.134 0.000 0.897 460 K CB -1.684 30.822 32.500 0.009 0.000 1.264 460 K HN 0.288 nan 8.250 nan 0.000 0.468 461 V N 2.078 122.043 119.914 0.085 0.000 2.814 461 V HA -0.118 4.003 4.120 0.001 0.000 0.307 461 V C 1.302 177.433 176.094 0.061 0.000 1.089 461 V CA 1.424 63.695 62.300 -0.048 0.000 1.212 461 V CB 0.516 32.154 31.823 -0.308 0.000 0.912 461 V HN 0.560 nan 8.190 nan 0.000 0.497 462 E N 2.571 122.766 120.200 -0.009 0.000 3.799 462 E HA -0.210 4.140 4.350 0.001 0.000 0.320 462 E C 0.532 177.188 176.600 0.093 0.000 0.760 462 E CA 1.411 57.850 56.400 0.064 0.000 1.153 462 E CB -1.857 27.914 29.700 0.119 0.000 1.589 462 E HN 2.117 nan 8.360 nan 0.000 0.448 463 G N 0.063 108.886 108.800 0.038 0.000 2.699 463 G HA2 -0.190 3.770 3.960 0.001 0.000 0.686 463 G HA3 -0.190 3.770 3.960 0.001 0.000 0.686 463 G C -0.448 174.382 174.900 -0.117 0.000 1.301 463 G CA -0.066 45.030 45.100 -0.005 0.000 0.816 463 G HN 0.093 nan 8.290 nan 0.000 0.595 464 Q N -0.875 118.831 119.800 -0.158 0.000 2.318 464 Q HA 0.446 4.786 4.340 0.001 0.000 0.222 464 Q C 0.275 176.143 176.000 -0.220 0.000 1.003 464 Q CA 0.209 55.770 55.803 -0.403 0.000 0.936 464 Q CB 0.581 28.970 28.738 -0.581 0.000 1.204 464 Q HN 0.913 nan 8.270 nan 0.000 0.524 465 W N -0.522 120.740 121.300 -0.064 0.000 4.849 465 W HA -0.221 4.439 4.660 0.001 0.000 0.358 465 W C 0.980 177.501 176.519 0.002 0.000 1.331 465 W CA 0.163 57.495 57.345 -0.021 0.000 0.844 465 W CB -2.114 27.309 29.460 -0.061 0.000 2.434 465 W HN 1.054 nan 8.180 nan 0.000 1.458 466 G N -0.815 108.031 108.800 0.077 0.000 2.283 466 G HA2 -0.103 3.857 3.960 0.001 0.000 0.280 466 G HA3 -0.103 3.857 3.960 0.001 0.000 0.280 466 G C 1.084 176.060 174.900 0.127 0.000 1.029 466 G CA 0.501 45.658 45.100 0.095 0.000 0.840 466 G HN 1.340 nan 8.290 nan 0.000 0.505 467 A N -1.209 121.688 122.820 0.128 0.000 2.066 467 A HA 0.618 4.938 4.320 0.001 0.000 0.218 467 A C 1.645 179.303 177.584 0.124 0.000 1.157 467 A CA 2.099 54.213 52.037 0.127 0.000 0.670 467 A CB 0.058 19.133 19.000 0.126 0.000 0.804 467 A HN 2.118 nan 8.150 nan 0.000 0.453 468 A N -0.353 122.570 122.820 0.170 0.000 2.355 468 A HA 0.641 4.961 4.320 0.001 0.000 0.324 468 A C -0.275 177.395 177.584 0.143 0.000 1.117 468 A CA -0.018 52.146 52.037 0.212 0.000 0.785 468 A CB 1.286 20.502 19.000 0.361 0.000 1.254 468 A HN 1.196 nan 8.150 nan 0.000 0.453 469 V N -0.791 119.088 119.914 -0.059 0.000 2.914 469 V HA 0.823 4.943 4.120 0.001 0.000 0.314 469 V C -2.918 172.756 176.094 -0.699 0.000 1.084 469 V CA -2.570 59.480 62.300 -0.417 0.000 0.963 469 V CB 1.764 33.451 31.823 -0.227 0.000 1.025 469 V HN 0.720 nan 8.190 nan 0.000 0.432 470 P HA 0.257 nan 4.420 nan 0.000 0.271 470 P C -0.107 177.034 177.300 -0.265 0.000 1.220 470 P CA 0.218 62.882 63.100 -0.727 0.000 0.768 470 P CB 1.182 32.447 31.700 -0.725 0.000 0.848 471 A N 3.465 126.237 122.820 -0.079 0.000 3.037 471 A HA 0.197 4.517 4.320 0.001 0.000 0.272 471 A C 0.545 178.137 177.584 0.013 0.000 1.723 471 A CA -0.374 51.657 52.037 -0.010 0.000 1.413 471 A CB -1.035 17.991 19.000 0.043 0.000 1.112 471 A HN 0.579 nan 8.150 nan 0.000 0.606 472 D N -0.459 119.930 120.400 -0.018 0.000 2.437 472 D HA 0.197 4.837 4.640 0.001 0.000 0.259 472 D C 0.525 176.976 176.300 0.252 0.000 1.118 472 D CA -0.553 53.460 54.000 0.022 0.000 1.017 472 D CB 0.605 41.291 40.800 -0.191 0.000 1.120 472 D HN 0.294 nan 8.370 nan 0.000 0.541 473 E N -0.821 119.690 120.200 0.518 0.000 2.046 473 E HA 0.070 4.420 4.350 0.001 0.000 0.190 473 E C -0.069 176.836 176.600 0.507 0.000 0.982 473 E CA 0.909 57.552 56.400 0.405 0.000 0.800 473 E CB 0.099 29.982 29.700 0.305 0.000 0.756 473 E HN 0.603 nan 8.360 nan 0.000 0.449 474 W N -1.677 119.840 121.300 0.361 0.000 3.173 474 W HA 0.520 5.180 4.660 0.000 0.000 0.313 474 W C -1.741 174.967 176.519 0.316 0.000 1.228 474 W CA -0.787 56.719 57.345 0.268 0.000 1.185 474 W CB 0.465 30.047 29.460 0.205 0.000 1.390 474 W HN -0.353 nan 8.180 nan 0.000 0.568 475 S N 0.499 116.558 115.700 0.598 0.000 2.536 475 S HA 0.943 5.413 4.470 0.001 0.000 0.287 475 S C -0.103 174.851 174.600 0.589 0.000 1.101 475 S CA 0.072 58.589 58.200 0.528 0.000 0.950 475 S CB 2.210 65.576 63.200 0.277 0.000 1.056 475 S HN 1.134 nan 8.310 nan 0.000 0.481 476 G N 0.467 109.630 108.800 0.604 0.000 2.341 476 G HA2 0.777 4.737 3.960 0.001 0.000 0.299 476 G HA3 0.777 4.737 3.960 0.001 0.000 0.299 476 G C -1.938 173.145 174.900 0.305 0.000 1.274 476 G CA 0.075 45.379 45.100 0.340 0.000 0.853 476 G HN 1.243 nan 8.290 nan 0.000 0.493 477 A N -1.723 121.185 122.820 0.147 0.000 2.597 477 A HA 0.946 5.266 4.320 0.001 0.000 0.292 477 A C -0.655 176.962 177.584 0.055 0.000 1.057 477 A CA 0.518 52.633 52.037 0.130 0.000 0.674 477 A CB 1.455 20.533 19.000 0.129 0.000 1.278 477 A HN 1.862 nan 8.150 nan 0.000 0.416 478 T N -0.995 113.596 114.554 0.062 0.000 2.787 478 T HA 0.893 5.243 4.350 0.001 0.000 0.297 478 T C -1.392 173.325 174.700 0.028 0.000 1.221 478 T CA 0.354 62.474 62.100 0.032 0.000 1.006 478 T CB 1.642 70.527 68.868 0.029 0.000 1.328 478 T HN 2.451 nan 8.240 nan 0.000 0.509 479 A N 1.508 124.338 122.820 0.017 0.000 2.566 479 A HA 0.755 5.075 4.320 0.001 0.000 0.297 479 A C -2.082 175.529 177.584 0.044 0.000 1.059 479 A CA -0.578 51.460 52.037 0.002 0.000 0.691 479 A CB 1.588 20.575 19.000 -0.022 0.000 1.282 479 A HN 0.883 nan 8.150 nan 0.000 0.401 480 L N 2.353 123.613 121.223 0.061 0.000 2.376 480 L HA 0.714 5.054 4.340 0.001 0.000 0.275 480 L C 0.880 177.810 176.870 0.100 0.000 0.987 480 L CA 1.480 56.365 54.840 0.075 0.000 0.828 480 L CB 1.322 43.426 42.059 0.076 0.000 1.249 480 L HN 2.340 nan 8.230 nan 0.000 0.409 481 G N 4.117 112.977 108.800 0.099 0.000 2.651 481 G HA2 -0.390 3.571 3.960 0.001 0.000 0.315 481 G HA3 -0.390 3.571 3.960 0.001 0.000 0.315 481 G C 0.571 175.565 174.900 0.156 0.000 1.258 481 G CA 0.723 45.884 45.100 0.101 0.000 1.002 481 G HN 1.041 nan 8.290 nan 0.000 0.551 482 E N -0.278 119.998 120.200 0.127 0.000 2.502 482 E HA 0.346 4.696 4.350 0.001 0.000 0.194 482 E C 0.432 177.208 176.600 0.293 0.000 1.062 482 E CA 0.524 57.014 56.400 0.149 0.000 0.867 482 E CB 0.174 29.910 29.700 0.061 0.000 0.888 482 E HN 0.413 nan 8.360 nan 0.000 0.510 483 V N 1.265 121.287 119.914 0.180 0.000 2.540 483 V HA 0.622 4.742 4.120 0.001 0.000 0.302 483 V C -0.217 175.784 176.094 -0.155 0.000 1.035 483 V CA -0.690 61.617 62.300 0.012 0.000 0.873 483 V CB 1.532 33.312 31.823 -0.071 0.000 0.992 483 V HN 0.342 nan 8.190 nan 0.000 0.428 484 A N 3.517 126.094 122.820 -0.404 0.000 2.356 484 A HA 0.991 5.311 4.320 0.001 0.000 0.323 484 A C -0.219 177.389 177.584 0.040 0.000 1.119 484 A CA -0.416 51.434 52.037 -0.313 0.000 0.790 484 A CB 1.697 20.357 19.000 -0.566 0.000 1.273 484 A HN 1.387 nan 8.150 nan 0.000 0.452 485 A N 1.086 123.983 122.820 0.128 0.000 2.330 485 A HA 0.674 4.995 4.320 0.001 0.000 0.313 485 A C -0.937 176.727 177.584 0.134 0.000 1.124 485 A CA -0.426 51.744 52.037 0.222 0.000 0.774 485 A CB 0.948 20.182 19.000 0.390 0.000 1.198 485 A HN 1.180 nan 8.150 nan 0.000 0.465 486 V N 1.566 121.526 119.914 0.077 0.000 2.656 486 V HA 0.840 4.960 4.120 0.001 0.000 0.307 486 V C 0.529 176.838 176.094 0.358 0.000 1.051 486 V CA -0.116 62.340 62.300 0.261 0.000 0.893 486 V CB 2.052 34.050 31.823 0.292 0.000 0.999 486 V HN 1.245 nan 8.190 nan 0.000 0.426 487 G N 2.492 111.581 108.800 0.481 0.000 2.563 487 G HA2 0.696 4.656 3.960 0.001 0.000 0.302 487 G HA3 0.696 4.656 3.960 0.001 0.000 0.302 487 G C -1.518 173.619 174.900 0.396 0.000 1.301 487 G CA -0.511 44.816 45.100 0.377 0.000 0.965 487 G HN 0.643 nan 8.290 nan 0.000 0.480 488 Q N 0.049 120.068 119.800 0.366 0.000 2.263 488 Q HA 0.225 4.566 4.340 0.001 0.000 0.266 488 Q C -1.339 174.702 176.000 0.069 0.000 1.002 488 Q CA -0.745 55.224 55.803 0.275 0.000 0.790 488 Q CB 1.515 30.509 28.738 0.426 0.000 1.272 488 Q HN 0.839 nan 8.270 nan 0.000 0.435 489 H N 5.658 124.610 119.070 -0.197 0.000 3.004 489 H HA 0.168 4.725 4.556 0.000 0.000 0.267 489 H C -0.854 174.388 175.328 -0.144 0.000 1.165 489 H CA -0.608 55.201 56.048 -0.398 0.000 1.450 489 H CB 0.632 30.157 29.762 -0.395 0.000 1.488 489 H HN 0.504 nan 8.280 nan 0.000 0.478 490 L N 6.727 127.855 121.223 -0.158 0.000 2.360 490 L HA 0.134 4.474 4.340 0.001 0.000 0.276 490 L C -1.070 175.655 176.870 -0.242 0.000 1.121 490 L CA -0.004 54.775 54.840 -0.101 0.000 0.845 490 L CB 0.776 42.864 42.059 0.049 0.000 1.143 490 L HN 0.379 nan 8.230 nan 0.000 0.452 491 V N 5.615 125.444 119.914 -0.141 0.000 2.417 491 V HA 0.592 4.712 4.120 0.001 0.000 0.291 491 V C 0.806 177.090 176.094 0.317 0.000 1.024 491 V CA -0.420 61.881 62.300 0.002 0.000 0.861 491 V CB 1.223 33.029 31.823 -0.029 0.000 0.985 491 V HN 0.955 nan 8.190 nan 0.000 0.436 492 G N 6.170 115.084 108.800 0.191 0.000 2.483 492 G HA2 0.489 4.449 3.960 0.001 0.000 0.248 492 G HA3 0.489 4.449 3.960 0.001 0.000 0.248 492 G C -2.407 172.444 174.900 -0.082 0.000 1.248 492 G CA -0.824 44.351 45.100 0.125 0.000 0.838 492 G HN 0.538 nan 8.290 nan 0.000 0.566 493 P HA 0.245 nan 4.420 nan 0.000 0.274 493 P C 0.753 177.690 177.300 -0.605 0.000 1.246 493 P CA 0.827 63.193 63.100 -1.223 0.000 0.795 493 P CB 1.108 31.914 31.700 -1.490 0.000 1.006 494 G N 1.355 109.829 108.800 -0.544 0.000 2.143 494 G HA2 -0.320 3.640 3.960 0.001 0.000 0.248 494 G HA3 -0.320 3.640 3.960 0.001 0.000 0.248 494 G C 0.537 175.315 174.900 -0.203 0.000 0.991 494 G CA 0.192 45.089 45.100 -0.339 0.000 0.689 494 G HN 0.646 nan 8.290 nan 0.000 0.522 495 R N -2.028 118.380 120.500 -0.154 0.000 3.758 495 R HA -0.290 4.050 4.340 0.001 0.000 0.299 495 R C 1.943 178.208 176.300 -0.058 0.000 1.182 495 R CA 1.875 57.936 56.100 -0.066 0.000 0.809 495 R CB -2.879 27.394 30.300 -0.045 0.000 1.249 495 R HN 1.238 nan 8.270 nan 0.000 0.497 496 T N -3.374 111.137 114.554 -0.073 0.000 2.915 496 T HA 0.049 4.399 4.350 0.001 0.000 0.269 496 T C 1.584 176.269 174.700 -0.025 0.000 1.071 496 T CA 1.298 63.366 62.100 -0.054 0.000 1.132 496 T CB 0.183 69.014 68.868 -0.061 0.000 0.878 496 T HN 0.819 nan 8.240 nan 0.000 0.479 497 G N 0.965 109.760 108.800 -0.008 0.000 2.141 497 G HA2 -0.193 3.767 3.960 0.001 0.000 0.242 497 G HA3 -0.193 3.767 3.960 0.001 0.000 0.242 497 G C -0.020 174.887 174.900 0.011 0.000 0.982 497 G CA 0.024 45.130 45.100 0.010 0.000 0.662 497 G HN 0.718 nan 8.290 nan 0.000 0.527 498 L N 1.576 122.804 121.223 0.008 0.000 