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 2npf_1_A DATA FIRST_RESID 3 DATA SEQUENCE AFTVDQMRSL MDKVTNVRNM SVIAHVDHGK STLTDSLVQR AGIISAXXXX DATA SEQUENCE XXXXXXXXXX XXXXGITIKS TAISLYSEMS DEDVKEIKQK TDGNSFLINL DATA SEQUENCE IDSPGHVDFS SEVTAALRVT DGALVVVDTI EGVCVQTETV LRQALGERIK DATA SEQUENCE PVVVINKVDR ALLELQVSKE DLYQTFARTV ESVNVIVSTY ADEVLGDVQV DATA SEQUENCE YPARGTVAFG SGLHGWAFTI RQFATRYAKK FGVDKAKMMD RLWGDSFFNP DATA SEQUENCE KTKKWTNKDT DAEGKPLERA FNMFILDPIF RLFTAIMNFK KDEIPVLLEK DATA SEQUENCE LEIVLKGDEK DLEGKALLKV VMRKFLPAAD ALLEMIVLHL PSPVTAQAYR DATA SEQUENCE AEQLYEGPAD DANCIAIKNC DPKADLMLYV SKMVPTSDKG RFYAFGRVFA DATA SEQUENCE GTVKSGQKVR IQGPNYVPGK KDDLFIKAIQ RVVLMMGRFV EPIDDCPAGN DATA SEQUENCE IIGLVGIDQF LLKTGTLTTS ETAHNMKVMK FSVSPVVQVA VEVKNANDLP DATA SEQUENCE KLVEGLKRLS KSDPCVLTYM SESGEHIVAG TGELHLEICL QDLEHDHAGV DATA SEQUENCE PLKISPPVVA YRETVESESS QTALSKSPNK HNRIYLKAEP IDEEVSLAIE DATA SEQUENCE NGIINPRDDF KARARIMADD YGWDVTDARK IWCFGPDGNG PNLVIDQTKA DATA SEQUENCE VQYLHEIKDS VVAAFQWATK EGPIFGEEMR SVRVNILDVT LHADAIHRGG DATA SEQUENCE GQIIPTMRRA TYAGFLLADP KIQEPVFLVE IQCPEQAVGG IYSVLNKKRG DATA SEQUENCE QVVSEEQRPG TPLFTVKAYL PVNESFGFTG ELRQATGGQA FPQMVFDHWS DATA SEQUENCE TLGSDPLDPT SKAGEIVLAA RKRHGMKEEV PGWQEYYDKL 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.378 177.584 -0.344 0.000 1.274 3 A CA 0.000 51.822 52.037 -0.358 0.000 0.836 3 A CB 0.000 18.909 19.000 -0.152 0.000 0.831 4 F N 0.345 120.258 119.950 -0.062 0.000 2.654 4 F HA 0.851 5.377 4.527 -0.001 0.000 0.334 4 F C 0.997 176.765 175.800 -0.053 0.000 1.078 4 F CA -0.160 57.792 58.000 -0.080 0.000 0.986 4 F CB 1.936 40.869 39.000 -0.111 0.000 1.362 4 F HN 0.714 nan 8.300 nan 0.000 0.498 5 T N -2.255 112.399 114.554 0.167 0.000 2.944 5 T HA 0.466 4.816 4.350 -0.001 0.000 0.284 5 T C 0.756 175.478 174.700 0.037 0.000 1.010 5 T CA -0.639 61.499 62.100 0.064 0.000 1.025 5 T CB 1.341 70.223 68.868 0.023 0.000 1.079 5 T HN 0.269 nan 8.240 nan 0.000 0.516 6 V N 1.326 121.252 119.914 0.021 0.000 2.469 6 V HA -0.160 3.959 4.120 -0.001 0.000 0.251 6 V C 2.330 178.412 176.094 -0.019 0.000 1.064 6 V CA 2.024 64.330 62.300 0.010 0.000 1.066 6 V CB -0.801 31.026 31.823 0.007 0.000 0.667 6 V HN 0.871 nan 8.190 nan 0.000 0.461 7 D N -0.389 119.992 120.400 -0.033 0.000 2.084 7 D HA -0.158 4.481 4.640 -0.001 0.000 0.196 7 D C 2.318 178.557 176.300 -0.101 0.000 0.985 7 D CA 1.216 55.182 54.000 -0.056 0.000 0.826 7 D CB -0.215 40.554 40.800 -0.052 0.000 0.978 7 D HN 0.516 nan 8.370 nan 0.000 0.456 8 Q N -0.193 119.525 119.800 -0.137 0.000 2.077 8 Q HA -0.170 4.169 4.340 -0.001 0.000 0.206 8 Q C 2.267 178.079 176.000 -0.313 0.000 0.989 8 Q CA 1.192 56.820 55.803 -0.292 0.000 0.853 8 Q CB -0.084 28.411 28.738 -0.405 0.000 0.907 8 Q HN 0.238 nan 8.270 nan 0.000 0.418 9 M N 0.042 119.540 119.600 -0.171 0.000 2.065 9 M HA -0.172 4.307 4.480 -0.001 0.000 0.259 9 M C 2.175 178.428 176.300 -0.077 0.000 1.069 9 M CA 1.528 56.777 55.300 -0.085 0.000 1.110 9 M CB -0.937 31.676 32.600 0.021 0.000 1.328 9 M HN 0.061 nan 8.290 nan 0.000 0.405 10 R N 0.305 120.767 120.500 -0.064 0.000 2.117 10 R HA -0.109 4.231 4.340 -0.001 0.000 0.243 10 R C 2.417 178.674 176.300 -0.071 0.000 1.143 10 R CA 2.105 58.173 56.100 -0.053 0.000 0.968 10 R CB -0.938 29.335 30.300 -0.045 0.000 0.863 10 R HN 0.377 nan 8.270 nan 0.000 0.444 11 S N -0.615 115.024 115.700 -0.103 0.000 2.356 11 S HA -0.045 4.424 4.470 -0.001 0.000 0.223 11 S C 1.710 176.246 174.600 -0.107 0.000 1.032 11 S CA 1.007 59.140 58.200 -0.110 0.000 1.005 11 S CB -0.223 62.890 63.200 -0.145 0.000 0.867 11 S HN 0.295 nan 8.310 nan 0.000 0.449 12 L N 1.199 122.346 121.223 -0.127 0.000 2.127 12 L HA -0.035 4.305 4.340 -0.001 0.000 0.211 12 L C 2.351 179.192 176.870 -0.048 0.000 1.089 12 L CA 1.713 56.503 54.840 -0.084 0.000 0.757 12 L CB -1.354 40.673 42.059 -0.053 0.000 0.899 12 L HN 0.493 nan 8.230 nan 0.000 0.434 13 M N -1.282 118.292 119.600 -0.044 0.000 2.394 13 M HA -0.130 4.349 4.480 -0.001 0.000 0.264 13 M C 1.548 177.823 176.300 -0.041 0.000 1.073 13 M CA 0.919 56.199 55.300 -0.033 0.000 1.111 13 M CB -0.262 32.322 32.600 -0.027 0.000 1.401 13 M HN 0.123 nan 8.290 nan 0.000 0.448 14 D N 1.124 121.494 120.400 -0.050 0.000 2.183 14 D HA -0.041 4.599 4.640 -0.001 0.000 0.203 14 D C 0.478 176.748 176.300 -0.051 0.000 0.969 14 D CA 1.061 55.031 54.000 -0.049 0.000 0.842 14 D CB 0.031 40.800 40.800 -0.052 0.000 0.957 14 D HN 0.340 nan 8.370 nan 0.000 0.484 15 K N 1.604 121.967 120.400 -0.061 0.000 2.222 15 K HA 0.110 4.430 4.320 -0.001 0.000 0.243 15 K C 1.304 177.870 176.600 -0.057 0.000 1.160 15 K CA -0.174 56.072 56.287 -0.070 0.000 1.090 15 K CB 1.123 33.561 32.500 -0.104 0.000 1.694 15 K HN -0.053 nan 8.250 nan 0.000 0.361 16 V N -1.272 118.618 119.914 -0.040 0.000 3.305 16 V HA -0.181 3.938 4.120 -0.001 0.000 0.269 16 V C 1.825 177.914 176.094 -0.009 0.000 1.157 16 V CA 1.774 64.058 62.300 -0.026 0.000 1.157 16 V CB -0.974 30.829 31.823 -0.034 0.000 0.772 16 V HN 0.594 nan 8.190 nan 0.000 0.498 17 T N -1.813 112.731 114.554 -0.016 0.000 3.023 17 T HA 0.011 4.361 4.350 -0.001 0.000 0.266 17 T C 1.092 175.818 174.700 0.043 0.000 1.093 17 T CA 1.263 63.370 62.100 0.012 0.000 1.129 17 T CB -0.619 68.249 68.868 0.000 0.000 0.899 17 T HN 0.521 nan 8.240 nan 0.000 0.491 18 N N 0.897 119.585 118.700 -0.021 0.000 2.451 18 N HA 0.423 5.163 4.740 -0.001 0.000 0.264 18 N C -1.162 174.405 175.510 0.094 0.000 1.167 18 N CA -0.149 52.872 53.050 -0.049 0.000 0.898 18 N CB 0.887 39.101 38.487 -0.454 0.000 1.176 18 N HN 0.255 nan 8.380 nan 0.000 0.507 19 V N 0.622 120.602 119.914 0.111 0.000 2.769 19 V HA 0.537 4.656 4.120 -0.001 0.000 0.312 19 V C -0.415 175.745 176.094 0.110 0.000 1.061 19 V CA -0.799 61.562 62.300 0.102 0.000 0.931 19 V CB 2.281 34.127 31.823 0.038 0.000 1.010 19 V HN 0.105 nan 8.190 nan 0.000 0.433 20 R N 3.168 123.729 120.500 0.101 0.000 2.483 20 R HA 0.448 4.787 4.340 -0.001 0.000 0.303 20 R C -1.308 175.024 176.300 0.054 0.000 0.987 20 R CA -0.582 55.560 56.100 0.072 0.000 0.881 20 R CB 1.625 31.963 30.300 0.063 0.000 1.177 20 R HN 0.614 nan 8.270 nan 0.000 0.451 21 N N 4.367 123.090 118.700 0.038 0.000 2.469 21 N HA 0.437 5.177 4.740 -0.001 0.000 0.253 21 N C -0.073 175.466 175.510 0.047 0.000 0.970 21 N CA -0.383 52.690 53.050 0.038 0.000 0.940 21 N CB 1.573 40.065 38.487 0.008 0.000 1.128 21 N HN 0.458 nan 8.380 nan 0.000 0.503 22 M N -0.650 118.982 119.600 0.054 0.000 3.223 22 M HA 0.686 5.166 4.480 -0.001 0.000 0.282 22 M C -0.556 175.775 176.300 0.052 0.000 1.346 22 M CA -0.956 54.373 55.300 0.049 0.000 0.789 22 M CB 1.360 33.979 32.600 0.032 0.000 1.724 22 M HN 0.241 nan 8.290 nan 0.000 0.447 23 S N -0.977 114.746 115.700 0.039 0.000 2.565 23 S HA 0.826 5.295 4.470 -0.001 0.000 0.269 23 S C -1.484 173.125 174.600 0.015 0.000 1.153 23 S CA -0.900 57.320 58.200 0.033 0.000 0.835 23 S CB 1.395 64.623 63.200 0.047 0.000 1.122 23 S HN 0.917 nan 8.310 nan 0.000 0.462 24 V N 2.281 122.198 119.914 0.005 0.000 2.406 24 V HA 0.449 4.569 4.120 -0.001 0.000 0.272 24 V C -0.198 175.897 176.094 0.002 0.000 1.043 24 V CA -0.452 61.845 62.300 -0.006 0.000 0.915 24 V CB 0.683 32.497 31.823 -0.015 0.000 0.988 24 V HN 0.805 nan 8.190 nan 0.000 0.466 25 I N 4.466 125.037 120.570 0.002 0.000 2.336 25 I HA 0.776 4.945 4.170 -0.001 0.000 0.292 25 I C 0.242 176.371 176.117 0.020 0.000 0.991 25 I CA -0.071 61.235 61.300 0.010 0.000 1.227 25 I CB 1.570 39.576 38.000 0.010 0.000 1.366 25 I HN 0.784 nan 8.210 nan 0.000 0.466 26 A N 5.130 127.969 122.820 0.031 0.000 2.608 26 A HA 0.380 4.700 4.320 -0.001 0.000 0.292 26 A C -1.286 176.336 177.584 0.063 0.000 1.066 26 A CA -0.601 51.476 52.037 0.067 0.000 0.676 26 A CB 1.087 20.129 19.000 0.069 0.000 1.277 26 A HN 0.834 nan 8.150 nan 0.000 0.413 27 H N 0.256 119.260 119.070 -0.109 0.000 2.581 27 H HA 0.522 5.078 4.556 -0.001 0.000 0.369 27 H C 0.047 175.212 175.328 -0.272 0.000 1.351 27 H CA -0.400 55.480 56.048 -0.279 0.000 1.434 27 H CB 0.796 30.189 29.762 -0.614 0.000 1.558 27 H HN 0.476 nan 8.280 nan 0.000 0.608 28 V N 2.635 122.680 119.914 0.219 0.000 2.740 28 V HA -0.109 4.010 4.120 -0.001 0.000 0.303 28 V C 0.551 176.498 176.094 -0.247 0.000 1.054 28 V CA 0.610 62.892 62.300 -0.031 0.000 1.106 28 V CB 0.848 32.693 31.823 0.037 0.000 0.957 28 V HN 1.072 nan 8.190 nan 0.000 0.486 29 D N 0.374 120.710 120.400 -0.107 0.000 3.006 29 D HA -0.238 4.401 4.640 -0.001 0.000 0.208 29 D C 1.070 177.384 176.300 0.024 0.000 1.116 29 D CA 1.802 55.764 54.000 -0.064 0.000 0.998 29 D CB -1.168 39.583 40.800 -0.082 0.000 1.124 29 D HN 0.946 nan 8.370 nan 0.000 0.413 30 H N -0.779 118.226 119.070 -0.108 0.000 2.559 30 H HA 0.203 4.759 4.556 -0.001 0.000 0.273 30 H C 1.895 177.178 175.328 -0.076 0.000 1.000 30 H CA 0.638 56.633 56.048 -0.088 0.000 1.195 30 H CB 0.348 30.076 29.762 -0.057 0.000 1.368 30 H HN 0.385 nan 8.280 nan 0.000 0.592 31 G N 0.956 109.781 108.800 0.043 0.000 2.175 31 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.182 31 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.182 31 G C 1.008 175.893 174.900 -0.024 0.000 1.003 31 G CA 0.282 45.372 45.100 -0.016 0.000 0.666 31 G HN 0.373 nan 8.290 nan 0.000 0.506 32 K N 0.975 121.371 120.400 -0.006 0.000 2.044 32 K HA -0.130 4.190 4.320 -0.001 0.000 0.210 32 K C 2.537 179.121 176.600 -0.027 0.000 1.049 32 K CA 2.306 58.584 56.287 -0.016 0.000 0.927 32 K CB -0.318 32.178 32.500 -0.006 0.000 0.713 32 K HN 0.354 nan 8.250 nan 0.000 0.443 33 S N 0.057 115.740 115.700 -0.028 0.000 2.356 33 S HA -0.163 4.307 4.470 -0.001 0.000 0.223 33 S C 2.098 176.678 174.600 -0.034 0.000 1.032 33 S CA 1.937 60.117 58.200 -0.032 0.000 1.005 33 S CB -0.662 62.517 63.200 -0.033 0.000 0.867 33 S HN 0.720 nan 8.310 nan 0.000 0.449 34 T N 1.167 115.699 114.554 -0.037 0.000 2.821 34 T HA 0.079 4.429 4.350 -0.001 0.000 0.267 34 T C 1.778 176.451 174.700 -0.045 0.000 1.046 34 T CA 0.756 62.832 62.100 -0.040 0.000 1.139 34 T CB -0.620 68.219 68.868 -0.049 0.000 0.871 34 T HN 0.254 nan 8.240 nan 0.000 0.454 35 L N 1.683 122.874 121.223 -0.053 0.000 2.046 35 L HA -0.059 4.281 4.340 -0.001 0.000 0.208 35 L C 3.382 180.226 176.870 -0.043 0.000 1.077 35 L CA 1.919 56.723 54.840 -0.060 0.000 0.747 35 L CB -1.117 40.900 42.059 -0.070 0.000 0.896 35 L HN 0.560 nan 8.230 nan 0.000 0.432 36 T N -3.839 110.694 114.554 -0.036 0.000 2.833 36 T HA -0.178 4.172 4.350 -0.001 0.000 0.269 36 T C 1.442 176.129 174.700 -0.021 0.000 1.054 36 T CA 1.333 63.417 62.100 -0.027 0.000 1.135 36 T CB -0.325 68.528 68.868 -0.025 0.000 0.869 36 T HN 0.274 nan 8.240 nan 0.000 0.466 37 D N 1.126 121.512 120.400 -0.023 0.000 2.144 37 D HA -0.052 4.588 4.640 -0.001 0.000 0.200 37 D C 2.365 178.659 176.300 -0.010 0.000 0.978 37 D CA 1.224 55.215 54.000 -0.016 0.000 0.833 37 D CB -0.496 40.295 40.800 -0.016 0.000 0.961 37 D HN 0.497 nan 8.370 nan 0.000 0.470 38 S N 0.436 116.127 115.700 -0.016 0.000 2.359 38 S HA -0.121 4.349 4.470 -0.001 0.000 0.224 38 S C 2.172 176.768 174.600 -0.008 0.000 1.035 38 S CA 0.723 58.917 58.200 -0.011 0.000 1.018 38 S CB -0.290 62.895 63.200 -0.024 0.000 0.876 38 S HN 0.168 nan 8.310 nan 0.000 0.448 39 L N 0.913 122.127 121.223 -0.014 0.000 2.017 39 L HA -0.070 4.270 4.340 -0.001 0.000 0.208 39 L C 2.533 179.404 176.870 0.002 0.000 1.073 39 L CA 1.125 55.959 54.840 -0.009 0.000 0.745 39 L CB -0.602 41.449 42.059 -0.013 0.000 0.894 39 L HN 0.238 nan 8.230 nan 0.000 0.432 40 V N -0.523 119.391 119.914 0.001 0.000 2.343 40 V HA -0.309 3.811 4.120 -0.001 0.000 0.247 40 V C 2.444 178.542 176.094 0.007 0.000 1.051 40 V CA 1.666 63.970 62.300 0.006 0.000 1.036 40 V CB -0.606 31.218 31.823 0.002 0.000 0.654 40 V HN 0.503 nan 8.190 nan 0.000 0.451 41 Q N -0.521 119.283 119.800 0.006 0.000 2.135 41 Q HA -0.239 4.100 4.340 -0.001 0.000 0.204 41 Q C 2.503 178.509 176.000 0.010 0.000 0.981 41 Q CA 1.794 57.602 55.803 0.008 0.000 0.856 41 Q CB -0.182 28.562 28.738 0.011 0.000 0.902 41 Q HN 0.537 nan 8.270 nan 0.000 0.425 42 R N -0.555 119.952 120.500 0.012 0.000 2.090 42 R HA 0.069 4.408 4.340 -0.001 0.000 0.219 42 R C 1.553 177.866 176.300 0.021 0.000 1.100 42 R CA 1.006 57.115 56.100 0.015 0.000 0.991 42 R CB 0.121 30.429 30.300 0.014 0.000 0.893 42 R HN 0.165 nan 8.270 nan 0.000 0.443 43 A N 0.242 123.077 122.820 0.024 0.000 2.288 43 A HA 0.295 4.614 4.320 -0.001 0.000 0.216 43 A C 0.847 178.462 177.584 0.051 0.000 1.199 43 A CA 0.250 52.316 52.037 0.048 0.000 0.891 43 A CB 0.183 19.209 19.000 0.045 0.000 0.923 43 A HN 0.379 nan 8.150 nan 0.000 0.500 44 G N 0.386 109.201 108.800 0.025 0.000 2.368 44 G HA2 0.330 4.289 3.960 -0.001 0.000 0.233 44 G HA3 0.330 4.289 3.960 -0.001 0.000 0.233 44 G C -0.116 174.777 174.900 -0.013 0.000 1.267 44 G CA 0.258 45.369 45.100 0.019 0.000 0.873 44 G HN 0.358 nan 8.290 nan 0.000 0.539 45 I N 1.401 121.969 120.570 -0.004 0.000 2.493 45 I HA 0.494 4.664 4.170 -0.001 0.000 0.298 45 I C 0.149 176.248 176.117 -0.030 0.000 0.998 45 I CA -0.631 60.626 61.300 -0.072 0.000 1.137 45 I CB 1.792 39.796 38.000 0.007 0.000 1.310 45 I HN 0.278 nan 8.210 nan 0.000 0.445 46 I N 2.029 122.553 120.570 -0.076 0.000 3.206 46 I HA 0.419 4.588 4.170 -0.001 0.000 0.313 46 I C -0.176 175.940 176.117 -0.001 0.000 1.103 46 I CA -0.733 60.561 61.300 -0.010 0.000 0.985 46 I CB 2.109 40.093 38.000 -0.026 0.000 1.240 46 I HN 0.416 nan 8.210 nan 0.000 0.464 47 S N 0.876 116.584 115.700 0.013 0.000 2.617 47 S HA 0.779 5.249 4.470 -0.001 0.000 0.283 47 S C -0.183 174.409 174.600 -0.014 0.000 1.189 47 S CA -0.557 57.654 58.200 0.018 0.000 1.036 47 S CB 1.711 64.920 63.200 0.015 0.000 1.014 47 S HN 0.685 nan 8.310 nan 0.000 0.522 68 I N 2.977 123.597 120.570 0.084 0.000 2.416 68 I HA 0.383 4.553 4.170 -0.001 0.000 0.288 68 I C 0.799 176.988 176.117 0.120 0.000 1.051 68 I CA -0.086 61.265 61.300 0.085 0.000 1.375 68 I CB 0.688 38.763 38.000 0.126 0.000 1.407 68 I HN 0.569 nan 8.210 nan 0.000 0.516 69 T N 5.602 120.177 114.554 0.034 0.000 2.908 69 T HA 0.878 5.228 4.350 -0.001 0.000 0.290 69 T C -0.260 174.356 174.700 -0.140 0.000 1.034 69 T CA -0.776 61.319 62.100 -0.010 0.000 1.010 69 T CB 2.507 71.364 68.868 -0.020 0.000 1.068 69 T HN 0.478 nan 8.240 nan 0.000 0.481 70 I N -2.122 118.329 120.570 -0.198 0.000 3.074 70 I HA 0.622 4.792 4.170 -0.001 0.000 0.310 70 I C -0.599 175.373 176.117 -0.242 0.000 1.153 70 I CA -1.585 59.569 61.300 -0.243 0.000 0.993 70 I CB 2.295 40.159 38.000 -0.226 0.000 1.237 70 I HN 0.569 nan 8.210 nan 0.000 0.443 71 K N 2.735 122.994 120.400 -0.235 0.000 2.363 71 K HA 0.149 4.468 4.320 -0.001 0.000 0.289 71 K C 0.186 176.658 176.600 -0.213 0.000 1.063 71 K CA 0.058 56.218 56.287 -0.212 0.000 0.967 71 K CB 0.531 32.914 32.500 -0.195 0.000 0.987 71 K HN 0.746 nan 8.250 nan 0.000 0.473 72 S N 3.196 118.767 115.700 -0.214 0.000 2.702 72 S HA -0.061 4.409 4.470 -0.001 0.000 0.314 72 S C 0.525 174.993 174.600 -0.220 0.000 1.244 72 S CA 0.362 58.438 58.200 -0.207 0.000 1.058 72 S CB 0.336 63.425 63.200 -0.185 0.000 0.783 72 S HN 0.741 nan 8.310 nan 0.000 0.503 73 T N 3.625 118.012 114.554 -0.279 0.000 2.980 73 T HA 0.562 4.912 4.350 -0.001 0.000 0.252 73 T C 0.098 174.586 174.700 -0.354 0.000 0.962 73 T CA 0.383 62.233 62.100 -0.415 0.000 0.932 73 T CB 0.563 68.951 68.868 -0.801 0.000 1.188 73 T HN 0.903 nan 8.240 nan 0.000 0.500 74 A N 0.933 123.619 122.820 -0.224 0.000 2.608 74 A HA 0.792 5.111 4.320 -0.001 0.000 0.292 74 A C -1.990 175.592 177.584 -0.005 0.000 1.066 74 A CA -0.856 51.145 52.037 -0.061 0.000 0.676 74 A CB 0.952 19.995 19.000 0.072 0.000 1.277 74 A HN 0.263 nan 8.150 nan 0.000 0.413 75 I N 0.093 120.681 120.570 0.030 0.000 2.785 75 I HA 0.559 4.729 4.170 -0.001 0.000 0.302 75 I C 0.009 176.171 176.117 0.074 0.000 1.069 75 I CA -0.779 60.546 61.300 0.042 0.000 1.045 75 I CB 2.445 40.458 38.000 0.022 0.000 1.236 75 I HN 0.437 nan 8.210 nan 0.000 0.429 76 S N 4.206 119.958 115.700 0.087 0.000 2.462 76 S HA 0.675 5.144 4.470 -0.001 0.000 0.294 76 S C -0.690 173.979 174.600 0.115 0.000 1.144 76 S CA -0.461 57.807 58.200 0.114 0.000 1.088 76 S CB 1.065 64.346 63.200 0.136 0.000 1.009 76 S HN 0.214 nan 8.310 nan 0.000 0.484 77 L N 3.367 124.671 121.223 0.135 0.000 2.346 77 L HA 0.530 4.869 4.340 -0.001 0.000 0.276 77 L C -0.890 176.121 176.870 0.235 0.000 1.006 77 L CA -0.644 54.279 54.840 0.139 0.000 0.817 77 L CB 1.220 43.330 42.059 0.086 0.000 1.272 77 L HN 0.700 nan 8.230 nan 0.000 0.421 78 Y N 2.300 122.662 120.300 0.105 0.000 2.364 78 Y HA 0.699 5.249 4.550 -0.001 0.000 0.340 78 Y C -0.467 175.518 175.900 0.143 0.000 0.975 78 Y CA -0.475 57.730 58.100 0.175 0.000 1.089 78 Y CB 1.879 40.489 38.460 0.251 0.000 1.192 78 Y HN 0.557 nan 8.280 nan 0.000 0.454 79 S N 5.739 121.145 115.700 -0.489 0.000 2.619 79 S HA 0.411 4.881 4.470 -0.001 0.000 0.280 79 S C -1.800 172.569 174.600 -0.384 0.000 1.150 79 S CA -0.817 57.149 58.200 -0.390 0.000 0.978 79 S CB 0.585 63.703 63.200 -0.138 0.000 1.041 79 S HN 0.758 nan 8.310 nan 0.000 0.485 80 E N 5.448 125.449 120.200 -0.333 0.000 2.151 80 E HA 0.524 4.874 4.350 -0.001 0.000 0.275 80 E C -0.402 176.204 176.600 0.010 0.000 0.936 80 E CA -1.018 55.325 56.400 -0.096 0.000 0.777 80 E CB 1.087 30.753 29.700 -0.056 0.000 1.108 80 E HN 0.407 nan 8.360 nan 0.000 0.401 81 M N 1.471 121.139 119.600 0.114 0.000 2.494 81 M HA 0.318 4.798 4.480 -0.001 0.000 0.300 81 M C 0.076 176.414 176.300 0.063 0.000 1.189 81 M CA -0.829 54.507 55.300 0.059 0.000 0.982 81 M CB 1.564 34.189 32.600 0.043 0.000 1.534 81 M HN 0.496 nan 8.290 nan 0.000 0.488 82 S N 1.062 116.778 115.700 0.027 0.000 2.580 82 S HA 0.091 4.560 4.470 -0.001 0.000 0.274 82 S C 0.810 175.429 174.600 0.031 0.000 1.329 82 S CA -0.757 57.456 58.200 0.022 0.000 1.036 82 S CB 0.487 63.688 63.200 0.002 0.000 0.919 82 S HN 0.532 nan 8.310 nan 0.000 0.515 83 D N 1.694 122.109 120.400 0.026 0.000 2.203 83 D HA -0.211 4.428 4.640 -0.001 0.000 0.199 83 D C 1.519 177.831 176.300 0.019 0.000 0.997 83 D CA 1.273 55.288 54.000 0.024 0.000 0.863 83 D CB 0.000 40.809 40.800 0.016 0.000 0.928 83 D HN 0.761 nan 8.370 nan 0.000 0.458 84 E N 0.790 120.995 120.200 0.009 0.000 2.005 84 E HA -0.159 4.191 4.350 -0.001 0.000 0.191 84 E C 1.569 178.168 176.600 -0.002 0.000 0.987 84 E CA 0.947 57.348 56.400 0.002 0.000 0.814 84 E CB 0.203 29.899 29.700 -0.005 0.000 0.772 84 E HN -0.001 nan 8.360 nan 0.000 0.453 85 D N 0.330 120.725 120.400 -0.009 0.000 2.172 85 D HA -0.166 4.474 4.640 -0.001 0.000 0.196 85 D C 1.987 178.275 176.300 -0.019 0.000 0.999 85 D CA 0.938 54.923 54.000 -0.025 0.000 0.856 85 D CB -0.249 40.527 40.800 -0.040 0.000 0.934 85 D HN 0.117 nan 8.370 nan 0.000 0.453 86 V N 0.958 120.885 119.914 0.021 0.000 2.982 86 V HA -0.175 3.945 4.120 -0.001 0.000 0.265 86 V C 2.067 178.184 176.094 0.039 0.000 1.122 86 V CA 1.253 63.593 62.300 0.068 0.000 1.143 86 V CB -0.304 31.587 31.823 0.113 0.000 0.726 86 V HN 0.129 nan 8.190 nan 0.000 0.507 87 K N -0.469 119.938 120.400 0.013 0.000 2.379 87 K HA 0.090 4.410 4.320 -0.001 0.000 0.194 87 K C 1.789 178.382 176.600 -0.011 0.000 1.031 87 K CA 0.223 56.513 56.287 0.005 0.000 1.037 87 K CB 0.141 32.643 32.500 0.004 0.000 0.824 87 K HN 0.445 nan 8.250 nan 0.000 0.516 88 E N 0.702 120.885 120.200 -0.029 0.000 2.358 88 E HA 0.016 4.366 4.350 -0.001 0.000 0.195 88 E C 0.566 177.115 176.600 -0.086 0.000 1.010 88 E CA 0.223 56.592 56.400 -0.051 0.000 0.856 88 E CB 0.091 29.753 29.700 -0.064 0.000 0.795 88 E HN 0.294 nan 8.360 nan 0.000 0.504 89 I N 2.735 123.259 120.570 -0.076 0.000 2.471 89 I HA -0.025 4.144 4.170 -0.001 0.000 0.294 89 I C 0.958 177.050 176.117 -0.042 0.000 1.123 89 I CA -0.196 61.053 61.300 -0.086 0.000 1.336 89 I CB 0.100 38.081 38.000 -0.031 0.000 1.430 89 I HN -0.345 nan 8.210 nan 0.000 0.533 90 K N 7.569 127.936 120.400 -0.054 0.000 3.245 90 K HA 0.051 4.370 4.320 -0.001 0.000 0.285 90 K C -0.388 176.214 176.600 0.003 0.000 1.156 90 K CA 0.115 56.393 56.287 -0.016 0.000 1.162 90 K CB -0.435 32.060 32.500 -0.009 0.000 1.365 90 K HN 0.729 nan 8.250 nan 0.000 0.316 91 Q N -0.691 119.117 119.800 0.013 0.000 2.545 91 Q HA 0.204 4.544 4.340 -0.001 0.000 0.273 91 Q C -1.273 174.751 176.000 0.040 0.000 0.975 91 Q CA -1.311 54.511 55.803 0.032 0.000 0.876 91 Q CB 0.398 29.161 28.738 0.042 0.000 1.472 91 Q HN -0.026 nan 8.270 nan 0.000 0.389 92 K N 1.382 121.804 120.400 0.037 0.000 2.476 92 K HA 0.053 4.373 4.320 -0.001 0.000 0.273 92 K C -1.173 175.451 176.600 0.040 0.000 1.056 92 K CA 1.272 57.578 56.287 0.030 0.000 1.150 92 K CB 0.080 32.594 32.500 0.023 0.000 0.838 92 K HN 0.669 nan 8.250 nan 0.000 0.486 93 T N 3.954 118.528 114.554 0.034 0.000 2.906 93 T HA 0.379 4.728 4.350 -0.001 0.000 0.295 93 T C -1.407 173.281 174.700 -0.019 0.000 1.075 93 T CA -0.747 61.373 62.100 0.033 0.000 1.005 93 T CB 1.359 70.280 68.868 0.088 0.000 1.136 93 T HN 0.607 nan 8.240 nan 0.000 0.498 94 D N 0.230 120.582 120.400 -0.079 0.000 2.411 94 D HA 0.512 5.152 4.640 -0.001 0.000 0.239 94 D C 0.114 176.325 176.300 -0.147 0.000 1.307 94 D CA 0.494 54.439 54.000 -0.090 0.000 0.930 94 D CB -0.034 40.720 40.800 -0.077 0.000 1.395 94 D HN 1.037 nan 8.370 nan 0.000 0.536 95 G N 2.346 111.071 108.800 -0.124 0.000 2.422 95 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.607 95 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.607 95 G C 0.047 174.849 174.900 -0.163 0.000 1.270 95 G CA -0.564 44.453 45.100 -0.140 0.000 0.992 95 G HN 0.284 nan 8.290 nan 0.000 0.499 96 N N -0.358 118.268 118.700 -0.123 0.000 2.184 96 N HA 0.241 4.981 4.740 -0.001 0.000 0.206 96 N C 0.493 175.963 175.510 -0.066 0.000 1.151 96 N CA 0.602 53.640 53.050 -0.020 0.000 0.878 96 N CB 0.895 39.409 38.487 0.044 0.000 1.014 96 N HN 0.464 nan 8.380 nan 0.000 0.512 97 S N 0.308 115.854 115.700 -0.257 0.000 2.578 97 S HA 0.599 5.069 4.470 -0.001 0.000 0.283 97 S C -0.662 173.602 174.600 -0.560 0.000 1.195 97 S CA -0.290 57.801 58.200 -0.182 0.000 1.050 97 S CB 0.883 64.154 63.200 0.119 0.000 1.012 97 S HN 0.028 nan 8.310 nan 0.000 0.511 98 F N 1.408 121.330 119.950 -0.048 0.000 2.578 98 F HA 0.509 5.035 4.527 -0.001 0.000 0.311 98 F C -0.700 175.149 175.800 0.083 0.000 1.094 98 F CA -0.978 57.021 58.000 -0.002 0.000 0.923 98 F CB 1.410 40.378 39.000 -0.053 0.000 1.230 98 F HN 0.284 nan 8.300 nan 0.000 0.450 99 L N 4.880 126.256 121.223 0.254 0.000 2.298 99 L HA 0.654 4.994 4.340 -0.001 0.000 0.284 99 L C -1.068 175.912 176.870 0.183 0.000 1.013 99 L CA -0.560 54.421 54.840 0.234 0.000 0.824 99 L CB 0.642 42.800 42.059 0.165 0.000 1.221 99 L HN 0.478 nan 8.230 nan 0.000 0.418 100 I N 5.012 125.681 120.570 0.165 0.000 2.441 100 I HA 0.400 4.570 4.170 -0.001 0.000 0.295 100 I C -0.425 175.754 176.117 0.103 0.000 0.994 100 I CA -0.636 60.732 61.300 0.113 0.000 1.144 100 I CB 1.559 39.608 38.000 0.081 0.000 1.314 100 I HN 0.552 nan 8.210 nan 0.000 0.445 101 N N 6.245 124.997 118.700 0.086 0.000 2.476 101 N HA 0.262 5.001 4.740 -0.001 0.000 0.257 101 N C -1.088 174.470 175.510 0.081 0.000 0.970 101 N CA -0.567 52.538 53.050 0.091 0.000 0.938 101 N CB 2.360 40.904 38.487 0.095 0.000 1.144 101 N HN 0.311 nan 8.380 nan 0.000 0.500 102 L N 5.213 126.479 121.223 0.071 0.000 2.302 102 L HA 0.379 4.719 4.340 -0.001 0.000 0.285 102 L C -0.324 176.581 176.870 0.058 0.000 1.090 102 L CA -0.503 54.368 54.840 0.052 0.000 0.866 102 L CB -0.373 41.704 42.059 0.030 0.000 1.244 102 L HN 0.353 nan 8.230 nan 0.000 0.435 103 I N 2.951 123.570 120.570 0.082 0.000 2.779 103 I HA 0.128 4.297 4.170 -0.001 0.000 0.285 103 I C 0.175 176.316 176.117 0.039 0.000 1.134 103 I CA -0.075 61.283 61.300 0.098 0.000 1.398 103 I CB 1.087 39.186 38.000 0.165 0.000 1.404 103 I HN 0.569 nan 8.210 nan 0.000 0.587 104 D N 2.828 123.226 120.400 -0.004 0.000 2.481 104 D HA 0.378 5.017 4.640 -0.001 0.000 0.246 104 D C -1.000 175.284 176.300 -0.027 0.000 1.109 104 D CA -0.267 53.716 54.000 -0.029 0.000 0.845 104 D CB 1.120 41.879 40.800 -0.069 0.000 1.160 104 D HN 0.339 nan 8.370 nan 0.000 0.534 105 S N 4.335 120.031 115.700 -0.006 0.000 2.327 105 S HA 0.254 4.723 4.470 -0.001 0.000 0.203 105 S C -1.960 172.633 174.600 -0.011 0.000 1.326 105 S CA -0.668 57.534 58.200 0.004 0.000 1.248 105 S CB 0.972 64.198 63.200 0.043 0.000 1.199 105 S HN 0.524 nan 8.310 nan 0.000 0.422 106 P HA 0.194 nan 4.420 nan 0.000 0.249 106 P C 0.785 178.030 177.300 -0.092 0.000 1.229 106 P CA 0.172 63.239 63.100 -0.056 0.000 0.788 106 P CB 0.068 31.729 31.700 -0.065 0.000 1.072 107 G N 0.134 108.872 108.800 -0.103 0.000 2.395 107 G HA2 0.161 4.120 3.960 -0.001 0.000 0.283 107 G HA3 0.161 4.120 3.960 -0.001 0.000 0.283 107 G C -0.461 174.354 174.900 -0.140 0.000 1.178 107 G CA -0.229 44.752 45.100 -0.198 0.000 0.837 107 G HN 0.226 nan 8.290 nan 0.000 0.518 108 H N 0.718 119.722 119.070 -0.109 0.000 2.262 108 H HA -0.147 4.408 4.556 -0.001 0.000 0.303 108 H C 1.653 177.005 175.328 0.040 0.000 0.860 108 H CA 0.517 56.516 56.048 -0.082 0.000 1.000 108 H CB -0.887 28.673 29.762 -0.337 0.000 1.584 108 H HN 0.264 nan 8.280 nan 0.000 0.304 109 V N 2.083 122.059 119.914 0.104 0.000 2.370 109 V HA -0.294 3.825 4.120 -0.001 0.000 0.252 109 V C 2.100 178.262 176.094 0.112 0.000 1.068 109 V CA 2.458 64.804 62.300 0.077 0.000 1.061 109 V CB -0.020 31.813 31.823 0.016 0.000 0.656 109 V HN 0.600 nan 8.190 nan 0.000 0.455 110 D N -0.623 119.877 120.400 0.166 0.000 2.078 110 D HA -0.113 4.527 4.640 -0.001 0.000 0.193 110 D C 0.814 177.200 176.300 0.144 0.000 0.990 110 D CA 0.787 54.865 54.000 0.130 0.000 0.827 110 D CB -0.361 40.519 40.800 0.133 0.000 0.975 110 D HN 0.400 nan 8.370 nan 0.000 0.451 111 F N 1.895 121.846 119.950 0.001 0.000 2.315 111 F HA -0.095 4.432 4.527 -0.001 0.000 0.315 111 F C 1.923 177.728 175.800 0.009 0.000 1.173 111 F CA 0.086 58.080 58.000 -0.010 0.000 0.873 111 F CB -0.501 38.503 39.000 0.007 0.000 0.994 111 F HN -0.204 nan 8.300 nan 0.000 0.562 112 S N 0.918 116.651 115.700 0.056 0.000 2.368 112 S HA -0.200 4.270 4.470 -0.001 0.000 0.225 112 S C 2.287 176.939 174.600 0.086 0.000 1.030 112 S CA 1.359 59.590 58.200 0.053 0.000 0.999 112 S CB -0.177 63.024 63.200 0.001 0.000 0.844 112 S HN 0.747 nan 8.310 nan 0.000 0.459 113 S N 2.411 118.160 115.700 0.083 0.000 2.354 113 S HA -0.172 4.298 4.470 -0.001 0.000 0.219 113 S C 1.719 176.418 174.600 0.166 0.000 1.035 113 S CA 1.078 59.352 58.200 0.123 0.000 1.037 113 S CB -0.807 62.462 63.200 0.115 0.000 0.956 113 S HN 0.438 nan 8.310 nan 0.000 0.428 114 E N 1.228 121.554 120.200 0.209 0.000 2.086 114 E HA -0.136 4.214 4.350 -0.001 0.000 0.200 114 E C 2.380 179.079 176.600 0.163 0.000 1.012 114 E CA 1.389 57.909 56.400 0.200 0.000 0.812 114 E CB -0.917 28.921 29.700 0.230 0.000 0.743 114 E HN 0.476 nan 8.360 nan 0.000 0.453 115 V N 0.973 120.980 119.914 0.155 0.000 2.229 115 V HA -0.238 3.881 4.120 -0.001 0.000 0.243 115 V C 2.648 178.815 176.094 0.122 0.000 1.042 115 V CA 2.212 64.585 62.300 0.122 0.000 1.000 115 V CB -0.981 30.902 31.823 0.102 0.000 0.637 115 V HN 0.353 nan 8.190 nan 0.000 0.446 116 T N -0.092 114.529 114.554 0.113 0.000 2.649 116 T HA -0.322 4.028 4.350 -0.001 0.000 0.268 116 T C 1.881 176.669 174.700 0.147 0.000 1.036 116 T CA 2.380 64.546 62.100 0.108 0.000 1.157 116 T CB -0.389 68.533 68.868 0.091 0.000 0.861 116 T HN 0.556 nan 8.240 nan 0.000 0.445 117 A N 0.855 123.786 122.820 0.185 0.000 1.908 117 A HA 0.146 4.466 4.320 -0.001 0.000 0.218 117 A C 2.734 180.499 177.584 0.302 0.000 1.181 117 A CA 2.319 54.518 52.037 0.271 0.000 0.627 117 A CB -1.317 17.840 19.000 0.262 0.000 0.818 117 A HN 0.728 nan 8.150 nan 0.000 0.445 118 A N -0.506 122.451 122.820 0.227 0.000 1.898 118 A HA 0.056 4.375 4.320 -0.001 0.000 0.216 118 A C 2.105 179.817 177.584 0.212 0.000 1.181 118 A CA 1.312 53.486 52.037 0.227 0.000 0.620 118 A CB -0.522 18.577 19.000 0.166 0.000 0.819 118 A HN 0.457 nan 8.150 nan 0.000 0.442 119 L N -1.003 120.317 121.223 0.162 0.000 2.275 119 L HA -0.111 4.229 4.340 -0.001 0.000 0.215 119 L C 2.647 179.602 176.870 0.141 0.000 1.119 119 L CA 1.223 56.142 54.840 0.132 0.000 0.790 119 L CB -0.445 41.672 42.059 0.096 0.000 0.919 119 L HN 0.476 nan 8.230 nan 0.000 0.443 120 R N 0.612 121.210 120.500 0.163 0.000 2.159 120 R HA -0.142 4.198 4.340 -0.001 0.000 0.237 120 R C 1.906 178.319 176.300 0.190 0.000 1.131 120 R CA 1.523 57.699 56.100 0.127 0.000 0.982 120 R CB -0.044 30.295 30.300 0.065 0.000 0.868 120 R HN 0.399 nan 8.270 nan 0.000 0.453 121 V N -1.404 118.665 119.914 0.259 0.000 3.623 121 V HA 0.142 4.261 4.120 -0.001 0.000 0.271 121 V C 0.460 176.630 176.094 0.127 0.000 1.248 121 V CA 0.430 62.875 62.300 0.241 0.000 1.156 121 V CB -0.428 31.530 31.823 0.225 0.000 0.870 121 V HN 0.300 nan 8.190 nan 0.000 0.453 122 T N -3.284 111.345 114.554 0.126 0.000 2.940 122 T HA 0.530 4.879 4.350 -0.001 0.000 0.288 122 T C 0.081 174.827 174.700 0.078 0.000 1.033 122 T CA -0.225 61.927 62.100 0.087 0.000 1.033 122 T CB 2.185 71.107 68.868 0.090 0.000 1.079 122 T HN 0.242 nan 8.240 nan 0.000 0.496 123 D N 0.345 120.782 120.400 0.062 0.000 2.454 123 D HA 0.247 4.886 4.640 -0.001 0.000 0.214 123 D C 0.865 177.217 176.300 0.086 0.000 1.088 123 D CA 0.151 54.194 54.000 0.071 0.000 0.855 123 D CB 0.825 41.654 40.800 0.049 0.000 1.025 123 D HN 0.814 nan 8.370 nan 0.000 0.502 124 G N 0.047 108.886 108.800 0.065 0.000 2.619 124 G HA2 0.639 4.598 3.960 -0.001 0.000 0.296 124 G HA3 0.639 4.598 3.960 -0.001 0.000 0.296 124 G C -1.605 173.318 174.900 0.037 0.000 1.334 124 G CA -0.512 44.620 45.100 0.053 0.000 0.934 124 G HN 0.119 nan 8.290 nan 0.000 0.476 125 A N 0.157 122.989 122.820 0.020 0.000 2.414 125 A HA 0.687 5.007 4.320 -0.001 0.000 0.306 125 A C -1.341 176.232 177.584 -0.019 0.000 1.054 125 A CA -0.645 51.397 52.037 0.007 0.000 0.724 125 A CB 1.931 20.938 19.000 0.012 0.000 1.267 125 A HN 1.385 nan 8.150 nan 0.000 0.418 126 L N 3.524 124.731 121.223 -0.026 0.000 2.287 126 L HA 0.502 4.841 4.340 -0.001 0.000 0.280 126 L C -0.738 176.100 176.870 -0.053 0.000 1.055 126 L CA -0.153 54.654 54.840 -0.054 0.000 0.863 126 L CB 0.657 42.682 42.059 -0.056 0.000 1.245 126 L HN 0.386 nan 8.230 nan 0.000 0.432 127 V N 6.009 125.886 119.914 -0.062 0.000 2.439 127 V HA 0.193 4.312 4.120 -0.001 0.000 0.271 127 V C 0.319 176.376 176.094 -0.062 0.000 1.040 127 V CA -0.277 61.995 62.300 -0.047 0.000 1.002 127 V CB 1.080 32.875 31.823 -0.047 0.000 1.000 127 V HN 0.479 nan 8.190 nan 0.000 0.477 128 V N 6.357 126.256 119.914 -0.024 0.000 2.481 128 V HA 0.541 4.661 4.120 -0.001 0.000 0.286 128 V C -0.047 176.061 176.094 0.023 0.000 1.042 128 V CA -0.359 61.922 62.300 -0.030 0.000 0.928 128 V CB 1.813 33.632 31.823 -0.008 0.000 0.986 128 V HN 0.596 nan 8.190 nan 0.000 0.462 129 V N 3.102 122.977 119.914 -0.065 0.000 2.733 129 V HA 0.312 4.431 4.120 -0.001 0.000 0.306 129 V C -0.577 175.346 176.094 -0.284 0.000 1.084 129 V CA -0.830 61.407 62.300 -0.106 0.000 0.905 129 V CB 2.156 33.949 31.823 -0.050 0.000 1.010 129 V HN 0.978 nan 8.190 nan 0.000 0.424 130 D N 2.638 122.637 120.400 -0.668 0.000 2.414 130 D HA 0.194 4.834 4.640 -0.001 0.000 0.242 130 D C 1.263 177.459 176.300 -0.173 0.000 1.129 130 D CA 0.477 54.174 54.000 -0.505 0.000 0.885 130 D CB 1.702 42.063 40.800 -0.732 0.000 1.198 130 D HN 0.608 nan 8.370 nan 0.000 0.437 131 T N 3.613 118.145 114.554 -0.037 0.000 2.674 131 T HA -0.114 4.236 4.350 -0.001 0.000 0.265 131 T C 1.817 176.559 174.700 0.070 0.000 1.039 131 T CA 0.656 62.827 62.100 0.119 0.000 1.150 131 T CB -0.069 68.926 68.868 0.212 0.000 0.864 131 T HN 0.413 nan 8.240 nan 0.000 0.427 132 I N 1.689 122.274 120.570 0.025 0.000 2.094 132 I HA -0.079 4.091 4.170 -0.001 0.000 0.234 132 I C 2.267 178.400 176.117 0.027 0.000 1.063 132 I CA 1.576 62.891 61.300 0.025 0.000 1.328 132 I CB -1.375 36.637 38.000 0.020 0.000 1.058 132 I HN 0.356 nan 8.210 nan 0.000 0.400 133 E N 0.805 121.014 120.200 0.015 0.000 2.516 133 E HA 0.115 4.464 4.350 -0.001 0.000 0.199 133 E C 1.361 178.005 176.600 0.073 0.000 1.069 133 E CA 0.386 56.821 56.400 0.059 0.000 0.876 133 E CB -0.198 29.571 29.700 0.116 0.000 0.843 133 E HN 0.595 nan 8.360 nan 0.000 0.530 134 G N 1.302 110.119 108.800 0.028 0.000 2.549 134 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.338 134 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.338 134 G C 0.257 175.216 174.900 0.099 0.000 1.342 134 G CA 0.035 45.165 45.100 0.049 0.000 0.935 134 G HN 0.167 nan 8.290 nan 0.000 0.534 135 V N 0.988 120.960 119.914 0.097 0.000 2.521 135 V HA 0.405 4.524 4.120 -0.001 0.000 0.286 135 V C 1.368 177.541 176.094 0.131 0.000 1.034 135 V CA 0.167 62.536 62.300 0.115 0.000 1.045 135 V CB -0.612 31.256 31.823 0.076 0.000 0.974 135 V HN 1.353 nan 8.190 nan 0.000 0.480 136 C N 3.947 123.346 119.300 0.166 0.000 3.205 136 C HA 0.773 5.232 4.460 -0.001 0.000 0.372 136 C C 1.786 176.805 174.990 0.049 0.000 1.892 136 C CA 0.094 59.193 59.018 0.135 0.000 1.516 136 C CB 0.928 28.806 27.740 0.230 0.000 2.371 136 C HN 0.686 nan 8.230 nan 0.000 0.468 137 V N -0.345 119.566 119.914 -0.005 0.000 2.229 137 V HA -0.200 3.920 4.120 -0.001 0.000 0.243 137 V C 2.398 178.395 176.094 -0.162 0.000 1.042 137 V CA 2.449 64.708 62.300 -0.069 0.000 1.000 137 V CB -1.714 30.071 31.823 -0.064 0.000 0.637 137 V HN 0.991 nan 8.190 nan 0.000 0.446 138 Q N 0.076 119.650 119.800 -0.375 0.000 2.197 138 Q HA -0.207 4.133 4.340 -0.001 0.000 0.207 138 Q C 2.262 178.102 176.000 -0.267 0.000 0.984 138 Q CA 2.540 58.071 55.803 -0.454 0.000 0.869 138 Q CB -0.345 27.800 28.738 -0.989 0.000 0.906 138 Q HN 0.821 nan 8.270 nan 0.000 0.426 139 T N 1.047 115.491 114.554 -0.184 0.000 2.614 139 T HA -0.227 4.123 4.350 -0.001 0.000 0.263 139 T C 1.461 176.154 174.700 -0.012 0.000 1.055 139 T CA 1.750 63.840 62.100 -0.017 0.000 1.162 139 T CB -0.364 68.566 68.868 0.102 0.000 0.863 139 T HN 0.645 nan 8.240 nan 0.000 0.414 140 E N 0.665 120.862 120.200 -0.004 0.000 2.338 140 E HA -0.107 4.242 4.350 -0.001 0.000 0.197 140 E C 1.735 178.319 176.600 -0.027 0.000 1.007 140 E CA 1.186 57.590 56.400 0.006 0.000 0.849 140 E CB -0.445 29.275 29.700 0.033 0.000 0.774 140 E HN 0.334 nan 8.360 nan 0.000 0.506 141 T N 0.608 115.130 114.554 -0.053 0.000 2.857 141 T HA -0.049 4.301 4.350 -0.001 0.000 0.266 141 T C 1.896 176.564 174.700 -0.053 0.000 1.048 141 T CA 1.210 63.270 62.100 -0.067 0.000 1.139 141 T CB 0.063 68.886 68.868 -0.075 0.000 0.874 141 T HN 0.091 nan 8.240 nan 0.000 0.455 142 V N 1.342 121.233 119.914 -0.039 0.000 2.649 142 V HA 0.033 4.152 4.120 -0.001 0.000 0.248 142 V C 2.286 178.374 176.094 -0.010 0.000 1.054 142 V CA 0.717 63.006 62.300 -0.019 0.000 1.073 142 V CB -0.571 31.246 31.823 -0.011 0.000 0.699 142 V HN 0.300 nan 8.190 nan 0.000 0.463 143 L N 0.415 121.633 121.223 -0.008 0.000 2.093 143 L HA -0.062 4.278 4.340 -0.001 0.000 0.208 143 L C 2.454 179.324 176.870 -0.001 0.000 1.085 143 L CA 1.883 56.724 54.840 0.003 0.000 0.755 143 L CB -0.697 41.370 42.059 0.012 0.000 0.904 143 L HN 0.125 nan 8.230 nan 0.000 0.435 144 R N -1.220 119.261 120.500 -0.032 0.000 2.115 144 R HA -0.096 4.244 4.340 -0.001 0.000 0.226 144 R C 2.248 178.505 176.300 -0.072 0.000 1.100 144 R CA 1.304 57.352 56.100 -0.087 0.000 0.980 144 R CB -0.078 30.086 30.300 -0.227 0.000 0.875 144 R HN 0.566 nan 8.270 nan 0.000 0.445 145 Q N -0.346 119.426 119.800 -0.046 0.000 2.046 145 Q HA -0.117 4.222 4.340 -0.001 0.000 0.200 145 Q C 2.160 178.164 176.000 0.006 0.000 0.975 145 Q CA 1.584 57.375 55.803 -0.020 0.000 0.836 145 Q CB -0.112 28.624 28.738 -0.003 0.000 0.896 145 Q HN 0.318 nan 8.270 nan 0.000 0.428 146 A N 1.248 124.076 122.820 0.014 0.000 1.851 146 A HA -0.205 4.115 4.320 -0.001 0.000 0.216 146 A C 2.120 179.727 177.584 0.038 0.000 1.195 146 A CA 1.363 53.419 52.037 0.032 0.000 0.622 146 A CB -1.002 18.016 19.000 0.029 0.000 0.831 146 A HN 0.315 nan 8.150 nan 0.000 0.444 147 L N -0.480 120.762 121.223 0.033 0.000 2.089 147 L HA -0.245 4.095 4.340 -0.001 0.000 0.213 147 L C 2.804 179.702 176.870 0.047 0.000 1.079 147 L CA 1.217 56.084 54.840 0.046 0.000 0.758 147 L CB -1.059 41.034 42.059 0.058 0.000 0.891 147 L HN 0.542 nan 8.230 nan 0.000 0.433 148 G N -0.409 108.407 108.800 0.026 0.000 2.505 148 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.220 148 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.220 148 G C 1.276 176.199 174.900 0.039 0.000 1.145 148 G CA 0.644 45.758 45.100 0.023 0.000 0.761 148 G HN 0.342 nan 8.290 nan 0.000 0.571 149 E N 0.238 120.465 120.200 0.046 0.000 2.403 149 E HA 0.112 4.462 4.350 -0.001 0.000 0.188 149 E C 0.414 177.062 176.600 0.080 0.000 1.056 149 E CA -0.309 56.121 56.400 0.052 0.000 0.892 149 E CB 0.220 29.951 29.700 0.052 0.000 1.049 149 E HN 0.120 nan 8.360 nan 0.000 0.465 150 R N -0.289 120.269 120.500 0.097 0.000 3.422 150 R HA -0.166 4.174 4.340 -0.001 0.000 0.267 150 R C -0.344 176.074 176.300 0.195 0.000 1.074 150 R CA 0.380 56.574 56.100 0.157 0.000 0.718 150 R CB -3.154 27.279 30.300 0.223 0.000 1.157 150 R HN 0.275 nan 8.270 nan 0.000 0.440 151 I N 0.200 120.845 120.570 0.125 0.000 2.392 151 I HA 0.245 4.415 4.170 -0.001 0.000 0.295 151 I C 0.956 177.124 176.117 0.085 0.000 0.985 151 I CA -0.738 60.632 61.300 0.115 0.000 1.221 151 I CB 1.633 39.682 38.000 0.081 0.000 1.366 151 I HN -0.013 nan 8.210 nan 0.000 0.467 152 K N 7.945 128.398 120.400 0.088 0.000 2.205 152 K HA 0.481 4.801 4.320 -0.001 0.000 0.279 152 K C -2.571 174.039 176.600 0.015 0.000 1.027 152 K CA -1.397 54.914 56.287 0.041 0.000 0.932 152 K CB 1.365 33.894 32.500 0.048 0.000 1.032 152 K HN 0.266 nan 8.250 nan 0.000 0.466 153 P HA 0.323 nan 4.420 nan 0.000 0.287 153 P C -1.347 175.906 177.300 -0.079 0.000 1.290 153 P CA -0.683 62.393 63.100 -0.041 0.000 0.889 153 P CB 1.757 33.429 31.700 -0.045 0.000 1.190 154 V N -1.714 118.140 119.914 -0.100 0.000 3.012 154 V HA 0.557 4.676 4.120 -0.001 0.000 0.307 154 V C -0.272 175.719 176.094 -0.171 0.000 1.166 154 V CA -0.919 61.289 62.300 -0.154 0.000 0.974 154 V CB 1.687 33.426 31.823 -0.139 0.000 1.040 154 V HN 0.265 nan 8.190 nan 0.000 0.428 155 V N 2.337 122.108 119.914 -0.238 0.000 2.881 155 V HA 0.775 4.894 4.120 -0.001 0.000 0.316 155 V C -0.523 175.365 176.094 -0.343 0.000 1.070 155 V CA -0.676 61.472 62.300 -0.253 0.000 0.976 155 V CB 2.204 33.874 31.823 -0.254 0.000 1.038 155 V HN 0.760 nan 8.190 nan 0.000 0.446 156 V N 4.066 123.795 119.914 -0.309 0.000 2.509 156 V HA 0.405 4.524 4.120 -0.001 0.000 0.289 156 V C -0.407 175.496 176.094 -0.319 0.000 1.026 156 V CA -0.260 61.818 62.300 -0.369 0.000 0.872 156 V CB 1.555 33.212 31.823 -0.276 0.000 1.017 156 V HN 0.679 nan 8.190 nan 0.000 0.436 157 I N 4.548 124.881 120.570 -0.395 0.000 2.406 157 I HA 0.226 4.396 4.170 -0.001 0.000 0.293 157 I C 0.438 176.440 176.117 -0.192 0.000 1.101 157 I CA 0.343 61.504 61.300 -0.232 0.000 1.334 157 I CB 0.416 38.295 38.000 -0.202 0.000 1.421 157 I HN 0.581 nan 8.210 nan 0.000 0.513 158 N N 5.496 124.095 118.700 -0.169 0.000 2.502 158 N HA 0.314 5.054 4.740 -0.001 0.000 0.280 158 N C -0.341 175.092 175.510 -0.127 0.000 1.223 158 N CA -0.554 52.390 53.050 -0.178 0.000 0.966 158 N CB 0.861 39.240 38.487 -0.179 0.000 1.203 158 N HN 0.372 nan 8.380 nan 0.000 0.565 159 K N -0.490 119.818 120.400 -0.152 0.000 3.125 159 K HA -0.124 4.195 4.320 -0.001 0.000 0.268 159 K C 0.335 176.933 176.600 -0.003 0.000 1.078 159 K CA 0.219 56.446 56.287 -0.100 0.000 0.775 159 K CB -1.950 30.498 32.500 -0.086 0.000 1.253 159 K HN 0.255 nan 8.250 nan 0.000 0.486 160 V N 0.927 120.851 119.914 0.018 0.000 2.667 160 V HA -0.232 3.888 4.120 -0.001 0.000 0.252 160 V C 2.438 178.678 176.094 0.242 0.000 1.065 160 V CA 2.226 64.646 62.300 0.200 0.000 1.083 160 V CB -0.247 31.771 31.823 0.326 0.000 0.692 160 V HN 0.549 nan 8.190 nan 0.000 0.468 161 D N 0.392 120.958 120.400 0.276 0.000 2.144 161 D HA -0.267 4.373 4.640 -0.001 0.000 0.199 161 D C 2.125 178.579 176.300 0.258 0.000 0.984 161 D CA 1.274 55.540 54.000 0.444 0.000 0.834 161 D CB -0.455 40.685 40.800 0.566 0.000 0.955 161 D HN 0.323 nan 8.370 nan 0.000 0.465 162 R N 0.659 121.245 120.500 0.142 0.000 2.097 162 R HA -0.135 4.204 4.340 -0.001 0.000 0.236 162 R C 2.535 178.888 176.300 0.089 0.000 1.135 162 R CA 1.910 58.069 56.100 0.097 0.000 0.934 162 R CB -0.553 29.775 30.300 0.047 0.000 0.846 162 R HN 0.285 nan 8.270 nan 0.000 0.431 163 A N 0.825 123.693 122.820 0.080 0.000 1.948 163 A HA -0.182 4.138 4.320 -0.001 0.000 0.220 163 A C 2.109 179.705 177.584 0.021 0.000 1.177 163 A CA 1.383 53.451 52.037 0.052 0.000 0.636 163 A CB -0.458 18.576 19.000 0.057 0.000 0.815 163 A HN 0.257 nan 8.150 nan 0.000 0.449 164 L N -1.771 119.445 121.223 -0.011 0.000 1.995 164 L HA -0.052 4.288 4.340 -0.001 0.000 0.206 164 L C 2.318 179.200 176.870 0.020 0.000 1.098 164 L CA 0.490 55.261 54.840 -0.116 0.000 0.762 164 L CB -0.837 40.986 42.059 -0.394 0.000 0.900 164 L HN 0.240 nan 8.230 nan 0.000 0.441 165 L N 0.033 121.335 121.223 0.131 0.000 2.103 165 L HA -0.271 4.069 4.340 -0.001 0.000 0.215 165 L C 2.388 179.320 176.870 0.104 0.000 1.080 165 L CA 1.833 56.770 54.840 0.160 0.000 0.764 165 L CB -0.812 41.380 42.059 0.222 0.000 0.890 165 L HN 0.351 nan 8.230 nan 0.000 0.435 166 E N -1.547 118.706 120.200 0.088 0.000 2.062 166 E HA -0.033 4.317 4.350 -0.001 0.000 0.196 166 E C 1.928 178.561 176.600 0.055 0.000 0.949 166 E CA 0.132 56.573 56.400 0.069 0.000 0.889 166 E CB -0.412 29.326 29.700 0.064 0.000 0.928 166 E HN 0.119 nan 8.360 nan 0.000 0.476 167 L N 1.439 122.691 121.223 0.049 0.000 2.447 167 L HA -0.127 4.213 4.340 -0.001 0.000 0.225 167 L C 0.433 177.331 176.870 0.046 0.000 1.148 167 L CA 1.109 55.974 54.840 0.043 0.000 0.808 167 L CB -0.648 41.433 42.059 0.038 0.000 0.928 167 L HN 0.187 nan 8.230 nan 0.000 0.448 168 Q N -0.389 119.440 119.800 0.048 0.000 2.452 168 Q HA -0.172 4.168 4.340 -0.001 0.000 0.318 168 Q C -0.312 175.735 176.000 0.079 0.000 1.386 168 Q CA 0.366 56.205 55.803 0.059 0.000 0.872 168 Q CB -1.914 26.858 28.738 0.058 0.000 1.151 168 Q HN 0.221 nan 8.270 nan 0.000 0.417 169 V N 0.911 120.876 119.914 0.086 0.000 2.924 169 V HA 0.296 4.416 4.120 -0.001 0.000 0.305 169 V C 1.121 177.364 176.094 0.249 0.000 1.073 169 V CA 0.518 62.891 62.300 0.123 0.000 1.098 169 V CB 1.688 33.571 31.823 0.099 0.000 1.000 169 V HN 0.588 nan 8.190 nan 0.000 0.484 170 S N 2.900 118.692 115.700 0.153 0.000 2.651 170 S HA 0.432 4.902 4.470 -0.001 0.000 0.291 170 S C 0.680 175.238 174.600 -0.070 0.000 1.141 170 S CA -0.787 57.454 58.200 0.070 0.000 1.027 170 S CB 1.480 64.673 63.200 -0.013 0.000 1.043 170 S HN 0.607 nan 8.310 nan 0.000 0.530 171 K N 0.705 120.804 120.400 -0.501 0.000 2.001 171 K HA -0.201 4.119 4.320 -0.001 0.000 0.214 171 K C 1.966 178.462 176.600 -0.173 0.000 1.050 171 K CA 2.026 57.948 56.287 -0.608 0.000 0.934 171 K CB -0.383 31.677 32.500 -0.733 0.000 0.718 171 K HN 0.766 nan 8.250 nan 0.000 0.443 172 E N 1.314 121.434 120.200 -0.134 0.000 2.204 172 E HA -0.178 4.172 4.350 -0.001 0.000 0.195 172 E C 1.372 177.985 176.600 0.020 0.000 0.990 172 E CA 1.387 57.764 56.400 -0.039 0.000 0.821 172 E CB -0.115 29.550 29.700 -0.057 0.000 0.750 172 E HN 0.190 nan 8.360 nan 0.000 0.477 173 D N -0.260 120.133 120.400 -0.011 0.000 2.077 173 D HA -0.151 4.488 4.640 -0.001 0.000 0.196 173 D C 1.956 178.222 176.300 -0.056 0.000 0.986 173 D CA 1.041 55.035 54.000 -0.010 0.000 0.829 173 D CB -0.439 40.363 40.800 0.003 0.000 0.983 173 D HN 0.214 nan 8.370 nan 0.000 0.453 174 L N 0.577 121.757 121.223 -0.070 0.000 1.990 174 L HA -0.255 4.085 4.340 -0.001 0.000 0.213 174 L C 2.423 178.996 176.870 -0.495 0.000 1.072 174 L CA 1.686 56.353 54.840 -0.289 0.000 0.755 174 L CB -1.083 40.900 42.059 -0.126 0.000 0.889 174 L HN 0.115 nan 8.230 nan 0.000 0.432 175 Y N -0.309 119.835 120.300 -0.260 0.000 2.139 175 Y HA -0.346 4.203 4.550 -0.001 0.000 0.282 175 Y C 2.524 178.308 175.900 -0.192 0.000 1.179 175 Y CA 2.237 60.212 58.100 -0.208 0.000 1.161 175 Y CB -0.272 38.092 38.460 -0.160 0.000 0.970 175 Y HN 0.346 nan 8.280 nan 0.000 0.511 176 Q N -0.265 119.439 119.800 -0.159 0.000 2.050 176 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 176 Q C 2.288 178.193 176.000 -0.159 0.000 0.980 176 Q CA 2.206 57.918 55.803 -0.152 0.000 0.840 176 Q CB -0.953 27.779 28.738 -0.011 0.000 0.898 176 Q HN 0.537 nan 8.270 nan 0.000 0.424 177 T N 1.255 115.715 114.554 -0.157 0.000 2.720 177 T HA -0.117 4.232 4.350 -0.001 0.000 0.268 177 T C 1.595 176.340 174.700 0.075 0.000 1.037 177 T CA 1.142 63.201 62.100 -0.069 0.000 1.144 177 T CB -0.283 68.519 68.868 -0.111 0.000 0.864 177 T HN 0.092 nan 8.240 nan 0.000 0.444 178 F N 1.918 121.847 119.950 -0.035 0.000 2.075 178 F HA 0.061 4.588 4.527 -0.001 0.000 0.297 178 F C 2.798 178.622 175.800 0.040 0.000 1.113 178 F CA 0.201 58.227 58.000 0.044 0.000 1.218 178 F CB -1.632 37.394 39.000 0.043 0.000 0.984 178 F HN 0.157 nan 8.300 nan 0.000 0.472 179 A N 0.186 123.041 122.820 0.058 0.000 1.892 179 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 179 A C 2.406 180.039 177.584 0.081 0.000 1.188 179 A CA 2.022 54.079 52.037 0.033 0.000 0.631 179 A CB -0.848 17.954 19.000 -0.330 0.000 0.822 179 A HN 0.316 nan 8.150 nan 0.000 0.447 180 R N -1.209 119.315 120.500 0.040 0.000 2.082 180 R HA -0.122 4.218 4.340 -0.001 0.000 0.234 180 R C 2.432 178.778 176.300 0.076 0.000 1.136 180 R CA 2.091 58.222 56.100 0.052 0.000 0.935 180 R CB -0.942 29.381 30.300 0.038 0.000 0.842 180 R HN 0.569 nan 8.270 nan 0.000 0.430 181 T N 0.718 115.334 114.554 0.104 0.000 2.665 181 T HA -0.142 4.207 4.350 -0.001 0.000 0.268 181 T C 1.981 176.720 174.700 0.064 0.000 1.035 181 T CA 1.646 63.801 62.100 0.092 0.000 1.151 181 T CB -0.290 68.653 68.868 0.124 0.000 0.862 181 T HN 0.010 nan 8.240 nan 0.000 0.438 182 V N 1.541 121.504 119.914 0.083 0.000 2.332 182 V HA -0.165 3.955 4.120 -0.001 0.000 0.248 182 V C 2.707 178.822 176.094 0.034 0.000 1.055 182 V CA 1.648 63.968 62.300 0.034 0.000 1.038 182 V CB -0.550 31.314 31.823 0.068 0.000 0.651 182 V HN 0.423 nan 8.190 nan 0.000 0.450 183 E N 0.406 120.648 120.200 0.069 0.000 2.051 183 E HA -0.165 4.185 4.350 -0.001 0.000 0.192 183 E C 2.489 179.107 176.600 0.030 0.000 0.991 183 E CA 1.678 58.112 56.400 0.057 0.000 0.799 183 E CB -0.230 29.511 29.700 0.068 0.000 0.748 183 E HN 0.606 nan 8.360 nan 0.000 0.449 184 S N 0.284 116.005 115.700 0.035 0.000 2.365 184 S HA -0.168 4.302 4.470 -0.001 0.000 0.225 184 S C 2.207 176.819 174.600 0.019 0.000 1.039 184 S CA 1.439 59.657 58.200 0.030 0.000 1.033 184 S CB -0.423 62.802 63.200 0.041 0.000 0.887 184 S HN 0.108 nan 8.310 nan 0.000 0.447 185 V N 3.211 123.131 119.914 0.009 0.000 2.233 185 V HA -0.238 3.882 4.120 -0.001 0.000 0.247 185 V C 2.185 178.266 176.094 -0.022 0.000 1.050 185 V CA 1.833 64.128 62.300 -0.008 0.000 1.010 185 V CB -0.904 30.896 31.823 -0.038 0.000 0.637 185 V HN 0.461 nan 8.190 nan 0.000 0.444 186 N N 0.218 118.891 118.700 -0.045 0.000 2.247 186 N HA -0.157 4.583 4.740 -0.001 0.000 0.189 186 N C 1.728 177.210 175.510 -0.047 0.000 1.009 186 N CA 1.576 54.586 53.050 -0.066 0.000 0.872 186 N CB -0.435 38.006 38.487 -0.076 0.000 0.980 186 N HN 0.430 nan 8.380 nan 0.000 0.436 187 V N 2.026 121.924 119.914 -0.027 0.000 2.261 187 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 187 V C 2.414 178.473 176.094 -0.060 0.000 1.047 187 V CA 1.121 63.396 62.300 -0.041 0.000 1.015 187 V CB -0.379 31.432 31.823 -0.020 0.000 0.642 187 V HN 0.178 nan 8.190 nan 0.000 0.446 188 I N 0.139 120.713 120.570 0.007 0.000 2.151 188 I HA -0.228 3.942 4.170 -0.001 0.000 0.243 188 I C 2.479 178.656 176.117 0.100 0.000 1.080 188 I CA 1.649 63.012 61.300 0.105 0.000 1.339 188 I CB -1.321 36.761 38.000 0.136 0.000 1.039 188 I HN 0.180 nan 8.210 nan 0.000 0.409 189 V N 1.588 121.519 119.914 0.029 0.000 2.223 189 V HA -0.284 3.835 4.120 -0.001 0.000 0.244 189 V C 2.749 178.831 176.094 -0.020 0.000 1.045 189 V CA 2.447 64.754 62.300 0.011 0.000 1.000 189 V CB -1.158 30.639 31.823 -0.043 0.000 0.635 189 V HN 0.568 nan 8.190 nan 0.000 0.445 190 S N -0.418 115.244 115.700 -0.064 0.000 2.383 190 S HA -0.241 4.229 4.470 -0.001 0.000 0.229 190 S C 1.875 176.404 174.600 -0.118 0.000 1.030 190 S CA 2.000 60.155 58.200 -0.074 0.000 1.002 190 S CB -1.022 62.137 63.200 -0.068 0.000 0.829 190 S HN 0.581 nan 8.310 nan 0.000 0.467 191 T N 0.423 114.843 114.554 -0.224 0.000 2.929 191 T HA 0.027 4.377 4.350 -0.001 0.000 0.271 191 T C 0.784 175.156 174.700 -0.546 0.000 1.085 191 T CA 1.370 63.200 62.100 -0.449 0.000 1.125 191 T CB -0.300 68.137 68.868 -0.719 0.000 0.874 191 T HN 0.646 nan 8.240 nan 0.000 0.494 192 Y N -0.094 120.203 120.300 -0.006 0.000 2.512 192 Y HA 0.600 5.150 4.550 -0.001 0.000 0.268 192 Y C 1.263 177.162 175.900 -0.003 0.000 1.102 192 Y CA -1.322 56.777 58.100 -0.002 0.000 1.261 192 Y CB -0.399 38.061 38.460 -0.000 0.000 1.250 192 Y HN 0.047 nan 8.280 nan 0.000 0.506 193 A N 1.124 124.018 122.820 0.123 0.000 2.483 193 A HA 0.156 4.476 4.320 -0.001 0.000 0.238 193 A C -0.343 177.266 177.584 0.042 0.000 1.070 193 A CA -0.243 51.834 52.037 0.065 0.000 0.770 193 A CB -0.302 18.710 19.000 0.020 0.000 1.008 193 A HN 0.276 nan 8.150 nan 0.000 0.497 194 D N 0.907 121.328 120.400 0.035 0.000 2.382 194 D HA 0.274 4.914 4.640 -0.001 0.000 0.240 194 D C 0.903 177.203 176.300 -0.000 0.000 1.146 194 D CA 0.318 54.333 54.000 0.025 0.000 0.897 194 D CB 0.554 41.373 40.800 0.032 0.000 1.197 194 D HN 0.646 nan 8.370 nan 0.000 0.432 195 E N 0.110 120.311 120.200 0.001 0.000 2.427 195 E HA -0.046 4.303 4.350 -0.001 0.000 0.196 195 E C 1.434 178.023 176.600 -0.018 0.000 1.028 195 E CA 0.204 56.599 56.400 -0.009 0.000 0.864 195 E CB 0.164 29.864 29.700 -0.001 0.000 0.813 195 E HN 0.224 nan 8.360 nan 0.000 0.514 196 V N 0.602 120.509 119.914 -0.012 0.000 3.444 196 V HA -0.124 3.995 4.120 -0.001 0.000 0.271 196 V C 1.239 177.290 176.094 -0.071 0.000 1.188 196 V CA 0.964 63.255 62.300 -0.014 0.000 1.168 196 V CB -0.371 31.466 31.823 0.024 0.000 0.810 196 V HN 0.209 nan 8.190 nan 0.000 0.500 197 L N -0.047 121.107 121.223 -0.115 0.000 2.642 197 L HA 0.646 4.986 4.340 -0.001 0.000 0.233 197 L C 1.175 177.944 176.870 -0.168 0.000 1.077 197 L CA 0.953 55.649 54.840 -0.239 0.000 0.879 197 L CB -0.520 41.379 42.059 -0.267 0.000 1.151 197 L HN 0.457 nan 8.230 nan 0.000 0.495 198 G N 0.189 108.934 108.800 -0.092 0.000 2.699 198 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.686 198 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.686 198 G C -0.565 174.304 174.900 -0.052 0.000 1.301 198 G CA -0.466 44.599 45.100 -0.058 0.000 0.816 198 G HN 0.195 nan 8.290 nan 0.000 0.595 199 D N -0.712 119.673 120.400 -0.025 0.000 2.518 199 D HA 0.166 4.805 4.640 -0.001 0.000 0.270 199 D C 1.182 177.448 176.300 -0.057 0.000 1.338 199 D CA 1.041 55.025 54.000 -0.027 0.000 0.983 199 D CB 0.973 41.784 40.800 0.019 0.000 1.126 199 D HN 1.096 nan 8.370 nan 0.000 0.543 200 V N 4.294 124.157 119.914 -0.084 0.000 3.444 200 V HA 0.074 4.194 4.120 -0.001 0.000 0.308 200 V C 0.651 176.652 176.094 -0.155 0.000 1.371 200 V CA 0.029 62.269 62.300 -0.101 0.000 1.141 200 V CB -0.561 31.212 31.823 -0.082 0.000 1.037 200 V HN 0.561 nan 8.190 nan 0.000 0.433 201 Q N 0.213 119.880 119.800 -0.222 0.000 2.524 201 Q HA 0.251 4.590 4.340 -0.001 0.000 0.246 201 Q C -0.378 175.326 176.000 -0.493 0.000 1.063 201 Q CA 0.067 55.667 55.803 -0.338 0.000 0.945 201 Q CB 1.276 29.766 28.738 -0.414 0.000 1.292 201 Q HN 0.336 nan 8.270 nan 0.000 0.518 202 V N 1.573 121.210 119.914 -0.461 0.000 2.539 202 V HA 0.281 4.401 4.120 -0.001 0.000 0.292 202 V C -0.911 174.887 176.094 -0.494 0.000 1.045 202 V CA -0.479 61.568 62.300 -0.421 0.000 0.945 202 V CB 0.522 32.173 31.823 -0.286 0.000 0.993 202 V HN 0.582 nan 8.190 nan 0.000 0.464 203 Y N 4.185 124.367 120.300 -0.196 0.000 2.329 203 Y HA 0.311 4.860 4.550 -0.001 0.000 0.328 203 Y C -1.866 173.836 175.900 -0.330 0.000 0.992 203 Y CA -1.874 56.100 58.100 -0.209 0.000 1.151 203 Y CB 2.320 40.707 38.460 -0.121 0.000 1.150 203 Y HN 0.460 nan 8.280 nan 0.000 0.450 204 P HA -0.275 nan 4.420 nan 0.000 0.216 204 P C 1.353 178.495 177.300 -0.264 0.000 1.153 204 P CA 2.366 65.135 63.100 -0.551 0.000 0.858 204 P CB 0.334 31.171 31.700 -1.438 0.000 0.789 205 A N -0.184 122.514 122.820 -0.204 0.000 1.883 205 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 205 A C 2.062 179.663 177.584 0.029 0.000 1.186 205 A CA 1.480 53.533 52.037 0.026 0.000 0.624 205 A CB -0.982 18.070 19.000 0.085 0.000 0.822 205 A HN 0.009 nan 8.150 nan 0.000 0.444 206 R N -0.778 119.728 120.500 0.010 0.000 2.339 206 R HA 0.045 4.385 4.340 -0.001 0.000 0.199 206 R C 1.260 177.541 176.300 -0.032 0.000 1.018 206 R CA 0.676 56.794 56.100 0.030 0.000 1.036 206 R CB -1.163 29.193 30.300 0.093 0.000 0.899 206 R HN 0.952 nan 8.270 nan 0.000 0.473 207 G N 0.756 109.508 108.800 -0.079 0.000 2.147 207 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.244 207 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.244 207 G C 0.590 175.268 174.900 -0.371 0.000 1.005 207 G CA 0.830 45.855 45.100 -0.125 0.000 0.713 207 G HN 0.407 nan 8.290 nan 0.000 0.515 208 T N -2.879 111.416 114.554 -0.432 0.000 3.176 208 T HA 0.588 4.937 4.350 -0.001 0.000 0.263 208 T C 0.257 174.719 174.700 -0.398 0.000 1.021 208 T CA 0.283 62.092 62.100 -0.486 0.000 0.905 208 T CB 1.143 69.730 68.868 -0.467 0.000 1.057 208 T HN 0.808 nan 8.240 nan 0.000 0.558 209 V N 1.159 120.803 119.914 -0.450 0.000 2.623 209 V HA 0.829 4.949 4.120 -0.001 0.000 0.304 209 V C -0.218 175.338 176.094 -0.896 0.000 1.054 209 V CA -1.174 60.742 62.300 -0.640 0.000 0.882 209 V CB 1.439 32.837 31.823 -0.708 0.000 1.002 209 V HN 0.597 nan 8.190 nan 0.000 0.424 210 A N 4.206 126.450 122.820 -0.960 0.000 2.354 210 A HA 1.028 5.347 4.320 -0.001 0.000 0.321 210 A C -1.377 175.390 177.584 -1.363 0.000 1.125 210 A CA -0.439 51.009 52.037 -0.982 0.000 0.799 210 A CB 1.285 19.970 19.000 -0.526 0.000 1.293 210 A HN 0.639 nan 8.150 nan 0.000 0.452 211 F N -0.178 119.325 119.950 -0.745 0.000 2.556 211 F HA 0.765 5.291 4.527 -0.000 0.000 0.314 211 F C 0.669 176.126 175.800 -0.572 0.000 1.106 211 F CA 0.216 57.766 58.000 -0.750 0.000 0.911 211 F CB 2.557 40.993 39.000 -0.939 0.000 1.190 211 F HN 1.072 nan 8.300 nan 0.000 0.448 212 G N 0.347 108.977 108.800 -0.283 0.000 2.323 212 G HA2 0.423 4.383 3.960 -0.001 0.000 0.291 212 G HA3 0.423 4.383 3.960 -0.001 0.000 0.291 212 G C -1.925 172.511 174.900 -0.773 0.000 1.278 212 G CA -0.755 43.947 45.100 -0.662 0.000 0.860 212 G HN 0.692 nan 8.290 nan 0.000 0.504 213 S N -0.631 114.366 115.700 -1.170 0.000 2.733 213 S HA 0.555 5.024 4.470 -0.001 0.000 0.307 213 S C 1.392 175.691 174.600 -0.502 0.000 1.127 213 S CA 0.731 58.498 58.200 -0.722 0.000 1.097 213 S CB 0.837 63.648 63.200 -0.649 0.000 1.003 213 S HN 1.815 nan 8.310 nan 0.000 0.477 214 G N 3.959 112.569 108.800 -0.317 0.000 2.440 214 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.218 214 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.218 214 G C 1.206 176.013 174.900 -0.154 0.000 1.154 214 G CA 1.076 46.054 45.100 -0.202 0.000 0.767 214 G HN 0.657 nan 8.290 nan 0.000 0.552 215 L N 0.273 121.380 121.223 -0.194 0.000 1.994 215 L HA -0.052 4.288 4.340 -0.001 0.000 0.208 215 L C 2.518 179.374 176.870 -0.024 0.000 1.071 215 L CA 1.848 56.599 54.840 -0.148 0.000 0.745 215 L CB -0.683 41.224 42.059 -0.253 0.000 0.892 215 L HN 0.273 nan 8.230 nan 0.000 0.431 216 H N 0.115 119.197 119.070 0.021 0.000 2.546 216 H HA 0.259 4.814 4.556 -0.001 0.000 0.277 216 H C 1.464 176.907 175.328 0.191 0.000 1.004 216 H CA 0.312 56.452 56.048 0.153 0.000 1.231 216 H CB -0.464 29.519 29.762 0.369 0.000 1.382 216 H HN 0.481 nan 8.280 nan 0.000 0.580 217 G N 0.374 109.268 108.800 0.157 0.000 2.204 217 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.244 217 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.244 217 G C -0.176 174.878 174.900 0.256 0.000 1.062 217 G CA 0.270 45.460 45.100 0.150 0.000 0.798 217 G HN 0.485 nan 8.290 nan 0.000 0.496 218 W N -1.649 119.731 121.300 0.134 0.000 3.296 218 W HA 0.823 5.483 4.660 -0.000 0.000 0.314 218 W C -0.402 176.206 176.519 0.148 0.000 1.238 218 W CA -1.334 56.100 57.345 0.148 0.000 1.193 218 W CB 1.046 30.636 29.460 0.218 0.000 1.383 218 W HN 1.258 nan 8.180 nan 0.000 0.545 219 A N 2.562 125.600 122.820 0.363 0.000 2.566 219 A HA 0.909 5.228 4.320 -0.001 0.000 0.290 219 A C -2.080 175.710 177.584 0.343 0.000 1.071 219 A CA -0.663 51.487 52.037 0.189 0.000 0.658 219 A CB 1.582 20.519 19.000 -0.105 0.000 1.285 219 A HN 1.319 nan 8.150 nan 0.000 0.427 220 F N -1.443 118.643 119.950 0.226 0.000 2.741 220 F HA 0.882 5.409 4.527 -0.000 0.000 0.313 220 F C -0.361 175.558 175.800 0.199 0.000 1.153 220 F CA -0.117 57.998 58.000 0.192 0.000 0.931 220 F CB 1.277 40.467 39.000 0.318 0.000 1.335 220 F HN 1.042 nan 8.300 nan 0.000 0.460 221 T N -0.982 113.806 114.554 0.390 0.000 2.916 221 T HA 0.512 4.861 4.350 -0.001 0.000 0.292 221 T C 0.368 175.412 174.700 0.573 0.000 1.055 221 T CA -0.596 61.673 62.100 0.282 0.000 1.009 221 T CB 1.723 70.633 68.868 0.070 0.000 1.118 221 T HN 0.619 nan 8.240 nan 0.000 0.497 222 I N 0.905 121.783 120.570 0.515 0.000 2.208 222 I HA -0.053 4.117 4.170 -0.001 0.000 0.245 222 I C 2.831 179.159 176.117 0.352 0.000 1.097 222 I CA 1.399 63.008 61.300 0.515 0.000 1.363 222 I CB -0.693 37.555 38.000 0.412 0.000 1.051 222 I HN 0.790 nan 8.210 nan 0.000 0.413 223 R N 0.543 121.177 120.500 0.224 0.000 2.096 223 R HA -0.256 4.083 4.340 -0.001 0.000 0.240 223 R C 2.282 178.640 176.300 0.098 0.000 1.139 223 R CA 1.856 58.039 56.100 0.138 0.000 0.952 223 R CB -0.260 30.099 30.300 0.098 0.000 0.854 223 R HN 0.473 nan 8.270 nan 0.000 0.436 224 Q N -0.728 119.122 