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 1n0u_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 QVVSEEQXXX 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 0.000 177.425 177.584 -0.266 0.000 1.274 3 A CA 0.000 51.849 52.037 -0.314 0.000 0.836 3 A CB 0.000 18.900 19.000 -0.167 0.000 0.831 4 F N 1.058 120.964 119.950 -0.073 0.000 2.561 4 F HA 0.758 5.284 4.527 -0.000 0.000 0.321 4 F C 1.156 176.922 175.800 -0.057 0.000 1.065 4 F CA -0.430 57.519 58.000 -0.085 0.000 0.934 4 F CB 2.130 41.067 39.000 -0.105 0.000 1.215 4 F HN 0.572 nan 8.300 nan 0.000 0.471 5 T N -1.668 112.985 114.554 0.165 0.000 2.849 5 T HA 0.350 4.700 4.350 -0.001 0.000 0.284 5 T C 1.104 175.830 174.700 0.042 0.000 1.004 5 T CA -0.671 61.467 62.100 0.063 0.000 1.021 5 T CB 1.029 69.910 68.868 0.021 0.000 1.013 5 T HN 0.289 nan 8.240 nan 0.000 0.527 6 V N 1.195 121.122 119.914 0.022 0.000 2.407 6 V HA -0.151 3.969 4.120 -0.001 0.000 0.248 6 V C 2.473 178.558 176.094 -0.015 0.000 1.055 6 V CA 1.994 64.301 62.300 0.011 0.000 1.049 6 V CB -0.796 31.031 31.823 0.007 0.000 0.662 6 V HN 0.874 nan 8.190 nan 0.000 0.455 7 D N -0.324 120.059 120.400 -0.028 0.000 2.117 7 D HA -0.186 4.454 4.640 -0.001 0.000 0.197 7 D C 2.312 178.558 176.300 -0.089 0.000 0.987 7 D CA 1.266 55.236 54.000 -0.049 0.000 0.829 7 D CB -0.135 40.638 40.800 -0.045 0.000 0.961 7 D HN 0.546 nan 8.370 nan 0.000 0.460 8 Q N -0.409 119.318 119.800 -0.123 0.000 2.079 8 Q HA -0.089 4.251 4.340 -0.001 0.000 0.200 8 Q C 2.253 178.092 176.000 -0.269 0.000 0.974 8 Q CA 0.819 56.461 55.803 -0.268 0.000 0.840 8 Q CB 0.010 28.499 28.738 -0.415 0.000 0.898 8 Q HN 0.219 nan 8.270 nan 0.000 0.430 9 M N 0.154 119.676 119.600 -0.129 0.000 2.067 9 M HA -0.154 4.325 4.480 -0.001 0.000 0.260 9 M C 2.187 178.456 176.300 -0.052 0.000 1.069 9 M CA 1.489 56.760 55.300 -0.049 0.000 1.117 9 M CB -0.836 31.786 32.600 0.036 0.000 1.334 9 M HN 0.041 nan 8.290 nan 0.000 0.407 10 R N 0.343 120.815 120.500 -0.047 0.000 2.117 10 R HA -0.117 4.222 4.340 -0.001 0.000 0.243 10 R C 2.427 178.692 176.300 -0.058 0.000 1.143 10 R CA 2.179 58.254 56.100 -0.042 0.000 0.968 10 R CB -0.909 29.368 30.300 -0.037 0.000 0.863 10 R HN 0.387 nan 8.270 nan 0.000 0.444 11 S N -0.779 114.869 115.700 -0.086 0.000 2.368 11 S HA -0.071 4.399 4.470 -0.001 0.000 0.224 11 S C 1.708 176.253 174.600 -0.092 0.000 1.029 11 S CA 0.974 59.117 58.200 -0.094 0.000 0.988 11 S CB -0.268 62.857 63.200 -0.124 0.000 0.838 11 S HN 0.284 nan 8.310 nan 0.000 0.462 12 L N 1.493 122.654 121.223 -0.103 0.000 2.046 12 L HA 0.137 4.477 4.340 -0.001 0.000 0.208 12 L C 2.453 179.301 176.870 -0.037 0.000 1.077 12 L CA 1.780 56.581 54.840 -0.065 0.000 0.747 12 L CB -0.918 41.120 42.059 -0.036 0.000 0.896 12 L HN 0.426 nan 8.230 nan 0.000 0.432 13 M N -1.395 118.187 119.600 -0.031 0.000 2.460 13 M HA -0.165 4.314 4.480 -0.001 0.000 0.263 13 M C 1.494 177.773 176.300 -0.034 0.000 1.071 13 M CA 0.975 56.261 55.300 -0.023 0.000 1.096 13 M CB -0.334 32.255 32.600 -0.019 0.000 1.408 13 M HN 0.171 nan 8.290 nan 0.000 0.463 14 D N 0.930 121.304 120.400 -0.043 0.000 2.183 14 D HA -0.037 4.603 4.640 -0.001 0.000 0.203 14 D C 0.482 176.755 176.300 -0.046 0.000 0.969 14 D CA 1.036 55.010 54.000 -0.044 0.000 0.842 14 D CB 0.093 40.864 40.800 -0.047 0.000 0.957 14 D HN 0.333 nan 8.370 nan 0.000 0.484 15 K N 1.493 121.860 120.400 -0.055 0.000 2.333 15 K HA 0.105 4.425 4.320 -0.001 0.000 0.241 15 K C 1.386 177.954 176.600 -0.052 0.000 1.193 15 K CA -0.217 56.032 56.287 -0.064 0.000 1.142 15 K CB 1.023 33.465 32.500 -0.097 0.000 1.731 15 K HN -0.063 nan 8.250 nan 0.000 0.344 16 V N -1.585 118.308 119.914 -0.036 0.000 3.026 16 V HA -0.232 3.887 4.120 -0.001 0.000 0.265 16 V C 2.032 178.121 176.094 -0.008 0.000 1.121 16 V CA 1.942 64.229 62.300 -0.022 0.000 1.142 16 V CB -1.273 30.535 31.823 -0.026 0.000 0.730 16 V HN 0.607 nan 8.190 nan 0.000 0.503 17 T N -2.161 112.383 114.554 -0.015 0.000 2.915 17 T HA -0.105 4.245 4.350 -0.001 0.000 0.269 17 T C 1.328 176.048 174.700 0.034 0.000 1.071 17 T CA 1.564 63.668 62.100 0.006 0.000 1.132 17 T CB -0.763 68.100 68.868 -0.008 0.000 0.878 17 T HN 0.640 nan 8.240 nan 0.000 0.479 18 N N 1.020 119.706 118.700 -0.023 0.000 2.321 18 N HA 0.316 5.055 4.740 -0.001 0.000 0.242 18 N C -0.910 174.655 175.510 0.091 0.000 1.141 18 N CA -0.140 52.881 53.050 -0.048 0.000 0.864 18 N CB 0.933 39.162 38.487 -0.430 0.000 1.100 18 N HN 0.236 nan 8.380 nan 0.000 0.510 19 V N 1.186 121.160 119.914 0.099 0.000 2.769 19 V HA 0.464 4.584 4.120 -0.001 0.000 0.312 19 V C -0.092 176.067 176.094 0.108 0.000 1.058 19 V CA -0.660 61.697 62.300 0.096 0.000 0.952 19 V CB 2.208 34.055 31.823 0.039 0.000 1.019 19 V HN 0.132 nan 8.190 nan 0.000 0.445 20 R N 2.906 123.464 120.500 0.097 0.000 2.507 20 R HA 0.400 4.739 4.340 -0.001 0.000 0.298 20 R C -1.238 175.098 176.300 0.059 0.000 1.087 20 R CA -0.545 55.599 56.100 0.073 0.000 0.917 20 R CB 1.306 31.645 30.300 0.064 0.000 1.173 20 R HN 0.615 nan 8.270 nan 0.000 0.472 21 N N 4.287 123.016 118.700 0.048 0.000 2.414 21 N HA 0.412 5.152 4.740 -0.001 0.000 0.256 21 N C 0.108 175.652 175.510 0.058 0.000 1.029 21 N CA -0.268 52.811 53.050 0.048 0.000 0.948 21 N CB 1.459 39.960 38.487 0.023 0.000 1.102 21 N HN 0.437 nan 8.380 nan 0.000 0.496 22 M N -0.699 118.938 119.600 0.062 0.000 3.213 22 M HA 0.653 5.132 4.480 -0.001 0.000 0.278 22 M C -0.584 175.749 176.300 0.055 0.000 1.332 22 M CA -0.963 54.370 55.300 0.056 0.000 0.810 22 M CB 1.258 33.881 32.600 0.038 0.000 1.676 22 M HN 0.272 nan 8.290 nan 0.000 0.463 23 S N -0.843 114.881 115.700 0.040 0.000 2.656 23 S HA 0.925 5.395 4.470 -0.001 0.000 0.273 23 S C -1.556 173.049 174.600 0.009 0.000 1.168 23 S CA -0.796 57.422 58.200 0.030 0.000 0.817 23 S CB 1.568 64.792 63.200 0.041 0.000 1.146 23 S HN 1.002 nan 8.310 nan 0.000 0.475 24 V N 1.610 121.522 119.914 -0.003 0.000 2.384 24 V HA 0.475 4.595 4.120 -0.001 0.000 0.287 24 V C -0.595 175.487 176.094 -0.019 0.000 1.020 24 V CA -0.581 61.710 62.300 -0.016 0.000 0.850 24 V CB 1.050 32.859 31.823 -0.022 0.000 0.987 24 V HN 0.796 nan 8.190 nan 0.000 0.436 25 I N 4.965 125.522 120.570 -0.021 0.000 2.306 25 I HA 0.719 4.888 4.170 -0.001 0.000 0.288 25 I C 0.283 176.389 176.117 -0.019 0.000 1.036 25 I CA 0.063 61.348 61.300 -0.024 0.000 1.221 25 I CB 0.997 38.982 38.000 -0.025 0.000 1.385 25 I HN 0.759 nan 8.210 nan 0.000 0.472 26 A N 5.484 128.292 122.820 -0.020 0.000 2.594 26 A HA 0.363 4.682 4.320 -0.001 0.000 0.296 26 A C -1.212 176.362 177.584 -0.016 0.000 1.061 26 A CA -0.635 51.408 52.037 0.009 0.000 0.689 26 A CB 1.245 20.259 19.000 0.024 0.000 1.280 26 A HN 0.669 nan 8.150 nan 0.000 0.406 27 H N 2.244 121.235 119.070 -0.133 0.000 2.683 27 H HA 0.250 4.806 4.556 -0.001 0.000 0.339 27 H C 1.773 177.011 175.328 -0.150 0.000 1.081 27 H CA 1.027 56.944 56.048 -0.218 0.000 1.432 27 H CB 1.612 31.087 29.762 -0.479 0.000 1.462 27 H HN 0.920 nan 8.280 nan 0.000 0.557 28 V N 2.110 121.902 119.914 -0.203 0.000 2.439 28 V HA -0.256 3.864 4.120 -0.001 0.000 0.253 28 V C 1.226 177.397 176.094 0.129 0.000 1.074 28 V CA 2.202 64.477 62.300 -0.041 0.000 1.076 28 V CB -0.212 31.539 31.823 -0.120 0.000 0.664 28 V HN 0.630 nan 8.190 nan 0.000 0.461 29 D N -0.789 119.831 120.400 0.366 0.000 2.349 29 D HA 0.018 4.657 4.640 -0.001 0.000 0.224 29 D C 1.460 177.902 176.300 0.236 0.000 1.029 29 D CA 0.867 54.991 54.000 0.206 0.000 0.879 29 D CB -0.368 40.487 40.800 0.091 0.000 0.906 29 D HN 0.735 nan 8.370 nan 0.000 0.528 30 H N -0.757 118.366 119.070 0.089 0.000 2.505 30 H HA 0.295 4.851 4.556 -0.001 0.000 0.289 30 H C 0.989 176.318 175.328 0.000 0.000 1.052 30 H CA -0.162 55.898 56.048 0.019 0.000 1.156 30 H CB 0.705 30.475 29.762 0.013 0.000 1.507 30 H HN 0.106 nan 8.280 nan 0.000 0.548 31 G N 1.994 110.867 108.800 0.121 0.000 2.137 31 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.237 31 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.237 31 G C 1.067 175.983 174.900 0.027 0.000 1.002 31 G CA 0.596 45.726 45.100 0.051 0.000 0.702 31 G HN 0.457 nan 8.290 nan 0.000 0.515 32 K N 0.499 120.919 120.400 0.034 0.000 2.001 32 K HA -0.129 4.191 4.320 -0.001 0.000 0.214 32 K C 2.728 179.322 176.600 -0.010 0.000 1.050 32 K CA 2.278 58.567 56.287 0.003 0.000 0.934 32 K CB -0.435 32.057 32.500 -0.012 0.000 0.718 32 K HN 0.446 nan 8.250 nan 0.000 0.443 33 S N -0.140 115.554 115.700 -0.010 0.000 2.359 33 S HA -0.179 4.291 4.470 -0.001 0.000 0.224 33 S C 2.034 176.629 174.600 -0.008 0.000 1.035 33 S CA 2.442 60.633 58.200 -0.015 0.000 1.018 33 S CB -0.827 62.364 63.200 -0.015 0.000 0.876 33 S HN 0.697 nan 8.310 nan 0.000 0.448 34 T N 0.596 115.150 114.554 0.000 0.000 2.746 34 T HA -0.000 4.349 4.350 -0.001 0.000 0.267 34 T C 1.920 176.617 174.700 -0.005 0.000 1.039 34 T CA 1.426 63.528 62.100 0.003 0.000 1.142 34 T CB -0.733 68.141 68.868 0.011 0.000 0.866 34 T HN 0.407 nan 8.240 nan 0.000 0.444 35 L N 1.664 122.877 121.223 -0.016 0.000 2.056 35 L HA -0.055 4.285 4.340 -0.001 0.000 0.207 35 L C 3.385 180.244 176.870 -0.020 0.000 1.078 35 L CA 1.838 56.662 54.840 -0.027 0.000 0.749 35 L CB -1.175 40.859 42.059 -0.042 0.000 0.901 35 L HN 0.561 nan 8.230 nan 0.000 0.433 36 T N -3.977 110.567 114.554 -0.017 0.000 2.777 36 T HA -0.180 4.170 4.350 -0.001 0.000 0.266 36 T C 1.526 176.221 174.700 -0.007 0.000 1.040 36 T CA 1.264 63.356 62.100 -0.014 0.000 1.141 36 T CB -0.355 68.501 68.868 -0.018 0.000 0.868 36 T HN 0.192 nan 8.240 nan 0.000 0.444 37 D N 1.162 121.558 120.400 -0.006 0.000 2.149 37 D HA -0.079 4.561 4.640 -0.001 0.000 0.198 37 D C 2.369 178.672 176.300 0.006 0.000 0.990 37 D CA 1.390 55.390 54.000 0.000 0.000 0.839 37 D CB -0.564 40.237 40.800 0.002 0.000 0.948 37 D HN 0.496 nan 8.370 nan 0.000 0.460 38 S N -0.197 115.506 115.700 0.005 0.000 2.368 38 S HA -0.084 4.386 4.470 -0.001 0.000 0.225 38 S C 2.131 176.737 174.600 0.011 0.000 1.030 38 S CA 0.586 58.792 58.200 0.011 0.000 0.999 38 S CB -0.210 62.993 63.200 0.007 0.000 0.844 38 S HN 0.177 nan 8.310 nan 0.000 0.459 39 L N 0.875 122.101 121.223 0.004 0.000 2.056 39 L HA -0.057 4.282 4.340 -0.001 0.000 0.207 39 L C 2.528 179.408 176.870 0.016 0.000 1.078 39 L CA 1.049 55.894 54.840 0.007 0.000 0.749 39 L CB -0.587 41.473 42.059 0.002 0.000 0.901 39 L HN 0.228 nan 8.230 nan 0.000 0.433 40 V N -0.423 119.500 119.914 0.014 0.000 2.295 40 V HA -0.317 3.803 4.120 -0.001 0.000 0.246 40 V C 2.439 178.544 176.094 0.017 0.000 1.049 40 V CA 1.769 64.079 62.300 0.018 0.000 1.024 40 V CB -0.618 31.213 31.823 0.013 0.000 0.648 40 V HN 0.506 nan 8.190 nan 0.000 0.447 41 Q N -0.413 119.397 119.800 0.016 0.000 2.124 41 Q HA -0.253 4.086 4.340 -0.001 0.000 0.202 41 Q C 2.432 178.443 176.000 0.018 0.000 0.977 41 Q CA 1.812 57.624 55.803 0.016 0.000 0.850 41 Q CB -0.212 28.537 28.738 0.018 0.000 0.901 41 Q HN 0.479 nan 8.270 nan 0.000 0.429 42 R N 0.163 120.677 120.500 0.023 0.000 2.100 42 R HA 0.027 4.367 4.340 -0.001 0.000 0.220 42 R C 1.008 177.329 176.300 0.036 0.000 1.091 42 R CA 1.518 57.635 56.100 0.028 0.000 0.986 42 R CB 0.092 30.409 30.300 0.028 0.000 0.888 42 R HN 0.145 nan 8.270 nan 0.000 0.444 43 A N -0.832 122.011 122.820 0.039 0.000 2.661 43 A HA 0.432 4.751 4.320 -0.001 0.000 0.278 43 A C 0.526 178.149 177.584 0.065 0.000 1.090 43 A CA -0.038 52.038 52.037 0.065 0.000 0.969 43 A CB 0.123 19.165 19.000 0.070 0.000 1.240 43 A HN 0.342 nan 8.150 nan 0.000 0.578 44 G N 0.325 109.145 108.800 0.034 0.000 2.414 44 G HA2 0.406 4.366 3.960 -0.001 0.000 0.236 44 G HA3 0.406 4.366 3.960 -0.001 0.000 0.236 44 G C -0.142 174.753 174.900 -0.009 0.000 1.293 44 G CA 0.176 45.292 45.100 0.027 0.000 0.869 44 G HN 0.342 nan 8.290 nan 0.000 0.556 45 I N 1.467 122.039 120.570 0.005 0.000 2.412 45 I HA 0.428 4.598 4.170 -0.001 0.000 0.296 45 I C 0.052 176.150 176.117 -0.032 0.000 0.987 45 I CA -0.440 60.823 61.300 -0.062 0.000 1.180 45 I CB 1.645 39.672 38.000 0.046 0.000 1.340 45 I HN 0.208 nan 8.210 nan 0.000 0.455 46 I N 3.436 123.952 120.570 -0.090 0.000 2.828 46 I HA 0.280 4.450 4.170 -0.001 0.000 0.302 46 I C 0.032 176.122 176.117 -0.045 0.000 1.101 46 I CA -0.638 60.637 61.300 -0.042 0.000 1.031 46 I CB 2.381 40.347 38.000 -0.057 0.000 1.231 46 I HN 0.464 nan 8.210 nan 0.000 0.427 47 S N 2.587 118.275 115.700 -0.020 0.000 2.572 47 S HA 0.360 4.830 4.470 -0.001 0.000 0.279 47 S C 0.432 175.014 174.600 -0.029 0.000 1.341 47 S CA -0.573 57.622 58.200 -0.007 0.000 1.043 47 S CB 1.098 64.287 63.200 -0.018 0.000 0.887 47 S HN 0.663 nan 8.310 nan 0.000 0.516 68 I N 2.167 122.799 120.570 0.103 0.000 2.577 68 I HA 0.576 4.746 4.170 -0.001 0.000 0.300 68 I C 0.676 176.853 176.117 0.099 0.000 0.990 68 I CA -0.392 60.957 61.300 0.081 0.000 1.283 68 I CB 1.891 39.953 38.000 0.103 0.000 1.411 68 I HN 0.188 nan 8.210 nan 0.000 0.515 69 T N 3.513 118.061 114.554 -0.009 0.000 2.906 69 T HA 0.795 5.144 4.350 -0.001 0.000 0.295 69 T C -0.524 174.064 174.700 -0.186 0.000 1.061 69 T CA -0.744 61.297 62.100 -0.098 0.000 1.000 69 T CB 2.169 70.954 68.868 -0.138 0.000 1.103 69 T HN 0.572 nan 8.240 nan 0.000 0.486 70 I N -1.976 118.453 120.570 -0.234 0.000 3.343 70 I HA 0.670 4.839 4.170 -0.001 0.000 0.315 70 I C -0.731 175.230 176.117 -0.260 0.000 1.153 70 I CA -1.590 59.556 61.300 -0.256 0.000 0.952 70 I CB 2.187 40.069 38.000 -0.198 0.000 1.287 70 I HN 0.687 nan 8.210 nan 0.000 0.472 71 K N 2.075 122.322 120.400 -0.255 0.000 2.322 71 K HA 0.182 4.502 4.320 -0.001 0.000 0.283 71 K C -0.036 176.429 176.600 -0.224 0.000 1.042 71 K CA -0.072 56.075 56.287 -0.233 0.000 0.958 71 K CB 1.050 33.415 32.500 -0.226 0.000 0.984 71 K HN 0.735 nan 8.250 nan 0.000 0.473 72 S N 2.969 118.540 115.700 -0.215 0.000 2.596 72 S HA -0.015 4.455 4.470 -0.001 0.000 0.298 72 S C 0.473 174.945 174.600 -0.213 0.000 1.255 72 S CA 0.108 58.190 58.200 -0.196 0.000 1.083 72 S CB 0.230 63.330 63.200 -0.168 0.000 0.837 72 S HN 0.725 nan 8.310 nan 0.000 0.499 73 T N 3.872 118.271 114.554 -0.257 0.000 2.964 73 T HA 0.536 4.886 4.350 -0.001 0.000 0.249 73 T C 0.150 174.615 174.700 -0.391 0.000 1.000 73 T CA 0.417 62.271 62.100 -0.410 0.000 0.992 73 T CB 0.512 68.972 68.868 -0.679 0.000 1.087 73 T HN 0.811 nan 8.240 nan 0.000 0.489 74 A N 0.781 123.469 122.820 -0.220 0.000 2.604 74 A HA 0.778 5.098 4.320 -0.001 0.000 0.295 74 A C -1.895 175.689 177.584 0.000 0.000 1.067 74 A CA -0.726 51.273 52.037 -0.064 0.000 0.683 74 A CB 1.061 20.109 19.000 0.080 0.000 1.281 74 A HN 0.260 nan 8.150 nan 0.000 0.407 75 I N 0.805 121.393 120.570 0.030 0.000 2.689 75 I HA 0.474 4.643 4.170 -0.001 0.000 0.299 75 I C -0.067 176.095 176.117 0.074 0.000 1.059 75 I CA -0.613 60.715 61.300 0.045 0.000 1.055 75 I CB 2.570 40.585 38.000 0.025 0.000 1.243 75 I HN 0.542 nan 8.210 nan 0.000 0.425 76 S N 5.446 121.200 115.700 0.090 0.000 2.451 76 S HA 0.670 5.140 4.470 -0.001 0.000 0.301 76 S C -0.662 174.010 174.600 0.121 0.000 1.116 76 S CA -0.559 57.710 58.200 0.115 0.000 1.093 76 S CB 1.272 64.554 63.200 0.137 0.000 1.017 76 S HN 0.184 nan 8.310 nan 0.000 0.482 77 L N 2.778 124.083 121.223 0.137 0.000 2.333 77 L HA 0.577 4.916 4.340 -0.001 0.000 0.269 77 L C -0.809 176.205 176.870 0.240 0.000 1.010 77 L CA -0.787 54.141 54.840 0.147 0.000 0.818 77 L CB 0.977 43.092 42.059 0.094 0.000 1.306 77 L HN 0.729 nan 8.230 nan 0.000 0.430 78 Y N 1.137 121.506 120.300 0.115 0.000 2.361 78 Y HA 0.687 5.236 4.550 -0.001 0.000 0.337 78 Y C -0.534 175.456 175.900 0.150 0.000 0.965 78 Y CA -0.387 57.823 58.100 0.183 0.000 1.091 78 Y CB 1.936 40.553 38.460 0.262 0.000 1.182 78 Y HN 0.569 nan 8.280 nan 0.000 0.450 79 S N 4.848 120.286 115.700 -0.438 0.000 2.540 79 S HA 0.565 5.035 4.470 -0.001 0.000 0.275 79 S C -1.760 172.651 174.600 -0.316 0.000 1.123 79 S CA -0.693 57.335 58.200 -0.286 0.000 0.907 79 S CB 1.137 64.276 63.200 -0.100 0.000 1.081 79 S HN 0.766 nan 8.310 nan 0.000 0.476 80 E N 3.591 123.689 120.200 -0.170 0.000 2.187 80 E HA 0.478 4.828 4.350 -0.001 0.000 0.268 80 E C -0.726 175.901 176.600 0.045 0.000 0.896 80 E CA -0.837 55.549 56.400 -0.023 0.000 0.766 80 E CB 1.662 31.366 29.700 0.007 0.000 1.142 80 E HN 0.510 nan 8.360 nan 0.000 0.408 81 M N 1.299 120.974 119.600 0.125 0.000 2.644 81 M HA 0.315 4.795 4.480 -0.001 0.000 0.316 81 M C 0.340 176.683 176.300 0.071 0.000 1.200 81 M CA -0.855 54.483 55.300 0.063 0.000 0.944 81 M CB 1.759 34.379 32.600 0.032 0.000 1.691 81 M HN 0.549 nan 8.290 nan 0.000 0.471 82 S N -0.151 115.570 115.700 0.036 0.000 2.600 82 S HA 0.126 4.596 4.470 -0.001 0.000 0.265 82 S C 0.578 175.203 174.600 0.040 0.000 1.325 82 S CA -0.454 57.766 58.200 0.034 0.000 1.002 82 S CB 0.776 63.987 63.200 0.018 0.000 0.921 82 S HN 0.639 nan 8.310 nan 0.000 0.554 83 D N 1.172 121.593 120.400 0.034 0.000 2.182 83 D HA -0.156 4.484 4.640 -0.001 0.000 0.201 83 D C 1.951 178.266 176.300 0.025 0.000 0.986 83 D CA 1.843 55.862 54.000 0.032 0.000 0.847 83 D CB -0.114 40.700 40.800 0.024 0.000 0.942 83 D HN 0.946 nan 8.370 nan 0.000 0.467 84 E N 1.081 121.292 120.200 0.018 0.000 2.072 84 E HA -0.155 4.195 4.350 -0.001 0.000 0.190 84 E C 1.341 177.943 176.600 0.004 0.000 0.982 84 E CA 0.918 57.325 56.400 0.011 0.000 0.803 84 E CB -0.106 29.599 29.700 0.008 0.000 0.755 84 E HN -0.019 nan 8.360 nan 0.000 0.453 85 D N 1.303 121.703 120.400 0.001 0.000 2.092 85 D HA -0.152 4.488 4.640 -0.001 0.000 0.193 85 D C 2.229 178.518 176.300 -0.018 0.000 0.994 85 D CA 1.573 55.561 54.000 -0.020 0.000 0.828 85 D CB -0.450 40.331 40.800 -0.031 0.000 0.963 85 D HN 0.108 nan 8.370 nan 0.000 0.450 86 V N 1.012 120.941 119.914 0.025 0.000 2.453 86 V HA -0.265 3.855 4.120 -0.001 0.000 0.252 86 V C 2.184 178.300 176.094 0.038 0.000 1.068 86 V CA 1.600 63.941 62.300 0.069 0.000 1.070 86 V CB -0.438 31.462 31.823 0.128 0.000 0.664 86 V HN 0.243 nan 8.190 nan 0.000 0.461 87 K N -0.350 120.062 120.400 0.020 0.000 2.283 87 K HA -0.148 4.172 4.320 -0.001 0.000 0.202 87 K C 1.994 178.592 176.600 -0.003 0.000 1.048 87 K CA 1.139 57.433 56.287 0.011 0.000 0.948 87 K CB -0.115 32.391 32.500 0.009 0.000 0.742 87 K HN 0.572 nan 8.250 nan 0.000 0.458 88 E N 0.684 120.872 120.200 -0.020 0.000 2.358 88 E HA -0.015 4.334 4.350 -0.001 0.000 0.195 88 E C 0.108 176.670 176.600 -0.063 0.000 1.010 88 E CA 0.104 56.481 56.400 -0.040 0.000 0.856 88 E CB 0.108 29.775 29.700 -0.055 0.000 0.795 88 E HN 0.260 nan 8.360 nan 0.000 0.504 89 I N 2.567 123.102 120.570 -0.060 0.000 2.581 89 I HA -0.067 4.103 4.170 -0.001 0.000 0.285 89 I C 0.431 176.534 176.117 -0.023 0.000 1.129 89 I CA 0.544 61.805 61.300 -0.066 0.000 1.397 89 I CB 0.345 38.331 38.000 -0.023 0.000 1.399 89 I HN -0.177 nan 8.210 nan 0.000 0.537 90 K N 7.287 127.672 120.400 -0.025 0.000 3.006 90 K HA 0.162 4.481 4.320 -0.001 0.000 0.262 90 K C -0.182 176.433 176.600 0.024 0.000 1.289 90 K CA -0.055 56.236 56.287 0.006 0.000 1.245 90 K CB -0.021 32.488 32.500 0.015 0.000 1.614 90 K HN 0.557 nan 8.250 nan 0.000 0.322 91 Q N 0.578 120.395 119.800 0.027 0.000 2.479 91 Q HA 0.156 4.496 4.340 -0.001 0.000 0.276 91 Q C -1.498 174.529 176.000 0.045 0.000 0.989 91 Q CA -0.883 54.946 55.803 0.043 0.000 0.864 91 Q CB 1.546 30.314 28.738 0.050 0.000 1.444 91 Q HN 0.079 nan 8.270 nan 0.000 0.388 92 K N 1.671 122.096 120.400 0.041 0.000 2.466 92 K HA 0.116 4.436 4.320 -0.001 0.000 0.278 92 K C -1.103 175.522 176.600 0.042 0.000 1.048 92 K CA 1.057 57.363 56.287 0.033 0.000 1.088 92 K CB 0.377 32.891 32.500 0.023 0.000 0.884 92 K HN 0.562 nan 8.250 nan 0.000 0.478 93 T N 2.880 117.455 114.554 0.035 0.000 2.906 93 T HA 0.201 4.551 4.350 -0.001 0.000 0.295 93 T C -1.395 173.294 174.700 -0.017 0.000 1.061 93 T CA -0.804 61.316 62.100 0.034 0.000 1.000 93 T CB 1.530 70.454 68.868 0.093 0.000 1.103 93 T HN 0.543 nan 8.240 nan 0.000 0.486 94 D N 0.727 121.080 120.400 -0.077 0.000 2.330 94 D HA 0.525 5.165 4.640 -0.001 0.000 0.249 94 D C 0.265 176.474 176.300 -0.152 0.000 1.306 94 D CA 0.534 54.480 54.000 -0.091 0.000 0.956 94 D CB 0.039 40.792 40.800 -0.079 0.000 1.261 94 D HN 1.032 nan 8.370 nan 0.000 0.544 95 G N 2.833 111.561 108.800 -0.121 0.000 2.655 95 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.680 95 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.680 95 G C 0.193 174.978 174.900 -0.191 0.000 1.302 95 G CA -0.613 44.403 45.100 -0.139 0.000 0.872 95 G HN 0.377 nan 8.290 nan 0.000 0.540 96 N N -0.239 118.379 118.700 -0.136 0.000 2.236 96 N HA 0.259 4.999 4.740 -0.001 0.000 0.196 96 N C 0.448 175.893 175.510 -0.107 0.000 1.114 96 N CA 0.633 53.664 53.050 -0.032 0.000 0.859 96 N CB 0.829 39.351 38.487 0.058 0.000 0.982 96 N HN 0.525 nan 8.380 nan 0.000 0.493 97 S N 0.326 115.810 115.700 -0.359 0.000 2.541 97 S HA 0.584 5.054 4.470 -0.001 0.000 0.283 97 S C -0.590 173.591 174.600 -0.699 0.000 1.196 97 S CA -0.352 57.656 58.200 -0.321 0.000 1.062 97 S CB 0.835 64.004 63.200 -0.051 0.000 1.009 97 S HN 0.045 nan 8.310 nan 0.000 0.502 98 F N 1.507 121.339 119.950 -0.197 0.000 2.569 98 F HA 0.515 5.042 4.527 -0.000 0.000 0.312 98 F C -0.593 175.188 175.800 -0.032 0.000 1.109 98 F CA -1.007 56.936 58.000 -0.096 0.000 0.919 98 F CB 1.376 40.315 39.000 -0.102 0.000 1.211 98 F HN 0.311 nan 8.300 nan 0.000 0.446 99 L N 4.758 126.095 121.223 0.190 0.000 2.287 99 L HA 0.673 5.013 4.340 -0.001 0.000 0.287 99 L C -1.110 175.857 176.870 0.161 0.000 1.022 99 L CA -0.384 54.572 54.840 0.194 0.000 0.814 99 L CB 0.754 42.901 42.059 0.148 0.000 1.217 99 L HN 0.499 nan 8.230 nan 0.000 0.420 100 I N 4.839 125.497 120.570 0.148 0.000 2.389 100 I HA 0.342 4.511 4.170 -0.001 0.000 0.288 100 I C -0.441 175.736 176.117 0.099 0.000 0.999 100 I CA -0.463 60.901 61.300 0.106 0.000 1.129 100 I CB 1.422 39.468 38.000 0.077 0.000 1.288 100 I HN 0.634 nan 8.210 nan 0.000 0.444 101 N N 6.327 125.079 118.700 0.088 0.000 2.420 101 N HA 0.337 5.077 4.740 -0.001 0.000 0.249 101 N C -0.873 174.687 175.510 0.083 0.000 1.033 101 N CA -0.558 52.548 53.050 0.093 0.000 0.944 101 N CB 1.260 39.803 38.487 0.094 0.000 1.113 101 N HN 0.353 nan 8.380 nan 0.000 0.502 102 L N 5.172 126.439 121.223 0.074 0.000 2.270 102 L HA 0.440 4.779 4.340 -0.001 0.000 0.286 102 L C -0.895 176.007 176.870 0.053 0.000 1.059 102 L CA -0.300 54.571 54.840 0.052 0.000 0.839 102 L CB 0.056 42.135 42.059 0.033 0.000 1.221 102 L HN 0.495 nan 8.230 nan 0.000 0.431 103 I N 3.632 124.244 120.570 0.071 0.000 2.371 103 I HA 0.131 4.301 4.170 -0.001 0.000 0.290 103 I C 0.305 176.431 176.117 0.015 0.000 1.028 103 I CA -0.512 60.834 61.300 0.077 0.000 1.345 103 I CB 0.909 39.008 38.000 0.165 0.000 1.407 103 I HN 0.563 nan 8.210 nan 0.000 0.501 104 D N 5.078 125.447 120.400 -0.052 0.000 2.443 104 D HA 0.177 4.817 4.640 -0.001 0.000 0.239 104 D C -0.422 175.849 176.300 -0.049 0.000 1.136 104 D CA 0.255 54.211 54.000 -0.074 0.000 0.879 104 D CB 0.759 41.480 40.800 -0.132 0.000 1.195 104 D HN 0.578 nan 8.370 nan 0.000 0.443 105 S N 2.301 117.974 115.700 -0.045 0.000 2.536 105 S HA 0.578 5.047 4.470 -0.001 0.000 0.287 105 S C -2.133 172.431 174.600 -0.061 0.000 1.101 105 S CA -1.098 57.087 58.200 -0.026 0.000 0.950 105 S CB 1.943 65.140 63.200 -0.005 0.000 1.056 105 S HN 0.266 nan 8.310 nan 0.000 0.481 106 P HA 0.258 nan 4.420 nan 0.000 0.197 106 P C 1.290 178.522 177.300 -0.113 0.000 1.076 106 P CA 2.171 65.179 63.100 -0.153 0.000 0.876 106 P CB -0.265 31.324 31.700 -0.186 0.000 0.705 107 G N -2.920 105.888 108.800 0.013 0.000 3.033 107 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.196 107 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.196 107 G C -0.011 174.924 174.900 0.060 0.000 1.078 107 G CA 0.051 45.138 45.100 -0.023 0.000 0.805 107 G HN 0.714 nan 8.290 nan 0.000 0.472 108 H N 0.724 