2.499 498 L HA 0.617 4.957 4.340 0.001 0.000 0.273 498 L C 0.127 177.008 176.870 0.018 0.000 1.195 498 L CA 1.791 56.636 54.840 0.009 0.000 0.882 498 L CB 0.872 42.940 42.059 0.015 0.000 1.133 498 L HN 0.284 nan 8.230 nan 0.000 0.483 499 T N 4.428 118.985 114.554 0.006 0.000 2.912 499 T HA 0.816 5.166 4.350 0.001 0.000 0.299 499 T C -1.092 173.593 174.700 -0.025 0.000 1.052 499 T CA -0.012 62.101 62.100 0.022 0.000 0.996 499 T CB 1.346 70.268 68.868 0.090 0.000 1.070 499 T HN 1.013 nan 8.240 nan 0.000 0.465 500 A N 3.827 126.629 122.820 -0.030 0.000 2.589 500 A HA 0.774 5.095 4.320 0.001 0.000 0.296 500 A C -1.133 176.327 177.584 -0.206 0.000 1.062 500 A CA -0.890 51.079 52.037 -0.114 0.000 0.686 500 A CB 1.470 20.439 19.000 -0.051 0.000 1.282 500 A HN 0.805 nan 8.150 nan 0.000 0.404 501 R N 1.496 121.764 120.500 -0.387 0.000 2.239 501 R HA 0.421 4.761 4.340 0.001 0.000 0.332 501 R C -1.007 175.060 176.300 -0.389 0.000 0.988 501 R CA -0.322 55.377 56.100 -0.668 0.000 0.859 501 R CB 1.493 31.112 30.300 -1.136 0.000 1.148 501 R HN 0.583 nan 8.270 nan 0.000 0.482 502 K N 1.570 121.804 120.400 -0.277 0.000 2.274 502 K HA 0.426 4.746 4.320 0.001 0.000 0.262 502 K C -0.593 175.678 176.600 -0.548 0.000 0.961 502 K CA -0.431 55.612 56.287 -0.405 0.000 0.833 502 K CB 2.172 34.454 32.500 -0.363 0.000 1.102 502 K HN 0.364 nan 8.250 nan 0.000 0.436 503 S N 1.513 116.777 115.700 -0.726 0.000 2.599 503 S HA 0.547 5.018 4.470 0.001 0.000 0.294 503 S C -1.347 172.622 174.600 -1.051 0.000 1.094 503 S CA -0.922 56.869 58.200 -0.681 0.000 0.931 503 S CB 1.246 64.238 63.200 -0.348 0.000 1.093 503 S HN 0.450 nan 8.310 nan 0.000 0.488 504 W N 1.552 122.477 121.300 -0.625 0.000 2.957 504 W HA 0.485 5.145 4.660 0.000 0.000 0.336 504 W C -1.949 174.105 176.519 -0.774 0.000 1.087 504 W CA -0.708 56.342 57.345 -0.491 0.000 1.235 504 W CB 1.199 30.538 29.460 -0.201 0.000 1.399 504 W HN 0.526 nan 8.180 nan 0.000 0.480 505 F N 2.218 122.338 119.950 0.283 0.000 2.445 505 F HA 0.447 4.974 4.527 0.001 0.000 0.348 505 F C 0.058 176.075 175.800 0.362 0.000 1.125 505 F CA -1.006 57.177 58.000 0.306 0.000 0.983 505 F CB 1.382 40.568 39.000 0.310 0.000 1.198 505 F HN -0.224 nan 8.300 nan 0.000 0.436 506 V N 2.980 123.052 119.914 0.263 0.000 2.378 506 V HA 0.449 4.569 4.120 0.001 0.000 0.288 506 V C 0.002 176.159 176.094 0.106 0.000 1.016 506 V CA -0.691 61.706 62.300 0.162 0.000 0.840 506 V CB 1.262 33.069 31.823 -0.026 0.000 0.994 506 V HN 0.836 nan 8.190 nan 0.000 0.431 507 S N 3.883 119.569 115.700 -0.024 0.000 2.647 507 S HA 0.517 4.987 4.470 0.001 0.000 0.284 507 S C 1.505 176.232 174.600 0.212 0.000 1.134 507 S CA 0.193 58.302 58.200 -0.151 0.000 1.027 507 S CB 1.165 64.020 63.200 -0.575 0.000 1.180 507 S HN 0.897 nan 8.310 nan 0.000 0.521 508 G N -0.558 108.329 108.800 0.146 0.000 2.559 508 G HA2 0.043 4.003 3.960 0.001 0.000 0.216 508 G HA3 0.043 4.003 3.960 0.001 0.000 0.216 508 G C 0.537 175.696 174.900 0.433 0.000 1.126 508 G CA 0.729 45.954 45.100 0.209 0.000 0.778 508 G HN 0.772 nan 8.290 nan 0.000 0.543 509 D N -1.182 119.454 120.400 0.393 0.000 2.409 509 D HA 0.082 4.722 4.640 0.001 0.000 0.301 509 D C 0.845 177.161 176.300 0.027 0.000 1.095 509 D CA 0.343 54.564 54.000 0.369 0.000 0.929 509 D CB 0.639 41.569 40.800 0.217 0.000 1.623 509 D HN 0.262 nan 8.370 nan 0.000 0.506 510 V N 0.217 120.148 119.914 0.027 0.000 2.815 510 V HA 0.732 4.853 4.120 0.001 0.000 0.314 510 V C -0.486 175.616 176.094 0.013 0.000 1.064 510 V CA -0.341 61.890 62.300 -0.114 0.000 0.952 510 V CB 2.017 33.719 31.823 -0.201 0.000 1.020 510 V HN -0.123 nan 8.190 nan 0.000 0.439 511 T N 3.388 117.946 114.554 0.006 0.000 2.770 511 T HA 0.576 4.927 4.350 0.001 0.000 0.283 511 T C -0.389 174.408 174.700 0.162 0.000 0.988 511 T CA -0.256 61.952 62.100 0.180 0.000 0.957 511 T CB 1.251 70.311 68.868 0.321 0.000 0.930 511 T HN 0.710 nan 8.240 nan 0.000 0.443 512 V N 3.470 123.529 119.914 0.241 0.000 2.407 512 V HA 0.314 4.434 4.120 0.001 0.000 0.278 512 V C 0.008 176.154 176.094 0.086 0.000 1.037 512 V CA -0.708 61.675 62.300 0.138 0.000 0.900 512 V CB 0.893 32.820 31.823 0.174 0.000 0.983 512 V HN 1.019 nan 8.190 nan 0.000 0.459 513 C N 7.044 126.242 119.300 -0.170 0.000 2.293 513 C HA 0.648 5.109 4.460 0.001 0.000 0.323 513 C C -0.007 174.862 174.990 -0.201 0.000 1.240 513 C CA -0.921 57.885 59.018 -0.354 0.000 1.497 513 C CB -0.342 26.929 27.740 -0.783 0.000 2.171 513 C HN 0.707 nan 8.230 nan 0.000 0.465 514 L N 3.015 124.099 121.223 -0.232 0.000 2.334 514 L HA 0.865 5.205 4.340 0.001 0.000 0.276 514 L C 0.488 176.875 176.870 -0.806 0.000 1.014 514 L CA -0.093 54.547 54.840 -0.332 0.000 0.815 514 L CB 1.769 43.796 42.059 -0.054 0.000 1.268 514 L HN 0.826 nan 8.230 nan 0.000 0.428 515 G N 1.214 109.184 108.800 -1.384 0.000 2.638 515 G HA2 0.804 4.765 3.960 0.001 0.000 0.302 515 G HA3 0.804 4.765 3.960 0.001 0.000 0.302 515 G C -1.557 172.942 174.900 -0.668 0.000 1.365 515 G CA -0.288 43.986 45.100 -1.376 0.000 0.987 515 G HN 0.806 nan 8.290 nan 0.000 0.495 516 A N 1.330 123.894 122.820 -0.426 0.000 2.593 516 A HA 0.765 5.086 4.320 0.001 0.000 0.290 516 A C -0.017 177.400 177.584 -0.279 0.000 1.126 516 A CA 0.142 52.008 52.037 -0.285 0.000 0.695 516 A CB 1.278 20.155 19.000 -0.204 0.000 1.290 516 A HN 1.388 nan 8.150 nan 0.000 0.414 517 D N -0.834 119.439 120.400 -0.211 0.000 2.772 517 D HA -0.142 4.499 4.640 0.001 0.000 0.233 517 D C -0.478 175.711 176.300 -0.185 0.000 1.143 517 D CA 1.142 55.024 54.000 -0.196 0.000 0.700 517 D CB -1.420 39.226 40.800 -0.257 0.000 1.076 517 D HN 0.531 nan 8.370 nan 0.000 0.430 518 I N 0.602 121.060 120.570 -0.187 0.000 2.371 518 I HA 0.309 4.479 4.170 0.001 0.000 0.290 518 I C 0.900 176.941 176.117 -0.127 0.000 1.028 518 I CA 0.037 61.223 61.300 -0.189 0.000 1.345 518 I CB 1.211 39.008 38.000 -0.339 0.000 1.407 518 I HN 0.236 nan 8.210 nan 0.000 0.501 519 S N 3.471 119.120 115.700 -0.086 0.000 2.643 519 S HA 0.726 5.196 4.470 0.001 0.000 0.270 519 S C -0.709 173.873 174.600 -0.030 0.000 1.166 519 S CA -0.724 57.447 58.200 -0.049 0.000 0.815 519 S CB 2.442 65.618 63.200 -0.039 0.000 1.139 519 S HN 0.586 nan 8.310 nan 0.000 0.472 520 T N -1.189 113.354 114.554 -0.018 0.000 2.792 520 T HA 0.714 5.064 4.350 0.001 0.000 0.303 520 T C 0.037 174.731 174.700 -0.011 0.000 1.310 520 T CA 0.110 62.203 62.100 -0.012 0.000 1.007 520 T CB 1.243 70.103 68.868 -0.013 0.000 1.335 520 T HN 1.522 nan 8.240 nan 0.000 0.504 521 A N 0.613 123.427 122.820 -0.011 0.000 2.390 521 A HA 0.314 4.634 4.320 0.001 0.000 0.232 521 A C 1.979 179.553 177.584 -0.016 0.000 1.233 521 A CA 0.993 53.023 52.037 -0.011 0.000 0.907 521 A CB -0.358 18.638 19.000 -0.007 0.000 0.967 521 A HN 0.975 nan 8.150 nan 0.000 0.512 522 S N -1.518 114.169 115.700 -0.022 0.000 2.496 522 S HA 0.314 4.784 4.470 0.001 0.000 0.224 522 S C 1.606 176.190 174.600 -0.027 0.000 0.996 522 S CA 1.181 59.364 58.200 -0.029 0.000 0.927 522 S CB -0.322 62.856 63.200 -0.037 0.000 0.774 522 S HN 1.787 nan 8.310 nan 0.000 0.524 523 G N 0.817 109.605 108.800 -0.021 0.000 2.184 523 G HA2 -0.131 3.829 3.960 0.001 0.000 0.264 523 G HA3 -0.131 3.829 3.960 0.001 0.000 0.264 523 G C 0.243 175.129 174.900 -0.023 0.000 0.975 523 G CA 0.191 45.279 45.100 -0.020 0.000 0.642 523 G HN 1.279 nan 8.290 nan 0.000 0.536 524 A N -0.312 122.491 122.820 -0.028 0.000 2.269 524 A HA 0.771 5.091 4.320 0.001 0.000 0.319 524 A C 0.570 178.138 177.584 -0.026 0.000 1.110 524 A CA -0.211 51.805 52.037 -0.034 0.000 0.847 524 A CB 0.649 19.622 19.000 -0.045 0.000 1.161 524 A HN 0.385 nan 8.150 nan 0.000 0.497 525 K N -0.072 120.308 120.400 -0.033 0.000 2.414 525 K HA 0.378 4.699 4.320 0.001 0.000 0.272 525 K C -0.856 175.733 176.600 -0.017 0.000 0.993 525 K CA -0.013 56.261 56.287 -0.023 0.000 0.964 525 K CB 0.606 33.078 32.500 -0.047 0.000 0.925 525 K HN 0.341 nan 8.250 nan 0.000 0.487 526 V N 2.439 122.372 119.914 0.032 0.000 2.555 526 V HA 0.252 4.372 4.120 0.001 0.000 0.302 526 V C -0.315 175.858 176.094 0.132 0.000 1.038 526 V CA -0.766 61.576 62.300 0.071 0.000 0.887 526 V CB 1.657 33.538 31.823 0.097 0.000 0.991 526 V HN 0.744 nan 8.190 nan 0.000 0.434 527 E N 1.362 121.603 120.200 0.067 0.000 2.299 527 E HA 0.683 5.033 4.350 0.001 0.000 0.265 527 E C -1.132 175.509 176.600 0.068 0.000 0.911 527 E CA -0.749 55.655 56.400 0.007 0.000 0.789 527 E CB 2.416 32.025 29.700 -0.152 0.000 1.246 527 E HN 0.625 nan 8.360 nan 0.000 0.427 528 T N 1.767 116.314 114.554 -0.012 0.000 2.848 528 T HA 0.367 4.718 4.350 0.001 0.000 0.285 528 T C -0.546 174.062 174.700 -0.153 0.000 0.995 528 T CA -0.681 61.380 62.100 -0.066 0.000 0.970 528 T CB 0.564 69.343 68.868 -0.148 0.000 0.976 528 T HN 0.228 nan 8.240 nan 0.000 0.441 529 I N 4.592 125.081 120.570 -0.135 0.000 2.291 529 I HA 0.190 4.360 4.170 0.001 0.000 0.290 529 I C 1.510 177.526 176.117 -0.169 0.000 1.050 529 I CA -0.225 61.000 61.300 -0.124 0.000 1.245 529 I CB 0.553 38.490 38.000 -0.104 0.000 1.405 529 I HN 0.447 nan 8.210 nan 0.000 0.478 530 V N 4.751 124.451 119.914 -0.356 0.000 2.307 530 V HA -0.124 3.996 4.120 0.001 0.000 0.245 530 V C 0.751 176.746 176.094 -0.165 0.000 1.045 530 V CA 1.813 63.776 62.300 -0.562 0.000 1.024 530 V CB -0.338 31.003 31.823 -0.804 0.000 0.651 530 V HN 0.803 nan 8.190 nan 0.000 0.449 531 D N -3.091 117.197 120.400 -0.187 0.000 2.622 531 D HA 0.338 4.978 4.640 0.001 0.000 0.255 531 D C -1.532 174.776 176.300 0.012 0.000 1.246 531 D CA -0.530 53.442 54.000 -0.047 0.000 0.795 531 D CB 1.717 42.454 40.800 -0.104 0.000 1.369 531 D HN 0.207 nan 8.370 nan 0.000 0.425 532 H N 0.964 120.013 119.070 -0.035 0.000 3.177 532 H HA 0.524 5.081 4.556 0.000 0.000 0.314 532 H C -1.452 173.965 175.328 0.148 0.000 1.059 532 H CA -0.490 55.559 56.048 0.003 0.000 1.515 532 H CB 0.643 30.349 29.762 -0.093 0.000 1.672 532 H HN 0.250 nan 8.280 nan 0.000 0.514 533 R N 3.923 124.382 120.500 -0.069 0.000 2.513 533 R HA 0.343 4.683 4.340 0.001 0.000 0.301 533 R C -0.994 175.044 176.300 -0.436 0.000 0.968 533 R CA -0.911 55.062 56.100 -0.211 0.000 0.872 533 R CB 0.725 30.845 30.300 -0.300 0.000 1.177 533 R HN 0.565 nan 8.270 nan 0.000 0.444 534 N N 4.733 123.029 118.700 -0.673 0.000 2.452 534 N HA 0.033 4.773 4.740 0.001 0.000 0.266 534 N C 0.115 175.050 175.510 -0.957 0.000 1.175 534 N CA 0.126 52.442 53.050 -1.224 0.000 0.945 534 N CB 0.711 38.639 38.487 -0.932 0.000 1.063 