119.800 0.085 0.000 2.077 224 Q HA -0.211 4.129 4.340 -0.001 0.000 0.206 224 Q C 2.050 177.964 176.000 -0.144 0.000 0.989 224 Q CA 2.093 57.861 55.803 -0.059 0.000 0.853 224 Q CB -0.208 28.456 28.738 -0.122 0.000 0.907 224 Q HN 0.321 nan 8.270 nan 0.000 0.418 225 F N 0.295 120.204 119.950 -0.069 0.000 2.084 225 F HA -0.178 4.349 4.527 -0.001 0.000 0.296 225 F C 2.461 178.158 175.800 -0.173 0.000 1.111 225 F CA 1.185 59.053 58.000 -0.220 0.000 1.224 225 F CB -0.752 38.151 39.000 -0.162 0.000 0.991 225 F HN 0.060 nan 8.300 nan 0.000 0.471 226 A N -0.696 122.241 122.820 0.195 0.000 1.948 226 A HA -0.226 4.094 4.320 -0.001 0.000 0.220 226 A C 2.216 179.825 177.584 0.042 0.000 1.177 226 A CA 2.465 54.588 52.037 0.144 0.000 0.636 226 A CB -1.360 17.724 19.000 0.140 0.000 0.815 226 A HN 0.391 nan 8.150 nan 0.000 0.449 227 T N -1.224 113.330 114.554 0.000 0.000 2.777 227 T HA -0.093 4.257 4.350 -0.001 0.000 0.266 227 T C 2.084 176.730 174.700 -0.090 0.000 1.040 227 T CA 1.479 63.553 62.100 -0.043 0.000 1.141 227 T CB -0.160 68.681 68.868 -0.045 0.000 0.868 227 T HN 0.553 nan 8.240 nan 0.000 0.444 228 R N -0.030 120.388 120.500 -0.136 0.000 2.070 228 R HA -0.070 4.269 4.340 -0.001 0.000 0.232 228 R C 1.699 177.912 176.300 -0.146 0.000 1.138 228 R CA 1.400 57.396 56.100 -0.173 0.000 0.936 228 R CB -0.377 29.752 30.300 -0.285 0.000 0.839 228 R HN 0.308 nan 8.270 nan 0.000 0.429 229 Y N -0.061 120.123 120.300 -0.192 0.000 2.751 229 Y HA 0.041 4.590 4.550 -0.001 0.000 0.310 229 Y C 1.479 176.965 175.900 -0.690 0.000 1.176 229 Y CA 0.330 58.158 58.100 -0.452 0.000 1.360 229 Y CB -0.524 37.817 38.460 -0.198 0.000 0.999 229 Y HN 0.248 nan 8.280 nan 0.000 0.532 230 A N -1.260 121.403 122.820 -0.262 0.000 2.288 230 A HA 0.138 4.457 4.320 -0.001 0.000 0.216 230 A C 1.961 179.417 177.584 -0.213 0.000 1.199 230 A CA 0.163 52.066 52.037 -0.224 0.000 0.891 230 A CB 0.247 19.190 19.000 -0.095 0.000 0.923 230 A HN 0.266 nan 8.150 nan 0.000 0.500 231 K N -0.856 119.413 120.400 -0.220 0.000 2.435 231 K HA 0.078 4.398 4.320 -0.001 0.000 0.199 231 K C 1.656 178.173 176.600 -0.139 0.000 1.153 231 K CA 0.381 56.589 56.287 -0.133 0.000 0.974 231 K CB 0.330 32.783 32.500 -0.079 0.000 0.997 231 K HN 0.160 nan 8.250 nan 0.000 0.547 232 K N 1.593 121.850 120.400 -0.238 0.000 2.152 232 K HA -0.131 4.189 4.320 -0.001 0.000 0.206 232 K C -0.039 176.573 176.600 0.021 0.000 1.048 232 K CA 1.327 57.544 56.287 -0.117 0.000 0.933 232 K CB -0.022 32.412 32.500 -0.110 0.000 0.721 232 K HN 0.152 nan 8.250 nan 0.000 0.447 233 F N -1.934 118.034 119.950 0.031 0.000 3.228 233 F HA 0.428 4.955 4.527 -0.001 0.000 0.390 233 F C 0.165 175.972 175.800 0.011 0.000 1.235 233 F CA -1.380 56.627 58.000 0.012 0.000 1.236 233 F CB 0.086 39.079 39.000 -0.011 0.000 1.855 233 F HN -0.042 nan 8.300 nan 0.000 0.647 234 G N 2.151 111.010 108.800 0.098 0.000 2.775 234 G HA2 0.239 4.199 3.960 -0.001 0.000 0.298 234 G HA3 0.239 4.199 3.960 -0.001 0.000 0.298 234 G C -0.626 174.329 174.900 0.092 0.000 0.415 234 G CA 0.376 45.512 45.100 0.059 0.000 1.178 234 G HN 0.747 nan 8.290 nan 0.000 0.205 235 V N 4.246 124.190 119.914 0.049 0.000 2.924 235 V HA 0.212 4.332 4.120 -0.001 0.000 0.300 235 V C -0.402 175.698 176.094 0.011 0.000 1.227 235 V CA -1.105 61.234 62.300 0.064 0.000 0.954 235 V CB 2.258 34.167 31.823 0.144 0.000 1.055 235 V HN 0.944 nan 8.190 nan 0.000 0.429 236 D N 4.120 124.524 120.400 0.006 0.000 2.424 236 D HA 0.062 4.702 4.640 -0.001 0.000 0.244 236 D C 0.941 177.231 176.300 -0.017 0.000 1.134 236 D CA -0.134 53.861 54.000 -0.007 0.000 0.881 236 D CB 1.474 42.271 40.800 -0.006 0.000 1.191 236 D HN 0.747 nan 8.370 nan 0.000 0.445 237 K N 2.601 122.993 120.400 -0.014 0.000 2.031 237 K HA -0.071 4.249 4.320 -0.001 0.000 0.205 237 K C 2.016 178.616 176.600 -0.000 0.000 1.049 237 K CA 0.753 57.037 56.287 -0.006 0.000 0.939 237 K CB -0.570 31.930 32.500 -0.001 0.000 0.717 237 K HN 0.340 nan 8.250 nan 0.000 0.438 238 A N 2.296 125.116 122.820 -0.001 0.000 1.870 238 A HA -0.332 3.987 4.320 -0.001 0.000 0.219 238 A C 2.273 179.848 177.584 -0.014 0.000 1.224 238 A CA 2.684 54.721 52.037 0.001 0.000 0.650 238 A CB -0.843 18.156 19.000 -0.002 0.000 0.836 238 A HN 0.435 nan 8.150 nan 0.000 0.454 239 K N -1.044 119.335 120.400 -0.034 0.000 2.032 239 K HA -0.192 4.127 4.320 -0.001 0.000 0.209 239 K C 2.009 178.542 176.600 -0.111 0.000 1.048 239 K CA 2.246 58.490 56.287 -0.072 0.000 0.927 239 K CB -0.446 32.003 32.500 -0.084 0.000 0.712 239 K HN 0.403 nan 8.250 nan 0.000 0.441 240 M N 0.889 120.430 119.600 -0.098 0.000 2.080 240 M HA -0.153 4.327 4.480 -0.001 0.000 0.260 240 M C 1.886 178.172 176.300 -0.023 0.000 1.068 240 M CA 2.039 57.273 55.300 -0.109 0.000 1.109 240 M CB -0.384 32.196 32.600 -0.033 0.000 1.342 240 M HN 0.403 nan 8.290 nan 0.000 0.405 241 M N -2.293 117.332 119.600 0.042 0.000 2.374 241 M HA -0.087 4.393 4.480 -0.001 0.000 0.264 241 M C 0.914 177.294 176.300 0.135 0.000 1.067 241 M CA 1.620 56.992 55.300 0.120 0.000 1.103 241 M CB -0.984 31.689 32.600 0.122 0.000 1.402 241 M HN 0.120 nan 8.290 nan 0.000 0.444 242 D N 1.434 121.871 120.400 0.061 0.000 2.219 242 D HA -0.050 4.590 4.640 -0.001 0.000 0.205 242 D C 2.120 178.477 176.300 0.095 0.000 0.970 242 D CA 1.021 55.066 54.000 0.074 0.000 0.851 242 D CB -0.103 40.703 40.800 0.009 0.000 0.943 242 D HN 0.539 nan 8.370 nan 0.000 0.488 243 R N 0.116 120.620 120.500 0.007 0.000 2.093 243 R HA 0.128 4.468 4.340 -0.001 0.000 0.224 243 R C 2.161 178.579 176.300 0.197 0.000 1.101 243 R CA 0.208 56.300 56.100 -0.013 0.000 0.979 243 R CB -0.135 29.890 30.300 -0.458 0.000 0.877 243 R HN 0.143 nan 8.270 nan 0.000 0.441 244 L N 0.339 121.725 121.223 0.272 0.000 2.721 244 L HA -0.057 4.283 4.340 -0.001 0.000 0.241 244 L C 0.370 177.613 176.870 0.622 0.000 1.168 244 L CA 0.389 55.492 54.840 0.439 0.000 0.866 244 L CB -0.368 41.941 42.059 0.416 0.000 0.996 244 L HN 0.316 nan 8.230 nan 0.000 0.451 245 W N -0.353 121.098 121.300 0.252 0.000 3.372 245 W HA 0.425 5.084 4.660 -0.000 0.000 0.315 245 W C 0.264 176.852 176.519 0.116 0.000 1.223 245 W CA 0.241 57.724 57.345 0.231 0.000 1.202 245 W CB 1.476 31.079 29.460 0.239 0.000 1.367 245 W HN 0.039 nan 8.180 nan 0.000 0.531 246 G N 3.631 111.960 108.800 -0.786 0.000 2.527 246 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.227 246 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.227 246 G C -0.642 174.000 174.900 -0.430 0.000 1.291 246 G CA 0.010 44.811 45.100 -0.498 0.000 0.904 246 G HN 0.469 nan 8.290 nan 0.000 0.577 247 D N 1.953 122.230 120.400 -0.205 0.000 2.741 247 D HA 0.505 5.145 4.640 -0.001 0.000 0.233 247 D C -0.149 176.125 176.300 -0.043 0.000 1.160 247 D CA 0.520 54.431 54.000 -0.148 0.000 1.003 247 D CB 0.333 41.212 40.800 0.133 0.000 1.064 247 D HN 0.410 nan 8.370 nan 0.000 0.503 248 S N 0.836 116.353 115.700 -0.306 0.000 2.557 248 S HA 0.599 5.069 4.470 -0.001 0.000 0.291 248 S C -0.520 174.010 174.600 -0.118 0.000 1.116 248 S CA -0.626 57.621 58.200 0.078 0.000 0.992 248 S CB 1.329 64.634 63.200 0.175 0.000 1.028 248 S HN 0.130 nan 8.310 nan 0.000 0.484 249 F N 1.428 121.548 119.950 0.283 0.000 2.593 249 F HA 0.658 5.184 4.527 -0.001 0.000 0.320 249 F C -0.715 175.139 175.800 0.090 0.000 1.060 249 F CA -1.126 56.960 58.000 0.144 0.000 0.940 249 F CB 1.353 40.353 39.000 0.001 0.000 1.268 249 F HN 0.525 nan 8.300 nan 0.000 0.475 250 F N 2.733 122.591 119.950 -0.152 0.000 2.513 250 F HA 0.378 4.904 4.527 -0.001 0.000 0.358 250 F C -0.417 175.205 175.800 -0.297 0.000 1.118 250 F CA -0.864 56.807 58.000 -0.547 0.000 1.037 250 F CB 0.495 38.950 39.000 -0.908 0.000 1.276 250 F HN 0.362 nan 8.300 nan 0.000 0.446 251 N N 7.776 126.037 118.700 -0.731 0.000 2.431 251 N HA 0.149 4.888 4.740 -0.001 0.000 0.265 251 N C -1.946 173.071 175.510 -0.821 0.000 1.184 251 N CA -1.531 51.176 53.050 -0.570 0.000 0.943 251 N CB 1.609 39.861 38.487 -0.392 0.000 1.080 251 N HN 0.325 nan 8.380 nan 0.000 0.477 252 P HA -0.168 nan 4.420 nan 0.000 0.215 252 P C 1.256 178.390 177.300 -0.277 0.000 1.153 252 P CA 1.452 64.368 63.100 -0.308 0.000 0.853 252 P CB 0.354 31.980 31.700 -0.123 0.000 0.788 253 K N -0.397 119.861 120.400 -0.237 0.000 1.973 253 K HA -0.142 4.178 4.320 -0.001 0.000 0.212 253 K C 2.061 178.544 176.600 -0.195 0.000 1.047 253 K CA 2.525 58.706 56.287 -0.176 0.000 0.937 253 K CB -0.925 31.489 32.500 -0.144 0.000 0.721 253 K HN 0.148 nan 8.250 nan 0.000 0.440 254 T N -0.823 113.589 114.554 -0.237 0.000 2.977 254 T HA -0.049 4.300 4.350 -0.001 0.000 0.271 254 T C 0.471 175.025 174.700 -0.244 0.000 1.105 254 T CA 0.877 62.852 62.100 -0.208 0.000 1.116 254 T CB -0.150 68.599 68.868 -0.198 0.000 0.878 254 T HN 0.271 nan 8.240 nan 0.000 0.509 255 K N 0.637 120.789 120.400 -0.413 0.000 3.129 255 K HA -0.121 4.199 4.320 -0.001 0.000 0.273 255 K C -0.452 175.973 176.600 -0.292 0.000 1.123 255 K CA 0.907 56.964 56.287 -0.384 0.000 0.800 255 K CB -1.706 30.738 32.500 -0.093 0.000 1.238 255 K HN 0.632 nan 8.250 nan 0.000 0.492 256 K N -0.798 119.319 120.400 -0.472 0.000 2.482 256 K HA 0.441 4.760 4.320 -0.001 0.000 0.257 256 K C -0.585 175.907 176.600 -0.179 0.000 0.969 256 K CA -0.818 55.384 56.287 -0.141 0.000 0.842 256 K CB 1.099 33.582 32.500 -0.029 0.000 1.359 256 K HN -0.050 nan 8.250 nan 0.000 0.441 257 W N 1.055 122.458 121.300 0.171 0.000 2.351 257 W HA 0.324 4.983 4.660 -0.000 0.000 0.311 257 W C 0.621 177.223 176.519 0.138 0.000 1.168 257 W CA 0.031 57.512 57.345 0.228 0.000 1.200 257 W CB 1.588 31.200 29.460 0.254 0.000 1.221 257 W HN 0.374 nan 8.180 nan 0.000 0.519 258 T N 1.916 116.689 114.554 0.365 0.000 2.916 258 T HA 0.340 4.689 4.350 -0.001 0.000 0.292 258 T C 0.080 174.988 174.700 0.347 0.000 1.064 258 T CA -0.768 61.479 62.100 0.244 0.000 1.011 258 T CB 0.966 69.879 68.868 0.076 0.000 1.152 258 T HN 0.429 nan 8.240 nan 0.000 0.510 259 N N 2.133 120.973 118.700 0.232 0.000 2.328 259 N HA 0.196 4.935 4.740 -0.001 0.000 0.247 259 N C -0.896 174.709 175.510 0.159 0.000 1.165 259 N CA -0.207 53.003 53.050 0.267 0.000 0.873 259 N CB 0.557 39.148 38.487 0.173 0.000 1.125 259 N HN 0.373 nan 8.380 nan 0.000 0.513 260 K N 1.269 121.643 120.400 -0.043 0.000 2.376 260 K HA 0.170 4.490 4.320 -0.001 0.000 0.257 260 K C 0.025 176.113 176.600 -0.853 0.000 0.939 260 K CA -0.409 55.713 56.287 -0.274 0.000 0.809 260 K CB 1.898 34.287 32.500 -0.186 0.000 1.121 260 K HN 0.079 nan 8.250 nan 0.000 0.425 261 D N 0.982 120.906 120.400 -0.793 0.000 2.355 261 D HA -0.056 4.583 4.640 -0.001 0.000 0.253 261 D C -0.016 175.949 176.300 -0.559 0.000 1.187 261 D CA 0.176 53.590 54.000 -0.977 0.000 0.900 261 D CB -0.182 40.447 40.800 -0.284 0.000 0.915 261 D HN 0.524 nan 8.370 nan 0.000 0.516 262 T N -3.273 110.998 114.554 -0.471 0.000 3.012 262 T HA 0.311 4.660 4.350 -0.001 0.000 0.330 262 T C -0.988 173.567 174.700 -0.241 0.000 1.321 262 T CA -1.061 60.870 62.100 -0.283 0.000 1.067 262 T CB 2.545 71.303 68.868 -0.184 0.000 1.235 262 T HN -0.118 nan 8.240 nan 0.000 0.479 263 D N 0.816 121.102 120.400 -0.190 0.000 2.440 263 D HA 0.664 5.304 4.640 -0.001 0.000 0.269 263 D C 1.858 178.089 176.300 -0.114 0.000 1.249 263 D CA 0.106 54.014 54.000 -0.153 0.000 1.055 263 D CB 0.751 41.466 40.800 -0.143 0.000 1.104 263 D HN 0.712 nan 8.370 nan 0.000 0.561 264 A N 0.095 122.858 122.820 -0.095 0.000 1.917 264 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 264 A C 1.737 179.280 177.584 -0.068 0.000 1.182 264 A CA 1.693 53.686 52.037 -0.073 0.000 0.633 264 A CB -0.771 18.190 19.000 -0.064 0.000 0.819 264 A HN 0.642 nan 8.150 nan 0.000 0.448 265 E N -1.090 119.067 120.200 -0.073 0.000 2.512 265 E HA 0.315 4.665 4.350 -0.001 0.000 0.195 265 E C 1.296 177.855 176.600 -0.069 0.000 1.083 265 E CA 0.701 57.062 56.400 -0.064 0.000 0.873 265 E CB -0.417 29.245 29.700 -0.063 0.000 0.897 265 E HN 0.755 nan 8.360 nan 0.000 0.514 266 G N 1.380 110.132 108.800 -0.081 0.000 2.245 266 G HA2 -0.434 3.525 3.960 -0.001 0.000 0.264 266 G HA3 -0.434 3.525 3.960 -0.001 0.000 0.264 266 G C 0.233 175.075 174.900 -0.096 0.000 0.985 266 G CA 0.640 45.688 45.100 -0.086 0.000 0.625 266 G HN 0.447 nan 8.290 nan 0.000 0.536 267 K N 0.924 121.268 120.400 -0.094 0.000 2.485 267 K HA 0.415 4.735 4.320 -0.001 0.000 0.277 267 K C -2.583 173.945 176.600 -0.120 0.000 0.990 267 K CA -1.211 55.019 56.287 -0.095 0.000 0.994 267 K CB 0.277 32.725 32.500 -0.087 0.000 0.906 267 K HN 0.100 nan 8.250 nan 0.000 0.488 268 P HA -0.027 nan 4.420 nan 0.000 0.264 268 P C -0.875 176.348 177.300 -0.127 0.000 1.183 268 P CA 0.308 63.335 63.100 -0.121 0.000 0.763 268 P CB 0.441 32.090 31.700 -0.085 0.000 0.807 269 L N 2.008 123.138 121.223 -0.155 0.000 2.362 269 L HA 0.443 4.783 4.340 -0.001 0.000 0.271 269 L C 0.587 177.508 176.870 0.085 0.000 1.002 269 L CA -0.900 53.883 54.840 -0.096 0.000 0.818 269 L CB 2.045 43.989 42.059 -0.192 0.000 1.298 269 L HN 0.323 nan 8.230 nan 0.000 0.420 270 E N 3.007 123.248 120.200 0.069 0.000 2.283 270 E HA 0.180 4.530 4.350 -0.001 0.000 0.278 270 E C -0.224 176.411 176.600 0.058 0.000 1.027 270 E CA -0.684 55.740 56.400 0.040 0.000 0.843 270 E CB 1.171 30.804 29.700 -0.112 0.000 1.062 270 E HN 0.385 nan 8.360 nan 0.000 0.401 271 R N 3.070 123.483 120.500 -0.146 0.000 2.640 271 R HA 0.003 4.343 4.340 -0.001 0.000 0.270 271 R C 0.798 176.890 176.300 -0.346 0.000 1.024 271 R CA 0.699 56.459 56.100 -0.567 0.000 1.085 271 R CB 0.591 30.478 30.300 -0.688 0.000 0.963 271 R HN 0.768 nan 8.270 nan 0.000 0.426 272 A N 5.312 127.998 122.820 -0.224 0.000 1.892 272 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 272 A C 1.829 179.449 177.584 0.060 0.000 1.188 272 A CA 1.617 53.703 52.037 0.082 0.000 0.631 272 A CB -0.722 18.576 19.000 0.497 0.000 0.822 272 A HN 0.900 nan 8.150 nan 0.000 0.447 273 F N 1.620 121.520 119.950 -0.083 0.000 2.065 273 F HA -0.270 4.257 4.527 -0.001 0.000 0.298 273 F C 1.942 177.684 175.800 -0.096 0.000 1.112 273 F CA 2.456 60.457 58.000 0.002 0.000 1.212 273 F CB -0.396 38.631 39.000 0.045 0.000 0.975 273 F HN 0.314 nan 8.300 nan 0.000 0.476 274 N N -0.307 118.344 118.700 -0.083 0.000 2.244 274 N HA -0.154 4.586 4.740 -0.001 0.000 0.183 274 N C 1.911 177.226 175.510 -0.325 0.000 1.016 274 N CA 1.444 54.366 53.050 -0.213 0.000 0.866 274 N CB -0.435 37.927 38.487 -0.209 0.000 0.980 274 N HN 0.385 nan 8.380 nan 0.000 0.430 275 M N -0.682 118.669 119.600 -0.415 0.000 2.064 275 M HA -0.048 4.432 4.480 -0.001 0.000 0.260 275 M C 0.642 176.593 176.300 -0.582 0.000 1.073 275 M CA 1.701 56.629 55.300 -0.621 0.000 1.124 275 M CB 0.042 32.018 32.600 -1.040 0.000 1.326 275 M HN 0.050 nan 8.290 nan 0.000 0.410 276 F N -1.110 118.788 119.950 -0.086 0.000 2.656 276 F HA 0.124 4.651 4.527 -0.001 0.000 0.291 276 F C 1.545 177.212 175.800 -0.222 0.000 1.122 276 F CA 0.154 58.136 58.000 -0.029 0.000 1.427 276 F CB -0.313 38.758 39.000 0.118 0.000 1.125 276 F HN 0.078 nan 8.300 nan 0.000 0.583 277 I N -0.702 119.631 120.570 -0.395 0.000 3.341 277 I HA 0.008 4.178 4.170 -0.001 0.000 0.243 277 I C 2.158 177.927 176.117 -0.579 0.000 1.094 277 I CA 0.603 61.347 61.300 -0.926 0.000 1.507 277 I CB -1.023 36.184 38.000 -1.323 0.000 1.441 277 I HN -0.130 nan 8.210 nan 0.000 0.465 278 L N 0.513 121.436 121.223 -0.500 0.000 2.013 278 L HA -0.265 4.075 4.340 -0.001 0.000 0.212 278 L C 2.211 179.095 176.870 0.023 0.000 1.073 278 L CA 1.820 56.582 54.840 -0.130 0.000 0.753 278 L CB -0.738 41.237 42.059 -0.140 0.000 0.890 278 L HN 0.323 nan 8.230 nan 0.000 0.432 279 D N -0.253 120.061 120.400 -0.143 0.000 2.103 279 D HA -0.151 4.488 4.640 -0.001 0.000 0.190 279 D C -0.484 175.851 176.300 0.059 0.000 0.997 279 D CA 1.629 55.584 54.000 -0.075 0.000 0.833 279 D CB -0.966 39.757 40.800 -0.129 0.000 0.961 279 D HN 0.114 nan 8.370 nan 0.000 0.447 280 P HA -0.140 nan 4.420 nan 0.000 0.216 280 P C 1.543 178.914 177.300 0.118 0.000 1.153 280 P CA 0.956 64.121 63.100 0.109 0.000 0.858 280 P CB 0.039 31.870 31.700 0.218 0.000 0.789 281 I N -1.942 118.727 120.570 0.165 0.000 2.142 281 I HA -0.210 3.960 4.170 -0.001 0.000 0.240 281 I C 2.220 178.396 176.117 0.098 0.000 1.078 281 I CA 1.739 63.120 61.300 0.135 0.000 1.343 281 I CB -1.571 36.461 38.000 0.054 0.000 1.046 281 I HN -0.091 nan 8.210 nan 0.000 0.405 282 F N 1.416 121.310 119.950 -0.093 0.000 2.120 282 F HA -0.208 4.318 4.527 -0.001 0.000 0.300 282 F C 2.777 178.587 175.800 0.018 0.000 1.095 282 F CA 1.448 59.393 58.000 -0.092 0.000 1.249 282 F CB -0.733 38.215 39.000 -0.087 0.000 0.995 282 F HN 0.064 nan 8.300 nan 0.000 0.480 283 R N 0.014 120.633 120.500 0.199 0.000 2.073 283 R HA -0.151 4.188 4.340 -0.001 0.000 0.234 283 R C 2.258 178.608 176.300 0.083 0.000 1.134 283 R CA 1.441 57.608 56.100 0.110 0.000 0.952 283 R CB -0.863 29.472 30.300 0.058 0.000 0.850 283 R HN 0.312 nan 8.270 nan 0.000 0.433 284 L N -0.284 120.984 121.223 0.076 0.000 2.079 284 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 284 L C 2.206 179.092 176.870 0.026 0.000 1.081 284 L CA 1.447 56.289 54.840 0.005 0.000 0.752 284 L CB -0.354 41.666 42.059 -0.065 0.000 0.896 284 L HN 0.156 nan 8.230 nan 0.000 0.433 285 F N -0.428 119.444 119.950 -0.130 0.000 2.113 285 F HA -0.208 4.318 4.527 -0.001 0.000 0.297 285 F C 2.657 178.392 175.800 -0.109 0.000 1.103 285 F CA 1.530 59.448 58.000 -0.136 0.000 1.248 285 F CB -0.551 38.357 39.000 -0.154 0.000 0.999 285 F HN -0.012 nan 8.300 nan 0.000 0.475 286 T N -0.009 114.626 114.554 0.135 0.000 2.652 286 T HA -0.230 4.120 4.350 -0.001 0.000 0.267 286 T C 2.176 176.875 174.700 -0.001 0.000 1.039 286 T CA 1.356 63.494 62.100 0.062 0.000 1.153 286 T CB -0.716 68.199 68.868 0.078 0.000 0.863 286 T HN 0.304 nan 8.240 nan 0.000 0.428 287 A N 0.790 123.605 122.820 -0.009 0.000 2.070 287 A HA -0.019 4.301 4.320 -0.001 0.000 0.220 287 A C 2.131 179.660 177.584 -0.092 0.000 1.159 287 A CA 1.039 53.054 52.037 -0.036 0.000 0.656 287 A CB -0.502 18.477 19.000 -0.034 0.000 0.800 287 A HN 0.412 nan 8.150 nan 0.000 0.453 288 I N -1.502 118.976 120.570 -0.153 0.000 2.685 288 I HA -0.004 4.166 4.170 -0.001 0.000 0.251 288 I C 1.951 177.821 176.117 -0.412 0.000 1.102 288 I CA 0.782 61.928 61.300 -0.256 0.000 1.442 288 I CB -1.046 36.776 38.000 -0.295 0.000 1.194 288 I HN 0.208 nan 8.210 nan 0.000 0.448 289 M N 0.677 120.070 119.600 -0.345 0.000 2.632 289 M HA -0.060 4.419 4.480 -0.001 0.000 0.256 289 M C 0.960 177.032 176.300 -0.380 0.000 1.080 289 M CA 0.997 56.059 55.300 -0.397 0.000 1.084 289 M CB -1.302 31.188 32.600 -0.185 0.000 1.439 289 M HN 0.283 nan 8.290 nan 0.000 0.509 290 N N -0.696 117.861 118.700 -0.239 0.000 2.204 290 N HA 0.095 4.835 4.740 -0.001 0.000 0.219 290 N C -0.380 175.207 175.510 0.129 0.000 1.151 290 N CA -0.037 53.006 53.050 -0.012 0.000 0.867 290 N CB 0.575 39.081 38.487 0.032 0.000 1.043 290 N HN 0.188 nan 8.380 nan 0.000 0.516 291 F N 0.883 120.824 119.950 -0.015 0.000 3.093 291 F HA -0.261 4.266 4.527 -0.001 0.000 0.283 291 F C 0.270 176.061 175.800 -0.015 0.000 0.848 291 F CA 0.615 58.603 58.000 -0.018 0.000 1.059 291 F CB -2.109 36.883 39.000 -0.014 0.000 1.191 291 F HN -0.054 nan 8.300 nan 0.000 0.514 292 K N 1.281 121.738 120.400 0.095 0.000 2.086 292 K HA -0.017 4.303 4.320 -0.001 0.000 0.215 292 K C 1.341 177.966 176.600 0.043 0.000 1.207 292 K CA -0.006 56.318 56.287 0.062 0.000 1.206 292 K CB -0.003 32.516 32.500 0.032 0.000 1.253 292 K HN 0.401 nan 8.250 nan 0.000 0.234 293 K N 0.952 121.389 120.400 0.062 0.000 2.107 293 K HA -0.245 4.074 4.320 -0.001 0.000 0.211 293 K C 1.105 177.717 176.600 0.019 0.000 1.049 293 K CA 1.684 57.995 56.287 0.041 0.000 0.927 293 K CB 0.032 32.559 32.500 0.045 0.000 0.714 293 K HN 0.467 nan 8.250 nan 0.000 0.452 294 D N 0.526 120.937 120.400 0.017 0.000 2.117 294 D HA -0.120 4.519 4.640 -0.001 0.000 0.198 294 D C 1.833 178.135 176.300 0.002 0.000 0.982 294 D CA 1.174 55.180 54.000 0.009 0.000 0.828 294 D CB 0.039 40.845 40.800 0.010 0.000 0.967 294 D HN 0.345 nan 8.370 nan 0.000 0.464 295 E N 0.550 120.750 120.200 0.001 0.000 2.107 295 E HA -0.078 4.272 4.350 -0.001 0.000 0.191 295 E C 2.378 178.966 176.600 -0.019 0.000 0.982 295 E CA 0.202 56.599 56.400 -0.006 0.000 0.809 295 E CB 0.066 29.763 29.700 -0.004 0.000 0.756 295 E HN 0.268 nan 8.360 nan 0.000 0.459 296 I N 1.280 121.836 120.570 -0.024 0.000 2.074 296 I HA -0.302 3.867 4.170 -0.001 0.000 0.238 296 I C -0.706 175.386 176.117 -0.042 0.000 1.037 296 I CA 1.606 62.880 61.300 -0.043 0.000 1.301 296 I CB -1.590 36.385 38.000 -0.043 0.000 1.016 296 I HN 0.099 nan 8.210 nan 0.000 0.400 297 P HA -0.156 nan 4.420 nan 0.000 0.216 297 P C 1.831 179.118 177.300 -0.022 0.000 1.154 297 P CA 1.498 64.584 63.100 -0.022 0.000 0.865 297 P CB -0.035 31.658 31.700 -0.012 0.000 0.789 298 V N -1.172 118.731 119.914 -0.018 0.000 2.407 298 V HA -0.158 3.962 4.120 -0.001 0.000 0.245 298 V C 2.362 178.444 176.094 -0.020 0.000 1.041 298 V CA 1.147 63.440 62.300 -0.013 0.000 1.040 298 V CB -1.329 30.490 31.823 -0.006 0.000 0.671 298 V HN 0.023 nan 8.190 nan 0.000 0.455 299 L N -0.186 121.018 121.223 -0.033 0.000 2.013 299 L HA -0.164 4.176 4.340 -0.001 0.000 0.212 299 L C 2.201 179.026 176.870 -0.076 0.000 1.073 299 L CA 1.955 56.766 54.840 -0.049 0.000 0.753 299 L CB -0.708 41.314 42.059 -0.063 0.000 0.890 299 L HN 0.183 nan 8.230 nan 0.000 0.432 300 L N -0.672 120.501 121.223 -0.083 0.000 2.141 300 L HA -0.171 4.168 4.340 -0.001 0.000 0.209 300 L C 2.513 179.353 176.870 -0.050 0.000 1.094 300 L CA 1.638 56.422 54.840 -0.094 0.000 0.763 300 L CB -0.909 41.102 42.059 -0.079 0.000 0.908 300 L HN 0.416 nan 8.230 nan 0.000 0.437 301 E N -0.223 119.961 120.200 -0.026 0.000 2.152 301 E HA -0.178 4.172 4.350 -0.001 0.000 0.192 301 E C 2.008 178.616 176.600 0.013 0.000 0.983 301 E CA 1.221 57.619 56.400 -0.003 0.000 0.818 301 E CB 0.074 29.775 29.700 0.001 0.000 0.758 301 E HN 0.363 nan 8.360 nan 0.000 0.467 302 K N -0.373 120.034 120.400 0.012 0.000 2.305 302 K HA 0.069 4.389 4.320 -0.001 0.000 0.199 302 K C 1.569 178.208 176.600 0.065 0.000 1.047 302 K CA 0.632 56.944 56.287 0.041 0.000 0.976 302 K CB 0.206 32.731 32.500 0.041 0.000 0.765 302 K HN 0.208 nan 8.250 nan 0.000 0.474 303 L N 0.464 121.702 121.223 0.024 0.000 2.585 303 L HA 0.093 4.433 4.340 -0.001 0.000 0.226 303 L C -0.233 176.689 176.870 0.088 0.000 1.113 303 L CA 0.158 55.031 54.840 0.055 0.000 0.876 303 L CB -0.085 41.883 42.059 -0.153 0.000 1.072 303 L HN 0.170 nan 8.230 nan 0.000 0.468 304 E N 0.309 120.539 120.200 0.049 0.000 2.694 304 E HA -0.209 4.140 4.350 -0.001 0.000 0.272 304 E C -0.122 176.508 176.600 0.051 0.000 1.040 304 E CA 0.198 56.630 56.400 0.052 0.000 0.809 304 E CB -1.468 28.273 29.700 0.069 0.000 1.389 304 E HN 0.439 nan 8.360 nan 0.000 0.413 305 I N 1.879 122.460 120.570 0.018 0.000 2.269 305 I HA 0.105 4.275 4.170 -0.001 0.000 0.293 305 I C 0.720 176.838 176.117 0.002 0.000 1.106 305 I CA -0.787 60.524 61.300 0.018 0.000 1.248 305 I CB 0.361 38.331 38.000 -0.049 0.000 1.444 305 I HN -0.079 nan 8.210 nan 0.000 0.497 306 V N 5.868 125.793 119.914 0.018 0.000 2.461 306 V HA 0.473 4.592 4.120 -0.001 0.000 0.275 306 V C -0.057 176.042 176.094 0.008 0.000 1.047 306 V CA -0.541 61.765 62.300 0.010 0.000 0.955 306 V CB 0.947 32.779 31.823 0.016 0.000 0.988 306 V HN 0.470 nan 8.190 nan 0.000 0.471 307 L N 5.388 126.611 121.223 0.000 0.000 2.344 307 L HA 0.671 5.010 4.340 -0.001 0.000 0.272 307 L C 0.308 177.180 176.870 0.003 0.000 1.035 307 L CA -0.769 54.070 54.840 -0.001 0.000 0.807 307 L CB 1.852 43.904 42.059 -0.010 0.000 1.237 307 L HN 0.854 nan 8.230 nan 0.000 0.442 308 K N 1.200 121.603 120.400 0.005 0.000 2.267 308 K HA 0.678 4.998 4.320 -0.001 0.000 0.246 308 K C 0.341 176.944 176.600 0.005 0.000 0.954 308 K CA 0.078 56.369 56.287 0.006 0.000 0.824 308 K CB 1.923 34.428 32.500 0.009 0.000 1.167 308 K HN 0.651 nan 8.250 nan 0.000 0.431 309 G N 2.668 111.471 108.800 0.005 0.000 2.632 309 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.322 309 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.322 309 G C 0.434 175.337 174.900 0.003 0.000 1.326 309 G CA 0.844 45.946 45.100 0.005 0.000 0.986 309 G HN 0.843 nan 8.290 nan 0.000 0.541 310 D N 0.960 121.363 120.400 0.004 0.000 2.271 310 D HA -0.068 4.572 4.640 -0.001 0.000 0.207 310 D C 2.246 178.547 176.300 0.002 0.000 0.983 310 D CA 1.426 55.428 54.000 0.004 0.000 0.878 310 D CB -0.340 40.463 40.800 0.005 0.000 0.920 310 D HN 0.754 nan 8.370 nan 0.000 0.479 311 E N 0.604 120.805 120.200 0.001 0.000 2.233 311 E HA -0.195 4.155 4.350 -0.001 0.000 0.199 311 E C 1.550 178.145 176.600 -0.007 0.000 1.004 311 E CA 0.791 57.189 56.400 -0.003 0.000 0.819 311 E CB -0.077 29.620 29.700 -0.004 0.000 0.738 311 E HN 0.366 nan 8.360 nan 0.000 0.478 312 K N 0.556 120.954 120.400 -0.004 0.000 2.555 312 K HA -0.056 4.264 4.320 -0.001 0.000 0.193 312 K C 0.320 176.920 176.600 -0.000 0.000 1.032 312 K CA 0.565 56.849 56.287 -0.005 0.000 1.004 312 K CB 0.275 32.773 32.500 -0.003 0.000 0.804 312 K HN 0.105 nan 8.250 nan 0.000 0.496 313 D N 0.754 121.156 120.400 0.003 0.000 2.538 313 D HA 0.126 4.766 4.640 -0.001 0.000 0.231 313 D C 0.076 176.385 176.300 0.014 0.000 1.229 313 D CA 0.049 54.054 54.000 0.009 0.000 0.828 313 D CB 0.516 41.321 40.800 0.009 0.000 1.035 313 D HN 0.080 nan 8.370 nan 0.000 0.495 314 L N 0.369 121.596 121.223 0.007 0.000 2.416 314 L HA 0.480 4.819 4.340 -0.001 0.000 0.262 314 L C 0.517 177.400 176.870 0.020 0.000 1.093 314 L CA -0.524 54.321 54.840 0.008 0.000 0.801 314 L CB 1.224 43.275 42.059 -0.013 0.000 1.191 314 L HN -0.237 nan 8.230 nan 0.000 0.459 315 E N -0.830 119.392 120.200 0.037 0.000 2.416 315 E HA 0.478 4.828 4.350 -0.001 0.000 0.273 315 E C 0.052 176.633 176.600 -0.032 0.000 0.935 315 E CA -0.255 56.192 56.400 0.077 0.000 0.784 315 E CB 1.984 31.851 29.700 0.279 0.000 1.301 315 E HN 0.733 nan 8.360 nan 0.000 0.454 316 G N 1.660 110.306 108.800 -0.256 0.000 2.684 316 G HA2 -0.460 3.500 3.960 -0.001 0.000 0.342 316 G HA3 -0.460 3.500 3.960 -0.001 0.000 0.342 316 G C 0.816 175.554 174.900 -0.270 0.000 1.316 316 G CA 1.232 46.076 45.100 -0.426 0.000 0.994 316 G HN 0.616 nan 8.290 nan 0.000 0.541 317 K N 0.466 120.747 120.400 -0.199 0.000 2.034 317 K HA -0.043 4.276 4.320 -0.001 0.000 0.214 317 K C 3.088 179.587 176.600 -0.168 0.000 1.051 317 K CA 2.137 58.312 56.287 -0.187 0.000 0.931 317 K CB -0.529 31.911 32.500 -0.099 0.000 0.715 317 K HN 0.704 nan 8.250 nan 0.000 0.446 318 A N 1.095 123.858 122.820 -0.095 0.000 1.978 318 A HA -0.160 4.160 4.320 -0.001 0.000 0.220 318 A C 2.105 179.639 177.584 -0.083 0.000 1.170 318 A CA 1.338 53.336 52.037 -0.065 0.000 0.636 318 A CB -0.396 18.590 19.000 -0.023 0.000 0.810 318 A HN 0.262 nan 8.150 nan 0.000 0.448 319 L N -1.366 119.789 121.223 -0.113 0.000 2.168 319 L HA 0.108 4.448 4.340 -0.001 0.000 0.203 319 L C 2.119 178.884 176.870 -0.175 0.000 1.078 319 L CA 1.430 56.198 54.840 -0.119 0.000 0.780 319 L CB -0.534 41.456 42.059 -0.116 0.000 0.939 319 L HN 0.297 nan 8.230 nan 0.000 0.451 320 L N -0.068 120.998 121.223 -0.261 0.000 2.043 320 L HA -0.247 4.093 4.340 -0.001 0.000 0.212 320 L C 2.421 179.108 176.870 -0.305 0.000 1.075 320 L CA 1.904 56.517 54.840 -0.378 0.000 0.752 320 L CB -0.718 41.008 42.059 -0.556 0.000 0.891 320 L HN 0.252 nan 8.230 nan 0.000 0.432 321 K N -1.194 119.067 120.400 -0.233 0.000 2.002 321 K HA -0.144 4.176 4.320 -0.001 0.000 0.209 321 K C 1.931 178.520 176.600 -0.019 0.000 1.048 321 K CA 1.798 58.019 56.287 -0.109 0.000 0.930 321 K CB -0.463 31.994 32.500 -0.073 0.000 0.714 321 K HN 0.267 nan 8.250 nan 0.000 0.438 322 V N 1.154 121.046 119.914 -0.037 0.000 2.332 322 V HA -0.232 3.888 4.120 -0.001 0.000 0.248 322 V C 2.324 178.415 176.094 -0.004 0.000 1.055 322 V CA 1.523 63.819 62.300 -0.007 0.000 1.038 322 V CB -0.386 31.425 31.823 -0.020 0.000 0.651 322 V HN 0.104 nan 8.190 nan 0.000 0.450 323 V N -0.703 119.178 119.914 -0.054 0.000 2.237 323 V HA -0.282 3.838 4.120 -0.001 0.000 0.245 323 V C 2.536 178.631 176.094 0.002 0.000 1.046 323 V CA 2.071 64.335 62.300 -0.059 0.000 1.007 323 V CB -0.578 31.158 31.823 -0.145 0.000 0.638 323 V HN 0.389 nan 8.190 nan 0.000 0.445 324 M N -0.419 119.151 119.600 -0.050 0.000 2.106 324 M HA -0.193 4.286 4.480 -0.001 0.000 0.259 324 M C 2.297 178.715 176.300 0.197 0.000 1.068 324 M CA 1.804 57.098 55.300 -0.010 0.000 1.100 324 M CB -1.341 31.061 32.600 -0.330 0.000 1.351 324 M HN 0.323 nan 8.290 nan 0.000 0.404 325 R N -0.224 120.396 120.500 0.200 0.000 2.081 325 R HA -0.176 4.164 4.340 -0.001 0.000 0.235 325 R C 2.254 178.647 176.300 0.156 0.000 1.131 325 R CA 1.452 57.678 56.100 0.209 0.000 0.960 325 R CB -0.397 29.997 30.300 0.155 0.000 0.856 325 R HN 0.216 nan 8.270 nan 0.000 0.436 326 K N 0.078 120.554 120.400 0.128 0.000 2.155 326 K HA -0.112 4.208 4.320 -0.001 0.000 0.203 326 K C 1.646 178.346 176.600 0.166 0.000 1.052 326 