119.720 119.070 -0.124 0.000 3.659 108 H HA 0.378 4.933 4.556 -0.001 0.000 0.209 108 H C 0.279 175.547 175.328 -0.100 0.000 0.999 108 H CA -0.031 55.954 56.048 -0.105 0.000 1.398 108 H CB -0.442 29.276 29.762 -0.073 0.000 1.608 108 H HN 0.784 nan 8.280 nan 0.000 0.589 109 V N 0.726 120.589 119.914 -0.084 0.000 2.769 109 V HA 0.372 4.492 4.120 -0.001 0.000 0.312 109 V C -0.289 175.673 176.094 -0.219 0.000 1.061 109 V CA -0.961 61.215 62.300 -0.207 0.000 0.931 109 V CB 2.483 34.143 31.823 -0.271 0.000 1.010 109 V HN 0.779 nan 8.190 nan 0.000 0.433 110 D N 2.514 122.777 120.400 -0.229 0.000 2.825 110 D HA 0.204 4.844 4.640 -0.001 0.000 0.294 110 D C -0.448 175.909 176.300 0.094 0.000 1.651 110 D CA 0.177 54.122 54.000 -0.091 0.000 0.847 110 D CB 0.334 41.124 40.800 -0.017 0.000 1.389 110 D HN 0.668 nan 8.370 nan 0.000 0.426 111 F N 1.033 120.919 119.950 -0.107 0.000 2.789 111 F HA -0.224 4.302 4.527 -0.001 0.000 0.373 111 F C 0.633 176.368 175.800 -0.107 0.000 1.009 111 F CA -0.193 57.744 58.000 -0.106 0.000 1.386 111 F CB -2.199 36.733 39.000 -0.114 0.000 1.670 111 F HN -0.078 nan 8.300 nan 0.000 0.660 112 S N -0.698 114.974 115.700 -0.048 0.000 2.580 112 S HA 0.492 4.961 4.470 -0.001 0.000 0.274 112 S C 1.254 175.855 174.600 0.001 0.000 1.329 112 S CA -0.096 58.056 58.200 -0.080 0.000 1.036 112 S CB 1.834 64.855 63.200 -0.298 0.000 0.919 112 S HN 0.701 nan 8.310 nan 0.000 0.515 113 S N 1.302 117.025 115.700 0.040 0.000 2.428 113 S HA -0.094 4.375 4.470 -0.001 0.000 0.230 113 S C 1.352 176.016 174.600 0.107 0.000 1.014 113 S CA 0.453 58.708 58.200 0.092 0.000 0.957 113 S CB -0.546 62.728 63.200 0.125 0.000 0.784 113 S HN 0.776 nan 8.310 nan 0.000 0.499 114 E N 1.837 122.093 120.200 0.093 0.000 2.031 114 E HA -0.064 4.286 4.350 -0.001 0.000 0.193 114 E C 2.373 179.061 176.600 0.146 0.000 0.994 114 E CA 1.155 57.638 56.400 0.139 0.000 0.800 114 E CB -1.087 28.729 29.700 0.193 0.000 0.752 114 E HN 0.453 nan 8.360 nan 0.000 0.447 115 V N 1.850 121.840 119.914 0.126 0.000 2.324 115 V HA -0.264 3.856 4.120 -0.001 0.000 0.250 115 V C 2.388 178.544 176.094 0.104 0.000 1.060 115 V CA 2.342 64.706 62.300 0.107 0.000 1.042 115 V CB -1.039 30.814 31.823 0.050 0.000 0.650 115 V HN 0.304 nan 8.190 nan 0.000 0.450 116 T N -0.044 114.572 114.554 0.104 0.000 2.929 116 T HA -0.095 4.255 4.350 -0.001 0.000 0.271 116 T C 1.924 176.722 174.700 0.163 0.000 1.085 116 T CA 1.293 63.464 62.100 0.119 0.000 1.125 116 T CB -0.292 68.645 68.868 0.116 0.000 0.874 116 T HN 0.599 nan 8.240 nan 0.000 0.494 117 A N 1.257 124.189 122.820 0.187 0.000 1.897 117 A HA 0.345 4.664 4.320 -0.001 0.000 0.215 117 A C 2.611 180.358 177.584 0.271 0.000 1.181 117 A CA 1.386 53.576 52.037 0.255 0.000 0.620 117 A CB -0.916 18.215 19.000 0.217 0.000 0.821 117 A HN 0.482 nan 8.150 nan 0.000 0.443 118 A N -0.309 122.637 122.820 0.211 0.000 1.929 118 A HA 0.069 4.389 4.320 -0.001 0.000 0.216 118 A C 2.122 179.820 177.584 0.191 0.000 1.176 118 A CA 1.250 53.413 52.037 0.211 0.000 0.628 118 A CB -0.528 18.559 19.000 0.144 0.000 0.816 118 A HN 0.444 nan 8.150 nan 0.000 0.444 119 L N -1.155 120.161 121.223 0.155 0.000 2.093 119 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 119 L C 2.708 179.668 176.870 0.150 0.000 1.085 119 L CA 1.552 56.469 54.840 0.129 0.000 0.755 119 L CB -0.404 41.714 42.059 0.098 0.000 0.904 119 L HN 0.424 nan 8.230 nan 0.000 0.435 120 R N 0.364 120.970 120.500 0.178 0.000 2.139 120 R HA -0.154 4.185 4.340 -0.001 0.000 0.243 120 R C 1.855 178.296 176.300 0.235 0.000 1.145 120 R CA 1.679 57.879 56.100 0.166 0.000 0.976 120 R CB -0.117 30.275 30.300 0.153 0.000 0.866 120 R HN 0.412 nan 8.270 nan 0.000 0.449 121 V N -1.724 118.351 119.914 0.268 0.000 3.623 121 V HA 0.151 4.270 4.120 -0.001 0.000 0.271 121 V C 0.473 176.648 176.094 0.135 0.000 1.248 121 V CA 0.392 62.823 62.300 0.218 0.000 1.156 121 V CB -0.537 31.384 31.823 0.163 0.000 0.870 121 V HN 0.298 nan 8.190 nan 0.000 0.453 122 T N -3.309 111.333 114.554 0.147 0.000 2.940 122 T HA 0.564 4.914 4.350 -0.001 0.000 0.288 122 T C 0.003 174.770 174.700 0.112 0.000 1.033 122 T CA -0.317 61.849 62.100 0.111 0.000 1.033 122 T CB 2.304 71.234 68.868 0.103 0.000 1.079 122 T HN 0.189 nan 8.240 nan 0.000 0.496 123 D N 0.339 120.795 120.400 0.093 0.000 2.479 123 D HA 0.265 4.904 4.640 -0.001 0.000 0.221 123 D C 0.866 177.230 176.300 0.105 0.000 1.104 123 D CA 0.174 54.236 54.000 0.103 0.000 0.849 123 D CB 0.833 41.679 40.800 0.077 0.000 1.072 123 D HN 0.830 nan 8.370 nan 0.000 0.502 124 G N -0.112 108.736 108.800 0.081 0.000 2.672 124 G HA2 0.671 4.631 3.960 -0.001 0.000 0.292 124 G HA3 0.671 4.631 3.960 -0.001 0.000 0.292 124 G C -1.630 173.297 174.900 0.045 0.000 1.375 124 G CA -0.536 44.604 45.100 0.065 0.000 0.890 124 G HN 0.122 nan 8.290 nan 0.000 0.476 125 A N -0.120 122.715 122.820 0.026 0.000 2.520 125 A HA 0.665 4.984 4.320 -0.001 0.000 0.298 125 A C -1.594 175.980 177.584 -0.018 0.000 1.051 125 A CA -0.602 51.440 52.037 0.008 0.000 0.690 125 A CB 1.956 20.961 19.000 0.009 0.000 1.281 125 A HN 1.461 nan 8.150 nan 0.000 0.402 126 L N 3.235 124.442 121.223 -0.027 0.000 2.259 126 L HA 0.601 4.941 4.340 -0.001 0.000 0.288 126 L C -0.855 175.980 176.870 -0.058 0.000 1.051 126 L CA -0.156 54.652 54.840 -0.053 0.000 0.824 126 L CB 0.924 42.952 42.059 -0.052 0.000 1.206 126 L HN 0.401 nan 8.230 nan 0.000 0.429 127 V N 6.193 126.061 119.914 -0.077 0.000 2.406 127 V HA 0.372 4.492 4.120 -0.001 0.000 0.272 127 V C 0.058 176.099 176.094 -0.089 0.000 1.043 127 V CA -0.650 61.608 62.300 -0.071 0.000 0.915 127 V CB 1.405 33.185 31.823 -0.072 0.000 0.988 127 V HN 0.499 nan 8.190 nan 0.000 0.466 128 V N 6.208 126.090 119.914 -0.052 0.000 2.407 128 V HA 0.510 4.630 4.120 -0.001 0.000 0.278 128 V C 0.027 176.115 176.094 -0.010 0.000 1.037 128 V CA -0.355 61.914 62.300 -0.052 0.000 0.900 128 V CB 1.564 33.379 31.823 -0.014 0.000 0.983 128 V HN 0.617 nan 8.190 nan 0.000 0.459 129 V N 3.237 123.105 119.914 -0.077 0.000 2.914 129 V HA 0.437 4.557 4.120 -0.001 0.000 0.314 129 V C -0.600 175.384 176.094 -0.184 0.000 1.084 129 V CA -0.796 61.458 62.300 -0.077 0.000 0.963 129 V CB 2.392 34.160 31.823 -0.092 0.000 1.025 129 V HN 0.946 nan 8.190 nan 0.000 0.432 130 D N 1.211 121.416 120.400 -0.325 0.000 2.210 130 D HA 0.330 4.970 4.640 -0.001 0.000 0.249 130 D C 1.137 177.350 176.300 -0.146 0.000 1.078 130 D CA 0.044 53.810 54.000 -0.390 0.000 0.875 130 D CB 1.961 42.286 40.800 -0.792 0.000 1.175 130 D HN 0.586 nan 8.370 nan 0.000 0.440 131 T N 3.052 117.578 114.554 -0.046 0.000 2.684 131 T HA -0.146 4.203 4.350 -0.001 0.000 0.267 131 T C 1.808 176.537 174.700 0.048 0.000 1.036 131 T CA 1.056 63.219 62.100 0.105 0.000 1.148 131 T CB -0.139 68.837 68.868 0.180 0.000 0.863 131 T HN 0.451 nan 8.240 nan 0.000 0.436 132 I N 0.404 120.968 120.570 -0.010 0.000 2.296 132 I HA -0.034 4.136 4.170 -0.001 0.000 0.242 132 I C 2.469 178.573 176.117 -0.022 0.000 1.087 132 I CA 1.167 62.461 61.300 -0.011 0.000 1.393 132 I CB -0.294 37.699 38.000 -0.012 0.000 1.093 132 I HN 0.277 nan 8.210 nan 0.000 0.421 133 E N 0.770 120.935 120.200 -0.058 0.000 2.285 133 E HA 0.076 4.425 4.350 -0.001 0.000 0.194 133 E C 1.304 177.894 176.600 -0.017 0.000 0.997 133 E CA 0.542 56.924 56.400 -0.030 0.000 0.845 133 E CB 0.030 29.726 29.700 -0.007 0.000 0.782 133 E HN 0.581 nan 8.360 nan 0.000 0.491 134 G N 0.858 109.631 108.800 -0.046 0.000 2.509 134 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.259 134 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.259 134 G C -0.091 174.812 174.900 0.006 0.000 1.169 134 G CA -0.172 44.919 45.100 -0.015 0.000 0.953 134 G HN 0.134 nan 8.290 nan 0.000 0.563 135 V N 1.789 121.718 119.914 0.026 0.000 2.348 135 V HA 0.439 4.559 4.120 -0.001 0.000 0.270 135 V C 1.431 177.561 176.094 0.061 0.000 1.037 135 V CA -0.234 62.093 62.300 0.045 0.000 0.872 135 V CB -0.125 31.711 31.823 0.021 0.000 1.002 135 V HN 1.338 nan 8.190 nan 0.000 0.464 136 C N 4.474 123.832 119.300 0.097 0.000 2.595 136 C HA 0.507 4.967 4.460 -0.001 0.000 0.384 136 C C 2.156 177.155 174.990 0.015 0.000 1.289 136 C CA 0.011 59.059 59.018 0.050 0.000 2.372 136 C CB 0.597 28.342 27.740 0.008 0.000 2.593 136 C HN 0.834 nan 8.230 nan 0.000 0.639 137 V N 0.054 119.970 119.914 0.003 0.000 2.324 137 V HA -0.281 3.839 4.120 -0.001 0.000 0.250 137 V C 2.451 178.513 176.094 -0.054 0.000 1.060 137 V CA 2.450 64.743 62.300 -0.011 0.000 1.042 137 V CB -1.611 30.210 31.823 -0.003 0.000 0.650 137 V HN 1.064 nan 8.190 nan 0.000 0.450 138 Q N 0.463 120.238 119.800 -0.041 0.000 2.061 138 Q HA -0.209 4.131 4.340 -0.001 0.000 0.204 138 Q C 2.334 178.273 176.000 -0.102 0.000 0.984 138 Q CA 2.764 58.520 55.803 -0.077 0.000 0.846 138 Q CB -0.407 28.333 28.738 0.003 0.000 0.902 138 Q HN 0.721 nan 8.270 nan 0.000 0.421 139 T N 0.765 115.291 114.554 -0.046 0.000 2.746 139 T HA -0.194 4.156 4.350 -0.001 0.000 0.267 139 T C 1.530 176.192 174.700 -0.063 0.000 1.039 139 T CA 1.503 63.579 62.100 -0.040 0.000 1.142 139 T CB -0.227 68.650 68.868 0.016 0.000 0.866 139 T HN 0.451 nan 8.240 nan 0.000 0.444 140 E N 0.355 120.523 120.200 -0.054 0.000 2.077 140 E HA -0.158 4.192 4.350 -0.001 0.000 0.193 140 E C 2.153 178.680 176.600 -0.122 0.000 0.989 140 E CA 1.399 57.772 56.400 -0.045 0.000 0.800 140 E CB -0.072 29.628 29.700 -0.001 0.000 0.746 140 E HN 0.374 nan 8.360 nan 0.000 0.452 141 T N 0.402 114.810 114.554 -0.244 0.000 2.684 141 T HA -0.137 4.212 4.350 -0.001 0.000 0.267 141 T C 1.911 176.310 174.700 -0.503 0.000 1.036 141 T CA 1.482 63.219 62.100 -0.605 0.000 1.148 141 T CB -0.181 68.154 68.868 -0.889 0.000 0.863 141 T HN 0.039 nan 8.240 nan 0.000 0.436 142 V N 1.512 121.244 119.914 -0.304 0.000 2.358 142 V HA -0.070 4.050 4.120 -0.001 0.000 0.246 142 V C 2.381 178.413 176.094 -0.103 0.000 1.047 142 V CA 1.103 63.293 62.300 -0.182 0.000 1.035 142 V CB -0.700 31.053 31.823 -0.118 0.000 0.658 142 V HN 0.318 nan 8.190 nan 0.000 0.452 143 L N 0.670 121.841 121.223 -0.088 0.000 2.046 143 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 143 L C 2.535 179.380 176.870 -0.041 0.000 1.077 143 L CA 2.115 56.928 54.840 -0.045 0.000 0.747 143 L CB -0.823 41.219 42.059 -0.029 0.000 0.896 143 L HN 0.227 nan 8.230 nan 0.000 0.432 144 R N -0.942 119.504 120.500 -0.090 0.000 2.081 144 R HA -0.196 4.144 4.340 -0.001 0.000 0.235 144 R C 2.297 178.560 176.300 -0.062 0.000 1.131 144 R CA 1.977 57.970 56.100 -0.177 0.000 0.960 144 R CB -0.229 29.886 30.300 -0.309 0.000 0.856 144 R HN 0.566 nan 8.270 nan 0.000 0.436 145 Q N -0.441 119.365 119.800 0.009 0.000 2.079 145 Q HA -0.108 4.232 4.340 -0.001 0.000 0.200 145 Q C 2.151 178.173 176.000 0.038 0.000 0.974 145 Q CA 1.545 57.382 55.803 0.056 0.000 0.840 145 Q CB -0.090 28.685 28.738 0.062 0.000 0.898 145 Q HN 0.446 nan 8.270 nan 0.000 0.430 146 A N 0.996 123.829 122.820 0.021 0.000 1.883 146 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 146 A C 2.070 179.684 177.584 0.049 0.000 1.186 146 A CA 1.214 53.273 52.037 0.037 0.000 0.624 146 A CB -0.790 18.224 19.000 0.023 0.000 0.822 146 A HN 0.304 nan 8.150 nan 0.000 0.444 147 L N -0.615 120.634 121.223 0.043 0.000 2.079 147 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 147 L C 2.724 179.637 176.870 0.072 0.000 1.081 147 L CA 1.033 55.911 54.840 0.064 0.000 0.752 147 L CB -0.774 41.342 42.059 0.095 0.000 0.896 147 L HN 0.507 nan 8.230 nan 0.000 0.433 148 G N -0.872 107.965 108.800 0.061 0.000 2.498 148 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.219 148 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.219 148 G C 1.335 176.273 174.900 0.063 0.000 1.119 148 G CA 0.304 45.441 45.100 0.061 0.000 0.766 148 G HN 0.275 nan 8.290 nan 0.000 0.552 149 E N -0.026 120.216 120.200 0.068 0.000 2.463 149 E HA 0.130 4.480 4.350 -0.001 0.000 0.193 149 E C 0.739 177.401 176.600 0.102 0.000 1.041 149 E CA -0.335 56.109 56.400 0.074 0.000 0.879 149 E CB 0.152 29.898 29.700 0.077 0.000 0.997 149 E HN 0.378 nan 8.360 nan 0.000 0.478 150 R N 0.277 120.839 120.500 0.103 0.000 3.651 150 R HA -0.169 4.171 4.340 -0.001 0.000 0.292 150 R C -0.141 176.265 176.300 0.177 0.000 1.161 150 R CA 0.363 56.541 56.100 0.131 0.000 0.787 150 R CB -2.221 28.198 30.300 0.198 0.000 1.249 150 R HN 0.188 nan 8.270 nan 0.000 0.476 151 I N 1.195 121.840 120.570 0.125 0.000 2.474 151 I HA 0.100 4.269 4.170 -0.001 0.000 0.287 151 I C 0.912 177.081 176.117 0.088 0.000 1.048 151 I CA -0.161 61.211 61.300 0.120 0.000 1.383 151 I CB 1.045 39.099 38.000 0.089 0.000 1.412 151 I HN 0.013 nan 8.210 nan 0.000 0.531 152 K N 8.449 128.906 120.400 0.095 0.000 2.234 152 K HA 0.427 4.747 4.320 -0.001 0.000 0.282 152 K C -2.500 174.118 176.600 0.029 0.000 1.039 152 K CA -1.454 54.867 56.287 0.056 0.000 0.928 152 K CB 1.138 33.684 32.500 0.076 0.000 1.039 152 K HN 0.253 nan 8.250 nan 0.000 0.470 153 P HA 0.283 nan 4.420 nan 0.000 0.290 153 P C -1.223 176.037 177.300 -0.065 0.000 1.283 153 P CA -0.664 62.417 63.100 -0.032 0.000 0.869 153 P CB 1.907 33.581 31.700 -0.043 0.000 1.100 154 V N 1.822 121.684 119.914 -0.086 0.000 2.841 154 V HA 0.347 4.466 4.120 -0.001 0.000 0.310 154 V C -0.218 175.779 176.094 -0.163 0.000 1.090 154 V CA -0.741 61.479 62.300 -0.133 0.000 0.930 154 V CB 2.656 34.421 31.823 -0.097 0.000 1.014 154 V HN 0.285 nan 8.190 nan 0.000 0.425 155 V N 4.410 124.183 119.914 -0.234 0.000 2.715 155 V HA 0.664 4.783 4.120 -0.001 0.000 0.310 155 V C -0.685 175.195 176.094 -0.356 0.000 1.054 155 V CA -0.629 61.510 62.300 -0.269 0.000 0.928 155 V CB 2.249 33.892 31.823 -0.300 0.000 1.007 155 V HN 0.580 nan 8.190 nan 0.000 0.437 156 V N 4.961 124.680 119.914 -0.325 0.000 2.483 156 V HA 0.485 4.604 4.120 -0.001 0.000 0.297 156 V C -0.358 175.513 176.094 -0.371 0.000 1.027 156 V CA -0.397 61.671 62.300 -0.386 0.000 0.855 156 V CB 1.842 33.501 31.823 -0.272 0.000 0.995 156 V HN 0.671 nan 8.190 nan 0.000 0.424 157 I N 4.542 124.812 120.570 -0.499 0.000 2.291 157 I HA 0.311 4.481 4.170 -0.001 0.000 0.292 157 I C 0.237 176.195 176.117 -0.264 0.000 1.064 157 I CA -0.013 61.075 61.300 -0.352 0.000 1.269 157 I CB 0.823 38.580 38.000 -0.406 0.000 1.418 157 I HN 0.594 nan 8.210 nan 0.000 0.485 158 N N 4.688 123.269 118.700 -0.199 0.000 2.476 158 N HA 0.260 5.000 4.740 -0.001 0.000 0.276 158 N C -0.078 175.354 175.510 -0.130 0.000 1.204 158 N CA -0.313 52.628 53.050 -0.182 0.000 0.974 158 N CB 0.740 39.137 38.487 -0.149 0.000 1.204 158 N HN 0.272 nan 8.380 nan 0.000 0.543 159 K N -0.481 119.838 120.400 -0.134 0.000 3.117 159 K HA -0.118 4.202 4.320 -0.001 0.000 0.269 159 K C 0.581 177.167 176.600 -0.024 0.000 1.098 159 K CA 0.626 56.864 56.287 -0.081 0.000 0.785 159 K CB -1.975 30.484 32.500 -0.068 0.000 1.242 159 K HN 0.330 nan 8.250 nan 0.000 0.491 160 V N -0.035 119.869 119.914 -0.017 0.000 2.490 160 V HA -0.318 3.801 4.120 -0.001 0.000 0.250 160 V C 2.083 178.245 176.094 0.112 0.000 1.061 160 V CA 2.261 64.650 62.300 0.148 0.000 1.064 160 V CB -0.527 31.473 31.823 0.296 0.000 0.670 160 V HN 0.684 nan 8.190 nan 0.000 0.461 161 D N 0.784 121.230 120.400 0.077 0.000 2.158 161 D HA -0.313 4.327 4.640 -0.001 0.000 0.197 161 D C 2.134 178.454 176.300 0.032 0.000 0.995 161 D CA 1.717 55.753 54.000 0.060 0.000 0.846 161 D CB -0.444 40.263 40.800 -0.155 0.000 0.941 161 D HN 0.413 nan 8.370 nan 0.000 0.456 162 R N 0.694 121.207 120.500 0.021 0.000 2.081 162 R HA -0.118 4.222 4.340 -0.001 0.000 0.235 162 R C 2.237 178.544 176.300 0.011 0.000 1.131 162 R CA 1.501 57.615 56.100 0.022 0.000 0.960 162 R CB -0.392 29.917 30.300 0.015 0.000 0.856 162 R HN 0.298 nan 8.270 nan 0.000 0.436 163 A N 0.985 123.809 122.820 0.006 0.000 1.930 163 A HA -0.076 4.244 4.320 -0.001 0.000 0.217 163 A C 2.179 179.725 177.584 -0.063 0.000 1.175 163 A CA 1.084 53.115 52.037 -0.011 0.000 0.627 163 A CB -0.364 18.640 19.000 0.006 0.000 0.815 163 A HN 0.340 nan 8.150 nan 0.000 0.443 164 L N -1.337 119.804 121.223 -0.136 0.000 2.044 164 L HA -0.112 4.228 4.340 -0.001 0.000 0.205 164 L C 2.395 179.189 176.870 -0.125 0.000 1.075 164 L CA 0.616 55.277 54.840 -0.297 0.000 0.747 164 L CB -0.574 41.111 42.059 -0.624 0.000 0.903 164 L HN 0.266 nan 8.230 nan 0.000 0.435 165 L N -0.336 120.883 121.223 -0.007 0.000 2.013 165 L HA -0.064 4.275 4.340 -0.001 0.000 0.204 165 L C 2.474 179.366 176.870 0.037 0.000 1.081 165 L CA 1.530 56.406 54.840 0.059 0.000 0.751 165 L CB -0.910 41.221 42.059 0.120 0.000 0.901 165 L HN 0.133 nan 8.230 nan 0.000 0.440 166 E N -0.323 119.898 120.200 0.035 0.000 2.000 166 E HA -0.233 4.116 4.350 -0.001 0.000 0.199 166 E C 1.951 178.563 176.600 0.020 0.000 1.011 166 E CA 1.380 57.798 56.400 0.030 0.000 0.836 166 E CB -0.345 29.372 29.700 0.028 0.000 0.778 166 E HN 0.159 nan 8.360 nan 0.000 0.462 167 L N 0.760 121.990 121.223 0.012 0.000 2.465 167 L HA -0.068 4.272 4.340 -0.001 0.000 0.224 167 L C 0.502 177.378 176.870 0.010 0.000 1.145 167 L CA 0.969 55.815 54.840 0.011 0.000 0.834 167 L CB -0.677 41.387 42.059 0.008 0.000 0.944 167 L HN 0.159 nan 8.230 nan 0.000 0.451 168 Q N -0.799 118.999 119.800 -0.004 0.000 2.434 168 Q HA -0.192 4.147 4.340 -0.001 0.000 0.299 168 Q C -0.076 175.939 176.000 0.026 0.000 1.286 168 Q CA 0.004 55.804 55.803 -0.004 0.000 0.872 168 Q CB -2.050 26.698 28.738 0.017 0.000 1.193 168 Q HN 0.279 nan 8.270 nan 0.000 0.466 169 V N 0.852 120.781 119.914 0.025 0.000 3.139 169 V HA 0.103 4.222 4.120 -0.001 0.000 0.307 169 V C 1.193 177.398 176.094 0.184 0.000 1.095 169 V CA 0.516 62.858 62.300 0.071 0.000 1.160 169 V CB 1.411 33.263 31.823 0.047 0.000 1.003 169 V HN 0.518 nan 8.190 nan 0.000 0.489 170 S N 2.874 118.659 115.700 0.142 0.000 2.632 170 S HA 0.325 4.794 4.470 -0.001 0.000 0.267 170 S C 0.754 175.392 174.600 0.063 0.000 1.276 170 S CA -0.612 57.667 58.200 0.131 0.000 0.998 170 S CB 0.963 64.184 63.200 0.034 0.000 0.953 170 S HN 0.616 nan 8.310 nan 0.000 0.547 171 K N 0.430 120.698 120.400 -0.220 0.000 2.063 171 K HA -0.149 4.171 4.320 -0.001 0.000 0.208 171 K C 2.076 178.609 176.600 -0.112 0.000 1.048 171 K CA 1.734 57.775 56.287 -0.410 0.000 0.928 171 K CB -0.273 31.828 32.500 -0.666 0.000 0.713 171 K HN 0.736 nan 8.250 nan 0.000 0.442 172 E N 1.395 121.555 120.200 -0.068 0.000 2.106 172 E HA -0.166 4.183 4.350 -0.001 0.000 0.192 172 E C 1.364 178.002 176.600 0.063 0.000 0.984 172 E CA 1.448 57.862 56.400 0.024 0.000 0.806 172 E CB -0.047 29.654 29.700 0.001 0.000 0.750 172 E HN 0.178 nan 8.360 nan 0.000 0.458 173 D N -0.131 120.281 120.400 0.019 0.000 2.144 173 D HA -0.139 4.501 4.640 -0.001 0.000 0.200 173 D C 1.911 178.179 176.300 -0.053 0.000 0.978 173 D CA 0.684 54.685 54.000 0.001 0.000 0.833 173 D CB -0.200 40.603 40.800 0.006 0.000 0.961 173 D HN 0.211 nan 8.370 nan 0.000 0.470 174 L N 0.360 121.540 121.223 -0.072 0.000 2.027 174 L HA -0.174 4.165 4.340 -0.001 0.000 0.206 174 L C 2.303 178.901 176.870 -0.454 0.000 1.074 174 L CA 1.479 56.151 54.840 -0.281 0.000 0.745 174 L CB -1.018 40.938 42.059 -0.171 0.000 0.898 174 L HN 0.012 nan 8.230 nan 0.000 0.433 175 Y N 0.025 120.195 120.300 -0.217 0.000 2.097 175 Y HA -0.308 4.242 4.550 -0.001 0.000 0.282 175 Y C 2.534 178.382 175.900 -0.086 0.000 1.152 175 Y CA 2.188 60.230 58.100 -0.096 0.000 1.136 175 Y CB -0.383 38.048 38.460 -0.049 0.000 0.975 175 Y HN 0.306 nan 8.280 nan 0.000 0.498 176 Q N -0.260 119.419 119.800 -0.200 0.000 2.096 176 Q HA -0.162 4.177 4.340 -0.001 0.000 0.204 176 Q C 2.262 178.160 176.000 -0.170 0.000 0.982 176 Q CA 2.172 57.841 55.803 -0.223 0.000 0.850 176 Q CB -0.939 27.777 28.738 -0.036 0.000 0.901 176 Q HN 0.537 nan 8.270 nan 0.000 0.422 177 T N 1.201 115.673 114.554 -0.136 0.000 2.708 177 T HA -0.104 4.245 4.350 -0.001 0.000 0.266 177 T C 1.566 176.323 174.700 0.095 0.000 1.037 177 T CA 1.016 63.087 62.100 -0.049 0.000 1.146 177 T CB -0.270 68.551 68.868 -0.078 0.000 0.865 177 T HN 0.104 nan 8.240 nan 0.000 0.435 178 F N 1.902 121.867 119.950 0.025 0.000 2.095 178 F HA -0.004 4.522 4.527 -0.000 0.000 0.298 178 F C 2.754 178.600 175.800 0.077 0.000 1.104 178 F CA 0.324 58.404 58.000 0.134 0.000 1.232 178 F CB -1.553 37.636 39.000 0.316 0.000 0.987 178 F HN 0.162 nan 8.300 nan 0.000 0.475 179 A N 0.105 122.985 122.820 0.100 0.000 1.908 179 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 179 A C 2.417 180.027 177.584 0.044 0.000 1.181 179 A CA 1.596 53.654 52.037 0.036 0.000 0.627 179 A CB -0.656 18.148 19.000 -0.326 0.000 0.818 179 A HN 0.313 nan 8.150 nan 0.000 0.445 180 R N -1.121 119.386 120.500 0.012 0.000 2.075 180 R HA -0.079 4.261 4.340 -0.001 0.000 0.232 180 R C 2.265 178.584 176.300 0.032 0.000 1.126 180 R CA 1.743 57.854 56.100 0.019 0.000 0.963 180 R CB -0.794 29.512 30.300 0.010 0.000 0.858 180 R HN 0.516 nan 8.270 nan 0.000 0.435 181 T N 0.916 115.505 114.554 0.058 0.000 2.746 181 T HA -0.093 4.256 4.350 -0.001 0.000 0.267 181 T C 1.990 176.687 174.700 -0.006 0.000 1.039 181 T CA 1.244 63.366 62.100 0.036 0.000 1.142 181 T CB -0.128 68.782 68.868 0.070 0.000 0.866 181 T HN -0.002 nan 8.240 nan 0.000 0.444 182 V N 1.385 121.300 119.914 0.001 0.000 2.407 182 V HA -0.107 4.013 4.120 -0.001 0.000 0.248 182 V C 2.714 178.771 176.094 -0.062 0.000 1.055 182 V CA 1.429 63.689 62.300 -0.066 0.000 1.049 182 V CB -0.453 31.338 31.823 -0.053 0.000 0.662 182 V HN 0.376 nan 8.190 nan 0.000 0.455 183 E N 0.342 120.534 120.200 -0.014 0.000 2.072 183 E HA -0.141 4.209 4.350 -0.001 0.000 0.191 183 E C 2.499 179.086 176.600 -0.021 0.000 0.985 183 E CA 1.540 57.932 56.400 -0.014 0.000 0.801 183 E CB -0.205 29.502 29.700 0.012 0.000 0.750 183 E HN 0.585 nan 8.360 nan 0.000 0.452 184 S N 0.163 115.856 115.700 -0.011 0.000 2.382 184 S HA -0.119 4.350 4.470 -0.001 0.000 0.228 184 S C 2.177 176.768 174.600 -0.014 0.000 1.027 184 S CA 1.088 59.285 58.200 -0.005 0.000 0.991 184 S CB -0.190 63.013 63.200 0.004 0.000 0.823 184 S HN 0.079 nan 8.310 nan 0.000 0.469 185 V N 2.918 122.809 119.914 -0.038 0.000 2.358 185 V HA -0.129 3.991 4.120 -0.001 0.000 0.246 185 V C 1.962 178.021 176.094 -0.058 0.000 1.047 185 V CA 1.445 63.714 62.300 -0.052 0.000 1.035 185 V CB -0.651 31.115 31.823 -0.096 0.000 0.658 185 V HN 0.448 nan 8.190 nan 0.000 0.452 186 N N -0.120 118.528 118.700 -0.086 0.000 2.459 186 N HA -0.060 4.680 4.740 -0.001 0.000 0.181 186 N C 1.668 177.146 175.510 -0.053 0.000 1.046 186 N CA 0.769 53.759 53.050 -0.100 0.000 0.904 186 N CB -0.011 38.382 38.487 -0.157 0.000 0.964 186 N HN 0.341 nan 8.380 nan 0.000 0.444 187 V N 1.517 121.414 119.914 -0.029 0.000 2.307 187 V HA -0.144 3.976 4.120 -0.001 0.000 0.245 187 V C 2.215 178.306 176.094 -0.004 0.000 1.045 187 V CA 1.142 63.431 62.300 -0.018 0.000 1.024 187 V CB -0.267 31.555 31.823 -0.003 0.000 0.651 187 V HN 0.183 nan 8.190 nan 0.000 0.449 188 I N -0.509 120.086 120.570 0.041 0.000 2.179 188 I HA -0.205 3.965 4.170 -0.001 0.000 0.242 188 I C 2.368 178.573 176.117 0.147 0.000 1.088 188 I CA 1.223 62.608 61.300 0.141 0.000 1.357 188 I CB -0.482 37.603 38.000 0.141 0.000 1.051 188 I HN 0.135 nan 8.210 nan 0.000 0.409 189 V N 0.975 120.923 119.914 0.057 0.000 2.295 189 V HA -0.272 3.848 4.120 -0.001 0.000 0.246 189 V C 2.650 178.750 176.094 0.010 0.000 1.049 189 V CA 2.308 64.630 62.300 0.036 0.000 1.024 189 V CB -0.839 30.968 31.823 -0.027 0.000 0.648 189 V HN 0.608 nan 8.190 nan 0.000 0.447 190 S N -0.827 114.856 115.700 -0.028 0.000 2.442 190 S HA -0.194 4.276 4.470 -0.001 0.000 0.236 190 S C 1.820 176.368 174.600 -0.087 0.000 1.007 190 S CA 1.796 59.969 58.200 -0.045 0.000 0.965 190 S CB -0.606 62.569 63.200 -0.043 0.000 0.773 190 S HN 0.592 nan 8.310 nan 0.000 0.504 191 T N 0.532 114.996 114.554 -0.149 0.000 2.851 191 T HA 0.119 4.468 4.350 -0.001 0.000 0.262 191 T C 0.845 175.255 174.700 -0.483 0.000 1.043 191 T CA 1.060 62.940 62.100 -0.367 0.000 1.140 191 T CB -0.312 68.209 68.868 -0.580 0.000 0.872 191 T HN 0.602 nan 8.240 nan 0.000 0.446 192 Y N 0.827 121.126 120.300 -0.001 0.000 2.449 192 Y HA 0.615 5.164 4.550 -0.001 0.000 0.254 192 Y C 1.144 177.045 175.900 0.001 0.000 1.140 192 Y CA -1.151 56.952 58.100 0.004 0.000 1.272 192 Y CB 0.006 38.478 38.460 0.020 0.000 1.114 192 Y HN 0.087 nan 8.280 nan 0.000 0.525 193 A N 0.358 123.236 122.820 0.096 0.000 2.388 193 A HA 0.275 4.595 4.320 -0.001 0.000 0.257 193 A C -0.505 177.092 177.584 0.021 0.000 1.095 193 A CA -0.543 51.524 52.037 0.051 0.000 0.791 193 A CB -0.037 18.974 19.000 0.018 0.000 1.029 193 A HN 0.190 nan 8.150 nan 0.000 0.489 194 D N 1.370 121.776 120.400 0.010 0.000 2.424 194 D HA 0.220 4.859 4.640 -0.001 0.000 0.244 194 D C 1.101 177.387 176.300 -0.023 0.000 1.134 194 D CA 0.248 54.247 54.000 -0.002 0.000 0.881 194 D CB 0.765 41.563 40.800 -0.004 0.000 1.191 194 D HN 0.654 nan 8.370 nan 0.000 0.445 195 E N 0.859 121.050 120.200 -0.016 0.000 2.085 195 E HA -0.156 4.193 4.350 -0.001 0.000 0.194 195 E C 1.927 178.510 176.600 -0.028 0.000 0.994 195 E CA 0.747 57.136 56.400 -0.019 0.000 0.801 195 E CB 0.027 29.721 29.700 -0.010 0.000 0.743 195 E HN 0.244 nan 8.360 nan 0.000 0.453 196 V N 1.300 121.197 119.914 -0.028 0.000 2.527 196 V HA -0.257 3.862 4.120 -0.001 0.000 0.255 196 V C 1.988 178.036 176.094 -0.075 0.000 1.081 196 V CA 1.337 63.617 62.300 -0.034 0.000 1.092 196 V CB -0.461 31.352 31.823 -0.017 0.000 0.673 196 V HN 0.209 nan 8.190 nan 0.000 0.470 197 L N -0.263 120.889 121.223 -0.117 0.000 2.395 197 L HA 0.350 4.690 4.340 -0.001 0.000 0.218 197 L C 1.432 178.232 176.870 -0.116 0.000 1.130 197 L CA 1.474 56.196 54.840 -0.196 0.000 0.826 197 L CB -1.266 40.646 42.059 -0.246 0.000 0.941 197 L HN 0.513 nan 8.230 nan 0.000 0.451 198 G N -0.695 108.068 108.800 -0.062 0.000 2.568 198 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.222 198 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.222 198 G C -0.573 174.319 174.900 -0.013 0.000 1.321 198 G CA -0.188 44.895 45.100 -0.029 0.000 0.893 198 G HN 0.167 nan 8.290 nan 0.000 0.569 199 D N -0.041 120.368 120.400 0.015 0.000 2.338 199 D HA 0.385 5.025 4.640 -0.001 0.000 0.255 199 D C 1.034 177.364 176.300 0.050 0.000 1.237 199 D CA 0.620 54.651 54.000 0.051 0.000 0.883 199 D CB 1.292 42.154 40.800 0.103 0.000 1.087 199 D HN 0.872 nan 8.370 nan 0.000 0.485 200 V N 4.138 124.063 119.914 0.017 0.000 3.621 200 V HA 0.119 4.238 4.120 -0.001 0.000 0.285 200 V C 0.746 176.820 176.094 -0.033 0.000 1.346 200 V CA 0.123 62.420 62.300 -0.004 0.000 1.104 200 V CB -0.381 31.428 31.823 -0.025 0.000 0.913 200 V HN 0.528 nan 8.190 nan 0.000 0.432 201 Q N 0.373 120.144 119.800 -0.048 0.000 2.479 201 Q HA 0.229 4.569 4.340 -0.001 0.000 0.267 201 Q C -0.446 175.346 176.000 -0.347 0.000 1.071 201 Q CA 0.197 55.869 55.803 -0.218 0.000 0.935 201 Q CB 1.413 29.962 28.738 -0.314 0.000 1.295 201 Q HN 0.355 nan 8.270 nan 0.000 0.476 202 V N 2.137 121.771 119.914 -0.467 0.000 2.539 202 V HA 0.286 4.406 4.120 -0.001 0.000 0.292 202 V C -1.054 174.643 176.094 -0.663 0.000 1.045 202 V CA -0.454 61.591 62.300 -0.426 0.000 0.945 202 V CB 0.602 32.233 31.823 -0.320 0.000 0.993 202 V HN 0.566 nan 8.190 nan 0.000 0.464 203 Y N 4.228 124.397 120.300 -0.218 0.000 2.329 203 Y HA 0.364 4.914 4.550 -0.001 0.000 0.328 203 Y C -1.971 173.725 175.900 -0.340 0.000 0.992 203 Y CA -1.995 55.969 58.100 -0.226 0.000 1.151 203 Y CB 1.991 40.373 38.460 -0.129 0.000 1.150 203 Y HN 0.420 nan 8.280 nan 0.000 0.450 204 P HA -0.245 nan 4.420 nan 0.000 0.216 204 P C 1.303 178.457 177.300 -0.243 0.000 1.153 204 P CA 2.437 65.206 63.100 -0.552 0.000 0.858 204 P CB 0.320 31.163 31.700 -1.429 0.000 0.789 205 A N -0.544 122.177 122.820 -0.165 0.000 2.125 205 A HA -0.143 4.177 4.320 -0.001 0.000 0.219 205 A C 1.941 179.549 177.584 0.040 0.000 1.156 205 A CA 1.201 53.274 52.037 0.060 0.000 0.671 205 A CB -0.846 18.256 19.000 0.170 0.000 0.794 205 A HN 0.159 nan 8.150 nan 0.000 0.459 206 R N -1.688 118.814 120.500 0.003 0.000 2.362 206 R HA 0.267 4.606 4.340 -0.001 0.000 0.227 206 R C 1.111 177.386 176.300 -0.041 0.000 0.905 206 R CA 0.473 56.572 56.100 -0.001 0.000 1.067 206 R CB 0.186 30.480 30.300 -0.011 0.000 1.078 206 R HN 0.593 nan 8.270 nan 0.000 0.516 207 G N 1.281 110.045 108.800 -0.059 0.000 2.143 207 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.249 207 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.249 207 G C 0.715 175.453 174.900 -0.271 0.000 0.981 207 G CA 0.773 45.843 45.100 -0.050 0.000 0.665 207 G HN 0.425 nan 8.290 nan 0.000 0.528 208 T N -2.457 111.857 114.554 -0.401 0.000 3.145 208 T HA 0.587 4.936 4.350 -0.001 0.000 0.255 208 T C 0.284 174.768 174.700 -0.360 0.000 1.039 208 T CA 0.336 62.174 62.100 -0.437 0.000 0.928 208 T CB 1.061 69.661 68.868 -0.448 0.000 1.029 208 T HN 0.809 nan 8.240 nan 0.000 0.554 209 V N 1.143 120.817 119.914 -0.400 0.000 2.577 209 V HA 0.823 4.943 4.120 -0.001 0.000 0.303 209 V C -0.142 175.511 176.094 -0.734 0.000 1.042 209 V CA -1.199 60.739 62.300 -0.603 0.000 0.872 209 V CB 1.397 32.766 31.823 -0.756 0.000 0.998 209 V HN 0.588 nan 8.190 nan 0.000 0.423 210 A N 4.219 126.550 122.820 -0.816 0.000 2.322 210 A HA 1.022 5.342 4.320 -0.001 0.000 0.327 210 A C -1.324 175.550 177.584 -1.184 0.000 1.134 210 A CA -0.474 51.117 52.037 -0.742 0.000 0.831 210 A CB 1.269 20.032 19.000 -0.394 0.000 1.288 210 A HN 0.662 nan 8.150 nan 0.000 0.472 211 F N -0.265 119.232 119.950 -0.755 0.000 2.561 211 F HA 0.704 5.231 4.527 -0.000 0.000 0.313 211 F C 0.663 176.073 175.800 -0.651 0.000 1.126 211 F CA 0.259 57.772 58.000 -0.812 0.000 0.918 211 F CB 2.646 40.997 39.000 -1.082 0.000 1.199 211 F HN 1.026 nan 8.300 nan 0.000 0.444 212 G N 0.452 109.006 108.800 -0.410 0.000 2.428 212 G HA2 0.455 4.414 3.960 -0.001 0.000 0.305 212 G HA3 0.455 4.414 3.960 -0.001 0.000 0.305 212 G C -1.873 172.522 174.900 -0.841 0.000 1.260 212 G CA -0.764 43.843 45.100 -0.822 0.000 0.853 212 G HN 0.634 nan 8.290 nan 0.000 0.480 213 S N -0.679 114.365 115.700 -1.093 0.000 2.789 213 S HA 0.544 5.014 4.470 -0.001 0.000 0.286 213 S C 1.301 175.706 174.600 -0.325 0.000 1.153 213 S CA 0.717 58.551 58.200 -0.610 0.000 1.084 213 S CB 0.769 63.625 63.200 -0.573 0.000 1.036 213 S HN 1.708 nan 8.310 nan 0.000 0.484 214 G N 3.771 112.463 108.800 -0.179 0.000 2.491 214 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.218 214 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.218 214 G C 1.217 176.120 174.900 0.006 0.000 1.180 214 G CA 1.175 46.229 45.100 -0.078 0.000 0.774 214 G HN 0.655 nan 8.290 nan 0.000 0.562 215 L N -0.027 121.222 121.223 0.044 0.000 2.012 215 L HA -0.039 4.301 4.340 -0.001 0.000 0.210 215 L C 2.600 179.580 176.870 0.183 0.000 1.073 215 L CA 2.184 57.087 54.840 0.105 0.000 0.748 215 L CB -0.802 41.331 42.059 0.123 0.000 0.891 215 L HN 0.308 nan 8.230 nan 0.000 0.431 216 H N -0.088 119.034 119.070 0.086 0.000 2.319 216 H HA 0.085 4.641 4.556 -0.001 0.000 0.299 216 H C 1.493 176.947 175.328 0.209 0.000 1.092 216 H CA 1.258 57.428 56.048 0.204 0.000 1.302 216 H CB -0.327 29.685 29.762 0.416 0.000 1.373 216 H HN 0.477 nan 8.280 nan 0.000 0.497 217 G N -1.749 107.201 108.800 0.249 0.000 2.145 217 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.176 217 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.176 217 G C -0.225 174.847 174.900 0.287 0.000 1.013 217 G CA 0.105 45.320 45.100 0.191 0.000 0.689 217 G HN 0.484 nan 8.290 nan 0.000 0.506 218 W N -0.858 120.552 121.300 0.183 0.000 3.033 218 W HA 0.869 5.529 4.660 -0.001 0.000 0.336 218 W C -0.323 176.301 176.519 0.175 0.000 1.173 218 W CA -1.387 56.070 57.345 0.186 0.000 1.185 218 W CB 1.401 31.019 29.460 0.263 0.000 1.425 218 W HN 1.235 nan 8.180 nan 0.000 0.536 219 A N 2.490 125.524 122.820 0.356 0.000 2.583 219 A HA 0.818 5.138 4.320 -0.001 0.000 0.292 219 A C -2.101 175.695 177.584 0.354 0.000 1.045 219 A CA -0.709 51.419 52.037 0.150 0.000 0.672 219 A CB 1.182 20.132 19.000 -0.084 0.000 1.283 219 A HN 1.252 nan 8.150 nan 0.000 0.419 220 F N -0.961 119.138 119.950 0.249 0.000 2.686 220 F HA 0.893 5.420 4.527 -0.001 0.000 0.311 220 F C -0.206 175.759 175.800 0.275 0.000 1.128 220 F CA -0.136 58.005 58.000 0.235 0.000 0.946 220 F CB 1.272 40.495 39.000 0.373 0.000 1.336 220 F HN 0.966 nan 8.300 nan 0.000 0.457 221 T N -0.631 114.200 114.554 0.462 0.000 2.942 221 T HA 0.478 4.828 4.350 -0.001 0.000 0.289 221 T C 0.634 175.704 174.700 0.616 0.000 1.044 221 T CA -0.815 61.500 62.100 0.358 0.000 1.023 221 T CB 1.557 70.513 68.868 0.148 0.000 1.123 221 T HN 0.642 nan 8.240 nan 0.000 0.512 222 I N 0.302 121.180 120.570 0.514 0.000 2.394 222 I HA -0.036 4.134 4.170 -0.001 0.000 0.251 222 I C 2.631 178.939 176.117 0.319 0.000 1.136 222 I CA 1.156 62.756 61.300 0.500 0.000 1.425 222 I CB -1.081 37.150 38.000 0.385 0.000 1.079 222 I HN 0.817 nan 8.210 nan 0.000 0.425 223 R N 1.048 121.677 120.500 0.215 0.000 2.096 223 R HA -0.195 4.145 4.340 -0.001 0.000 0.235 223 R C 2.224 178.568 176.300 0.073 0.000 1.127 223 R CA 1.437 57.612 56.100 0.125 0.000 0.968 223 R CB -0.012 30.347 30.300 0.099 0.000 0.861 223 R HN 0.437 nan 8.270 nan 0.000 0.440 224 Q N -0.863 118.975 119.800 0.063 0.000 2.084 224 Q HA -0.163 4.176 4.340 -0.001 0.000 0.202 224 Q C 1.843 177.696 176.000 -0.244 0.000 0.978 224 Q CA 1.631 57.377 55.803 -0.094 0.000 0.844 224 Q CB -0.066 28.590 28.738 -0.136 0.000 0.898 224 Q HN 0.316 nan 8.270 nan 0.000 0.426 225 F N 0.163 120.043 119.950 -0.118 0.000 2.259 225 F HA -0.049 4.477 4.527 -0.001 0.000 0.298 225 F C 2.276 177.869 175.800 -0.346 0.000 1.088 225 F CA 0.879 58.655 58.000 -0.373 0.000 1.358 225 F CB -0.373 38.435 39.000 -0.319 0.000 1.040 225 F HN 0.041 nan 8.300 nan 0.000 0.505 226 A N -0.702 122.154 122.820 0.060 0.000 1.933 226 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 226 A C 2.243 179.837 177.584 0.018 0.000 1.175 226 A CA 2.248 54.319 52.037 0.058 0.000 0.628 226 A CB -1.216 17.827 19.000 0.073 0.000 0.814 226 A HN 0.316 nan 8.150 nan 0.000 0.444 227 T N -0.963 113.577 114.554 -0.023 0.000 2.777 227 T HA -0.104 4.246 4.350 -0.001 0.000 0.266 227 T C 2.052 176.731 174.700 -0.035 0.000 1.040 227 T CA 1.360 63.445 62.100 -0.025 0.000 1.141 227 T CB -0.198 68.643 68.868 -0.044 0.000 0.868 227 T HN 0.547 nan 8.240 nan 0.000 0.444 228 R N -0.367 120.052 120.500 -0.136 0.000 2.148 228 R HA -0.080 4.260 4.340 -0.001 0.000 0.227 228 R C 1.065 177.420 176.300 0.092 0.000 1.103 228 R CA 1.284 57.302 56.100 -0.136 0.000 0.983 228 R CB -0.003 30.064 30.300 -0.389 0.000 0.874 228 R HN 0.421 nan 8.270 nan 0.000 0.451 229 Y N -1.691 118.689 120.300 0.134 0.000 2.453 229 Y HA 0.404 4.953 4.550 -0.001 0.000 0.247 229 Y C 1.768 177.776 175.900 0.180 0.000 1.124 229 Y CA -0.581 57.626 58.100 0.179 0.000 1.243 229 Y CB -0.269 38.343 38.460 0.254 0.000 1.213 229 Y HN 0.049 nan 8.280 nan 0.000 0.523 230 A N 1.107 124.063 122.820 0.226 0.000 1.892 230 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 230 A C 2.215 179.883 177.584 0.141 0.000 1.188 230 A CA 2.029 54.151 52.037 0.142 0.000 0.631 230 A CB -0.413 18.628 19.000 0.068 0.000 0.822 230 A HN 0.348 nan 8.150 nan 0.000 0.447 231 K N -0.444 120.025 120.400 0.114 0.000 2.148 231 K HA -0.076 4.244 4.320 -0.001 0.000 0.204 231 K C 1.980 178.618 176.600 0.064 0.000 1.050 231 K CA 1.310 57.644 56.287 0.078 0.000 0.942 231 K CB -0.123 32.411 32.500 0.057 0.000 0.724 231 K HN 0.443 nan 8.250 nan 0.000 0.446 232 K N -0.128 120.316 120.400 0.074 0.000 2.148 232 K HA -0.058 4.261 4.320 -0.001 0.000 0.204 232 K C 1.438 177.925 176.600 -0.188 0.000 1.050 232 K CA 1.081 57.330 56.287 -0.064 0.000 0.942 232 K CB 0.019 32.458 32.500 -0.103 0.000 0.724 232 K HN 0.046 nan 8.250 nan 0.000 0.446 233 F N 0.137 120.067 119.950 -0.033 0.000 2.765 233 F HA 0.180 4.707 4.527 -0.001 0.000 0.302 233 F C 1.134 176.935 175.800 0.002 0.000 1.111 233 F CA 0.261 58.238 58.000 -0.038 0.000 1.359 233 F CB 0.663 39.623 39.000 -0.066 0.000 1.097 233 F HN 0.115 nan 8.300 nan 0.000 0.577 234 G N 1.520 110.403 108.800 0.138 0.000 2.295 234 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.287 234 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.287 234 G C -0.392 174.561 174.900 0.089 0.000 1.055 234 G CA 0.309 45.466 45.100 0.094 0.000 0.922 234 G HN 0.212 nan 8.290 nan 0.000 0.503 235 V N -0.357 119.606 119.914 0.081 0.000 3.078 235 V HA 0.579 4.698 4.120 -0.001 0.000 0.311 235 V C 0.014 176.112 176.094 0.008 0.000 1.138 235 V CA -0.559 61.754 62.300 0.022 0.000 1.007 235 V CB 2.249 34.047 31.823 -0.042 0.000 1.045 235 V HN 0.564 nan 8.190 nan 0.000 0.432 236 D N 1.065 121.458 120.400 -0.012 0.000 2.382 236 D HA 0.154 4.794 4.640 -0.001 0.000 0.245 236 D C 1.021 177.308 176.300 -0.022 0.000 1.120 236 D CA -0.469 53.526 54.000 -0.008 0.000 0.890 236 D CB 0.742 41.536 40.800 -0.010 0.000 1.201 236 D HN 0.685 nan 8.370 nan 0.000 0.433 237 K N 1.519 121.916 120.400 -0.005 0.000 2.281 237 K HA -0.229 4.090 4.320 -0.001 0.000 0.203 237 K C 1.762 178.353 176.600 -0.014 0.000 1.046 237 K CA 1.100 57.384 56.287 -0.004 0.000 0.938 237 K CB -0.354 32.154 32.500 0.012 0.000 0.737 237 K HN 0.408 nan 8.250 nan 0.000 0.458 238 A N 2.134 124.945 122.820 -0.016 0.000 1.902 238 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 238 A C 2.201 179.761 177.584 -0.041 0.000 1.181 238 A CA 1.933 53.960 52.037 -0.016 0.000 0.623 238 A CB -0.438 18.553 19.000 -0.014 0.000 0.818 238 A HN 0.301 nan 8.150 nan 0.000 0.443 239 K N -1.042 119.315 120.400 -0.072 0.000 2.097 239 K HA -0.006 4.314 4.320 -0.001 0.000 0.205 239 K C 1.921 178.402 176.600 -0.198 0.000 1.050 239 K CA 1.391 57.599 56.287 -0.130 0.000 0.938 239 K CB -0.310 32.098 32.500 -0.153 0.000 0.718 239 K HN 0.300 nan 8.250 nan 0.000 0.442 240 M N 0.723 120.216 119.600 -0.179 0.000 2.117 240 M HA -0.095 4.385 4.480 -0.001 0.000 0.262 240 M C 2.029 178.279 176.300 -0.084 0.000 1.065 240 M CA 1.660 56.834 55.300 -0.210 0.000 1.114 240 M CB -0.879 31.654 32.600 -0.112 0.000 1.361 240 M HN 0.348 nan 8.290 nan 0.000 0.408 241 M N -1.952 117.646 119.600 -0.004 0.000 2.374 241 M HA -0.112 4.368 4.480 -0.001 0.000 0.264 241 M C 0.896 177.256 176.300 0.099 0.000 1.067 241 M CA 1.421 56.770 55.300 0.081 0.000 1.103 241 M CB -0.852 31.804 32.600 0.093 0.000 1.402 241 M HN 0.031 nan 8.290 nan 0.000 0.444 242 D N 1.441 121.859 120.400 0.030 0.000 2.194 242 D HA -0.023 4.617 4.640 -0.001 0.000 0.204 242 D C 2.022 178.353 176.300 0.053 0.000 0.964 242 D CA 0.961 54.994 54.000 0.055 0.000 0.846 242 D CB -0.112 40.690 40.800 0.002 0.000 0.962 242 D HN 0.511 nan 8.370 nan 0.000 0.490 243 R N 0.014 120.477 120.500 -0.061 0.000 2.240 243 R HA 0.163 4.502 4.340 -0.001 0.000 0.203 243 R C 1.787 178.149 176.300 0.103 0.000 1.011 243 R CA 0.134 56.177 56.100 -0.095 0.000 1.007 243 R CB 0.190 30.123 30.300 -0.613 0.000 0.911 243 R HN 0.137 nan 8.270 nan 0.000 0.468 244 L N -0.138 121.191 121.223 0.177 0.000 2.612 244 L HA 0.158 4.498 4.340 -0.001 0.000 0.230 244 L C 0.189 177.373 176.870 0.523 0.000 1.140 244 L CA -0.119 54.925 54.840 0.339 0.000 0.896 244 L CB 0.060 42.321 42.059 0.337 0.000 1.065 244 L HN 0.248 nan 8.230 nan 0.000 0.447 245 W N -0.079 121.320 121.300 0.165 0.000 3.107 245 W HA 0.444 5.104 4.660 -0.000 0.000 0.331 245 W C 0.373 176.918 176.519 0.044 0.000 1.204 245 W CA 0.208 57.622 57.345 0.115 0.000 1.184 245 W CB 1.725 31.265 29.460 0.133 0.000 1.421 245 W HN 0.069 nan 8.180 nan 0.000 0.544 246 G N 3.309 111.466 108.800 -1.072 0.000 2.562 246 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.250 246 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.250 246 G C -0.458 174.158 174.900 -0.474 0.000 1.269 246 G CA 0.270 44.990 45.100 -0.633 0.000 0.919 246 G HN 0.491 nan 8.290 nan 0.000 0.574 247 D N 1.702 121.971 120.400 -0.218 0.000 2.688 247 D HA 0.484 5.123 4.640 -0.001 0.000 0.228 247 D C 0.026 176.264 176.300 -0.103 0.000 1.116 247 D CA 0.628 54.542 54.000 -0.143 0.000 1.023 247 D CB 0.250 41.159 40.800 0.182 0.000 1.100 247 D HN 0.420 nan 8.370 nan 0.000 0.487 248 S N 0.756 116.204 115.700 -0.419 0.000 2.532 248 S HA 0.594 5.064 4.470 -0.001 0.000 0.299 248 S C -0.648 173.748 174.600 -0.340 0.000 1.105 248 S CA -0.633 57.530 58.200 -0.061 0.000 1.018 248 S CB 1.023 64.288 63.200 0.108 0.000 1.021 248 S HN 0.112 nan 8.310 nan 0.000 0.483 249 F N 2.418 122.490 119.950 0.204 0.000 2.539 249 F HA 0.498 5.025 4.527 -0.001 0.000 0.318 249 F C -0.609 175.193 175.800 0.004 0.000 1.135 249 F CA -0.915 57.133 58.000 0.080 0.000 0.915 249 F CB 1.224 40.213 39.000 -0.018 0.000 1.176 249 F HN 0.525 nan 8.300 nan 0.000 0.440 250 F N 4.394 124.210 119.950 -0.224 0.000 2.385 250 F HA 0.421 4.948 4.527 -0.001 0.000 0.360 250 F C -0.216 175.410 175.800 -0.290 0.000 1.122 250 F CA -0.716 56.888 58.000 -0.660 0.000 1.090 250 F CB 0.557 38.896 39.000 -1.101 0.000 1.150 250 F HN 0.388 nan 8.300 nan 0.000 0.472 251 N N 8.500 126.704 118.700 -0.827 0.000 2.437 251 N HA 0.286 5.026 4.740 -0.001 0.000 0.243 251 N C -2.126 172.882 175.510 -0.837 0.000 1.041 251 N CA -2.364 50.334 53.050 -0.586 0.000 0.940 251 N CB 1.621 39.888 38.487 -0.366 0.000 1.133 251 N HN 0.307 nan 8.380 nan 0.000 0.506 252 P HA -0.116 nan 4.420 nan 0.000 0.218 252 P C 0.713 177.882 177.300 -0.219 0.000 1.148 252 P CA 1.487 64.416 63.100 -0.285 0.000 0.822 252 P CB 0.409 32.084 31.700 -0.041 0.000 0.784 253 K N -0.979 119.300 120.400 -0.202 0.000 2.097 253 K HA -0.065 4.254 4.320 -0.001 0.000 0.205 253 K C 1.898 178.413 176.600 -0.141 0.000 1.050 253 K CA 1.955 58.160 56.287 -0.136 0.000 0.938 253 K CB -0.669 31.762 32.500 -0.116 0.000 0.718 253 K HN 0.317 nan 8.250 nan 0.000 0.442 254 T N -2.404 112.026 114.554 -0.208 0.000 3.022 254 T HA 0.137 4.487 4.350 -0.001 0.000 0.250 254 T C 0.493 175.087 174.700 -0.176 0.000 1.060 254 T CA -0.307 61.695 62.100 -0.164 0.000 1.013 254 T CB 0.288 69.065 68.868 -0.153 0.000 0.982 254 T HN -0.071 nan 8.240 nan 0.000 0.508 255 K N 0.392 120.594 120.400 -0.330 0.000 3.209 255 K HA -0.116 4.203 4.320 -0.001 0.000 0.289 255 K C -0.462 176.029 176.600 -0.182 0.000 1.191 255 K CA 0.806 56.939 56.287 -0.258 0.000 0.851 255 K CB -1.875 30.655 32.500 0.049 0.000 1.242 255 K HN 0.573 nan 8.250 nan 0.000 0.480 256 K N -0.682 119.503 120.400 -0.359 0.000 2.267 256 K HA 0.473 4.793 4.320 -0.001 0.000 0.246 256 K C -0.465 176.042 176.600 -0.155 0.000 0.954 256 K CA -0.751 55.482 56.287 -0.091 0.000 0.824 256 K CB 0.984 33.483 32.500 -0.001 0.000 1.167 256 K HN -0.039 nan 8.250 nan 0.000 0.431 257 W N 0.851 122.236 121.300 0.141 0.000 2.390 257 W HA 0.406 5.066 4.660 -0.000 0.000 0.312 257 W C 0.461 177.051 176.519 0.120 0.000 1.123 257 W CA -0.150 57.302 57.345 0.179 0.000 1.202 257 W CB 1.804 31.373 29.460 0.183 0.000 1.251 257 W HN 0.383 nan 8.180 nan 0.000 0.511 258 T N 1.348 116.112 114.554 0.349 0.000 2.838 258 T HA 0.299 4.648 4.350 -0.001 0.000 0.292 258 T C 0.267 175.169 174.700 0.336 0.000 1.113 258 T CA -0.709 61.541 62.100 0.249 0.000 1.008 258 T CB 1.072 70.011 68.868 0.117 0.000 1.259 258 T HN 0.404 nan 8.240 nan 0.000 0.520 259 N N 0.874 119.721 118.700 0.244 0.000 2.203 259 N HA 0.183 4.923 4.740 -0.001 0.000 0.207 259 N C -0.494 175.137 175.510 0.201 0.000 1.130 259 N CA 0.004 53.229 53.050 0.293 0.000 0.861 259 N CB 0.614 39.208 38.487 0.179 0.000 1.005 259 N HN 0.411 nan 8.380 nan 0.000 0.507 260 K N 1.507 121.908 120.400 0.002 0.000 2.211 260 K HA 0.079 4.398 4.320 -0.001 0.000 0.275 260 K C 0.020 176.156 176.600 -0.774 0.000 1.024 260 K CA -0.412 55.731 56.287 -0.241 0.000 0.887 260 K CB 1.100 33.505 32.500 -0.158 0.000 1.084 260 K HN 0.038 nan 8.250 nan 0.000 0.463 261 D N 0.648 120.491 120.400 -0.929 0.000 2.338 261 D HA -0.081 4.558 4.640 -0.001 0.000 0.239 261 D C 0.165 176.088 176.300 -0.628 0.000 1.095 261 D CA 0.047 53.273 54.000 -1.290 0.000 0.888 261 D CB 0.034 40.430 40.800 -0.673 0.000 0.899 261 D HN 0.434 nan 8.370 nan 0.000 0.525 262 T N -3.007 111.287 114.554 -0.434 0.000 2.883 262 T HA 0.471 4.820 4.350 -0.001 0.000 0.301 262 T C -0.636 173.937 174.700 -0.210 0.000 1.158 262 T CA -1.020 60.925 62.100 -0.258 0.000 1.007 262 T CB 2.479 71.243 68.868 -0.175 0.000 1.186 262 T HN 0.028 nan 8.240 nan 0.000 0.499 263 D N 1.030 121.336 120.400 -0.158 0.000 2.478 263 D HA 0.519 5.159 4.640 -0.001 0.000 0.274 263 D C 1.784 178.025 176.300 -0.099 0.000 1.234 263 D CA -0.288 53.635 54.000 -0.127 0.000 1.069 263 D CB 0.121 40.851 40.800 -0.116 0.000 1.113 263 D HN 0.706 nan 8.370 nan 0.000 0.571 264 A N -0.425 122.347 122.820 -0.081 0.000 1.940 264 A HA -0.206 4.114 4.320 -0.001 0.000 0.219 264 A C 1.768 179.318 177.584 -0.058 0.000 1.176 264 A CA 1.676 53.676 52.037 -0.062 0.000 0.631 264 A CB -0.821 18.148 19.000 -0.052 0.000 0.814 264 A HN 0.560 nan 8.150 nan 0.000 0.446 265 E N -1.377 118.786 120.200 -0.061 0.000 2.502 265 E HA 0.300 4.649 4.350 -0.001 0.000 0.194 265 E C 1.252 177.817 176.600 -0.058 0.000 1.062 265 E CA 0.743 57.111 56.400 -0.054 0.000 0.867 265 E CB -0.242 29.427 29.700 -0.052 0.000 0.888 265 E HN 0.785 nan 8.360 nan 0.000 0.510 266 G N 0.744 109.501 108.800 -0.070 0.000 2.176 266 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.253 266 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.253 266 G C 0.070 174.922 174.900 -0.081 0.000 0.979 266 G CA 0.161 45.217 45.100 -0.074 0.000 0.641 266 G HN 0.272 nan 8.290 nan 0.000 0.530 267 K N 1.074 121.424 120.400 -0.083 0.000 2.326 267 K HA 0.416 4.735 4.320 -0.001 0.000 0.275 267 K C -2.453 174.085 176.600 -0.105 0.000 1.018 267 K CA -1.629 54.609 56.287 -0.082 0.000 0.962 267 K CB 0.680 33.135 32.500 -0.076 0.000 0.953 267 K HN 0.037 nan 8.250 nan 0.000 0.475 268 P HA 0.027 nan 4.420 nan 0.000 0.267 268 P C -0.887 176.347 177.300 -0.109 0.000 1.205 268 P CA 0.273 63.309 63.100 -0.107 0.000 0.765 268 P CB 0.470 32.126 31.700 -0.074 0.000 0.828 269 L N 2.400 123.535 121.223 -0.146 0.000 2.329 269 L HA 0.410 4.750 4.340 -0.001 0.000 0.279 269 L C 0.809 177.742 176.870 0.106 0.000 1.014 269 L CA -0.802 53.992 54.840 -0.077 0.000 0.814 269 L CB 1.621 43.581 42.059 -0.166 0.000 1.257 269 L HN 0.344 nan 8.230 nan 0.000 0.424 270 E N 3.725 123.980 120.200 0.092 0.000 2.289 270 E HA 0.137 4.486 4.350 -0.001 0.000 0.278 270 E C -0.133 176.512 176.600 0.074 0.000 1.032 270 E CA -0.702 55.731 56.400 0.056 0.000 0.854 270 E CB 1.020 30.665 29.700 -0.092 0.000 1.046 270 E HN 0.395 nan 8.360 nan 0.000 0.409 271 R N 3.080 123.521 120.500 -0.097 0.000 2.638 271 R HA -0.062 4.278 4.340 -0.001 0.000 0.268 271 R C 0.761 176.863 176.300 -0.329 0.000 1.006 271 R CA 0.760 56.536 56.100 -0.539 0.000 1.088 271 R CB 0.531 30.464 30.300 -0.612 0.000 0.950 271 R HN 0.741 nan 8.270 nan 0.000 0.419 272 A N 5.274 127.946 122.820 -0.246 0.000 1.933 272 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 272 A C 1.793 179.442 177.584 0.108 0.000 1.175 272 A CA 1.255 53.346 52.037 0.090 0.000 0.628 272 A CB -0.601 18.660 19.000 0.435 0.000 0.814 272 A HN 0.896 nan 8.150 nan 0.000 0.444 273 F N 1.760 121.630 119.950 -0.133 0.000 2.126 273 F HA -0.243 4.284 4.527 -0.001 0.000 0.299 273 F C 1.915 177.629 175.800 -0.142 0.000 1.096 273 F CA 2.209 60.166 58.000 -0.072 0.000 1.255 273 F CB -0.286 38.644 39.000 -0.116 0.000 0.997 273 F HN 0.252 nan 8.300 nan 0.000 0.479 274 N N 0.105 118.700 118.700 -0.176 0.000 2.106 274 N HA -0.184 4.556 4.740 -0.001 0.000 0.188 274 N C 2.006 177.287 175.510 -0.382 0.000 1.029 274 N CA 1.710 54.575 53.050 -0.309 0.000 0.848 274 N CB -0.698 37.635 38.487 -0.256 0.000 1.007 274 N HN 0.422 nan 8.380 nan 0.000 0.423 275 M N -0.849 118.514 119.600 -0.395 0.000 2.132 275 M HA -0.061 4.418 4.480 -0.001 0.000 0.263 275 M C 0.645 176.546 176.300 -0.665 0.000 1.065 275 M CA 1.668 56.615 55.300 -0.589 0.000 1.122 275 M CB 0.053 32.167 32.600 -0.811 0.000 1.365 275 M HN 0.012 nan 8.290 nan 0.000 0.411 276 F N -1.051 118.812 119.950 -0.146 0.000 2.678 276 F HA 0.245 4.771 4.527 -0.000 0.000 0.291 276 F C 1.688 177.379 175.800 -0.181 0.000 1.123 276 F CA 0.288 58.225 58.000 -0.103 0.000 1.395 276 F CB 0.002 39.004 39.000 0.003 0.000 1.121 276 F HN 0.054 nan 8.300 nan 0.000 0.592 277 I N -1.089 119.267 120.570 -0.357 0.000 3.132 277 I HA -0.065 4.105 4.170 -0.001 0.000 0.255 277 I C 1.983 177.688 176.117 -0.685 0.000 1.118 277 I CA 0.493 61.241 61.300 -0.920 0.000 1.463 277 I CB -0.197 37.011 38.000 -1.320 0.000 1.356 277 I HN -0.053 nan 8.210 nan 0.000 0.463 278 L N 0.626 121.467 121.223 -0.637 0.000 2.056 278 L HA -0.206 4.134 4.340 -0.001 0.000 0.207 278 L C 2.120 178.853 176.870 -0.228 0.000 1.078 278 L CA 1.522 56.140 54.840 -0.370 0.000 0.749 278 L CB -0.577 41.204 42.059 -0.464 0.000 0.901 278 L HN 0.290 nan 8.230 nan 0.000 0.433 279 D N -0.050 120.168 120.400 -0.304 0.000 2.104 279 D HA -0.155 4.485 4.640 -0.001 0.000 0.194 279 D C -0.642 175.654 176.300 -0.007 0.000 0.994 279 D CA 1.477 55.361 54.000 -0.192 0.000 0.830 279 D CB -0.637 40.032 40.800 -0.217 0.000 0.959 279 D HN 0.113 nan 8.370 nan 0.000 0.452 280 P HA -0.093 nan 4.420 nan 0.000 0.215 280 P C 1.411 178.801 177.300 0.149 0.000 1.153 280 P CA 1.079 64.236 63.100 0.095 0.000 0.853 280 P CB 0.007 31.828 31.700 0.201 0.000 0.788 281 I N -2.741 117.949 120.570 0.199 0.000 2.286 281 I HA -0.210 3.959 4.170 -0.001 0.000 0.245 281 I C 2.030 178.287 176.117 0.234 0.000 1.104 281 I CA 1.226 62.660 61.300 0.224 0.000 1.397 281 I CB -0.577 37.499 38.000 0.127 0.000 1.072 281 I HN -0.148 nan 8.210 nan 0.000 0.417 282 F N 1.364 121.288 119.950 -0.043 0.000 2.134 282 F HA -0.159 4.367 4.527 -0.001 0.000 0.299 282 F C 2.690 178.516 175.800 0.043 0.000 1.097 282 F CA 1.455 59.427 58.000 -0.046 0.000 1.264 282 F CB -0.626 38.330 39.000 -0.073 0.000 1.001 282 F HN -0.096 nan 8.300 nan 0.000 0.479 283 R N -0.217 120.412 120.500 0.216 0.000 2.115 283 R HA -0.118 4.222 4.340 -0.001 0.000 0.230 283 R C 2.221 178.572 176.300 0.084 0.000 1.111 283 R CA 1.023 57.193 56.100 0.116 0.000 0.976 283 R CB -0.550 29.787 30.300 0.061 0.000 0.870 283 R HN 0.327 nan 8.270 nan 0.000 0.445 284 L N -0.621 120.663 121.223 0.101 0.000 2.027 284 L HA -0.154 4.186 4.340 -0.001 0.000 0.206 284 L C 2.104 179.001 176.870 0.046 0.000 1.074 284 L CA 1.403 56.263 54.840 0.035 0.000 0.745 284 L CB -0.394 41.672 42.059 0.012 0.000 0.898 284 L HN 0.111 nan 8.230 nan 0.000 0.433 285 F N 0.042 119.941 119.950 -0.085 0.000 2.069 285 F HA -0.285 4.242 4.527 -0.001 0.000 0.298 285 F C 2.696 178.441 175.800 -0.091 0.000 1.113 285 F CA 1.955 59.898 58.000 -0.095 0.000 1.214 285 F CB -0.641 38.276 39.000 -0.138 0.000 0.978 285 F HN 0.018 nan 8.300 nan 0.000 0.474 286 T N -0.145 114.496 114.554 0.144 0.000 2.652 286 T HA -0.250 4.100 4.350 -0.001 0.000 0.267 286 T C 2.160 176.862 174.700 0.004 0.000 1.039 286 T CA 1.413 63.551 62.100 0.063 0.000 1.153 286 T CB -0.739 68.174 68.868 0.074 0.000 0.863 286 T HN 0.328 nan 8.240 nan 0.000 0.428 287 A N 0.848 123.665 122.820 -0.005 0.000 1.902 287 A HA -0.001 4.318 4.320 -0.001 0.000 0.217 287 A C 2.314 179.836 177.584 -0.104 0.000 1.181 287 A CA 1.244 53.258 52.037 -0.037 0.000 0.623 287 A CB -0.706 18.275 19.000 -0.031 0.000 0.818 287 A HN 0.534 nan 8.150 nan 0.000 0.443 288 I N -0.935 119.545 120.570 -0.150 0.000 2.333 288 I HA -0.185 3.985 4.170 -0.001 0.000 0.246 288 I C 2.270 178.128 176.117 -0.433 0.000 1.106 288 I CA 0.881 62.027 61.300 -0.256 0.000 1.411 288 I CB -0.274 37.574 38.000 -0.253 0.000 1.082 288 I HN 0.222 nan 8.210 nan 0.000 0.420 289 M N 0.145 119.545 119.600 -0.333 0.000 2.476 289 M HA -0.106 4.373 4.480 -0.001 0.000 0.262 289 M C 0.973 177.039 176.300 -0.389 0.000 1.079 289 M CA 1.497 56.569 55.300 -0.379 0.000 1.104 289 M CB -1.519 30.995 32.600 -0.144 0.000 1.409 289 M HN 0.229 nan 8.290 nan 0.000 0.467 290 N N -0.608 117.957 118.700 -0.225 0.000 2.251 290 N HA 0.150 4.889 4.740 -0.001 0.000 0.217 290 N C -0.732 174.846 175.510 0.114 0.000 1.124 290 N CA -0.152 52.897 53.050 -0.002 0.000 0.843 290 N CB -0.056 38.455 38.487 0.039 0.000 1.024 290 N HN 0.056 nan 8.380 nan 0.000 0.501 291 F N 0.302 120.251 119.950 -0.002 0.000 3.004 291 F HA -0.284 4.243 4.527 -0.000 0.000 0.264 291 F C -0.062 175.735 175.800 -0.005 0.000 0.979 291 F CA 0.403 58.399 58.000 -0.006 0.000 0.896 291 F CB -1.730 37.267 39.000 -0.004 0.000 0.813 291 F HN 0.062 nan 8.300 nan 0.000 0.804 292 K N 1.319 121.757 120.400 0.064 0.000 2.307 292 K HA 0.061 4.380 4.320 -0.001 0.000 0.240 292 K C 1.484 178.105 176.600 0.036 0.000 1.214 292 K CA -0.121 56.197 56.287 0.050 0.000 1.149 292 K CB 0.189 32.702 32.500 0.021 0.000 1.668 292 K HN 0.515 nan 8.250 nan 0.000 0.314 293 K N 0.131 120.568 120.400 0.062 0.000 2.207 293 K HA -0.268 4.052 4.320 -0.001 0.000 0.208 293 K C 0.351 176.964 176.600 0.021 0.000 1.046 293 K CA 1.802 58.116 56.287 0.045 0.000 0.929 293 K CB 0.021 32.554 32.500 0.054 0.000 0.720 293 K HN 0.286 nan 8.250 nan 0.000 0.463 294 D N 0.757 121.168 120.400 0.018 0.000 2.277 294 D HA -0.031 4.609 4.640 -0.001 0.000 0.209 294 D C 1.723 178.024 176.300 0.001 0.000 0.970 294 D CA 0.720 54.725 54.000 0.008 0.000 0.874 294 D CB 0.098 40.903 40.800 0.009 0.000 0.982 294 D HN 0.447 nan 8.370 nan 0.000 0.504 295 E N 0.877 121.077 120.200 0.000 0.000 2.072 295 E HA -0.040 4.310 4.350 -0.001 0.000 0.190 295 E C 2.357 178.945 176.600 -0.019 0.000 0.982 295 E CA 0.244 56.639 56.400 -0.008 0.000 0.803 295 E CB 0.110 29.807 29.700 -0.005 0.000 0.755 295 E HN 0.219 nan 8.360 nan 0.000 0.453 296 I N 1.369 121.924 120.570 -0.024 0.000 2.113 296 I HA -0.280 3.889 4.170 -0.001 0.000 0.242 296 I C -0.723 175.370 176.117 -0.041 0.000 1.057 296 I CA 1.500 62.776 61.300 -0.040 0.000 1.314 296 I CB -1.471 36.503 38.000 -0.043 0.000 1.022 296 I HN 0.093 nan 8.210 nan 0.000 0.408 297 P HA -0.138 nan 4.420 nan 0.000 0.216 297 P C 1.967 179.249 177.300 -0.029 0.000 1.153 297 P CA 1.310 64.395 63.100 -0.026 0.000 0.858 297 P CB 0.007 31.698 31.700 -0.015 0.000 0.789 298 V N -0.772 119.127 119.914 -0.025 0.000 2.261 298 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 298 V C 2.405 178.478 176.094 -0.036 0.000 1.047 298 V CA 1.606 63.891 62.300 -0.025 0.000 1.015 298 V CB -1.291 30.521 31.823 -0.019 0.000 0.642 298 V HN 0.035 nan 8.190 nan 0.000 0.446 299 L N -0.780 120.417 121.223 -0.044 0.000 2.012 299 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 299 L C 2.211 179.026 176.870 -0.091 0.000 1.073 299 L CA 1.895 56.697 54.840 -0.063 0.000 0.748 299 L CB -0.767 41.252 42.059 -0.066 0.000 0.891 299 L HN 0.185 nan 8.230 nan 0.000 0.431 300 L N -0.608 120.561 121.223 -0.090 0.000 2.012 300 L HA -0.238 4.101 4.340 -0.001 0.000 0.210 300 L C 2.570 179.395 176.870 -0.075 0.000 1.073 300 L CA 1.913 56.692 54.840 -0.102 0.000 0.748 300 L CB -0.992 41.021 42.059 -0.076 0.000 0.891 300 L HN 0.415 nan 8.230 nan 0.000 0.431 301 E N -0.376 119.795 120.200 -0.048 0.000 2.110 301 E HA -0.244 4.106 4.350 -0.001 0.000 0.193 301 E C 2.093 178.677 176.600 -0.027 0.000 0.988 301 E CA 1.169 57.551 56.400 -0.030 0.000 0.804 301 E CB 0.080 29.767 29.700 -0.021 0.000 0.745 301 E HN 0.401 nan 8.360 nan 0.000 0.458 302 K N -0.129 120.251 120.400 -0.033 0.000 2.148 302 K HA -0.051 4.268 4.320 -0.001 0.000 0.204 302 K C 1.695 178.287 176.600 -0.013 0.000 1.050 302 K CA 0.727 57.002 56.287 -0.021 0.000 0.942 302 K CB 0.096 32.582 32.500 -0.023 0.000 0.724 302 K HN 0.244 nan 8.250 nan 0.000 0.446 303 L N 0.845 122.035 121.223 -0.055 0.000 2.653 303 L HA 0.077 4.416 4.340 -0.001 0.000 0.231 303 L C -0.367 176.489 176.870 -0.024 0.000 1.153 303 L CA 0.075 54.875 54.840 -0.067 0.000 0.933 303 L CB -0.169 41.708 42.059 -0.304 0.000 1.175 303 L HN 0.193 nan 8.230 nan 0.000 0.473 304 E N 0.701 120.894 120.200 -0.011 0.000 2.360 304 E HA -0.216 4.134 4.350 -0.001 0.000 0.238 304 E C -0.220 176.385 176.600 0.008 0.000 1.186 304 E CA 0.192 56.598 56.400 0.010 0.000 0.719 304 E CB -1.076 28.648 29.700 0.040 0.000 1.236 304 E HN 0.289 nan 8.360 nan 0.000 0.386 305 I N 1.618 122.170 120.570 -0.030 0.000 2.312 305 I HA 0.179 4.349 4.170 -0.001 0.000 0.290 305 I C 0.725 176.832 176.117 -0.017 0.000 1.008 305 I CA -0.652 60.633 61.300 -0.025 0.000 1.226 305 I CB 1.017 38.964 38.000 -0.088 0.000 1.371 305 I HN -0.040 nan 8.210 nan 0.000 0.468 306 V N 6.253 126.168 119.914 0.002 0.000 2.384 306 V HA 0.575 4.695 4.120 -0.001 0.000 0.287 306 V C -0.254 175.841 176.094 0.002 0.000 1.020 306 V CA -0.763 61.537 62.300 0.000 0.000 0.850 306 V CB 1.540 33.368 31.823 0.007 0.000 0.987 306 V HN 0.466 nan 8.190 nan 0.000 0.436 307 L N 5.571 126.791 121.223 -0.004 0.000 2.312 307 L HA 0.641 4.980 4.340 -0.001 0.000 0.281 307 L C 0.306 177.176 176.870 0.001 0.000 1.070 307 L CA -0.483 54.356 54.840 -0.003 0.000 0.805 307 L CB 1.427 43.480 42.059 -0.010 0.000 1.174 307 L HN 0.889 nan 8.230 nan 0.000 0.434 308 K N 1.591 121.993 120.400 0.004 0.000 2.371 308 K HA 0.807 5.127 4.320 -0.001 0.000 0.251 308 K C 0.262 176.865 176.600 0.004 0.000 0.934 308 K CA -0.248 56.042 56.287 0.005 0.000 0.798 308 K CB 2.190 34.695 32.500 0.008 0.000 1.204 308 K HN 0.642 nan 8.250 nan 0.000 0.427 309 G N 2.674 111.476 108.800 0.004 0.000 2.556 309 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.283 309 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.283 309 G C 0.188 175.090 174.900 0.004 0.000 1.177 309 G CA 0.505 45.608 45.100 0.004 0.000 0.978 309 G HN 0.788 nan 8.290 nan 0.000 0.554 310 D N 1.495 121.898 120.400 0.004 0.000 2.348 310 D HA 0.024 4.664 4.640 -0.001 0.000 0.216 310 D C 2.235 178.537 176.300 0.003 0.000 0.970 310 D CA 1.176 55.178 54.000 0.004 0.000 0.889 310 D CB -0.137 40.666 40.800 0.004 0.000 0.912 310 D HN 0.725 nan 8.370 nan 0.000 0.524 311 E N 0.922 121.123 120.200 0.002 0.000 2.153 311 E HA -0.140 4.210 4.350 -0.001 0.000 0.194 311 E C 1.687 178.285 176.600 -0.003 0.000 0.988 311 E CA 0.659 57.058 56.400 -0.002 0.000 0.811 311 E CB -0.002 29.697 29.700 -0.002 0.000 0.746 311 E HN 0.286 nan 8.360 nan 0.000 0.466 312 K N 0.717 121.116 120.400 -0.001 0.000 2.360 312 K HA -0.116 4.204 4.320 -0.001 0.000 0.201 312 K C 1.024 177.627 176.600 0.004 0.000 1.046 312 K CA 0.937 57.224 56.287 -0.001 0.000 0.945 312 K CB 0.126 32.627 32.500 0.001 0.000 0.750 312 K HN 0.113 nan 8.250 nan 0.000 0.464 313 D N 0.460 120.864 120.400 0.007 0.000 2.367 313 D HA 0.048 4.688 4.640 -0.001 0.000 0.207 313 D C 0.627 176.939 176.300 0.020 0.000 1.034 313 D CA 0.212 54.220 54.000 0.013 0.000 0.861 313 D CB 0.247 41.054 40.800 0.012 0.000 0.943 313 D HN 0.104 nan 8.370 nan 0.000 0.515 314 L N 1.186 122.417 121.223 0.013 0.000 2.473 314 L HA 0.143 4.483 4.340 -0.001 0.000 0.268 314 L C 0.675 177.560 176.870 0.026 0.000 1.215 314 L CA 0.507 55.356 54.840 0.015 0.000 0.823 314 L CB 0.430 42.485 42.059 -0.006 0.000 1.099 314 L HN -0.152 nan 8.230 nan 0.000 0.483 315 E N -0.241 119.989 120.200 0.049 0.000 2.458 315 E HA 0.532 4.882 4.350 -0.001 0.000 0.278 315 E C 0.029 176.636 176.600 0.011 0.000 1.004 315 E CA -0.471 55.978 56.400 0.082 0.000 0.823 315 E CB 1.510 31.386 29.700 0.293 0.000 1.396 315 E HN 0.701 nan 8.360 nan 0.000 0.463 316 G N 1.233 109.895 108.800 -0.229 0.000 2.602 316 G HA2 -0.423 3.536 3.960 -0.001 0.000 0.306 316 G HA3 -0.423 3.536 3.960 -0.001 0.000 0.306 316 G C 0.665 175.440 174.900 -0.208 0.000 1.301 316 G CA 0.889 45.770 45.100 -0.367 0.000 0.974 316 G HN 0.591 nan 8.290 nan 0.000 0.547 317 K N 0.190 120.516 120.400 -0.125 0.000 2.059 317 K HA -0.101 4.218 4.320 -0.001 0.000 0.212 317 K C 3.120 179.640 176.600 -0.133 0.000 1.050 317 K CA 2.193 58.408 56.287 -0.121 0.000 0.927 317 K CB -0.492 31.980 32.500 -0.045 0.000 0.714 317 K HN 0.735 nan 8.250 nan 0.000 0.447 318 A N 1.481 124.256 122.820 -0.074 0.000 1.908 318 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 318 A C 2.159 179.694 177.584 -0.081 0.000 1.181 318 A CA 1.503 53.503 52.037 -0.062 0.000 0.627 318 A CB -0.569 18.419 19.000 -0.020 0.000 0.818 318 A HN 0.277 nan 8.150 nan 0.000 0.445 319 L N -0.925 120.244 121.223 -0.089 0.000 2.056 319 L HA -0.059 4.281 4.340 -0.001 0.000 0.207 319 L C 2.233 179.020 176.870 -0.139 0.000 1.078 319 L CA 2.006 56.788 54.840 -0.096 0.000 0.749 319 L CB -0.662 41.339 42.059 -0.097 0.000 0.901 319 L HN 0.336 nan 8.230 nan 0.000 0.433 320 L N -0.062 121.039 121.223 -0.204 0.000 2.012 320 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 320 L C 2.498 179.221 176.870 -0.244 0.000 1.073 320 L CA 1.974 56.645 54.840 -0.281 0.000 0.748 320 L CB -0.733 41.084 42.059 -0.404 0.000 0.891 320 L HN 0.279 nan 8.230 nan 0.000 0.431 321 K N -1.207 119.040 120.400 -0.254 0.000 2.063 321 K HA -0.165 4.155 4.320 -0.001 0.000 0.208 321 K C 1.957 178.518 176.600 -0.066 0.000 1.048 321 K CA 1.693 57.856 56.287 -0.206 0.000 0.928 321 K CB -0.516 31.860 32.500 -0.206 0.000 0.713 321 K HN 0.272 nan 8.250 nan 0.000 0.442 322 V N 1.102 120.979 119.914 -0.062 0.000 2.358 322 V HA -0.206 3.913 4.120 -0.001 0.000 0.246 322 V C 2.290 178.384 176.094 -0.001 0.000 1.047 322 V CA 1.416 63.704 62.300 -0.019 0.000 1.035 322 V CB -0.221 31.587 31.823 -0.025 0.000 0.658 322 V HN 0.096 nan 8.190 nan 0.000 0.452 323 V N -0.578 119.315 119.914 -0.035 0.000 2.307 323 V HA -0.273 3.847 4.120 -0.001 0.000 0.245 323 V C 2.493 178.621 176.094 0.058 0.000 1.045 323 V CA 1.879 64.166 62.300 -0.022 0.000 1.024 323 V CB -0.571 31.198 31.823 -0.090 0.000 0.651 323 V HN 0.406 nan 8.190 nan 0.000 0.449 324 M N -0.498 119.129 119.600 0.045 0.000 2.159 324 M HA -0.121 4.358 4.480 -0.001 0.000 0.263 324 M C 2.291 178.744 176.300 0.255 0.000 1.063 324 M CA 1.618 57.001 55.300 0.138 0.000 1.110 324 M CB -1.253 31.344 32.600 -0.006 0.000 1.374 324 M HN 0.288 nan 8.290 nan 0.000 0.411 325 R N 0.210 120.831 120.500 0.201 0.000 2.096 325 R HA -0.111 4.229 4.340 -0.001 0.000 0.235 325 R C 2.226 178.623 176.300 0.161 0.000 1.127 325 R CA 1.193 57.407 56.100 0.190 0.000 0.968 325 R CB -0.148 30.228 30.300 0.127 0.000 0.861 325 R HN 0.408 nan 8.270 nan 0.000 0.440 326 K N -0.571 119.916 120.400 0.145 0.000 2.167 326 K HA -0.081 4.239 4.320 -0.001 0.000 0.203 326 K C 1.773 178.498 176.600 0.208 0.000 1.052 326 K CA 0.787 57.155 56.287 0.135 0.000 0.956 326 K CB -0.091 32.466 32.500 0.096 0.000 0.735 326 K HN 0.048 nan 8.250 nan 0.000 0.451 327 F N 1.167 121.142 119.950 0.043 0.000 2.098 327 F HA 0.045 4.572 4.527 -0.000 0.000 0.294 327 F C 0.587 176.419 175.800 0.053 0.000 1.107 327 F CA 1.022 59.043 58.000 0.034 0.000 1.234 327 F CB 0.191 39.206 39.000 0.025 0.000 1.002 327 F HN -0.202 nan 8.300 nan 0.000 0.472 328 L N 1.330 122.584 121.223 0.052 0.000 2.502 328 L HA 0.321 4.661 4.340 -0.001 0.000 0.249 328 L C -2.590 174.388 176.870 0.180 0.000 1.446 328 L CA -1.872 52.965 54.840 -0.006 0.000 0.887 328 L CB 0.990 43.041 42.059 -0.013 0.000 1.126 328 L HN -0.168 nan 8.230 nan 0.000 0.509 329 P HA -0.053 nan 4.420 nan 0.000 0.258 329 P C 0.823 178.193 177.300 0.117 0.000 1.172 329 P CA 0.347 63.523 63.100 0.128 0.000 0.762 329 P CB 1.181 32.928 31.700 0.078 0.000 0.764 330 A N 5.497 128.393 122.820 0.127 0.000 1.865 330 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 330 A C 2.203 179.801 177.584 0.024 0.000 1.191 330 A CA 2.275 54.352 52.037 0.067 0.000 0.623 330 A CB -1.618 17.396 19.000 0.024 0.000 0.826 330 A HN 0.517 nan 8.150 nan 0.000 0.444 331 A N 0.009 122.843 122.820 0.024 0.000 1.917 331 A HA -0.274 4.046 4.320 -0.001 0.000 0.219 331 A C 1.740 179.324 177.584 0.000 0.000 1.182 331 A CA 2.248 54.290 52.037 0.007 0.000 0.633 331 A CB -0.826 18.183 19.000 0.016 0.000 0.819 331 A HN 0.495 nan 8.150 nan 0.000 0.448 332 D N -0.127 120.280 120.400 0.011 0.000 2.149 332 D HA -0.066 4.574 4.640 -0.001 0.000 0.198 332 D C 2.195 178.489 176.300 -0.011 0.000 0.990 332 D CA 1.563 55.562 54.000 -0.001 0.000 0.839 332 D CB -0.404 40.398 40.800 0.003 0.000 0.948 332 D HN 0.465 nan 8.370 nan 0.000 0.460 333 A N 0.331 123.152 122.820 0.002 0.000 1.898 333 A HA -0.094 4.225 4.320 -0.001 0.000 0.216 333 A C 2.333 179.894 177.584 -0.037 0.000 1.181 333 A CA 0.866 52.901 52.037 -0.003 0.000 0.620 333 A CB -0.653 18.356 19.000 0.016 0.000 0.819 333 A HN 0.211 nan 8.150 nan 0.000 0.442 334 L N -0.761 120.434 121.223 -0.047 0.000 2.027 334 L HA -0.133 4.206 4.340 -0.001 0.000 0.206 334 L C 2.524 179.361 176.870 -0.054 0.000 1.074 334 L CA 0.968 55.771 54.840 -0.061 0.000 0.745 334 L CB -0.683 41.341 42.059 -0.058 0.000 0.898 334 L HN 0.333 nan 8.230 nan 0.000 0.433 335 L N -0.186 121.008 121.223 -0.048 0.000 2.131 335 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 335 L C 2.655 179.467 176.870 -0.097 0.000 1.092 335 L CA 1.186 55.987 54.840 -0.065 0.000 0.759 335 L CB -0.486 41.540 42.059 -0.055 0.000 0.903 335 L HN 0.359 nan 8.230 nan 0.000 0.435 336 E N 0.425 120.579 120.200 -0.077 0.000 2.051 336 E HA -0.250 4.100 4.350 -0.001 0.000 0.192 336 E C 2.342 178.904 176.600 -0.063 0.000 0.991 336 E CA 1.367 57.717 56.400 -0.083 0.000 0.799 336 E CB -0.019 29.657 29.700 -0.041 0.000 0.748 336 E HN 0.440 nan 8.360 nan 0.000 0.449 337 M N 0.207 119.798 119.600 -0.016 0.000 2.175 337 M HA -0.129 4.351 4.480 -0.001 0.000 0.264 337 M C 2.356 178.666 176.300 0.016 0.000 1.063 337 M CA 1.136 56.471 55.300 0.058 0.000 1.119 337 M CB -0.232 32.362 32.600 -0.010 0.000 1.377 337 M HN 0.199 nan 8.290 nan 0.000 0.415 338 I N -0.463 120.080 120.570 -0.045 0.000 2.179 338 I HA -0.253 3.917 4.170 -0.001 0.000 0.242 338 I C 2.333 178.381 176.117 -0.115 0.000 1.088 338 I CA 1.136 62.402 61.300 -0.056 0.000 1.357 338 I CB -0.425 37.541 38.000 -0.055 0.000 1.051 338 I HN 0.064 nan 8.210 nan 0.000 0.409 339 V N 0.940 120.719 119.914 -0.225 0.000 2.283 339 V HA -0.222 3.898 4.120 -0.001 0.000 0.243 339 V C 2.287 178.143 176.094 -0.397 0.000 1.039 339 V CA 1.600 63.633 62.300 -0.445 0.000 1.016 339 V CB -0.417 30.957 31.823 -0.748 0.000 0.650 339 V HN 0.352 nan 8.190 nan 0.000 0.449 340 L N -1.019 119.998 121.223 -0.344 0.000 2.217 340 L HA -0.058 4.282 4.340 -0.001 0.000 0.211 340 L C 2.342 178.889 176.870 -0.539 0.000 1.107 340 L CA 1.176 55.758 54.840 -0.430 0.000 0.783 340 L CB -0.486 41.281 42.059 -0.487 0.000 0.919 340 L HN 0.469 nan 8.230 nan 0.000 0.442 341 H N -1.456 117.567 119.070 -0.077 0.000 2.927 341 H HA 0.314 4.870 4.556 -0.001 0.000 0.255 341 H C 0.753 176.070 175.328 -0.019 0.000 0.974 341 H CA -0.233 55.791 56.048 -0.040 0.000 1.199 341 H CB 0.769 30.505 29.762 -0.043 0.000 1.447 341 H HN 0.130 nan 8.280 nan 0.000 0.467 342 L N 4.437 125.700 121.223 0.068 0.000 2.397 342 L HA 0.188 4.528 4.340 -0.001 0.000 0.271 342 L C -1.954 174.951 176.870 0.058 0.000 1.148 342 L CA -1.687 53.189 54.840 0.060 0.000 0.825 342 L CB 0.684 42.764 42.059 0.035 0.000 1.117 342 L HN -0.062 nan 8.230 nan 0.000 0.456 343 P HA 0.112 nan 4.420 nan 0.000 0.277 343 P C -0.724 176.618 177.300 0.070 0.000 1.240 343 P CA -0.482 62.675 63.100 0.095 0.000 0.798 343 P CB 1.357 33.151 31.700 0.156 0.000 0.979 344 S N 1.695 117.433 115.700 0.062 0.000 2.655 344 S HA 0.326 4.795 4.470 -0.001 0.000 0.265 344 S C -1.790 172.821 174.600 0.018 0.000 1.240 344 S CA -1.147 57.084 58.200 0.052 0.000 0.986 344 S CB -0.083 63.153 63.200 0.060 0.000 0.985 344 S HN 0.252 nan 8.310 nan 0.000 0.562 345 P HA -0.022 nan 4.420 nan 0.000 0.217 345 P C 1.545 178.826 177.300 -0.033 0.000 1.150 345 P CA 0.525 63.614 63.100 -0.019 0.000 0.832 345 P CB -0.203 31.476 31.700 -0.036 0.000 0.787 346 V N -0.345 119.557 119.914 -0.020 0.000 2.287 346 V HA -0.266 3.854 4.120 -0.001 0.000 0.248 346 V C 2.325 178.393 176.094 -0.043 0.000 1.053 346 V CA 2.643 64.929 62.300 -0.023 0.000 1.027 346 V CB -1.855 29.964 31.823 -0.006 0.000 0.646 346 V HN 0.192 nan 8.190 nan 0.000 0.447 347 T N 0.264 114.801 114.554 -0.028 0.000 2.737 347 T HA -0.111 4.238 4.350 -0.001 0.000 0.265 347 T C 2.056 176.633 174.700 -0.204 0.000 1.038 347 T CA 1.666 63.755 62.100 -0.019 0.000 1.144 347 T CB -0.427 68.480 68.868 0.065 0.000 0.866 347 T HN 0.564 nan 8.240 nan 0.000 0.434 348 A N 1.395 124.047 122.820 -0.280 0.000 1.898 348 A HA -0.108 4.212 4.320 -0.001 0.000 0.216 348 A C 2.238 179.377 177.584 -0.743 0.000 1.181 348 A CA 1.237 52.858 52.037 -0.694 0.000 0.620 348 A CB -0.610 18.256 19.000 -0.224 0.000 0.819 348 A HN 0.542 nan 8.150 nan 0.000 0.442 349 Q N -0.505 119.114 119.800 -0.302 0.000 2.291 349 Q HA -0.063 4.276 4.340 -0.001 0.000 0.206 349 Q C 2.267 178.145 176.000 -0.202 0.000 0.976 349 Q CA 0.915 56.616 55.803 -0.169 0.000 0.875 349 Q CB -0.380 28.360 28.738 0.004 0.000 0.927 349 Q HN 0.699 nan 8.270 nan 0.000 0.450 350 A N 1.072 123.749 122.820 -0.238 0.000 1.933 350 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 350 A C 1.649 179.207 177.584 -0.044 0.000 1.175 350 A CA 1.495 53.467 52.037 -0.108 0.000 0.628 350 A CB -0.585 18.391 19.000 -0.039 0.000 0.814 350 A HN 0.622 nan 8.150 nan 0.000 0.444 351 Y N -3.192 117.121 120.300 0.021 0.000 2.458 351 Y HA 0.518 5.068 4.550 -0.001 0.000 0.256 351 Y C 1.751 177.657 175.900 0.010 0.000 1.159 351 Y CA -0.137 57.972 58.100 0.016 0.000 1.261 351 Y CB -0.091 38.382 38.460 0.022 0.000 1.119 351 Y HN 0.092 nan 8.280 nan 0.000 0.524 352 R N 0.306 120.783 120.500 -0.037 0.000 2.282 352 R HA 0.320 4.659 4.340 -0.001 0.000 0.195 352 R C 2.315 178.576 176.300 -0.064 0.000 0.909 352 R CA 0.628 56.730 56.100 0.003 0.000 1.039 352 R CB 0.023 30.290 30.300 -0.056 0.000 1.015 352 R HN 0.377 nan 8.270 nan 0.000 0.513 353 A N 1.955 124.725 122.820 -0.083 0.000 1.896 353 A HA -0.291 4.028 4.320 -0.001 0.000 0.220 353 A C 1.812 179.371 177.584 -0.042 0.000 1.206 353 A CA 1.858 53.837 52.037 -0.097 0.000 0.647 353 A CB -0.431 18.527 19.000 -0.070 0.000 0.828 353 A HN 0.346 nan 8.150 nan 0.000 0.455 354 E N -0.602 119.602 120.200 0.006 0.000 2.051 354 E HA -0.248 4.102 4.350 -0.001 0.000 0.192 354 E C 2.344 178.959 176.600 0.024 0.000 0.991 354 E CA 1.414 57.837 56.400 0.038 0.000 0.799 354 E CB -0.319 29.404 29.700 0.038 0.000 0.748 354 E HN 0.762 nan 8.360 nan 0.000 0.449 355 Q N 0.499 120.302 119.800 0.004 0.000 2.096 355 Q HA -0.158 4.182 4.340 -0.001 0.000 0.204 355 Q C 2.401 178.369 176.000 -0.053 0.000 0.982 355 Q CA 1.124 56.920 55.803 -0.012 0.000 0.850 355 Q CB -0.205 28.532 28.738 -0.001 0.000 0.901 355 Q HN 0.334 nan 8.270 nan 0.000 0.422 356 L N -0.863 120.293 121.223 -0.113 0.000 2.201 356 L HA -0.080 4.260 4.340 -0.001 0.000 0.212 356 L C 0.657 177.486 176.870 -0.067 0.000 1.105 356 L CA 0.363 55.071 54.840 -0.220 0.000 0.775 356 L CB -0.089 41.676 42.059 -0.490 0.000 0.913 356 L HN 0.165 nan 8.230 nan 0.000 0.440 357 Y N 0.811 121.026 120.300 -0.143 0.000 2.331 357 Y HA 0.184 4.734 4.550 -0.001 0.000 0.338 357 Y C 1.117 177.020 175.900 0.005 0.000 0.976 357 Y CA -1.189 56.876 58.100 -0.059 0.000 1.137 357 Y CB 0.820 39.246 38.460 -0.056 0.000 1.172 357 Y HN -0.043 nan 8.280 nan 0.000 0.478 358 E N 3.146 123.195 120.200 -0.251 0.000 2.511 358 E HA 0.089 4.439 4.350 -0.001 0.000 0.196 358 E C 0.817 177.176 176.600 -0.402 0.000 1.066 358 E CA 0.306 56.618 56.400 -0.146 0.000 0.871 358 E CB 0.194 29.922 29.700 0.046 0.000 0.863 358 E HN 0.850 nan 8.360 nan 0.000 0.520 359 G N 1.783 109.966 