534 N HN 0.722 nan 8.380 nan 0.000 0.472 535 L N 3.744 124.479 121.223 -0.815 0.000 2.607 535 L HA 0.116 4.456 4.340 0.001 0.000 0.228 535 L C 0.671 177.330 176.870 -0.352 0.000 1.123 535 L CA -0.322 54.246 54.840 -0.454 0.000 0.890 535 L CB -0.580 41.327 42.059 -0.254 0.000 1.103 535 L HN 0.649 nan 8.230 nan 0.000 0.468 536 H N -0.331 118.560 119.070 -0.298 0.000 1.452 536 H HA -0.262 4.295 4.556 0.000 0.000 0.090 536 H C 0.579 175.829 175.328 -0.130 0.000 0.625 536 H CA 1.399 57.339 56.048 -0.181 0.000 1.901 536 H CB -1.000 28.695 29.762 -0.111 0.000 2.257 536 H HN 0.210 nan 8.280 nan 0.000 0.961 537 Q N 2.493 122.333 119.800 0.066 0.000 2.188 537 Q HA 0.323 4.663 4.340 0.001 0.000 0.212 537 Q C 1.009 177.013 176.000 0.006 0.000 0.846 537 Q CA 0.686 56.497 55.803 0.015 0.000 0.989 537 Q CB 0.787 29.541 28.738 0.026 0.000 1.114 537 Q HN 0.522 nan 8.270 nan 0.000 0.488 538 G N 0.954 109.758 108.800 0.006 0.000 2.572 538 G HA2 0.259 4.219 3.960 0.001 0.000 0.261 538 G HA3 0.259 4.219 3.960 0.001 0.000 0.261 538 G C 0.257 175.149 174.900 -0.012 0.000 1.197 538 G CA -0.283 44.819 45.100 0.004 0.000 0.870 538 G HN 0.204 nan 8.290 nan 0.000 0.548 539 S N -0.312 115.388 115.700 0.000 0.000 2.581 539 S HA 0.148 4.618 4.470 0.001 0.000 0.245 539 S C 0.005 174.611 174.600 0.011 0.000 1.115 539 S CA -0.871 57.330 58.200 0.001 0.000 1.093 539 S CB -0.333 62.870 63.200 0.006 0.000 0.853 539 S HN 0.465 nan 8.310 nan 0.000 0.479 540 N N 2.749 121.455 118.700 0.010 0.000 2.359 540 N HA 0.064 4.805 4.740 0.001 0.000 0.261 540 N C -0.126 175.410 175.510 0.043 0.000 1.267 540 N CA 0.672 53.740 53.050 0.031 0.000 0.864 540 N CB 0.235 38.737 38.487 0.024 0.000 1.063 540 N HN 0.270 nan 8.380 nan 0.000 0.474 541 T N 2.632 117.227 114.554 0.067 0.000 2.901 541 T HA 0.182 4.532 4.350 0.001 0.000 0.301 541 T C 0.515 175.279 174.700 0.107 0.000 1.012 541 T CA -0.214 61.932 62.100 0.076 0.000 1.135 541 T CB 0.191 69.111 68.868 0.087 0.000 0.936 541 T HN 0.215 nan 8.240 nan 0.000 0.539 542 L N 3.967 125.238 121.223 0.080 0.000 2.270 542 L HA 0.289 4.629 4.340 0.001 0.000 0.286 542 L C 0.686 177.610 176.870 0.090 0.000 1.059 542 L CA -0.459 54.439 54.840 0.096 0.000 0.839 542 L CB 0.614 42.695 42.059 0.037 0.000 1.221 542 L HN 0.624 nan 8.230 nan 0.000 0.431 543 T N 1.334 115.993 114.554 0.175 0.000 2.882 543 T HA 0.541 4.892 4.350 0.001 0.000 0.287 543 T C 0.356 175.051 174.700 -0.008 0.000 0.992 543 T CA -0.476 61.705 62.100 0.134 0.000 1.076 543 T CB 1.368 70.386 68.868 0.250 0.000 0.961 543 T HN 0.677 nan 8.240 nan 0.000 0.490 544 T N -1.147 113.249 114.554 -0.263 0.000 2.864 544 T HA 0.689 5.039 4.350 0.001 0.000 0.289 544 T C 1.589 175.774 174.700 -0.859 0.000 1.082 544 T CA -0.366 61.252 62.100 -0.803 0.000 1.009 544 T CB 1.178 69.741 68.868 -0.507 0.000 1.234 544 T HN 0.398 nan 8.240 nan 0.000 0.526 545 A N 0.481 122.616 122.820 -1.142 0.000 1.948 545 A HA 0.124 4.444 4.320 0.001 0.000 0.220 545 A C 2.440 179.940 177.584 -0.139 0.000 1.177 545 A CA 2.360 54.190 52.037 -0.345 0.000 0.636 545 A CB -1.492 17.376 19.000 -0.220 0.000 0.815 545 A HN 1.339 nan 8.150 nan 0.000 0.449 546 A N -2.704 119.998 122.820 -0.196 0.000 1.984 546 A HA 0.468 4.788 4.320 0.001 0.000 0.214 546 A C 1.657 179.196 177.584 -0.075 0.000 1.173 546 A CA 1.807 53.780 52.037 -0.106 0.000 0.673 546 A CB -0.306 18.626 19.000 -0.114 0.000 0.830 546 A HN 1.495 nan 8.150 nan 0.000 0.453 547 G N -1.839 106.904 108.800 -0.094 0.000 2.229 547 G HA2 0.360 4.320 3.960 0.001 0.000 0.089 547 G HA3 0.360 4.320 3.960 0.001 0.000 0.089 547 G C 0.070 174.939 174.900 -0.051 0.000 0.832 547 G CA 0.752 45.824 45.100 -0.048 0.000 1.234 547 G HN 1.151 nan 8.290 nan 0.000 0.466 548 T N -1.466 113.056 114.554 -0.052 0.000 2.865 548 T HA 0.796 5.146 4.350 0.001 0.000 0.294 548 T C -0.928 173.736 174.700 -0.061 0.000 1.119 548 T CA -0.381 61.695 62.100 -0.041 0.000 1.007 548 T CB 2.420 71.283 68.868 -0.008 0.000 1.225 548 T HN 1.171 nan 8.240 nan 0.000 0.515 549 I N 0.158 120.695 120.570 -0.054 0.000 2.969 549 I HA 0.572 4.743 4.170 0.001 0.000 0.307 549 I C 0.065 176.155 176.117 -0.045 0.000 1.149 549 I CA -0.649 60.611 61.300 -0.067 0.000 1.008 549 I CB 1.837 39.776 38.000 -0.101 0.000 1.232 549 I HN 1.391 nan 8.210 nan 0.000 0.435 550 A N 3.776 126.568 122.820 -0.047 0.000 2.687 550 A HA -0.181 4.140 4.320 0.001 0.000 0.299 550 A C 1.132 178.704 177.584 -0.020 0.000 1.497 550 A CA 1.013 53.030 52.037 -0.034 0.000 0.751 550 A CB -2.376 16.603 19.000 -0.036 0.000 1.048 550 A HN 1.314 nan 8.150 nan 0.000 0.464 551 G N -1.206 107.582 108.800 -0.019 0.000 2.572 551 G HA2 0.309 4.269 3.960 0.001 0.000 0.216 551 G HA3 0.309 4.269 3.960 0.001 0.000 0.216 551 G C 0.626 175.521 174.900 -0.009 0.000 1.133 551 G CA 1.245 46.339 45.100 -0.011 0.000 0.791 551 G HN 0.839 nan 8.290 nan 0.000 0.538 552 T N 1.429 115.976 114.554 -0.011 0.000 2.758 552 T HA 0.609 4.959 4.350 0.001 0.000 0.285 552 T C 0.305 175.001 174.700 -0.007 0.000 0.981 552 T CA -0.304 61.791 62.100 -0.008 0.000 0.965 552 T CB 1.611 70.473 68.868 -0.010 0.000 0.927 552 T HN 0.327 nan 8.240 nan 0.000 0.448 553 A N 2.289 125.107 122.820 -0.004 0.000 2.546 553 A HA 0.511 4.832 4.320 0.001 0.000 0.243 553 A C 1.589 179.172 177.584 -0.003 0.000 1.063 553 A CA 0.510 52.547 52.037 -0.001 0.000 0.757 553 A CB -0.757 18.243 19.000 0.000 0.000 0.991 553 A HN 1.594 nan 8.150 nan 0.000 0.503 554 G N 1.855 110.654 108.800 -0.001 0.000 2.195 554 G HA2 -0.190 3.771 3.960 0.001 0.000 0.246 554 G HA3 -0.190 3.771 3.960 0.001 0.000 0.246 554 G C 0.367 175.264 174.900 -0.004 0.000 0.984 554 G CA 0.491 45.588 45.100 -0.006 0.000 0.633 554 G HN 1.286 nan 8.290 nan 0.000 0.525 555 T N 1.271 115.824 114.554 -0.003 0.000 2.874 555 T HA 0.529 4.879 4.350 0.001 0.000 0.321 555 T C 0.187 174.888 174.700 0.002 0.000 1.075 555 T CA 0.144 62.243 62.100 -0.003 0.000 0.966 555 T CB 1.966 70.829 68.868 -0.009 0.000 1.001 555 T HN 0.782 nan 8.240 nan 0.000 0.476 556 V N 4.281 124.206 119.914 0.017 0.000 2.740 556 V HA 0.322 4.443 4.120 0.001 0.000 0.303 556 V C -0.002 176.092 176.094 0.000 0.000 1.054 556 V CA 0.397 62.715 62.300 0.030 0.000 1.106 556 V CB 0.780 32.658 31.823 0.093 0.000 0.957 556 V HN 0.849 nan 8.190 nan 0.000 0.486 557 E N 3.717 123.894 120.200 -0.039 0.000 2.336 557 E HA 0.581 4.931 4.350 0.001 0.000 0.267 557 E C -1.534 174.972 176.600 -0.157 0.000 0.906 557 E CA -0.848 55.504 56.400 -0.080 0.000 0.781 557 E CB 2.525 32.176 29.700 -0.081 0.000 1.261 557 E HN 0.524 nan 8.360 nan 0.000 0.436 558 V N 2.499 122.295 119.914 -0.196 0.000 2.435 558 V HA 0.182 4.303 4.120 0.001 0.000 0.290 558 V C -0.264 175.682 176.094 -0.247 0.000 1.030 558 V CA -0.774 61.336 62.300 -0.316 0.000 0.881 558 V CB 1.333 32.945 31.823 -0.351 0.000 0.983 558 V HN 0.517 nan 8.190 nan 0.000 0.445 559 L N 5.043 126.106 121.223 -0.267 0.000 2.490 559 L HA 0.460 4.800 4.340 0.001 0.000 0.274 559 L C 1.129 177.884 176.870 -0.191 0.000 1.201 559 L CA 0.939 55.647 54.840 -0.219 0.000 0.869 559 L CB 0.530 42.460 42.059 -0.214 0.000 1.123 559 L HN 0.786 nan 8.230 nan 0.000 0.484 560 G N 3.039 111.733 108.800 -0.178 0.000 2.379 560 G HA2 -0.061 3.899 3.960 0.001 0.000 0.287 560 G HA3 -0.061 3.899 3.960 0.001 0.000 0.287 560 G C 0.221 175.039 174.900 -0.136 0.000 1.422 560 G CA 0.304 45.315 45.100 -0.148 0.000 1.081 560 G HN 0.795 nan 8.290 nan 0.000 0.569 561 D N -0.628 119.708 120.400 -0.107 0.000 2.369 561 D HA 0.083 4.723 4.640 0.001 0.000 0.211 561 D C 2.271 178.540 176.300 -0.052 0.000 1.077 561 D CA 0.639 54.598 54.000 -0.069 0.000 0.842 561 D CB 0.025 40.799 40.800 -0.043 0.000 0.947 561 D HN 0.397 nan 8.370 nan 0.000 0.509 562 G N 1.210 109.946 108.800 -0.107 0.000 2.470 562 G HA2 -0.270 3.690 3.960 0.001 0.000 0.220 562 G HA3 -0.270 3.690 3.960 0.001 0.000 0.220 562 G C 0.985 175.889 174.900 0.007 0.000 1.121 562 G CA 0.286 45.335 45.100 -0.084 0.000 0.766 562 G HN 0.255 nan 8.290 nan 0.000 0.553 563 R N -1.984 118.484 120.500 -0.054 0.000 3.977 563 R HA -0.129 4.211 4.340 0.001 0.000 0.428 563 R C 0.264 176.657 176.300 0.156 0.000 1.079 563 R CA 1.411 57.539 56.100 0.048 0.000 1.269 563 R CB -2.286 28.081 30.300 0.112 0.000 1.856 563 R HN 0.743 nan 8.270 nan 0.000 0.551 564 W N -0.491 120.838 121.300 0.048 0.000 2.864 564 W HA 0.752 5.412 4.660 -0.000 0.000 0.343 564 W C -1.219 175.352 176.519 0.087 0.000 1.109 564 W CA -1.194 56.199 57.345 0.080 0.000 1.192 564 W CB 1.046 30.555 29.460 0.081 0.000 1.426 564 W HN -0.142 nan 8.180 nan 0.000 0.529 565 V N 3.006 123.170 119.914 0.417 0.000 2.760 565 V HA 0.410 4.531 4.120 0.001 0.000 0.309 565 V C -1.228 175.209 176.094 0.571 0.000 1.077 565 V CA -0.491 61.997 62.300 0.314 0.000 0.910 565 V CB 1.980 33.871 31.823 0.114 0.000 1.008 565 V HN 0.809 nan 8.190 nan 0.000 0.424 566 H N 6.464 125.793 119.070 0.432 0.000 2.466 566 H HA 0.534 5.090 4.556 0.001 0.000 0.338 566 H C -1.562 173.926 175.328 0.266 0.000 1.091 566 H CA -0.649 55.598 56.048 0.332 0.000 1.207 566 H CB 2.007 31.948 29.762 0.298 0.000 1.466 566 H HN 0.639 nan 8.280 nan 0.000 0.493 567 L N 5.177 126.326 121.223 -0.124 0.000 2.265 567 L HA 0.256 4.597 4.340 0.001 0.000 0.289 567 L C 0.280 177.048 176.870 -0.170 0.000 1.033 567 L CA -0.341 54.507 54.840 0.015 0.000 0.814 567 L CB 0.991 43.182 42.059 0.220 0.000 1.203 567 L HN 0.717 nan 8.230 nan 0.000 0.423 568 E N 4.262 124.509 120.200 0.077 0.000 2.465 568 E HA 0.288 4.638 4.350 0.001 0.000 0.260 568 E C 1.015 177.662 176.600 0.079 0.000 0.980 568 E CA 1.044 57.532 56.400 0.147 0.000 0.927 568 E CB 0.258 30.048 29.700 0.150 0.000 0.934 568 E HN 0.999 nan 8.360 nan 0.000 0.459 569 G N 3.532 112.383 108.800 0.084 0.000 2.199 569 G HA2 -0.331 3.629 3.960 0.001 0.000 0.254 569 G HA3 -0.331 3.629 3.960 0.001 0.000 0.254 569 G C 0.214 175.175 174.900 0.102 0.000 0.982 569 G CA 0.356 45.504 45.100 0.080 0.000 0.632 569 G HN 0.607 nan 8.290 nan 0.000 0.529 570 F N 0.640 120.511 119.950 -0.133 0.000 2.423 570 F HA 0.536 5.064 4.527 0.001 0.000 0.269 570 F C 1.430 177.074 175.800 -0.261 0.000 0.880 570 F CA 2.399 60.294 58.000 -0.175 0.000 1.134 570 F CB 0.629 39.522 39.000 -0.179 0.000 1.143 570 F HN 1.079 nan 8.300 nan 0.000 0.802 571 G N -0.256 108.139 108.800 -0.674 0.000 2.291 571 G HA2 0.351 4.312 3.960 0.001 0.000 0.249 571 G HA3 0.351 4.312 3.960 0.001 0.000 0.249 571 G C -0.876 173.639 174.900 -0.641 