K CA 0.975 57.329 56.287 0.112 0.000 0.948 326 K CB -0.157 32.390 32.500 0.079 0.000 0.728 326 K HN 0.006 nan 8.250 nan 0.000 0.448 327 F N 0.283 120.234 119.950 0.002 0.000 2.118 327 F HA 0.222 4.748 4.527 -0.000 0.000 0.293 327 F C 0.301 176.102 175.800 0.002 0.000 1.102 327 F CA 0.890 58.879 58.000 -0.018 0.000 1.247 327 F CB 0.376 39.352 39.000 -0.041 0.000 1.017 327 F HN -0.133 nan 8.300 nan 0.000 0.475 328 L N 1.466 122.715 121.223 0.043 0.000 2.594 328 L HA 0.317 4.657 4.340 -0.001 0.000 0.245 328 L C -2.520 174.461 176.870 0.186 0.000 1.460 328 L CA -1.813 53.037 54.840 0.016 0.000 0.865 328 L CB 0.790 42.922 42.059 0.121 0.000 1.131 328 L HN -0.187 nan 8.230 nan 0.000 0.506 329 P HA -0.083 nan 4.420 nan 0.000 0.250 329 P C 1.057 178.411 177.300 0.090 0.000 1.161 329 P CA 0.386 63.549 63.100 0.105 0.000 0.863 329 P CB 0.971 32.701 31.700 0.050 0.000 0.827 330 A N 5.435 128.323 122.820 0.114 0.000 1.940 330 A HA -0.303 4.017 4.320 -0.001 0.000 0.221 330 A C 2.191 179.773 177.584 -0.003 0.000 1.190 330 A CA 2.430 54.492 52.037 0.042 0.000 0.647 330 A CB -1.395 17.601 19.000 -0.007 0.000 0.821 330 A HN 0.484 nan 8.150 nan 0.000 0.457 331 A N 0.082 122.904 122.820 0.003 0.000 1.865 331 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 331 A C 1.732 179.299 177.584 -0.027 0.000 1.191 331 A CA 2.135 54.163 52.037 -0.015 0.000 0.623 331 A CB -0.863 18.135 19.000 -0.003 0.000 0.826 331 A HN 0.507 nan 8.150 nan 0.000 0.444 332 D N 0.166 120.554 120.400 -0.020 0.000 2.116 332 D HA -0.107 4.533 4.640 -0.001 0.000 0.193 332 D C 2.166 178.439 176.300 -0.046 0.000 0.998 332 D CA 1.823 55.802 54.000 -0.035 0.000 0.836 332 D CB -0.438 40.343 40.800 -0.033 0.000 0.951 332 D HN 0.466 nan 8.370 nan 0.000 0.449 333 A N 0.280 123.078 122.820 -0.036 0.000 1.902 333 A HA -0.112 4.208 4.320 -0.001 0.000 0.217 333 A C 2.292 179.829 177.584 -0.078 0.000 1.181 333 A CA 1.034 53.043 52.037 -0.047 0.000 0.623 333 A CB -0.745 18.235 19.000 -0.033 0.000 0.818 333 A HN 0.220 nan 8.150 nan 0.000 0.443 334 L N -0.841 120.332 121.223 -0.082 0.000 2.056 334 L HA -0.116 4.224 4.340 -0.001 0.000 0.207 334 L C 2.538 179.359 176.870 -0.081 0.000 1.078 334 L CA 0.848 55.632 54.840 -0.093 0.000 0.749 334 L CB -0.629 41.377 42.059 -0.087 0.000 0.901 334 L HN 0.328 nan 8.230 nan 0.000 0.433 335 L N -0.229 120.949 121.223 -0.074 0.000 2.083 335 L HA -0.216 4.123 4.340 -0.001 0.000 0.209 335 L C 2.704 179.504 176.870 -0.117 0.000 1.083 335 L CA 1.195 55.982 54.840 -0.088 0.000 0.752 335 L CB -0.458 41.552 42.059 -0.081 0.000 0.899 335 L HN 0.363 nan 8.230 nan 0.000 0.433 336 E N 0.441 120.581 120.200 -0.099 0.000 2.023 336 E HA -0.274 4.075 4.350 -0.001 0.000 0.196 336 E C 2.331 178.890 176.600 -0.068 0.000 1.003 336 E CA 1.645 57.985 56.400 -0.099 0.000 0.809 336 E CB -0.087 29.576 29.700 -0.061 0.000 0.755 336 E HN 0.414 nan 8.360 nan 0.000 0.449 337 M N 0.292 119.877 119.600 -0.025 0.000 2.149 337 M HA -0.195 4.285 4.480 -0.001 0.000 0.261 337 M C 2.371 178.681 176.300 0.017 0.000 1.064 337 M CA 1.277 56.610 55.300 0.056 0.000 1.102 337 M CB -0.327 32.243 32.600 -0.051 0.000 1.369 337 M HN 0.227 nan 8.290 nan 0.000 0.408 338 I N -0.661 119.874 120.570 -0.058 0.000 2.179 338 I HA -0.243 3.927 4.170 -0.001 0.000 0.242 338 I C 2.328 178.369 176.117 -0.127 0.000 1.088 338 I CA 1.105 62.364 61.300 -0.069 0.000 1.357 338 I CB -0.408 37.551 38.000 -0.068 0.000 1.051 338 I HN 0.061 nan 8.210 nan 0.000 0.409 339 V N 1.092 120.860 119.914 -0.244 0.000 2.358 339 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 339 V C 2.218 178.077 176.094 -0.391 0.000 1.047 339 V CA 1.530 63.549 62.300 -0.468 0.000 1.035 339 V CB -0.369 30.961 31.823 -0.822 0.000 0.658 339 V HN 0.371 nan 8.190 nan 0.000 0.452 340 L N -1.154 119.876 121.223 -0.321 0.000 2.418 340 L HA 0.041 4.381 4.340 -0.001 0.000 0.218 340 L C 2.119 178.625 176.870 -0.606 0.000 1.125 340 L CA 0.974 55.553 54.840 -0.434 0.000 0.835 340 L CB -0.429 41.340 42.059 -0.484 0.000 0.953 340 L HN 0.473 nan 8.230 nan 0.000 0.454 341 H N -1.466 117.553 119.070 -0.085 0.000 3.400 341 H HA 0.322 4.877 4.556 -0.001 0.000 0.251 341 H C 0.627 175.935 175.328 -0.034 0.000 1.040 341 H CA -0.262 55.754 56.048 -0.053 0.000 1.175 341 H CB 1.167 30.892 29.762 -0.061 0.000 1.487 341 H HN 0.127 nan 8.280 nan 0.000 0.505 342 L N 5.062 126.319 121.223 0.057 0.000 2.349 342 L HA 0.208 4.548 4.340 -0.001 0.000 0.275 342 L C -1.947 174.950 176.870 0.045 0.000 1.115 342 L CA -1.744 53.124 54.840 0.047 0.000 0.820 342 L CB 0.975 43.050 42.059 0.026 0.000 1.135 342 L HN -0.087 nan 8.230 nan 0.000 0.445 343 P HA 0.045 nan 4.420 nan 0.000 0.269 343 P C -0.622 176.722 177.300 0.074 0.000 1.215 343 P CA -0.359 62.800 63.100 0.097 0.000 0.780 343 P CB 1.101 32.904 31.700 0.171 0.000 0.898 344 S N 1.445 117.187 115.700 0.070 0.000 2.707 344 S HA 0.373 4.842 4.470 -0.001 0.000 0.276 344 S C -1.815 172.797 174.600 0.019 0.000 1.179 344 S CA -1.353 56.879 58.200 0.054 0.000 0.992 344 S CB 0.210 63.449 63.200 0.065 0.000 1.030 344 S HN 0.226 nan 8.310 nan 0.000 0.554 345 P HA -0.085 nan 4.420 nan 0.000 0.216 345 P C 1.556 178.831 177.300 -0.042 0.000 1.150 345 P CA 0.767 63.838 63.100 -0.050 0.000 0.837 345 P CB -0.220 31.433 31.700 -0.079 0.000 0.786 346 V N -0.449 119.455 119.914 -0.018 0.000 2.233 346 V HA -0.278 3.842 4.120 -0.001 0.000 0.247 346 V C 2.308 178.402 176.094 0.000 0.000 1.050 346 V CA 2.741 65.037 62.300 -0.008 0.000 1.010 346 V CB -1.957 29.869 31.823 0.006 0.000 0.637 346 V HN 0.176 nan 8.190 nan 0.000 0.444 347 T N 0.232 114.806 114.554 0.032 0.000 2.746 347 T HA -0.132 4.217 4.350 -0.001 0.000 0.267 347 T C 1.978 176.719 174.700 0.069 0.000 1.039 347 T CA 1.712 63.867 62.100 0.091 0.000 1.142 347 T CB -0.380 68.569 68.868 0.136 0.000 0.866 347 T HN 0.579 nan 8.240 nan 0.000 0.444 348 A N 1.220 123.984 122.820 -0.093 0.000 1.903 348 A HA -0.015 4.304 4.320 -0.001 0.000 0.213 348 A C 2.236 179.385 177.584 -0.727 0.000 1.185 348 A CA 0.810 52.497 52.037 -0.585 0.000 0.628 348 A CB -0.517 18.337 19.000 -0.244 0.000 0.830 348 A HN 0.477 nan 8.150 nan 0.000 0.446 349 Q N -0.245 119.386 119.800 -0.280 0.000 2.297 349 Q HA -0.163 4.177 4.340 -0.001 0.000 0.208 349 Q C 2.259 178.156 176.000 -0.172 0.000 0.981 349 Q CA 1.085 56.797 55.803 -0.153 0.000 0.876 349 Q CB -0.414 28.321 28.738 -0.004 0.000 0.921 349 Q HN 0.702 nan 8.270 nan 0.000 0.446 350 A N 1.115 123.830 122.820 -0.175 0.000 1.877 350 A HA -0.192 4.128 4.320 -0.001 0.000 0.216 350 A C 1.711 179.282 177.584 -0.023 0.000 1.186 350 A CA 1.526 53.531 52.037 -0.054 0.000 0.620 350 A CB -0.712 18.312 19.000 0.041 0.000 0.822 350 A HN 0.621 nan 8.150 nan 0.000 0.443 351 Y N -2.901 117.414 120.300 0.025 0.000 2.468 351 Y HA 0.559 5.109 4.550 -0.000 0.000 0.268 351 Y C 1.688 177.602 175.900 0.022 0.000 1.177 351 Y CA -0.055 58.058 58.100 0.021 0.000 1.265 351 Y CB -0.042 38.431 38.460 0.021 0.000 1.103 351 Y HN 0.112 nan 8.280 nan 0.000 0.522 352 R N -0.144 120.207 120.500 -0.248 0.000 2.344 352 R HA 0.359 4.699 4.340 -0.001 0.000 0.209 352 R C 2.229 178.479 176.300 -0.083 0.000 0.886 352 R CA 0.631 56.654 56.100 -0.129 0.000 1.040 352 R CB 0.165 30.340 30.300 -0.207 0.000 1.114 352 R HN 0.373 nan 8.270 nan 0.000 0.547 353 A N 1.638 124.407 122.820 -0.085 0.000 1.917 353 A HA -0.223 4.097 4.320 -0.001 0.000 0.219 353 A C 1.643 179.205 177.584 -0.037 0.000 1.182 353 A CA 1.504 53.494 52.037 -0.078 0.000 0.633 353 A CB -0.229 18.730 19.000 -0.069 0.000 0.819 353 A HN 0.174 nan 8.150 nan 0.000 0.448 354 E N -0.477 119.722 120.200 -0.003 0.000 2.007 354 E HA -0.300 4.050 4.350 -0.001 0.000 0.203 354 E C 2.165 178.778 176.600 0.021 0.000 1.020 354 E CA 1.678 58.094 56.400 0.027 0.000 0.845 354 E CB -0.814 28.905 29.700 0.033 0.000 0.779 354 E HN 0.845 nan 8.360 nan 0.000 0.466 355 Q N 0.450 120.252 119.800 0.003 0.000 2.152 355 Q HA -0.171 4.168 4.340 -0.001 0.000 0.206 355 Q C 2.340 178.304 176.000 -0.060 0.000 0.985 355 Q CA 1.196 56.989 55.803 -0.017 0.000 0.863 355 Q CB -0.151 28.582 28.738 -0.007 0.000 0.904 355 Q HN 0.249 nan 8.270 nan 0.000 0.422 356 L N -0.588 120.572 121.223 -0.104 0.000 2.376 356 L HA -0.041 4.299 4.340 -0.001 0.000 0.219 356 L C 0.431 177.233 176.870 -0.114 0.000 1.133 356 L CA 0.168 54.880 54.840 -0.214 0.000 0.816 356 L CB 0.002 41.819 42.059 -0.403 0.000 0.933 356 L HN 0.210 nan 8.230 nan 0.000 0.449 357 Y N 0.393 120.594 120.300 -0.165 0.000 2.335 357 Y HA 0.182 4.732 4.550 -0.001 0.000 0.338 357 Y C 1.203 177.076 175.900 -0.044 0.000 0.977 357 Y CA -1.003 57.033 58.100 -0.105 0.000 1.114 357 Y CB 0.991 39.396 38.460 -0.091 0.000 1.182 357 Y HN -0.062 nan 8.280 nan 0.000 0.463 358 E N 3.075 122.979 120.200 -0.493 0.000 2.152 358 E HA 0.002 4.351 4.350 -0.001 0.000 0.192 358 E C 1.115 177.542 176.600 -0.289 0.000 0.983 358 E CA 0.800 57.000 56.400 -0.334 0.000 0.818 358 E CB -0.102 29.416 29.700 -0.302 0.000 0.758 358 E HN 0.879 nan 8.360 nan 0.000 0.467 359 G N 2.557 110.940 108.800 -0.694 0.000 2.485 359 G HA2 0.154 4.113 3.960 -0.001 0.000 0.260 359 G HA3 0.154 4.113 3.960 -0.001 0.000 0.260 359 G C -2.203 172.723 174.900 0.043 0.000 1.459 359 G CA -0.675 44.268 45.100 -0.261 0.000 1.060 359 G HN 0.017 nan 8.290 nan 0.000 0.546 360 P HA 0.257 nan 4.420 nan 0.000 0.280 360 P C 0.311 177.679 177.300 0.114 0.000 1.244 360 P CA 0.178 63.319 63.100 0.069 0.000 0.784 360 P CB 1.629 33.329 31.700 -0.001 0.000 0.913 361 A N 3.248 126.108 122.820 0.068 0.000 2.178 361 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 361 A C 1.224 178.802 177.584 -0.010 0.000 1.157 361 A CA 1.774 53.833 52.037 0.036 0.000 0.689 361 A CB -1.029 17.987 19.000 0.026 0.000 0.787 361 A HN 0.648 nan 8.150 nan 0.000 0.465 362 D N -1.365 119.028 120.400 -0.012 0.000 2.369 362 D HA 0.155 4.795 4.640 -0.001 0.000 0.211 362 D C 0.365 176.636 176.300 -0.048 0.000 1.077 362 D CA -0.106 53.876 54.000 -0.030 0.000 0.842 362 D CB -0.308 40.480 40.800 -0.020 0.000 0.947 362 D HN 0.341 nan 8.370 nan 0.000 0.509 363 D N -0.200 120.168 120.400 -0.054 0.000 2.370 363 D HA 0.210 4.850 4.640 -0.001 0.000 0.235 363 D C 1.541 177.771 176.300 -0.116 0.000 1.228 363 D CA 0.697 54.652 54.000 -0.076 0.000 0.884 363 D CB 0.933 41.701 40.800 -0.052 0.000 1.201 363 D HN 0.077 nan 8.370 nan 0.000 0.456 364 A N 2.495 125.256 122.820 -0.099 0.000 1.845 364 A HA -0.228 4.091 4.320 -0.001 0.000 0.215 364 A C 1.933 179.431 177.584 -0.144 0.000 1.195 364 A CA 1.518 53.499 52.037 -0.093 0.000 0.616 364 A CB -0.722 18.243 19.000 -0.059 0.000 0.832 364 A HN 0.751 nan 8.150 nan 0.000 0.443 365 N N -0.277 118.307 118.700 -0.194 0.000 2.043 365 N HA -0.207 4.533 4.740 -0.001 0.000 0.193 365 N C 1.910 177.158 175.510 -0.438 0.000 1.037 365 N CA 1.715 54.600 53.050 -0.275 0.000 0.851 365 N CB -0.830 37.494 38.487 -0.272 0.000 1.027 365 N HN 0.593 nan 8.380 nan 0.000 0.422 366 C N 1.555 120.426 119.300 -0.715 0.000 2.403 366 C HA -0.078 4.382 4.460 -0.001 0.000 0.279 366 C C 2.621 177.444 174.990 -0.279 0.000 1.269 366 C CA 0.322 58.960 59.018 -0.633 0.000 1.774 366 C CB -1.196 26.245 27.740 -0.498 0.000 1.993 366 C HN 0.312 nan 8.230 nan 0.000 0.496 367 I N 1.193 121.641 120.570 -0.202 0.000 2.406 367 I HA -0.032 4.137 4.170 -0.001 0.000 0.249 367 I C 2.847 178.908 176.117 -0.093 0.000 1.122 367 I CA 1.591 62.823 61.300 -0.114 0.000 1.431 367 I CB -1.780 36.170 38.000 -0.084 0.000 1.087 367 I HN 0.390 nan 8.210 nan 0.000 0.424 368 A N 1.373 124.130 122.820 -0.106 0.000 1.902 368 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 368 A C 2.363 179.920 177.584 -0.045 0.000 1.181 368 A CA 1.307 53.305 52.037 -0.066 0.000 0.623 368 A CB -0.727 18.236 19.000 -0.062 0.000 0.818 368 A HN 0.336 nan 8.150 nan 0.000 0.443 369 I N -0.340 120.189 120.570 -0.069 0.000 2.163 369 I HA -0.287 3.882 4.170 -0.001 0.000 0.243 369 I C 2.399 178.510 176.117 -0.010 0.000 1.085 369 I CA 1.413 62.706 61.300 -0.010 0.000 1.347 369 I CB -0.269 37.680 38.000 -0.085 0.000 1.044 369 I HN 0.231 nan 8.210 nan 0.000 0.408 370 K N 0.527 120.897 120.400 -0.051 0.000 2.113 370 K HA -0.174 4.145 4.320 -0.001 0.000 0.208 370 K C 1.414 178.000 176.600 -0.023 0.000 1.047 370 K CA 1.304 57.568 56.287 -0.039 0.000 0.928 370 K CB -0.383 32.092 32.500 -0.041 0.000 0.716 370 K HN 0.435 nan 8.250 nan 0.000 0.446 371 N N 0.050 118.736 118.700 -0.022 0.000 2.280 371 N HA -0.038 4.702 4.740 -0.001 0.000 0.192 371 N C 0.100 175.603 175.510 -0.011 0.000 1.109 371 N CA 0.102 53.143 53.050 -0.016 0.000 0.855 371 N CB 0.095 38.571 38.487 -0.019 0.000 0.974 371 N HN 0.116 nan 8.380 nan 0.000 0.482 372 C N 2.537 121.836 119.300 -0.002 0.000 3.886 372 C HA -0.191 4.268 4.460 -0.001 0.000 0.295 372 C C 0.099 175.083 174.990 -0.011 0.000 1.411 372 C CA -0.207 58.809 59.018 -0.003 0.000 2.059 372 C CB -2.268 25.462 27.740 -0.018 0.000 1.329 372 C HN 0.332 nan 8.230 nan 0.000 0.670 373 D N 1.539 121.934 120.400 -0.009 0.000 2.352 373 D HA 0.204 4.843 4.640 -0.001 0.000 0.245 373 D C -0.463 175.831 176.300 -0.011 0.000 1.224 373 D CA -1.330 52.662 54.000 -0.013 0.000 0.879 373 D CB 1.212 42.002 40.800 -0.018 0.000 1.057 373 D HN 0.392 nan 8.370 nan 0.000 0.491 374 P HA -0.075 nan 4.420 nan 0.000 0.223 374 P C 0.632 177.925 177.300 -0.013 0.000 1.151 374 P CA 0.646 63.737 63.100 -0.015 0.000 0.787 374 P CB 0.448 32.136 31.700 -0.020 0.000 0.788 375 K N -0.564 119.828 120.400 -0.013 0.000 2.487 375 K HA 0.237 4.557 4.320 -0.001 0.000 0.192 375 K C 1.313 177.906 176.600 -0.011 0.000 1.027 375 K CA -0.140 56.140 56.287 -0.013 0.000 1.054 375 K CB 0.130 32.621 32.500 -0.014 0.000 0.824 375 K HN 0.105 nan 8.250 nan 0.000 0.510 376 A N 1.308 124.121 122.820 -0.011 0.000 2.301 376 A HA 0.157 4.477 4.320 -0.001 0.000 0.287 376 A C -0.291 177.290 177.584 -0.005 0.000 1.274 376 A CA -0.566 51.464 52.037 -0.011 0.000 0.865 376 A CB 0.268 19.257 19.000 -0.018 0.000 1.324 376 A HN 0.043 nan 8.150 nan 0.000 0.508 377 D N 0.175 120.572 120.400 -0.004 0.000 2.382 377 D HA 0.260 4.900 4.640 -0.001 0.000 0.245 377 D C -0.124 176.186 176.300 0.017 0.000 1.120 377 D CA 0.006 54.010 54.000 0.006 0.000 0.890 377 D CB 0.817 41.623 40.800 0.009 0.000 1.201 377 D HN 0.283 nan 8.370 nan 0.000 0.433 378 L N 2.984 124.223 121.223 0.026 0.000 2.540 378 L HA -0.012 4.328 4.340 -0.001 0.000 0.276 378 L C -0.214 176.696 176.870 0.067 0.000 1.212 378 L CA 0.733 55.598 54.840 0.041 0.000 0.893 378 L CB 0.073 42.153 42.059 0.035 0.000 1.138 378 L HN 0.276 nan 8.230 nan 0.000 0.491 379 M N 7.557 127.214 119.600 0.095 0.000 1.949 379 M HA 0.307 4.787 4.480 -0.001 0.000 0.234 379 M C -1.158 175.275 176.300 0.222 0.000 0.855 379 M CA -0.130 55.253 55.300 0.138 0.000 0.800 379 M CB 0.777 33.440 32.600 0.104 0.000 1.697 379 M HN 0.491 nan 8.290 nan 0.000 0.357 380 L N 2.476 123.816 121.223 0.195 0.000 2.280 380 L HA 0.480 4.820 4.340 -0.001 0.000 0.287 380 L C -1.334 175.700 176.870 0.272 0.000 1.023 380 L CA -0.751 54.220 54.840 0.219 0.000 0.819 380 L CB 1.352 43.474 42.059 0.104 0.000 1.212 380 L HN 0.516 nan 8.230 nan 0.000 0.420 381 Y N 5.449 125.889 120.300 0.234 0.000 2.425 381 Y HA 0.376 4.925 4.550 -0.001 0.000 0.347 381 Y C -0.590 175.370 175.900 0.100 0.000 0.976 381 Y CA -0.564 57.640 58.100 0.175 0.000 1.190 381 Y CB 1.000 39.627 38.460 0.278 0.000 1.136 381 Y HN 0.275 nan 8.280 nan 0.000 0.517 382 V N 7.020 126.741 119.914 -0.322 0.000 2.389 382 V HA 0.046 4.166 4.120 -0.001 0.000 0.264 382 V C 0.978 176.683 176.094 -0.648 0.000 1.049 382 V CA 0.394 62.496 62.300 -0.329 0.000 0.932 382 V CB 0.779 32.514 31.823 -0.147 0.000 1.011 382 V HN 0.986 nan 8.190 nan 0.000 0.475 383 S N 4.201 119.623 115.700 -0.464 0.000 2.377 383 S HA 0.057 4.526 4.470 -0.001 0.000 0.223 383 S C 0.639 175.224 174.600 -0.026 0.000 1.030 383 S CA 1.160 59.191 58.200 -0.283 0.000 0.970 383 S CB 0.020 63.276 63.200 0.093 0.000 0.830 383 S HN 0.913 nan 8.310 nan 0.000 0.473 384 K N -1.099 119.354 120.400 0.089 0.000 2.685 384 K HA 0.297 4.616 4.320 -0.001 0.000 0.290 384 K C -1.516 175.184 176.600 0.166 0.000 1.018 384 K CA -0.950 55.410 56.287 0.122 0.000 0.860 384 K CB 0.366 32.953 32.500 0.145 0.000 1.498 384 K HN -0.015 nan 8.250 nan 0.000 0.390 385 M N 2.153 121.849 119.600 0.159 0.000 2.367 385 M HA 0.388 4.867 4.480 -0.001 0.000 0.339 385 M C -0.434 176.034 176.300 0.281 0.000 1.177 385 M CA -0.998 54.443 55.300 0.235 0.000 1.068 385 M CB 1.106 33.821 32.600 0.191 0.000 1.602 385 M HN 0.599 nan 8.290 nan 0.000 0.457 386 V N 2.666 122.728 119.914 0.246 0.000 2.588 386 V HA 0.697 4.817 4.120 -0.001 0.000 0.304 386 V C -2.754 173.218 176.094 -0.204 0.000 1.042 386 V CA -2.147 60.177 62.300 0.039 0.000 0.877 386 V CB 2.182 33.979 31.823 -0.043 0.000 0.996 386 V HN 0.629 nan 8.190 nan 0.000 0.425 387 P HA 0.333 nan 4.420 nan 0.000 0.268 387 P C -0.283 176.688 177.300 -0.549 0.000 1.204 387 P CA 0.464 63.102 63.100 -0.770 0.000 0.768 387 P CB 0.581 31.948 31.700 -0.555 0.000 0.842 388 T N -2.172 112.034 114.554 -0.580 0.000 2.838 388 T HA 0.443 4.792 4.350 -0.001 0.000 0.292 388 T C 0.554 175.055 174.700 -0.332 0.000 1.113 388 T CA -0.505 61.301 62.100 -0.490 0.000 1.008 388 T CB 1.048 69.447 68.868 -0.783 0.000 1.259 388 T HN 0.196 nan 8.240 nan 0.000 0.520 389 S N -0.850 114.712 115.700 -0.230 0.000 2.679 389 S HA 0.140 4.610 4.470 -0.001 0.000 0.233 389 S C 0.424 174.966 174.600 -0.097 0.000 0.951 389 S CA -0.310 57.806 58.200 -0.140 0.000 0.973 389 S CB -0.456 62.691 63.200 -0.089 0.000 0.778 389 S HN 0.726 nan 8.310 nan 0.000 0.477 390 D N 2.935 123.263 120.400 -0.121 0.000 2.881 390 D HA 0.084 4.724 4.640 -0.001 0.000 0.240 390 D C -0.592 175.699 176.300 -0.015 0.000 1.249 390 D CA -0.007 53.974 54.000 -0.031 0.000 0.839 390 D CB -0.434 40.387 40.800 0.035 0.000 1.042 390 D HN 0.098 nan 8.370 nan 0.000 0.475 391 K N -0.577 119.801 120.400 -0.037 0.000 5.910 391 K HA -0.142 4.178 4.320 -0.001 0.000 0.496 391 K C 0.983 177.578 176.600 -0.008 0.000 1.222 391 K CA 0.692 56.967 56.287 -0.019 0.000 1.422 391 K CB -2.363 30.139 32.500 0.004 0.000 1.780 391 K HN 0.416 nan 8.250 nan 0.000 0.384 392 G N 0.802 109.584 108.800 -0.031 0.000 2.262 392 G HA2 -0.414 3.545 3.960 -0.001 0.000 0.269 392 G HA3 -0.414 3.545 3.960 -0.001 0.000 0.269 392 G C 0.339 175.301 174.900 0.104 0.000 0.984 392 G CA 1.121 46.234 45.100 0.023 0.000 0.649 392 G HN 0.518 nan 8.290 nan 0.000 0.548 393 R N -0.444 120.085 120.500 0.048 0.000 2.641 393 R HA 0.558 4.898 4.340 -0.001 0.000 0.269 393 R C -0.236 176.104 176.300 0.066 0.000 1.074 393 R CA -0.318 55.874 56.100 0.155 0.000 1.133 393 R CB 0.007 30.393 30.300 0.142 0.000 1.029 393 R HN 0.234 nan 8.270 nan 0.000 0.488 394 F N 1.779 121.733 119.950 0.007 0.000 2.518 394 F HA 0.307 4.834 4.527 -0.000 0.000 0.323 394 F C -0.185 175.736 175.800 0.202 0.000 1.129 394 F CA -1.069 56.935 58.000 0.006 0.000 0.920 394 F CB 1.257 40.261 39.000 0.005 0.000 1.160 394 F HN 0.211 nan 8.300 nan 0.000 0.440 395 Y N 1.883 122.277 120.300 0.156 0.000 2.299 395 Y HA 0.567 5.117 4.550 -0.001 0.000 0.326 395 Y C 0.496 176.489 175.900 0.154 0.000 1.164 395 Y CA -2.019 56.157 58.100 0.126 0.000 1.234 395 Y CB 0.807 39.322 38.460 0.092 0.000 1.219 395 Y HN 0.604 nan 8.280 nan 0.000 0.497 396 A N 4.015 127.003 122.820 0.280 0.000 2.354 396 A HA 0.497 4.817 4.320 -0.001 0.000 0.269 396 A C -1.208 176.516 177.584 0.233 0.000 1.109 396 A CA -0.234 51.922 52.037 0.198 0.000 0.800 396 A CB -0.125 18.936 19.000 0.102 0.000 1.045 396 A HN 0.588 nan 8.150 nan 0.000 0.489 397 F N 1.749 121.736 119.950 0.062 0.000 2.520 397 F HA 0.713 5.240 4.527 -0.001 0.000 0.322 397 F C 0.320 176.132 175.800 0.020 0.000 1.103 397 F CA 0.530 58.561 58.000 0.052 0.000 0.926 397 F CB 1.822 40.856 39.000 0.057 0.000 1.154 397 F HN 1.010 nan 8.300 nan 0.000 0.453 398 G N 4.736 112.972 108.800 -0.941 0.000 2.348 398 G HA2 0.347 4.307 3.960 -0.001 0.000 0.296 398 G HA3 0.347 4.307 3.960 -0.001 0.000 0.296 398 G C -2.116 172.508 174.900 -0.460 0.000 1.258 398 G CA -1.227 43.489 45.100 -0.639 0.000 0.868 398 G HN 0.784 nan 8.290 nan 0.000 0.488 399 R N -0.655 119.750 120.500 -0.159 0.000 2.637 399 R HA 0.663 5.002 4.340 -0.001 0.000 0.291 399 R C -1.080 175.138 176.300 -0.137 0.000 0.963 399 R CA -0.566 55.396 56.100 -0.230 0.000 0.901 399 R CB 2.058 32.105 30.300 -0.421 0.000 1.160 399 R HN 0.340 nan 8.270 nan 0.000 0.457 400 V N 6.010 125.802 119.914 -0.202 0.000 2.334 400 V HA 0.198 4.317 4.120 -0.001 0.000 0.267 400 V C 0.224 176.226 176.094 -0.154 0.000 1.040 400 V CA -0.054 62.201 62.300 -0.075 0.000 0.866 400 V CB 0.851 32.636 31.823 -0.064 0.000 1.019 400 V HN 0.810 nan 8.190 nan 0.000 0.468 401 F N 2.720 122.670 119.950 0.000 0.000 2.387 401 F HA 0.467 4.994 4.527 -0.001 0.000 0.294 401 F C 1.278 177.060 175.800 -0.031 0.000 1.093 401 F CA 0.901 58.890 58.000 -0.018 0.000 1.420 401 F CB 0.317 39.308 39.000 -0.015 0.000 1.086 401 F HN 0.565 nan 8.300 nan 0.000 0.531 402 A N -0.800 122.108 122.820 0.147 0.000 2.549 402 A HA 0.646 4.965 4.320 -0.001 0.000 0.297 402 A C 0.163 177.769 177.584 0.037 0.000 1.061 402 A CA -0.241 51.834 52.037 0.062 0.000 0.690 402 A CB 0.535 19.558 19.000 0.038 0.000 1.287 402 A HN 0.655 nan 8.150 nan 0.000 0.402 403 G N -0.145 108.663 108.800 0.012 0.000 2.642 403 G HA2 0.392 4.352 3.960 -0.001 0.000 0.231 403 G HA3 0.392 4.352 3.960 -0.001 0.000 0.231 403 G C 0.179 175.079 174.900 0.000 0.000 1.338 403 G CA 0.488 45.591 45.100 0.006 0.000 0.883 403 G HN 2.839 nan 8.290 nan 0.000 0.570 404 T N -2.637 111.915 114.554 -0.002 0.000 3.109 404 T HA 0.584 4.934 4.350 -0.001 0.000 0.311 404 T C -0.237 174.459 174.700 -0.007 0.000 1.011 404 T CA 0.476 62.571 62.100 -0.009 0.000 1.026 404 T CB 1.349 70.208 68.868 -0.015 0.000 1.047 404 T HN 2.121 nan 8.240 nan 0.000 0.448 405 V N 4.379 124.288 119.914 -0.008 0.000 2.811 405 V HA 0.640 4.760 4.120 -0.001 0.000 0.302 405 V C -0.467 175.619 176.094 -0.013 0.000 1.063 405 V CA 0.322 62.617 62.300 -0.008 0.000 1.088 405 V CB 0.688 32.506 31.823 -0.008 0.000 0.982 405 V HN 1.032 nan 8.190 nan 0.000 0.485 406 K N 3.697 124.089 120.400 -0.013 0.000 2.469 406 K HA 0.480 4.800 4.320 -0.001 0.000 0.254 406 K C -0.688 175.902 176.600 -0.016 0.000 0.939 406 K CA -0.477 55.801 56.287 -0.015 0.000 0.812 406 K CB 2.004 34.496 32.500 -0.013 0.000 1.301 406 K HN 0.560 nan 8.250 nan 0.000 0.433 407 S N 1.457 117.146 115.700 -0.018 0.000 2.457 407 S HA 0.304 4.774 4.470 -0.001 0.000 0.294 407 S C 1.003 175.594 174.600 -0.015 0.000 1.201 407 S CA 0.744 58.933 58.200 -0.020 0.000 1.112 407 S CB 0.077 63.264 63.200 -0.021 0.000 1.018 407 S HN 0.962 nan 8.310 nan 0.000 0.511 408 G N 2.723 111.514 108.800 -0.014 0.000 2.697 408 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.200 408 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.200 408 G C 0.156 175.049 174.900 -0.012 0.000 1.106 408 G CA -0.144 44.949 45.100 -0.011 0.000 0.748 408 G HN 0.715 nan 8.290 nan 0.000 0.503 409 Q N 2.083 121.875 119.800 -0.013 0.000 2.394 409 Q HA 0.107 4.447 4.340 -0.001 0.000 0.347 409 Q C -0.061 175.928 176.000 -0.019 0.000 1.144 409 Q CA 0.799 56.593 55.803 -0.015 0.000 1.050 409 Q CB 0.240 28.971 28.738 -0.013 0.000 1.188 409 Q HN 0.533 nan 8.270 nan 0.000 0.406 410 K N 2.252 122.638 120.400 -0.023 0.000 2.144 410 K HA 0.474 4.794 4.320 -0.001 0.000 0.270 410 K C -0.813 175.766 176.600 -0.034 0.000 1.005 410 K CA -0.629 55.637 56.287 -0.035 0.000 0.932 410 K CB 1.495 33.973 32.500 -0.037 0.000 1.021 410 K HN 0.440 nan 8.250 nan 0.000 0.462 411 V N 1.662 121.547 119.914 -0.049 0.000 3.159 411 V HA 0.386 4.505 4.120 -0.001 0.000 0.308 411 V C -0.671 175.386 176.094 -0.062 0.000 1.190 411 V CA -1.188 61.088 62.300 -0.040 0.000 1.037 411 V CB 2.117 33.924 31.823 -0.026 0.000 1.060 411 V HN 0.674 nan 8.190 nan 0.000 0.437 412 R N 1.716 122.186 120.500 -0.050 0.000 2.369 412 R HA 0.532 4.872 4.340 -0.001 0.000 0.310 412 R C -0.717 175.533 176.300 -0.084 0.000 1.141 412 R CA -0.259 55.791 56.100 -0.085 0.000 1.116 412 R CB 0.423 30.679 30.300 -0.074 0.000 1.135 412 R HN 0.580 nan 8.270 nan 0.000 0.529 413 I N 3.558 124.087 120.570 -0.068 0.000 2.578 413 I HA -0.065 4.105 4.170 -0.001 0.000 0.286 413 I C 0.419 176.499 176.117 -0.061 0.000 1.126 413 I CA 0.566 61.852 61.300 -0.024 0.000 1.380 413 I CB 0.283 38.296 38.000 0.022 0.000 1.408 413 I HN 0.333 nan 8.210 nan 0.000 0.532 414 Q N 6.147 125.904 119.800 -0.072 0.000 2.431 414 Q HA 0.363 4.702 4.340 -0.001 0.000 0.249 414 Q C 0.527 176.542 176.000 0.024 0.000 1.025 414 Q CA -0.576 55.155 55.803 -0.121 0.000 0.835 414 Q CB 1.607 30.357 28.738 0.021 0.000 1.207 414 Q HN 0.821 nan 8.270 nan 0.000 0.490 415 G N 2.993 111.816 108.800 0.038 0.000 2.771 415 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.242 415 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.242 415 G C -1.599 173.286 174.900 -0.025 0.000 1.233 415 G CA -0.884 44.220 45.100 0.006 0.000 0.858 415 G HN 0.383 nan 8.290 nan 0.000 0.591 416 P HA -0.180 nan 4.420 nan 0.000 0.218 416 P C 1.255 178.478 177.300 -0.128 0.000 1.146 416 P CA 1.779 64.762 63.100 -0.195 0.000 0.820 416 P CB 0.066 31.478 31.700 -0.480 0.000 0.778 417 N N -2.448 116.191 118.700 -0.101 0.000 2.278 417 N HA -0.129 4.611 4.740 -0.001 0.000 0.181 417 N C 0.613 176.105 175.510 -0.030 0.000 1.023 417 N CA -0.092 52.921 53.050 -0.062 0.000 0.862 417 N CB -1.558 36.906 38.487 -0.039 0.000 1.003 417 N HN -0.023 nan 8.380 nan 0.000 0.431 418 Y N 1.554 121.793 120.300 -0.101 0.000 3.199 418 Y HA 0.022 4.571 4.550 -0.002 0.000 0.352 418 Y C -0.598 175.221 175.900 -0.136 0.000 1.257 418 Y CA -0.133 57.910 58.100 -0.096 0.000 1.562 418 Y CB 0.260 38.681 38.460 -0.065 0.000 1.186 418 Y HN -0.054 nan 8.280 nan 0.000 0.628 419 V N 8.131 127.429 119.914 -1.027 0.000 2.851 419 V HA 0.184 4.304 4.120 -0.001 0.000 0.307 419 V C -1.921 173.547 176.094 -1.045 0.000 1.129 419 V CA -1.486 60.249 62.300 -0.941 0.000 0.932 419 V CB 2.074 33.621 31.823 -0.461 0.000 1.024 419 V HN 0.612 nan 8.190 nan 0.000 0.426 420 P HA -0.119 nan 4.420 nan 0.000 0.221 420 P C 1.294 178.533 177.300 -0.102 0.000 1.141 420 P CA 1.560 64.504 63.100 -0.260 0.000 0.794 420 P CB 0.295 31.979 31.700 -0.027 0.000 0.764 421 G N -2.150 106.567 108.800 -0.138 0.000 2.796 421 G HA2 0.009 3.968 3.960 -0.001 0.000 0.210 421 G HA3 0.009 3.968 3.960 -0.001 0.000 0.210 421 G C 0.256 175.132 174.900 -0.040 0.000 1.146 421 G CA 0.108 45.170 45.100 -0.062 0.000 0.779 421 G HN 0.191 nan 8.290 nan 0.000 0.535 422 K N 0.705 121.073 120.400 -0.053 0.000 2.244 422 K HA 0.453 4.772 4.320 -0.001 0.000 0.260 422 K C 0.733 177.377 176.600 0.072 0.000 0.951 422 K CA -0.829 55.455 56.287 -0.006 0.000 0.826 422 K CB 1.978 34.461 32.500 -0.029 0.000 1.108 422 K HN -0.300 nan 8.250 nan 0.000 0.433 423 K N 1.244 121.670 120.400 0.043 0.000 2.366 423 K HA -0.203 4.116 4.320 -0.001 0.000 0.202 423 K C -0.433 176.188 176.600 0.035 0.000 1.045 423 K CA 0.873 57.178 56.287 0.030 0.000 0.934 423 K CB -0.390 32.094 32.500 -0.027 0.000 0.746 423 K HN 0.817 nan 8.250 nan 0.000 0.470 424 D N 1.446 121.882 120.400 0.059 0.000 2.887 424 D HA -0.230 4.410 4.640 -0.001 0.000 0.219 424 D C -0.442 175.866 176.300 0.014 0.000 1.171 424 D CA 1.208 55.250 54.000 0.070 0.000 0.618 424 D CB -0.594 40.310 40.800 0.173 0.000 1.058 424 D HN 0.261 nan 8.370 nan 0.000 0.412 425 D N -1.207 119.131 120.400 -0.103 0.000 2.699 425 D HA -0.203 4.437 4.640 -0.001 0.000 0.239 425 D C 0.389 176.407 176.300 -0.470 0.000 1.136 425 D CA 0.406 54.241 54.000 -0.274 0.000 0.668 425 D CB -1.041 39.680 40.800 -0.131 0.000 1.060 425 D HN 0.477 nan 8.370 nan 0.000 0.429 426 L N -1.093 119.867 121.223 -0.437 0.000 2.469 426 L HA 0.359 4.699 4.340 -0.001 0.000 0.172 426 L C 0.536 176.969 176.870 -0.728 0.000 1.042 426 L CA 0.184 54.728 54.840 -0.494 0.000 0.992 426 L CB 0.192 41.953 42.059 -0.497 0.000 1.556 426 L HN 0.092 nan 8.230 nan 0.000 0.497 427 F N -0.301 119.502 119.950 -0.246 0.000 2.925 427 F HA 0.309 4.837 4.527 0.001 0.000 0.347 427 F C -0.618 174.994 175.800 -0.315 0.000 1.187 427 F CA -0.297 57.545 58.000 -0.264 0.000 1.189 427 F CB 0.741 39.595 39.000 -0.243 0.000 1.479 427 F HN 0.023 nan 8.300 nan 0.000 0.645 428 I N 4.363 124.838 120.570 -0.157 0.000 2.347 428 I HA 0.349 4.519 4.170 -0.001 0.000 0.283 428 I C -0.198 175.793 176.117 -0.211 0.000 1.058 428 I CA -0.325 60.880 61.300 -0.159 0.000 1.202 428 I CB 0.932 38.859 38.000 -0.121 0.000 1.386 428 I HN 0.432 nan 8.210 nan 0.000 0.475 429 K N 3.778 124.020 120.400 -0.264 0.000 2.261 429 K HA 0.858 5.178 4.320 -0.001 0.000 0.242 429 K C -0.916 175.604 176.600 -0.134 0.000 1.083 429 K CA -0.710 55.408 56.287 -0.282 0.000 0.880 429 K CB 1.803 33.936 32.500 -0.611 0.000 1.353 429 K HN 0.422 nan 8.250 nan 0.000 0.486 430 A N 1.323 124.098 122.820 -0.074 0.000 2.287 430 A HA 0.478 