108.800 -1.029 0.000 2.531 359 G HA2 0.359 4.319 3.960 -0.001 0.000 0.281 359 G HA3 0.359 4.319 3.960 -0.001 0.000 0.281 359 G C -2.500 172.195 174.900 -0.343 0.000 1.382 359 G CA -1.147 43.326 45.100 -1.044 0.000 1.045 359 G HN -0.085 nan 8.290 nan 0.000 0.533 360 P HA 0.231 nan 4.420 nan 0.000 0.268 360 P C 0.582 177.933 177.300 0.085 0.000 1.204 360 P CA 0.328 63.413 63.100 -0.024 0.000 0.768 360 P CB 1.257 32.949 31.700 -0.015 0.000 0.842 361 A N 3.574 126.420 122.820 0.044 0.000 1.972 361 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 361 A C 1.332 178.942 177.584 0.043 0.000 1.169 361 A CA 2.061 54.131 52.037 0.056 0.000 0.635 361 A CB -1.107 17.909 19.000 0.027 0.000 0.810 361 A HN 0.675 nan 8.150 nan 0.000 0.446 362 D N -0.789 119.629 120.400 0.029 0.000 2.342 362 D HA 0.177 4.817 4.640 -0.001 0.000 0.221 362 D C 0.242 176.555 176.300 0.021 0.000 1.101 362 D CA 0.053 54.064 54.000 0.017 0.000 0.837 362 D CB -0.330 40.475 40.800 0.009 0.000 0.938 362 D HN 0.444 nan 8.370 nan 0.000 0.508 363 D N -0.427 120.002 120.400 0.049 0.000 2.368 363 D HA 0.299 4.939 4.640 -0.001 0.000 0.240 363 D C 1.499 177.802 176.300 0.004 0.000 1.169 363 D CA 0.104 54.140 54.000 0.061 0.000 0.906 363 D CB 1.191 42.104 40.800 0.189 0.000 1.187 363 D HN 0.023 nan 8.370 nan 0.000 0.435 364 A N 2.858 125.677 122.820 -0.001 0.000 1.930 364 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 364 A C 1.842 179.376 177.584 -0.084 0.000 1.175 364 A CA 1.662 53.682 52.037 -0.029 0.000 0.627 364 A CB -0.783 18.211 19.000 -0.010 0.000 0.815 364 A HN 0.772 nan 8.150 nan 0.000 0.443 365 N N -0.854 117.765 118.700 -0.135 0.000 2.216 365 N HA -0.122 4.617 4.740 -0.001 0.000 0.183 365 N C 1.650 176.882 175.510 -0.463 0.000 1.017 365 N CA 1.284 54.164 53.050 -0.283 0.000 0.861 365 N CB -0.584 37.703 38.487 -0.333 0.000 0.986 365 N HN 0.557 nan 8.380 nan 0.000 0.428 366 C N 0.595 119.578 119.300 -0.529 0.000 2.432 366 C HA 0.030 4.490 4.460 -0.001 0.000 0.277 366 C C 2.337 177.217 174.990 -0.184 0.000 1.249 366 C CA 0.427 59.204 59.018 -0.401 0.000 1.725 366 C CB -1.143 26.542 27.740 -0.092 0.000 2.028 366 C HN 0.352 nan 8.230 nan 0.000 0.477 367 I N 1.719 122.219 120.570 -0.117 0.000 2.286 367 I HA -0.135 4.035 4.170 -0.001 0.000 0.248 367 I C 2.861 178.936 176.117 -0.071 0.000 1.115 367 I CA 1.918 63.177 61.300 -0.068 0.000 1.392 367 I CB -1.764 36.210 38.000 -0.042 0.000 1.065 367 I HN 0.427 nan 8.210 nan 0.000 0.418 368 A N 1.034 123.800 122.820 -0.089 0.000 1.933 368 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 368 A C 2.188 179.738 177.584 -0.056 0.000 1.175 368 A CA 1.161 53.159 52.037 -0.065 0.000 0.628 368 A CB -0.454 18.506 19.000 -0.066 0.000 0.814 368 A HN 0.274 nan 8.150 nan 0.000 0.444 369 I N 0.072 120.586 120.570 -0.094 0.000 2.202 369 I HA -0.191 3.978 4.170 -0.001 0.000 0.242 369 I C 2.177 178.271 176.117 -0.039 0.000 1.091 369 I CA 1.442 62.709 61.300 -0.056 0.000 1.368 369 I CB -1.398 36.512 38.000 -0.151 0.000 1.058 369 I HN 0.345 nan 8.210 nan 0.000 0.410 370 K N 0.832 121.195 120.400 -0.062 0.000 2.113 370 K HA -0.165 4.155 4.320 -0.001 0.000 0.208 370 K C 1.408 177.989 176.600 -0.033 0.000 1.047 370 K CA 1.314 57.573 56.287 -0.047 0.000 0.928 370 K CB -0.159 32.320 32.500 -0.036 0.000 0.716 370 K HN 0.388 nan 8.250 nan 0.000 0.446 371 N N 0.092 118.775 118.700 -0.027 0.000 2.280 371 N HA -0.027 4.712 4.740 -0.001 0.000 0.192 371 N C 0.165 175.667 175.510 -0.014 0.000 1.109 371 N CA 0.248 53.286 53.050 -0.019 0.000 0.855 371 N CB 0.136 38.612 38.487 -0.018 0.000 0.974 371 N HN 0.156 nan 8.380 nan 0.000 0.482 372 C N 2.345 121.641 119.300 -0.006 0.000 4.167 372 C HA -0.200 4.260 4.460 -0.001 0.000 0.302 372 C C -0.007 174.980 174.990 -0.006 0.000 1.384 372 C CA -0.509 58.513 59.018 0.005 0.000 2.041 372 C CB -2.350 25.389 27.740 -0.003 0.000 1.303 372 C HN 0.325 nan 8.230 nan 0.000 0.718 373 D N 1.625 122.020 120.400 -0.009 0.000 2.342 373 D HA 0.201 4.840 4.640 -0.001 0.000 0.260 373 D C -0.219 176.073 176.300 -0.013 0.000 1.278 373 D CA -1.624 52.368 54.000 -0.014 0.000 0.910 373 D CB 0.981 41.770 40.800 -0.018 0.000 1.079 373 D HN 0.450 nan 8.370 nan 0.000 0.496 374 P HA -0.084 nan 4.420 nan 0.000 0.226 374 P C 0.607 177.898 177.300 -0.015 0.000 1.153 374 P CA 0.695 63.785 63.100 -0.017 0.000 0.777 374 P CB 0.457 32.144 31.700 -0.021 0.000 0.794 375 K N -0.626 119.765 120.400 -0.015 0.000 2.379 375 K HA 0.236 4.556 4.320 -0.001 0.000 0.194 375 K C 1.375 177.968 176.600 -0.012 0.000 1.031 375 K CA -0.125 56.154 56.287 -0.013 0.000 1.037 375 K CB 0.166 32.658 32.500 -0.013 0.000 0.824 375 K HN 0.081 nan 8.250 nan 0.000 0.516 376 A N 1.619 124.430 122.820 -0.014 0.000 2.262 376 A HA 0.061 4.381 4.320 -0.001 0.000 0.273 376 A C -0.102 177.476 177.584 -0.011 0.000 1.202 376 A CA -0.312 51.717 52.037 -0.015 0.000 0.811 376 A CB 0.158 19.144 19.000 -0.022 0.000 1.159 376 A HN 0.068 nan 8.150 nan 0.000 0.505 377 D N -0.271 120.123 120.400 -0.010 0.000 2.399 377 D HA 0.240 4.880 4.640 -0.001 0.000 0.241 377 D C 0.049 176.349 176.300 -0.000 0.000 1.133 377 D CA 0.046 54.044 54.000 -0.003 0.000 0.890 377 D CB 0.665 41.466 40.800 0.003 0.000 1.201 377 D HN 0.346 nan 8.370 nan 0.000 0.432 378 L N 2.749 123.975 121.223 0.006 0.000 2.525 378 L HA 0.036 4.376 4.340 -0.001 0.000 0.278 378 L C -0.389 176.501 176.870 0.034 0.000 1.218 378 L CA 0.678 55.528 54.840 0.016 0.000 0.878 378 L CB 0.093 42.159 42.059 0.011 0.000 1.127 378 L HN 0.251 nan 8.230 nan 0.000 0.492 379 M N 7.822 127.456 119.600 0.058 0.000 1.988 379 M HA 0.305 4.785 4.480 -0.001 0.000 0.243 379 M C -1.278 175.125 176.300 0.173 0.000 0.897 379 M CA -0.114 55.247 55.300 0.102 0.000 0.935 379 M CB 0.978 33.617 32.600 0.066 0.000 1.956 379 M HN 0.579 nan 8.290 nan 0.000 0.389 380 L N 2.957 124.273 121.223 0.154 0.000 2.305 380 L HA 0.532 4.872 4.340 -0.001 0.000 0.284 380 L C -1.472 175.541 176.870 0.238 0.000 1.013 380 L CA -0.757 54.179 54.840 0.160 0.000 0.819 380 L CB 1.619 43.713 42.059 0.058 0.000 1.227 380 L HN 0.574 nan 8.230 nan 0.000 0.417 381 Y N 5.157 125.565 120.300 0.180 0.000 2.350 381 Y HA 0.391 4.940 4.550 -0.001 0.000 0.340 381 Y C -0.599 175.352 175.900 0.085 0.000 1.006 381 Y CA -0.453 57.755 58.100 0.180 0.000 1.166 381 Y CB 1.261 39.923 38.460 0.337 0.000 1.168 381 Y HN 0.294 nan 8.280 nan 0.000 0.502 382 V N 7.104 126.838 119.914 -0.300 0.000 2.372 382 V HA 0.030 4.149 4.120 -0.001 0.000 0.261 382 V C 0.973 176.752 176.094 -0.524 0.000 1.055 382 V CA 0.461 62.590 62.300 -0.285 0.000 0.930 382 V CB 0.720 32.465 31.823 -0.131 0.000 1.031 382 V HN 1.004 nan 8.190 nan 0.000 0.479 383 S N 4.568 120.067 115.700 -0.334 0.000 2.406 383 S HA 0.043 4.512 4.470 -0.001 0.000 0.228 383 S C 0.627 175.248 174.600 0.035 0.000 1.020 383 S CA 1.167 59.276 58.200 -0.151 0.000 0.965 383 S CB -0.057 63.228 63.200 0.142 0.000 0.798 383 S HN 0.909 nan 8.310 nan 0.000 0.488 384 K N -1.346 119.118 120.400 0.108 0.000 2.999 384 K HA 0.248 4.568 4.320 -0.001 0.000 0.295 384 K C -1.649 175.054 176.600 0.172 0.000 1.082 384 K CA -0.961 55.406 56.287 0.134 0.000 0.816 384 K CB 0.130 32.724 32.500 0.155 0.000 1.492 384 K HN -0.025 nan 8.250 nan 0.000 0.362 385 M N 2.028 121.729 119.600 0.168 0.000 2.300 385 M HA 0.376 4.855 4.480 -0.001 0.000 0.348 385 M C -0.804 175.616 176.300 0.199 0.000 1.151 385 M CA -0.993 54.445 55.300 0.231 0.000 1.046 385 M CB 1.287 34.058 32.600 0.284 0.000 1.647 385 M HN 0.541 nan 8.290 nan 0.000 0.451 386 V N 6.039 126.034 119.914 0.135 0.000 2.417 386 V HA 0.569 4.689 4.120 -0.001 0.000 0.291 386 V C -2.418 173.484 176.094 -0.321 0.000 1.024 386 V CA -2.152 60.106 62.300 -0.069 0.000 0.861 386 V CB 2.225 34.011 31.823 -0.062 0.000 0.985 386 V HN 0.602 nan 8.190 nan 0.000 0.436 387 P HA 0.281 nan 4.420 nan 0.000 0.268 387 P C -0.608 176.322 177.300 -0.617 0.000 1.205 387 P CA 0.338 62.863 63.100 -0.958 0.000 0.771 387 P CB 0.600 31.866 31.700 -0.722 0.000 0.858 388 T N -2.086 112.100 114.554 -0.613 0.000 2.887 388 T HA 0.399 4.748 4.350 -0.001 0.000 0.292 388 T C 0.776 175.283 174.700 -0.322 0.000 1.087 388 T CA -0.421 61.391 62.100 -0.481 0.000 1.009 388 T CB 1.044 69.489 68.868 -0.705 0.000 1.203 388 T HN 0.191 nan 8.240 nan 0.000 0.518 389 S N -0.710 114.850 115.700 -0.233 0.000 2.631 389 S HA 0.104 4.574 4.470 -0.001 0.000 0.217 389 S C 0.456 174.997 174.600 -0.098 0.000 0.958 389 S CA -0.217 57.898 58.200 -0.141 0.000 0.920 389 S CB -0.413 62.728 63.200 -0.098 0.000 0.776 389 S HN 0.749 nan 8.310 nan 0.000 0.517 390 D N 3.133 123.458 120.400 -0.125 0.000 2.608 390 D HA 0.089 4.729 4.640 -0.001 0.000 0.224 390 D C -0.390 175.897 176.300 -0.022 0.000 1.123 390 D CA -0.063 53.908 54.000 -0.049 0.000 1.030 390 D CB -0.320 40.462 40.800 -0.029 0.000 1.093 390 D HN -0.024 nan 8.370 nan 0.000 0.497 391 K N 1.324 121.713 120.400 -0.018 0.000 4.971 391 K HA -0.214 4.106 4.320 -0.001 0.000 0.296 391 K C 1.122 177.738 176.600 0.027 0.000 0.724 391 K CA 0.956 57.242 56.287 -0.001 0.000 0.844 391 K CB -1.527 30.977 32.500 0.006 0.000 1.993 391 K HN 0.745 nan 8.250 nan 0.000 0.384 392 G N 0.960 109.787 108.800 0.045 0.000 2.196 392 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.268 392 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.268 392 G C 0.110 175.171 174.900 0.268 0.000 0.975 392 G CA 0.589 45.777 45.100 0.148 0.000 0.648 392 G HN 0.450 nan 8.290 nan 0.000 0.538 393 R N -0.268 120.334 120.500 0.171 0.000 2.357 393 R HA 0.619 4.959 4.340 -0.001 0.000 0.296 393 R C -0.097 176.380 176.300 0.296 0.000 1.052 393 R CA -0.351 55.884 56.100 0.224 0.000 0.988 393 R CB 0.378 30.754 30.300 0.127 0.000 1.025 393 R HN 0.259 nan 8.270 nan 0.000 0.469 394 F N 2.013 121.925 119.950 -0.064 0.000 2.492 394 F HA 0.385 4.912 4.527 -0.001 0.000 0.327 394 F C -0.002 175.879 175.800 0.134 0.000 1.079 394 F CA -1.176 56.784 58.000 -0.066 0.000 0.967 394 F CB 1.350 40.332 39.000 -0.031 0.000 1.169 394 F HN 0.221 nan 8.300 nan 0.000 0.472 395 Y N 1.256 121.652 120.300 0.159 0.000 2.387 395 Y HA 0.560 5.110 4.550 -0.000 0.000 0.336 395 Y C 0.327 176.310 175.900 0.139 0.000 1.067 395 Y CA -2.214 55.956 58.100 0.118 0.000 1.114 395 Y CB 1.198 39.707 38.460 0.082 0.000 1.208 395 Y HN 0.582 nan 8.280 nan 0.000 0.458 396 A N 3.877 126.862 122.820 0.275 0.000 2.401 396 A HA 0.455 4.775 4.320 -0.001 0.000 0.259 396 A C -1.168 176.549 177.584 0.222 0.000 1.103 396 A CA -0.172 51.981 52.037 0.194 0.000 0.789 396 A CB -0.285 18.779 19.000 0.106 0.000 1.035 396 A HN 0.566 nan 8.150 nan 0.000 0.491 397 F N 2.287 122.273 119.950 0.060 0.000 2.495 397 F HA 0.708 5.235 4.527 -0.000 0.000 0.327 397 F C 0.388 176.200 175.800 0.020 0.000 1.103 397 F CA 0.408 58.434 58.000 0.045 0.000 0.949 397 F CB 1.693 40.720 39.000 0.046 0.000 1.142 397 F HN 0.911 nan 8.300 nan 0.000 0.457 398 G N 4.801 113.101 108.800 -0.833 0.000 2.494 398 G HA2 0.453 4.412 3.960 -0.001 0.000 0.308 398 G HA3 0.453 4.412 3.960 -0.001 0.000 0.308 398 G C -2.098 172.486 174.900 -0.528 0.000 1.263 398 G CA -1.160 43.587 45.100 -0.588 0.000 0.840 398 G HN 0.788 nan 8.290 nan 0.000 0.479 399 R N -0.538 119.805 120.500 -0.262 0.000 2.621 399 R HA 0.605 4.944 4.340 -0.001 0.000 0.284 399 R C -1.418 174.697 176.300 -0.309 0.000 0.998 399 R CA -0.560 55.327 56.100 -0.355 0.000 0.895 399 R CB 2.255 32.242 30.300 -0.523 0.000 1.195 399 R HN 0.393 nan 8.270 nan 0.000 0.450 400 V N 6.195 125.935 119.914 -0.290 0.000 2.372 400 V HA 0.181 4.300 4.120 -0.001 0.000 0.261 400 V C 0.292 176.246 176.094 -0.232 0.000 1.055 400 V CA 0.097 62.299 62.300 -0.162 0.000 0.930 400 V CB 0.555 32.313 31.823 -0.107 0.000 1.031 400 V HN 0.772 nan 8.190 nan 0.000 0.479 401 F N 2.811 122.752 119.950 -0.014 0.000 2.569 401 F HA 0.506 5.033 4.527 -0.001 0.000 0.295 401 F C 1.223 176.994 175.800 -0.049 0.000 1.115 401 F CA 0.743 58.723 58.000 -0.034 0.000 1.450 401 F CB 0.326 39.304 39.000 -0.036 0.000 1.107 401 F HN 0.567 nan 8.300 nan 0.000 0.563 402 A N -1.006 121.884 122.820 0.118 0.000 2.589 402 A HA 0.637 4.956 4.320 -0.001 0.000 0.296 402 A C 0.149 177.744 177.584 0.018 0.000 1.062 402 A CA -0.220 51.843 52.037 0.042 0.000 0.686 402 A CB 0.457 19.466 19.000 0.014 0.000 1.282 402 A HN 0.696 nan 8.150 nan 0.000 0.404 403 G N 0.017 108.817 108.800 0.000 0.000 2.632 403 G HA2 0.450 4.410 3.960 -0.001 0.000 0.224 403 G HA3 0.450 4.410 3.960 -0.001 0.000 0.224 403 G C 0.080 174.973 174.900 -0.012 0.000 1.341 403 G CA 0.351 45.447 45.100 -0.005 0.000 0.880 403 G HN 2.881 nan 8.290 nan 0.000 0.566 404 T N -3.612 110.934 114.554 -0.013 0.000 3.071 404 T HA 0.640 4.989 4.350 -0.001 0.000 0.311 404 T C -0.335 174.355 174.700 -0.018 0.000 1.042 404 T CA 0.265 62.353 62.100 -0.020 0.000 1.028 404 T CB 1.543 70.399 68.868 -0.021 0.000 1.068 404 T HN 2.087 nan 8.240 nan 0.000 0.451 405 V N 3.468 123.369 119.914 -0.022 0.000 2.649 405 V HA 0.670 4.790 4.120 -0.001 0.000 0.292 405 V C -0.567 175.515 176.094 -0.021 0.000 1.055 405 V CA -0.024 62.264 62.300 -0.020 0.000 1.023 405 V CB 0.819 32.628 31.823 -0.024 0.000 0.992 405 V HN 1.023 nan 8.190 nan 0.000 0.480 406 K N 3.837 124.225 120.400 -0.019 0.000 2.477 406 K HA 0.504 4.824 4.320 -0.001 0.000 0.255 406 K C -0.805 175.783 176.600 -0.019 0.000 0.952 406 K CA -0.621 55.654 56.287 -0.019 0.000 0.826 406 K CB 2.046 34.536 32.500 -0.016 0.000 1.331 406 K HN 0.549 nan 8.250 nan 0.000 0.437 407 S N 0.681 116.369 115.700 -0.019 0.000 2.516 407 S HA 0.304 4.773 4.470 -0.001 0.000 0.282 407 S C 0.934 175.525 174.600 -0.014 0.000 1.286 407 S CA 0.672 58.861 58.200 -0.019 0.000 1.066 407 S CB 0.548 63.737 63.200 -0.019 0.000 0.884 407 S HN 0.932 nan 8.310 nan 0.000 0.491 408 G N 2.366 111.160 108.800 -0.012 0.000 2.182 408 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.248 408 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.248 408 G C -0.162 174.732 174.900 -0.011 0.000 1.042 408 G CA 0.209 45.304 45.100 -0.008 0.000 0.775 408 G HN 0.735 nan 8.290 nan 0.000 0.501 409 Q N 0.194 119.985 119.800 -0.014 0.000 2.290 409 Q HA 0.483 4.823 4.340 -0.001 0.000 0.259 409 Q C 0.236 176.223 176.000 -0.021 0.000 0.941 409 Q CA -0.792 55.001 55.803 -0.016 0.000 0.912 409 Q CB 0.627 29.355 28.738 -0.016 0.000 1.244 409 Q HN 0.339 nan 8.270 nan 0.000 0.441 410 K N 2.482 122.869 120.400 -0.022 0.000 2.416 410 K HA 0.245 4.564 4.320 -0.001 0.000 0.283 410 K C -0.847 175.732 176.600 -0.035 0.000 1.037 410 K CA -0.060 56.208 56.287 -0.031 0.000 0.995 410 K CB 0.875 33.359 32.500 -0.028 0.000 0.938 410 K HN 0.379 nan 8.250 nan 0.000 0.475 411 V N 3.121 123.006 119.914 -0.049 0.000 3.130 411 V HA 0.389 4.509 4.120 -0.001 0.000 0.310 411 V C -0.579 175.470 176.094 -0.074 0.000 1.158 411 V CA -1.159 61.112 62.300 -0.049 0.000 1.029 411 V CB 2.292 34.093 31.823 -0.036 0.000 1.057 411 V HN 0.679 nan 8.190 nan 0.000 0.436 412 R N 1.866 122.319 120.500 -0.077 0.000 2.246 412 R HA 0.616 4.956 4.340 -0.001 0.000 0.332 412 R C -0.948 175.272 176.300 -0.134 0.000 0.974 412 R CA -0.296 55.728 56.100 -0.126 0.000 0.837 412 R CB 1.108 31.323 30.300 -0.142 0.000 1.145 412 R HN 0.568 nan 8.270 nan 0.000 0.467 413 I N 4.092 124.598 120.570 -0.108 0.000 2.301 413 I HA 0.099 4.269 4.170 -0.001 0.000 0.292 413 I C 0.098 176.174 176.117 -0.068 0.000 1.046 413 I CA -0.165 61.123 61.300 -0.020 0.000 1.282 413 I CB 0.985 39.044 38.000 0.099 0.000 1.409 413 I HN 0.385 nan 8.210 nan 0.000 0.484 414 Q N 5.518 125.244 119.800 -0.123 0.000 2.333 414 Q HA 0.482 4.821 4.340 -0.001 0.000 0.265 414 Q C 0.297 176.347 176.000 0.084 0.000 0.989 414 Q CA -0.640 55.049 55.803 -0.191 0.000 0.842 414 Q CB 2.265 30.821 28.738 -0.304 0.000 1.262 414 Q HN 0.784 nan 8.270 nan 0.000 0.451 415 G N 2.191 111.105 108.800 0.190 0.000 2.553 415 G HA2 0.182 4.142 3.960 -0.001 0.000 0.278 415 G HA3 0.182 4.142 3.960 -0.001 0.000 0.278 415 G C -1.802 173.212 174.900 0.189 0.000 1.349 415 G CA -1.239 43.987 45.100 0.210 0.000 1.037 415 G HN 0.381 nan 8.290 nan 0.000 0.508 416 P HA -0.011 nan 4.420 nan 0.000 0.231 416 P C 0.894 178.289 177.300 0.160 0.000 1.158 416 P CA 0.895 64.104 63.100 0.183 0.000 0.763 416 P CB 0.259 32.104 31.700 0.242 0.000 0.805 417 N N -3.138 115.655 118.700 0.155 0.000 2.210 417 N HA 0.010 4.750 4.740 -0.001 0.000 0.203 417 N C 0.153 175.697 175.510 0.058 0.000 1.175 417 N CA -0.230 52.880 53.050 0.100 0.000 0.894 417 N CB -0.045 38.507 38.487 0.108 0.000 1.041 417 N HN 0.162 nan 8.380 nan 0.000 0.506 418 Y N 2.510 122.803 120.300 -0.012 0.000 2.810 418 Y HA 0.051 4.600 4.550 -0.001 0.000 0.332 418 Y C -0.207 175.633 175.900 -0.101 0.000 1.243 418 Y CA 0.381 58.450 58.100 -0.053 0.000 1.537 418 Y CB 0.433 38.868 38.460 -0.042 0.000 1.265 418 Y HN -0.302 nan 8.280 nan 0.000 0.572 419 V N 9.167 128.530 119.914 -0.919 0.000 2.709 419 V HA 0.210 4.330 4.120 -0.001 0.000 0.308 419 V C -1.698 173.839 176.094 -0.927 0.000 1.062 419 V CA -1.760 60.126 62.300 -0.689 0.000 0.901 419 V CB 1.858 33.477 31.823 -0.340 0.000 1.003 419 V HN 0.645 nan 8.190 nan 0.000 0.425 420 P HA -0.252 nan 4.420 nan 0.000 0.219 420 P C 1.527 178.713 177.300 -0.189 0.000 1.159 420 P CA 2.408 65.387 63.100 -0.203 0.000 0.944 420 P CB 0.151 31.859 31.700 0.014 0.000 0.792 421 G N -0.369 108.338 108.800 -0.156 0.000 2.434 421 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.214 421 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.214 421 G C 0.351 175.174 174.900 -0.128 0.000 1.202 421 G CA 0.461 45.497 45.100 -0.106 0.000 0.788 421 G HN 0.294 nan 8.290 nan 0.000 0.539 422 K N 0.573 120.864 120.400 -0.181 0.000 2.326 422 K HA 0.219 4.538 4.320 -0.001 0.000 0.275 422 K C 0.247 176.742 176.600 -0.176 0.000 1.018 422 K CA -0.264 55.931 56.287 -0.153 0.000 0.962 422 K CB 1.565 33.979 32.500 -0.144 0.000 0.953 422 K HN 0.075 nan 8.250 nan 0.000 0.475 423 K N 2.777 123.133 120.400 -0.072 0.000 2.745 423 K HA -0.025 4.295 4.320 -0.001 0.000 0.223 423 K C -0.903 175.689 176.600 -0.012 0.000 1.057 423 K CA -0.150 56.136 56.287 -0.000 0.000 1.217 423 K CB -0.331 32.162 32.500 -0.012 0.000 0.993 423 K HN 0.567 nan 8.250 nan 0.000 0.478 424 D N 0.049 120.432 120.400 -0.029 0.000 2.325 424 D HA 0.088 4.727 4.640 -0.001 0.000 0.251 424 D C -0.174 176.177 176.300 0.085 0.000 1.196 424 D CA -0.291 53.705 54.000 -0.007 0.000 0.866 424 D CB 0.937 41.724 40.800 -0.021 0.000 1.101 424 D HN 0.066 nan 8.370 nan 0.000 0.476 425 D N -0.116 120.268 120.400 -0.027 0.000 2.981 425 D HA -0.173 4.467 4.640 -0.001 0.000 0.203 425 D C -0.344 175.722 176.300 -0.390 0.000 1.049 425 D CA 0.208 54.197 54.000 -0.018 0.000 1.003 425 D CB -0.776 40.158 40.800 0.224 0.000 1.085 425 D HN 0.403 nan 8.370 nan 0.000 0.432 426 L N 0.513 121.439 121.223 -0.494 0.000 2.397 426 L HA 0.471 4.811 4.340 -0.001 0.000 0.271 426 L C -0.741 175.497 176.870 -1.054 0.000 1.148 426 L CA 0.343 54.827 54.840 -0.592 0.000 0.825 426 L CB 0.313 42.253 42.059 -0.198 0.000 1.117 426 L HN -0.067 nan 8.230 nan 0.000 0.456 427 F N 5.765 125.610 119.950 -0.175 0.000 2.915 427 F HA 0.394 4.920 4.527 -0.000 0.000 0.350 427 F C -0.444 175.167 175.800 -0.315 0.000 1.248 427 F CA -0.520 57.340 58.000 -0.234 0.000 1.084 427 F CB 0.814 39.668 39.000 -0.244 0.000 1.391 427 F HN 0.185 nan 8.300 nan 0.000 0.548 428 I N 4.085 124.569 120.570 -0.144 0.000 2.291 428 I HA 0.381 4.551 4.170 -0.001 0.000 0.290 428 I C -0.139 175.856 176.117 -0.203 0.000 1.050 428 I CA -0.317 60.892 61.300 -0.153 0.000 1.245 428 I CB 1.029 38.968 38.000 -0.102 0.000 1.405 428 I HN 0.411 nan 8.210 nan 0.000 0.478 429 K N 4.269 124.525 120.400 -0.239 0.000 2.466 429 K HA 0.798 5.118 4.320 -0.001 0.000 0.260 429 K C -1.096 175.438 176.600 -0.110 0.000 1.011 429 K CA -0.691 55.460 56.287 -0.227 0.000 0.871 429 K CB 2.119 34.345 32.500 -0.457 0.000 1.404 429 K HN 0.491 nan 8.250 nan 0.000 0.450 430 A N 2.064 124.851 122.820 -0.054 0.000 2.260 430 A HA 0.471 4.790 4.320 -0.001 0.000 0.308 430 A C -0.324 177.259 177.584 -0.002 0.000 1.254 430 A CA -0.568 51.455 52.037 -0.023 0.000 0.874 430 A CB -0.376 18.619 19.000 -0.010 0.000 1.153 430 A HN 0.690 nan 8.150 nan 0.000 0.527 431 I N 3.191 123.756 120.570 -0.007 0.000 2.752 431 I HA -0.134 4.035 4.170 -0.001 0.000 0.286 431 I C 1.492 177.609 176.117 -0.000 0.000 1.180 431 I CA 0.385 61.686 61.300 0.001 0.000 1.404 431 I CB 0.552 38.546 38.000 -0.011 0.000 1.389 431 I HN 0.872 nan 8.210 nan 0.000 0.549 432 Q N 4.321 124.126 119.800 0.008 0.000 2.124 432 Q HA -0.079 4.261 4.340 -0.001 0.000 0.202 432 Q C 0.443 176.429 176.000 -0.024 0.000 0.977 432 Q CA 1.209 57.012 55.803 0.001 0.000 0.850 432 Q CB 0.161 28.906 28.738 0.012 0.000 0.901 432 Q HN 0.465 nan 8.270 nan 0.000 0.429 433 R N -1.124 119.346 120.500 -0.049 0.000 2.736 433 R HA 0.263 4.602 4.340 -0.001 0.000 0.250 433 R C -2.192 174.056 176.300 -0.087 0.000 1.098 433 R CA -0.185 55.876 56.100 -0.066 0.000 0.978 433 R CB 1.428 31.678 30.300 -0.082 0.000 1.263 433 R HN -0.131 nan 8.270 nan 0.000 0.460 434 V N 4.686 124.562 119.914 -0.063 0.000 2.427 434 V HA 0.708 4.828 4.120 -0.001 0.000 0.286 434 V C -0.256 175.805 176.094 -0.054 0.000 1.034 434 V CA -0.493 61.773 62.300 -0.057 0.000 0.893 434 V CB 1.483 33.284 31.823 -0.037 0.000 0.982 434 V HN 0.599 nan 8.190 nan 0.000 0.452 435 V N 3.259 123.142 119.914 -0.052 0.000 2.876 435 V HA 0.656 4.775 4.120 -0.001 0.000 0.312 435 V C -0.611 175.502 176.094 0.031 0.000 1.085 435 V CA -1.033 61.256 62.300 -0.018 0.000 0.945 435 V CB 1.891 33.687 31.823 -0.045 0.000 1.017 435 V HN 0.633 nan 8.190 nan 0.000 0.428 436 L N 4.198 125.453 121.223 0.053 0.000 2.380 436 L HA 0.453 4.793 4.340 -0.001 0.000 0.273 436 L C 0.221 177.162 176.870 0.118 0.000 1.138 436 L CA -0.222 54.667 54.840 0.081 0.000 0.832 436 L CB 0.999 43.105 42.059 0.078 0.000 1.124 436 L HN 0.539 nan 8.230 nan 0.000 0.454 437 M N 5.138 124.828 119.600 0.150 0.000 2.289 437 M HA 0.292 4.772 4.480 -0.001 0.000 0.354 437 M C -0.662 175.714 176.300 0.127 0.000 1.210 437 M CA -0.070 55.327 55.300 0.161 0.000 1.174 437 M CB 0.810 33.547 32.600 0.228 0.000 1.297 437 M HN 0.490 nan 8.290 nan 0.000 0.423 438 M N 2.310 121.987 119.600 0.129 0.000 2.852 438 M HA 0.337 4.817 4.480 -0.001 0.000 0.321 438 M C 1.105 177.470 176.300 0.108 0.000 1.337 438 M CA 0.020 55.398 55.300 0.130 0.000 1.406 438 M CB -0.621 32.076 32.600 0.162 0.000 1.152 438 M HN 0.901 nan 8.290 nan 0.000 0.508 439 G N 3.632 112.449 108.800 0.028 0.000 2.565 439 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.295 439 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.295 439 G C 0.707 175.509 174.900 -0.163 0.000 1.165 439 G CA 0.101 45.169 45.100 -0.053 0.000 0.977 439 G HN 0.673 nan 8.290 nan 0.000 0.546 440 R N -0.002 120.276 120.500 -0.371 0.000 2.334 440 R HA 0.364 4.703 4.340 -0.001 0.000 0.220 440 R C -0.102 175.785 176.300 -0.689 0.000 0.917 440 R CA 0.178 55.928 56.100 -0.582 0.000 1.073 440 R CB 0.037 29.878 30.300 -0.765 0.000 1.056 440 R HN 0.223 nan 8.270 nan 0.000 0.506 441 F N -0.098 119.852 119.950 0.000 0.000 2.579 441 F HA 0.429 4.956 4.527 -0.001 0.000 0.324 441 F C 0.289 176.121 175.800 0.053 0.000 1.058 441 F CA -1.583 56.430 58.000 0.022 0.000 0.944 441 F CB 1.352 40.361 39.000 0.015 0.000 1.245 441 F HN -0.342 nan 8.300 nan 0.000 0.477 442 V N -0.895 119.186 119.914 0.278 0.000 2.914 442 V HA 0.890 5.010 4.120 -0.001 0.000 0.314 442 V C -1.380 174.802 176.094 0.148 0.000 1.084 442 V CA -0.785 61.635 62.300 0.200 0.000 0.963 442 V CB 1.898 33.859 31.823 0.230 0.000 1.025 442 V HN 0.765 nan 8.190 nan 0.000 0.432 443 E N 3.387 123.647 120.200 0.101 0.000 2.283 443 E HA 0.605 4.955 4.350 -0.001 0.000 0.258 443 E C -3.019 173.603 