0.000 1.340 571 G CA -0.342 44.305 45.100 -0.755 0.000 1.017 571 G HN 0.751 nan 8.290 nan 0.000 0.470 572 G N -1.331 107.146 108.800 -0.539 0.000 2.453 572 G HA2 0.764 4.725 3.960 0.001 0.000 0.323 572 G HA3 0.764 4.725 3.960 0.001 0.000 0.323 572 G C -1.650 172.984 174.900 -0.442 0.000 1.198 572 G CA -0.637 44.298 45.100 -0.275 0.000 0.959 572 G HN 0.733 nan 8.290 nan 0.000 0.482 573 Y N -0.497 119.882 120.300 0.132 0.000 2.512 573 Y HA 0.713 5.263 4.550 0.000 0.000 0.348 573 Y C 0.289 176.298 175.900 0.182 0.000 0.990 573 Y CA -0.808 57.372 58.100 0.134 0.000 1.033 573 Y CB 2.805 41.325 38.460 0.100 0.000 1.259 573 Y HN 0.821 nan 8.280 nan 0.000 0.461 574 A N 3.353 126.372 122.820 0.331 0.000 2.488 574 A HA 0.761 5.081 4.320 0.001 0.000 0.298 574 A C -1.316 176.427 177.584 0.266 0.000 1.044 574 A CA -0.922 51.287 52.037 0.288 0.000 0.693 574 A CB 1.231 20.370 19.000 0.231 0.000 1.272 574 A HN 0.593 nan 8.150 nan 0.000 0.402 575 M N 2.566 122.296 119.600 0.217 0.000 2.185 575 M HA 0.292 4.772 4.480 0.001 0.000 0.357 575 M C 0.228 176.629 176.300 0.169 0.000 1.260 575 M CA -0.045 55.372 55.300 0.195 0.000 1.124 575 M CB 0.501 33.171 32.600 0.117 0.000 1.600 575 M HN 0.676 nan 8.290 nan 0.000 0.467 576 L N 2.030 123.356 121.223 0.172 0.000 2.769 576 L HA 0.106 4.447 4.340 0.001 0.000 0.240 576 L C 0.073 177.002 176.870 0.097 0.000 1.163 576 L CA -0.049 54.865 54.840 0.124 0.000 0.962 576 L CB -0.144 41.979 42.059 0.108 0.000 1.258 576 L HN 0.710 nan 8.230 nan 0.000 0.513 577 D N -3.092 117.371 120.400 0.104 0.000 2.744 577 D HA 0.087 4.727 4.640 0.001 0.000 0.304 577 D C -0.190 176.148 176.300 0.063 0.000 1.179 577 D CA -0.535 53.511 54.000 0.076 0.000 1.024 577 D CB 0.449 41.297 40.800 0.081 0.000 1.453 577 D HN -0.082 nan 8.370 nan 0.000 0.529 578 D N -0.981 119.445 120.400 0.044 0.000 2.395 578 D HA 0.110 4.750 4.640 0.001 0.000 0.226 578 D C -0.394 175.913 176.300 0.011 0.000 1.146 578 D CA -0.315 53.700 54.000 0.024 0.000 0.830 578 D CB -0.378 40.431 40.800 0.015 0.000 0.958 578 D HN 0.154 nan 8.370 nan 0.000 0.501 579 S N 1.621 117.338 115.700 0.027 0.000 2.564 579 S HA 0.307 4.778 4.470 0.001 0.000 0.278 579 S C -2.276 172.295 174.600 -0.049 0.000 1.333 579 S CA -0.801 57.406 58.200 0.010 0.000 1.048 579 S CB 0.808 64.037 63.200 0.048 0.000 0.900 579 S HN 0.170 nan 8.310 nan 0.000 0.505 580 P HA 0.206 nan 4.420 nan 0.000 0.271 580 P C -0.988 176.141 177.300 -0.285 0.000 1.216 580 P CA -0.471 62.497 63.100 -0.219 0.000 0.771 580 P CB 0.354 31.890 31.700 -0.275 0.000 0.864 581 L N 5.060 126.081 121.223 -0.336 0.000 2.265 581 L HA 0.296 4.637 4.340 0.001 0.000 0.289 581 L C -0.362 176.192 176.870 -0.526 0.000 1.033 581 L CA -0.236 54.394 54.840 -0.350 0.000 0.814 581 L CB -0.098 41.814 42.059 -0.246 0.000 1.203 581 L HN 0.408 nan 8.230 nan 0.000 0.423 582 H N 4.779 123.501 119.070 -0.580 0.000 2.580 582 H HA 0.479 5.036 4.556 0.001 0.000 0.322 582 H C -0.872 174.095 175.328 -0.602 0.000 1.082 582 H CA -0.556 55.069 56.048 -0.705 0.000 1.383 582 H CB 1.612 30.615 29.762 -1.265 0.000 1.450 582 H HN 0.374 nan 8.280 nan 0.000 0.505 583 V N 5.244 125.007 119.914 -0.251 0.000 2.531 583 V HA 0.175 4.295 4.120 0.001 0.000 0.301 583 V C -0.468 175.594 176.094 -0.054 0.000 1.034 583 V CA -0.757 61.449 62.300 -0.156 0.000 0.865 583 V CB 2.034 33.763 31.823 -0.157 0.000 0.995 583 V HN 0.426 nan 8.190 nan 0.000 0.424 584 L N 5.136 126.365 121.223 0.010 0.000 2.376 584 L HA 0.645 4.985 4.340 0.001 0.000 0.275 584 L C -0.315 176.571 176.870 0.027 0.000 0.987 584 L CA -0.376 54.490 54.840 0.044 0.000 0.828 584 L CB 1.629 43.753 42.059 0.109 0.000 1.249 584 L HN 0.719 nan 8.230 nan 0.000 0.409 585 R N 4.291 124.799 120.500 0.013 0.000 2.254 585 R HA 0.545 4.885 4.340 0.001 0.000 0.318 585 R C -1.019 175.295 176.300 0.024 0.000 1.031 585 R CA -0.200 55.908 56.100 0.014 0.000 0.905 585 R CB 0.736 31.037 30.300 0.001 0.000 1.050 585 R HN 0.873 nan 8.270 nan 0.000 0.456 586 E N 1.922 122.150 120.200 0.046 0.000 2.408 586 E HA 0.344 4.694 4.350 0.001 0.000 0.275 586 E C -1.432 175.208 176.600 0.066 0.000 0.935 586 E CA -1.065 55.360 56.400 0.041 0.000 0.775 586 E CB 2.013 31.727 29.700 0.023 0.000 1.277 586 E HN 0.278 nan 8.360 nan 0.000 0.455 587 T N 1.612 116.190 114.554 0.040 0.000 2.779 587 T HA 0.461 4.811 4.350 0.001 0.000 0.280 587 T C -0.563 174.159 174.700 0.036 0.000 0.987 587 T CA -0.737 61.393 62.100 0.049 0.000 0.966 587 T CB 0.663 69.543 68.868 0.019 0.000 0.933 587 T HN 0.291 nan 8.240 nan 0.000 0.442 588 R N 1.757 122.299 120.500 0.070 0.000 2.740 588 R HA 0.769 5.109 4.340 0.001 0.000 0.282 588 R C -0.790 175.516 176.300 0.011 0.000 0.969 588 R CA -0.838 55.264 56.100 0.003 0.000 0.918 588 R CB 2.073 32.322 30.300 -0.085 0.000 1.175 588 R HN 0.494 nan 8.270 nan 0.000 0.464 589 S N -0.233 115.453 115.700 -0.024 0.000 2.568 589 S HA 0.895 5.365 4.470 0.001 0.000 0.293 589 S C -0.665 173.907 174.600 -0.046 0.000 1.089 589 S CA -0.762 57.425 58.200 -0.022 0.000 0.945 589 S CB 2.316 65.507 63.200 -0.014 0.000 1.077 589 S HN 0.836 nan 8.310 nan 0.000 0.485 590 G N 0.819 109.588 108.800 -0.052 0.000 2.489 590 G HA2 0.522 4.482 3.960 0.001 0.000 0.291 590 G HA3 0.522 4.482 3.960 0.001 0.000 0.291 590 G C -1.278 173.575 174.900 -0.078 0.000 1.487 590 G CA -0.566 44.492 45.100 -0.069 0.000 0.795 590 G HN 0.882 nan 8.290 nan 0.000 0.513 591 S N -1.122 114.545 115.700 -0.055 0.000 2.621 591 S HA 0.489 4.959 4.470 0.001 0.000 0.302 591 S C 0.398 174.989 174.600 -0.014 0.000 1.093 591 S CA -0.726 57.471 58.200 -0.004 0.000 1.017 591 S CB 1.827 65.063 63.200 0.061 0.000 1.077 591 S HN 0.673 nan 8.310 nan 0.000 0.517 592 W N 1.272 122.622 121.300 0.083 0.000 2.392 592 W HA -0.070 4.591 4.660 0.001 0.000 0.279 592 W C 2.802 179.357 176.519 0.060 0.000 1.225 592 W CA 1.248 58.649 57.345 0.093 0.000 1.233 592 W CB -0.400 29.118 29.460 0.097 0.000 1.122 592 W HN 0.938 nan 8.180 nan 0.000 0.561 593 S N -0.623 115.216 115.700 0.231 0.000 2.442 593 S HA -0.092 4.378 4.470 0.001 0.000 0.236 593 S C 1.992 176.639 174.600 0.078 0.000 1.007 593 S CA 1.209 59.490 58.200 0.135 0.000 0.965 593 S CB -1.025 62.232 63.200 0.095 0.000 0.773 593 S HN 0.262 nan 8.310 nan 0.000 0.504 594 G N 0.992 109.822 108.800 0.049 0.000 2.534 594 G HA2 0.066 4.027 3.960 0.001 0.000 0.217 594 G HA3 0.066 4.027 3.960 0.001 0.000 0.217 594 G C 1.231 176.111 174.900 -0.033 0.000 1.128 594 G CA 0.892 45.988 45.100 -0.007 0.000 0.784 594 G HN 1.039 nan 8.290 nan 0.000 0.542 595 V N -3.942 115.984 119.914 0.020 0.000 3.432 595 V HA 0.410 4.531 4.120 0.001 0.000 0.298 595 V C -0.072 176.064 176.094 0.070 0.000 1.464 595 V CA -0.354 61.943 62.300 -0.004 0.000 1.046 595 V CB 0.230 32.076 31.823 0.038 0.000 0.887 595 V HN 0.153 nan 8.190 nan 0.000 0.441 596 N N 0.104 118.872 118.700 0.113 0.000 2.406 596 N HA 0.309 5.049 4.740 0.001 0.000 0.283 596 N C -0.044 175.512 175.510 0.076 0.000 1.074 596 N CA -0.383 52.727 53.050 0.101 0.000 0.916 596 N CB 2.534 41.118 38.487 0.161 0.000 1.639 596 N HN 0.061 nan 8.380 nan 0.000 0.485 597 I N 3.086 123.680 120.570 0.040 0.000 2.530 597 I HA -0.064 4.107 4.170 0.001 0.000 0.257 597 I C 1.019 177.159 176.117 0.038 0.000 1.179 597 I CA 1.472 62.792 61.300 0.033 0.000 1.440 597 I CB -0.111 37.901 38.000 0.020 0.000 1.087 597 I HN 0.483 nan 8.210 nan 0.000 0.440 598 N N 0.499 119.222 118.700 0.039 0.000 2.280 598 N HA 0.141 4.881 4.740 0.001 0.000 0.192 598 N C 0.899 176.436 175.510 0.045 0.000 1.109 598 N CA 0.544 53.610 53.050 0.026 0.000 0.855 598 N CB 0.082 38.568 38.487 -0.001 0.000 0.974 598 N HN 0.376 nan 8.380 nan 0.000 0.482 599 G N 1.040 109.898 108.800 0.097 0.000 2.527 599 G HA2 0.216 4.176 3.960 0.001 0.000 0.248 599 G HA3 0.216 4.176 3.960 0.001 0.000 0.248 599 G C 0.416 175.404 174.900 0.147 0.000 1.231 599 G CA -0.292 44.907 45.100 0.165 0.000 0.838 599 G HN 0.173 nan 8.290 nan 0.000 0.570 600 S N 0.244 116.041 115.700 0.160 0.000 2.584 600 S HA 0.389 4.860 4.470 0.001 0.000 0.270 600 S C 1.375 176.067 174.600 0.154 0.000 1.346 600 S CA 0.111 58.390 58.200 0.131 0.000 1.018 600 S CB 1.595 64.866 63.200 0.118 0.000 0.899 600 S HN 1.263 nan 8.310 nan 0.000 0.542 601 A N 1.358 124.240 122.820 0.104 0.000 2.178 601 A HA 0.245 4.565 4.320 0.001 0.000 0.211 601 A C 1.108 178.744 177.584 0.087 0.000 1.157 601 A CA 0.025 52.113 52.037 0.085 0.000 0.780 601 A CB -0.963 18.071 19.000 0.057 0.000 0.828 601 A HN 0.831 nan 8.150 nan 0.000 0.476 602 T N 1.020 115.637 114.554 0.105 0.000 2.905 602 T HA 0.246 4.596 4.350 0.001 0.000 0.299 602 T C 0.077 174.836 174.700 0.100 0.000 1.024 602 T CA 0.288 62.448 62.100 0.100 0.000 1.151 602 T CB 0.707 69.647 68.868 0.120 0.000 0.987 602 T HN 0.035 nan 8.240 nan 0.000 0.535 603 V N 5.500 125.454 119.914 0.067 0.000 2.432 603 V HA 0.189 4.309 4.120 0.001 0.000 0.271 603 V C 0.333 176.458 176.094 0.051 0.000 1.046 603 V CA -0.494 61.833 62.300 0.046 0.000 0.945 603 V CB 1.209 33.048 31.823 0.027 0.000 0.992 603 V HN 0.731 nan 8.190 nan 0.000 0.471 604 Q N 3.966 123.789 119.800 0.038 0.000 2.245 604 Q HA 0.462 4.803 4.340 0.001 0.000 0.256 604 Q C -0.561 175.451 176.000 0.020 0.000 0.942 604 Q CA -0.279 55.551 55.803 0.045 0.000 0.896 604 Q CB 2.359 31.130 28.738 0.054 0.000 1.272 604 Q HN 0.775 nan 8.270 nan 0.000 0.442 605 Q N 2.349 122.167 119.800 0.030 0.000 2.321 605 Q HA 0.461 4.802 4.340 0.001 0.000 0.270 605 Q C -1.119 174.892 176.000 0.019 0.000 1.032 605 Q CA -0.603 55.213 55.803 0.023 0.000 0.784 605 Q CB 1.267 30.016 28.738 0.019 0.000 1.264 605 Q HN 0.365 nan 8.270 nan 0.000 0.448 606 R N 2.490 123.004 120.500 0.024 0.000 2.725 606 R HA 0.488 4.828 4.340 0.001 0.000 0.277 606 R C -1.095 175.181 176.300 -0.040 0.000 0.987 606 R CA -0.950 55.118 56.100 -0.053 0.000 0.901 606 R CB 1.525 31.745 30.300 -0.133 0.000 1.207 606 R HN 0.687 nan 8.270 nan 0.000 0.463 607 N N 1.308 119.903 118.700 -0.175 0.000 2.498 607 N HA 0.450 5.190 4.740 0.001 0.000 0.287 607 N C -0.839 174.469 175.510 -0.337 0.000 1.097 607 N CA 0.104 53.078 53.050 -0.125 0.000 0.973 607 N CB 0.685 39.104 38.487 -0.114 0.000 1.153 607 N HN 0.254 nan 8.380 nan 0.000 0.472 608 F N 0.031 119.868 119.950 -0.188 0.000 2.588 608 F HA 0.621 5.149 4.527 0.000 0.000 0.314 608 F C 0.176 175.876 175.800 -0.167 0.000 1.069 608 F CA -1.137 56.709 58.000 -0.256 0.000 0.931 608 F CB 1.520 40.304 39.000 -0.360 0.000 1.260 