4.798 4.320 -0.001 0.000 0.317 430 A C -0.720 176.865 177.584 0.001 0.000 1.220 430 A CA -0.654 51.367 52.037 -0.027 0.000 0.835 430 A CB 0.103 19.095 19.000 -0.012 0.000 1.180 430 A HN 0.522 nan 8.150 nan 0.000 0.500 431 I N 3.206 123.773 120.570 -0.005 0.000 2.680 431 I HA -0.090 4.079 4.170 -0.001 0.000 0.286 431 I C 1.694 177.808 176.117 -0.005 0.000 1.144 431 I CA 0.802 62.101 61.300 -0.001 0.000 1.370 431 I CB -0.218 37.775 38.000 -0.012 0.000 1.420 431 I HN 1.031 nan 8.210 nan 0.000 0.540 432 Q N 6.825 126.626 119.800 0.002 0.000 2.234 432 Q HA -0.073 4.267 4.340 -0.001 0.000 0.206 432 Q C -0.065 175.915 176.000 -0.033 0.000 0.980 432 Q CA 1.361 57.160 55.803 -0.007 0.000 0.869 432 Q CB 0.474 29.213 28.738 0.003 0.000 0.912 432 Q HN 0.615 nan 8.270 nan 0.000 0.436 433 R N -1.208 119.256 120.500 -0.059 0.000 2.728 433 R HA 0.331 4.671 4.340 -0.001 0.000 0.259 433 R C -1.905 174.342 176.300 -0.087 0.000 1.057 433 R CA -0.547 55.509 56.100 -0.073 0.000 0.908 433 R CB 1.763 32.003 30.300 -0.100 0.000 1.259 433 R HN -0.102 nan 8.270 nan 0.000 0.472 434 V N 2.825 122.703 119.914 -0.061 0.000 2.547 434 V HA 0.681 4.800 4.120 -0.001 0.000 0.299 434 V C -0.062 176.005 176.094 -0.045 0.000 1.040 434 V CA -0.537 61.732 62.300 -0.050 0.000 0.913 434 V CB 1.760 33.565 31.823 -0.030 0.000 0.992 434 V HN 0.592 nan 8.190 nan 0.000 0.449 435 V N 2.646 122.541 119.914 -0.031 0.000 3.159 435 V HA 0.666 4.786 4.120 -0.001 0.000 0.308 435 V C -0.967 175.159 176.094 0.053 0.000 1.190 435 V CA -1.076 61.227 62.300 0.004 0.000 1.037 435 V CB 2.111 33.929 31.823 -0.009 0.000 1.060 435 V HN 0.607 nan 8.190 nan 0.000 0.437 436 L N 2.830 124.099 121.223 0.075 0.000 2.292 436 L HA 0.538 4.877 4.340 -0.001 0.000 0.284 436 L C 0.026 176.981 176.870 0.141 0.000 1.065 436 L CA -0.526 54.375 54.840 0.101 0.000 0.806 436 L CB 1.540 43.654 42.059 0.092 0.000 1.175 436 L HN 0.536 nan 8.230 nan 0.000 0.431 437 M N 5.082 124.785 119.600 0.172 0.000 2.664 437 M HA 0.255 4.735 4.480 -0.001 0.000 0.332 437 M C -0.417 175.957 176.300 0.123 0.000 1.354 437 M CA 0.075 55.479 55.300 0.173 0.000 1.399 437 M CB 0.530 33.277 32.600 0.245 0.000 1.224 437 M HN 0.518 nan 8.290 nan 0.000 0.479 438 M N 2.223 121.896 119.600 0.121 0.000 3.422 438 M HA 0.261 4.740 4.480 -0.001 0.000 0.248 438 M C 1.190 177.519 176.300 0.048 0.000 1.433 438 M CA 0.087 55.455 55.300 0.113 0.000 1.592 438 M CB -1.092 31.610 32.600 0.169 0.000 1.078 438 M HN 0.900 nan 8.290 nan 0.000 0.578 439 G N 2.950 111.738 108.800 -0.020 0.000 2.574 439 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.301 439 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.301 439 G C 0.869 175.631 174.900 -0.229 0.000 1.166 439 G CA 0.228 45.258 45.100 -0.118 0.000 0.971 439 G HN 0.630 nan 8.290 nan 0.000 0.542 440 R N -0.005 120.215 120.500 -0.468 0.000 2.297 440 R HA 0.313 4.653 4.340 -0.001 0.000 0.197 440 R C 0.038 175.921 176.300 -0.695 0.000 0.943 440 R CA 0.386 56.094 56.100 -0.652 0.000 1.038 440 R CB 0.048 29.816 30.300 -0.887 0.000 0.957 440 R HN 0.242 nan 8.270 nan 0.000 0.484 441 F N 0.032 119.981 119.950 -0.003 0.000 2.538 441 F HA 0.386 4.913 4.527 -0.001 0.000 0.325 441 F C 0.311 176.141 175.800 0.050 0.000 1.066 441 F CA -1.785 56.226 58.000 0.018 0.000 0.946 441 F CB 1.268 40.276 39.000 0.014 0.000 1.199 441 F HN -0.347 nan 8.300 nan 0.000 0.473 442 V N -0.851 119.231 119.914 0.280 0.000 2.815 442 V HA 0.897 5.017 4.120 -0.001 0.000 0.314 442 V C -1.215 174.977 176.094 0.163 0.000 1.064 442 V CA -0.754 61.675 62.300 0.215 0.000 0.952 442 V CB 1.882 33.865 31.823 0.267 0.000 1.020 442 V HN 0.748 nan 8.190 nan 0.000 0.439 443 E N 3.177 123.448 120.200 0.119 0.000 2.260 443 E HA 0.615 4.965 4.350 -0.001 0.000 0.266 443 E C -3.027 173.603 176.600 0.050 0.000 0.887 443 E CA -2.228 54.219 56.400 0.078 0.000 0.777 443 E CB 2.437 32.181 29.700 0.073 0.000 1.205 443 E HN 0.636 nan 8.360 nan 0.000 0.414 444 P HA 0.126 nan 4.420 nan 0.000 0.265 444 P C -0.680 176.623 177.300 0.006 0.000 1.193 444 P CA 0.265 63.369 63.100 0.007 0.000 0.765 444 P CB 0.441 32.142 31.700 0.003 0.000 0.823 445 I N 1.786 122.354 120.570 -0.004 0.000 2.969 445 I HA 0.242 4.411 4.170 -0.001 0.000 0.307 445 I C 0.325 176.434 176.117 -0.012 0.000 1.149 445 I CA -0.791 60.507 61.300 -0.004 0.000 1.008 445 I CB 2.502 40.502 38.000 0.000 0.000 1.232 445 I HN 0.220 nan 8.210 nan 0.000 0.435 446 D N 2.701 123.093 120.400 -0.013 0.000 2.146 446 D HA -0.001 4.638 4.640 -0.001 0.000 0.209 446 D C -0.333 175.957 176.300 -0.017 0.000 0.973 446 D CA 1.216 55.207 54.000 -0.015 0.000 0.860 446 D CB 0.317 41.107 40.800 -0.015 0.000 1.015 446 D HN 0.693 nan 8.370 nan 0.000 0.465 447 D N -1.246 119.143 120.400 -0.017 0.000 2.652 447 D HA 0.327 4.967 4.640 -0.001 0.000 0.285 447 D C -0.987 175.302 176.300 -0.019 0.000 1.173 447 D CA -0.658 53.331 54.000 -0.018 0.000 0.981 447 D CB 2.500 43.289 40.800 -0.018 0.000 1.440 447 D HN 0.117 nan 8.370 nan 0.000 0.485 448 C N 1.277 120.564 119.300 -0.021 0.000 2.705 448 C HA 0.475 4.935 4.460 -0.001 0.000 0.369 448 C C -2.888 172.085 174.990 -0.029 0.000 1.069 448 C CA -0.952 58.051 59.018 -0.026 0.000 1.260 448 C CB 1.414 29.138 27.740 -0.027 0.000 1.764 448 C HN 0.463 nan 8.230 nan 0.000 0.469 449 P HA 0.349 nan 4.420 nan 0.000 0.276 449 P C -0.076 177.197 177.300 -0.044 0.000 1.244 449 P CA 0.205 63.285 63.100 -0.033 0.000 0.801 449 P CB 0.918 32.598 31.700 -0.033 0.000 1.006 450 A N 1.126 123.922 122.820 -0.039 0.000 2.586 450 A HA 0.352 4.672 4.320 -0.001 0.000 0.231 450 A C 1.497 179.028 177.584 -0.088 0.000 1.055 450 A CA 1.136 53.140 52.037 -0.056 0.000 0.756 450 A CB -1.575 17.410 19.000 -0.025 0.000 0.988 450 A HN 0.913 nan 8.150 nan 0.000 0.509 451 G N 1.472 110.178 108.800 -0.158 0.000 2.232 451 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.226 451 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.226 451 G C 0.119 174.919 174.900 -0.167 0.000 0.996 451 G CA 0.388 45.385 45.100 -0.172 0.000 0.626 451 G HN 0.951 nan 8.290 nan 0.000 0.509 452 N N -0.180 118.434 118.700 -0.144 0.000 2.476 452 N HA 0.729 5.468 4.740 -0.001 0.000 0.276 452 N C -0.460 174.962 175.510 -0.146 0.000 1.204 452 N CA -0.459 52.526 53.050 -0.109 0.000 0.974 452 N CB 1.052 39.501 38.487 -0.063 0.000 1.204 452 N HN 0.134 nan 8.380 nan 0.000 0.543 453 I N 0.989 121.500 120.570 -0.099 0.000 2.392 453 I HA 0.501 4.671 4.170 -0.001 0.000 0.295 453 I C -0.629 175.433 176.117 -0.092 0.000 0.985 453 I CA -0.306 60.913 61.300 -0.135 0.000 1.221 453 I CB 0.873 38.854 38.000 -0.031 0.000 1.366 453 I HN 0.422 nan 8.210 nan 0.000 0.467 454 I N 3.925 124.394 120.570 -0.169 0.000 3.066 454 I HA 0.726 4.896 4.170 -0.001 0.000 0.307 454 I C -0.668 175.430 176.117 -0.032 0.000 1.366 454 I CA -0.219 61.048 61.300 -0.055 0.000 0.972 454 I CB 2.287 40.257 38.000 -0.051 0.000 1.307 454 I HN 0.518 nan 8.210 nan 0.000 0.470 455 G N 4.305 113.149 108.800 0.073 0.000 2.448 455 G HA2 0.715 4.674 3.960 -0.001 0.000 0.324 455 G HA3 0.715 4.674 3.960 -0.001 0.000 0.324 455 G C -1.863 173.058 174.900 0.036 0.000 1.203 455 G CA -0.581 44.600 45.100 0.135 0.000 0.954 455 G HN 0.554 nan 8.290 nan 0.000 0.480 456 L N 1.706 122.950 121.223 0.034 0.000 2.376 456 L HA 0.518 4.858 4.340 -0.001 0.000 0.275 456 L C -0.004 176.805 176.870 -0.102 0.000 0.987 456 L CA -1.280 53.538 54.840 -0.038 0.000 0.828 456 L CB 2.120 44.180 42.059 0.002 0.000 1.249 456 L HN 0.452 nan 8.230 nan 0.000 0.409 457 V N 0.325 120.085 119.914 -0.257 0.000 2.370 457 V HA 0.925 5.045 4.120 -0.001 0.000 0.279 457 V C 0.614 176.662 176.094 -0.076 0.000 1.029 457 V CA 0.655 62.763 62.300 -0.320 0.000 0.870 457 V CB 0.851 32.282 31.823 -0.655 0.000 0.984 457 V HN 1.001 nan 8.190 nan 0.000 0.451 458 G N 4.105 112.926 108.800 0.034 0.000 2.200 458 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.145 458 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.145 458 G C -0.095 174.900 174.900 0.158 0.000 1.021 458 G CA -0.033 45.117 45.100 0.083 0.000 0.720 458 G HN 1.017 nan 8.290 nan 0.000 0.494 459 I N 0.468 121.115 120.570 0.127 0.000 3.966 459 I HA 0.201 4.371 4.170 -0.001 0.000 0.324 459 I C 1.370 177.482 176.117 -0.008 0.000 1.517 459 I CA -0.292 61.109 61.300 0.170 0.000 1.117 459 I CB 0.542 38.619 38.000 0.129 0.000 1.190 459 I HN -0.102 nan 8.210 nan 0.000 0.466 460 D N 2.244 122.613 120.400 -0.051 0.000 2.127 460 D HA -0.301 4.339 4.640 -0.001 0.000 0.190 460 D C 2.202 178.334 176.300 -0.280 0.000 1.000 460 D CA 2.069 56.009 54.000 -0.100 0.000 0.839 460 D CB -0.078 40.703 40.800 -0.031 0.000 0.955 460 D HN 0.586 nan 8.370 nan 0.000 0.446 461 Q N -0.387 119.129 119.800 -0.474 0.000 2.163 461 Q HA -0.065 4.275 4.340 -0.001 0.000 0.198 461 Q C 1.643 177.235 176.000 -0.680 0.000 0.954 461 Q CA 0.744 56.196 55.803 -0.585 0.000 0.851 461 Q CB -0.451 27.877 28.738 -0.683 0.000 0.928 461 Q HN 0.243 nan 8.270 nan 0.000 0.459 462 F N 0.735 120.416 119.950 -0.448 0.000 2.451 462 F HA 0.178 4.704 4.527 -0.001 0.000 0.299 462 F C 0.609 176.000 175.800 -0.682 0.000 1.101 462 F CA 0.325 57.787 58.000 -0.896 0.000 1.436 462 F CB -0.080 38.498 39.000 -0.703 0.000 1.074 462 F HN 0.117 nan 8.300 nan 0.000 0.553 463 L N -0.738 120.339 121.223 -0.243 0.000 2.518 463 L HA 0.637 4.976 4.340 -0.001 0.000 0.257 463 L C -1.598 175.188 176.870 -0.140 0.000 0.980 463 L CA -0.919 53.830 54.840 -0.152 0.000 0.837 463 L CB 2.118 44.130 42.059 -0.078 0.000 1.410 463 L HN -0.166 nan 8.230 nan 0.000 0.410 464 L N 4.372 125.542 121.223 -0.088 0.000 2.516 464 L HA 0.565 4.905 4.340 -0.001 0.000 0.267 464 L C -0.224 176.665 176.870 0.031 0.000 0.957 464 L CA -0.761 54.039 54.840 -0.067 0.000 0.860 464 L CB 1.862 43.884 42.059 -0.061 0.000 1.265 464 L HN 0.767 nan 8.230 nan 0.000 0.403 465 K N -0.408 120.010 120.400 0.030 0.000 4.374 465 K HA -0.151 4.168 4.320 -0.001 0.000 0.507 465 K C 0.033 176.647 176.600 0.024 0.000 1.823 465 K CA 1.058 57.394 56.287 0.081 0.000 0.896 465 K CB -0.916 31.700 32.500 0.194 0.000 1.416 465 K HN 0.810 nan 8.250 nan 0.000 0.485 466 T N -0.591 113.980 114.554 0.028 0.000 2.856 466 T HA 0.515 4.864 4.350 -0.001 0.000 0.306 466 T C 0.589 175.240 174.700 -0.081 0.000 1.062 466 T CA 0.187 62.251 62.100 -0.061 0.000 1.083 466 T CB 1.319 70.197 68.868 0.016 0.000 0.984 466 T HN 0.926 nan 8.240 nan 0.000 0.542 467 G N -0.045 108.689 108.800 -0.111 0.000 2.489 467 G HA2 0.566 4.526 3.960 -0.001 0.000 0.305 467 G HA3 0.566 4.526 3.960 -0.001 0.000 0.305 467 G C -1.366 173.540 174.900 0.010 0.000 1.311 467 G CA -0.809 44.263 45.100 -0.046 0.000 0.813 467 G HN 0.888 nan 8.290 nan 0.000 0.480 468 T N 0.163 114.747 114.554 0.049 0.000 3.032 468 T HA 0.540 4.890 4.350 -0.001 0.000 0.312 468 T C -1.429 173.314 174.700 0.072 0.000 1.078 468 T CA -0.359 61.803 62.100 0.103 0.000 1.028 468 T CB 1.631 70.589 68.868 0.150 0.000 1.091 468 T HN 0.370 nan 8.240 nan 0.000 0.457 469 L N 3.929 125.199 121.223 0.078 0.000 2.294 469 L HA 0.646 4.986 4.340 -0.001 0.000 0.283 469 L C 0.702 177.613 176.870 0.068 0.000 1.015 469 L CA -0.239 54.631 54.840 0.050 0.000 0.831 469 L CB 1.362 43.442 42.059 0.035 0.000 1.217 469 L HN 0.902 nan 8.230 nan 0.000 0.420 470 T N -2.108 112.481 114.554 0.059 0.000 2.930 470 T HA 0.458 4.808 4.350 -0.001 0.000 0.290 470 T C 0.422 175.146 174.700 0.041 0.000 1.052 470 T CA -0.441 61.702 62.100 0.072 0.000 1.017 470 T CB 1.869 70.806 68.868 0.114 0.000 1.137 470 T HN 0.292 nan 8.240 nan 0.000 0.511 471 T N 0.191 114.769 114.554 0.040 0.000 3.040 471 T HA 0.370 4.720 4.350 -0.001 0.000 0.266 471 T C 0.528 175.244 174.700 0.027 0.000 1.005 471 T CA -0.032 62.081 62.100 0.022 0.000 0.906 471 T CB -0.151 68.726 68.868 0.014 0.000 1.082 471 T HN 0.750 nan 8.240 nan 0.000 0.531 472 S N 0.163 115.891 115.700 0.047 0.000 2.690 472 S HA 0.427 4.897 4.470 -0.001 0.000 0.291 472 S C 0.916 175.563 174.600 0.079 0.000 1.138 472 S CA -0.531 57.700 58.200 0.052 0.000 1.013 472 S CB 1.796 65.028 63.200 0.052 0.000 1.053 472 S HN 0.412 nan 8.310 nan 0.000 0.539 473 E N 0.460 120.703 120.200 0.072 0.000 2.216 473 E HA -0.039 4.311 4.350 -0.001 0.000 0.192 473 E C 1.497 178.168 176.600 0.118 0.000 0.973 473 E CA 1.205 57.662 56.400 0.094 0.000 0.851 473 E CB -0.112 29.625 29.700 0.061 0.000 0.804 473 E HN 0.858 nan 8.360 nan 0.000 0.477 474 T N -1.279 113.329 114.554 0.089 0.000 3.088 474 T HA 0.252 4.602 4.350 -0.001 0.000 0.259 474 T C 0.864 175.647 174.700 0.138 0.000 1.122 474 T CA 0.257 62.406 62.100 0.082 0.000 1.095 474 T CB 0.059 68.944 68.868 0.028 0.000 0.930 474 T HN 0.187 nan 8.240 nan 0.000 0.508 475 A N 2.290 125.213 122.820 0.173 0.000 2.526 475 A HA 0.278 4.598 4.320 -0.001 0.000 0.267 475 A C 0.295 178.097 177.584 0.363 0.000 1.095 475 A CA -0.104 52.087 52.037 0.256 0.000 0.775 475 A CB -0.433 18.687 19.000 0.200 0.000 1.036 475 A HN 0.541 nan 8.150 nan 0.000 0.510 476 H N 1.576 120.780 119.070 0.224 0.000 2.211 476 H HA 0.236 4.792 4.556 -0.001 0.000 0.327 476 H C 0.779 176.109 175.328 0.003 0.000 1.722 476 H CA -0.394 55.626 56.048 -0.047 0.000 1.437 476 H CB 0.344 29.853 29.762 -0.422 0.000 1.716 476 H HN 0.799 nan 8.280 nan 0.000 0.618 477 N N -0.236 118.435 118.700 -0.048 0.000 2.477 477 N HA 0.276 5.015 4.740 -0.001 0.000 0.284 477 N C -0.359 175.110 175.510 -0.067 0.000 1.182 477 N CA -0.517 52.539 53.050 0.010 0.000 0.949 477 N CB 1.407 39.887 38.487 -0.012 0.000 1.204 477 N HN 0.260 nan 8.380 nan 0.000 0.526 478 M N 0.732 120.353 119.600 0.035 0.000 2.471 478 M HA 0.191 4.671 4.480 -0.001 0.000 0.309 478 M C 0.310 176.585 176.300 -0.041 0.000 1.186 478 M CA -0.519 54.767 55.300 -0.024 0.000 1.008 478 M CB 1.008 33.581 32.600 -0.046 0.000 1.551 478 M HN 0.318 nan 8.290 nan 0.000 0.477 479 K N 2.556 122.887 120.400 -0.116 0.000 2.253 479 K HA 0.156 4.476 4.320 -0.001 0.000 0.273 479 K C -0.886 175.731 176.600 0.029 0.000 1.118 479 K CA -0.202 56.042 56.287 -0.071 0.000 1.100 479 K CB -0.449 31.990 32.500 -0.102 0.000 0.932 479 K HN 0.509 nan 8.250 nan 0.000 0.433 480 V N 1.114 121.091 119.914 0.105 0.000 3.096 480 V HA 0.475 4.594 4.120 -0.001 0.000 0.319 480 V C 0.303 176.480 176.094 0.138 0.000 1.103 480 V CA -1.384 61.037 62.300 0.202 0.000 1.016 480 V CB 1.536 33.464 31.823 0.176 0.000 1.090 480 V HN 0.555 nan 8.190 nan 0.000 0.449 481 M N 2.318 122.024 119.600 0.176 0.000 2.249 481 M HA 0.289 4.769 4.480 -0.001 0.000 0.340 481 M C 0.113 176.526 176.300 0.189 0.000 1.166 481 M CA 0.090 55.513 55.300 0.205 0.000 1.115 481 M CB 0.244 33.001 32.600 0.262 0.000 1.606 481 M HN 0.603 nan 8.290 nan 0.000 0.448 482 K N 1.559 122.080 120.400 0.202 0.000 2.090 482 K HA 0.496 4.816 4.320 -0.001 0.000 0.249 482 K C -0.680 176.127 176.600 0.345 0.000 0.995 482 K CA -0.252 56.094 56.287 0.099 0.000 0.914 482 K CB 0.752 33.162 32.500 -0.150 0.000 1.057 482 K HN 0.327 nan 8.250 nan 0.000 0.462 483 F N -0.339 119.562 119.950 -0.082 0.000 2.461 483 F HA 0.267 4.794 4.527 -0.001 0.000 0.332 483 F C 0.829 176.658 175.800 0.049 0.000 1.073 483 F CA -1.136 56.890 58.000 0.043 0.000 1.017 483 F CB 1.438 40.448 39.000 0.017 0.000 1.301 483 F HN 0.257 nan 8.300 nan 0.000 0.492 484 S N 0.634 116.437 115.700 0.171 0.000 2.498 484 S HA 0.551 5.021 4.470 -0.001 0.000 0.324 484 S C -0.335 174.306 174.600 0.069 0.000 1.071 484 S CA -0.512 57.799 58.200 0.184 0.000 1.113 484 S CB 0.420 63.710 63.200 0.150 0.000 0.976 484 S HN 0.326 nan 8.310 nan 0.000 0.462 485 V N 3.375 123.340 119.914 0.086 0.000 3.276 485 V HA 0.313 4.432 4.120 -0.001 0.000 0.319 485 V C 0.479 176.611 176.094 0.064 0.000 1.427 485 V CA -0.288 62.057 62.300 0.076 0.000 1.102 485 V CB 0.002 31.878 31.823 0.087 0.000 1.020 485 V HN 0.690 nan 8.190 nan 0.000 0.456 486 S N 1.546 117.283 115.700 0.062 0.000 2.608 486 S HA 0.573 5.043 4.470 -0.001 0.000 0.291 486 S C -2.687 171.944 174.600 0.052 0.000 1.146 486 S CA -1.030 57.199 58.200 0.049 0.000 1.043 486 S CB 1.585 64.808 63.200 0.038 0.000 1.037 486 S HN 0.121 nan 8.310 nan 0.000 0.520 487 P HA 0.134 nan 4.420 nan 0.000 0.275 487 P C 0.383 177.687 177.300 0.007 0.000 1.276 487 P CA -0.182 62.944 63.100 0.043 0.000 0.782 487 P CB 0.318 32.047 31.700 0.049 0.000 0.851 488 V N 2.221 122.140 119.914 0.009 0.000 3.477 488 V HA 0.253 4.373 4.120 -0.001 0.000 0.297 488 V C 0.266 176.343 176.094 -0.028 0.000 1.433 488 V CA -0.113 62.177 62.300 -0.016 0.000 1.052 488 V CB 0.064 31.890 31.823 0.004 0.000 0.895 488 V HN 0.225 nan 8.190 nan 0.000 0.438 489 V N -0.114 119.785 119.914 -0.025 0.000 2.971 489 V HA 0.889 5.009 4.120 -0.001 0.000 0.309 489 V C -1.077 175.008 176.094 -0.015 0.000 1.130 489 V CA -0.385 61.887 62.300 -0.046 0.000 0.964 489 V CB 1.468 33.249 31.823 -0.069 0.000 1.029 489 V HN 0.780 nan 8.190 nan 0.000 0.427 490 Q N 2.199 122.004 119.800 0.008 0.000 2.578 490 Q HA 0.865 5.204 4.340 -0.001 0.000 0.284 490 Q C -1.707 174.366 176.000 0.122 0.000 0.960 490 Q CA -0.952 54.881 55.803 0.050 0.000 0.809 490 Q CB 2.688 31.475 28.738 0.082 0.000 1.462 490 Q HN 1.893 nan 8.270 nan 0.000 0.392 491 V N -2.634 117.331 119.914 0.085 0.000 3.147 491 V HA 0.975 5.095 4.120 -0.001 0.000 0.306 491 V C -0.647 175.458 176.094 0.019 0.000 1.209 491 V CA -0.498 61.877 62.300 0.124 0.000 1.023 491 V CB 1.363 33.266 31.823 0.132 0.000 1.059 491 V HN 1.123 nan 8.190 nan 0.000 0.435 492 A N 1.796 124.620 122.820 0.005 0.000 2.340 492 A HA 0.823 5.143 4.320 -0.001 0.000 0.268 492 A C -0.361 177.216 177.584 -0.012 0.000 1.100 492 A CA -0.518 51.500 52.037 -0.032 0.000 0.803 492 A CB 1.054 20.027 19.000 -0.044 0.000 1.043 492 A HN 1.522 nan 8.150 nan 0.000 0.488 493 V N 2.063 121.978 119.914 0.002 0.000 2.577 493 V HA 0.539 4.659 4.120 -0.001 0.000 0.303 493 V C -0.604 175.504 176.094 0.024 0.000 1.042 493 V CA -0.389 61.913 62.300 0.003 0.000 0.872 493 V CB 1.608 33.424 31.823 -0.013 0.000 0.998 493 V HN 1.054 nan 8.190 nan 0.000 0.423 494 E N 3.398 123.601 120.200 0.004 0.000 2.317 494 E HA 0.653 5.003 4.350 -0.001 0.000 0.270 494 E C -0.766 175.827 176.600 -0.011 0.000 0.885 494 E CA -0.583 55.825 56.400 0.013 0.000 0.760 494 E CB 2.288 31.996 29.700 0.014 0.000 1.227 494 E HN 0.573 nan 8.360 nan 0.000 0.434 495 V N 1.880 121.788 119.914 -0.011 0.000 2.834 495 V HA 0.399 4.519 4.120 -0.001 0.000 0.301 495 V C 0.926 177.013 176.094 -0.012 0.000 1.066 495 V CA -0.247 62.041 62.300 -0.021 0.000 1.052 495 V CB 1.407 33.217 31.823 -0.022 0.000 1.021 495 V HN 0.766 nan 8.190 nan 0.000 0.480 496 K N 1.201 121.592 120.400 -0.015 0.000 2.167 496 K HA 0.122 4.442 4.320 -0.001 0.000 0.203 496 K C 0.088 176.685 176.600 -0.005 0.000 1.052 496 K CA 0.754 57.035 56.287 -0.010 0.000 0.956 496 K CB 0.030 32.523 32.500 -0.011 0.000 0.735 496 K HN 0.731 nan 8.250 nan 0.000 0.451 497 N N 0.467 119.164 118.700 -0.006 0.000 2.518 497 N HA 0.158 4.898 4.740 -0.001 0.000 0.254 497 N C 0.224 175.733 175.510 -0.001 0.000 0.979 497 N CA -0.013 53.035 53.050 -0.002 0.000 0.930 497 N CB 1.772 40.257 38.487 -0.002 0.000 1.152 497 N HN -0.028 nan 8.380 nan 0.000 0.505 498 A N 3.089 125.910 122.820 0.002 0.000 2.001 498 A HA -0.318 4.002 4.320 -0.001 0.000 0.224 498 A C 1.685 179.270 177.584 0.003 0.000 1.203 498 A CA 1.960 54.000 52.037 0.004 0.000 0.667 498 A CB -0.368 18.636 19.000 0.006 0.000 0.823 498 A HN 0.589 nan 8.150 nan 0.000 0.473 499 N N 0.217 118.917 118.700 0.001 0.000 2.512 499 N HA -0.034 4.705 4.740 -0.001 0.000 0.183 499 N C 0.494 176.003 175.510 -0.002 0.000 1.073 499 N CA 1.175 54.225 53.050 0.001 0.000 0.911 499 N CB -0.172 38.316 38.487 0.001 0.000 0.964 499 N HN 0.536 nan 8.380 nan 0.000 0.447 500 D N 0.025 120.422 120.400 -0.006 0.000 2.340 500 D HA 0.019 4.659 4.640 -0.001 0.000 0.220 500 D C 1.874 178.162 176.300 -0.020 0.000 1.039 500 D CA -0.114 53.879 54.000 -0.011 0.000 0.866 500 D CB 0.112 40.903 40.800 -0.014 0.000 0.913 500 D HN 0.234 nan 8.370 nan 0.000 0.523 501 L N 1.065 122.278 121.223 -0.016 0.000 2.034 501 L HA -0.195 4.145 4.340 -0.001 0.000 0.217 501 L C -0.670 176.179 176.870 -0.035 0.000 1.077 501 L CA 1.953 56.780 54.840 -0.022 0.000 0.769 501 L CB -0.910 41.153 42.059 0.006 0.000 0.890 501 L HN 0.037 nan 8.230 nan 0.000 0.435 502 P HA -0.160 nan 4.420 nan 0.000 0.218 502 P C 1.184 178.467 177.300 -0.027 0.000 1.149 502 P CA 1.368 64.458 63.100 -0.017 0.000 0.817 502 P CB 0.051 31.749 31.700 -0.005 0.000 0.785 503 K N -0.985 119.399 120.400 -0.026 0.000 2.103 503 K HA -0.093 4.226 4.320 -0.001 0.000 0.204 503 K C 1.871 178.445 176.600 -0.043 0.000 1.052 503 K CA 0.828 57.101 56.287 -0.023 0.000 0.945 503 K CB -0.704 31.788 32.500 -0.014 0.000 0.722 503 K HN 0.053 nan 8.250 nan 0.000 0.443 504 L N 0.859 122.036 121.223 -0.076 0.000 2.027 504 L HA -0.130 4.210 4.340 -0.001 0.000 0.206 504 L C 1.891 178.653 176.870 -0.180 0.000 1.074 504 L CA 1.553 56.315 54.840 -0.129 0.000 0.745 504 L CB -0.485 41.469 42.059 -0.176 0.000 0.898 504 L HN -0.123 nan 8.230 nan 0.000 0.433 505 V N 0.033 119.836 119.914 -0.184 0.000 2.332 505 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 505 V C 2.691 178.740 176.094 -0.076 0.000 1.055 505 V CA 1.892 64.098 62.300 -0.158 0.000 1.038 505 V CB -0.724 31.060 31.823 -0.065 0.000 0.651 505 V HN 0.554 nan 8.190 nan 0.000 0.450 506 E N 0.940 121.112 120.200 -0.047 0.000 2.107 506 E HA -0.063 4.287 4.350 -0.001 0.000 0.191 506 E C 2.203 178.794 176.600 -0.015 0.000 0.982 506 E CA 1.423 57.812 56.400 -0.019 0.000 0.809 506 E CB -0.744 28.953 29.700 -0.004 0.000 0.756 506 E HN 0.446 nan 8.360 nan 0.000 0.459 507 G N 0.729 109.519 108.800 -0.016 0.000 2.422 507 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.218 507 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.218 507 G C 1.602 176.478 174.900 -0.040 0.000 1.146 507 G CA 0.816 45.927 45.100 0.019 0.000 0.769 507 G HN 0.314 nan 8.290 nan 0.000 0.547 508 L N -0.201 120.979 121.223 -0.072 0.000 2.131 508 L HA -0.056 4.284 4.340 -0.001 0.000 0.210 508 L C 2.968 179.795 176.870 -0.073 0.000 1.092 508 L CA 1.163 55.955 54.840 -0.081 0.000 0.759 508 L CB -0.193 41.815 42.059 -0.085 0.000 0.903 508 L HN 0.199 nan 8.230 nan 0.000 0.435 509 K N -0.400 119.968 120.400 -0.053 0.000 2.062 509 K HA -0.104 4.215 4.320 -0.001 0.000 0.205 509 K C 2.241 178.798 176.600 -0.070 0.000 1.051 509 K CA 0.945 57.209 56.287 -0.039 0.000 0.941 509 K CB -0.037 32.455 32.500 -0.014 0.000 0.719 509 K HN 0.260 nan 8.250 nan 0.000 0.440 510 R N 0.785 121.232 120.500 -0.088 0.000 2.070 510 R HA -0.138 4.201 4.340 -0.001 0.000 0.233 510 R C 2.379 178.455 176.300 -0.372 0.000 1.137 510 R CA 1.148 57.175 56.100 -0.122 0.000 0.945 510 R CB -0.621 29.685 30.300 0.010 0.000 0.845 510 R HN 0.082 nan 8.270 nan 0.000 0.430 511 L N 1.110 121.968 121.223 -0.608 0.000 1.997 511 L HA -0.261 4.079 4.340 -0.001 0.000 0.216 511 L C 2.034 178.730 176.870 -0.289 0.000 1.074 511 L CA 1.985 56.395 54.840 -0.716 0.000 0.763 511 L CB -0.656 41.184 42.059 -0.364 0.000 0.890 511 L HN 0.053 nan 8.230 nan 0.000 0.434 512 S N -0.508 115.099 115.700 -0.155 0.000 2.359 512 S HA -0.223 4.246 4.470 -0.001 0.000 0.224 512 S C 1.839 176.417 174.600 -0.036 0.000 1.035 512 S CA 1.706 59.871 58.200 -0.057 0.000 1.018 512 S CB -0.349 62.838 63.200 -0.023 0.000 0.876 512 S HN 0.486 nan 8.310 nan 0.000 0.448 513 K N 1.515 121.887 120.400 -0.047 0.000 2.032 513 K HA -0.099 4.221 4.320 -0.001 0.000 0.209 513 K C 2.482 179.083 176.600 0.002 0.000 1.048 513 K CA 1.696 57.975 56.287 -0.014 0.000 0.927 513 K CB -0.411 32.084 32.500 -0.009 0.000 0.712 513 K HN 0.502 nan 8.250 nan 0.000 0.441 514 S N 0.190 115.882 115.700 -0.013 0.000 2.555 514 S HA -0.079 4.391 4.470 -0.001 0.000 0.230 514 S C 0.291 174.924 174.600 0.055 0.000 0.978 514 S CA 0.498 58.722 58.200 0.040 0.000 0.934 514 S CB 0.119 63.376 63.200 0.095 0.000 0.766 514 S HN 0.112 nan 8.310 nan 0.000 0.533 515 D N 1.034 121.457 120.400 0.039 0.000 2.386 515 D HA 0.359 4.998 4.640 -0.001 0.000 0.247 515 D C -2.540 173.806 176.300 0.076 0.000 1.336 515 D CA -1.898 52.150 54.000 0.080 0.000 0.976 515 D CB 2.065 42.937 40.800 0.121 0.000 1.257 515 D HN -0.093 nan 8.370 nan 0.000 0.570 516 P HA -0.012 nan 4.420 nan 0.000 0.221 516 P C 1.059 178.408 177.300 0.081 0.000 1.145 516 P CA 0.644 63.782 63.100 0.064 0.000 0.795 516 P CB 0.378 32.112 31.700 0.056 0.000 0.775 517 C N -1.524 117.843 119.300 0.112 0.000 2.754 517 C HA 0.303 4.763 4.460 -0.001 0.000 0.276 517 C C 1.078 176.223 174.990 0.258 0.000 1.264 517 C CA -0.279 58.833 59.018 0.156 0.000 1.700 517 C CB -0.986 26.810 27.740 0.093 0.000 1.885 517 C HN 0.051 nan 8.230 nan 0.000 0.607 518 V N 1.679 121.704 119.914 0.186 0.000 2.713 518 V HA 0.717 4.836 4.120 -0.001 0.000 0.307 518 V C -0.784 175.354 176.094 0.074 0.000 1.052 518 V CA -0.452 61.909 62.300 0.101 0.000 0.967 518 V CB 1.834 33.674 31.823 0.028 0.000 1.019 518 V HN 0.260 nan 8.190 nan 0.000 0.459 519 L N 5.442 126.706 121.223 0.068 0.000 2.410 519 L HA 0.892 5.231 4.340 -0.001 0.000 0.270 519 L C -0.377 176.578 176.870 0.141 0.000 0.983 519 L CA 0.254 55.162 54.840 0.115 0.000 0.822 519 L CB 2.112 44.258 42.059 0.145 0.000 1.285 519 L HN 0.872 nan 8.230 nan 0.000 0.409 520 T N 1.572 116.224 114.554 0.164 0.000 2.900 520 T HA 0.874 5.224 4.350 -0.001 0.000 0.295 520 T C -0.849 174.013 174.700 0.270 0.000 1.044 520 T CA -0.391 61.788 62.100 0.131 0.000 0.995 520 T CB 1.637 70.540 68.868 0.058 0.000 1.072 520 T HN 0.954 nan 8.240 nan 0.000 0.473 521 Y N -0.202 120.125 120.300 0.045 0.000 2.779 521 Y HA 0.742 5.291 4.550 -0.001 0.000 0.340 521 Y C -1.369 174.529 175.900 -0.003 0.000 1.252 521 Y CA -1.779 56.336 58.100 0.025 0.000 1.072 521 Y CB 1.184 39.651 38.460 0.012 0.000 1.343 521 Y HN 0.819 nan 8.280 nan 0.000 0.450 522 M N 3.401 123.090 119.600 0.149 0.000 2.157 522 M HA 0.546 5.026 4.480 -0.001 0.000 0.354 522 M C -0.343 175.990 176.300 0.055 0.000 1.170 522 M CA -0.487 54.787 55.300 -0.043 0.000 1.060 522 M CB 1.181 33.733 32.600 -0.079 0.000 1.615 522 M HN 0.798 nan 8.290 nan 0.000 0.460 523 S N 2.667 118.331 115.700 -0.059 0.000 2.603 523 S HA 0.227 4.697 4.470 -0.001 0.000 0.268 523 S C 0.860 175.447 174.600 -0.021 0.000 1.317 523 S CA -0.122 58.079 58.200 0.002 0.000 1.012 523 S CB 0.878 64.040 63.200 -0.063 0.000 0.926 523 S HN 0.855 nan 8.310 nan 0.000 0.539 524 E N 1.626 121.812 120.200 -0.023 0.000 2.171 524 E HA -0.119 4.230 4.350 -0.001 0.000 0.197 524 E C 1.033 177.607 176.600 -0.043 0.000 0.997 524 E CA 1.561 57.938 56.400 -0.038 0.000 0.810 524 E CB -0.349 29.319 29.700 -0.054 0.000 0.738 524 E HN 0.652 nan 8.360 nan 0.000 0.467 525 S N -0.600 115.071 115.700 -0.048 0.000 2.685 525 S HA 0.302 4.772 4.470 -0.001 0.000 0.240 525 S C 0.803 175.375 174.600 -0.047 0.000 0.967 525 S CA 0.291 58.468 58.200 -0.039 0.000 1.009 525 S CB 0.388 63.572 63.200 -0.027 0.000 0.776 525 S HN 0.529 nan 8.310 nan 0.000 0.467 526 G N 1.822 110.580 108.800 -0.069 0.000 2.198 526 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.260 526 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.260 526 G C -0.286 174.527 174.900 -0.145 0.000 1.025 526 G CA 0.025 45.066 45.100 -0.098 0.000 0.769 526 G HN 0.556 nan 8.290 nan 0.000 0.507 527 E N -0.238 119.869 120.200 -0.156 0.000 2.212 527 E HA 0.413 4.763 4.350 -0.001 0.000 0.270 527 E C -0.325 176.115 176.600 -0.266 0.000 0.956 527 E CA -0.983 55.316 56.400 -0.168 0.000 0.825 527 E CB 0.998 30.638 29.700 -0.099 0.000 1.167 527 E HN 0.376 nan 8.360 nan 0.000 0.400 528 H N 2.264 121.276 119.070 -0.097 0.000 2.800 528 H HA 0.181 4.736 4.556 -0.001 0.000 0.291 528 H C -0.225 174.988 175.328 -0.193 0.000 1.076 528 H CA 0.008 55.981 56.048 -0.126 0.000 1.452 528 H CB 0.403 30.116 29.762 -0.082 0.000 1.461 528 H HN 0.217 nan 8.280 nan 0.000 0.488 529 I N 4.243 124.653 120.570 -0.267 0.000 2.460 529 I HA 0.197 4.367 4.170 -0.001 0.000 0.298 529 I C 0.288 176.228 176.117 -0.295 0.000 0.989 529 I CA -0.783 60.278 61.300 -0.399 0.000 1.173 529 I CB 1.767 39.209 38.000 -0.931 0.000 1.338 529 I HN 0.178 nan 8.210 nan 0.000 0.456 530 V N 4.665 124.488 119.914 -0.152 0.000 2.525 530 V HA 0.767 4.887 4.120 -0.001 0.000 0.299 530 V C 0.021 176.090 176.094 -0.041 0.000 1.034 530 V CA -0.641 61.615 62.300 -0.074 0.000 0.863 530 V CB 1.686 33.475 31.823 -0.055 0.000 0.999 530 V HN 0.902 nan 8.190 nan 0.000 0.423 531 A N 3.316 126.137 122.820 0.002 0.000 2.355 531 A HA 1.011 5.331 4.320 -0.001 0.000 0.324 531 A C 0.119 177.680 177.584 -0.039 0.000 1.117 531 A CA -0.052 51.996 52.037 0.019 0.000 0.785 531 A CB 1.866 20.934 19.000 0.113 0.000 1.254 531 A HN 1.125 nan 8.150 nan 0.000 0.453 532 G N -0.817 107.942 108.800 -0.067 0.000 2.816 532 G HA2 0.476 4.436 3.960 -0.001 0.000 0.288 532 G HA3 0.476 4.436 3.960 -0.001 0.000 0.288 532 G C 0.432 175.378 174.900 0.076 0.000 1.334 532 G CA 0.336 45.356 45.100 -0.133 0.000 0.978 532 G HN 0.513 nan 8.290 nan 