176.600 0.036 0.000 0.893 443 E CA -2.021 54.417 56.400 0.063 0.000 0.798 443 E CB 2.331 32.067 29.700 0.060 0.000 1.242 443 E HN 0.652 nan 8.360 nan 0.000 0.414 444 P HA 0.123 nan 4.420 nan 0.000 0.265 444 P C -0.711 176.589 177.300 0.000 0.000 1.187 444 P CA 0.217 63.316 63.100 -0.002 0.000 0.766 444 P CB 0.478 32.175 31.700 -0.005 0.000 0.820 445 I N 1.682 122.247 120.570 -0.008 0.000 2.722 445 I HA 0.189 4.358 4.170 -0.001 0.000 0.295 445 I C 0.599 176.708 176.117 -0.014 0.000 1.161 445 I CA -0.737 60.559 61.300 -0.007 0.000 1.032 445 I CB 2.263 40.261 38.000 -0.003 0.000 1.244 445 I HN 0.215 nan 8.210 nan 0.000 0.421 446 D N 3.426 123.817 120.400 -0.014 0.000 2.092 446 D HA -0.108 4.532 4.640 -0.001 0.000 0.193 446 D C -0.271 176.018 176.300 -0.018 0.000 0.994 446 D CA 1.870 55.861 54.000 -0.016 0.000 0.828 446 D CB 0.071 40.862 40.800 -0.015 0.000 0.963 446 D HN 0.757 nan 8.370 nan 0.000 0.450 447 D N -2.342 118.046 120.400 -0.019 0.000 2.664 447 D HA 0.358 4.998 4.640 -0.001 0.000 0.292 447 D C -1.283 175.003 176.300 -0.024 0.000 1.214 447 D CA -0.897 53.090 54.000 -0.022 0.000 0.932 447 D CB 1.752 42.540 40.800 -0.021 0.000 1.420 447 D HN 0.042 nan 8.370 nan 0.000 0.471 448 C N 1.526 120.810 119.300 -0.027 0.000 2.727 448 C HA 0.611 5.071 4.460 -0.001 0.000 0.369 448 C C -2.798 172.170 174.990 -0.037 0.000 1.067 448 C CA -1.049 57.949 59.018 -0.032 0.000 1.273 448 C CB 0.780 28.498 27.740 -0.037 0.000 1.778 448 C HN 0.551 nan 8.230 nan 0.000 0.467 449 P HA 0.310 nan 4.420 nan 0.000 0.274 449 P C -0.169 177.101 177.300 -0.050 0.000 1.246 449 P CA 0.169 63.247 63.100 -0.038 0.000 0.795 449 P CB 0.774 32.454 31.700 -0.034 0.000 1.006 450 A N 0.649 123.443 122.820 -0.043 0.000 2.565 450 A HA 0.377 4.697 4.320 -0.001 0.000 0.237 450 A C 1.441 178.984 177.584 -0.069 0.000 1.053 450 A CA 1.032 53.038 52.037 -0.051 0.000 0.755 450 A CB -1.606 17.382 19.000 -0.021 0.000 0.980 450 A HN 0.903 nan 8.150 nan 0.000 0.506 451 G N 2.098 110.827 108.800 -0.119 0.000 2.218 451 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.216 451 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.216 451 G C 0.059 174.873 174.900 -0.142 0.000 0.994 451 G CA 0.253 45.279 45.100 -0.123 0.000 0.637 451 G HN 0.921 nan 8.290 nan 0.000 0.505 452 N N -0.302 118.314 118.700 -0.141 0.000 2.485 452 N HA 0.753 5.492 4.740 -0.001 0.000 0.280 452 N C -0.262 175.150 175.510 -0.164 0.000 1.205 452 N CA -0.511 52.469 53.050 -0.116 0.000 0.959 452 N CB 1.538 39.984 38.487 -0.069 0.000 1.206 452 N HN 0.221 nan 8.380 nan 0.000 0.545 453 I N 1.060 121.561 120.570 -0.115 0.000 2.437 453 I HA 0.506 4.676 4.170 -0.001 0.000 0.298 453 I C -0.675 175.379 176.117 -0.104 0.000 0.984 453 I CA -0.447 60.759 61.300 -0.157 0.000 1.214 453 I CB 1.067 39.034 38.000 -0.056 0.000 1.365 453 I HN 0.403 nan 8.210 nan 0.000 0.469 454 I N 3.318 123.783 120.570 -0.175 0.000 3.149 454 I HA 0.670 4.839 4.170 -0.001 0.000 0.310 454 I C -0.816 175.276 176.117 -0.041 0.000 1.343 454 I CA -0.180 61.084 61.300 -0.061 0.000 0.955 454 I CB 2.308 40.269 38.000 -0.065 0.000 1.309 454 I HN 0.508 nan 8.210 nan 0.000 0.478 455 G N 3.909 112.739 108.800 0.050 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 -1.870 173.027 174.900 -0.005 0.000 1.203 455 G CA -0.585 44.571 45.100 0.094 0.000 0.954 455 G HN 0.567 nan 8.290 nan 0.000 0.480 456 L N 1.589 122.808 121.223 -0.007 0.000 2.381 456 L HA 0.571 4.911 4.340 -0.001 0.000 0.274 456 L C -0.285 176.515 176.870 -0.116 0.000 0.988 456 L CA -1.198 53.606 54.840 -0.060 0.000 0.824 456 L CB 2.091 44.143 42.059 -0.013 0.000 1.263 456 L HN 0.385 nan 8.230 nan 0.000 0.410 457 V N 2.814 122.584 119.914 -0.240 0.000 2.483 457 V HA 0.833 4.953 4.120 -0.001 0.000 0.295 457 V C 0.731 176.792 176.094 -0.055 0.000 1.035 457 V CA 0.860 62.987 62.300 -0.289 0.000 0.896 457 V CB 1.218 32.669 31.823 -0.619 0.000 0.986 457 V HN 0.973 nan 8.190 nan 0.000 0.447 458 G N 5.474 114.304 108.800 0.050 0.000 2.184 458 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.206 458 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.206 458 G C 0.313 175.292 174.900 0.133 0.000 0.995 458 G CA 0.169 45.318 45.100 0.082 0.000 0.651 458 G HN 0.730 nan 8.290 nan 0.000 0.511 459 I N 1.445 122.090 120.570 0.124 0.000 3.728 459 I HA 0.141 4.311 4.170 -0.001 0.000 0.307 459 I C 2.008 178.157 176.117 0.054 0.000 1.276 459 I CA 0.827 62.229 61.300 0.170 0.000 1.285 459 I CB -0.918 37.155 38.000 0.121 0.000 1.038 459 I HN 0.106 nan 8.210 nan 0.000 0.445 460 D N 2.138 122.535 120.400 -0.004 0.000 2.865 460 D HA -0.345 4.294 4.640 -0.001 0.000 0.271 460 D C 2.102 178.252 176.300 -0.250 0.000 1.158 460 D CA 2.546 56.486 54.000 -0.100 0.000 1.048 460 D CB -0.606 40.132 40.800 -0.104 0.000 1.380 460 D HN 0.554 nan 8.370 nan 0.000 0.520 461 Q N -0.187 119.356 119.800 -0.428 0.000 2.135 461 Q HA -0.182 4.157 4.340 -0.001 0.000 0.204 461 Q C 2.024 177.688 176.000 -0.561 0.000 0.981 461 Q CA 1.435 56.921 55.803 -0.528 0.000 0.856 461 Q CB -0.587 27.759 28.738 -0.655 0.000 0.902 461 Q HN 0.362 nan 8.270 nan 0.000 0.425 462 F N 0.390 120.129 119.950 -0.351 0.000 2.451 462 F HA 0.167 4.694 4.527 -0.000 0.000 0.299 462 F C 0.710 176.182 175.800 -0.546 0.000 1.101 462 F CA 0.361 57.968 58.000 -0.655 0.000 1.436 462 F CB -0.108 38.617 39.000 -0.459 0.000 1.074 462 F HN 0.121 nan 8.300 nan 0.000 0.553 463 L N -0.831 120.307 121.223 -0.142 0.000 2.518 463 L HA 0.645 4.985 4.340 -0.001 0.000 0.257 463 L C -1.591 175.234 176.870 -0.075 0.000 0.980 463 L CA -0.902 53.897 54.840 -0.068 0.000 0.837 463 L CB 2.151 44.217 42.059 0.011 0.000 1.410 463 L HN -0.168 nan 8.230 nan 0.000 0.410 464 L N 4.319 125.516 121.223 -0.044 0.000 2.528 464 L HA 0.545 4.885 4.340 -0.001 0.000 0.267 464 L C -0.283 176.586 176.870 -0.001 0.000 0.961 464 L CA -0.700 54.111 54.840 -0.047 0.000 0.866 464 L CB 1.827 43.835 42.059 -0.085 0.000 1.248 464 L HN 0.768 nan 8.230 nan 0.000 0.404 465 K N -0.434 119.978 120.400 0.021 0.000 4.374 465 K HA -0.146 4.173 4.320 -0.001 0.000 0.507 465 K C -0.012 176.598 176.600 0.016 0.000 1.823 465 K CA 0.994 57.305 56.287 0.041 0.000 0.896 465 K CB -0.889 31.643 32.500 0.052 0.000 1.416 465 K HN 0.782 nan 8.250 nan 0.000 0.485 466 T N -0.552 114.013 114.554 0.018 0.000 2.856 466 T HA 0.516 4.866 4.350 -0.001 0.000 0.306 466 T C 0.589 175.270 174.700 -0.033 0.000 1.062 466 T CA 0.232 62.296 62.100 -0.060 0.000 1.083 466 T CB 1.318 70.198 68.868 0.020 0.000 0.984 466 T HN 0.908 nan 8.240 nan 0.000 0.542 467 G N 0.163 108.895 108.800 -0.113 0.000 2.490 467 G HA2 0.584 4.543 3.960 -0.001 0.000 0.308 467 G HA3 0.584 4.543 3.960 -0.001 0.000 0.308 467 G C -1.346 173.575 174.900 0.035 0.000 1.286 467 G CA -0.780 44.322 45.100 0.004 0.000 0.825 467 G HN 0.902 nan 8.290 nan 0.000 0.479 468 T N 0.166 114.770 114.554 0.082 0.000 3.105 468 T HA 0.525 4.874 4.350 -0.001 0.000 0.321 468 T C -1.482 173.257 174.700 0.065 0.000 1.135 468 T CA -0.369 61.806 62.100 0.125 0.000 1.053 468 T CB 1.609 70.584 68.868 0.179 0.000 1.133 468 T HN 0.391 nan 8.240 nan 0.000 0.463 469 L N 3.766 125.031 121.223 0.069 0.000 2.305 469 L HA 0.747 5.087 4.340 -0.001 0.000 0.284 469 L C 0.662 177.555 176.870 0.038 0.000 1.013 469 L CA -0.222 54.636 54.840 0.030 0.000 0.819 469 L CB 1.536 43.608 42.059 0.022 0.000 1.227 469 L HN 0.918 nan 8.230 nan 0.000 0.417 470 T N -2.149 112.411 114.554 0.010 0.000 2.901 470 T HA 0.448 4.798 4.350 -0.001 0.000 0.293 470 T C 0.222 174.922 174.700 0.001 0.000 1.084 470 T CA -0.462 61.652 62.100 0.023 0.000 1.008 470 T CB 1.846 70.743 68.868 0.049 0.000 1.170 470 T HN 0.321 nan 8.240 nan 0.000 0.509 471 T N 0.485 115.045 114.554 0.010 0.000 3.182 471 T HA 0.398 4.747 4.350 -0.001 0.000 0.277 471 T C -0.023 174.684 174.700 0.011 0.000 1.013 471 T CA -0.248 61.853 62.100 0.001 0.000 0.900 471 T CB -0.386 68.481 68.868 -0.001 0.000 1.098 471 T HN 0.751 nan 8.240 nan 0.000 0.543 472 S N 0.532 116.248 115.700 0.027 0.000 2.519 472 S HA 0.370 4.840 4.470 -0.001 0.000 0.309 472 S C 0.845 175.483 174.600 0.064 0.000 1.100 472 S CA -0.615 57.611 58.200 0.043 0.000 1.059 472 S CB 1.686 64.918 63.200 0.054 0.000 1.008 472 S HN 0.485 nan 8.310 nan 0.000 0.478 473 E N 2.840 123.076 120.200 0.059 0.000 2.204 473 E HA -0.100 4.250 4.350 -0.001 0.000 0.194 473 E C 0.775 177.442 176.600 0.112 0.000 0.989 473 E CA 1.307 57.754 56.400 0.078 0.000 0.824 473 E CB 0.068 29.800 29.700 0.054 0.000 0.756 473 E HN 0.742 nan 8.360 nan 0.000 0.477 474 T N 0.511 115.127 114.554 0.104 0.000 3.081 474 T HA 0.216 4.565 4.350 -0.001 0.000 0.255 474 T C 0.474 175.287 174.700 0.189 0.000 1.113 474 T CA 0.371 62.544 62.100 0.122 0.000 1.082 474 T CB 0.215 69.137 68.868 0.091 0.000 0.939 474 T HN 0.246 nan 8.240 nan 0.000 0.506 475 A N 1.969 124.905 122.820 0.194 0.000 2.561 475 A HA 0.182 4.501 4.320 -0.001 0.000 0.251 475 A C 0.159 177.956 177.584 0.355 0.000 1.062 475 A CA 0.191 52.388 52.037 0.266 0.000 0.761 475 A CB -0.302 18.808 19.000 0.183 0.000 0.986 475 A HN 0.514 nan 8.150 nan 0.000 0.510 476 H N 2.102 121.374 119.070 0.337 0.000 2.505 476 H HA 0.334 4.890 4.556 -0.001 0.000 0.358 476 H C 0.400 175.848 175.328 0.200 0.000 1.304 476 H CA -0.268 55.856 56.048 0.126 0.000 1.393 476 H CB 0.599 30.187 29.762 -0.290 0.000 1.591 476 H HN 0.714 nan 8.280 nan 0.000 0.595 477 N N 1.691 120.253 118.700 -0.229 0.000 2.479 477 N HA 0.106 4.846 4.740 -0.001 0.000 0.285 477 N C -0.585 174.964 175.510 0.064 0.000 1.075 477 N CA -0.240 52.805 53.050 -0.008 0.000 0.967 477 N CB 0.759 39.212 38.487 -0.057 0.000 1.137 477 N HN 0.518 nan 8.380 nan 0.000 0.472 478 M N 1.542 121.256 119.600 0.190 0.000 2.245 478 M HA 0.034 4.513 4.480 -0.001 0.000 0.344 478 M C 0.824 177.169 176.300 0.075 0.000 1.170 478 M CA 0.051 55.438 55.300 0.146 0.000 1.135 478 M CB 0.426 33.093 32.600 0.111 0.000 1.574 478 M HN 0.343 nan 8.290 nan 0.000 0.452 479 K N 2.662 123.053 120.400 -0.016 0.000 2.386 479 K HA -0.055 4.265 4.320 -0.001 0.000 0.255 479 K C -0.878 175.768 176.600 0.076 0.000 1.134 479 K CA 0.002 56.282 56.287 -0.011 0.000 1.203 479 K CB -0.107 32.353 32.500 -0.067 0.000 0.768 479 K HN 0.513 nan 8.250 nan 0.000 0.501 480 V N 2.499 122.456 119.914 0.072 0.000 2.713 480 V HA 0.415 4.534 4.120 -0.001 0.000 0.307 480 V C 0.399 176.541 176.094 0.080 0.000 1.052 480 V CA -1.290 61.078 62.300 0.114 0.000 0.967 480 V CB 1.642 33.511 31.823 0.077 0.000 1.019 480 V HN 0.590 nan 8.190 nan 0.000 0.459 481 M N 3.066 122.746 119.600 0.134 0.000 2.238 481 M HA 0.287 4.766 4.480 -0.001 0.000 0.350 481 M C 0.142 176.454 176.300 0.020 0.000 1.321 481 M CA 0.485 55.866 55.300 0.135 0.000 1.097 481 M CB 0.128 32.857 32.600 0.214 0.000 1.713 481 M HN 0.752 nan 8.290 nan 0.000 0.455 482 K N 4.217 124.630 120.400 0.021 0.000 2.234 482 K HA 0.537 4.857 4.320 -0.001 0.000 0.282 482 K C -0.814 175.809 176.600 0.038 0.000 1.039 482 K CA -0.265 55.901 56.287 -0.203 0.000 0.928 482 K CB 0.536 32.985 32.500 -0.084 0.000 1.039 482 K HN 0.414 nan 8.250 nan 0.000 0.470 483 F N -1.326 118.621 119.950 -0.005 0.000 2.563 483 F HA 0.426 4.952 4.527 -0.001 0.000 0.316 483 F C 0.231 176.058 175.800 0.045 0.000 1.076 483 F CA -1.624 56.464 58.000 0.148 0.000 0.921 483 F CB 1.047 40.089 39.000 0.071 0.000 1.209 483 F HN 0.404 nan 8.300 nan 0.000 0.462 484 S N 0.599 116.628 115.700 0.550 0.000 2.568 484 S HA 0.381 4.851 4.470 -0.001 0.000 0.282 484 S C 0.411 175.165 174.600 0.258 0.000 1.338 484 S CA 0.155 58.592 58.200 0.396 0.000 1.045 484 S CB 0.678 64.090 63.200 0.354 0.000 0.873 484 S HN 1.434 nan 8.310 nan 0.000 0.516 485 V N 1.039 121.047 119.914 0.157 0.000 3.199 485 V HA 0.490 4.610 4.120 -0.001 0.000 0.331 485 V C -0.047 176.087 176.094 0.067 0.000 1.446 485 V CA -0.429 61.933 62.300 0.104 0.000 1.120 485 V CB -0.016 31.865 31.823 0.098 0.000 1.051 485 V HN 0.539 nan 8.190 nan 0.000 0.495 486 S N 2.210 117.962 115.700 0.086 0.000 2.482 486 S HA 0.652 5.122 4.470 -0.001 0.000 0.303 486 S C -2.797 171.856 174.600 0.089 0.000 1.091 486 S CA -1.041 57.201 58.200 0.070 0.000 1.057 486 S CB 1.966 65.202 63.200 0.060 0.000 1.031 486 S HN 0.223 nan 8.310 nan 0.000 0.485 487 P HA 0.083 nan 4.420 nan 0.000 0.226 487 P C 0.934 178.298 177.300 0.107 0.000 1.783 487 P CA -0.139 63.034 63.100 0.122 0.000 0.980 487 P CB -0.536 31.242 31.700 0.129 0.000 1.967 488 V N -1.747 118.226 119.914 0.099 0.000 3.129 488 V HA 0.017 4.136 4.120 -0.001 0.000 0.259 488 V C 0.759 176.928 176.094 0.125 0.000 1.116 488 V CA 0.592 62.938 62.300 0.077 0.000 1.127 488 V CB -0.455 31.415 31.823 0.079 0.000 0.742 488 V HN -0.049 nan 8.190 nan 0.000 0.474 489 V N 3.124 123.126 119.914 0.146 0.000 2.364 489 V HA 0.470 4.590 4.120 -0.001 0.000 0.272 489 V C -0.289 175.895 176.094 0.149 0.000 1.036 489 V CA -0.285 62.109 62.300 0.156 0.000 0.880 489 V CB 0.642 32.548 31.823 0.137 0.000 0.991 489 V HN 0.655 nan 8.190 nan 0.000 0.460 490 Q N 3.996 123.901 119.800 0.175 0.000 2.372 490 Q HA 0.847 5.186 4.340 -0.001 0.000 0.273 490 Q C -1.076 174.974 176.000 0.084 0.000 1.078 490 Q CA -0.881 55.006 55.803 0.141 0.000 0.806 490 Q CB 3.171 32.032 28.738 0.206 0.000 1.332 490 Q HN 0.654 nan 8.270 nan 0.000 0.435 491 V N -2.526 117.395 119.914 0.012 0.000 3.130 491 V HA 0.971 5.090 4.120 -0.001 0.000 0.310 491 V C -0.959 175.096 176.094 -0.065 0.000 1.158 491 V CA -1.129 61.145 62.300 -0.045 0.000 1.029 491 V CB 1.651 33.451 31.823 -0.038 0.000 1.057 491 V HN 0.890 nan 8.190 nan 0.000 0.436 492 A N 1.774 124.547 122.820 -0.079 0.000 2.309 492 A HA 0.825 5.144 4.320 -0.001 0.000 0.298 492 A C -0.426 177.138 177.584 -0.034 0.000 1.165 492 A CA -0.551 51.449 52.037 -0.063 0.000 0.821 492 A CB 0.977 19.938 19.000 -0.065 0.000 1.102 492 A HN 1.444 nan 8.150 nan 0.000 0.500 493 V N 2.603 122.513 119.914 -0.006 0.000 2.487 493 V HA 0.572 4.691 4.120 -0.001 0.000 0.298 493 V C -0.101 176.012 176.094 0.033 0.000 1.028 493 V CA -0.439 61.862 62.300 0.003 0.000 0.860 493 V CB 1.378 33.194 31.823 -0.011 0.000 0.991 493 V HN 1.030 nan 8.190 nan 0.000 0.427 494 E N 3.049 123.259 120.200 0.016 0.000 2.340 494 E HA 0.636 4.986 4.350 -0.001 0.000 0.273 494 E C -1.053 175.550 176.600 0.005 0.000 0.891 494 E CA -0.776 55.642 56.400 0.030 0.000 0.757 494 E CB 2.699 32.420 29.700 0.036 0.000 1.231 494 E HN 0.606 nan 8.360 nan 0.000 0.439 495 V N 1.633 121.548 119.914 0.001 0.000 2.686 495 V HA 0.258 4.378 4.120 -0.001 0.000 0.295 495 V C 0.829 176.923 176.094 0.000 0.000 1.055 495 V CA -0.168 62.127 62.300 -0.008 0.000 1.050 495 V CB 1.277 33.092 31.823 -0.015 0.000 0.984 495 V HN 0.789 nan 8.190 nan 0.000 0.482 496 K N 1.980 122.378 120.400 -0.003 0.000 2.288 496 K HA 0.026 4.346 4.320 -0.001 0.000 0.201 496 K C 0.753 177.354 176.600 0.001 0.000 1.048 496 K CA 0.809 57.096 56.287 0.000 0.000 0.956 496 K CB 0.026 32.526 32.500 -0.001 0.000 0.746 496 K HN 0.791 nan 8.250 nan 0.000 0.461 497 N N 0.310 119.009 118.700 -0.002 0.000 2.518 497 N HA 0.159 4.898 4.740 -0.001 0.000 0.254 497 N C 0.313 175.822 175.510 -0.001 0.000 0.979 497 N CA 0.024 53.074 53.050 -0.001 0.000 0.930 497 N CB 1.544 40.028 38.487 -0.005 0.000 1.152 497 N HN -0.006 nan 8.380 nan 0.000 0.505 498 A N 4.263 127.086 122.820 0.004 0.000 1.944 498 A HA -0.284 4.036 4.320 -0.001 0.000 0.222 498 A C 1.733 179.319 177.584 0.003 0.000 1.237 498 A CA 1.700 53.741 52.037 0.007 0.000 0.668 498 A CB -0.466 18.539 19.000 0.010 0.000 0.830 498 A HN 0.815 nan 8.150 nan 0.000 0.471 499 N N 0.266 118.965 118.700 -0.000 0.000 2.348 499 N HA -0.120 4.620 4.740 -0.001 0.000 0.185 499 N C 0.483 175.989 175.510 -0.008 0.000 1.019 499 N CA 1.401 54.449 53.050 -0.003 0.000 0.880 499 N CB -0.381 38.104 38.487 -0.004 0.000 0.965 499 N HN 0.540 nan 8.380 nan 0.000 0.437 500 D N 0.728 121.122 120.400 -0.011 0.000 2.349 500 D HA 0.057 4.696 4.640 -0.001 0.000 0.224 500 D C 2.008 178.292 176.300 -0.026 0.000 1.029 500 D CA -0.094 53.894 54.000 -0.019 0.000 0.879 500 D CB 0.202 40.989 40.800 -0.021 0.000 0.906 500 D HN 0.257 nan 8.370 nan 0.000 0.528 501 L N 1.053 122.265 121.223 -0.019 0.000 2.010 501 L HA -0.210 4.129 4.340 -0.001 0.000 0.219 501 L C -0.376 176.469 176.870 -0.042 0.000 1.077 501 L CA 1.794 56.617 54.840 -0.028 0.000 0.773 501 L CB -1.825 40.237 42.059 0.005 0.000 0.892 501 L HN 0.054 nan 8.230 nan 0.000 0.436 502 P HA -0.199 nan 4.420 nan 0.000 0.216 502 P C 1.274 178.553 177.300 -0.034 0.000 1.150 502 P CA 1.500 64.587 63.100 -0.023 0.000 0.843 502 P CB 0.013 31.705 31.700 -0.013 0.000 0.787 503 K N -1.206 119.172 120.400 -0.036 0.000 2.062 503 K HA -0.084 4.236 4.320 -0.001 0.000 0.205 503 K C 1.955 178.524 176.600 -0.052 0.000 1.051 503 K CA 0.852 57.117 56.287 -0.037 0.000 0.941 503 K CB -0.821 31.660 32.500 -0.033 0.000 0.719 503 K HN 0.065 nan 8.250 nan 0.000 0.440 504 L N 1.237 122.413 121.223 -0.078 0.000 1.994 504 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 504 L C 2.000 178.772 176.870 -0.163 0.000 1.071 504 L CA 1.575 56.342 54.840 -0.121 0.000 0.745 504 L CB -0.544 41.416 42.059 -0.164 0.000 0.892 504 L HN -0.113 nan 8.230 nan 0.000 0.431 505 V N 0.121 119.924 119.914 -0.184 0.000 2.324 505 V HA -0.295 3.825 4.120 -0.001 0.000 0.250 505 V C 2.708 178.754 176.094 -0.081 0.000 1.060 505 V CA 1.964 64.169 62.300 -0.159 0.000 1.042 505 V CB -0.846 30.928 31.823 -0.081 0.000 0.650 505 V HN 0.587 nan 8.190 nan 0.000 0.450 506 E N 1.020 121.187 120.200 -0.055 0.000 2.072 506 E HA -0.096 4.254 4.350 -0.001 0.000 0.191 506 E C 2.220 178.803 176.600 -0.030 0.000 0.985 506 E CA 1.568 57.950 56.400 -0.031 0.000 0.801 506 E CB -0.866 28.823 29.700 -0.019 0.000 0.750 506 E HN 0.456 nan 8.360 nan 0.000 0.452 507 G N 0.883 109.665 108.800 -0.031 0.000 2.440 507 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.218 507 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.218 507 G C 1.615 176.477 174.900 -0.064 0.000 1.154 507 G CA 1.012 46.111 45.100 -0.003 0.000 0.767 507 G HN 0.321 nan 8.290 nan 0.000 0.552 508 L N -0.050 121.123 121.223 -0.083 0.000 2.079 508 L HA -0.111 4.229 4.340 -0.001 0.000 0.210 508 L C 2.979 179.793 176.870 -0.092 0.000 1.081 508 L CA 1.465 56.249 54.840 -0.093 0.000 0.752 508 L CB -0.319 41.693 42.059 -0.078 0.000 0.896 508 L HN 0.206 nan 8.230 nan 0.000 0.433 509 K N -0.207 120.154 120.400 -0.065 0.000 2.057 509 K HA -0.140 4.180 4.320 -0.001 0.000 0.206 509 K C 2.271 178.824 176.600 -0.078 0.000 1.050 509 K CA 1.155 57.413 56.287 -0.048 0.000 0.935 509 K CB -0.135 32.352 32.500 -0.023 0.000 0.715 509 K HN 0.246 nan 8.250 nan 0.000 0.439 510 R N 0.727 121.171 120.500 -0.093 0.000 2.073 510 R HA -0.135 4.204 4.340 -0.001 0.000 0.234 510 R C 2.410 178.515 176.300 -0.325 0.000 1.134 510 R CA 1.203 57.240 56.100 -0.105 0.000 0.952 510 R CB -0.546 29.767 30.300 0.021 0.000 0.850 510 R HN 0.107 nan 8.270 nan 0.000 0.433 511 L N 0.910 121.763 121.223 -0.617 0.000 1.990 511 L HA -0.205 4.135 4.340 -0.001 0.000 0.213 511 L C 1.973 178.663 176.870 -0.301 0.000 1.072 511 L CA 1.962 56.321 54.840 -0.802 0.000 0.755 511 L CB -0.646 41.102 42.059 -0.519 0.000 0.889 511 L HN 0.019 nan 8.230 nan 0.000 0.432 512 S N -0.337 115.262 115.700 -0.169 0.000 2.370 512 S HA -0.213 4.256 4.470 -0.001 0.000 0.226 512 S C 1.885 176.459 174.600 -0.044 0.000 1.033 512 S CA 1.703 59.863 58.200 -0.066 0.000 1.011 512 S CB -0.364 62.819 63.200 -0.029 0.000 0.852 512 S HN 0.488 nan 8.310 nan 0.000 0.457 513 K N 1.322 121.690 120.400 -0.053 0.000 2.147 513 K HA -0.054 4.266 4.320 -0.001 0.000 0.205 513 K C 2.435 179.030 176.600 -0.007 0.000 1.049 513 K CA 1.520 57.795 56.287 -0.021 0.000 0.936 513 K CB -0.227 32.265 32.500 -0.014 0.000 0.722 513 K HN 0.501 nan 8.250 nan 0.000 0.446 514 S N -0.068 115.621 115.700 -0.019 0.000 2.496 514 S HA -0.038 4.431 4.470 -0.001 0.000 0.224 514 S C 0.391 175.013 174.600 0.036 0.000 0.996 514 S CA 0.190 58.407 58.200 0.028 0.000 0.927 514 S CB 0.224 63.479 63.200 0.092 0.000 0.774 514 S HN 0.077 nan 8.310 nan 0.000 0.524 515 D N 1.164 121.576 120.400 0.021 0.000 2.620 515 D HA 0.414 5.054 4.640 -0.001 0.000 0.252 515 D C -2.534 173.795 176.300 0.049 0.000 1.207 515 D CA -2.084 51.949 54.000 0.055 0.000 0.884 515 D CB 2.296 43.154 40.800 0.097 0.000 1.262 515 D HN -0.129 nan 8.370 nan 0.000 0.552 516 P HA 0.061 nan 4.420 nan 0.000 0.222 516 P C 1.019 178.343 177.300 0.039 0.000 1.153 516 P CA 0.500 63.617 63.100 0.029 0.000 0.798 516 P CB 0.388 32.095 31.700 0.012 0.000 0.796 517 C N -1.609 117.718 119.300 0.046 0.000 2.697 517 C HA 0.263 4.723 4.460 -0.001 0.000 0.267 517 C C 1.204 176.311 174.990 0.196 0.000 1.278 517 C CA -0.349 58.697 59.018 0.047 0.000 1.708 517 C CB -0.940 26.720 27.740 -0.134 0.000 1.860 517 C HN 0.058 nan 8.230 nan 0.000 0.589 518 V N 1.963 122.004 119.914 0.212 0.000 2.644 518 V HA 0.651 4.771 4.120 -0.001 0.000 0.295 518 V C -0.693 175.471 176.094 0.117 0.000 1.053 518 V CA -0.312 62.100 62.300 0.187 0.000 0.987 518 V CB 1.598 33.471 31.823 0.083 0.000 1.006 518 V HN 0.311 nan 8.190 nan 0.000 0.472 519 L N 5.952 127.249 121.223 0.123 0.000 2.385 519 L HA 0.885 5.225 4.340 -0.001 0.000 0.273 519 L C -0.332 176.629 176.870 0.152 0.000 0.990 519 L CA 0.256 55.184 54.840 0.147 0.000 0.821 519 L CB 2.279 44.450 42.059 0.187 0.000 1.279 519 L HN 0.884 nan 8.230 nan 0.000 0.412 520 T N 1.666 116.315 114.554 0.158 0.000 2.916 520 T HA 0.812 5.162 4.350 -0.001 0.000 0.298 520 T C -0.925 173.900 174.700 0.208 0.000 1.031 520 T CA -0.467 61.693 62.100 0.101 0.000 0.993 520 T CB 1.408 70.301 68.868 0.041 0.000 1.045 520 T HN 0.829 nan 8.240 nan 0.000 0.454 521 Y N 0.339 120.678 120.300 0.065 0.000 2.713 521 Y HA 0.768 5.317 4.550 -0.001 0.000 0.335 521 Y C -1.245 174.673 175.900 0.031 0.000 1.222 521 Y CA -1.829 56.301 58.100 0.050 0.000 1.061 521 Y CB 1.328 39.811 38.460 0.038 0.000 1.314 521 Y HN 0.780 nan 8.280 nan 0.000 0.453 522 M N 3.451 123.133 119.600 0.137 0.000 2.188 522 M HA 0.494 4.973 4.480 -0.001 0.000 0.357 522 M C -0.037 176.324 176.300 0.102 0.000 1.204 522 M CA -0.046 55.239 55.300 -0.026 0.000 1.095 522 M CB 0.971 33.542 32.600 -0.048 0.000 1.604 522 M HN 0.819 nan 8.290 nan 0.000 0.464 523 S N 2.418 118.107 115.700 -0.017 0.000 2.645 523 S HA 0.244 4.714 4.470 -0.001 0.000 0.266 523 S C 0.837 175.461 174.600 0.041 0.000 1.258 523 S CA -0.348 57.900 58.200 0.081 0.000 0.990 523 S CB 0.925 64.133 63.200 0.014 0.000 0.967 523 S HN 0.813 nan 8.310 nan 0.000 0.556 524 E N 0.799 121.021 120.200 0.038 0.000 2.265 524 E HA -0.062 4.288 4.350 -0.001 0.000 0.196 524 E C 1.107 177.710 176.600 0.005 0.000 0.996 524 E CA 1.298 57.704 56.400 0.010 0.000 0.832 524 E CB -0.403 29.294 29.700 -0.005 0.000 0.756 524 E HN 0.604 nan 8.360 nan 0.000 0.491 525 S N -0.794 114.911 115.700 0.008 0.000 2.614 525 S HA 0.316 4.786 4.470 -0.001 0.000 0.230 525 S C 0.871 175.468 174.600 -0.005 0.000 0.952 525 S CA 0.266 58.475 58.200 0.015 0.000 0.949 525 S CB 0.607 63.835 63.200 0.046 0.000 0.786 525 S HN 0.494 nan 8.310 nan 0.000 0.478 526 G N 2.015 110.794 108.800 -0.036 0.000 2.176 526 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.252 526 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.252 526 G C -0.375 174.450 174.900 -0.125 0.000 1.024 526 G CA -0.183 44.871 45.100 -0.077 0.000 0.755 526 G HN 0.536 nan 8.290 nan 0.000 0.507 527 E N 0.043 120.167 120.200 -0.126 0.000 2.191 527 E HA 0.364 4.714 4.350 -0.001 0.000 0.274 527 E C -0.290 176.174 176.600 -0.227 0.000 0.948 527 E CA -0.967 55.350 56.400 -0.139 0.000 0.802 527 E CB 1.021 30.679 29.700 -0.070 0.000 1.137 527 E HN 0.385 nan 8.360 nan 0.000 0.397 528 H N 2.604 121.623 119.070 -0.085 0.000 2.819 528 H HA 0.143 