608 F HN 0.356 nan 8.300 nan 0.000 0.465 609 A N 1.211 124.028 122.820 -0.005 0.000 2.276 609 A HA 0.753 5.073 4.320 0.001 0.000 0.316 609 A C -0.745 176.855 177.584 0.026 0.000 1.229 609 A CA -0.373 51.659 52.037 -0.009 0.000 0.851 609 A CB 0.449 19.412 19.000 -0.062 0.000 1.165 609 A HN 0.676 nan 8.150 nan 0.000 0.513 610 T N 3.271 117.856 114.554 0.051 0.000 2.847 610 T HA 0.545 4.896 4.350 0.001 0.000 0.291 610 T C -0.937 173.791 174.700 0.046 0.000 0.998 610 T CA -0.108 62.053 62.100 0.102 0.000 0.967 610 T CB 0.490 69.451 68.868 0.155 0.000 0.954 610 T HN 0.391 nan 8.240 nan 0.000 0.441 611 L N 4.800 125.991 121.223 -0.055 0.000 2.362 611 L HA 0.734 5.074 4.340 0.001 0.000 0.275 611 L C -0.745 176.067 176.870 -0.097 0.000 0.998 611 L CA -0.840 53.894 54.840 -0.176 0.000 0.820 611 L CB 1.023 42.818 42.059 -0.440 0.000 1.270 611 L HN 0.751 nan 8.230 nan 0.000 0.415 612 Y N 0.654 120.823 120.300 -0.217 0.000 2.609 612 Y HA 0.844 5.395 4.550 0.001 0.000 0.336 612 Y C -1.328 174.478 175.900 -0.158 0.000 1.129 612 Y CA -1.510 56.452 58.100 -0.231 0.000 1.040 612 Y CB 1.171 39.497 38.460 -0.223 0.000 1.310 612 Y HN 0.142 nan 8.280 nan 0.000 0.460 613 V N 2.564 122.414 119.914 -0.107 0.000 2.472 613 V HA 0.354 4.474 4.120 0.001 0.000 0.290 613 V C -0.700 175.297 176.094 -0.162 0.000 1.037 613 V CA -0.691 61.516 62.300 -0.155 0.000 0.908 613 V CB 1.570 33.262 31.823 -0.220 0.000 0.985 613 V HN 0.780 nan 8.190 nan 0.000 0.454 614 N N 2.404 121.023 118.700 -0.135 0.000 2.437 614 N HA 0.267 5.008 4.740 0.001 0.000 0.259 614 N C 0.559 175.948 175.510 -0.203 0.000 0.983 614 N CA -0.320 52.633 53.050 -0.162 0.000 0.937 614 N CB 0.781 39.164 38.487 -0.173 0.000 1.122 614 N HN 0.624 nan 8.380 nan 0.000 0.499 615 H N 2.505 121.600 119.070 0.042 0.000 2.551 615 H HA 0.185 4.741 4.556 0.001 0.000 0.266 615 H C 1.230 176.570 175.328 0.020 0.000 0.977 615 H CA 0.723 56.796 56.048 0.042 0.000 1.163 615 H CB 0.018 29.807 29.762 0.045 0.000 1.381 615 H HN 0.791 nan 8.280 nan 0.000 0.581 616 G N 0.611 109.455 108.800 0.073 0.000 2.750 616 G HA2 -0.276 3.684 3.960 0.001 0.000 0.228 616 G HA3 -0.276 3.684 3.960 0.001 0.000 0.228 616 G C -0.330 174.591 174.900 0.035 0.000 1.367 616 G CA -0.186 44.937 45.100 0.037 0.000 0.871 616 G HN 0.204 nan 8.290 nan 0.000 0.560 617 V N 1.388 121.311 119.914 0.014 0.000 2.649 617 V HA 0.517 4.637 4.120 0.001 0.000 0.292 617 V C 1.783 177.884 176.094 0.012 0.000 1.055 617 V CA 1.529 63.833 62.300 0.006 0.000 1.023 617 V CB 0.718 32.538 31.823 -0.004 0.000 0.992 617 V HN 2.735 nan 8.190 nan 0.000 0.480 618 G N 5.211 114.015 108.800 0.007 0.000 2.366 618 G HA2 -0.164 3.797 3.960 0.001 0.000 0.299 618 G HA3 -0.164 3.797 3.960 0.001 0.000 0.299 618 G C -1.369 173.537 174.900 0.010 0.000 1.020 618 G CA -0.182 44.921 45.100 0.004 0.000 1.026 618 G HN 0.664 nan 8.290 nan 0.000 0.512 619 P HA 0.372 nan 4.420 nan 0.000 0.268 619 P C -0.101 177.197 177.300 -0.003 0.000 1.205 619 P CA -0.047 63.066 63.100 0.022 0.000 0.771 619 P CB 1.586 33.306 31.700 0.034 0.000 0.858 620 V N 2.508 122.421 119.914 -0.003 0.000 2.378 620 V HA 0.433 4.553 4.120 0.001 0.000 0.288 620 V C 0.683 176.763 176.094 -0.023 0.000 1.016 620 V CA -0.188 62.103 62.300 -0.014 0.000 0.840 620 V CB 0.555 32.373 31.823 -0.007 0.000 0.994 620 V HN 0.872 nan 8.190 nan 0.000 0.431 621 A N 3.694 126.487 122.820 -0.045 0.000 2.640 621 A HA -0.118 4.202 4.320 0.001 0.000 0.300 621 A C 1.033 178.580 177.584 -0.062 0.000 1.499 621 A CA 0.679 52.678 52.037 -0.064 0.000 0.759 621 A CB -1.477 17.494 19.000 -0.050 0.000 1.048 621 A HN 1.671 nan 8.150 nan 0.000 0.450 622 G N -0.343 108.412 108.800 -0.075 0.000 2.630 622 G HA2 0.588 4.549 3.960 0.001 0.000 0.236 622 G HA3 0.588 4.549 3.960 0.001 0.000 0.236 622 G C 0.323 175.156 174.900 -0.113 0.000 1.248 622 G CA 0.792 45.855 45.100 -0.061 0.000 0.844 622 G HN 2.267 nan 8.290 nan 0.000 0.588 623 S N -0.589 115.119 115.700 0.013 0.000 2.596 623 S HA 0.779 5.249 4.470 0.001 0.000 0.270 623 S C -1.088 173.656 174.600 0.240 0.000 1.155 623 S CA -0.860 57.330 58.200 -0.016 0.000 0.827 623 S CB 1.832 65.002 63.200 -0.050 0.000 1.130 623 S HN 1.635 nan 8.310 nan 0.000 0.467 624 Y N -1.767 118.627 120.300 0.157 0.000 2.625 624 Y HA 0.924 5.474 4.550 0.000 0.000 0.338 624 Y C -1.090 174.896 175.900 0.143 0.000 1.123 624 Y CA -1.090 57.136 58.100 0.210 0.000 1.046 624 Y CB 1.139 39.796 38.460 0.328 0.000 1.299 624 Y HN 1.327 nan 8.280 nan 0.000 0.464 625 A N 2.273 125.338 122.820 0.409 0.000 2.485 625 A HA 0.687 5.007 4.320 0.001 0.000 0.285 625 A C -2.008 175.794 177.584 0.363 0.000 1.045 625 A CA -0.561 51.632 52.037 0.259 0.000 0.792 625 A CB 0.170 19.231 19.000 0.102 0.000 1.307 625 A HN 1.457 nan 8.150 nan 0.000 0.406 626 Y N -0.289 120.153 120.300 0.237 0.000 2.705 626 Y HA 0.860 5.411 4.550 0.000 0.000 0.332 626 Y C -0.803 175.195 175.900 0.163 0.000 1.221 626 Y CA -1.315 56.892 58.100 0.179 0.000 1.059 626 Y CB 1.186 39.748 38.460 0.170 0.000 1.298 626 Y HN 0.912 nan 8.280 nan 0.000 0.459 627 M N 1.045 120.811 119.600 0.276 0.000 2.593 627 M HA 0.895 5.375 4.480 0.001 0.000 0.290 627 M C -2.167 174.264 176.300 0.219 0.000 1.244 627 M CA -1.114 54.253 55.300 0.111 0.000 0.857 627 M CB 2.655 35.209 32.600 -0.076 0.000 1.738 627 M HN 0.444 nan 8.290 nan 0.000 0.461 628 V N 1.349 121.304 119.914 0.068 0.000 2.540 628 V HA 0.854 4.974 4.120 0.001 0.000 0.302 628 V C -0.471 175.406 176.094 -0.362 0.000 1.035 628 V CA -0.598 61.627 62.300 -0.123 0.000 0.873 628 V CB 1.656 33.359 31.823 -0.200 0.000 0.992 628 V HN 0.997 nan 8.190 nan 0.000 0.428 629 A N 6.042 128.569 122.820 -0.489 0.000 2.842 629 A HA 0.735 5.055 4.320 0.001 0.000 0.339 629 A C -2.704 174.458 177.584 -0.704 0.000 1.177 629 A CA -1.528 50.213 52.037 -0.494 0.000 0.797 629 A CB 0.472 19.293 19.000 -0.299 0.000 1.094 629 A HN 0.570 nan 8.150 nan 0.000 0.474 630 P HA 0.246 nan 4.420 nan 0.000 0.267 630 P C 1.107 178.042 177.300 -0.607 0.000 1.205 630 P CA 1.795 64.248 63.100 -1.078 0.000 0.765 630 P CB 0.973 32.170 31.700 -0.837 0.000 0.828 631 G N 1.835 110.296 108.800 -0.565 0.000 2.179 631 G HA2 -0.216 3.745 3.960 0.001 0.000 0.260 631 G HA3 -0.216 3.745 3.960 0.001 0.000 0.260 631 G C 0.418 175.228 174.900 -0.149 0.000 0.977 631 G CA 0.103 45.067 45.100 -0.227 0.000 0.641 631 G HN 0.883 nan 8.290 nan 0.000 0.533 632 A N 0.613 123.307 122.820 -0.210 0.000 2.477 632 A HA 0.672 4.993 4.320 0.001 0.000 0.246 632 A C 1.139 178.743 177.584 0.033 0.000 1.078 632 A CA 1.020 53.001 52.037 -0.095 0.000 0.770 632 A CB 0.272 19.195 19.000 -0.127 0.000 1.011 632 A HN 2.017 nan 8.150 nan 0.000 0.494 633 S N 1.812 117.510 115.700 -0.003 0.000 2.596 633 S HA 0.199 4.670 4.470 0.001 0.000 0.260 633 S C 1.186 175.651 174.600 -0.224 0.000 1.336 633 S CA -0.066 58.100 58.200 -0.057 0.000 0.993 633 S CB 0.626 63.774 63.200 -0.086 0.000 0.923 633 S HN 0.754 nan 8.310 nan 0.000 0.567 634 V N 1.267 120.861 119.914 -0.533 0.000 2.332 634 V HA -0.166 3.954 4.120 0.001 0.000 0.248 634 V C 2.234 178.098 176.094 -0.384 0.000 1.055 634 V CA 2.342 64.323 62.300 -0.532 0.000 1.038 634 V CB -1.054 30.522 31.823 -0.412 0.000 0.651 634 V HN 0.834 nan 8.190 nan 0.000 0.450 635 D N -0.383 119.860 120.400 -0.262 0.000 2.117 635 D HA -0.133 4.508 4.640 0.001 0.000 0.197 635 D C 1.921 178.078 176.300 -0.240 0.000 0.987 635 D CA 1.028 54.895 54.000 -0.223 0.000 0.829 635 D CB -0.252 40.469 40.800 -0.133 0.000 0.961 635 D HN 0.316 nan 8.370 nan 0.000 0.460 636 L N 0.605 121.716 121.223 -0.187 0.000 2.093 636 L HA -0.089 4.251 4.340 0.001 0.000 0.208 636 L C 2.195 178.945 176.870 -0.201 0.000 1.085 636 L CA 1.506 56.259 54.840 -0.144 0.000 0.755 636 L CB -0.669 41.341 42.059 -0.082 0.000 0.904 636 L HN -0.040 nan 8.230 nan 0.000 0.435 637 T N -0.869 113.522 114.554 -0.272 0.000 2.737 637 T HA -0.224 4.126 4.350 0.001 0.000 0.265 637 T C 1.981 176.255 174.700 -0.710 0.000 1.038 637 T CA 1.495 63.399 62.100 -0.327 0.000 1.144 637 T CB -0.263 68.506 68.868 -0.165 0.000 0.866 637 T HN 0.308 nan 8.240 nan 0.000 0.434 638 R N 1.240 121.032 120.500 -1.181 0.000 2.139 638 R HA -0.099 4.241 4.340 0.001 0.000 0.243 638 R C 1.798 177.745 176.300 -0.589 0.000 1.145 638 R CA 1.448 56.697 56.100 -1.418 0.000 0.976 638 R CB -0.038 29.719 30.300 -0.904 0.000 0.866 638 R HN 0.313 nan 8.270 nan 0.000 0.449 639 K N 0.045 120.236 120.400 -0.347 0.000 2.393 639 K HA 0.072 4.392 4.320 0.001 0.000 0.193 639 K C 1.796 178.366 176.600 -0.050 0.000 1.026 639 K CA 0.080 56.277 56.287 -0.149 0.000 1.064 639 K CB 0.222 32.660 32.500 -0.103 0.000 0.833 639 K HN 0.172 nan 8.250 nan 0.000 0.521 640 L N 0.706 121.905 121.223 -0.040 0.000 2.081 640 L HA -0.197 4.143 4.340 0.001 0.000 0.212 640 L C 1.743 178.740 176.870 0.212 0.000 1.080 640 L CA 1.354 56.278 54.840 0.140 0.000 0.754 640 L CB -0.305 41.807 42.059 0.089 0.000 0.893 640 L HN 0.214 nan 8.230 nan 0.000 0.433 641 L N -1.056 120.240 121.223 0.123 0.000 2.611 641 L HA 0.096 4.436 4.340 0.001 0.000 0.229 641 L C 0.326 177.241 176.870 0.076 0.000 1.137 641 L CA -0.216 54.703 54.840 0.131 0.000 0.901 641 L CB -0.110 42.036 42.059 0.145 0.000 1.098 641 L HN 0.129 nan 8.230 nan 0.000 0.456 642 E N 0.387 120.612 120.200 0.042 0.000 2.242 642 E HA 0.375 4.726 4.350 0.001 0.000 0.275 642 E C 0.901 177.490 176.600 -0.017 0.000 1.002 642 E CA 0.111 56.519 56.400 0.012 0.000 0.841 642 E CB 1.458 31.158 29.700 0.000 0.000 1.109 642 E HN 0.172 nan 8.360 nan 0.000 0.394 643 G N 2.914 111.700 108.800 -0.022 0.000 2.153 643 G HA2 -0.406 3.555 3.960 0.001 0.000 0.252 643 G HA3 -0.406 3.555 3.960 0.001 0.000 0.252 643 G C 0.528 175.385 174.900 -0.072 0.000 0.994 643 G CA 0.547 45.620 45.100 -0.044 0.000 0.698 643 G HN 0.671 nan 8.290 nan 0.000 0.521 644 N N -0.871 117.791 118.700 -0.064 0.000 2.714 644 N HA -0.186 4.554 4.740 0.001 0.000 0.252 644 N C 1.445 176.845 175.510 -0.183 0.000 1.014 644 N CA 1.892 54.889 53.050 -0.087 0.000 0.735 644 N CB -0.834 37.614 38.487 -0.065 0.000 0.924 644 N HN 0.801 nan 8.380 nan 0.000 0.540 645 K N -0.872 119.348 120.400 -0.300 0.000 2.148 645 K HA -0.112 4.209 4.320 0.001 0.000 0.204 645 K C -0.135 175.925 176.600 -0.900 0.000 1.050 645 K CA 1.235 57.138 56.287 -0.642 0.000 0.942 645 K CB 0.029 31.969 32.500 -0.935 0.000 0.724 645 K HN 0.485 nan 8.250 nan 0.000 0.446 646 Y N -0.029 120.221 120.300 -0.083 0.000 2.646 646 Y HA 0.191 