0.000 0.493 533 T N -0.706 114.071 114.554 0.371 0.000 2.915 533 T HA 0.308 4.658 4.350 -0.001 0.000 0.269 533 T C 0.950 175.705 174.700 0.091 0.000 1.071 533 T CA 1.723 63.972 62.100 0.248 0.000 1.132 533 T CB -0.330 68.667 68.868 0.215 0.000 0.878 533 T HN 1.113 nan 8.240 nan 0.000 0.479 534 G N -0.609 108.242 108.800 0.085 0.000 2.495 534 G HA2 0.394 4.354 3.960 -0.001 0.000 0.294 534 G HA3 0.394 4.354 3.960 -0.001 0.000 0.294 534 G C -0.230 174.671 174.900 0.002 0.000 1.397 534 G CA -0.544 44.560 45.100 0.005 0.000 0.790 534 G HN 0.037 nan 8.290 nan 0.000 0.486 535 E N -0.741 119.440 120.200 -0.031 0.000 2.038 535 E HA -0.125 4.225 4.350 -0.001 0.000 0.195 535 E C 2.483 179.078 176.600 -0.008 0.000 1.000 535 E CA 1.421 57.799 56.400 -0.037 0.000 0.803 535 E CB -0.062 29.606 29.700 -0.053 0.000 0.750 535 E HN 0.306 nan 8.360 nan 0.000 0.448 536 L N 0.873 122.099 121.223 0.005 0.000 2.012 536 L HA -0.239 4.100 4.340 -0.001 0.000 0.210 536 L C 2.244 179.159 176.870 0.076 0.000 1.073 536 L CA 2.150 57.005 54.840 0.025 0.000 0.748 536 L CB -0.853 41.214 42.059 0.013 0.000 0.891 536 L HN 0.308 nan 8.230 nan 0.000 0.431 537 H N -1.409 117.640 119.070 -0.035 0.000 2.319 537 H HA -0.235 4.321 4.556 -0.001 0.000 0.297 537 H C 2.223 177.548 175.328 -0.006 0.000 1.097 537 H CA 1.918 57.953 56.048 -0.022 0.000 1.285 537 H CB 0.085 29.828 29.762 -0.032 0.000 1.368 537 H HN 0.369 nan 8.280 nan 0.000 0.495 538 L N 1.539 122.708 121.223 -0.089 0.000 2.012 538 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 538 L C 2.352 179.180 176.870 -0.070 0.000 1.073 538 L CA 1.730 56.478 54.840 -0.154 0.000 0.748 538 L CB -0.733 41.269 42.059 -0.095 0.000 0.891 538 L HN 0.265 nan 8.230 nan 0.000 0.431 539 E N -0.093 120.095 120.200 -0.021 0.000 2.086 539 E HA -0.282 4.067 4.350 -0.001 0.000 0.200 539 E C 2.256 178.866 176.600 0.016 0.000 1.012 539 E CA 2.088 58.489 56.400 0.001 0.000 0.812 539 E CB -0.626 29.081 29.700 0.012 0.000 0.743 539 E HN 0.778 nan 8.360 nan 0.000 0.453 540 I N -1.092 119.499 120.570 0.035 0.000 2.406 540 I HA -0.195 3.975 4.170 -0.001 0.000 0.249 540 I C 2.208 178.356 176.117 0.052 0.000 1.122 540 I CA 0.986 62.319 61.300 0.055 0.000 1.431 540 I CB -0.253 37.795 38.000 0.080 0.000 1.087 540 I HN -0.030 nan 8.210 nan 0.000 0.424 541 C N 1.426 120.738 119.300 0.020 0.000 2.401 541 C HA -0.152 4.307 4.460 -0.001 0.000 0.276 541 C C 2.759 177.762 174.990 0.021 0.000 1.233 541 C CA 1.155 60.177 59.018 0.007 0.000 1.753 541 C CB -1.254 26.412 27.740 -0.124 0.000 2.029 541 C HN 0.599 nan 8.230 nan 0.000 0.478 542 L N 0.405 121.624 121.223 -0.006 0.000 2.056 542 L HA -0.188 4.152 4.340 -0.001 0.000 0.207 542 L C 2.746 179.611 176.870 -0.008 0.000 1.078 542 L CA 1.832 56.666 54.840 -0.010 0.000 0.749 542 L CB -0.885 41.163 42.059 -0.018 0.000 0.901 542 L HN 0.352 nan 8.230 nan 0.000 0.433 543 Q N 0.839 120.647 119.800 0.013 0.000 2.061 543 Q HA -0.246 4.093 4.340 -0.001 0.000 0.204 543 Q C 1.574 177.603 176.000 0.048 0.000 0.984 543 Q CA 2.319 58.143 55.803 0.035 0.000 0.846 543 Q CB -0.283 28.499 28.738 0.073 0.000 0.902 543 Q HN 0.405 nan 8.270 nan 0.000 0.421 544 D N -0.072 120.363 120.400 0.058 0.000 2.123 544 D HA -0.144 4.496 4.640 -0.001 0.000 0.196 544 D C 1.734 178.059 176.300 0.041 0.000 0.992 544 D CA 1.375 55.394 54.000 0.032 0.000 0.833 544 D CB -0.306 40.555 40.800 0.101 0.000 0.954 544 D HN 0.317 nan 8.370 nan 0.000 0.455 545 L N 0.972 122.278 121.223 0.137 0.000 1.976 545 L HA -0.152 4.188 4.340 -0.001 0.000 0.209 545 L C 2.076 178.958 176.870 0.019 0.000 1.071 545 L CA 1.916 56.838 54.840 0.136 0.000 0.746 545 L CB -0.718 41.382 42.059 0.068 0.000 0.890 545 L HN 0.020 nan 8.230 nan 0.000 0.432 546 E N -1.411 118.750 120.200 -0.065 0.000 2.085 546 E HA -0.288 4.061 4.350 -0.001 0.000 0.194 546 E C 1.888 178.380 176.600 -0.181 0.000 0.994 546 E CA 1.948 58.242 56.400 -0.176 0.000 0.801 546 E CB -0.203 29.301 29.700 -0.327 0.000 0.743 546 E HN 0.775 nan 8.360 nan 0.000 0.453 547 H N -1.547 117.509 119.070 -0.023 0.000 2.592 547 H HA 0.135 4.690 4.556 -0.001 0.000 0.265 547 H C 0.646 175.935 175.328 -0.064 0.000 0.955 547 H CA 0.490 56.516 56.048 -0.036 0.000 1.175 547 H CB 0.567 30.309 29.762 -0.033 0.000 1.433 547 H HN 0.145 nan 8.280 nan 0.000 0.537 548 D N -1.686 118.712 120.400 -0.003 0.000 3.074 548 D HA -0.001 4.638 4.640 -0.001 0.000 0.227 548 D C 1.715 177.951 176.300 -0.107 0.000 1.553 548 D CA -0.028 53.899 54.000 -0.122 0.000 1.347 548 D CB -0.067 40.542 40.800 -0.319 0.000 1.021 548 D HN 0.152 nan 8.370 nan 0.000 0.260 549 H N 0.529 119.609 119.070 0.018 0.000 2.362 549 H HA -0.097 4.458 4.556 -0.001 0.000 0.294 549 H C 1.432 176.756 175.328 -0.008 0.000 1.113 549 H CA 1.908 57.958 56.048 0.004 0.000 1.253 549 H CB -0.142 29.619 29.762 -0.002 0.000 1.363 549 H HN 0.203 nan 8.280 nan 0.000 0.494 550 A N -0.424 122.452 122.820 0.094 0.000 2.192 550 A HA 0.377 4.697 4.320 -0.001 0.000 0.208 550 A C 1.602 179.194 177.584 0.013 0.000 1.220 550 A CA 0.705 52.762 52.037 0.033 0.000 0.900 550 A CB 0.011 19.012 19.000 0.001 0.000 0.937 550 A HN 0.433 nan 8.150 nan 0.000 0.487 551 G N 0.001 108.810 108.800 0.014 0.000 2.290 551 G HA2 0.033 3.993 3.960 -0.001 0.000 0.270 551 G HA3 0.033 3.993 3.960 -0.001 0.000 0.270 551 G C -0.307 174.599 174.900 0.011 0.000 0.891 551 G CA 0.753 45.867 45.100 0.024 0.000 1.321 551 G HN 1.189 nan 8.290 nan 0.000 0.425 552 V N 3.008 122.913 119.914 -0.015 0.000 3.108 552 V HA 0.418 4.538 4.120 -0.001 0.000 0.287 552 V C -2.417 173.649 176.094 -0.048 0.000 1.436 552 V CA -1.421 60.866 62.300 -0.021 0.000 1.001 552 V CB 2.792 34.601 31.823 -0.023 0.000 1.141 552 V HN 0.265 nan 8.190 nan 0.000 0.443 553 P HA 0.322 nan 4.420 nan 0.000 0.266 553 P C -0.893 176.378 177.300 -0.050 0.000 1.215 553 P CA 0.320 63.393 63.100 -0.045 0.000 0.763 553 P CB 0.293 31.982 31.700 -0.019 0.000 0.806 554 L N 3.070 124.252 121.223 -0.068 0.000 2.331 554 L HA 0.566 4.906 4.340 -0.001 0.000 0.268 554 L C 0.653 177.498 176.870 -0.041 0.000 1.015 554 L CA -0.884 53.923 54.840 -0.055 0.000 0.807 554 L CB 1.603 43.622 42.059 -0.067 0.000 1.293 554 L HN 0.210 nan 8.230 nan 0.000 0.451 555 K N 1.929 122.311 120.400 -0.030 0.000 2.572 555 K HA 0.419 4.739 4.320 -0.001 0.000 0.244 555 K C -1.356 175.233 176.600 -0.018 0.000 0.965 555 K CA -0.672 55.602 56.287 -0.022 0.000 0.943 555 K CB 1.034 33.523 32.500 -0.018 0.000 1.154 555 K HN 0.314 nan 8.250 nan 0.000 0.447 556 I N 2.792 123.354 120.570 -0.013 0.000 2.519 556 I HA 0.190 4.360 4.170 -0.001 0.000 0.287 556 I C 0.209 176.323 176.117 -0.005 0.000 1.047 556 I CA 0.561 61.861 61.300 -0.000 0.000 1.381 556 I CB 1.494 39.504 38.000 0.016 0.000 1.417 556 I HN 0.673 nan 8.210 nan 0.000 0.540 557 S N 5.219 120.910 115.700 -0.014 0.000 2.567 557 S HA 0.650 5.120 4.470 -0.001 0.000 0.270 557 S C -3.133 171.378 174.600 -0.149 0.000 1.152 557 S CA -1.529 56.624 58.200 -0.079 0.000 0.835 557 S CB 1.703 64.850 63.200 -0.088 0.000 1.115 557 S HN 0.181 nan 8.310 nan 0.000 0.459 558 P HA 0.274 nan 4.420 nan 0.000 0.267 558 P C -2.339 174.807 177.300 -0.256 0.000 1.209 558 P CA -0.607 62.066 63.100 -0.711 0.000 0.763 558 P CB -0.220 30.775 31.700 -1.175 0.000 0.816 559 P HA -0.028 nan 4.420 nan 0.000 0.269 559 P C -0.415 176.853 177.300 -0.053 0.000 1.209 559 P CA 0.208 63.279 63.100 -0.049 0.000 0.776 559 P CB 0.472 32.171 31.700 -0.002 0.000 0.876 560 V N 3.600 123.483 119.914 -0.051 0.000 2.508 560 V HA 0.021 4.141 4.120 -0.001 0.000 0.281 560 V C 0.865 176.932 176.094 -0.045 0.000 1.041 560 V CA -0.202 62.080 62.300 -0.031 0.000 1.016 560 V CB 0.999 32.809 31.823 -0.022 0.000 0.984 560 V HN 0.261 nan 8.190 nan 0.000 0.478 561 V N 4.664 124.549 119.914 -0.049 0.000 2.607 561 V HA 0.588 4.708 4.120 -0.001 0.000 0.289 561 V C 0.659 176.599 176.094 -0.256 0.000 1.053 561 V CA -0.310 61.874 62.300 -0.194 0.000 0.996 561 V CB 1.466 33.136 31.823 -0.256 0.000 0.995 561 V HN 1.021 nan 8.190 nan 0.000 0.476 562 A N 4.443 127.083 122.820 -0.299 0.000 2.310 562 A HA 0.787 5.107 4.320 -0.001 0.000 0.299 562 A C -1.088 176.384 177.584 -0.187 0.000 1.147 562 A CA -0.259 51.696 52.037 -0.137 0.000 0.818 562 A CB 0.412 19.415 19.000 0.005 0.000 1.096 562 A HN 0.716 nan 8.150 nan 0.000 0.495 563 Y N 0.442 120.865 120.300 0.205 0.000 2.686 563 Y HA 0.726 5.276 4.550 -0.000 0.000 0.330 563 Y C 0.525 176.410 175.900 -0.025 0.000 1.082 563 Y CA -0.787 57.496 58.100 0.304 0.000 1.158 563 Y CB 1.415 40.102 38.460 0.380 0.000 1.333 563 Y HN 0.534 nan 8.280 nan 0.000 0.519 564 R N 0.780 121.316 120.500 0.059 0.000 2.686 564 R HA 0.342 4.682 4.340 -0.001 0.000 0.283 564 R C -1.438 174.879 176.300 0.029 0.000 0.978 564 R CA -0.916 55.042 56.100 -0.237 0.000 0.897 564 R CB 1.914 31.777 30.300 -0.727 0.000 1.192 564 R HN 0.767 nan 8.270 nan 0.000 0.457 565 E N 1.070 121.279 120.200 0.016 0.000 2.146 565 E HA 0.325 4.675 4.350 -0.001 0.000 0.282 565 E C -0.289 176.467 176.600 0.260 0.000 0.989 565 E CA -0.225 56.276 56.400 0.169 0.000 0.799 565 E CB 2.013 31.711 29.700 -0.004 0.000 1.088 565 E HN 0.361 nan 8.360 nan 0.000 0.397 566 T N 0.871 115.651 114.554 0.378 0.000 2.778 566 T HA 0.560 4.909 4.350 -0.001 0.000 0.293 566 T C -1.400 173.332 174.700 0.053 0.000 1.144 566 T CA -0.685 61.589 62.100 0.290 0.000 1.010 566 T CB 1.547 70.487 68.868 0.120 0.000 1.325 566 T HN 0.264 nan 8.240 nan 0.000 0.515 567 V N 0.850 120.738 119.914 -0.044 0.000 2.680 567 V HA 0.755 4.875 4.120 -0.001 0.000 0.309 567 V C 0.581 176.615 176.094 -0.100 0.000 1.052 567 V CA -0.594 61.577 62.300 -0.216 0.000 0.908 567 V CB 1.635 33.309 31.823 -0.249 0.000 1.001 567 V HN 0.913 nan 8.190 nan 0.000 0.431 568 E N 2.492 122.624 120.200 -0.113 0.000 2.318 568 E HA 0.205 4.554 4.350 -0.001 0.000 0.193 568 E C 0.780 177.342 176.600 -0.062 0.000 0.998 568 E CA 1.061 57.422 56.400 -0.064 0.000 0.859 568 E CB 0.347 30.011 29.700 -0.060 0.000 0.812 568 E HN 1.141 nan 8.360 nan 0.000 0.492 569 S N -1.956 113.691 115.700 -0.088 0.000 2.757 569 S HA 0.300 4.770 4.470 -0.001 0.000 0.285 569 S C -0.672 173.873 174.600 -0.092 0.000 1.196 569 S CA -1.087 57.067 58.200 -0.077 0.000 0.856 569 S CB 0.955 64.111 63.200 -0.073 0.000 1.212 569 S HN 0.072 nan 8.310 nan 0.000 0.516 570 E N 0.695 120.845 120.200 -0.083 0.000 2.349 570 E HA 0.450 4.800 4.350 -0.001 0.000 0.265 570 E C -0.615 175.922 176.600 -0.104 0.000 1.064 570 E CA -0.503 55.846 56.400 -0.084 0.000 0.886 570 E CB 0.871 30.527 29.700 -0.074 0.000 1.036 570 E HN 0.563 nan 8.360 nan 0.000 0.413 571 S N 1.812 117.450 115.700 -0.103 0.000 2.626 571 S HA -0.087 4.382 4.470 -0.001 0.000 0.303 571 S C 1.188 175.703 174.600 -0.141 0.000 1.256 571 S CA 0.363 58.484 58.200 -0.133 0.000 1.069 571 S CB 0.474 63.614 63.200 -0.100 0.000 0.807 571 S HN 0.628 nan 8.310 nan 0.000 0.500 572 S N 2.194 117.781 115.700 -0.188 0.000 2.500 572 S HA -0.106 4.364 4.470 -0.001 0.000 0.239 572 S C 0.413 174.916 174.600 -0.161 0.000 0.989 572 S CA 0.551 58.647 58.200 -0.172 0.000 0.951 572 S CB -0.499 62.580 63.200 -0.202 0.000 0.759 572 S HN 0.876 nan 8.310 nan 0.000 0.523 573 Q N -1.467 118.227 119.800 -0.176 0.000 2.594 573 Q HA 0.410 4.749 4.340 -0.001 0.000 0.278 573 Q C -1.472 174.487 176.000 -0.068 0.000 0.961 573 Q CA -0.964 54.767 55.803 -0.119 0.000 0.844 573 Q CB 0.244 28.888 28.738 -0.158 0.000 1.475 573 Q HN -0.036 nan 8.270 nan 0.000 0.389 574 T N 1.498 116.064 114.554 0.019 0.000 2.933 574 T HA 0.321 4.671 4.350 -0.001 0.000 0.306 574 T C 0.037 174.828 174.700 0.152 0.000 1.045 574 T CA 0.746 62.894 62.100 0.080 0.000 1.143 574 T CB 0.299 69.252 68.868 0.141 0.000 1.003 574 T HN 0.616 nan 8.240 nan 0.000 0.540 575 A N 3.284 126.178 122.820 0.124 0.000 2.289 575 A HA 0.629 4.949 4.320 -0.001 0.000 0.298 575 A C -0.504 177.086 177.584 0.011 0.000 1.208 575 A CA -0.600 51.552 52.037 0.191 0.000 0.845 575 A CB 0.275 19.353 19.000 0.131 0.000 1.125 575 A HN 0.638 nan 8.150 nan 0.000 0.517 576 L N 2.235 123.311 121.223 -0.245 0.000 2.365 576 L HA 0.802 5.141 4.340 -0.001 0.000 0.273 576 L C -0.417 176.122 176.870 -0.552 0.000 1.000 576 L CA 0.166 54.653 54.840 -0.589 0.000 0.819 576 L CB 2.069 43.662 42.059 -0.777 0.000 1.284 576 L HN 0.548 nan 8.230 nan 0.000 0.418 577 S N 3.588 119.049 115.700 -0.399 0.000 2.603 577 S HA 0.496 4.966 4.470 -0.001 0.000 0.274 577 S C -1.383 173.099 174.600 -0.197 0.000 1.168 577 S CA -0.958 57.099 58.200 -0.239 0.000 0.963 577 S CB 1.562 64.695 63.200 -0.111 0.000 1.078 577 S HN 0.642 nan 8.310 nan 0.000 0.477 578 K N 0.899 121.208 120.400 -0.152 0.000 2.130 578 K HA 0.664 4.983 4.320 -0.001 0.000 0.268 578 K C 0.239 176.802 176.600 -0.062 0.000 0.983 578 K CA -0.534 55.696 56.287 -0.095 0.000 0.893 578 K CB 1.050 33.503 32.500 -0.080 0.000 1.066 578 K HN 0.525 nan 8.250 nan 0.000 0.450 579 S N 1.590 117.269 115.700 -0.036 0.000 2.608 579 S HA 0.123 4.592 4.470 -0.001 0.000 0.261 579 S C -1.928 172.636 174.600 -0.059 0.000 1.314 579 S CA -1.077 57.102 58.200 -0.036 0.000 0.992 579 S CB 0.469 63.663 63.200 -0.010 0.000 0.935 579 S HN 0.533 nan 8.310 nan 0.000 0.564 580 P HA 0.103 nan 4.420 nan 0.000 0.250 580 P C 0.117 177.336 177.300 -0.134 0.000 1.239 580 P CA 0.599 63.648 63.100 -0.086 0.000 0.756 580 P CB -0.182 31.474 31.700 -0.073 0.000 1.013 581 N N -0.583 118.014 118.700 -0.172 0.000 2.407 581 N HA 0.092 4.831 4.740 -0.001 0.000 0.182 581 N C 0.569 175.882 175.510 -0.328 0.000 1.079 581 N CA 0.235 53.069 53.050 -0.360 0.000 0.882 581 N CB 0.142 38.344 38.487 -0.474 0.000 1.106 581 N HN -0.038 nan 8.380 nan 0.000 0.461 582 K N -1.280 119.044 120.400 -0.127 0.000 3.553 582 K HA -0.219 4.101 4.320 -0.001 0.000 0.303 582 K C 0.470 177.127 176.600 0.096 0.000 1.327 582 K CA 0.949 57.219 56.287 -0.028 0.000 0.983 582 K CB -1.578 30.903 32.500 -0.031 0.000 1.275 582 K HN 0.481 nan 8.250 nan 0.000 0.453 583 H N 0.363 119.439 119.070 0.009 0.000 2.294 583 H HA 0.062 4.618 4.556 -0.001 0.000 0.306 583 H C 0.648 176.019 175.328 0.071 0.000 1.065 583 H CA 0.714 56.782 56.048 0.034 0.000 1.343 583 H CB 0.158 29.898 29.762 -0.037 0.000 1.396 583 H HN 0.273 nan 8.280 nan 0.000 0.506 584 N N 1.307 120.126 118.700 0.198 0.000 2.498 584 N HA 0.300 5.039 4.740 -0.001 0.000 0.287 584 N C -0.653 174.908 175.510 0.085 0.000 1.097 584 N CA -0.286 52.850 53.050 0.144 0.000 0.973 584 N CB 1.475 40.038 38.487 0.126 0.000 1.153 584 N HN 0.111 nan 8.380 nan 0.000 0.472 585 R N 1.787 122.348 120.500 0.102 0.000 2.564 585 R HA 0.457 4.797 4.340 -0.001 0.000 0.284 585 R C -1.265 175.074 176.300 0.065 0.000 1.031 585 R CA -0.610 55.500 56.100 0.017 0.000 0.904 585 R CB 1.771 32.064 30.300 -0.012 0.000 1.199 585 R HN 0.519 nan 8.270 nan 0.000 0.443 586 I N 3.626 124.146 120.570 -0.084 0.000 2.378 586 I HA 0.339 4.509 4.170 -0.001 0.000 0.291 586 I C -0.827 175.230 176.117 -0.101 0.000 0.992 586 I CA -0.777 60.535 61.300 0.020 0.000 1.154 586 I CB 1.286 39.287 38.000 0.002 0.000 1.315 586 I HN 0.487 nan 8.210 nan 0.000 0.448 587 Y N 7.273 127.555 120.300 -0.030 0.000 2.402 587 Y HA 0.531 5.081 4.550 -0.001 0.000 0.332 587 Y C -0.206 175.674 175.900 -0.033 0.000 0.960 587 Y CA -1.175 56.908 58.100 -0.027 0.000 1.228 587 Y CB 1.075 39.523 38.460 -0.021 0.000 1.120 587 Y HN 0.398 nan 8.280 nan 0.000 0.491 588 L N 0.176 121.451 121.223 0.087 0.000 2.277 588 L HA 0.834 5.173 4.340 -0.001 0.000 0.254 588 L C -1.163 175.727 176.870 0.033 0.000 1.044 588 L CA -1.558 53.305 54.840 0.038 0.000 0.842 588 L CB 1.932 43.995 42.059 0.007 0.000 1.422 588 L HN 0.274 nan 8.230 nan 0.000 0.422 589 K N -0.167 120.238 120.400 0.008 0.000 2.536 589 K HA 0.898 5.217 4.320 -0.001 0.000 0.269 589 K C -1.623 174.977 176.600 0.001 0.000 0.965 589 K CA -0.724 55.562 56.287 -0.001 0.000 0.860 589 K CB 2.574 35.062 32.500 -0.019 0.000 1.423 589 K HN 1.030 nan 8.250 nan 0.000 0.438 590 A N 1.324 124.143 122.820 -0.002 0.000 2.413 590 A HA 0.704 5.024 4.320 -0.001 0.000 0.307 590 A C -1.345 176.227 177.584 -0.020 0.000 1.087 590 A CA -0.564 51.484 52.037 0.019 0.000 0.750 590 A CB 1.378 20.419 19.000 0.069 0.000 1.296 590 A HN 0.789 nan 8.150 nan 0.000 0.423 591 E N 0.720 120.915 120.200 -0.009 0.000 2.430 591 E HA 0.608 4.957 4.350 -0.001 0.000 0.279 591 E C -3.179 173.420 176.600 -0.002 0.000 1.003 591 E CA -2.145 54.235 56.400 -0.032 0.000 0.801 591 E CB 2.397 32.062 29.700 -0.059 0.000 1.313 591 E HN 0.338 nan 8.360 nan 0.000 0.459 592 P HA 0.259 nan 4.420 nan 0.000 0.286 592 P C -0.284 177.042 177.300 0.043 0.000 1.269 592 P CA -0.195 62.918 63.100 0.022 0.000 0.787 592 P CB 0.859 32.562 31.700 0.005 0.000 0.920 593 I N 2.323 122.949 120.570 0.094 0.000 2.662 593 I HA 0.161 4.331 4.170 -0.001 0.000 0.291 593 I C 1.183 177.380 176.117 0.134 0.000 1.046 593 I CA -0.245 61.149 61.300 0.157 0.000 1.361 593 I CB 0.449 38.578 38.000 0.216 0.000 1.429 593 I HN 0.229 nan 8.210 nan 0.000 0.558 594 D N 3.854 124.355 120.400 0.169 0.000 2.372 594 D HA -0.019 4.621 4.640 -0.001 0.000 0.243 594 D C 0.981 177.344 176.300 0.104 0.000 1.121 594 D CA -0.055 54.023 54.000 0.131 0.000 0.898 594 D CB 1.326 42.223 40.800 0.162 0.000 1.202 594 D HN 0.477 nan 8.370 nan 0.000 0.428 595 E N 2.060 122.309 120.200 0.082 0.000 2.058 595 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 595 E C 1.560 178.192 176.600 0.053 0.000 0.997 595 E CA 1.399 57.840 56.400 0.067 0.000 0.801 595 E CB 0.140 29.873 29.700 0.055 0.000 0.746 595 E HN 0.461 nan 8.360 nan 0.000 0.450 596 E N -0.091 120.149 120.200 0.066 0.000 2.097 596 E HA -0.156 4.194 4.350 -0.001 0.000 0.196 596 E C 2.198 178.769 176.600 -0.048 0.000 1.000 596 E CA 1.231 57.673 56.400 0.071 0.000 0.804 596 E CB -0.306 29.490 29.700 0.159 0.000 0.740 596 E HN 0.097 nan 8.360 nan 0.000 0.454 597 V N 0.357 120.225 119.914 -0.077 0.000 2.323 597 V HA -0.201 3.918 4.120 -0.001 0.000 0.244 597 V C 2.123 178.120 176.094 -0.162 0.000 1.041 597 V CA 1.783 63.924 62.300 -0.266 0.000 1.025 597 V CB -0.563 31.198 31.823 -0.103 0.000 0.656 597 V HN 0.212 nan 8.190 nan 0.000 0.451 598 S N 0.359 116.045 115.700 -0.023 0.000 2.383 598 S HA -0.183 4.287 4.470 -0.001 0.000 0.229 598 S C 1.895 176.495 174.600 -0.000 0.000 1.030 598 S CA 1.402 59.611 58.200 0.016 0.000 1.002 598 S CB -0.396 62.836 63.200 0.054 0.000 0.829 598 S HN 0.327 nan 8.310 nan 0.000 0.467 599 L N 1.483 122.703 121.223 -0.006 0.000 2.056 599 L HA 0.053 4.392 4.340 -0.001 0.000 0.207 599 L C 2.535 179.385 176.870 -0.034 0.000 1.078 599 L CA 1.617 56.464 54.840 0.011 0.000 0.749 599 L CB -1.325 40.749 42.059 0.026 0.000 0.901 599 L HN 0.299 nan 8.230 nan 0.000 0.433 600 A N -0.620 122.123 122.820 -0.128 0.000 1.930 600 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 600 A C 2.137 179.631 177.584 -0.149 0.000 1.175 600 A CA 1.430 53.363 52.037 -0.174 0.000 0.627 600 A CB -0.533 18.170 19.000 -0.495 0.000 0.815 600 A HN 0.320 nan 8.150 nan 0.000 0.443 601 I N 0.005 120.486 120.570 -0.147 0.000 2.142 601 I HA -0.238 3.931 4.170 -0.001 0.000 0.240 601 I C 2.352 178.419 176.117 -0.084 0.000 1.078 601 I CA 1.802 63.033 61.300 -0.115 0.000 1.343 601 I CB -1.730 36.263 38.000 -0.012 0.000 1.046 601 I HN 0.446 nan 8.210 nan 0.000 0.405 602 E N 0.900 121.083 120.200 -0.027 0.000 2.085 602 E HA -0.209 4.141 4.350 -0.001 0.000 0.194 602 E C 1.543 178.145 176.600 0.002 0.000 0.994 602 E CA 1.137 57.542 56.400 0.009 0.000 0.801 602 E CB -0.084 29.655 29.700 0.065 0.000 0.743 602 E HN 0.454 nan 8.360 nan 0.000 0.453 603 N N -0.610 118.087 118.700 -0.005 0.000 2.461 603 N HA -0.005 4.735 4.740 -0.001 0.000 0.188 603 N C 0.832 176.329 175.510 -0.022 0.000 1.134 603 N CA 0.959 54.008 53.050 -0.001 0.000 0.878 603 N CB 1.050 39.544 38.487 0.011 0.000 0.972 603 N HN 0.294 nan 8.380 nan 0.000 0.456 604 G N 0.826 109.594 108.800 -0.054 0.000 2.159 604 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.256 604 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.256 604 G C 0.955 175.814 174.900 -0.068 0.000 0.977 604 G CA 0.283 45.339 45.100 -0.073 0.000 0.652 604 G HN 0.388 nan 8.290 nan 0.000 0.531 605 I N 0.044 120.584 120.570 -0.050 0.000 2.286 605 I HA 0.118 4.287 4.170 -0.001 0.000 0.245 605 I C 1.398 177.488 176.117 -0.045 0.000 1.104 605 I CA 1.065 62.356 61.300 -0.015 0.000 1.397 605 I CB -0.055 37.977 38.000 0.053 0.000 1.072 605 I HN 0.159 nan 8.210 nan 0.000 0.417 606 I N 2.297 122.800 120.570 -0.112 0.000 2.313 606 I HA 0.127 4.297 4.170 -0.001 0.000 0.286 606 I C -0.195 175.774 176.117 -0.247 0.000 1.091 606 I CA -0.171 61.039 61.300 -0.150 0.000 1.216 606 I CB 0.045 37.923 38.000 -0.202 0.000 1.434 606 I HN 0.158 nan 8.210 nan 0.000 0.487 607 N N 7.409 125.978 118.700 -0.218 0.000 2.443 607 N HA 0.378 5.118 4.740 -0.001 0.000 0.295 607 N C -2.083 173.246 175.510 -0.303 0.000 1.076 607 N CA -1.922 50.958 53.050 -0.284 0.000 0.919 607 N CB 2.610 41.004 38.487 -0.155 0.000 1.176 607 N HN 0.105 nan 8.380 nan 0.000 0.487 608 P HA 0.068 nan 4.420 nan 0.000 0.230 608 P C 0.712 177.997 177.300 -0.026 0.000 1.168 608 P CA 0.797 63.785 63.100 -0.187 0.000 0.793 608 P CB 0.287 31.849 31.700 -0.231 0.000 0.851 609 R N -1.343 119.120 120.500 -0.062 0.000 2.310 609 R HA 0.132 4.472 4.340 -0.001 0.000 0.202 609 R C -0.266 176.032 176.300 -0.005 0.000 0.933 609 R CA 0.127 56.217 56.100 -0.017 0.000 1.054 609 R CB -0.449 29.834 30.300 -0.028 0.000 0.985 609 R HN 0.049 nan 8.270 nan 0.000 0.489 610 D N 1.750 122.141 120.400 -0.014 0.000 2.329 610 D HA 0.109 4.748 4.640 -0.001 0.000 0.246 610 D C -0.381 175.938 176.300 0.032 0.000 1.111 610 D CA -0.225 53.772 54.000 -0.004 0.000 0.941 610 D CB 0.686 41.469 40.800 -0.028 0.000 1.169 610 D HN 0.038 nan 8.370 nan 0.000 0.441 611 D N 0.355 120.776 120.400 0.036 0.000 2.423 611 D HA -0.081 4.558 4.640 -0.001 0.000 0.238 611 D C 1.074 177.434 176.300 0.100 0.000 1.142 611 D CA -0.127 53.919 54.000 0.077 0.000 0.884 611 D CB 0.490 41.328 40.800 0.064 0.000 1.199 611 D HN 0.269 nan 8.370 nan 0.000 0.438 612 F N 2.233 122.200 119.950 0.029 0.000 2.120 612 F HA -0.257 4.269 4.527 -0.001 0.000 0.300 612 F C 2.309 178.131 175.800 0.036 0.000 1.095 612 F CA 1.756 59.780 58.000 0.039 0.000 1.249 612 F CB 0.040 39.063 39.000 0.038 0.000 0.995 612 F HN 0.375 nan 8.300 nan 0.000 0.480 613 K N 0.430 120.884 120.400 0.089 0.000 2.063 613 K HA -0.172 4.148 4.320 -0.001 0.000 0.208 613 K C 2.177 178.714 176.600 -0.104 0.000 1.048 613 K CA 1.581 57.868 56.287 0.001 0.000 0.928 613 K CB -1.069 31.470 32.500 0.066 0.000 0.713 613 K HN 0.281 nan 8.250 nan 0.000 0.442 614 A N 1.971 124.746 122.820 -0.075 0.000 1.855 614 A HA -0.138 4.181 4.320 -0.001 0.000 0.215 614 A C 2.331 179.839 177.584 -0.126 0.000 1.191 614 A CA 1.538 53.530 52.037 -0.075 0.000 0.613 614 A CB -0.621 18.355 19.000 -0.040 0.000 0.829 614 A HN 0.424 nan 8.150 nan 0.000 0.442 615 R N -0.435 119.959 120.500 -0.177 0.000 2.081 615 R HA -0.099 4.241 4.340 -0.001 0.000 0.235 615 R C 2.293 178.419 176.300 -0.290 0.000 1.131 615 R CA 1.477 57.458 56.100 -0.197 0.000 0.960 615 R CB -0.409 29.796 30.300 -0.157 0.000 0.856 615 R HN 0.446 nan 8.270 nan 0.000 0.436 616 A N 0.880 123.374 122.820 -0.543 0.000 1.902 616 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 616 A C 2.167 179.635 177.584 -0.193 0.000 1.181 616 A CA 1.525 53.264 52.037 -0.496 0.000 0.623 616 A CB -0.435 18.110 19.000 -0.759 0.000 0.818 616 A HN 0.349 nan 8.150 nan 0.000 0.443 617 R N -0.487 119.925 120.500 -0.148 0.000 2.070 617 R HA -0.079 4.261 4.340 -0.001 0.000 0.233 617 R C 2.049 178.319 176.300 -0.049 0.000 1.137 617 R CA 1.765 57.824 56.100 -0.069 0.000 0.945 617 R CB -0.575 29.692 30.300 -0.055 0.000 0.845 617 R HN 0.588 nan 8.270 nan 0.000 0.430 618 I N 0.649 121.188 120.570 -0.052 0.000 2.118 618 I HA -0.369 3.800 4.170 -0.001 0.000 0.241 618 I C 2.456 178.604 176.117 0.051 0.000 1.070 618 I CA 1.660 62.958 61.300 -0.004 0.000 1.327 618 I CB -0.287 37.726 38.000 0.022 0.000 1.034 618 I HN 0.211 nan 8.210 nan 0.000 0.405 619 M N -0.022 119.577 119.600 -0.002 0.000 2.229 619 M HA -0.128 4.351 4.480 -0.001 0.000 0.264 619 M C 2.407 178.763 176.300 0.093 0.000 1.063 619 M CA 1.744 57.026 55.300 -0.030 0.000 1.114 619 M CB -0.486 31.997 32.600 -0.195 0.000 1.387 619 M HN 0.348 nan 8.290 nan 0.000 0.420 620 A N 0.176 123.042 122.820 0.076 0.000 1.887 620 A HA -0.072 4.247 4.320 -0.001 0.000 0.212 620 A C 1.668 179.297 177.584 0.074 0.000 1.198 620 A CA 1.226 53.330 52.037 0.112 0.000 0.628 620 A CB -0.239 18.809 19.000 0.080 0.000 0.847 620 A HN 0.312 nan 8.150 nan 0.000 0.449 621 D N -0.173 120.239 120.400 0.020 0.000 2.240 621 D HA -0.009 4.630 4.640 -0.001 0.000 0.206 621 D C 0.927 177.189 176.300 -0.063 0.000 0.963 621 D CA 0.877 54.870 54.000 -0.012 0.000 0.863 621 D CB -0.099 40.687 40.800 -0.024 0.000 0.973 621 D HN 0.470 nan 8.370 nan 0.000 0.501 622 D N -0.739 119.582 120.400 -0.131 0.000 2.379 622 D HA -0.011 4.628 4.640 -0.001 0.000 0.218 622 D C 0.764 176.778 176.300 -0.476 0.000 1.006 622 D CA 0.351 54.148 54.000 -0.338 0.000 0.893 622 D CB 0.332 40.827 40.800 -0.508 0.000 1.019 622 D HN 0.240 nan 8.370 nan 0.000 0.503 623 Y N 0.592 120.900 120.300 0.013 0.000 2.555 623 Y HA 0.307 4.857 4.550 -0.001 0.000 0.259 623 Y C 1.529 177.550 175.900 0.201 0.000 1.179 623 Y CA -0.278 57.855 58.100 0.055 0.000 1.230 623 Y CB 0.671 39.089 38.460 -0.069 0.000 1.146 623 Y HN -0.054 nan 8.280 nan 0.000 0.526 624 G N -0.335 108.609 108.800 0.240 0.000 2.321 624 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.287 624 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.287 624 G C -0.052 175.055 174.900 0.345 0.000 1.018 624 G CA -0.012 45.232 45.100 0.240 0.000 0.855 624 G HN 0.284 nan 8.290 nan 0.000 0.507 625 W N 0.081 121.429 121.300 0.079 0.000 2.183 625 W HA 0.529 5.189 4.660 0.000 0.000 0.348 625 W C 0.586 177.130 176.519 0.043 0.000 1.257 625 W CA -0.784 56.597 57.345 0.060 0.000 1.324 625 W CB 0.308 29.808 29.460 0.067 0.000 1.144 625 W HN 0.102 nan 8.180 nan 0.000 0.622 626 D N 0.368 120.860 120.400 0.154 0.000 2.455 626 D HA -0.043 4.596 4.640 -0.001 0.000 0.241 626 D C 1.140 177.536 176.300 0.160 0.000 1.138 626 D CA 0.177 54.237 54.000 0.100 0.000 0.877 626 D CB 1.258 42.075 40.800 0.028 0.000 1.187 626 D HN 0.163 nan 8.370 nan 0.000 0.451 627 V N 2.848 122.837 119.914 0.124 0.000 2.867 627 V HA -0.189 3.930 4.120 -0.001 0.000 0.260 627 V C 1.918 178.099 176.094 0.145 0.000 1.099 627 V CA 2.397 64.774 62.300 0.128 0.000 1.122 627 V CB -0.522 31.358 31.823 0.094 0.000 0.708 627 V HN 0.842 nan 8.190 nan 0.000 0.490 628 T N -4.363 110.268 114.554 0.127 0.000 3.081 628 T HA -0.018 4.332 4.350 -0.001 0.000 0.250 628 T C 1.328 176.121 174.700 0.156 0.000 1.100 628 T CA 0.682 62.861 62.100 0.130 0.000 1.038 628 T CB -0.215 68.703 68.868 0.083 0.000 0.962 628 T HN 0.459 nan 8.240 nan 0.000 0.516 629 D N 2.272 122.783 120.400 0.183 0.000 2.103 629 D HA 0.102 4.742 4.640 -0.001 0.000 0.199 629 D C 2.517 178.976 176.300 0.266 0.000 0.978 629 D CA 1.413 55.541 54.000 0.213 0.000 0.829 629 D CB -0.776 40.199 40.800 0.292 0.000 0.981 629 D HN 0.524 nan 8.370 nan 0.000 0.464 630 A N 1.060 124.053 122.820 0.288 0.000 1.971 630 A HA -0.284 4.036 4.320 -0.001 0.000 0.222 630 A C 2.168 180.061 177.584 0.515 0.000 1.182 630 A CA 2.038 54.245 52.037 0.284 0.000 0.649 630 A CB -0.686 18.361 19.000 0.078 0.000 0.818 630 A HN 0.164 nan 8.150 nan 0.000 0.458 631 R N -0.569 120.227 120.500 0.495 0.000 2.236 631 R HA 0.012 4.352 4.340 -0.001 0.000 0.208 631 R C 1.527 177.939 176.300 0.187 0.000 1.036 631 R CA 1.189 57.466 56.100 0.295 0.000 1.001 631 R CB -0.059 30.301 30.300 0.101 0.000 0.896 631 R HN 0.564 nan 8.270 nan 0.000 0.464 632 K N 0.606 121.131 120.400 0.208 0.000 2.379 632 K HA 0.099 4.419 4.320 -0.001 0.000 0.194 632 K C 0.714 177.467 176.600 0.256 0.000 1.031 632 K CA 0.057 56.470 56.287 0.210 0.000 1.037 632 K CB 0.100 32.673 32.500 0.123 0.000 0.824 632 K HN 0.267 nan 8.250 nan 0.000 0.516 633 I N -1.206 119.486 120.570 0.203 0.000 2.668 633 I HA -0.028 4.142 4.170 -0.001 0.000 0.285 633 I C 0.107 176.377 176.117 0.255 0.000 1.168 633 I CA -0.220 61.147 61.300 0.112 0.000 1.424 633 I CB 0.433 38.412 38.000 -0.035 0.000 1.377 633 I HN 0.035 nan 8.210 nan 0.000 0.560 634 W N 6.398 127.620 121.300 -0.130 0.000 2.576 634 W HA 0.215 4.875 4.660 -0.001 0.000 0.275 634 W C 0.835 177.306 176.519 -0.081 0.000 1.241 634 W CA 0.240 57.531 57.345 -0.090 0.000 1.328 634 W CB -0.320 29.077 29.460 -0.105 0.000 1.092 634 W HN 0.927 nan 8.180 nan 0.000 0.586 635 C N -3.507 115.821 119.300 0.046 0.000 3.231 635 C HA 0.629 5.089 4.460 -0.001 0.000 0.343 635 C C -0.998 173.943 174.990 -0.083 0.000 1.349 635 C CA -1.882 57.177 59.018 0.067 0.000 1.209 635 C CB 0.392 28.237 27.740 0.176 0.000 1.475 635 C HN -0.094 nan 8.230 nan 0.000 0.460 636 F N 0.812 120.859 119.950 0.162 0.000 2.508 636 F