4.699 4.556 -0.001 0.000 0.303 528 H C -0.172 175.047 175.328 -0.182 0.000 1.058 528 H CA 0.176 56.153 56.048 -0.118 0.000 1.471 528 H CB 0.444 30.161 29.762 -0.075 0.000 1.480 528 H HN 0.231 nan 8.280 nan 0.000 0.517 529 I N 4.652 125.079 120.570 -0.239 0.000 2.377 529 I HA 0.143 4.313 4.170 -0.001 0.000 0.293 529 I C 0.249 176.213 176.117 -0.255 0.000 0.987 529 I CA -0.682 60.403 61.300 -0.359 0.000 1.185 529 I CB 1.665 39.152 38.000 -0.854 0.000 1.341 529 I HN 0.172 nan 8.210 nan 0.000 0.455 530 V N 5.359 125.201 119.914 -0.120 0.000 2.448 530 V HA 0.780 4.900 4.120 -0.001 0.000 0.295 530 V C 0.138 176.231 176.094 -0.001 0.000 1.025 530 V CA -0.601 61.671 62.300 -0.048 0.000 0.859 530 V CB 1.681 33.481 31.823 -0.037 0.000 0.988 530 V HN 0.885 nan 8.190 nan 0.000 0.431 531 A N 3.554 126.408 122.820 0.056 0.000 2.371 531 A HA 0.961 5.281 4.320 -0.001 0.000 0.311 531 A C 0.032 177.687 177.584 0.117 0.000 1.068 531 A CA -0.102 52.001 52.037 0.111 0.000 0.744 531 A CB 1.772 20.889 19.000 0.195 0.000 1.239 531 A HN 1.058 nan 8.150 nan 0.000 0.435 532 G N -0.386 108.495 108.800 0.134 0.000 2.600 532 G HA2 0.487 4.446 3.960 -0.001 0.000 0.303 532 G HA3 0.487 4.446 3.960 -0.001 0.000 0.303 532 G C 0.476 175.565 174.900 0.315 0.000 1.253 532 G CA 0.215 45.469 45.100 0.256 0.000 0.974 532 G HN 0.505 nan 8.290 nan 0.000 0.483 533 T N -0.443 114.380 114.554 0.448 0.000 2.867 533 T HA 0.217 4.567 4.350 -0.001 0.000 0.268 533 T C 1.080 175.892 174.700 0.186 0.000 1.057 533 T CA 1.678 63.890 62.100 0.186 0.000 1.136 533 T CB -0.235 68.611 68.868 -0.037 0.000 0.874 533 T HN 0.939 nan 8.240 nan 0.000 0.466 534 G N -0.534 108.399 108.800 0.222 0.000 2.687 534 G HA2 0.479 4.438 3.960 -0.001 0.000 0.291 534 G HA3 0.479 4.438 3.960 -0.001 0.000 0.291 534 G C -0.252 174.738 174.900 0.150 0.000 1.420 534 G CA -0.570 44.630 45.100 0.166 0.000 0.796 534 G HN 0.007 nan 8.290 nan 0.000 0.485 535 E N -0.621 119.643 120.200 0.108 0.000 2.058 535 E HA -0.122 4.228 4.350 -0.001 0.000 0.194 535 E C 2.411 179.057 176.600 0.077 0.000 0.997 535 E CA 1.266 57.715 56.400 0.082 0.000 0.801 535 E CB -0.085 29.653 29.700 0.062 0.000 0.746 535 E HN 0.314 nan 8.360 nan 0.000 0.450 536 L N 0.396 121.671 121.223 0.088 0.000 2.017 536 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 536 L C 2.312 179.246 176.870 0.105 0.000 1.073 536 L CA 2.128 57.018 54.840 0.084 0.000 0.745 536 L CB -0.734 41.377 42.059 0.085 0.000 0.894 536 L HN 0.212 nan 8.230 nan 0.000 0.432 537 H N -0.881 118.212 119.070 0.037 0.000 2.319 537 H HA -0.204 4.351 4.556 -0.000 0.000 0.299 537 H C 2.011 177.361 175.328 0.036 0.000 1.092 537 H CA 2.395 58.462 56.048 0.031 0.000 1.302 537 H CB -0.465 29.315 29.762 0.030 0.000 1.373 537 H HN 0.330 nan 8.280 nan 0.000 0.497 538 L N 1.033 122.207 121.223 -0.081 0.000 2.042 538 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 538 L C 2.422 179.235 176.870 -0.095 0.000 1.076 538 L CA 2.483 57.241 54.840 -0.138 0.000 0.749 538 L CB -1.049 41.005 42.059 -0.008 0.000 0.893 538 L HN 0.594 nan 8.230 nan 0.000 0.432 539 E N -0.525 119.656 120.200 -0.031 0.000 2.085 539 E HA -0.252 4.097 4.350 -0.001 0.000 0.194 539 E C 2.130 178.714 176.600 -0.025 0.000 0.994 539 E CA 1.737 58.128 56.400 -0.015 0.000 0.801 539 E CB -0.077 29.629 29.700 0.010 0.000 0.743 539 E HN 0.510 nan 8.360 nan 0.000 0.453 540 I N 1.233 121.785 120.570 -0.030 0.000 2.226 540 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 540 I C 2.641 178.740 176.117 -0.031 0.000 1.100 540 I CA 0.767 62.056 61.300 -0.018 0.000 1.374 540 I CB -1.585 36.422 38.000 0.012 0.000 1.057 540 I HN 0.385 nan 8.210 nan 0.000 0.413 541 C N 0.714 119.951 119.300 -0.105 0.000 2.413 541 C HA -0.145 4.315 4.460 -0.001 0.000 0.276 541 C C 2.937 177.922 174.990 -0.008 0.000 1.248 541 C CA 0.522 59.491 59.018 -0.082 0.000 1.742 541 C CB -1.144 26.464 27.740 -0.221 0.000 2.017 541 C HN 0.452 nan 8.230 nan 0.000 0.481 542 L N 0.159 121.365 121.223 -0.028 0.000 2.141 542 L HA -0.191 4.149 4.340 -0.001 0.000 0.209 542 L C 2.741 179.622 176.870 0.019 0.000 1.094 542 L CA 1.397 56.236 54.840 -0.002 0.000 0.763 542 L CB -0.733 41.318 42.059 -0.013 0.000 0.908 542 L HN 0.494 nan 8.230 nan 0.000 0.437 543 Q N -0.073 119.735 119.800 0.012 0.000 2.016 543 Q HA -0.194 4.146 4.340 -0.001 0.000 0.200 543 Q C 1.800 177.823 176.000 0.038 0.000 0.978 543 Q CA 1.587 57.400 55.803 0.015 0.000 0.833 543 Q CB -0.106 28.626 28.738 -0.010 0.000 0.895 543 Q HN 0.413 nan 8.270 nan 0.000 0.427 544 D N 0.594 121.013 120.400 0.031 0.000 2.178 544 D HA -0.138 4.502 4.640 -0.001 0.000 0.201 544 D C 1.752 178.070 176.300 0.029 0.000 0.980 544 D CA 0.609 54.603 54.000 -0.011 0.000 0.842 544 D CB -0.123 40.670 40.800 -0.012 0.000 0.948 544 D HN 0.078 nan 8.370 nan 0.000 0.472 545 L N 1.116 122.441 121.223 0.170 0.000 1.988 545 L HA -0.119 4.221 4.340 -0.001 0.000 0.207 545 L C 2.138 179.057 176.870 0.083 0.000 1.071 545 L CA 1.877 56.831 54.840 0.189 0.000 0.744 545 L CB -0.699 41.421 42.059 0.103 0.000 0.893 545 L HN -0.050 nan 8.230 nan 0.000 0.433 546 E N -1.915 118.318 120.200 0.055 0.000 2.077 546 E HA -0.321 4.029 4.350 -0.001 0.000 0.193 546 E C 2.167 178.786 176.600 0.031 0.000 0.989 546 E CA 1.519 57.940 56.400 0.035 0.000 0.800 546 E CB -0.138 29.584 29.700 0.037 0.000 0.746 546 E HN 0.723 nan 8.360 nan 0.000 0.452 547 H N -0.220 118.827 119.070 -0.038 0.000 2.329 547 H HA -0.019 4.537 4.556 -0.001 0.000 0.306 547 H C 1.295 176.578 175.328 -0.076 0.000 1.062 547 H CA 2.010 58.026 56.048 -0.054 0.000 1.364 547 H CB 0.318 30.044 29.762 -0.060 0.000 1.409 547 H HN 0.162 nan 8.280 nan 0.000 0.519 548 D N -1.150 119.192 120.400 -0.096 0.000 2.805 548 D HA -0.035 4.604 4.640 -0.001 0.000 0.271 548 D C 2.165 178.381 176.300 -0.140 0.000 1.166 548 D CA 0.452 54.343 54.000 -0.183 0.000 1.004 548 D CB -0.636 40.022 40.800 -0.237 0.000 1.136 548 D HN 0.370 nan 8.370 nan 0.000 0.444 549 H N 1.364 120.426 119.070 -0.013 0.000 2.267 549 H HA -0.121 4.434 4.556 -0.001 0.000 0.291 549 H C 1.827 177.133 175.328 -0.038 0.000 1.094 549 H CA 2.005 58.040 56.048 -0.022 0.000 1.227 549 H CB -0.356 29.395 29.762 -0.017 0.000 1.351 549 H HN 0.189 nan 8.280 nan 0.000 0.483 550 A N -0.432 122.437 122.820 0.082 0.000 2.014 550 A HA 0.331 4.651 4.320 -0.001 0.000 0.210 550 A C 1.956 179.522 177.584 -0.030 0.000 1.188 550 A CA 0.953 52.998 52.037 0.012 0.000 0.731 550 A CB -0.234 18.765 19.000 -0.003 0.000 0.858 550 A HN 0.530 nan 8.150 nan 0.000 0.464 551 G N -0.584 108.182 108.800 -0.057 0.000 2.356 551 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.296 551 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.296 551 G C -0.075 174.776 174.900 -0.083 0.000 1.022 551 G CA 0.637 45.669 45.100 -0.114 0.000 0.961 551 G HN 1.120 nan 8.290 nan 0.000 0.510 552 V N -0.840 119.042 119.914 -0.052 0.000 3.087 552 V HA 0.522 4.641 4.120 -0.001 0.000 0.306 552 V C -2.285 173.796 176.094 -0.023 0.000 1.187 552 V CA -1.758 60.519 62.300 -0.038 0.000 0.999 552 V CB 2.591 34.394 31.823 -0.034 0.000 1.049 552 V HN 0.062 nan 8.190 nan 0.000 0.431 553 P HA 0.289 nan 4.420 nan 0.000 0.265 553 P C -1.122 176.173 177.300 -0.009 0.000 1.193 553 P CA 0.374 63.470 63.100 -0.007 0.000 0.765 553 P CB 0.326 32.022 31.700 -0.006 0.000 0.823 554 L N 2.217 123.437 121.223 -0.005 0.000 2.371 554 L HA 0.562 4.902 4.340 -0.001 0.000 0.262 554 L C 0.155 177.023 176.870 -0.005 0.000 1.006 554 L CA -0.982 53.854 54.840 -0.007 0.000 0.818 554 L CB 2.433 44.487 42.059 -0.009 0.000 1.354 554 L HN 0.205 nan 8.230 nan 0.000 0.415 555 K N 2.399 122.796 120.400 -0.005 0.000 2.307 555 K HA 0.569 4.889 4.320 -0.001 0.000 0.263 555 K C -1.306 175.288 176.600 -0.011 0.000 0.973 555 K CA -0.606 55.677 56.287 -0.006 0.000 0.846 555 K CB 1.257 33.754 32.500 -0.004 0.000 1.100 555 K HN 0.369 nan 8.250 nan 0.000 0.438 556 I N 3.357 123.918 120.570 -0.015 0.000 2.412 556 I HA 0.332 4.502 4.170 -0.001 0.000 0.296 556 I C -0.017 176.080 176.117 -0.034 0.000 0.987 556 I CA -0.347 60.940 61.300 -0.023 0.000 1.180 556 I CB 1.100 39.088 38.000 -0.019 0.000 1.340 556 I HN 0.792 nan 8.210 nan 0.000 0.455 557 S N 5.785 121.453 115.700 -0.052 0.000 2.588 557 S HA 0.696 5.166 4.470 -0.001 0.000 0.269 557 S C -3.194 171.324 174.600 -0.136 0.000 1.157 557 S CA -1.456 56.698 58.200 -0.076 0.000 0.824 557 S CB 1.923 65.086 63.200 -0.062 0.000 1.126 557 S HN 0.261 nan 8.310 nan 0.000 0.464 558 P HA 0.294 nan 4.420 nan 0.000 0.271 558 P C -2.407 174.654 177.300 -0.399 0.000 1.226 558 P CA -0.820 62.027 63.100 -0.421 0.000 0.765 558 P CB -0.281 31.146 31.700 -0.455 0.000 0.835 559 P HA -0.065 nan 4.420 nan 0.000 0.265 559 P C -0.269 176.979 177.300 -0.086 0.000 1.193 559 P CA 0.341 63.332 63.100 -0.180 0.000 0.765 559 P CB 0.424 32.096 31.700 -0.046 0.000 0.823 560 V N 4.481 124.394 119.914 -0.001 0.000 2.655 560 V HA -0.010 4.110 4.120 -0.001 0.000 0.300 560 V C 0.860 177.027 176.094 0.121 0.000 1.044 560 V CA -0.006 62.340 62.300 0.076 0.000 1.095 560 V CB 1.032 32.899 31.823 0.074 0.000 0.952 560 V HN 0.278 nan 8.190 nan 0.000 0.485 561 V N 4.812 124.829 119.914 0.171 0.000 2.481 561 V HA 0.621 4.740 4.120 -0.001 0.000 0.286 561 V C 0.588 176.637 176.094 -0.074 0.000 1.042 561 V CA -0.480 61.840 62.300 0.033 0.000 0.928 561 V CB 1.422 33.239 31.823 -0.011 0.000 0.986 561 V HN 1.011 nan 8.190 nan 0.000 0.462 562 A N 4.577 127.311 122.820 -0.142 0.000 2.316 562 A HA 0.776 5.095 4.320 -0.001 0.000 0.284 562 A C -1.050 176.439 177.584 -0.159 0.000 1.115 562 A CA -0.162 51.852 52.037 -0.038 0.000 0.812 562 A CB 0.331 19.365 19.000 0.056 0.000 1.064 562 A HN 0.727 nan 8.150 nan 0.000 0.489 563 Y N 0.138 120.581 120.300 0.238 0.000 2.662 563 Y HA 0.758 5.307 4.550 -0.000 0.000 0.335 563 Y C 0.335 176.196 175.900 -0.065 0.000 1.066 563 Y CA -0.740 57.522 58.100 0.269 0.000 1.116 563 Y CB 1.664 40.368 38.460 0.407 0.000 1.308 563 Y HN 0.660 nan 8.280 nan 0.000 0.502 564 R N 0.553 121.053 120.500 -0.000 0.000 2.750 564 R HA 0.419 4.758 4.340 -0.001 0.000 0.281 564 R C -1.524 174.789 176.300 0.022 0.000 0.972 564 R CA -1.109 54.848 56.100 -0.238 0.000 0.912 564 R CB 1.488 31.390 30.300 -0.663 0.000 1.187 564 R HN 0.632 nan 8.270 nan 0.000 0.464 565 E N 0.747 120.959 120.200 0.020 0.000 2.133 565 E HA 0.403 4.753 4.350 -0.001 0.000 0.274 565 E C -0.521 176.280 176.600 0.335 0.000 0.930 565 E CA -0.437 56.091 56.400 0.214 0.000 0.770 565 E CB 2.238 31.984 29.700 0.077 0.000 1.104 565 E HN 0.394 nan 8.360 nan 0.000 0.403 566 T N 0.830 115.599 114.554 0.358 0.000 2.716 566 T HA 0.578 4.928 4.350 -0.001 0.000 0.286 566 T C -1.395 173.240 174.700 -0.107 0.000 1.052 566 T CA -0.659 61.569 62.100 0.213 0.000 1.024 566 T CB 1.578 70.498 68.868 0.087 0.000 1.349 566 T HN 0.280 nan 8.240 nan 0.000 0.525 567 V N 0.858 120.664 119.914 -0.181 0.000 2.656 567 V HA 0.731 4.850 4.120 -0.001 0.000 0.307 567 V C 0.557 176.560 176.094 -0.152 0.000 1.051 567 V CA -0.624 61.482 62.300 -0.323 0.000 0.893 567 V CB 1.619 33.221 31.823 -0.369 0.000 0.999 567 V HN 0.885 nan 8.190 nan 0.000 0.426 568 E N 2.795 122.910 120.200 -0.141 0.000 2.299 568 E HA 0.174 4.524 4.350 -0.001 0.000 0.193 568 E C 0.814 177.366 176.600 -0.080 0.000 0.998 568 E CA 1.122 57.473 56.400 -0.081 0.000 0.851 568 E CB 0.314 29.975 29.700 -0.064 0.000 0.795 568 E HN 1.129 nan 8.360 nan 0.000 0.492 569 S N -1.964 113.671 115.700 -0.107 0.000 2.790 569 S HA 0.327 4.797 4.470 -0.001 0.000 0.292 569 S C -0.544 173.988 174.600 -0.114 0.000 1.197 569 S CA -1.084 57.058 58.200 -0.097 0.000 0.851 569 S CB 0.986 64.134 63.200 -0.087 0.000 1.217 569 S HN 0.069 nan 8.310 nan 0.000 0.526 570 E N 0.641 120.778 120.200 -0.106 0.000 2.390 570 E HA 0.378 4.728 4.350 -0.001 0.000 0.261 570 E C -0.623 175.903 176.600 -0.124 0.000 1.076 570 E CA -0.397 55.938 56.400 -0.109 0.000 0.905 570 E CB 0.668 30.308 29.700 -0.100 0.000 0.984 570 E HN 0.564 nan 8.360 nan 0.000 0.427 571 S N 1.835 117.462 115.700 -0.122 0.000 2.544 571 S HA -0.070 4.400 4.470 -0.001 0.000 0.290 571 S C 1.213 175.715 174.600 -0.164 0.000 1.276 571 S CA 0.240 58.349 58.200 -0.152 0.000 1.075 571 S CB 0.689 63.818 63.200 -0.118 0.000 0.849 571 S HN 0.628 nan 8.310 nan 0.000 0.494 572 S N 2.190 117.762 115.700 -0.214 0.000 2.465 572 S HA -0.140 4.330 4.470 -0.001 0.000 0.241 572 S C 0.480 174.967 174.600 -0.188 0.000 1.000 572 S CA 0.621 58.703 58.200 -0.197 0.000 0.964 572 S CB -0.533 62.532 63.200 -0.225 0.000 0.763 572 S HN 0.882 nan 8.310 nan 0.000 0.512 573 Q N -1.447 118.226 119.800 -0.211 0.000 2.578 573 Q HA 0.389 4.728 4.340 -0.001 0.000 0.284 573 Q C -1.586 174.364 176.000 -0.083 0.000 0.960 573 Q CA -1.000 54.716 55.803 -0.145 0.000 0.809 573 Q CB 0.360 28.988 28.738 -0.184 0.000 1.462 573 Q HN -0.022 nan 8.270 nan 0.000 0.392 574 T N 1.585 116.148 114.554 0.015 0.000 2.905 574 T HA 0.322 4.671 4.350 -0.001 0.000 0.299 574 T C 0.049 174.859 174.700 0.184 0.000 1.024 574 T CA 0.691 62.848 62.100 0.095 0.000 1.151 574 T CB 0.288 69.252 68.868 0.160 0.000 0.987 574 T HN 0.587 nan 8.240 nan 0.000 0.535 575 A N 3.548 126.458 122.820 0.150 0.000 2.328 575 A HA 0.627 4.947 4.320 -0.001 0.000 0.284 575 A C -0.424 177.198 177.584 0.064 0.000 1.160 575 A CA -0.602 51.564 52.037 0.214 0.000 0.818 575 A CB 0.250 19.337 19.000 0.145 0.000 1.087 575 A HN 0.672 nan 8.150 nan 0.000 0.504 576 L N 2.358 123.504 121.223 -0.129 0.000 2.381 576 L HA 0.767 5.107 4.340 -0.001 0.000 0.274 576 L C -0.414 176.162 176.870 -0.489 0.000 0.988 576 L CA 0.278 54.821 54.840 -0.496 0.000 0.824 576 L CB 1.972 43.635 42.059 -0.659 0.000 1.263 576 L HN 0.578 nan 8.230 nan 0.000 0.410 577 S N 3.539 119.025 115.700 -0.357 0.000 2.546 577 S HA 0.726 5.196 4.470 -0.001 0.000 0.274 577 S C -1.403 173.079 174.600 -0.196 0.000 1.121 577 S CA -0.947 57.124 58.200 -0.216 0.000 0.887 577 S CB 2.083 65.232 63.200 -0.085 0.000 1.094 577 S HN 0.669 nan 8.310 nan 0.000 0.474 578 K N -0.324 119.995 120.400 -0.134 0.000 2.281 578 K HA 0.750 5.070 4.320 -0.001 0.000 0.242 578 K C -0.194 176.381 176.600 -0.043 0.000 0.971 578 K CA -0.712 55.519 56.287 -0.093 0.000 0.834 578 K CB 1.424 33.866 32.500 -0.097 0.000 1.181 578 K HN 0.575 nan 8.250 nan 0.000 0.435 579 S N 0.371 116.064 115.700 -0.012 0.000 2.624 579 S HA 0.176 4.646 4.470 -0.001 0.000 0.263 579 S C -1.860 172.749 174.600 0.015 0.000 1.287 579 S CA -1.032 57.177 58.200 0.015 0.000 0.990 579 S CB 0.868 64.097 63.200 0.049 0.000 0.950 579 S HN 0.502 nan 8.310 nan 0.000 0.561 580 P HA -0.109 nan 4.420 nan 0.000 0.216 580 P C 1.242 178.562 177.300 0.034 0.000 1.153 580 P CA 1.086 64.200 63.100 0.024 0.000 0.858 580 P CB -0.094 31.627 31.700 0.035 0.000 0.789 581 N N -0.582 118.162 118.700 0.075 0.000 2.192 581 N HA -0.172 4.568 4.740 -0.001 0.000 0.188 581 N C 0.736 176.279 175.510 0.055 0.000 1.013 581 N CA 1.248 54.389 53.050 0.153 0.000 0.863 581 N CB -0.294 38.347 38.487 0.257 0.000 0.990 581 N HN 0.152 nan 8.380 nan 0.000 0.430 582 K N -2.668 117.720 120.400 -0.020 0.000 3.553 582 K HA -0.213 4.107 4.320 -0.001 0.000 0.303 582 K C 0.240 176.712 176.600 -0.212 0.000 1.327 582 K CA 1.101 57.308 56.287 -0.134 0.000 0.983 582 K CB -1.493 30.891 32.500 -0.192 0.000 1.275 582 K HN 0.443 nan 8.250 nan 0.000 0.453 583 H N -0.158 118.918 119.070 0.010 0.000 2.547 583 H HA 0.143 4.699 4.556 -0.001 0.000 0.272 583 H C 0.137 175.512 175.328 0.079 0.000 0.971 583 H CA 0.643 56.724 56.048 0.056 0.000 1.245 583 H CB 0.280 30.089 29.762 0.078 0.000 1.440 583 H HN 0.235 nan 8.280 nan 0.000 0.540 584 N N 0.696 119.486 118.700 0.151 0.000 2.314 584 N HA 0.479 5.219 4.740 -0.001 0.000 0.304 584 N C -0.824 174.710 175.510 0.039 0.000 1.073 584 N CA -0.759 52.359 53.050 0.115 0.000 0.822 584 N CB 2.120 40.678 38.487 0.118 0.000 1.280 584 N HN 0.018 nan 8.380 nan 0.000 0.489 585 R N 1.049 121.567 120.500 0.031 0.000 2.725 585 R HA 0.594 4.933 4.340 -0.001 0.000 0.277 585 R C -1.119 175.142 176.300 -0.065 0.000 0.987 585 R CA -0.749 55.304 56.100 -0.078 0.000 0.901 585 R CB 2.079 32.285 30.300 -0.157 0.000 1.207 585 R HN 0.453 nan 8.270 nan 0.000 0.463 586 I N 2.056 122.518 120.570 -0.180 0.000 2.545 586 I HA 0.384 4.554 4.170 -0.001 0.000 0.292 586 I C -1.208 174.769 176.117 -0.233 0.000 1.040 586 I CA -0.859 60.392 61.300 -0.081 0.000 1.068 586 I CB 1.835 39.817 38.000 -0.029 0.000 1.251 586 I HN 0.469 nan 8.210 nan 0.000 0.424 587 Y N 6.706 126.992 120.300 -0.023 0.000 2.341 587 Y HA 0.677 5.226 4.550 -0.001 0.000 0.338 587 Y C -0.348 175.533 175.900 -0.031 0.000 0.965 587 Y CA -0.914 57.173 58.100 -0.021 0.000 1.108 587 Y CB 1.725 40.173 38.460 -0.020 0.000 1.180 587 Y HN 0.367 nan 8.280 nan 0.000 0.458 588 L N 0.076 121.359 121.223 0.099 0.000 2.720 588 L HA 0.788 5.127 4.340 -0.001 0.000 0.261 588 L C -1.803 175.086 176.870 0.030 0.000 1.046 588 L CA -1.456 53.407 54.840 0.038 0.000 0.886 588 L CB 2.215 44.277 42.059 0.005 0.000 1.493 588 L HN 0.388 nan 8.230 nan 0.000 0.407 589 K N 0.412 120.810 120.400 -0.003 0.000 2.502 589 K HA 0.906 5.225 4.320 -0.001 0.000 0.257 589 K C -1.330 175.257 176.600 -0.023 0.000 0.938 589 K CA -0.646 55.630 56.287 -0.019 0.000 0.819 589 K CB 2.497 34.971 32.500 -0.042 0.000 1.333 589 K HN 1.000 nan 8.250 nan 0.000 0.434 590 A N 1.925 124.734 122.820 -0.019 0.000 2.320 590 A HA 0.677 4.997 4.320 -0.001 0.000 0.334 590 A C -0.940 176.612 177.584 -0.053 0.000 1.147 590 A CA -0.441 51.594 52.037 -0.002 0.000 0.820 590 A CB 0.848 19.878 19.000 0.051 0.000 1.218 590 A HN 0.851 nan 8.150 nan 0.000 0.482 591 E N 0.274 120.445 120.200 -0.049 0.000 2.407 591 E HA 0.581 4.930 4.350 -0.001 0.000 0.279 591 E C -3.193 173.376 176.600 -0.051 0.000 1.012 591 E CA -2.151 54.202 56.400 -0.078 0.000 0.800 591 E CB 1.529 31.163 29.700 -0.111 0.000 1.276 591 E HN 0.274 nan 8.360 nan 0.000 0.452 592 P HA 0.195 nan 4.420 nan 0.000 0.271 592 P C -0.639 176.662 177.300 0.001 0.000 1.216 592 P CA -0.066 63.022 63.100 -0.020 0.000 0.776 592 P CB 0.506 32.190 31.700 -0.027 0.000 0.881 593 I N 2.006 122.608 120.570 0.052 0.000 2.353 593 I HA 0.168 4.337 4.170 -0.001 0.000 0.293 593 I C 0.947 177.121 176.117 0.096 0.000 0.992 593 I CA -0.607 60.758 61.300 0.109 0.000 1.268 593 I CB 0.770 38.857 38.000 0.144 0.000 1.387 593 I HN 0.316 nan 8.210 nan 0.000 0.478 594 D N 5.619 126.092 120.400 0.122 0.000 2.443 594 D HA -0.092 4.547 4.640 -0.001 0.000 0.239 594 D C 1.078 177.438 176.300 0.100 0.000 1.136 594 D CA 0.122 54.187 54.000 0.108 0.000 0.879 594 D CB 1.169 42.056 40.800 0.145 0.000 1.195 594 D HN 0.489 nan 8.370 nan 0.000 0.443 595 E N 2.517 122.769 120.200 0.086 0.000 2.086 595 E HA -0.234 4.116 4.350 -0.001 0.000 0.200 595 E C 1.479 178.132 176.600 0.089 0.000 1.012 595 E CA 1.074 57.525 56.400 0.084 0.000 0.812 595 E CB 0.048 29.789 29.700 0.069 0.000 0.743 595 E HN 0.586 nan 8.360 nan 0.000 0.453 596 E N 0.031 120.298 120.200 0.113 0.000 2.204 596 E HA -0.115 4.235 4.350 -0.001 0.000 0.195 596 E C 2.111 178.747 176.600 0.061 0.000 0.990 596 E CA 0.622 57.111 56.400 0.149 0.000 0.821 596 E CB 0.159 30.011 29.700 0.253 0.000 0.750 596 E HN 0.110 nan 8.360 nan 0.000 0.477 597 V N 0.243 120.146 119.914 -0.019 0.000 2.346 597 V HA -0.164 3.956 4.120 -0.001 0.000 0.244 597 V C 2.380 178.409 176.094 -0.109 0.000 1.037 597 V CA 1.439 63.595 62.300 -0.239 0.000 1.029 597 V CB -0.430 31.320 31.823 -0.120 0.000 0.663 597 V HN 0.152 nan 8.190 nan 0.000 0.454 598 S N 0.372 116.074 115.700 0.004 0.000 2.370 598 S HA -0.176 4.294 4.470 -0.001 0.000 0.226 598 S C 1.913 176.551 174.600 0.063 0.000 1.033 598 S CA 1.427 59.654 58.200 0.046 0.000 1.011 598 S CB -0.385 62.861 63.200 0.076 0.000 0.852 598 S HN 0.300 nan 8.310 nan 0.000 0.457 599 L N 1.433 122.697 121.223 0.068 0.000 2.083 599 L HA 0.023 4.363 4.340 -0.001 0.000 0.209 599 L C 2.580 179.488 176.870 0.062 0.000 1.083 599 L CA 1.611 56.503 54.840 0.087 0.000 0.752 599 L CB -1.593 40.521 42.059 0.090 0.000 0.899 599 L HN 0.307 nan 8.230 nan 0.000 0.433 600 A N -0.761 122.064 122.820 0.008 0.000 1.933 600 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 600 A C 2.329 179.917 177.584 0.006 0.000 1.175 600 A CA 1.567 53.594 52.037 -0.017 0.000 0.628 600 A CB -0.527 18.352 19.000 -0.201 0.000 0.814 600 A HN 0.387 nan 8.150 nan 0.000 0.444 601 I N -0.741 119.840 120.570 0.018 0.000 2.233 601 I HA -0.208 3.962 4.170 -0.001 0.000 0.243 601 I C 2.430 178.611 176.117 0.107 0.000 1.093 601 I CA 1.424 62.787 61.300 0.104 0.000 1.380 601 I CB -0.398 37.701 38.000 0.165 0.000 1.067 601 I HN 0.366 nan 8.210 nan 0.000 0.413 602 E N 0.751 121.016 120.200 0.108 0.000 2.153 602 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 602 E C 1.235 177.894 176.600 0.098 0.000 0.988 602 E CA 0.892 57.364 56.400 0.119 0.000 0.811 602 E CB -0.041 29.752 29.700 0.155 0.000 0.746 602 E HN 0.444 nan 8.360 nan 0.000 0.466 603 N N -0.676 118.074 118.700 0.084 0.000 2.270 603 N HA 0.043 4.782 4.740 -0.001 0.000 0.198 603 N C 0.608 176.151 175.510 0.054 0.000 1.117 603 N CA 0.791 53.883 53.050 0.071 0.000 0.845 603 N CB 1.565 40.097 38.487 0.074 0.000 0.980 603 N HN 0.240 nan 8.380 nan 0.000 0.486 604 G N 0.946 109.774 108.800 0.047 0.000 2.141 604 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.242 604 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.242 604 G C 0.766 175.685 174.900 0.031 0.000 0.982 604 G CA -0.020 45.098 45.100 0.030 0.000 0.662 604 G HN 0.242 nan 8.290 nan 0.000 0.527 605 I N 0.225 120.820 120.570 0.043 0.000 2.585 605 I HA 0.333 4.503 4.170 -0.001 0.000 0.254 605 I C 1.419 177.560 176.117 0.040 0.000 1.129 605 I CA 0.600 61.932 61.300 0.054 0.000 1.455 605 I CB 0.092 38.148 38.000 0.093 0.000 1.111 605 I HN 0.277 nan 8.210 nan 0.000 0.433 606 I N 1.955 122.540 120.570 0.024 0.000 2.354 606 I HA 0.246 4.416 4.170 -0.001 0.000 0.286 606 I C -0.664 175.496 176.117 0.071 0.000 1.007 606 I CA -0.311 61.011 61.300 0.037 0.000 1.167 606 I CB 0.457 38.440 38.000 -0.029 0.000 1.320 606 I HN 0.107 nan 8.210 nan 0.000 0.458 607 N N 7.527 126.226 118.700 -0.002 0.000 2.314 607 N HA 0.342 5.082 4.740 -0.001 0.000 0.304 607 N C -2.118 173.156 175.510 -0.394 0.000 1.073 607 N CA -1.543 51.408 53.050 -0.164 0.000 0.822 607 N CB 2.154 40.575 38.487 -0.109 0.000 1.280 607 N HN 0.141 nan 8.380 nan 0.000 0.489 608 P HA -0.092 nan 4.420 nan 0.000 0.216 608 P C 0.854 177.949 177.300 -0.341 0.000 1.153 608 P CA 1.402 63.915 63.100 -0.978 0.000 0.858 608 P CB 0.381 31.607 31.700 -0.790 0.000 0.789 609 R N -0.981 119.392 120.500 -0.213 0.000 2.317 609 R HA 0.159 4.499 4.340 -0.001 0.000 0.208 609 R C 0.128 176.405 176.300 -0.038 0.000 0.914 609 R CA 0.087 56.132 56.100 -0.091 0.000 1.060 609 R CB -1.069 29.188 30.300 -0.072 0.000 1.015 609 R HN 0.315 nan 8.270 nan 0.000 0.498 610 D N 1.580 121.956 120.400 -0.040 0.000 2.368 610 D HA -0.061 4.579 4.640 -0.001 0.000 0.240 610 D C -0.045 176.280 176.300 0.043 0.000 1.169 610 D CA 0.025 54.024 54.000 -0.002 0.000 0.906 610 D CB 0.562 41.361 40.800 -0.002 0.000 1.187 610 D HN -0.012 nan 8.370 nan 0.000 0.435 611 D N 0.083 120.502 120.400 0.032 0.000 2.472 611 D HA -0.120 4.519 4.640 -0.001 0.000 0.248 611 D C 1.266 177.587 176.300 0.034 0.000 1.174 611 D CA -0.071 53.958 54.000 0.047 0.000 0.883 611 D CB 0.072 40.857 40.800 -0.025 0.000 1.149 611 D HN 0.347 nan 8.370 nan 0.000 0.488 612 F N 3.693 123.661 119.950 0.031 0.000 2.202 612 F HA -0.120 4.406 4.527 -0.000 0.000 0.301 612 F C 1.942 177.766 175.800 0.040 0.000 1.082 612 F CA 1.085 59.113 58.000 0.046 0.000 1.313 612 F CB -0.284 38.752 39.000 0.060 0.000 1.024 612 F HN 0.358 nan 8.300 nan 0.000 0.495 613 K N 1.069 120.754 120.400 -1.192 