4.742 4.550 0.000 0.000 0.334 646 Y C -0.355 175.427 175.900 -0.196 0.000 1.004 646 Y CA -0.794 57.181 58.100 -0.207 0.000 1.301 646 Y CB 1.694 40.068 38.460 -0.143 0.000 1.093 646 Y HN -0.228 nan 8.280 nan 0.000 0.530 647 S N 3.215 118.808 115.700 -0.179 0.000 2.415 647 S HA 0.400 4.871 4.470 0.001 0.000 0.313 647 S C -0.237 174.268 174.600 -0.159 0.000 1.067 647 S CA -0.548 57.569 58.200 -0.137 0.000 1.099 647 S CB -0.176 62.942 63.200 -0.136 0.000 0.991 647 S HN 0.404 nan 8.310 nan 0.000 0.491 648 V N 7.750 127.598 119.914 -0.111 0.000 2.585 648 V HA 0.118 4.239 4.120 0.001 0.000 0.296 648 V C 1.194 177.222 176.094 -0.110 0.000 1.035 648 V CA 0.501 62.727 62.300 -0.123 0.000 1.084 648 V CB 0.621 32.402 31.823 -0.071 0.000 0.953 648 V HN 0.906 nan 8.190 nan 0.000 0.483 649 I N 3.388 123.874 120.570 -0.139 0.000 2.729 649 I HA 0.246 4.416 4.170 0.001 0.000 0.256 649 I C 1.107 177.179 176.117 -0.076 0.000 1.115 649 I CA 0.502 61.742 61.300 -0.099 0.000 1.446 649 I CB 0.277 38.211 38.000 -0.110 0.000 1.176 649 I HN 0.555 nan 8.210 nan 0.000 0.446 650 R N 0.817 121.257 120.500 -0.100 0.000 2.594 650 R HA 0.313 4.653 4.340 0.001 0.000 0.265 650 R C -1.718 174.538 176.300 -0.074 0.000 1.070 650 R CA -0.487 55.571 56.100 -0.071 0.000 0.909 650 R CB 1.466 31.727 30.300 -0.066 0.000 1.243 650 R HN -0.046 nan 8.270 nan 0.000 0.455 651 N N 2.629 121.300 118.700 -0.048 0.000 2.710 651 N HA 0.197 4.937 4.740 0.001 0.000 0.244 651 N C -2.121 173.364 175.510 -0.042 0.000 1.321 651 N CA -0.388 52.635 53.050 -0.045 0.000 0.758 651 N CB 0.812 39.260 38.487 -0.065 0.000 1.284 651 N HN 0.738 nan 8.380 nan 0.000 0.530 652 D N -0.099 120.293 120.400 -0.013 0.000 2.921 652 D HA 0.356 4.996 4.640 0.001 0.000 0.329 652 D C 0.427 176.732 176.300 0.008 0.000 1.293 652 D CA -0.394 53.593 54.000 -0.021 0.000 0.964 652 D CB 0.159 40.954 40.800 -0.009 0.000 1.435 652 D HN 0.061 nan 8.370 nan 0.000 0.548 653 A N -0.790 122.018 122.820 -0.020 0.000 2.172 653 A HA 0.029 4.349 4.320 0.001 0.000 0.216 653 A C 1.694 179.351 177.584 0.122 0.000 1.154 653 A CA 1.977 53.991 52.037 -0.038 0.000 0.701 653 A CB -0.916 18.048 19.000 -0.061 0.000 0.789 653 A HN 0.550 nan 8.150 nan 0.000 0.465 654 T N -0.766 113.885 114.554 0.162 0.000 2.901 654 T HA 0.490 4.840 4.350 0.001 0.000 0.252 654 T C 0.717 175.582 174.700 0.274 0.000 1.035 654 T CA 1.168 63.405 62.100 0.229 0.000 1.142 654 T CB 0.016 68.977 68.868 0.154 0.000 0.869 654 T HN 0.749 nan 8.240 nan 0.000 0.442 655 A N 0.367 123.281 122.820 0.157 0.000 2.608 655 A HA 0.712 5.032 4.320 0.001 0.000 0.292 655 A C -1.923 175.640 177.584 -0.035 0.000 1.066 655 A CA -0.827 51.155 52.037 -0.092 0.000 0.676 655 A CB 1.277 19.962 19.000 -0.523 0.000 1.277 655 A HN 0.222 nan 8.150 nan 0.000 0.413 656 Q N 0.238 119.990 119.800 -0.081 0.000 2.304 656 Q HA 0.705 5.045 4.340 0.001 0.000 0.270 656 Q C -1.005 174.909 176.000 -0.144 0.000 1.035 656 Q CA -0.543 55.270 55.803 0.017 0.000 0.781 656 Q CB 2.295 31.186 28.738 0.255 0.000 1.261 656 Q HN 0.809 nan 8.270 nan 0.000 0.444 657 S N 1.516 117.016 115.700 -0.333 0.000 2.537 657 S HA 0.731 5.202 4.470 0.001 0.000 0.271 657 S C -2.041 172.196 174.600 -0.605 0.000 1.148 657 S CA -0.609 57.232 58.200 -0.599 0.000 0.868 657 S CB 2.023 65.017 63.200 -0.343 0.000 1.115 657 S HN 0.406 nan 8.310 nan 0.000 0.461 658 V N 3.053 122.509 119.914 -0.765 0.000 2.888 658 V HA 0.676 4.797 4.120 0.001 0.000 0.309 658 V C -1.086 174.706 176.094 -0.504 0.000 1.114 658 V CA -0.519 61.433 62.300 -0.581 0.000 0.940 658 V CB 1.938 33.382 31.823 -0.631 0.000 1.021 658 V HN 0.999 nan 8.190 nan 0.000 0.426 659 E N 4.332 124.293 120.200 -0.399 0.000 2.166 659 E HA 0.453 4.804 4.350 0.001 0.000 0.275 659 E C -1.598 174.782 176.600 -0.367 0.000 0.941 659 E CA -0.642 55.577 56.400 -0.302 0.000 0.784 659 E CB 1.226 30.816 29.700 -0.183 0.000 1.115 659 E HN 0.587 nan 8.360 nan 0.000 0.399 660 F N 4.585 124.493 119.950 -0.071 0.000 2.375 660 F HA 0.197 4.724 4.527 0.000 0.000 0.362 660 F C 1.518 177.263 175.800 -0.092 0.000 1.129 660 F CA -0.312 57.668 58.000 -0.034 0.000 1.154 660 F CB 1.058 40.089 39.000 0.052 0.000 1.205 660 F HN 0.561 nan 8.300 nan 0.000 0.513 661 K N 1.319 121.697 120.400 -0.038 0.000 2.002 661 K HA -0.144 4.176 4.320 0.001 0.000 0.209 661 K C 1.695 178.286 176.600 -0.016 0.000 1.048 661 K CA 1.935 58.184 56.287 -0.064 0.000 0.930 661 K CB -0.041 32.378 32.500 -0.134 0.000 0.714 661 K HN 0.631 nan 8.250 nan 0.000 0.438 662 T N 0.536 115.087 114.554 -0.005 0.000 2.746 662 T HA -0.077 4.273 4.350 0.001 0.000 0.267 662 T C 1.740 176.468 174.700 0.046 0.000 1.039 662 T CA 1.333 63.445 62.100 0.019 0.000 1.142 662 T CB -0.250 68.635 68.868 0.027 0.000 0.866 662 T HN 0.416 nan 8.240 nan 0.000 0.444 663 A N 0.855 123.726 122.820 0.084 0.000 2.239 663 A HA 0.107 4.428 4.320 0.001 0.000 0.209 663 A C 0.909 178.514 177.584 0.035 0.000 1.171 663 A CA 0.372 52.448 52.037 0.066 0.000 0.768 663 A CB -0.538 18.495 19.000 0.056 0.000 0.790 663 A HN 0.580 nan 8.150 nan 0.000 0.478 664 K N 0.061 120.472 120.400 0.020 0.000 3.177 664 K HA -0.153 4.168 4.320 0.001 0.000 0.266 664 K C -0.758 175.801 176.600 -0.068 0.000 0.937 664 K CA 1.068 57.336 56.287 -0.031 0.000 0.702 664 K CB -2.145 30.316 32.500 -0.065 0.000 1.365 664 K HN 0.457 nan 8.250 nan 0.000 0.466 665 T N 0.148 114.687 114.554 -0.025 0.000 2.916 665 T HA 0.332 4.683 4.350 0.001 0.000 0.298 665 T C -0.358 174.269 174.700 -0.123 0.000 1.031 665 T CA -0.620 61.428 62.100 -0.088 0.000 0.993 665 T CB 2.133 71.002 68.868 0.002 0.000 1.045 665 T HN 0.030 nan 8.240 nan 0.000 0.454 666 T N 2.346 116.613 114.554 -0.480 0.000 2.856 666 T HA 0.788 5.139 4.350 0.001 0.000 0.283 666 T C -0.601 173.867 174.700 -0.387 0.000 1.008 666 T CA -0.589 61.184 62.100 -0.545 0.000 0.997 666 T CB 1.474 69.738 68.868 -1.007 0.000 0.992 666 T HN 0.803 nan 8.240 nan 0.000 0.454 667 A N 1.704 124.399 122.820 -0.208 0.000 2.386 667 A HA 0.971 5.292 4.320 0.001 0.000 0.311 667 A C -0.843 176.603 177.584 -0.230 0.000 1.068 667 A CA -0.805 51.204 52.037 -0.046 0.000 0.743 667 A CB 1.413 20.568 19.000 0.258 0.000 1.258 667 A HN 1.154 nan 8.150 nan 0.000 0.429 668 A N 0.796 123.660 122.820 0.074 0.000 2.549 668 A HA 0.888 5.208 4.320 0.001 0.000 0.297 668 A C -0.352 177.366 177.584 0.223 0.000 1.061 668 A CA 0.017 52.058 52.037 0.007 0.000 0.690 668 A CB 1.306 20.281 19.000 -0.043 0.000 1.287 668 A HN 1.817 nan 8.150 nan 0.000 0.402 669 T N -1.105 113.508 114.554 0.099 0.000 2.863 669 T HA 0.778 5.128 4.350 0.001 0.000 0.285 669 T C -0.945 173.515 174.700 -0.400 0.000 1.009 669 T CA -0.393 61.718 62.100 0.018 0.000 0.989 669 T CB 0.861 69.776 68.868 0.078 0.000 1.004 669 T HN 0.350 nan 8.240 nan 0.000 0.455 670 F N 1.237 121.078 119.950 -0.182 0.000 2.467 670 F HA 0.500 5.027 4.527 0.001 0.000 0.336 670 F C 0.124 175.810 175.800 -0.190 0.000 1.123 670 F CA -1.121 56.785 58.000 -0.156 0.000 0.964 670 F CB 1.576 40.541 39.000 -0.058 0.000 1.136 670 F HN 0.718 nan 8.300 nan 0.000 0.447 671 W N 1.167 122.717 121.300 0.415 0.000 2.683 671 W HA 0.270 4.931 4.660 0.000 0.000 0.267 671 W C 0.173 176.856 176.519 0.274 0.000 1.243 671 W CA -0.017 57.540 57.345 0.352 0.000 1.380 671 W CB 0.398 29.916 29.460 0.096 0.000 1.063 671 W HN 0.144 nan 8.180 nan 0.000 0.599 672 K N -0.468 120.179 120.400 0.412 0.000 2.480 672 K HA 0.330 4.650 4.320 0.001 0.000 0.258 672 K C -2.760 173.984 176.600 0.241 0.000 0.990 672 K CA -2.196 54.255 56.287 0.274 0.000 0.857 672 K CB 1.756 34.388 32.500 0.220 0.000 1.384 672 K HN -0.536 nan 8.250 nan 0.000 0.446 673 P HA 0.172 nan 4.420 nan 0.000 0.268 673 P C -0.429 176.952 177.300 0.134 0.000 1.204 673 P CA 0.091 63.248 63.100 0.094 0.000 0.768 673 P CB 0.762 32.491 31.700 0.048 0.000 0.842 674 G N 1.697 110.580 108.800 0.138 0.000 2.327 674 G HA2 0.394 4.355 3.960 0.001 0.000 0.291 674 G HA3 0.394 4.355 3.960 0.001 0.000 0.291 674 G C -1.852 173.203 174.900 0.259 0.000 1.290 674 G CA -0.729 44.479 45.100 0.180 0.000 0.857 674 G HN 0.299 nan 8.290 nan 0.000 0.520 675 M N 0.521 120.270 119.600 0.247 0.000 2.383 675 M HA 0.699 5.180 4.480 0.001 0.000 0.325 675 M C -0.074 176.382 176.300 0.260 0.000 1.092 675 M CA -0.810 54.648 55.300 0.264 0.000 0.961 675 M CB 1.537 34.217 32.600 0.134 0.000 1.672 675 M HN 1.160 nan 8.290 nan 0.000 0.438 676 A N 2.217 125.211 122.820 0.289 0.000 2.293 676 A HA 0.705 5.026 4.320 0.001 0.000 0.312 676 A C 0.746 178.399 177.584 0.115 0.000 1.309 676 A CA 0.237 52.326 52.037 0.086 0.000 0.839 676 A CB 0.150 19.077 19.000 -0.123 0.000 1.155 676 A HN 1.139 nan 8.150 nan 0.000 0.501 677 G N 2.912 111.757 108.800 0.075 0.000 2.591 677 G HA2 -0.347 3.614 3.960 0.001 0.000 0.298 677 G HA3 -0.347 3.614 3.960 0.001 0.000 0.298 677 G C 0.462 175.420 174.900 0.098 0.000 1.195 677 G CA 0.954 46.102 45.100 0.081 0.000 0.989 677 G HN 1.344 nan 8.290 nan 0.000 0.551 678 D N 0.279 120.745 120.400 0.111 0.000 2.342 678 D HA 0.405 5.046 4.640 0.001 0.000 0.221 678 D C 0.769 177.094 176.300 0.041 0.000 1.101 678 D CA 0.030 54.074 54.000 0.073 0.000 0.837 678 D CB 0.283 41.120 40.800 0.061 0.000 0.938 678 D HN 0.547 nan 8.370 nan 0.000 0.508 679 L N 0.953 122.236 121.223 0.101 0.000 2.295 679 L HA 0.708 5.048 4.340 0.001 0.000 0.285 679 L C 0.094 177.055 176.870 0.151 0.000 1.035 679 L CA -0.250 54.635 54.840 0.075 0.000 0.806 679 L CB 1.689 43.879 42.059 0.218 0.000 1.214 679 L HN 0.044 nan 8.230 nan 0.000 0.426 680 G N 3.130 111.910 108.800 -0.034 0.000 2.498 680 G HA2 0.840 4.800 3.960 0.001 0.000 0.312 680 G HA3 0.840 4.800 3.960 0.001 0.000 0.312 680 G C -1.784 172.798 174.900 -0.530 0.000 1.230 680 G CA -0.267 44.741 45.100 -0.155 0.000 0.968 680 G HN 0.977 nan 8.290 nan 0.000 0.481 681 A N -0.207 122.131 122.820 -0.803 0.000 2.475 681 A HA 0.683 5.003 4.320 0.001 0.000 0.301 681 A C 0.802 178.175 177.584 -0.352 0.000 1.059 681 A CA 0.189 51.790 52.037 -0.727 0.000 0.710 681 A CB 1.577 19.831 19.000 -1.244 0.000 1.288 681 A HN 1.514 nan 8.150 nan 0.000 0.408 682 S N 0.358 115.920 115.700 -0.230 0.000 2.558 682 S HA 0.481 4.952 4.470 0.001 0.000 0.217 682 S C 0.838 175.395 174.600 -0.073 0.000 0.975 682 S CA 0.668 58.799 58.200 -0.116 0.000 0.912 682 S CB -0.166 62.978 63.200 -0.093 0.000 0.776 682 S HN 2.123 nan 8.310 nan 0.000 0.526 683 G N 0.446 109.188 108.800 -0.097 0.000 2.489 683 G HA2 0.504 4.465 3.960 0.001 0.000 0.305 