HA 0.792 5.319 4.527 0.000 0.000 0.325 636 F C 0.882 176.861 175.800 0.298 0.000 1.090 636 F CA 0.629 58.751 58.000 0.204 0.000 0.945 636 F CB 2.547 41.617 39.000 0.116 0.000 1.156 636 F HN 1.165 nan 8.300 nan 0.000 0.463 637 G N 2.187 111.310 108.800 0.539 0.000 2.660 637 G HA2 0.689 4.649 3.960 -0.001 0.000 0.294 637 G HA3 0.689 4.649 3.960 -0.001 0.000 0.294 637 G C -3.291 171.688 174.900 0.132 0.000 1.369 637 G CA -1.672 43.613 45.100 0.308 0.000 0.912 637 G HN 0.265 nan 8.290 nan 0.000 0.479 638 P HA 0.252 nan 4.420 nan 0.000 0.306 638 P C -0.562 176.782 177.300 0.072 0.000 1.309 638 P CA -0.104 63.015 63.100 0.032 0.000 0.759 638 P CB 1.041 32.725 31.700 -0.026 0.000 1.314 639 D N -1.679 118.753 120.400 0.053 0.000 2.792 639 D HA -0.233 4.407 4.640 -0.001 0.000 0.231 639 D C 1.138 177.483 176.300 0.075 0.000 1.160 639 D CA 1.572 55.600 54.000 0.047 0.000 0.697 639 D CB -1.731 39.081 40.800 0.021 0.000 1.070 639 D HN 0.844 nan 8.370 nan 0.000 0.426 640 G N 1.146 110.025 108.800 0.132 0.000 2.377 640 G HA2 -0.412 3.548 3.960 -0.001 0.000 0.250 640 G HA3 -0.412 3.548 3.960 -0.001 0.000 0.250 640 G C 0.580 175.591 174.900 0.185 0.000 1.039 640 G CA 0.921 46.121 45.100 0.166 0.000 0.625 640 G HN 0.642 nan 8.290 nan 0.000 0.526 641 N N 0.551 119.315 118.700 0.105 0.000 2.305 641 N HA 0.467 5.206 4.740 -0.001 0.000 0.248 641 N C 0.753 176.284 175.510 0.034 0.000 1.290 641 N CA 0.765 53.807 53.050 -0.014 0.000 0.873 641 N CB 0.009 38.421 38.487 -0.125 0.000 1.261 641 N HN 0.784 nan 8.380 nan 0.000 0.504 642 G N 0.941 109.828 108.800 0.146 0.000 2.634 642 G HA2 0.310 4.270 3.960 -0.001 0.000 0.255 642 G HA3 0.310 4.270 3.960 -0.001 0.000 0.255 642 G C -2.092 172.928 174.900 0.201 0.000 1.205 642 G CA -1.272 43.901 45.100 0.121 0.000 0.884 642 G HN 0.083 nan 8.290 nan 0.000 0.549 643 P HA 0.126 nan 4.420 nan 0.000 0.228 643 P C -0.873 176.537 177.300 0.184 0.000 1.748 643 P CA 0.019 63.213 63.100 0.158 0.000 0.909 643 P CB -0.211 31.535 31.700 0.075 0.000 1.882 644 N N 1.008 119.870 118.700 0.271 0.000 2.287 644 N HA 0.432 5.172 4.740 -0.001 0.000 0.289 644 N C -0.723 175.000 175.510 0.355 0.000 1.066 644 N CA -0.459 52.777 53.050 0.311 0.000 0.841 644 N CB 2.265 40.916 38.487 0.272 0.000 1.599 644 N HN 0.063 nan 8.380 nan 0.000 0.476 645 L N 0.575 121.937 121.223 0.232 0.000 2.333 645 L HA 0.683 5.023 4.340 -0.001 0.000 0.263 645 L C -0.554 176.109 176.870 -0.346 0.000 1.014 645 L CA -1.130 53.645 54.840 -0.109 0.000 0.820 645 L CB 2.423 44.413 42.059 -0.115 0.000 1.352 645 L HN 0.120 nan 8.230 nan 0.000 0.421 646 V N 2.728 122.289 119.914 -0.588 0.000 2.325 646 V HA 0.392 4.512 4.120 -0.001 0.000 0.280 646 V C -0.546 175.317 176.094 -0.385 0.000 1.016 646 V CA -0.287 61.634 62.300 -0.632 0.000 0.818 646 V CB 1.361 32.703 31.823 -0.801 0.000 1.019 646 V HN 0.374 nan 8.190 nan 0.000 0.434 647 I N 3.685 124.076 120.570 -0.298 0.000 2.339 647 I HA 0.347 4.517 4.170 -0.001 0.000 0.290 647 I C 0.196 176.117 176.117 -0.326 0.000 0.994 647 I CA -0.254 60.917 61.300 -0.215 0.000 1.191 647 I CB 1.576 39.521 38.000 -0.091 0.000 1.343 647 I HN 0.545 nan 8.210 nan 0.000 0.458 648 D N 6.622 126.787 120.400 -0.391 0.000 2.383 648 D HA 0.053 4.693 4.640 -0.001 0.000 0.245 648 D C -0.017 176.196 176.300 -0.145 0.000 1.263 648 D CA 0.149 53.905 54.000 -0.406 0.000 0.936 648 D CB 0.507 41.120 40.800 -0.313 0.000 1.053 648 D HN 0.492 nan 8.370 nan 0.000 0.507 649 Q N 2.517 122.231 119.800 -0.144 0.000 2.237 649 Q HA 0.110 4.450 4.340 -0.001 0.000 0.252 649 Q C 0.636 176.601 176.000 -0.059 0.000 0.877 649 Q CA -0.246 55.511 55.803 -0.077 0.000 1.011 649 Q CB 0.362 29.052 28.738 -0.079 0.000 1.118 649 Q HN 0.581 nan 8.270 nan 0.000 0.458 650 T N -2.554 111.971 114.554 -0.050 0.000 2.793 650 T HA 0.349 4.699 4.350 -0.001 0.000 0.299 650 T C 0.586 175.282 174.700 -0.007 0.000 1.038 650 T CA -0.284 61.799 62.100 -0.027 0.000 0.948 650 T CB 1.625 70.491 68.868 -0.004 0.000 1.231 650 T HN 0.075 nan 8.240 nan 0.000 0.538 651 K N -1.122 119.276 120.400 -0.004 0.000 2.974 651 K HA 0.562 4.882 4.320 -0.001 0.000 0.295 651 K C 2.098 178.698 176.600 0.001 0.000 1.620 651 K CA -0.096 56.189 56.287 -0.004 0.000 1.124 651 K CB -0.613 31.875 32.500 -0.020 0.000 3.020 651 K HN 0.430 nan 8.250 nan 0.000 0.895 652 A N 1.805 124.617 122.820 -0.013 0.000 2.272 652 A HA 0.037 4.356 4.320 -0.001 0.000 0.213 652 A C 0.464 178.045 177.584 -0.004 0.000 1.183 652 A CA 0.556 52.584 52.037 -0.015 0.000 0.719 652 A CB -0.816 18.170 19.000 -0.024 0.000 0.771 652 A HN 0.138 nan 8.150 nan 0.000 0.484 653 V N 1.269 121.192 119.914 0.014 0.000 2.475 653 V HA -0.089 4.031 4.120 -0.001 0.000 0.292 653 V C 1.379 177.497 176.094 0.041 0.000 1.003 653 V CA 0.880 63.205 62.300 0.041 0.000 1.120 653 V CB 0.139 32.006 31.823 0.074 0.000 0.937 653 V HN 0.806 nan 8.190 nan 0.000 0.476 654 Q N 5.113 124.918 119.800 0.008 0.000 1.856 654 Q HA -0.160 4.180 4.340 -0.001 0.000 0.228 654 Q C 1.064 177.007 176.000 -0.096 0.000 0.987 654 Q CA 1.961 57.705 55.803 -0.099 0.000 0.873 654 Q CB -0.191 28.435 28.738 -0.187 0.000 0.928 654 Q HN 0.749 nan 8.270 nan 0.000 0.425 655 Y N 0.787 121.108 120.300 0.034 0.000 2.506 655 Y HA 0.020 4.569 4.550 -0.001 0.000 0.335 655 Y C 1.370 177.211 175.900 -0.099 0.000 1.218 655 Y CA -0.000 58.039 58.100 -0.101 0.000 1.260 655 Y CB -0.343 38.054 38.460 -0.104 0.000 1.085 655 Y HN 0.324 nan 8.280 nan 0.000 0.495 656 L N 0.686 122.017 121.223 0.179 0.000 2.151 656 L HA -0.303 4.036 4.340 -0.001 0.000 0.215 656 L C 2.561 179.596 176.870 0.276 0.000 1.084 656 L CA 2.011 57.002 54.840 0.252 0.000 0.764 656 L CB -0.441 41.787 42.059 0.283 0.000 0.891 656 L HN 0.501 nan 8.230 nan 0.000 0.435 657 H N -2.187 116.969 119.070 0.142 0.000 2.539 657 H HA 0.131 4.686 4.556 -0.001 0.000 0.267 657 H C 1.164 176.504 175.328 0.020 0.000 0.982 657 H CA 0.570 56.628 56.048 0.018 0.000 1.146 657 H CB -0.173 29.571 29.762 -0.030 0.000 1.382 657 H HN 0.532 nan 8.280 nan 0.000 0.577 658 E N 1.466 121.513 120.200 -0.255 0.000 2.250 658 E HA 0.031 4.381 4.350 -0.001 0.000 0.192 658 E C 2.097 178.683 176.600 -0.025 0.000 0.986 658 E CA 0.629 56.944 56.400 -0.142 0.000 0.849 658 E CB 0.382 30.009 29.700 -0.122 0.000 0.797 658 E HN 0.679 nan 8.360 nan 0.000 0.482 659 I N -1.583 119.014 120.570 0.045 0.000 3.728 659 I HA 0.128 4.298 4.170 -0.001 0.000 0.307 659 I C 2.210 178.417 176.117 0.151 0.000 1.276 659 I CA 0.031 61.396 61.300 0.108 0.000 1.285 659 I CB -0.011 38.084 38.000 0.160 0.000 1.038 659 I HN -0.161 nan 8.210 nan 0.000 0.445 660 K N 2.037 122.468 120.400 0.052 0.000 2.077 660 K HA -0.280 4.040 4.320 -0.001 0.000 0.213 660 K C 1.381 177.994 176.600 0.022 0.000 1.051 660 K CA 2.774 58.982 56.287 -0.131 0.000 0.929 660 K CB -0.161 31.905 32.500 -0.724 0.000 0.715 660 K HN 0.375 nan 8.250 nan 0.000 0.451 661 D N -0.388 120.011 120.400 -0.001 0.000 2.144 661 D HA -0.100 4.540 4.640 -0.001 0.000 0.199 661 D C 1.914 178.273 176.300 0.099 0.000 0.984 661 D CA 1.221 55.244 54.000 0.038 0.000 0.834 661 D CB -0.038 40.772 40.800 0.018 0.000 0.955 661 D HN 0.131 nan 8.370 nan 0.000 0.465 662 S N -0.591 115.177 115.700 0.114 0.000 2.357 662 S HA -0.083 4.387 4.470 -0.001 0.000 0.221 662 S C 2.230 176.938 174.600 0.180 0.000 1.031 662 S CA 0.449 58.728 58.200 0.132 0.000 0.982 662 S CB -0.160 63.107 63.200 0.112 0.000 0.853 662 S HN 0.078 nan 8.310 nan 0.000 0.458 663 V N 1.641 121.697 119.914 0.236 0.000 2.343 663 V HA -0.138 3.982 4.120 -0.001 0.000 0.247 663 V C 2.307 178.580 176.094 0.298 0.000 1.051 663 V CA 1.378 63.840 62.300 0.270 0.000 1.036 663 V CB -0.786 31.256 31.823 0.365 0.000 0.654 663 V HN 0.315 nan 8.190 nan 0.000 0.451 664 V N 0.380 120.479 119.914 0.309 0.000 2.295 664 V HA -0.280 3.840 4.120 -0.001 0.000 0.246 664 V C 2.732 178.998 176.094 0.286 0.000 1.049 664 V CA 2.179 64.654 62.300 0.293 0.000 1.024 664 V CB -1.184 30.768 31.823 0.215 0.000 0.648 664 V HN 0.564 nan 8.190 nan 0.000 0.447 665 A N -0.062 122.888 122.820 0.217 0.000 1.902 665 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 665 A C 2.418 180.158 177.584 0.259 0.000 1.181 665 A CA 2.125 54.279 52.037 0.194 0.000 0.623 665 A CB -0.830 18.256 19.000 0.143 0.000 0.818 665 A HN 0.593 nan 8.150 nan 0.000 0.443 666 A N -1.507 121.470 122.820 0.263 0.000 1.933 666 A HA -0.055 4.265 4.320 -0.001 0.000 0.218 666 A C 2.020 179.751 177.584 0.245 0.000 1.175 666 A CA 1.614 53.802 52.037 0.251 0.000 0.628 666 A CB -0.650 18.439 19.000 0.149 0.000 0.814 666 A HN 0.610 nan 8.150 nan 0.000 0.444 667 F N 0.491 120.517 119.950 0.125 0.000 2.163 667 F HA -0.134 4.392 4.527 -0.001 0.000 0.297 667 F C 2.451 178.331 175.800 0.133 0.000 1.094 667 F CA 1.832 59.894 58.000 0.104 0.000 1.290 667 F CB -0.131 38.930 39.000 0.102 0.000 1.017 667 F HN 0.192 nan 8.300 nan 0.000 0.483 668 Q N -0.677 119.260 119.800 0.230 0.000 2.234 668 Q HA -0.247 4.093 4.340 -0.001 0.000 0.206 668 Q C 1.985 178.046 176.000 0.102 0.000 0.980 668 Q CA 1.308 57.188 55.803 0.128 0.000 0.869 668 Q CB -0.924 27.902 28.738 0.147 0.000 0.912 668 Q HN 0.604 nan 8.270 nan 0.000 0.436 669 W N 0.984 122.242 121.300 -0.070 0.000 2.452 669 W HA 0.077 4.736 4.660 -0.000 0.000 0.313 669 W C 2.206 178.652 176.519 -0.122 0.000 1.176 669 W CA 1.487 58.782 57.345 -0.084 0.000 1.350 669 W CB -0.839 28.578 29.460 -0.072 0.000 1.148 669 W HN 0.078 nan 8.180 nan 0.000 0.498 670 A N 0.229 123.078 122.820 0.047 0.000 1.978 670 A HA -0.228 4.092 4.320 -0.001 0.000 0.220 670 A C 1.966 179.475 177.584 -0.126 0.000 1.170 670 A CA 3.145 55.146 52.037 -0.062 0.000 0.636 670 A CB -1.353 17.547 19.000 -0.167 0.000 0.810 670 A HN 0.414 nan 8.150 nan 0.000 0.448 671 T N -3.169 111.217 114.554 -0.280 0.000 3.043 671 T HA 0.015 4.365 4.350 -0.001 0.000 0.263 671 T C 1.749 176.352 174.700 -0.163 0.000 1.094 671 T CA 1.393 63.307 62.100 -0.311 0.000 1.127 671 T CB -0.042 68.549 68.868 -0.461 0.000 0.905 671 T HN 0.292 nan 8.240 nan 0.000 0.490 672 K N 2.133 122.491 120.400 -0.071 0.000 2.155 672 K HA 0.059 4.378 4.320 -0.001 0.000 0.203 672 K C 0.386 176.953 176.600 -0.055 0.000 1.052 672 K CA 0.879 57.138 56.287 -0.047 0.000 0.948 672 K CB 0.111 32.605 32.500 -0.009 0.000 0.728 672 K HN 0.596 nan 8.250 nan 0.000 0.448 673 E N 0.149 120.344 120.200 -0.009 0.000 2.580 673 E HA 0.264 4.614 4.350 -0.001 0.000 0.248 673 E C -0.451 176.099 176.600 -0.084 0.000 1.018 673 E CA -0.503 55.875 56.400 -0.037 0.000 0.775 673 E CB 1.235 30.967 29.700 0.055 0.000 1.378 673 E HN 0.280 nan 8.360 nan 0.000 0.401 674 G N 3.020 111.673 108.800 -0.244 0.000 2.744 674 G HA2 0.033 3.993 3.960 -0.001 0.000 0.257 674 G HA3 0.033 3.993 3.960 -0.001 0.000 0.257 674 G C -1.233 173.311 174.900 -0.593 0.000 1.244 674 G CA -0.670 44.134 45.100 -0.494 0.000 0.916 674 G HN 0.269 nan 8.290 nan 0.000 0.564 675 P HA 0.029 nan 4.420 nan 0.000 0.230 675 P C 1.848 179.012 177.300 -0.227 0.000 1.168 675 P CA 0.510 63.097 63.100 -0.855 0.000 0.793 675 P CB 0.309 31.242 31.700 -1.278 0.000 0.851 676 I N -0.043 120.482 120.570 -0.074 0.000 2.179 676 I HA -0.137 4.032 4.170 -0.001 0.000 0.242 676 I C 1.687 177.948 176.117 0.239 0.000 1.088 676 I CA 1.833 63.193 61.300 0.100 0.000 1.357 676 I CB -0.412 37.682 38.000 0.157 0.000 1.051 676 I HN -0.027 nan 8.210 nan 0.000 0.409 677 F N -2.200 117.706 119.950 -0.074 0.000 2.760 677 F HA 0.466 4.993 4.527 -0.000 0.000 0.326 677 F C 0.686 176.459 175.800 -0.045 0.000 1.268 677 F CA -0.194 57.791 58.000 -0.026 0.000 0.957 677 F CB -0.428 38.589 39.000 0.028 0.000 1.457 677 F HN 0.002 nan 8.300 nan 0.000 0.497 678 G N 0.630 109.389 108.800 -0.068 0.000 2.143 678 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.248 678 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.248 678 G C -0.127 174.605 174.900 -0.281 0.000 0.991 678 G CA 0.293 45.289 45.100 -0.174 0.000 0.689 678 G HN 0.472 nan 8.290 nan 0.000 0.522 679 E N 0.451 120.418 120.200 -0.388 0.000 2.283 679 E HA 0.356 4.706 4.350 -0.001 0.000 0.267 679 E C 0.704 177.164 176.600 -0.234 0.000 1.045 679 E CA -0.565 55.615 56.400 -0.368 0.000 0.884 679 E CB 0.719 30.113 29.700 -0.510 0.000 1.106 679 E HN 0.558 nan 8.360 nan 0.000 0.408 680 E N 1.088 121.167 120.200 -0.203 0.000 2.418 680 E HA 0.027 4.376 4.350 -0.001 0.000 0.261 680 E C 0.023 176.496 176.600 -0.211 0.000 1.070 680 E CA 0.285 56.571 56.400 -0.191 0.000 0.931 680 E CB 0.595 30.191 29.700 -0.174 0.000 0.954 680 E HN 0.230 nan 8.360 nan 0.000 0.439 681 M N 1.862 121.337 119.600 -0.208 0.000 2.291 681 M HA 0.390 4.869 4.480 -0.001 0.000 0.324 681 M C 0.069 176.288 176.300 -0.136 0.000 1.148 681 M CA -0.114 55.077 55.300 -0.182 0.000 1.104 681 M CB 1.254 33.727 32.600 -0.211 0.000 1.483 681 M HN 0.338 nan 8.290 nan 0.000 0.467 682 R N -0.253 120.199 120.500 -0.080 0.000 2.584 682 R HA 0.316 4.656 4.340 -0.001 0.000 0.276 682 R C -0.754 175.554 176.300 0.014 0.000 1.046 682 R CA -0.081 55.967 56.100 -0.086 0.000 0.906 682 R CB 1.432 31.579 30.300 -0.255 0.000 1.215 682 R HN 0.834 nan 8.270 nan 0.000 0.449 683 S N 0.516 116.247 115.700 0.051 0.000 3.635 683 S HA -0.128 4.341 4.470 -0.001 0.000 0.328 683 S C -0.428 174.247 174.600 0.125 0.000 1.135 683 S CA 0.891 59.147 58.200 0.093 0.000 0.942 683 S CB -1.321 61.924 63.200 0.076 0.000 0.930 683 S HN 0.364 nan 8.310 nan 0.000 0.512 684 V N 1.745 121.751 119.914 0.153 0.000 2.398 684 V HA 0.572 4.691 4.120 -0.001 0.000 0.286 684 V C 0.456 176.679 176.094 0.216 0.000 1.026 684 V CA -0.576 61.838 62.300 0.189 0.000 0.868 684 V CB 1.738 33.706 31.823 0.241 0.000 0.982 684 V HN 0.435 nan 8.190 nan 0.000 0.443 685 R N 3.930 124.528 120.500 0.164 0.000 2.437 685 R HA 0.722 5.062 4.340 -0.001 0.000 0.310 685 R C -1.885 174.467 176.300 0.087 0.000 0.955 685 R CA -0.407 55.769 56.100 0.127 0.000 0.851 685 R CB 1.928 32.275 30.300 0.078 0.000 1.161 685 R HN 0.517 nan 8.270 nan 0.000 0.446 686 V N 4.816 124.771 119.914 0.068 0.000 2.384 686 V HA 0.307 4.427 4.120 -0.001 0.000 0.287 686 V C -0.538 175.505 176.094 -0.084 0.000 1.020 686 V CA -0.953 61.366 62.300 0.030 0.000 0.850 686 V CB 1.664 33.556 31.823 0.115 0.000 0.987 686 V HN 0.741 nan 8.190 nan 0.000 0.436 687 N N 4.975 123.629 118.700 -0.078 0.000 2.485 687 N HA 0.429 5.169 4.740 -0.001 0.000 0.243 687 N C -0.236 175.202 175.510 -0.119 0.000 0.987 687 N CA -0.310 52.670 53.050 -0.116 0.000 0.940 687 N CB 1.896 40.328 38.487 -0.091 0.000 1.122 687 N HN 0.580 nan 8.380 nan 0.000 0.509 688 I N 3.934 124.386 120.570 -0.196 0.000 2.472 688 I HA -0.041 4.129 4.170 -0.001 0.000 0.305 688 I C 1.771 177.819 176.117 -0.114 0.000 1.196 688 I CA -0.038 61.155 61.300 -0.178 0.000 1.613 688 I CB 0.003 37.803 38.000 -0.332 0.000 1.501 688 I HN 0.402 nan 8.210 nan 0.000 0.754 689 L N 2.943 124.135 121.223 -0.051 0.000 2.013 689 L HA -0.151 4.189 4.340 -0.001 0.000 0.212 689 L C 0.704 177.548 176.870 -0.043 0.000 1.073 689 L CA 1.499 56.317 54.840 -0.037 0.000 0.753 689 L CB -0.335 41.723 42.059 -0.002 0.000 0.890 689 L HN 0.629 nan 8.230 nan 0.000 0.432 690 D N -2.540 117.856 120.400 -0.007 0.000 2.654 690 D HA 0.490 5.129 4.640 -0.001 0.000 0.231 690 D C -1.438 174.908 176.300 0.076 0.000 1.239 690 D CA -0.328 53.643 54.000 -0.049 0.000 0.790 690 D CB 2.156 42.814 40.800 -0.236 0.000 1.480 690 D HN -0.260 nan 8.370 nan 0.000 0.442 691 V N 0.972 120.918 119.914 0.053 0.000 2.841 691 V HA 0.648 4.767 4.120 -0.001 0.000 0.310 691 V C -0.367 175.795 176.094 0.115 0.000 1.090 691 V CA -0.716 61.670 62.300 0.143 0.000 0.930 691 V CB 2.093 33.985 31.823 0.115 0.000 1.014 691 V HN 0.789 nan 8.190 nan 0.000 0.425 692 T N 2.236 116.898 114.554 0.179 0.000 3.250 692 T HA 0.657 5.007 4.350 -0.001 0.000 0.391 692 T C -0.339 174.454 174.700 0.154 0.000 1.502 692 T CA -0.394 61.792 62.100 0.143 0.000 1.320 692 T CB -0.057 68.909 68.868 0.165 0.000 1.102 692 T HN 0.311 nan 8.240 nan 0.000 0.610 693 L N 1.583 122.894 121.223 0.147 0.000 2.505 693 L HA 0.516 4.856 4.340 -0.001 0.000 0.226 693 L C 1.182 178.156 176.870 0.172 0.000 1.211 693 L CA -1.068 53.871 54.840 0.164 0.000 0.828 693 L CB 0.211 42.371 42.059 0.167 0.000 1.331 693 L HN 0.584 nan 8.230 nan 0.000 0.513 694 H N -1.104 117.997 119.070 0.052 0.000 2.497 694 H HA 0.400 4.955 4.556 -0.001 0.000 0.331 694 H C 0.344 175.655 175.328 -0.029 0.000 1.457 694 H CA 0.280 56.321 56.048 -0.013 0.000 1.459 694 H CB 1.456 31.205 29.762 -0.022 0.000 1.728 694 H HN 0.534 nan 8.280 nan 0.000 0.691 695 A N 0.246 122.651 122.820 -0.692 0.000 2.014 695 A HA 0.140 4.460 4.320 -0.001 0.000 0.210 695 A C -0.012 177.361 177.584 -0.351 0.000 1.188 695 A CA 0.458 52.254 52.037 -0.402 0.000 0.731 695 A CB -0.040 18.714 19.000 -0.411 0.000 0.858 695 A HN 0.710 nan 8.150 nan 0.000 0.464 696 D N -1.228 119.040 120.400 -0.220 0.000 2.217 696 D HA 0.590 5.230 4.640 -0.001 0.000 0.248 696 D C 0.933 177.239 176.300 0.010 0.000 1.008 696 D CA 0.412 54.375 54.000 -0.063 0.000 0.914 696 D CB 1.594 42.413 40.800 0.033 0.000 1.182 696 D HN 0.097 nan 8.370 nan 0.000 0.451 697 A N 1.736 124.521 122.820 -0.058 0.000 2.014 697 A HA -0.100 4.220 4.320 -0.001 0.000 0.218 697 A C 1.931 179.552 177.584 0.062 0.000 1.163 697 A CA 0.684 52.698 52.037 -0.038 0.000 0.652 697 A CB -0.509 18.450 19.000 -0.067 0.000 0.808 697 A HN 0.567 nan 8.150 nan 0.000 0.449 698 I N -0.016 120.633 120.570 0.131 0.000 2.248 698 I HA -0.219 3.950 4.170 -0.001 0.000 0.248 698 I C 0.967 177.194 176.117 0.184 0.000 1.107 698 I CA 1.528 62.939 61.300 0.185 0.000 1.373 698 I CB -1.482 36.703 38.000 0.309 0.000 1.055 698 I HN 0.397 nan 8.210 nan 0.000 0.418 699 H N 0.328 119.409 119.070 0.019 0.000 2.503 699 H HA 0.339 4.895 4.556 -0.001 0.000 0.296 699 H C 0.881 176.218 175.328 0.015 0.000 1.097 699 H CA -0.008 56.029 56.048 -0.017 0.000 1.055 699 H CB 0.091 29.758 29.762 -0.160 0.000 1.580 699 H HN 0.204 nan 8.280 nan 0.000 0.546 700 R N -1.089 119.476 120.500 0.108 0.000 2.471 700 R HA 0.169 4.509 4.340 -0.001 0.000 0.326 700 R C 1.128 177.454 176.300 0.044 0.000 0.875 700 R CA 0.079 56.227 56.100 0.080 0.000 1.102 700 R CB 1.061 31.410 30.300 0.082 0.000 1.749 700 R HN 0.278 nan 8.270 nan 0.000 0.487 701 G N -0.067 108.749 108.800 0.027 0.000 2.518 701 G HA2 0.089 4.049 3.960 -0.001 0.000 0.284 701 G HA3 0.089 4.049 3.960 -0.001 0.000 0.284 701 G C 1.103 176.019 174.900 0.026 0.000 1.362 701 G CA 0.170 45.281 45.100 0.018 0.000 1.065 701 G HN 0.179 nan 8.290 nan 0.000 0.561 702 G N -0.118 108.698 108.800 0.026 0.000 2.545 702 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.217 702 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.217 702 G C 1.918 176.842 174.900 0.040 0.000 1.218 702 G CA 1.611 46.735 45.100 0.040 0.000 0.787 702 G HN 1.133 nan 8.290 nan 0.000 0.571 703 G N -0.555 108.260 108.800 0.024 0.000 2.517 703 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.222 703 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.222 703 G C 1.845 176.750 174.900 0.008 0.000 1.109 703 G CA 1.372 46.483 45.100 0.019 0.000 0.746 703 G HN 0.420 nan 8.290 nan 0.000 0.576 704 Q N -0.547 119.256 119.800 0.003 0.000 2.204 704 Q HA 0.121 4.460 4.340 -0.001 0.000 0.198 704 Q C 2.762 178.770 176.000 0.015 0.000 0.946 704 Q CA 0.221 56.022 55.803 -0.003 0.000 0.859 704 Q CB -0.055 28.679 28.738 -0.007 0.000 0.946 704 Q HN 0.424 nan 8.270 nan 0.000 0.474 705 I N 0.695 121.287 120.570 0.037 0.000 2.141 705 I HA -0.191 3.979 4.170 -0.001 0.000 0.236 705 I C 2.329 178.474 176.117 0.047 0.000 1.071 705 I CA 0.717 62.048 61.300 0.052 0.000 1.345 705 I CB -1.298 36.750 38.000 0.079 0.000 1.066 705 I HN 0.065 nan 8.210 nan 0.000 0.406 706 I N 1.436 122.047 120.570 0.068 0.000 2.093 706 I HA -0.274 3.895 4.170 -0.001 0.000 0.239 706 I C -0.410 175.703 176.117 -0.006 0.000 1.026 706 I CA 2.537 63.884 61.300 0.079 0.000 1.295 706 I CB -2.298 35.792 38.000 0.151 0.000 1.007 706 I HN 0.144 nan 8.210 nan 0.000 0.401 707 P HA -0.173 nan 4.420 nan 0.000 0.217 707 P C 1.569 178.809 177.300 -0.100 0.000 1.148 707 P CA 2.100 65.143 63.100 -0.096 0.000 0.834 707 P CB -0.278 31.389 31.700 -0.054 0.000 0.783 708 T N -1.884 112.638 114.554 -0.053 0.000 2.851 708 T HA -0.099 4.251 4.350 -0.001 0.000 0.262 708 T C 1.673 176.342 174.700 -0.052 0.000 1.043 708 T CA 1.136 63.208 62.100 -0.047 0.000 1.140 708 T CB -0.661 68.196 68.868 -0.018 0.000 0.872 708 T HN 0.011 nan 8.240 nan 0.000 0.446 709 M N 1.924 121.507 119.600 -0.029 0.000 2.091 709 M HA 0.059 4.538 4.480 -0.001 0.000 0.259 709 M C 2.263 178.512 176.300 -0.085 0.000 1.076 709 M CA 1.507 56.799 55.300 -0.012 0.000 1.111 709 M CB -0.732 31.899 32.600 0.053 0.000 1.291 709 M HN 0.064 nan 8.290 nan 0.000 0.417 710 R N -0.378 120.019 120.500 -0.171 0.000 2.168 710 R HA -0.300 4.040 4.340 -0.001 0.000 0.242 710 R C 2.475 178.469 176.300 -0.509 0.000 1.123 710 R CA 2.842 58.688 56.100 -0.423 0.000 0.928 710 R CB -0.685 29.231 30.300 -0.640 0.000 0.873 710 R HN 0.498 nan 8.270 nan 0.000 0.434 711 R N -0.354 119.924 120.500 -0.369 0.000 2.103 711 R HA -0.176 4.164 4.340 -0.001 0.000 0.242 711 R C 2.194 178.457 176.300 -0.062 0.000 1.142 711 R CA 1.849 57.829 56.100 -0.199 0.000 0.960 711 R CB -0.383 29.880 30.300 -0.062 0.000 0.858 711 R HN 0.452 nan 8.270 nan 0.000 0.439 712 A N -0.279 122.513 122.820 -0.046 0.000 1.930 712 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 712 A C 2.129 179.745 177.584 0.054 0.000 1.175 712 A CA 1.887 53.932 52.037 0.014 0.000 0.627 712 A CB -0.701 18.289 19.000 -0.016 0.000 0.815 712 A HN 0.466 nan 8.150 nan 0.000 0.443 713 T N -0.898 113.673 114.554 0.028 0.000 2.643 713 T HA -0.169 4.181 4.350 -0.001 0.000 0.264 713 T C 1.773 176.581 174.700 0.179 0.000 1.045 713 T CA 1.668 63.832 62.100 0.106 0.000 1.155 713 T CB -0.531 68.393 68.868 0.093 0.000 0.863 713 T HN 0.447 nan 8.240 nan 0.000 0.420 714 Y N 1.777 121.980 120.300 -0.162 0.000 2.139 714 Y HA -0.169 4.381 4.550 -0.001 0.000 0.282 714 Y C 2.805 178.641 175.900 -0.108 0.000 1.179 714 Y CA 0.350 58.268 58.100 -0.303 0.000 1.161 714 Y CB -1.391 36.566 38.460 -0.840 0.000 0.970 714 Y HN 0.240 nan 8.280 nan 0.000 0.511 715 A N -0.237 122.686 122.820 0.171 0.000 1.877 715 A HA -0.102 4.218 4.320 -0.001 0.000 0.216 715 A C 2.706 180.415 177.584 0.209 0.000 1.186 715 A CA 1.846 54.071 52.037 0.313 0.000 0.620 715 A CB -1.410 17.814 19.000 0.374 0.000 0.822 715 A HN 0.456 nan 8.150 nan 0.000 0.443 716 G N -1.168 107.728 108.800 0.160 0.000 2.433 716 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.216 716 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.216 716 G C 1.463 176.414 174.900 0.085 0.000 1.186 716 G CA 1.129 46.286 45.100 0.095 0.000 0.779 716 G HN 0.450 nan 8.290 nan 0.000 0.543 717 F N 0.932 120.886 119.950 0.007 0.000 2.043 717 F HA -0.153 4.374 4.527 -0.001 0.000 0.297 717 F C 2.419 178.201 175.800 -0.030 0.000 1.118 717 F CA 1.381 59.370 58.000 -0.019 0.000 1.202 717 F CB -0.358 38.614 39.000 -0.047 0.000 0.965 717 F HN 0.032 nan 8.300 nan 0.000 0.482 718 L N 0.230 121.534 121.223 0.135 0.000 2.127 718 L HA -0.191 4.149 4.340 -0.001 0.000 0.211 718 L C 2.189 179.009 176.870 -0.083 0.000 1.089 718 L CA 1.467 56.349 54.840 0.069 0.000 0.757 718 L CB -1.324 40.917 42.059 0.304 0.000 0.899 718 L HN 0.286 nan 8.230 nan 0.000 0.434 719 L N -1.070 120.052 121.223 -0.169 0.000 2.599 719 L HA 0.043 4.382 4.340 -0.001 0.000 0.230 719 L C 1.440 178.149 176.870 -0.269 0.000 1.141 719 L CA 0.220 54.848 54.840 -0.353 0.000 0.877 719 L CB -0.250 41.547 42.059 -0.438 0.000 1.009 719 L HN 0.197 nan 8.230 nan 0.000 0.447 720 A N -0.728 121.939 122.820 -0.255 0.000 2.708 720 A HA 0.152 4.472 4.320 -0.001 0.000 0.293 720 A C 0.260 177.697 177.584 -0.245 0.000 1.303 720 A CA -0.228 51.667 52.037 -0.235 0.000 0.949 720 A CB -0.216 18.650 19.000 -0.223 0.000 1.121 720 A HN 0.364 nan 8.150 nan 0.000 0.542 721 D N 0.141 120.409 120.400 -0.219 0.000 2.828 721 D HA -0.104 4.535 4.640 -0.001 0.000 0.241 721 D C -2.131 174.032 176.300 -0.229 0.000 1.142 721 D CA 0.713 54.609 54.000 -0.174 0.000 0.755 721 D CB -0.669 40.056 40.800 -0.125 0.000 1.014 721 D HN 0.417 nan 8.370 nan 0.000 0.420 722 P HA 0.193 nan 4.420 nan 0.000 0.268 722 P C -0.253 176.948 177.300 -0.166 0.000 1.208 722 P CA 0.161 63.012 63.100 -0.415 0.000 0.777 722 P CB 0.790 32.227 31.700 -0.439 0.000 0.875 723 K N 0.822 121.172 120.400 -0.082 0.000 2.548 723 K HA 0.617 4.937 4.320 -0.001 0.000 0.282 723 K C -0.876 175.778 176.600 0.089 0.000 1.006 723 K CA -0.783 55.505 56.287 0.002 0.000 0.892 723 K CB 1.899 34.399 32.500 -0.000 0.000 1.499 723 K HN 0.424 nan 8.250 nan 0.000 0.433 724 I N 0.855 121.478 120.570 0.088 0.000 2.603 724 I HA 0.373 4.543 4.170 -0.001 0.000 0.300 724 I C -1.231 175.014 176.117 0.212 0.000 1.017 724 I CA -0.513 60.883 61.300 0.160 0.000 1.098 724 I CB 1.574 39.619 38.000 0.075 0.000 1.279 724 I HN 0.524 nan 8.210 nan 0.000 0.437 725 Q N 6.061 126.037 119.800 0.292 0.000 2.312 725 Q HA 0.353 4.693 4.340 -0.001 0.000 0.263 725 Q C -1.286 175.107 176.000 0.655 0.000 0.995 725 Q CA -0.723 55.308 55.803 0.380 0.000 0.853 725 Q CB 2.376 31.285 28.738 0.284 0.000 1.300 725 Q HN 0.610 nan 8.270 nan 0.000 0.448 726 E N 2.301 122.849 120.200 0.579 0.000 2.195 726 E HA 0.529 4.879 4.350 -0.001 0.000 0.271 726 E C -2.610 174.059 176.600 0.114 0.000 0.923 726 E CA -2.330 54.346 56.400 0.459 0.000 0.790 726 E CB 1.637 31.570 29.700 0.390 0.000 1.155 726 E HN 0.177 nan 8.360 nan 0.000 0.402 727 P HA 0.045 nan 4.420 nan 0.000 0.271 727 P C -0.614 176.386 177.300 -0.501 0.000 1.218 727 P CA -0.354 62.291 63.100 -0.758 0.000 0.780 727 P CB 1.110 32.168 31.700 -1.070 0.000 0.901 728 V N 3.723 123.313 119.914 -0.540 0.000 2.686 728 V HA 0.310 4.429 4.120 -0.001 0.000 0.306 728 V C -0.021 175.763 176.094 -0.517 0.000 1.065 728 V CA -0.518 61.435 62.300 -0.580 0.000 0.894 728 V CB 1.329 32.673 31.823 -0.798 0.000 1.004 728 V HN 0.338 nan 8.190 nan 0.000 0.424 729 F N 3.917 123.744 119.950 -0.205 0.000 2.382 729 F HA 0.584 5.110 4.527 -0.001 0.000 0.331 729 F C 0.083 175.842 175.800 -0.068 0.000 1.121 729 F CA -0.708 57.212 58.000 -0.133 0.000 1.183 729 F CB 1.129 40.062 39.000 -0.111 0.000 1.207 729 F HN 0.321 nan 8.300 nan 0.000 0.555 730 L N 3.669 125.024 121.223 0.221 0.000 2.298 730 L HA 0.664 5.004 4.340 -0.001 0.000 0.284 730 L C -1.163 175.756 176.870 0.081 0.000 1.013 730 L CA -0.600 54.368 54.840 0.213 0.000 0.824 730 L CB 1.221 43.394 42.059 0.189 0.000 1.221 730 L HN 0.395 nan 8.230 nan 0.000 0.418 731 V N 5.513 125.439 119.914 0.020 0.000 2.495 731 V HA 0.605 4.725 4.120 -0.001 0.000 0.298 731 V C -0.797 175.279 176.094 -0.029 0.000 1.031 731 V CA -0.327 61.944 62.300 -0.048 0.000 0.871 731 V CB 1.820 33.560 31.823 -0.137 0.000 0.988 731 V HN 0.961 nan 8.190 nan 0.000 0.432 732 E N 6.512 126.705 120.200 -0.011 0.000 2.155 732 E HA 0.601 4.951 4.350 -0.001 0.000 0.264 732 E C -1.388 175.231 176.600 0.031 0.000 0.886 732 E CA -0.658 55.745 56.400 0.004 0.000 0.752 732 E CB 1.450 31.154 29.700 0.007 0.000 1.133 732 E HN 0.770 nan 8.360 nan 0.000 0.414 733 I N 3.389 123.981 120.570 0.037 0.000 2.465 733 I HA 0.282 4.451 4.170 -0.001 0.000 0.291 733 I C -0.237 175.930 176.117 0.083 0.000 1.014 733 I CA -0.908 60.431 61.300 0.065 0.000 1.093 733 I CB 1.903 39.931 38.000 0.045 0.000 1.267 733 I HN 0.404 nan 8.210 nan 0.000 0.431 734 Q N 5.264 125.143 119.800 0.132 0.000 2.322 734 Q HA 0.603 4.943 4.340 -0.001 0.000 0.265 734 Q C -0.997 175.121 176.000 0.195 0.000 0.985 734 Q CA -0.542 55.349 55.803 0.147 0.000 0.849 734 Q CB 2.843 31.651 28.738 0.118 0.000 1.274 734 Q HN 0.852 nan 8.270 nan 0.000 0.449 735 C N 2.461 121.859 119.300 0.165 0.000 3.285 735 C HA 0.577 5.037 4.460 -0.001 0.000 0.325 735 C C -2.981 172.099 174.990 0.150 0.000 1.304 735 C CA -1.881 57.218 59.018 0.134 0.000 1.319 735 C CB 1.767 29.533 27.740 0.044 0.000 1.640 735 C HN 0.546 nan 8.230 nan 0.000 0.477 736 P HA 0.154 nan 4.420 nan 0.000 0.267 736 P C 0.608 177.958 177.300 0.083 0.000 1.205 736 P CA 0.529 63.697 63.100 0.113 0.000 0.765 736 P CB 0.431 32.166 31.700 0.058 0.000 0.828 737 E N 3.728 124.025 120.200 0.162 0.000 2.352 737 E HA -0.352 3.998 4.350 -0.001 0.000 0.203 737 E C 0.918 177.453 176.600 -0.108 0.000 1.024 737 E CA 1.480 57.858 56.400 -0.037 0.000 0.842 737 E CB -0.376 29.438 29.700 0.190 0.000 0.753 737 E HN 0.595 nan 8.360 nan 0.000 0.508 738 Q N 0.574 120.350 119.800 -0.039 0.000 2.134 738 Q HA 0.143 4.482 4.340 -0.001 0.000 0.195 738 Q C 2.303 178.264 176.000 -0.064 0.000 0.958 738 Q CA 0.858 56.628 55.803 -0.055 0.000 0.840 738 Q CB -0.197 28.514 28.738 -0.045 0.000 0.918 738 Q HN 0.271 nan 8.270 nan 0.000 0.467 739 A N 1.197 123.982 122.820 -0.058 0.000 2.168 739 A HA 0.028 4.347 4.320 -0.001 0.000 0.215 739 A C 2.215 179.767 177.584 -0.054 0.000 1.152 739 A CA 0.553 52.548 52.037 -0.070 0.000 0.716 739 A CB -0.566 