683 G HA3 0.504 4.465 3.960 0.001 0.000 0.305 683 G C -3.519 171.355 174.900 -0.044 0.000 1.311 683 G CA -1.177 43.905 45.100 -0.029 0.000 0.813 683 G HN -0.004 nan 8.290 nan 0.000 0.480 684 P HA 0.398 nan 4.420 nan 0.000 0.263 684 P C -0.214 176.874 177.300 -0.353 0.000 1.175 684 P CA 0.965 63.969 63.100 -0.159 0.000 0.761 684 P CB 1.040 32.551 31.700 -0.315 0.000 0.794 685 A N 2.493 125.088 122.820 -0.374 0.000 2.594 685 A HA 0.551 4.871 4.320 0.001 0.000 0.296 685 A C -1.354 176.111 177.584 -0.198 0.000 1.061 685 A CA -0.403 51.463 52.037 -0.285 0.000 0.689 685 A CB 0.845 19.757 19.000 -0.148 0.000 1.280 685 A HN 0.493 nan 8.150 nan 0.000 0.406 686 C N 1.306 120.507 119.300 -0.164 0.000 2.379 686 C HA 0.801 5.262 4.460 0.001 0.000 0.323 686 C C -0.115 174.931 174.990 0.093 0.000 1.262 686 C CA -0.458 58.574 59.018 0.024 0.000 1.581 686 C CB 0.632 28.377 27.740 0.007 0.000 2.221 686 C HN 0.680 nan 8.230 nan 0.000 0.497 687 V N 3.850 123.885 119.914 0.202 0.000 2.760 687 V HA 0.678 4.798 4.120 0.001 0.000 0.309 687 V C -0.648 175.578 176.094 0.220 0.000 1.077 687 V CA -0.473 61.951 62.300 0.206 0.000 0.910 687 V CB 1.931 33.921 31.823 0.278 0.000 1.008 687 V HN 0.654 nan 8.190 nan 0.000 0.424 688 V N 5.061 125.081 119.914 0.178 0.000 2.656 688 V HA 0.716 4.836 4.120 0.001 0.000 0.307 688 V C -0.762 175.440 176.094 0.180 0.000 1.051 688 V CA -0.573 61.807 62.300 0.133 0.000 0.893 688 V CB 1.604 33.483 31.823 0.095 0.000 0.999 688 V HN 0.848 nan 8.190 nan 0.000 0.426 689 F N 1.652 121.627 119.950 0.043 0.000 2.613 689 F HA 0.927 5.454 4.527 0.001 0.000 0.314 689 F C -0.507 175.293 175.800 -0.000 0.000 1.075 689 F CA -1.017 56.982 58.000 -0.001 0.000 0.945 689 F CB 2.154 41.132 39.000 -0.038 0.000 1.310 689 F HN 0.417 nan 8.300 nan 0.000 0.467 690 S N 1.581 117.393 115.700 0.186 0.000 2.566 690 S HA 0.458 4.929 4.470 0.001 0.000 0.273 690 S C -1.557 173.053 174.600 0.016 0.000 1.157 690 S CA -0.799 57.414 58.200 0.021 0.000 0.938 690 S CB 1.322 64.487 63.200 -0.058 0.000 1.087 690 S HN 1.072 nan 8.310 nan 0.000 0.474 691 R N 3.506 124.000 120.500 -0.009 0.000 2.297 691 R HA 0.403 4.743 4.340 0.001 0.000 0.308 691 R C -0.933 175.282 176.300 -0.142 0.000 1.029 691 R CA -0.366 55.749 56.100 0.025 0.000 0.929 691 R CB 0.426 30.830 30.300 0.175 0.000 1.046 691 R HN 0.748 nan 8.270 nan 0.000 0.461 692 H N 3.781 122.917 119.070 0.110 0.000 2.786 692 H HA 0.191 4.747 4.556 0.001 0.000 0.284 692 H C 0.890 176.289 175.328 0.118 0.000 1.104 692 H CA 0.127 56.232 56.048 0.094 0.000 1.339 692 H CB 1.687 31.488 29.762 0.065 0.000 1.427 692 H HN 1.057 nan 8.280 nan 0.000 0.497 693 G N 4.278 113.191 108.800 0.188 0.000 2.646 693 G HA2 -0.442 3.518 3.960 0.001 0.000 0.324 693 G HA3 -0.442 3.518 3.960 0.001 0.000 0.324 693 G C 0.936 175.960 174.900 0.206 0.000 1.195 693 G CA 0.773 45.969 45.100 0.160 0.000 0.976 693 G HN 0.674 nan 8.290 nan 0.000 0.546 694 N N 2.300 121.117 118.700 0.196 0.000 2.295 694 N HA 0.216 4.957 4.740 0.001 0.000 0.221 694 N C 0.010 175.758 175.510 0.396 0.000 1.129 694 N CA 0.766 53.952 53.050 0.227 0.000 0.836 694 N CB 0.443 38.999 38.487 0.115 0.000 1.040 694 N HN 0.782 nan 8.380 nan 0.000 0.494 695 E N 0.387 120.817 120.200 0.384 0.000 2.256 695 E HA 0.316 4.666 4.350 0.001 0.000 0.268 695 E C -1.573 175.080 176.600 0.089 0.000 0.877 695 E CA -0.905 55.658 56.400 0.271 0.000 0.757 695 E CB 2.318 32.116 29.700 0.164 0.000 1.183 695 E HN 0.030 nan 8.360 nan 0.000 0.418 696 L N 2.143 123.172 121.223 -0.322 0.000 2.287 696 L HA 0.404 4.745 4.340 0.001 0.000 0.287 696 L C -0.908 175.807 176.870 -0.258 0.000 1.022 696 L CA -0.119 54.394 54.840 -0.545 0.000 0.814 696 L CB 1.639 42.797 42.059 -1.502 0.000 1.217 696 L HN 0.336 nan 8.230 nan 0.000 0.420 697 S N 5.462 121.133 115.700 -0.047 0.000 2.489 697 S HA 0.826 5.296 4.470 0.001 0.000 0.291 697 S C -0.712 173.904 174.600 0.027 0.000 1.151 697 S CA -0.390 57.816 58.200 0.010 0.000 1.082 697 S CB 1.032 64.298 63.200 0.111 0.000 1.019 697 S HN 0.465 nan 8.310 nan 0.000 0.492 698 L N 1.960 123.185 121.223 0.003 0.000 2.409 698 L HA 0.825 5.166 4.340 0.001 0.000 0.262 698 L C -0.385 176.505 176.870 0.034 0.000 0.992 698 L CA -0.549 54.316 54.840 0.041 0.000 0.817 698 L CB 1.935 43.982 42.059 -0.020 0.000 1.350 698 L HN 0.698 nan 8.230 nan 0.000 0.411 699 A N 1.950 124.805 122.820 0.059 0.000 2.355 699 A HA 0.944 5.264 4.320 0.001 0.000 0.317 699 A C -1.227 176.379 177.584 0.036 0.000 1.094 699 A CA -0.602 51.457 52.037 0.037 0.000 0.764 699 A CB 1.570 20.596 19.000 0.043 0.000 1.230 699 A HN 0.398 nan 8.150 nan 0.000 0.448 700 V N 1.761 121.678 119.914 0.005 0.000 2.760 700 V HA 0.725 4.845 4.120 0.001 0.000 0.309 700 V C 0.009 176.080 176.094 -0.040 0.000 1.077 700 V CA -0.307 61.984 62.300 -0.014 0.000 0.910 700 V CB 1.903 33.703 31.823 -0.039 0.000 1.008 700 V HN 1.223 nan 8.190 nan 0.000 0.424 701 S N 1.979 117.641 115.700 -0.064 0.000 2.599 701 S HA 0.722 5.192 4.470 0.001 0.000 0.294 701 S C -0.870 173.626 174.600 -0.173 0.000 1.094 701 S CA -0.689 57.451 58.200 -0.100 0.000 0.931 701 S CB 2.544 65.692 63.200 -0.087 0.000 1.093 701 S HN 0.709 nan 8.310 nan 0.000 0.488 702 E N 2.232 122.328 120.200 -0.172 0.000 2.103 702 E HA 0.323 4.673 4.350 0.001 0.000 0.254 702 E C -2.022 174.423 176.600 -0.258 0.000 0.940 702 E CA -2.443 53.825 56.400 -0.221 0.000 0.771 702 E CB 1.322 30.936 29.700 -0.143 0.000 1.153 702 E HN 0.531 nan 8.360 nan 0.000 0.428 703 P HA -0.031 nan 4.420 nan 0.000 0.241 703 P C 1.081 178.286 177.300 -0.158 0.000 1.191 703 P CA 0.567 63.440 63.100 -0.379 0.000 0.771 703 P CB 0.129 31.333 31.700 -0.826 0.000 0.929 704 T N -3.241 111.211 114.554 -0.169 0.000 2.995 704 T HA -0.102 4.248 4.350 0.001 0.000 0.269 704 T C 1.260 175.982 174.700 0.036 0.000 1.091 704 T CA 0.592 62.715 62.100 0.037 0.000 1.128 704 T CB -0.907 67.992 68.868 0.051 0.000 0.891 704 T HN 0.188 nan 8.240 nan 0.000 0.492 705 Q N -0.393 119.399 119.800 -0.013 0.000 2.416 705 Q HA -0.205 4.135 4.340 0.001 0.000 0.235 705 Q C 0.694 176.702 176.000 0.013 0.000 0.773 705 Q CA 1.432 57.237 55.803 0.004 0.000 1.286 705 Q CB -1.579 27.175 28.738 0.027 0.000 1.556 705 Q HN 0.598 nan 8.270 nan 0.000 0.650 706 K N -0.969 119.438 120.400 0.010 0.000 2.517 706 K HA 0.407 4.728 4.320 0.001 0.000 0.210 706 K C 0.075 176.680 176.600 0.007 0.000 1.166 706 K CA 0.495 56.794 56.287 0.019 0.000 1.030 706 K CB 1.306 33.829 32.500 0.038 0.000 0.974 706 K HN 0.213 nan 8.250 nan 0.000 0.585 707 A N 0.781 123.595 122.820 -0.011 0.000 2.309 707 A HA 0.593 4.913 4.320 0.001 0.000 0.298 707 A C 0.935 178.506 177.584 -0.022 0.000 1.165 707 A CA -0.128 51.899 52.037 -0.018 0.000 0.821 707 A CB 0.894 19.873 19.000 -0.035 0.000 1.102 707 A HN 0.233 nan 8.150 nan 0.000 0.500 708 A N 2.036 124.846 122.820 -0.016 0.000 2.072 708 A HA 0.490 4.810 4.320 0.001 0.000 0.216 708 A C 1.101 178.671 177.584 -0.025 0.000 1.156 708 A CA 1.256 53.283 52.037 -0.016 0.000 0.701 708 A CB -0.218 18.777 19.000 -0.008 0.000 0.816 708 A HN 1.685 nan 8.150 nan 0.000 0.458 709 G N -1.650 107.131 108.800 -0.032 0.000 2.690 709 G HA2 0.556 4.516 3.960 0.001 0.000 0.291 709 G HA3 0.556 4.516 3.960 0.001 0.000 0.291 709 G C -1.847 173.020 174.900 -0.056 0.000 1.403 709 G CA -0.397 44.679 45.100 -0.040 0.000 0.864 709 G HN 0.671 nan 8.290 nan 0.000 0.480 710 L N -0.126 121.057 121.223 -0.067 0.000 2.513 710 L HA 0.789 5.129 4.340 0.001 0.000 0.261 710 L C -0.749 176.065 176.870 -0.094 0.000 0.945 710 L CA -0.215 54.570 54.840 -0.092 0.000 0.848 710 L CB 2.413 44.404 42.059 -0.114 0.000 1.334 710 L HN 0.548 nan 8.230 nan 0.000 0.407 711 T N 5.514 120.004 114.554 -0.108 0.000 2.792 711 T HA 0.633 4.984 4.350 0.001 0.000 0.280 711 T C -0.477 174.134 174.700 -0.150 0.000 0.990 711 T CA -0.337 61.700 62.100 -0.105 0.000 0.960 711 T CB 0.928 69.749 68.868 -0.078 0.000 0.939 711 T HN 0.476 nan 8.240 nan 0.000 0.439 712 L N 2.659 123.794 121.223 -0.146 0.000 2.325 712 L HA 0.487 4.827 4.340 0.001 0.000 0.279 712 L C 0.533 177.322 176.870 -0.136 0.000 1.054 712 L CA -0.797 53.935 54.840 -0.181 0.000 0.804 712 L CB 1.177 43.132 42.059 -0.174 0.000 1.200 712 L HN 0.528 nan 8.230 nan 0.000 0.436 713 T N 4.057 118.525 114.554 -0.143 0.000 2.733 713 T HA 0.447 4.797 4.350 0.001 0.000 0.294 713 T C 0.090 174.733 174.700 -0.095 0.000 0.956 713 T CA -0.419 61.629 62.100 -0.088 0.000 0.987 713 T CB 0.419 69.246 68.868 -0.068 0.000 0.920 713 T HN 0.261 nan 8.240 nan 0.000 0.470 714 L N 6.854 128.041 121.223 -0.061 0.000 2.371 714 L HA 0.376 4.716 4.340 0.001 0.000 0.272 714 L C -1.600 175.232 176.870 -0.064 0.000 1.124 714 L CA -1.878 52.907 54.840 -0.092 0.000 0.816 714 L CB 0.544 42.609 42.059 0.010 0.000 1.129 714 L HN 0.377 nan 8.230 nan 0.000 0.448 715 P HA 0.121 nan 4.420 nan 0.000 0.282 715 P C -0.584 176.780 177.300 0.107 0.000 1.287 715 P CA -0.199 62.803 63.100 -0.163 0.000 0.792 715 P CB 0.739 32.083 31.700 -0.592 0.000 1.163 716 E N -1.415 118.877 120.200 0.152 0.000 2.694 716 E HA -0.199 4.152 4.350 0.001 0.000 0.272 716 E C 0.832 177.578 176.600 0.244 0.000 1.040 716 E CA 1.427 57.986 56.400 0.264 0.000 0.809 716 E CB -2.116 27.823 29.700 0.397 0.000 1.389 716 E HN 1.028 nan 8.360 nan 0.000 0.413 717 G N -0.921 107.943 108.800 0.106 0.000 2.545 717 G HA2 -0.235 3.726 3.960 0.001 0.000 0.216 717 G HA3 -0.235 3.726 3.960 0.001 0.000 0.216 717 G C 0.036 174.793 174.900 -0.239 0.000 1.314 717 G CA 0.303 45.344 45.100 -0.098 0.000 0.906 717 G HN 0.771 nan 8.290 nan 0.000 0.563 718 T N -2.421 111.853 114.554 -0.466 0.000 2.943 718 T HA 0.672 5.023 4.350 0.001 0.000 0.284 718 T C -0.840 173.340 174.700 -0.867 0.000 1.015 718 T CA -0.174 61.679 62.100 -0.411 0.000 1.042 718 T CB 1.910 70.646 68.868 -0.219 0.000 1.055 718 T HN 0.963 nan 8.240 nan 0.000 0.500 719 W N 0.578 121.863 121.300 -0.026 0.000 2.900 719 W HA 0.503 5.163 4.660 0.000 0.000 0.336 719 W C 0.698 177.207 176.519 -0.017 0.000 1.064 719 W CA -0.779 56.554 57.345 -0.020 0.000 1.237 719 W CB 2.153 31.596 29.460 -0.028 0.000 1.391 719 W HN 0.875 nan 8.180 nan 0.000 0.468 720 S N -0.330 115.457 115.700 0.145 0.000 2.559 720 S HA 0.287 4.757 4.470 0.001 0.000 0.226 720 S C 0.267 174.917 174.600 0.084 0.000 1.030 720 S CA 0.088 58.334 58.200 0.077 0.000 0.956 720 S CB 0.159 63.370 63.200 0.017 0.000 0.900 720 S HN 0.337 nan 8.310 nan 0.000 0.510 721 S N 0.494 116.265 115.700 0.119 0.000 2.549 721 S HA 0.728 5.199 4.470 0.001 0.000 0.280 721 S C -0.924 173.731 174.600 0.092 0.000 1.109 721 S CA -0.763 57.490 58.200 0.087 0.000 0.905 721 S CB 1.725 64.966 63.200 0.070 0.000 1.081 721 S HN 0.155 nan 8.310 nan 0.000 0.477 722 V N 3.970 123.917 119.914 0.055 0.000 2.385 722 V HA 0.268 4.389 4.120 0.001 0.000 0.269 722 V C 0.918 177.030 176.094 0.030 0.000 1.043 722 V CA -0.381 61.940 62.300 0.034 0.000 0.906 722 V CB 0.273 32.106 31.823 0.016 0.000 0.995 722 V HN 0.947 nan 8.190 nan 0.000 0.467 723 L N 3.137 124.377 121.223 0.029 0.000 2.145 723 L HA 0.241 4.582 4.340 0.001 0.000 0.201 723 L C 0.806 177.683 176.870 0.011 0.000 1.075 723 L CA 1.037 55.892 54.840 0.024 0.000 0.773 723 L CB 0.171 42.249 42.059 0.031 0.000 0.936 723 L HN 0.621 nan 8.230 nan 0.000 0.451 724 E N -1.181 119.020 120.200 0.002 0.000 2.288 724 E HA 0.537 4.887 4.350 0.001 0.000 0.268 724 E C -0.253 176.342 176.600 -0.008 0.000 0.885 724 E CA -0.154 56.245 56.400 -0.003 0.000 0.767 724 E CB 2.187 31.884 29.700 -0.006 0.000 1.220 724 E HN 0.149 nan 8.360 nan 0.000 0.427 725 G N 0.964 109.759 108.800 -0.007 0.000 2.681 725 G HA2 0.107 4.068 3.960 0.001 0.000 0.220 725 G HA3 0.107 4.068 3.960 0.001 0.000 0.220 725 G C -0.797 174.097 174.900 -0.010 0.000 1.353 725 G CA -0.454 44.640 45.100 -0.011 0.000 0.872 725 G HN 0.804 nan 8.290 nan 0.000 0.557 726 A N -1.037 121.774 122.820 -0.014 0.000 2.354 726 A HA 1.274 5.594 4.320 0.001 0.000 0.321 726 A C 0.724 178.296 177.584 -0.019 0.000 1.125 726 A CA 0.716 52.744 52.037 -0.014 0.000 0.799 726 A CB 1.612 20.604 19.000 -0.013 0.000 1.293 726 A HN 2.994 nan 8.150 nan 0.000 0.452 727 G N -0.845 107.945 108.800 -0.017 0.000 2.321 727 G HA2 0.467 4.427 3.960 0.001 0.000 0.339 727 G HA3 0.467 4.427 3.960 0.001 0.000 0.339 727 G C -0.910 173.982 174.900 -0.014 0.000 1.518 727 G CA -0.282 44.806 45.100 -0.021 0.000 0.994 727 G HN 1.007 nan 8.290 nan 0.000 0.668 728 T N 1.649 116.194 114.554 -0.015 0.000 2.770 728 T HA 0.594 4.945 4.350 0.001 0.000 0.283 728 T C 0.664 175.362 174.700 -0.004 0.000 0.988 728 T CA -0.373 61.722 62.100 -0.007 0.000 0.957 728 T CB 1.038 69.901 68.868 -0.009 0.000 0.930 728 T HN 0.531 nan 8.240 nan 0.000 0.443 729 L N 2.746 123.974 121.223 0.008 0.000 2.417 729 L HA 0.702 5.042 4.340 0.001 0.000 0.268 729 L C 1.008 177.886 176.870 0.013 0.000 1.158 729 L CA -0.058 54.793 54.840 0.019 0.000 0.819 729 L CB 0.694 42.778 42.059 0.042 0.000 1.112 729 L HN 0.813 nan 8.230 nan 0.000 0.458 730 G N 0.815 109.623 108.800 0.014 0.000 2.663 730 G HA2 0.643 4.603 3.960 0.001 0.000 0.299 730 G HA3 0.643 4.603 3.960 0.001 0.000 0.299 730 G C -1.548 173.357 174.900 0.008 0.000 1.372 730 G CA -0.314 44.790 45.100 0.006 0.000 0.781 730 G HN 0.389 nan 8.290 nan 0.000 0.491 731 T N 0.847 115.402 114.554 0.002 0.000 2.916 731 T HA 0.559 4.910 4.350 0.001 0.000 0.298 731 T C -0.911 173.786 174.700 -0.004 0.000 1.031 731 T CA -0.548 61.552 62.100 0.000 0.000 0.993 731 T CB 1.921 70.787 68.868 -0.002 0.000 1.045 731 T HN 0.836 nan 8.240 nan 0.000 0.454 732 D N 1.298 121.695 120.400 -0.005 0.000 2.539 732 D HA 0.583 5.223 4.640 0.001 0.000 0.276 732 D C 1.508 177.805 176.300 -0.005 0.000 1.206 732 D CA -0.655 53.341 54.000 -0.007 0.000 1.081 732 D CB 0.238 41.033 40.800 -0.009 0.000 1.142 732 D HN 0.455 nan 8.370 nan 0.000 0.595 733 A N -0.539 122.278 122.820 -0.004 0.000 1.972 733 A HA -0.129 4.191 4.320 0.001 0.000 0.219 733 A C 1.162 178.745 177.584 -0.003 0.000 1.169 733 A CA 1.454 53.489 52.037 -0.003 0.000 0.635 733 A CB -0.549 18.450 19.000 -0.001 0.000 0.810 733 A HN 0.541 nan 8.150 nan 0.000 0.446 734 D N -1.368 119.031 120.400 -0.003 0.000 2.342 734 D HA 0.316 4.956 4.640 0.001 0.000 0.221 734 D C 1.248 177.545 176.300 -0.005 0.000 1.101 734 D CA 0.875 54.874 54.000 -0.002 0.000 0.837 734 D CB 0.039 40.839 40.800 0.001 0.000 0.938 734 D HN 0.561 nan 8.370 nan 0.000 0.508 735 G N 1.360 110.156 108.800 -0.007 0.000 2.179 735 G HA2 -0.337 3.624 3.960 0.001 0.000 0.260 735 G HA3 -0.337 3.624 3.960 0.001 0.000 0.260 735 G C 0.422 175.315 174.900 -0.011 0.000 0.977 735 G CA -0.261 44.832 45.100 -0.011 0.000 0.641 735 G HN 0.317 nan 8.290 nan 0.000 0.533 736 R N 0.631 121.128 120.500 -0.005 0.000 2.459 736 R HA 0.561 4.901 4.340 0.001 0.000 0.281 736 R C 0.351 176.658 176.300 0.012 0.000 1.050 736 R CA -0.151 55.950 56.100 0.003 0.000 1.055 736 R CB 0.903 31.206 30.300 0.005 0.000 1.045 736 R HN 0.198 nan 8.270 nan 0.000 0.495 737 S N 1.156 116.878 115.700 0.036 0.000 2.564 737 S HA 0.139 4.610 4.470 0.001 0.000 0.278 737 S C 0.267 174.892 174.600 0.042 0.000 1.333 737 S CA -0.475 57.761 58.200 0.060 0.000 1.048 737 S CB 1.002 64.287 63.200 0.141 0.000 0.900 737 S HN 0.662 nan 8.310 nan 0.000 0.505 738 T N 0.235 114.801 114.554 0.020 0.000 2.932 738 T HA 0.729 5.080 4.350 0.001 0.000 0.289 738 T C -0.873 173.819 174.700 -0.013 0.000 1.039 738 T CA -0.916 61.177 62.100 -0.011 0.000 1.024 738 T CB 1.181 70.035 68.868 -0.024 0.000 1.090 738 T HN 0.328 nan 8.240 nan 0.000 0.496 739 L N 1.449 122.647 121.223 -0.042 0.000 2.404 739 L HA 0.627 4.967 4.340 0.001 0.000 0.272 739 L C -0.627 176.210 176.870 -0.056 0.000 0.980 739 L CA -0.094 54.719 54.840 -0.045 0.000 0.836 739 L CB 2.065 44.085 42.059 -0.065 0.000 1.238 739 L HN 0.941 nan 8.230 nan 0.000 0.408 740 T N 6.148 120.677 114.554 -0.043 0.000 2.771 740 T HA 0.654 5.005 4.350 0.001 0.000 0.281 740 T C -0.404 174.271 174.700 -0.042 0.000 0.982 740 T CA -0.249 61.824 62.100 -0.045 0.000 0.978 740 T CB 0.782 69.630 68.868 -0.034 0.000 0.930 740 T HN 0.416 nan 8.240 nan 0.000 0.447 741 L N 2.601 123.794 121.223 -0.050 0.000 2.346 741 L HA 0.517 4.857 4.340 0.001 0.000 0.274 741 L C -0.081 176.765 176.870 -0.040 0.000 1.007 741 L CA -1.134 53.678 54.840 -0.045 0.000 0.818 741 L CB 1.623 43.649 42.059 -0.056 0.000 1.284 741 L HN 0.483 nan 8.230 nan 0.000 0.424 742 D N 1.022 121.403 120.400 -0.032 0.000 2.339 742 D HA 0.145 4.785 4.640 0.001 0.000 0.241 742 D C 0.674 176.956 176.300 -0.030 0.000 1.183 742 D CA -0.190 53.794 54.000 -0.027 0.000 0.859 742 D CB 1.312 42.100 40.800 -0.019 0.000 1.067 742 D HN 0.632 nan 8.370 nan 0.000 0.484 743 T N -0.375 114.159 114.554 -0.033 0.000 3.134 743 T HA 0.110 4.461 4.350 0.001 0.000 0.260 743 T C 0.663 175.347 174.700 -0.027 0.000 1.027 743 T CA -0.436 61.642 62.100 -0.037 0.000 0.913 743 T CB -0.341 68.494 68.868 -0.054 0.000 1.046 743 T HN 0.218 nan 8.240 nan 0.000 0.553 744 T N 2.922 117.465 114.554 -0.019 0.000 2.822 744 T HA 0.379 4.729 4.350 0.001 0.000 0.288 744 T C 1.489 176.185 174.700 -0.007 0.000 0.991 744 T CA 1.029 63.123 62.100 -0.010 0.000 1.176 744 T CB -0.199 68.665 68.868 -0.007 0.000 0.951 744 T HN 0.803 nan 8.240 nan 0.000 0.526 745 G N 3.184 111.983 108.800 -0.001 0.000 2.203 745 G HA2 -0.264 3.696 3.960 0.001 0.000 0.263 745 G HA3 -0.264 3.696 3.960 0.001 0.000 0.263 745 G C 0.798 175.700 174.900 0.003 0.000 1.012 745 G CA 0.238 45.341 45.100 0.005 0.000 0.749 745 G HN 0.747 nan 8.290 nan 0.000 0.512 746 L N -0.034 121.185 121.223 -0.006 0.000 2.478 746 L HA 0.085 4.425 4.340 0.001 0.000 0.223 746 L C 1.821 178.689 176.870 -0.003 0.000 1.140 746 L CA 0.893 55.727 54.840 -0.011 0.000 0.842 746 L CB -0.155 41.888 42.059 -0.025 0.000 0.953 746 L HN 0.439 nan 8.230 nan 0.000 0.452 747 S N 0.142 115.847 115.700 0.008 0.000 3.641 747 S HA -0.216 4.254 4.470 0.001 0.000 0.346 747 S C 1.223 175.828 174.600 0.008 0.000 1.074 747 S CA 0.602 58.817 58.200 0.025 0.000 1.026 747 S CB -1.809 61.427 63.200 0.060 0.000 0.908 747 S HN 0.832 nan 8.310 nan 0.000 0.479 748 G N -0.259 108.533 108.800 -0.015 0.000 2.184 748 G HA2 -0.337 3.623 3.960 0.001 0.000 0.264 748 G HA3 -0.337 3.623 3.960 0.001 0.000 0.264 748 G C 0.000 174.882 174.900 -0.030 0.000 0.975 748 G CA 0.762 45.845 45.100 -0.028 0.000 0.642 748 G HN 0.697 nan 8.290 nan 0.000 0.536 749 K N 0.473 120.858 120.400 -0.026 0.000 2.219 749 K HA 0.445 4.765 4.320 0.001 0.000 0.258 749 K C 0.328 176.907 176.600 -0.036 0.000 1.008 749 K CA 0.162 56.431 56.287 -0.029 0.000 0.928 749 K CB 0.462 32.948 32.500 -0.024 0.000 0.983 749 K HN 0.087 nan 8.250 nan 0.000 0.484 750 T N 2.561 117.095 114.554 -0.034 0.000 2.845 750 T HA 0.179 4.530 4.350 0.001 0.000 0.288 750 T C -0.285 174.399 174.700 -0.025 0.000 0.980 750 T CA -0.584 61.499 62.100 -0.028 0.000 1.071 750 T CB 0.649 69.504 68.868 -0.021 0.000 0.941 750 T HN 0.161 nan 8.240 nan 0.000 0.487 751 K N 3.412 123.796 120.400 -0.026 0.000 2.206 751 K HA 0.483 4.804 4.320 0.001 0.000 0.264 751 K C -0.538 176.052 176.600 -0.017 0.000 0.967 751 K CA -0.516 55.757 56.287 -0.023 0.000 0.844 751 K CB 1.480 33.962 32.500 -0.030 0.000 1.099 751 K HN 0.497 nan 8.250 nan 0.000 0.441 752 L N 4.507 125.722 121.223 -0.013 0.000 2.295 752 L HA 0.545 4.885 4.340 0.001 0.000 0.285 752 L C -0.142 176.719 176.870 -0.016 0.000 1.035 752 L CA -0.835 54.000 54.840 -0.009 0.000 0.806 752 L CB 0.696 42.753 42.059 -0.003 0.000 1.214 752 L HN 0.402 nan 8.230 nan 0.000 0.426 753 I N 3.075 123.631 120.570 -0.022 0.000 2.730 753 I HA 0.454 4.625 4.170 0.001 0.000 0.298 753 I C -0.500 175.590 176.117 -0.045 0.000 1.089 753 I CA -0.475 60.804 61.300 -0.036 0.000 1.041 753 I CB 2.276 40.245 38.000 -0.052 0.000 1.235 753 I HN 0.445 nan 8.210 nan 0.000 0.423 754 K N 5.862 126.236 120.400 -0.042 0.000 2.443 754 K HA 0.742 5.063 4.320 0.001 0.000 0.252 754 K C -1.818 174.753 176.600 -0.048 0.000 0.933 754 K CA -0.507 55.750 56.287 -0.051 0.000 0.792 754 K CB 1.513 34.000 32.500 -0.021 0.000 1.185 754 K HN 0.570 nan 8.250 nan 0.000 0.425 755 L N 2.747 123.909 121.223 -0.100 0.000 2.322 755 L HA 0.586 4.926 4.340 0.001 0.000 0.269 755 L C -0.426 176.526 176.870 0.137 0.000 1.012 755 L CA -1.058 53.772 54.840 -0.017 0.000 0.815 755 L CB 1.882 43.869 42.059 -0.120 0.000 1.295 755 L HN 0.562 nan 8.230 nan 0.000 0.438 756 K N 1.396 121.968 120.400 0.286 0.000 2.316 756 K HA 0.445 4.765 4.320 0.001 0.000 0.251 756 K C -0.413 176.440 176.600 0.422 0.000 0.934 756 K CA -0.778 55.720 56.287 0.352 0.000 0.802 756 K CB 2.312 34.917 32.500 0.176 0.000 1.171 756 K HN 0.508 nan 8.250 nan 0.000 0.426 757 R N 0.000 120.671 120.500 0.285 0.000 2.786 757 R HA 0.000 4.340 4.340 0.001 0.000 0.208 757 R CA 0.000 56.002 56.100 -0.164 0.000 0.921 757 R CB 0.000 30.087 30.300 -0.355 0.000 0.687 757 R HN 0.000 nan 8.270 nan 0.000 0.535