18.379 19.000 -0.092 0.000 0.794 739 A HN 0.219 nan 8.150 nan 0.000 0.465 740 V N -0.059 119.824 119.914 -0.051 0.000 2.636 740 V HA -0.270 3.850 4.120 -0.001 0.000 0.258 740 V C 2.587 178.753 176.094 0.121 0.000 1.092 740 V CA 1.876 64.169 62.300 -0.011 0.000 1.110 740 V CB -1.142 30.611 31.823 -0.117 0.000 0.685 740 V HN 0.639 nan 8.190 nan 0.000 0.481 741 G N -0.290 108.543 108.800 0.055 0.000 2.448 741 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.218 741 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.218 741 G C 1.563 176.526 174.900 0.106 0.000 1.135 741 G CA 0.697 45.856 45.100 0.098 0.000 0.784 741 G HN 0.574 nan 8.290 nan 0.000 0.543 742 G N 1.252 110.062 108.800 0.016 0.000 2.418 742 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.217 742 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.217 742 G C 1.720 176.600 174.900 -0.032 0.000 1.158 742 G CA 0.801 45.883 45.100 -0.030 0.000 0.771 742 G HN 0.406 nan 8.290 nan 0.000 0.545 743 I N -0.250 120.290 120.570 -0.049 0.000 2.087 743 I HA -0.310 3.860 4.170 -0.001 0.000 0.240 743 I C 2.524 178.573 176.117 -0.113 0.000 1.054 743 I CA 1.572 62.800 61.300 -0.121 0.000 1.311 743 I CB -0.365 37.507 38.000 -0.214 0.000 1.024 743 I HN 0.186 nan 8.210 nan 0.000 0.402 744 Y N 0.688 120.980 120.300 -0.014 0.000 2.128 744 Y HA -0.307 4.243 4.550 -0.000 0.000 0.284 744 Y C 2.996 178.901 175.900 0.008 0.000 1.154 744 Y CA 1.746 59.847 58.100 0.002 0.000 1.149 744 Y CB -0.983 37.466 38.460 -0.017 0.000 0.976 744 Y HN 0.306 nan 8.280 nan 0.000 0.505 745 S N -0.461 115.326 115.700 0.144 0.000 2.370 745 S HA -0.191 4.278 4.470 -0.001 0.000 0.226 745 S C 2.020 176.652 174.600 0.052 0.000 1.033 745 S CA 1.647 59.892 58.200 0.076 0.000 1.011 745 S CB -1.241 61.979 63.200 0.034 0.000 0.852 745 S HN 0.197 nan 8.310 nan 0.000 0.457 746 V N 2.397 122.324 119.914 0.021 0.000 2.270 746 V HA -0.086 4.033 4.120 -0.001 0.000 0.245 746 V C 2.642 178.804 176.094 0.114 0.000 1.043 746 V CA 1.792 64.103 62.300 0.017 0.000 1.014 746 V CB -0.997 30.762 31.823 -0.107 0.000 0.645 746 V HN 0.450 nan 8.190 nan 0.000 0.447 747 L N 0.521 121.829 121.223 0.140 0.000 2.081 747 L HA -0.212 4.128 4.340 -0.001 0.000 0.212 747 L C 2.509 179.452 176.870 0.121 0.000 1.080 747 L CA 1.488 56.422 54.840 0.158 0.000 0.754 747 L CB -0.771 41.338 42.059 0.083 0.000 0.893 747 L HN 0.448 nan 8.230 nan 0.000 0.433 748 N N 0.599 119.364 118.700 0.109 0.000 2.166 748 N HA -0.163 4.576 4.740 -0.001 0.000 0.186 748 N C 1.515 177.077 175.510 0.087 0.000 1.019 748 N CA 1.204 54.313 53.050 0.097 0.000 0.856 748 N CB -0.135 38.406 38.487 0.091 0.000 0.993 748 N HN 0.449 nan 8.380 nan 0.000 0.426 749 K N 0.724 121.176 120.400 0.087 0.000 2.525 749 K HA 0.048 4.368 4.320 -0.001 0.000 0.192 749 K C 0.502 177.161 176.600 0.099 0.000 1.029 749 K CA 0.654 56.990 56.287 0.081 0.000 1.029 749 K CB 0.224 32.767 32.500 0.070 0.000 0.814 749 K HN 0.125 nan 8.250 nan 0.000 0.503 750 K N 0.358 120.828 120.400 0.116 0.000 2.826 750 K HA 0.248 4.568 4.320 -0.001 0.000 0.206 750 K C -0.608 176.054 176.600 0.103 0.000 1.116 750 K CA -0.266 56.095 56.287 0.123 0.000 1.045 750 K CB 0.832 33.436 32.500 0.174 0.000 0.758 750 K HN -0.012 nan 8.250 nan 0.000 0.465 751 R N -0.103 120.453 120.500 0.093 0.000 3.741 751 R HA -0.163 4.177 4.340 -0.001 0.000 0.292 751 R C 0.489 176.844 176.300 0.092 0.000 1.176 751 R CA 0.603 56.756 56.100 0.088 0.000 0.794 751 R CB -2.048 28.303 30.300 0.085 0.000 1.213 751 R HN 0.478 nan 8.270 nan 0.000 0.494 752 G N 0.553 109.407 108.800 0.091 0.000 2.606 752 G HA2 0.236 4.196 3.960 -0.001 0.000 0.252 752 G HA3 0.236 4.196 3.960 -0.001 0.000 0.252 752 G C -0.419 174.534 174.900 0.089 0.000 1.206 752 G CA -0.268 44.880 45.100 0.081 0.000 0.861 752 G HN 0.197 nan 8.290 nan 0.000 0.561 753 Q N 0.119 119.971 119.800 0.086 0.000 2.269 753 Q HA 0.408 4.747 4.340 -0.001 0.000 0.263 753 Q C -1.108 174.884 176.000 -0.013 0.000 0.983 753 Q CA -0.674 55.175 55.803 0.076 0.000 0.777 753 Q CB 2.017 30.845 28.738 0.150 0.000 1.273 753 Q HN 0.375 nan 8.270 nan 0.000 0.440 754 V N 4.685 124.594 119.914 -0.008 0.000 2.521 754 V HA 0.021 4.140 4.120 -0.001 0.000 0.286 754 V C 0.893 176.936 176.094 -0.086 0.000 1.034 754 V CA 0.174 62.441 62.300 -0.056 0.000 1.045 754 V CB 1.152 33.000 31.823 0.042 0.000 0.974 754 V HN 0.823 nan 8.190 nan 0.000 0.480 755 V N 3.397 123.204 119.914 -0.178 0.000 2.949 755 V HA 0.146 4.265 4.120 -0.001 0.000 0.245 755 V C 0.719 176.760 176.094 -0.089 0.000 1.086 755 V CA 1.334 63.511 62.300 -0.205 0.000 1.097 755 V CB 0.700 32.279 31.823 -0.408 0.000 0.762 755 V HN 1.021 nan 8.190 nan 0.000 0.470 756 S N -0.736 114.931 115.700 -0.055 0.000 2.565 756 S HA 0.477 4.947 4.470 -0.001 0.000 0.274 756 S C -1.259 173.368 174.600 0.045 0.000 1.144 756 S CA -0.742 57.460 58.200 0.004 0.000 0.849 756 S CB 2.253 65.449 63.200 -0.006 0.000 1.103 756 S HN 0.273 nan 8.310 nan 0.000 0.455 757 E N 0.860 121.120 120.200 0.100 0.000 2.279 757 E HA 0.387 4.736 4.350 -0.001 0.000 0.252 757 E C -1.388 175.331 176.600 0.199 0.000 0.894 757 E CA -0.421 56.085 56.400 0.177 0.000 0.785 757 E CB 0.880 30.715 29.700 0.225 0.000 1.237 757 E HN 0.575 nan 8.360 nan 0.000 0.418 758 E N 2.864 123.167 120.200 0.171 0.000 2.187 758 E HA 0.161 4.511 4.350 -0.001 0.000 0.268 758 E C -0.661 175.922 176.600 -0.029 0.000 0.896 758 E CA -0.665 55.785 56.400 0.083 0.000 0.766 758 E CB 1.981 31.697 29.700 0.025 0.000 1.142 758 E HN 0.566 nan 8.360 nan 0.000 0.408 759 Q N 1.941 121.623 119.800 -0.197 0.000 2.312 759 Q HA 0.307 4.646 4.340 -0.001 0.000 0.236 759 Q C -0.589 175.185 176.000 -0.377 0.000 0.965 759 Q CA -0.541 54.880 55.803 -0.636 0.000 0.894 759 Q CB 0.900 29.273 28.738 -0.608 0.000 1.225 759 Q HN 0.171 nan 8.270 nan 0.000 0.478 760 R N 3.777 124.010 120.500 -0.444 0.000 2.310 760 R HA 0.356 4.696 4.340 -0.001 0.000 0.324 760 R C -2.103 174.073 176.300 -0.207 0.000 0.955 760 R CA -2.197 53.758 56.100 -0.242 0.000 0.830 760 R CB 0.739 30.919 30.300 -0.201 0.000 1.154 760 R HN 0.564 nan 8.270 nan 0.000 0.458 761 P HA -0.190 nan 4.420 nan 0.000 0.219 761 P C 0.537 177.793 177.300 -0.074 0.000 1.153 761 P CA 1.877 64.922 63.100 -0.092 0.000 0.865 761 P CB 0.217 31.880 31.700 -0.062 0.000 0.788 762 G N -2.403 106.355 108.800 -0.071 0.000 3.434 762 G HA2 0.102 4.061 3.960 -0.001 0.000 0.258 762 G HA3 0.102 4.061 3.960 -0.001 0.000 0.258 762 G C 0.043 174.921 174.900 -0.037 0.000 1.128 762 G CA 0.137 45.210 45.100 -0.044 0.000 0.792 762 G HN 0.100 nan 8.290 nan 0.000 0.539 763 T N 1.225 115.739 114.554 -0.066 0.000 3.760 763 T HA -0.154 4.195 4.350 -0.001 0.000 0.366 763 T C -0.883 173.824 174.700 0.013 0.000 0.761 763 T CA 1.058 63.142 62.100 -0.027 0.000 1.887 763 T CB -0.704 68.188 68.868 0.040 0.000 1.811 763 T HN 0.498 nan 8.240 nan 0.000 0.749 764 P HA 0.435 nan 4.420 nan 0.000 0.239 764 P C 0.273 177.592 177.300 0.033 0.000 1.188 764 P CA 0.350 63.453 63.100 0.006 0.000 0.794 764 P CB 0.532 32.221 31.700 -0.020 0.000 0.937 765 L N -2.086 119.159 121.223 0.037 0.000 5.396 765 L HA 0.098 4.437 4.340 -0.001 0.000 0.241 765 L C -0.498 176.440 176.870 0.114 0.000 1.175 765 L CA -0.750 54.157 54.840 0.111 0.000 1.003 765 L CB -0.803 41.316 42.059 0.101 0.000 1.664 765 L HN -0.192 nan 8.230 nan 0.000 0.436 766 F N 1.326 121.294 119.950 0.030 0.000 2.640 766 F HA 0.234 4.761 4.527 -0.000 0.000 0.329 766 F C 1.345 177.162 175.800 0.028 0.000 1.224 766 F CA 1.470 59.488 58.000 0.030 0.000 1.373 766 F CB 0.708 39.733 39.000 0.042 0.000 1.129 766 F HN 0.479 nan 8.300 nan 0.000 0.610 767 T N -0.466 114.226 114.554 0.231 0.000 2.965 767 T HA 0.611 4.960 4.350 -0.001 0.000 0.306 767 T C -1.028 173.739 174.700 0.112 0.000 0.991 767 T CA -0.865 61.312 62.100 0.129 0.000 1.001 767 T CB 0.549 69.455 68.868 0.063 0.000 0.984 767 T HN 0.332 nan 8.240 nan 0.000 0.446 768 V N 4.143 124.099 119.914 0.069 0.000 2.539 768 V HA 0.565 4.685 4.120 -0.001 0.000 0.292 768 V C 0.059 176.136 176.094 -0.029 0.000 1.045 768 V CA -0.679 61.625 62.300 0.006 0.000 0.945 768 V CB 1.641 33.412 31.823 -0.087 0.000 0.993 768 V HN 0.849 nan 8.190 nan 0.000 0.464 769 K N 3.137 123.503 120.400 -0.057 0.000 2.397 769 K HA 0.864 5.183 4.320 -0.001 0.000 0.253 769 K C -0.748 175.755 176.600 -0.162 0.000 0.932 769 K CA -0.423 55.811 56.287 -0.089 0.000 0.795 769 K CB 2.349 34.800 32.500 -0.081 0.000 1.159 769 K HN 0.831 nan 8.250 nan 0.000 0.424 770 A N 2.029 124.744 122.820 -0.175 0.000 2.610 770 A HA 0.589 4.908 4.320 -0.001 0.000 0.291 770 A C -1.985 175.512 177.584 -0.146 0.000 1.086 770 A CA -0.768 51.130 52.037 -0.232 0.000 0.677 770 A CB 0.732 19.647 19.000 -0.143 0.000 1.278 770 A HN 0.503 nan 8.150 nan 0.000 0.414 771 Y N -0.111 120.192 120.300 0.006 0.000 2.308 771 Y HA 0.599 5.149 4.550 -0.001 0.000 0.329 771 Y C -0.079 175.805 175.900 -0.028 0.000 1.111 771 Y CA -0.951 57.153 58.100 0.007 0.000 1.179 771 Y CB 1.563 40.071 38.460 0.081 0.000 1.201 771 Y HN 0.543 nan 8.280 nan 0.000 0.483 772 L N 6.569 127.864 121.223 0.121 0.000 2.406 772 L HA 0.645 4.985 4.340 -0.001 0.000 0.270 772 L C -2.956 173.931 176.870 0.029 0.000 0.982 772 L CA -2.626 52.224 54.840 0.017 0.000 0.843 772 L CB 1.735 43.690 42.059 -0.173 0.000 1.225 772 L HN 0.270 nan 8.230 nan 0.000 0.412 773 P HA -0.014 nan 4.420 nan 0.000 0.263 773 P C 0.946 178.220 177.300 -0.043 0.000 1.175 773 P CA 0.080 63.162 63.100 -0.031 0.000 0.761 773 P CB 0.686 32.406 31.700 0.034 0.000 0.794 774 V N 2.821 122.606 119.914 -0.216 0.000 2.407 774 V HA -0.239 3.881 4.120 -0.001 0.000 0.248 774 V C 1.897 177.979 176.094 -0.020 0.000 1.055 774 V CA 2.332 64.471 62.300 -0.269 0.000 1.049 774 V CB -1.239 30.196 31.823 -0.647 0.000 0.662 774 V HN 0.667 nan 8.190 nan 0.000 0.455 775 N N 0.117 118.817 118.700 -0.001 0.000 2.571 775 N HA -0.128 4.612 4.740 -0.001 0.000 0.189 775 N C 1.100 176.686 175.510 0.126 0.000 1.154 775 N CA 0.749 53.854 53.050 0.093 0.000 0.907 775 N CB -0.239 38.352 38.487 0.174 0.000 0.977 775 N HN 0.418 nan 8.380 nan 0.000 0.449 776 E N -0.486 119.785 120.200 0.118 0.000 2.548 776 E HA 0.103 4.453 4.350 -0.001 0.000 0.206 776 E C 0.569 177.270 176.600 0.169 0.000 1.005 776 E CA 0.102 56.584 56.400 0.136 0.000 0.951 776 E CB 0.426 30.190 29.700 0.107 0.000 1.035 776 E HN 0.554 nan 8.360 nan 0.000 0.470 777 S N -0.740 115.082 115.700 0.203 0.000 2.502 777 S HA 0.119 4.589 4.470 -0.001 0.000 0.215 777 S C 0.653 175.418 174.600 0.275 0.000 1.009 777 S CA -0.530 57.804 58.200 0.225 0.000 0.908 777 S CB -0.271 63.089 63.200 0.266 0.000 0.801 777 S HN 0.099 nan 8.310 nan 0.000 0.505 778 F N 3.822 123.855 119.950 0.139 0.000 2.602 778 F HA 0.425 4.952 4.527 -0.001 0.000 0.385 778 F C 1.565 177.435 175.800 0.116 0.000 1.063 778 F CA 1.054 59.122 58.000 0.112 0.000 1.233 778 F CB -0.037 39.011 39.000 0.081 0.000 1.067 778 F HN 0.428 nan 8.300 nan 0.000 0.564 779 G N 5.168 113.659 108.800 -0.515 0.000 2.184 779 G HA2 -0.425 3.534 3.960 -0.001 0.000 0.264 779 G HA3 -0.425 3.534 3.960 -0.001 0.000 0.264 779 G C 0.911 175.758 174.900 -0.087 0.000 0.975 779 G CA 0.523 45.429 45.100 -0.322 0.000 0.642 779 G HN 0.793 nan 8.290 nan 0.000 0.536 780 F N 1.617 121.497 119.950 -0.118 0.000 2.046 780 F HA -0.055 4.472 4.527 -0.001 0.000 0.297 780 F C 2.688 178.427 175.800 -0.102 0.000 1.123 780 F CA 2.948 60.904 58.000 -0.074 0.000 1.199 780 F CB -0.643 38.334 39.000 -0.038 0.000 0.972 780 F HN 0.190 nan 8.300 nan 0.000 0.474 781 T N -0.483 114.085 114.554 0.023 0.000 2.778 781 T HA -0.147 4.203 4.350 -0.001 0.000 0.269 781 T C 2.054 176.607 174.700 -0.246 0.000 1.050 781 T CA 1.758 63.784 62.100 -0.123 0.000 1.137 781 T CB -1.135 67.730 68.868 -0.004 0.000 0.860 781 T HN 0.465 nan 8.240 nan 0.000 0.468 782 G N 0.300 108.974 108.800 -0.210 0.000 2.394 782 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.214 782 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.214 782 G C 1.517 176.287 174.900 -0.216 0.000 1.176 782 G CA 0.609 45.599 45.100 -0.185 0.000 0.786 782 G HN 0.592 nan 8.290 nan 0.000 0.533 783 E N -0.240 119.810 120.200 -0.250 0.000 2.204 783 E HA -0.095 4.255 4.350 -0.001 0.000 0.195 783 E C 2.350 178.743 176.600 -0.346 0.000 0.990 783 E CA 0.498 56.749 56.400 -0.248 0.000 0.821 783 E CB -0.101 29.470 29.700 -0.215 0.000 0.750 783 E HN 0.340 nan 8.360 nan 0.000 0.477 784 L N 1.786 122.689 121.223 -0.535 0.000 1.994 784 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 784 L C 2.482 179.127 176.870 -0.376 0.000 1.071 784 L CA 1.955 56.468 54.840 -0.546 0.000 0.745 784 L CB -0.388 41.244 42.059 -0.712 0.000 0.892 784 L HN -0.030 nan 8.230 nan 0.000 0.431 785 R N -0.970 119.321 120.500 -0.348 0.000 2.105 785 R HA -0.232 4.108 4.340 -0.001 0.000 0.239 785 R C 2.178 178.251 176.300 -0.378 0.000 1.135 785 R CA 1.749 57.631 56.100 -0.363 0.000 0.967 785 R CB -0.750 29.378 30.300 -0.287 0.000 0.861 785 R HN 0.396 nan 8.270 nan 0.000 0.442 786 Q N 0.865 120.523 119.800 -0.238 0.000 2.084 786 Q HA 0.041 4.380 4.340 -0.001 0.000 0.202 786 Q C 1.734 177.630 176.000 -0.173 0.000 0.978 786 Q CA 2.059 57.775 55.803 -0.144 0.000 0.844 786 Q CB -0.166 28.524 28.738 -0.080 0.000 0.898 786 Q HN 0.551 nan 8.270 nan 0.000 0.426 787 A N -0.701 122.004 122.820 -0.192 0.000 2.327 787 A HA 0.129 4.449 4.320 -0.001 0.000 0.228 787 A C 0.787 178.259 177.584 -0.187 0.000 1.275 787 A CA 0.940 52.883 52.037 -0.158 0.000 0.875 787 A CB -0.271 18.647 19.000 -0.137 0.000 0.925 787 A HN 0.379 nan 8.150 nan 0.000 0.493 788 T N -6.135 108.255 114.554 -0.274 0.000 3.594 788 T HA 0.387 4.736 4.350 -0.001 0.000 0.315 788 T C 0.976 175.422 174.700 -0.424 0.000 0.912 788 T CA 0.746 62.674 62.100 -0.286 0.000 0.985 788 T CB -0.557 68.150 68.868 -0.268 0.000 1.201 788 T HN 1.594 nan 8.240 nan 0.000 0.569 789 G N 1.244 109.683 108.800 -0.602 0.000 2.379 789 G HA2 0.136 4.095 3.960 -0.001 0.000 0.297 789 G HA3 0.136 4.095 3.960 -0.001 0.000 0.297 789 G C 1.282 175.432 174.900 -1.250 0.000 1.004 789 G CA 0.511 44.978 45.100 -1.054 0.000 0.921 789 G HN 1.995 nan 8.290 nan 0.000 0.511 790 G N -1.543 106.606 108.800 -1.085 0.000 2.225 790 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.267 790 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.267 790 G C 0.908 175.468 174.900 -0.566 0.000 1.024 790 G CA 1.349 46.019 45.100 -0.716 0.000 0.784 790 G HN 0.857 nan 8.290 nan 0.000 0.507 791 Q N -0.670 118.843 119.800 -0.477 0.000 2.297 791 Q HA 0.430 4.770 4.340 -0.001 0.000 0.203 791 Q C 1.829 177.611 176.000 -0.365 0.000 0.931 791 Q CA 0.666 56.273 55.803 -0.326 0.000 0.885 791 Q CB 0.306 28.932 28.738 -0.187 0.000 0.991 791 Q HN 0.814 nan 8.270 nan 0.000 0.498 792 A N 0.652 123.240 122.820 -0.386 0.000 2.388 792 A HA 0.393 4.713 4.320 -0.001 0.000 0.257 792 A C -0.896 176.417 177.584 -0.452 0.000 1.095 792 A CA -0.002 51.873 52.037 -0.271 0.000 0.791 792 A CB 0.099 18.975 19.000 -0.207 0.000 1.029 792 A HN 0.194 nan 8.150 nan 0.000 0.489 793 F N 3.820 123.749 119.950 -0.035 0.000 2.532 793 F HA 0.380 4.907 4.527 -0.000 0.000 0.365 793 F C -1.980 173.814 175.800 -0.009 0.000 1.112 793 F CA -1.775 56.211 58.000 -0.022 0.000 1.082 793 F CB 2.115 41.112 39.000 -0.005 0.000 1.319 793 F HN 0.412 nan 8.300 nan 0.000 0.457 794 P HA 0.433 nan 4.420 nan 0.000 0.284 794 P C -1.754 175.593 177.300 0.078 0.000 1.287 794 P CA -0.606 62.554 63.100 0.101 0.000 0.824 794 P CB 2.186 33.959 31.700 0.121 0.000 1.180 795 Q N -0.021 119.798 119.800 0.033 0.000 2.503 795 Q HA 0.651 4.991 4.340 -0.001 0.000 0.268 795 Q C -1.084 174.881 176.000 -0.059 0.000 0.982 795 Q CA -0.904 54.896 55.803 -0.005 0.000 0.907 795 Q CB 1.653 30.399 28.738 0.012 0.000 1.467 795 Q HN 0.331 nan 8.270 nan 0.000 0.394 796 M N 0.735 120.259 119.600 -0.127 0.000 2.575 796 M HA 0.875 5.355 4.480 -0.001 0.000 0.284 796 M C -1.719 174.492 176.300 -0.149 0.000 1.253 796 M CA -1.246 53.934 55.300 -0.201 0.000 0.861 796 M CB 1.744 34.063 32.600 -0.467 0.000 1.733 796 M HN 0.662 nan 8.290 nan 0.000 0.462 797 V N 1.787 121.697 119.914 -0.007 0.000 3.012 797 V HA 0.605 4.725 4.120 -0.001 0.000 0.307 797 V C -1.535 174.774 176.094 0.359 0.000 1.166 797 V CA -0.672 61.716 62.300 0.146 0.000 0.974 797 V CB 2.592 34.456 31.823 0.069 0.000 1.040 797 V HN 0.804 nan 8.190 nan 0.000 0.428 798 F N 4.967 125.038 119.950 0.202 0.000 2.578 798 F HA 0.274 4.801 4.527 -0.001 0.000 0.376 798 F C 0.964 176.725 175.800 -0.066 0.000 1.085 798 F CA 0.848 58.841 58.000 -0.012 0.000 1.260 798 F CB 0.819 39.727 39.000 -0.154 0.000 1.095 798 F HN 0.768 nan 8.300 nan 0.000 0.573 799 D N 2.245 122.069 120.400 -0.960 0.000 2.602 799 D HA 0.030 4.669 4.640 -0.001 0.000 0.284 799 D C -0.600 175.166 176.300 -0.890 0.000 1.065 799 D CA 0.719 54.285 54.000 -0.724 0.000 0.923 799 D CB 0.332 40.979 40.800 -0.256 0.000 1.373 799 D HN 0.763 nan 8.370 nan 0.000 0.492 800 H N -3.347 115.046 119.070 -1.129 0.000 2.935 800 H HA 0.417 4.973 4.556 -0.001 0.000 0.297 800 H C -1.952 173.119 175.328 -0.429 0.000 1.423 800 H CA -1.112 54.523 56.048 -0.689 0.000 1.161 800 H CB -0.214 29.302 29.762 -0.409 0.000 1.841 800 H HN -0.127 nan 8.280 nan 0.000 0.506 801 W N 0.794 122.183 121.300 0.148 0.000 2.375 801 W HA 0.623 5.283 4.660 -0.001 0.000 0.336 801 W C 0.070 176.727 176.519 0.230 0.000 1.160 801 W CA -0.457 56.991 57.345 0.171 0.000 1.266 801 W CB 2.017 31.575 29.460 0.163 0.000 1.195 801 W HN 0.648 nan 8.180 nan 0.000 0.599 802 S N 1.413 117.366 115.700 0.422 0.000 2.677 802 S HA 0.385 4.855 4.470 -0.001 0.000 0.283 802 S C -0.626 174.124 174.600 0.249 0.000 1.159 802 S CA -0.677 57.699 58.200 0.294 0.000 1.001 802 S CB 0.559 63.904 63.200 0.243 0.000 1.032 802 S HN 0.308 nan 8.310 nan 0.000 0.487 803 T N 5.609 120.277 114.554 0.190 0.000 2.916 803 T HA 0.267 4.617 4.350 -0.001 0.000 0.303 803 T C 0.039 174.814 174.700 0.124 0.000 1.025 803 T CA -0.027 62.164 62.100 0.152 0.000 1.142 803 T CB 0.054 68.985 68.868 0.105 0.000 0.947 803 T HN 0.569 nan 8.240 nan 0.000 0.544 804 L N 3.231 124.523 121.223 0.116 0.000 2.265 804 L HA 0.325 4.665 4.340 -0.001 0.000 0.288 804 L C 1.767 178.666 176.870 0.048 0.000 1.058 804 L CA -0.503 54.387 54.840 0.083 0.000 0.809 804 L CB 1.006 43.110 42.059 0.075 0.000 1.179 804 L HN 0.912 nan 8.230 nan 0.000 0.429 805 G N 2.372 111.196 108.800 0.040 0.000 2.432 805 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.219 805 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.219 805 G C 0.825 175.729 174.900 0.006 0.000 1.135 805 G CA -0.006 45.106 45.100 0.021 0.000 0.767 805 G HN 0.628 nan 8.290 nan 0.000 0.550 806 S N 0.416 116.119 115.700 0.004 0.000 2.553 806 S HA 0.114 4.583 4.470 -0.001 0.000 0.271 806 S C -0.109 174.476 174.600 -0.025 0.000 1.362 806 S CA -0.215 57.978 58.200 -0.011 0.000 1.010 806 S CB 0.939 64.129 63.200 -0.016 0.000 0.865 806 S HN 0.313 nan 8.310 nan 0.000 0.543 807 D N 0.963 121.344 120.400 -0.032 0.000 2.316 807 D HA 0.312 4.952 4.640 -0.001 0.000 0.245 807 D C -1.797 174.467 176.300 -0.061 0.000 1.171 807 D CA -2.453 51.523 54.000 -0.040 0.000 0.856 807 D CB 1.187 41.968 40.800 -0.031 0.000 1.090 807 D HN 0.031 nan 8.370 nan 0.000 0.476 808 P HA -0.064 nan 4.420 nan 0.000 0.219 808 P C 0.938 178.167 177.300 -0.119 0.000 1.146 808 P CA 0.717 63.742 63.100 -0.126 0.000 0.808 808 P CB 0.283 31.916 31.700 -0.111 0.000 0.779 809 L N -1.609 119.574 121.223 -0.067 0.000 2.592 809 L HA 0.128 4.468 4.340 -0.001 0.000 0.227 809 L C 0.605 177.450 176.870 -0.042 0.000 1.127 809 L CA 0.582 55.395 54.840 -0.045 0.000 0.884 809 L CB -0.489 41.566 42.059 -0.007 0.000 1.065 809 L HN -0.116 nan 8.230 nan 0.000 0.457 810 D N -0.413 119.958 120.400 -0.048 0.000 2.477 810 D HA 0.229 4.869 4.640 -0.001 0.000 0.239 810 D C -1.776 174.496 176.300 -0.048 0.000 1.102 810 D CA -2.317 51.660 54.000 -0.039 0.000 0.901 810 D CB 1.306 42.089 40.800 -0.029 0.000 1.026 810 D HN -0.183 nan 8.370 nan 0.000 0.515 811 P HA -0.255 nan 4.420 nan 0.000 0.220 811 P C 1.220 178.494 177.300 -0.043 0.000 1.146 811 P CA 1.705 64.774 63.100 -0.052 0.000 0.816 811 P CB 0.089 31.765 31.700 -0.040 0.000 0.764 812 T N -4.728 109.805 114.554 -0.034 0.000 2.978 812 T HA 0.003 4.353 4.350 -0.001 0.000 0.262 812 T C 1.035 175.719 174.700 -0.026 0.000 1.063 812 T CA 0.430 62.514 62.100 -0.026 0.000 1.140 812 T CB -0.844 68.013 68.868 -0.019 0.000 0.886 812 T HN 0.185 nan 8.240 nan 0.000 0.470 813 S N 1.325 117.005 115.700 -0.033 0.000 2.589 813 S HA 0.305 4.775 4.470 -0.001 0.000 0.265 813 S C 1.148 175.725 174.600 -0.039 0.000 1.342 813 S CA -0.960 57.221 58.200 -0.031 0.000 1.005 813 S CB 0.855 64.034 63.200 -0.034 0.000 0.909 813 S HN 0.159 nan 8.310 nan 0.000 0.555 814 K N 1.331 121.714 120.400 -0.027 0.000 2.044 814 K HA -0.143 4.177 4.320 -0.001 0.000 0.210 814 K C 2.430 178.990 176.600 -0.067 0.000 1.049 814 K CA 1.784 58.054 56.287 -0.027 0.000 0.927 814 K CB -1.493 31.006 32.500 -0.001 0.000 0.713 814 K HN 0.788 nan 8.250 nan 0.000 0.443 815 A N 1.019 123.790 122.820 -0.081 0.000 1.877 815 A HA -0.074 4.246 4.320 -0.001 0.000 0.216 815 A C 2.562 180.026 177.584 -0.200 0.000 1.186 815 A CA 2.163 54.112 52.037 -0.146 0.000 0.620 815 A CB -1.221 17.712 19.000 -0.112 0.000 0.822 815 A HN 0.396 nan 8.150 nan 0.000 0.443 816 G N -0.482 108.231 108.800 -0.144 0.000 2.442 816 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.219 816 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.219 816 G C 1.403 176.219 174.900 -0.141 0.000 1.141 816 G CA 1.093 46.105 45.100 -0.146 0.000 0.763 816 G HN 0.673 nan 8.290 nan 0.000 0.554 817 E N -0.024 120.111 120.200 -0.107 0.000 2.058 817 E HA -0.120 4.230 4.350 -0.001 0.000 0.194 817 E C 2.557 179.094 176.600 -0.106 0.000 0.997 817 E CA 0.827 57.178 56.400 -0.082 0.000 0.801 817 E CB -0.107 29.562 29.700 -0.051 0.000 0.746 817 E HN 0.311 nan 8.360 nan 0.000 0.450 818 I N 0.875 121.351 120.570 -0.158 0.000 2.127 818 I HA -0.234 3.936 4.170 -0.001 0.000 0.241 818 I C 2.488 178.462 176.117 -0.238 0.000 1.075 818 I CA 1.145 62.322 61.300 -0.205 0.000 1.334 818 I CB -1.203 36.558 38.000 -0.399 0.000 1.040 818 I HN 0.029 nan 8.210 nan 0.000 0.405 819 V N 0.841 120.497 119.914 -0.431 0.000 2.295 819 V HA -0.267 3.853 4.120 -0.001 0.000 0.246 819 V C 2.542 178.519 176.094 -0.194 0.000 1.049 819 V CA 1.434 63.375 62.300 -0.599 0.000 1.024 819 V CB -0.810 30.589 31.823 -0.706 0.000 0.648 819 V HN 0.300 nan 8.190 nan 0.000 0.447 820 L N 1.177 122.316 121.223 -0.140 0.000 1.944 820 L HA -0.196 4.144 4.340 -0.001 0.000 0.218 820 L C 2.557 179.419 176.870 -0.013 0.000 1.075 820 L CA 2.653 57.458 54.840 -0.058 0.000 0.767 820 L CB -1.296 40.730 42.059 -0.056 0.000 0.890 820 L HN 0.242 nan 8.230 nan 0.000 0.434 821 A N -0.631 122.178 122.820 -0.019 0.000 1.940 821 A HA -0.285 4.035 4.320 -0.001 0.000 0.221 821 A C 2.424 180.023 177.584 0.024 0.000 1.190 821 A CA 2.852 54.889 52.037 -0.001 0.000 0.647 821 A CB -1.431 17.568 19.000 -0.002 0.000 0.821 821 A HN 0.720 nan 8.150 nan 0.000 0.457 822 A N -0.491 122.385 122.820 0.094 0.000 1.858 822 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 822 A C 2.235 179.938 177.584 0.199 0.000 1.190 822 A CA 1.562 53.712 52.037 0.188 0.000 0.617 822 A CB -0.528 18.809 19.000 0.562 0.000 0.827 822 A HN 0.579 nan 8.150 nan 0.000 0.443 823 R N -0.378 120.269 120.500 0.246 0.000 2.094 823 R HA -0.179 4.160 4.340 -0.001 0.000 0.239 823 R C 2.356 178.738 176.300 0.136 0.000 1.137 823 R CA 1.851 58.086 56.100 0.225 0.000 0.943 823 R CB -0.405 29.981 30.300 0.143 0.000 0.850 823 R HN 0.513 nan 8.270 nan 0.000 0.433 824 K N 0.524 120.963 120.400 0.066 0.000 2.015 824 K HA -0.237 4.083 4.320 -0.001 0.000 0.216 824 K C 2.229 178.830 176.600 0.003 0.000 1.052 824 K CA 1.807 58.112 56.287 0.029 0.000 0.937 824 K CB -0.184 32.320 32.500 0.007 0.000 0.719 824 K HN 0.046 nan 8.250 nan 0.000 0.446 825 R N -0.176 120.289 120.500 -0.059 0.000 2.119 825 R HA -0.196 4.144 4.340 -0.001 0.000 0.246 825 R C 2.021 178.239 176.300 -0.138 0.000 1.146 825 R CA 1.827 57.841 56.100 -0.144 0.000 0.962 825 R CB -0.179 29.959 30.300 -0.270 0.000 0.863 825 R HN 0.419 nan 8.270 nan 0.000 0.442 826 H N -1.352 117.744 119.070 0.042 0.000 2.547 826 H HA 0.102 4.658 4.556 -0.001 0.000 0.272 826 H C 1.014 176.361 175.328 0.032 0.000 0.989 826 H CA 1.083 57.153 56.048 0.036 0.000 1.214 826 H CB 0.361 30.151 29.762 0.046 0.000 1.389 826 H HN 0.541 nan 8.280 nan 0.000 0.577 827 G N 1.004 109.881 108.800 0.129 0.000 2.212 827 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.255 827 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.255 827 G C 0.123 175.077 174.900 0.089 0.000 1.062 827 G CA 0.385 45.537 45.100 0.086 0.000 0.815 827 G HN 0.238 nan 8.290 nan 0.000 0.497 828 M N -1.127 118.537 119.600 0.106 0.000 2.753 828 M HA 0.586 5.066 4.480 -0.001 0.000 0.299 828 M C 0.640 176.981 176.300 0.067 0.000 1.219 828 M CA -1.115 54.239 55.300 0.091 0.000 0.900 828 M CB 1.150 33.821 32.600 0.118 0.000 1.628 828 M HN 0.064 nan 8.290 nan 0.000 0.502 829 K N 0.900 121.332 120.400 0.054 0.000 2.414 829 K HA -0.006 4.314 4.320 -0.001 0.000 0.272 829 K C 0.442 177.065 176.600 0.038 0.000 0.993 829 K CA 0.692 57.000 56.287 0.036 0.000 0.964 829 K CB 0.526 33.041 32.500 0.024 0.000 0.925 829 K HN 0.591 nan 8.250 nan 0.000 0.487 830 E N 1.268 121.482 120.200 0.023 0.000 2.208 830 E HA -0.141 4.209 4.350 -0.001 0.000 0.193 830 E C -0.205 176.399 176.600 0.007 0.000 0.988 830 E CA 0.632 57.042 56.400 0.017 0.000 0.828 830 E CB 0.089 29.793 29.700 0.006 0.000 0.763 830 E HN 0.550 nan 8.360 nan 0.000 0.478 831 E N 0.817 121.020 120.200 0.004 0.000 2.331 831 E HA 0.095 4.445 4.350 -0.001 0.000 0.272 831 E C -1.131 175.474 176.600 0.008 0.000 1.036 831 E CA -0.262 56.136 56.400 -0.004 0.000 0.864 831 E CB 1.126 30.819 29.700 -0.013 0.000 1.035 831 E HN -0.237 nan 8.360 nan 0.000 0.408 832 V N 7.080 126.997 119.914 0.006 0.000 2.364 832 V HA 0.267 4.386 4.120 -0.001 0.000 0.272 832 V C -2.029 174.091 176.094 0.044 0.000 1.036 832 V CA -1.793 60.525 62.300 0.030 0.000 0.880 832 V CB 0.864 32.699 31.823 0.019 0.000 0.991 832 V HN 0.795 nan 8.190 nan 0.000 0.460 833 P HA 0.072 nan 4.420 nan 0.000 0.255 833 P C 0.640 178.015 177.300 0.126 0.000 1.173 833 P CA 0.551 63.671 63.100 0.033 0.000 0.780 833 P CB 0.264 31.976 31.700 0.020 0.000 0.758 834 G N 3.633 112.441 108.800 0.013 0.000 2.667 834 G HA2 -0.030 3.930 3.960 -0.001 0.000 0.250 834 G HA3 -0.030 3.930 3.960 -0.001 0.000 0.250 834 G C 1.062 176.039 174.900 0.128 0.000 1.212 834 G CA -0.624 44.498 45.100 0.035 0.000 0.874 834 G HN 0.672 nan 8.290 nan 0.000 0.561 835 W N 0.005 121.422 121.300 0.196 0.000 2.325 835 W HA -0.198 4.461 4.660 -0.001 0.000 0.299 835 W C 1.636 178.312 176.519 0.262 0.000 1.215 835 W CA 1.179 58.705 57.345 0.301 0.000 1.244 835 W CB -0.824 28.724 29.460 0.146 0.000 1.140 835 W HN 0.520 nan 8.180 nan 0.000 0.523 836 Q N 1.347 120.718 119.800 -0.716 0.000 2.112 836 Q HA -0.227 4.112 4.340 -0.001 0.000 0.206 836 Q C 1.851 177.734 176.000 -0.195 0.000 0.987 836 Q CA 2.597 58.014 55.803 -0.643 0.000 0.858 836 Q CB -0.822 27.366 28.738 -0.917 0.000 0.905 836 Q HN 0.460 nan 8.270 nan 0.000 0.420 837 E N -1.253 118.775 120.200 -0.287 0.000 2.515 837 E HA -0.136 4.214 4.350 -0.001 0.000 0.201 837 E C 0.553 176.928 176.600 -0.375 0.000 1.071 837 E CA 0.646 56.831 56.400 -0.358 0.000 0.880 837 E CB 0.091 29.494 29.700 -0.495 0.000 0.828 837 E HN 0.530 nan 8.360 nan 0.000 0.540 838 Y N -2.538 117.827 120.300 0.109 0.000 2.526 838 Y HA 0.119 4.669 4.550 -0.000 0.000 0.265 838 Y C 0.490 176.503 175.900 0.187 0.000 1.092 838 Y CA -0.619 57.567 58.100 0.145 0.000 1.277 838 Y CB 0.322 38.913 38.460 0.218 0.000 1.228 838 Y HN -0.033 nan 8.280 nan 0.000 0.507 839 Y N 2.309 122.771 120.300 0.269 0.000 2.336 839 Y HA 0.263 4.813 4.550 -0.001 0.000 0.331 839 Y C -0.867 175.095 175.900 0.103 0.000 1.211 839 Y CA -0.408 57.837 58.100 0.241 0.000 1.346 839 Y CB 0.559 39.294 38.460 0.458 0.000 1.271 839 Y HN 0.018 nan 8.280 nan 0.000 0.538 840 D N 5.031 125.253 120.400 -0.295 0.000 2.473 840 D HA 0.246 4.885 4.640 -0.001 0.000 0.253 840 D C -0.447 175.676 176.300 -0.296 0.000 1.233 840 D CA -0.629 53.254 54.000 -0.195 0.000 0.908 840 D CB 1.163 41.858 40.800 -0.175 0.000 1.170 840 D HN 0.277 nan 8.370 nan 0.000 0.558 841 K N 1.027 121.409 120.400 -0.030 0.000 2.462 841 K HA 0.393 4.713 4.320 -0.001 0.000 0.257 841 K C 1.109 177.708 176.600 -0.000 0.000 1.062 841 K CA -0.595 55.721 56.287 0.048 0.000 0.923 841 K CB 0.374 32.982 32.500 0.181 0.000 1.210 841 K HN 0.446 nan 8.250 nan 0.000 0.502 842 L N 0.000 121.249 121.223 0.044 0.000 2.949 842 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 842 L CA 0.000 54.863 54.840 0.038 0.000 0.813 842 L CB 0.000 42.082 42.059 0.038 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502