0.000 1.991 613 K HA -0.015 4.304 4.320 -0.001 0.000 0.207 613 K C 2.402 178.792 176.600 -0.351 0.000 1.045 613 K CA 1.188 56.929 56.287 -0.909 0.000 0.937 613 K CB -0.586 31.409 32.500 -0.842 0.000 0.720 613 K HN 0.307 nan 8.250 nan 0.000 0.438 614 A N 1.582 124.258 122.820 -0.240 0.000 1.933 614 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 614 A C 2.152 179.694 177.584 -0.071 0.000 1.175 614 A CA 1.583 53.550 52.037 -0.117 0.000 0.628 614 A CB -0.573 18.379 19.000 -0.079 0.000 0.814 614 A HN 0.427 nan 8.150 nan 0.000 0.444 615 R N -0.379 120.084 120.500 -0.062 0.000 2.092 615 R HA -0.060 4.280 4.340 -0.001 0.000 0.231 615 R C 2.238 178.520 176.300 -0.030 0.000 1.119 615 R CA 1.345 57.434 56.100 -0.018 0.000 0.970 615 R CB -0.380 29.936 30.300 0.027 0.000 0.864 615 R HN 0.421 nan 8.270 nan 0.000 0.440 616 A N 1.213 124.010 122.820 -0.039 0.000 1.933 616 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 616 A C 2.118 179.702 177.584 -0.000 0.000 1.175 616 A CA 0.977 53.005 52.037 -0.014 0.000 0.628 616 A CB -0.412 18.601 19.000 0.021 0.000 0.814 616 A HN 0.243 nan 8.150 nan 0.000 0.444 617 R N -0.490 119.999 120.500 -0.019 0.000 2.081 617 R HA -0.062 4.278 4.340 -0.001 0.000 0.235 617 R C 2.012 178.326 176.300 0.023 0.000 1.131 617 R CA 1.476 57.575 56.100 -0.000 0.000 0.960 617 R CB -0.613 29.674 30.300 -0.023 0.000 0.856 617 R HN 0.634 nan 8.270 nan 0.000 0.436 618 I N 0.567 121.154 120.570 0.028 0.000 2.202 618 I HA -0.286 3.884 4.170 -0.001 0.000 0.242 618 I C 2.480 178.686 176.117 0.147 0.000 1.091 618 I CA 1.322 62.666 61.300 0.074 0.000 1.368 618 I CB -0.201 37.854 38.000 0.092 0.000 1.058 618 I HN 0.132 nan 8.210 nan 0.000 0.410 619 M N 0.123 119.772 119.600 0.081 0.000 2.159 619 M HA -0.176 4.304 4.480 -0.001 0.000 0.263 619 M C 2.435 178.841 176.300 0.177 0.000 1.063 619 M CA 1.890 57.218 55.300 0.046 0.000 1.110 619 M CB -0.451 31.920 32.600 -0.382 0.000 1.374 619 M HN 0.320 nan 8.290 nan 0.000 0.411 620 A N 0.465 123.373 122.820 0.147 0.000 1.843 620 A HA -0.121 4.199 4.320 -0.001 0.000 0.213 620 A C 1.740 179.396 177.584 0.119 0.000 1.202 620 A CA 1.564 53.705 52.037 0.174 0.000 0.607 620 A CB -0.577 18.500 19.000 0.128 0.000 0.847 620 A HN 0.343 nan 8.150 nan 0.000 0.445 621 D N 0.148 120.590 120.400 0.069 0.000 2.183 621 D HA -0.080 4.560 4.640 -0.001 0.000 0.203 621 D C 0.973 177.267 176.300 -0.010 0.000 0.969 621 D CA 1.230 55.247 54.000 0.028 0.000 0.842 621 D CB -0.224 40.582 40.800 0.010 0.000 0.957 621 D HN 0.416 nan 8.370 nan 0.000 0.484 622 D N -0.999 119.380 120.400 -0.035 0.000 2.324 622 D HA -0.009 4.630 4.640 -0.001 0.000 0.212 622 D C 0.908 176.987 176.300 -0.367 0.000 0.984 622 D CA 0.413 54.278 54.000 -0.225 0.000 0.885 622 D CB 0.182 40.790 40.800 -0.320 0.000 0.996 622 D HN 0.282 nan 8.370 nan 0.000 0.505 623 Y N -0.035 120.308 120.300 0.072 0.000 2.584 623 Y HA 0.334 4.884 4.550 -0.001 0.000 0.254 623 Y C 1.531 177.562 175.900 0.219 0.000 1.177 623 Y CA -0.080 58.096 58.100 0.128 0.000 1.216 623 Y CB 0.961 39.483 38.460 0.103 0.000 1.172 623 Y HN -0.033 nan 8.280 nan 0.000 0.529 624 G N -0.701 108.255 108.800 0.259 0.000 2.168 624 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.257 624 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.257 624 G C -0.034 175.029 174.900 0.272 0.000 0.997 624 G CA -0.080 45.149 45.100 0.215 0.000 0.708 624 G HN 0.292 nan 8.290 nan 0.000 0.520 625 W N 0.217 121.561 121.300 0.075 0.000 2.183 625 W HA 0.535 5.194 4.660 -0.001 0.000 0.348 625 W C 0.646 177.185 176.519 0.033 0.000 1.257 625 W CA -0.204 57.170 57.345 0.048 0.000 1.324 625 W CB 0.462 29.951 29.460 0.050 0.000 1.144 625 W HN 0.218 nan 8.180 nan 0.000 0.622 626 D N 0.562 121.097 120.400 0.225 0.000 2.312 626 D HA 0.042 4.682 4.640 -0.001 0.000 0.252 626 D C 0.893 177.320 176.300 0.211 0.000 1.150 626 D CA -0.048 54.038 54.000 0.142 0.000 0.870 626 D CB 1.524 42.357 40.800 0.056 0.000 1.153 626 D HN 0.185 nan 8.370 nan 0.000 0.457 627 V N 3.635 123.643 119.914 0.156 0.000 2.469 627 V HA -0.239 3.881 4.120 -0.001 0.000 0.251 627 V C 1.750 177.933 176.094 0.148 0.000 1.064 627 V CA 2.493 64.879 62.300 0.143 0.000 1.066 627 V CB -0.475 31.403 31.823 0.093 0.000 0.667 627 V HN 0.819 nan 8.190 nan 0.000 0.461 628 T N -0.387 114.244 114.554 0.128 0.000 2.777 628 T HA -0.138 4.212 4.350 -0.001 0.000 0.266 628 T C 1.606 176.393 174.700 0.144 0.000 1.040 628 T CA 1.542 63.715 62.100 0.121 0.000 1.141 628 T CB -0.375 68.540 68.868 0.078 0.000 0.868 628 T HN 0.541 nan 8.240 nan 0.000 0.444 629 D N 1.424 121.920 120.400 0.159 0.000 2.104 629 D HA -0.049 4.591 4.640 -0.001 0.000 0.194 629 D C 2.375 178.867 176.300 0.319 0.000 0.994 629 D CA 1.363 55.482 54.000 0.199 0.000 0.830 629 D CB -0.485 40.419 40.800 0.174 0.000 0.959 629 D HN 0.382 nan 8.370 nan 0.000 0.452 630 A N 0.948 123.992 122.820 0.373 0.000 1.902 630 A HA -0.191 4.129 4.320 -0.001 0.000 0.217 630 A C 2.172 179.857 177.584 0.167 0.000 1.181 630 A CA 1.379 53.531 52.037 0.193 0.000 0.623 630 A CB -0.484 18.569 19.000 0.087 0.000 0.818 630 A HN 0.143 nan 8.150 nan 0.000 0.443 631 R N -0.412 120.220 120.500 0.221 0.000 2.189 631 R HA -0.019 4.321 4.340 -0.001 0.000 0.223 631 R C 0.903 177.387 176.300 0.307 0.000 1.092 631 R CA 1.218 57.528 56.100 0.351 0.000 0.989 631 R CB -0.120 30.397 30.300 0.362 0.000 0.876 631 R HN 0.382 nan 8.270 nan 0.000 0.457 632 K N 1.277 121.804 120.400 0.212 0.000 2.577 632 K HA 0.095 4.415 4.320 -0.001 0.000 0.210 632 K C -0.162 176.542 176.600 0.172 0.000 1.048 632 K CA -0.285 56.106 56.287 0.174 0.000 1.188 632 K CB 0.160 32.714 32.500 0.090 0.000 0.910 632 K HN 0.118 nan 8.250 nan 0.000 0.483 633 I N -2.229 118.456 120.570 0.192 0.000 2.533 633 I HA 0.055 4.225 4.170 -0.001 0.000 0.284 633 I C 0.564 176.869 176.117 0.313 0.000 1.109 633 I CA -0.107 61.288 61.300 0.158 0.000 1.412 633 I CB 0.478 38.513 38.000 0.058 0.000 1.396 633 I HN 0.048 nan 8.210 nan 0.000 0.543 634 W N 6.091 127.382 121.300 -0.015 0.000 2.523 634 W HA 0.248 4.908 4.660 -0.001 0.000 0.278 634 W C 0.636 177.183 176.519 0.046 0.000 1.236 634 W CA 0.352 57.694 57.345 -0.006 0.000 1.306 634 W CB -0.272 29.159 29.460 -0.048 0.000 1.101 634 W HN 0.945 nan 8.180 nan 0.000 0.577 635 C N -3.815 115.652 119.300 0.278 0.000 3.253 635 C HA 0.570 5.030 4.460 -0.001 0.000 0.342 635 C C -0.666 174.562 174.990 0.397 0.000 1.306 635 C CA -1.990 57.232 59.018 0.340 0.000 1.207 635 C CB 0.334 28.244 27.740 0.284 0.000 1.479 635 C HN -0.062 nan 8.230 nan 0.000 0.469 636 F N 0.800 120.857 119.950 0.179 0.000 2.483 636 F HA 0.784 5.310 4.527 -0.001 0.000 0.329 636 F C 1.027 176.999 175.800 0.286 0.000 1.064 636 F CA 0.349 58.479 58.000 0.217 0.000 0.986 636 F CB 2.481 41.553 39.000 0.122 0.000 1.218 636 F HN 1.140 nan 8.300 nan 0.000 0.484 637 G N 1.668 110.746 108.800 0.464 0.000 2.718 637 G HA2 0.626 4.586 3.960 -0.001 0.000 0.295 637 G HA3 0.626 4.586 3.960 -0.001 0.000 0.295 637 G C -3.379 171.558 174.900 0.061 0.000 1.421 637 G CA -1.590 43.636 45.100 0.210 0.000 0.902 637 G HN 0.196 nan 8.290 nan 0.000 0.501 638 P HA 0.284 nan 4.420 nan 0.000 0.279 638 P C -0.455 176.872 177.300 0.045 0.000 1.282 638 P CA -0.245 62.849 63.100 -0.010 0.000 0.788 638 P CB 0.581 32.255 31.700 -0.043 0.000 1.139 639 D N -1.302 119.118 120.400 0.032 0.000 2.882 639 D HA -0.220 4.420 4.640 -0.001 0.000 0.229 639 D C 1.020 177.350 176.300 0.050 0.000 1.167 639 D CA 1.661 55.679 54.000 0.030 0.000 0.759 639 D CB -1.826 38.984 40.800 0.017 0.000 1.088 639 D HN 0.855 nan 8.370 nan 0.000 0.425 640 G N 1.077 109.934 108.800 0.095 0.000 2.189 640 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.267 640 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.267 640 G C 0.606 175.560 174.900 0.090 0.000 0.975 640 G CA 1.147 46.312 45.100 0.109 0.000 0.644 640 G HN 0.705 nan 8.290 nan 0.000 0.537 641 N N -0.503 118.258 118.700 0.101 0.000 2.081 641 N HA 0.349 5.088 4.740 -0.001 0.000 0.230 641 N C 0.913 176.540 175.510 0.195 0.000 1.351 641 N CA 0.805 53.890 53.050 0.059 0.000 0.840 641 N CB -0.307 38.159 38.487 -0.035 0.000 1.189 641 N HN 0.742 nan 8.380 nan 0.000 0.503 642 G N 1.116 110.046 108.800 0.217 0.000 2.634 642 G HA2 0.324 4.283 3.960 -0.001 0.000 0.255 642 G HA3 0.324 4.283 3.960 -0.001 0.000 0.255 642 G C -2.085 172.955 174.900 0.233 0.000 1.205 642 G CA -1.133 44.074 45.100 0.177 0.000 0.884 642 G HN 0.067 nan 8.290 nan 0.000 0.549 643 P HA 0.100 nan 4.420 nan 0.000 0.228 643 P C -0.985 176.368 177.300 0.088 0.000 1.748 643 P CA -0.093 63.074 63.100 0.112 0.000 0.909 643 P CB -0.434 31.317 31.700 0.086 0.000 1.882 644 N N 0.298 119.073 118.700 0.125 0.000 2.308 644 N HA 0.586 5.326 4.740 -0.001 0.000 0.283 644 N C -1.075 174.610 175.510 0.291 0.000 1.105 644 N CA -0.637 52.538 53.050 0.208 0.000 0.840 644 N CB 2.000 40.584 38.487 0.161 0.000 1.633 644 N HN -0.051 nan 8.380 nan 0.000 0.476 645 L N 0.601 121.979 121.223 0.258 0.000 2.393 645 L HA 0.715 5.055 4.340 -0.001 0.000 0.260 645 L C -1.135 175.569 176.870 -0.277 0.000 1.002 645 L CA -1.175 53.651 54.840 -0.023 0.000 0.818 645 L CB 2.307 44.273 42.059 -0.154 0.000 1.369 645 L HN 0.189 nan 8.230 nan 0.000 0.412 646 V N 2.855 122.470 119.914 -0.497 0.000 2.384 646 V HA 0.470 4.590 4.120 -0.001 0.000 0.287 646 V C -0.633 175.314 176.094 -0.245 0.000 1.020 646 V CA -0.347 61.629 62.300 -0.540 0.000 0.850 646 V CB 1.819 33.253 31.823 -0.650 0.000 0.987 646 V HN 0.373 nan 8.190 nan 0.000 0.436 647 I N 3.947 124.379 120.570 -0.231 0.000 2.389 647 I HA 0.365 4.535 4.170 -0.001 0.000 0.288 647 I C -0.163 175.732 176.117 -0.369 0.000 0.999 647 I CA -0.541 60.649 61.300 -0.183 0.000 1.129 647 I CB 1.694 39.675 38.000 -0.030 0.000 1.288 647 I HN 0.578 nan 8.210 nan 0.000 0.444 648 D N 5.429 125.499 120.400 -0.550 0.000 2.339 648 D HA 0.178 4.818 4.640 -0.001 0.000 0.256 648 D C 0.010 176.128 176.300 -0.303 0.000 1.214 648 D CA 0.328 53.929 54.000 -0.666 0.000 0.877 648 D CB 0.806 41.048 40.800 -0.930 0.000 1.111 648 D HN 0.515 nan 8.370 nan 0.000 0.478 649 Q N 2.126 121.778 119.800 -0.247 0.000 2.135 649 Q HA 0.122 4.462 4.340 -0.001 0.000 0.222 649 Q C 0.201 176.132 176.000 -0.114 0.000 0.808 649 Q CA -0.303 55.416 55.803 -0.141 0.000 1.049 649 Q CB 0.777 29.442 28.738 -0.120 0.000 1.168 649 Q HN 0.653 nan 8.270 nan 0.000 0.483 650 T N -2.384 112.092 114.554 -0.129 0.000 2.813 650 T HA 0.249 4.599 4.350 -0.001 0.000 0.297 650 T C 0.816 175.490 174.700 -0.044 0.000 1.036 650 T CA -0.268 61.785 62.100 -0.078 0.000 1.044 650 T CB 1.669 70.501 68.868 -0.061 0.000 0.993 650 T HN 0.036 nan 8.240 nan 0.000 0.535 651 K N 0.390 120.771 120.400 -0.032 0.000 2.353 651 K HA 0.431 4.751 4.320 -0.001 0.000 0.206 651 K C 1.131 177.725 176.600 -0.010 0.000 1.191 651 K CA 0.231 56.506 56.287 -0.021 0.000 0.897 651 K CB 0.511 32.992 32.500 -0.031 0.000 1.283 651 K HN 0.632 nan 8.250 nan 0.000 0.477 652 A N 1.872 124.684 122.820 -0.013 0.000 3.105 652 A HA 0.336 4.656 4.320 -0.001 0.000 0.297 652 A C -0.618 176.963 177.584 -0.006 0.000 0.977 652 A CA -0.392 51.638 52.037 -0.012 0.000 1.020 652 A CB 0.308 19.295 19.000 -0.022 0.000 1.098 652 A HN -0.014 nan 8.150 nan 0.000 0.497 653 V N 1.674 121.599 119.914 0.018 0.000 2.368 653 V HA 0.051 4.171 4.120 -0.001 0.000 0.266 653 V C 1.256 177.360 176.094 0.017 0.000 1.045 653 V CA -0.005 62.318 62.300 0.038 0.000 0.899 653 V CB 0.612 32.487 31.823 0.087 0.000 1.006 653 V HN 0.858 nan 8.190 nan 0.000 0.470 654 Q N 3.233 122.986 119.800 -0.079 0.000 2.045 654 Q HA -0.184 4.156 4.340 -0.001 0.000 0.206 654 Q C 0.410 176.252 176.000 -0.264 0.000 0.991 654 Q CA 2.005 57.645 55.803 -0.272 0.000 0.851 654 Q CB -0.050 28.344 28.738 -0.573 0.000 0.911 654 Q HN 0.877 nan 8.270 nan 0.000 0.418 655 Y N -0.092 120.276 120.300 0.113 0.000 2.746 655 Y HA 0.082 4.632 4.550 -0.001 0.000 0.312 655 Y C 1.092 176.975 175.900 -0.027 0.000 1.117 655 Y CA -0.459 57.652 58.100 0.019 0.000 1.324 655 Y CB -0.077 38.365 38.460 -0.029 0.000 1.173 655 Y HN 0.113 nan 8.280 nan 0.000 0.529 656 L N 1.002 122.357 121.223 0.221 0.000 1.971 656 L HA -0.295 4.045 4.340 -0.001 0.000 0.215 656 L C 2.945 179.929 176.870 0.190 0.000 1.072 656 L CA 2.226 57.219 54.840 0.256 0.000 0.758 656 L CB -0.742 41.499 42.059 0.303 0.000 0.889 656 L HN 0.547 nan 8.230 nan 0.000 0.433 657 H N -0.802 118.335 119.070 0.112 0.000 2.460 657 H HA -0.174 4.381 4.556 -0.001 0.000 0.297 657 H C 1.578 176.903 175.328 -0.005 0.000 1.103 657 H CA 1.818 57.873 56.048 0.012 0.000 1.292 657 H CB -0.784 28.983 29.762 0.008 0.000 1.376 657 H HN 0.601 nan 8.280 nan 0.000 0.531 658 E N 0.836 120.709 120.200 -0.545 0.000 2.427 658 E HA 0.047 4.397 4.350 -0.001 0.000 0.196 658 E C 1.981 178.504 176.600 -0.130 0.000 1.028 658 E CA 0.800 57.004 56.400 -0.327 0.000 0.864 658 E CB 0.138 29.633 29.700 -0.341 0.000 0.813 658 E HN 0.767 nan 8.360 nan 0.000 0.514 659 I N -2.677 117.858 120.570 -0.057 0.000 4.082 659 I HA 0.172 4.342 4.170 -0.001 0.000 0.337 659 I C 1.972 178.091 176.117 0.002 0.000 1.352 659 I CA -0.237 61.073 61.300 0.017 0.000 1.097 659 I CB 0.242 38.304 38.000 0.104 0.000 1.048 659 I HN -0.181 nan 8.210 nan 0.000 0.393 660 K N 2.018 122.324 120.400 -0.155 0.000 2.001 660 K HA -0.243 4.077 4.320 -0.001 0.000 0.214 660 K C 1.525 177.979 176.600 -0.243 0.000 1.050 660 K CA 2.655 58.658 56.287 -0.473 0.000 0.934 660 K CB -0.129 31.890 32.500 -0.802 0.000 0.718 660 K HN 0.346 nan 8.250 nan 0.000 0.443 661 D N 0.014 120.316 120.400 -0.164 0.000 2.133 661 D HA -0.130 4.510 4.640 -0.001 0.000 0.195 661 D C 2.039 178.338 176.300 -0.002 0.000 0.997 661 D CA 1.223 55.176 54.000 -0.078 0.000 0.840 661 D CB -0.259 40.503 40.800 -0.062 0.000 0.947 661 D HN 0.182 nan 8.370 nan 0.000 0.452 662 S N -0.075 115.635 115.700 0.017 0.000 2.356 662 S HA -0.098 4.372 4.470 -0.001 0.000 0.223 662 S C 2.351 177.022 174.600 0.118 0.000 1.032 662 S CA 0.536 58.776 58.200 0.067 0.000 1.005 662 S CB -0.210 63.027 63.200 0.062 0.000 0.867 662 S HN 0.084 nan 8.310 nan 0.000 0.449 663 V N 1.564 121.569 119.914 0.152 0.000 2.287 663 V HA -0.155 3.965 4.120 -0.001 0.000 0.248 663 V C 2.316 178.555 176.094 0.241 0.000 1.053 663 V CA 1.488 63.927 62.300 0.232 0.000 1.027 663 V CB -0.746 31.336 31.823 0.432 0.000 0.646 663 V HN 0.324 nan 8.190 nan 0.000 0.447 664 V N 0.237 120.270 119.914 0.199 0.000 2.261 664 V HA -0.280 3.840 4.120 -0.001 0.000 0.246 664 V C 2.727 178.956 176.094 0.225 0.000 1.047 664 V CA 2.121 64.545 62.300 0.207 0.000 1.015 664 V CB -1.208 30.677 31.823 0.103 0.000 0.642 664 V HN 0.567 nan 8.190 nan 0.000 0.446 665 A N 0.026 122.941 122.820 0.159 0.000 1.908 665 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 665 A C 2.424 180.147 177.584 0.232 0.000 1.181 665 A CA 2.411 54.541 52.037 0.155 0.000 0.627 665 A CB -0.895 18.171 19.000 0.109 0.000 0.818 665 A HN 0.610 nan 8.150 nan 0.000 0.445 666 A N -1.593 121.373 122.820 0.243 0.000 1.933 666 A HA -0.049 4.271 4.320 -0.001 0.000 0.218 666 A C 2.037 179.760 177.584 0.231 0.000 1.175 666 A CA 1.622 53.805 52.037 0.244 0.000 0.628 666 A CB -0.676 18.406 19.000 0.137 0.000 0.814 666 A HN 0.633 nan 8.150 nan 0.000 0.444 667 F N 0.548 120.550 119.950 0.086 0.000 2.186 667 F HA -0.153 4.374 4.527 -0.001 0.000 0.299 667 F C 2.433 178.289 175.800 0.095 0.000 1.090 667 F CA 1.817 59.855 58.000 0.063 0.000 1.307 667 F CB -0.090 38.964 39.000 0.090 0.000 1.019 667 F HN 0.195 nan 8.300 nan 0.000 0.489 668 Q N -0.704 119.218 119.800 0.203 0.000 2.124 668 Q HA -0.239 4.100 4.340 -0.001 0.000 0.202 668 Q C 2.066 178.121 176.000 0.091 0.000 0.977 668 Q CA 1.453 57.314 55.803 0.096 0.000 0.850 668 Q CB -1.159 27.649 28.738 0.116 0.000 0.901 668 Q HN 0.600 nan 8.270 nan 0.000 0.429 669 W N 1.116 122.375 121.300 -0.069 0.000 2.378 669 W HA -0.006 4.654 4.660 -0.001 0.000 0.313 669 W C 2.240 178.687 176.519 -0.120 0.000 1.197 669 W CA 1.727 59.027 57.345 -0.075 0.000 1.304 669 W CB -0.835 28.595 29.460 -0.051 0.000 1.148 669 W HN 0.112 nan 8.180 nan 0.000 0.494 670 A N 0.081 122.879 122.820 -0.037 0.000 1.933 670 A HA -0.220 4.100 4.320 -0.001 0.000 0.218 670 A C 1.999 179.474 177.584 -0.180 0.000 1.175 670 A CA 3.168 55.061 52.037 -0.240 0.000 0.628 670 A CB -1.435 17.264 19.000 -0.503 0.000 0.814 670 A HN 0.388 nan 8.150 nan 0.000 0.444 671 T N -2.712 111.634 114.554 -0.347 0.000 3.023 671 T HA -0.035 4.315 4.350 -0.001 0.000 0.266 671 T C 1.733 176.321 174.700 -0.186 0.000 1.093 671 T CA 1.544 63.425 62.100 -0.364 0.000 1.129 671 T CB -0.063 68.464 68.868 -0.569 0.000 0.899 671 T HN 0.337 nan 8.240 nan 0.000 0.491 672 K N 2.044 122.390 120.400 -0.089 0.000 2.116 672 K HA 0.108 4.427 4.320 -0.001 0.000 0.203 672 K C 1.070 177.646 176.600 -0.038 0.000 1.052 672 K CA 0.822 57.084 56.287 -0.042 0.000 0.952 672 K CB 0.089 32.597 32.500 0.013 0.000 0.729 672 K HN 0.573 nan 8.250 nan 0.000 0.446 673 E N 0.279 120.490 120.200 0.018 0.000 2.346 673 E HA 0.275 4.624 4.350 -0.001 0.000 0.239 673 E C -0.652 175.906 176.600 -0.071 0.000 0.943 673 E CA -0.647 55.747 56.400 -0.011 0.000 0.751 673 E CB 0.563 30.329 29.700 0.111 0.000 1.241 673 E HN 0.353 nan 8.360 nan 0.000 0.423 674 G N 3.655 112.327 108.800 -0.213 0.000 2.614 674 G HA2 0.077 4.037 3.960 -0.001 0.000 0.239 674 G HA3 0.077 4.037 3.960 -0.001 0.000 0.239 674 G C -1.418 173.189 174.900 -0.488 0.000 1.240 674 G CA -0.865 44.010 45.100 -0.375 0.000 0.842 674 G HN 0.479 nan 8.290 nan 0.000 0.584 675 P HA 0.030 nan 4.420 nan 0.000 0.245 675 P C 1.650 178.814 177.300 -0.227 0.000 1.206 675 P CA 0.340 63.022 63.100 -0.696 0.000 0.781 675 P CB 0.366 31.511 31.700 -0.925 0.000 0.994 676 I N -0.134 120.394 120.570 -0.070 0.000 2.162 676 I HA -0.109 4.061 4.170 -0.001 0.000 0.238 676 I C 1.645 177.946 176.117 0.306 0.000 1.076 676 I CA 1.722 63.128 61.300 0.177 0.000 1.353 676 I CB -0.330 37.871 38.000 0.334 0.000 1.063 676 I HN -0.066 nan 8.210 nan 0.000 0.408 677 F N -1.572 118.339 119.950 -0.065 0.000 2.617 677 F HA 0.557 5.084 4.527 -0.001 0.000 0.357 677 F C 0.684 176.461 175.800 -0.039 0.000 1.315 677 F CA -0.207 57.778 58.000 -0.026 0.000 1.055 677 F CB -0.155 38.862 39.000 0.029 0.000 1.308 677 F HN 0.058 nan 8.300 nan 0.000 0.506 678 G N 0.275 108.953 108.800 -0.203 0.000 2.148 678 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.254 678 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.254 678 G C 0.048 174.732 174.900 -0.360 0.000 0.981 678 G CA 0.328 45.270 45.100 -0.263 0.000 0.670 678 G HN 0.454 nan 8.290 nan 0.000 0.528 679 E N 0.662 120.531 120.200 -0.553 0.000 2.345 679 E HA 0.342 4.692 4.350 -0.001 0.000 0.259 679 E C 0.747 177.179 176.600 -0.281 0.000 1.117 679 E CA -0.446 55.680 56.400 -0.456 0.000 0.913 679 E CB 0.546 29.896 29.700 -0.583 0.000 1.057 679 E HN 0.591 nan 8.360 nan 0.000 0.432 680 E N 0.885 120.954 120.200 -0.219 0.000 2.398 680 E HA 0.058 4.408 4.350 -0.001 0.000 0.263 680 E C 0.076 176.557 176.600 -0.198 0.000 1.046 680 E CA 0.123 56.411 56.400 -0.187 0.000 0.908 680 E CB 0.624 30.228 29.700 -0.160 0.000 0.963 680 E HN 0.224 nan 8.360 nan 0.000 0.431 681 M N 1.976 121.468 119.600 -0.180 0.000 2.247 681 M HA 0.306 4.786 4.480 -0.001 0.000 0.326 681 M C 0.186 176.415 176.300 -0.119 0.000 1.134 681 M CA 0.201 55.426 55.300 -0.125 0.000 1.136 681 M CB 0.960 33.489 32.600 -0.119 0.000 1.454 681 M HN 0.353 nan 8.290 nan 0.000 0.467 682 R N -0.291 120.168 120.500 -0.068 0.000 2.584 682 R HA 0.299 4.639 4.340 -0.001 0.000 0.276 682 R C -0.774 175.529 176.300 0.005 0.000 1.046 682 R CA -0.122 55.924 56.100 -0.090 0.000 0.906 682 R CB 1.434 31.576 30.300 -0.264 0.000 1.215 682 R HN 0.823 nan 8.270 nan 0.000 0.449 683 S N 0.605 116.326 115.700 0.035 0.000 3.635 683 S HA -0.125 4.344 4.470 -0.001 0.000 0.328 683 S C -0.455 174.200 174.600 0.092 0.000 1.135 683 S CA 0.873 59.113 58.200 0.066 0.000 0.942 683 S CB -1.242 61.992 63.200 0.055 0.000 0.930 683 S HN 0.375 nan 8.310 nan 0.000 0.512 684 V N 1.736 121.728 119.914 0.129 0.000 2.370 684 V HA 0.512 4.632 4.120 -0.001 0.000 0.283 684 V C 0.477 176.694 176.094 0.205 0.000 1.023 684 V CA -0.541 61.864 62.300 0.175 0.000 0.857 684 V CB 1.597 33.575 31.823 0.259 0.000 0.985 684 V HN 0.445 nan 8.190 nan 0.000 0.443 685 R N 4.090 124.672 120.500 0.137 0.000 2.393 685 R HA 0.745 5.084 4.340 -0.001 0.000 0.310 685 R C -1.726 174.612 176.300 0.063 0.000 0.968 685 R CA -0.399 55.763 56.100 0.103 0.000 0.867 685 R CB 1.836 32.155 30.300 0.032 0.000 1.124 685 R HN 0.507 nan 8.270 nan 0.000 0.450 686 V N 4.377 124.306 119.914 0.024 0.000 2.448 686 V HA 0.319 4.439 4.120 -0.001 0.000 0.295 686 V C -0.658 175.365 176.094 -0.118 0.000 1.025 686 V CA -0.880 61.408 62.300 -0.020 0.000 0.859 686 V CB 1.824 33.660 31.823 0.022 0.000 0.988 686 V HN 0.872 nan 8.190 nan 0.000 0.431 687 N N 4.660 123.297 118.700 -0.105 0.000 2.469 687 N HA 0.520 5.260 4.740 -0.001 0.000 0.253 687 N C -0.680 174.749 175.510 -0.135 0.000 0.970 687 N CA -0.538 52.429 53.050 -0.140 0.000 0.940 687 N CB 1.578 39.990 38.487 -0.125 0.000 1.128 687 N HN 0.585 nan 8.380 nan 0.000 0.503 688 I N 3.514 123.962 120.570 -0.203 0.000 2.406 688 I HA -0.004 4.166 4.170 -0.001 0.000 0.293 688 I C 1.129 177.166 176.117 -0.133 0.000 1.101 688 I CA -0.052 61.141 61.300 -0.178 0.000 1.334 688 I CB 0.492 38.304 38.000 -0.313 0.000 1.421 688 I HN 0.572 nan 8.210 nan 0.000 0.513 689 L N 4.344 125.537 121.223 -0.051 0.000 2.162 689 L HA 0.119 4.459 4.340 -0.001 0.000 0.205 689 L C 0.404 177.249 176.870 -0.041 0.000 1.086 689 L CA 0.940 55.754 54.840 -0.043 0.000 0.778 689 L CB -0.129 41.925 42.059 -0.009 0.000 0.928 689 L HN 0.647 nan 8.230 nan 0.000 0.446 690 D N -2.080 118.339 120.400 0.031 0.000 2.685 690 D HA 0.434 5.073 4.640 -0.001 0.000 0.236 690 D C -1.536 174.882 176.300 0.196 0.000 1.233 690 D CA -0.229 53.787 54.000 0.027 0.000 0.760 690 D CB 2.241 42.935 40.800 -0.176 0.000 1.410 690 D HN -0.290 nan 8.370 nan 0.000 0.439 691 V N 1.322 121.327 119.914 0.151 0.000 2.733 691 V HA 0.659 4.779 4.120 -0.001 0.000 0.306 691 V C -0.387 175.811 176.094 0.174 0.000 1.084 691 V CA -0.764 61.648 62.300 0.187 0.000 0.905 691 V CB 1.854 33.757 31.823 0.134 0.000 1.010 691 V HN 0.754 nan 8.190 nan 0.000 0.424 692 T N 3.350 118.025 114.554 0.203 0.000 2.786 692 T HA 0.861 5.211 4.350 -0.001 0.000 0.283 692 T C -0.817 173.978 174.700 0.158 0.000 0.992 692 T CA -0.553 61.647 62.100 0.168 0.000 0.954 692 T CB 1.102 70.081 68.868 0.185 0.000 0.934 692 T HN 0.382 nan 8.240 nan 0.000 0.440 693 L N 2.491 123.815 121.223 0.168 0.000 2.341 693 L HA 0.518 4.857 4.340 -0.001 0.000 0.267 693 L C 0.403 177.399 176.870 0.211 0.000 1.009 693 L CA -1.469 53.488 54.840 0.195 0.000 0.819 693 L CB 1.811 44.001 42.059 0.217 0.000 1.323 693 L HN 0.706 nan 8.230 nan 0.000 0.425 694 H N 0.980 120.127 119.070 0.128 0.000 2.707 694 H HA 0.153 4.709 4.556 -0.001 0.000 0.359 694 H C 0.591 175.968 175.328 0.083 0.000 1.113 694 H CA 0.489 56.601 56.048 0.107 0.000 1.422 694 H CB 1.992 31.796 29.762 0.069 0.000 1.443 694 H HN 0.805 nan 8.280 nan 0.000 0.591 695 A N 4.506 127.288 122.820 -0.063 0.000 1.940 695 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 695 A C 0.473 178.098 177.584 0.068 0.000 1.176 695 A CA 1.283 53.371 52.037 0.085 0.000 0.631 695 A CB -0.064 18.942 19.000 0.010 0.000 0.814 695 A HN 0.736 nan 8.150 nan 0.000 0.446 696 D N -0.385 120.230 120.400 0.359 0.000 2.280 696 D HA 0.475 5.115 4.640 -0.001 0.000 0.243 696 D C 1.059 177.317 176.300 -0.071 0.000 1.129 696 D CA 0.536 54.589 54.000 0.088 0.000 0.848 696 D CB 1.519 42.387 40.800 0.114 0.000 1.107 696 D HN 0.177 nan 8.370 nan 0.000 0.471 697 A N 3.266 125.970 122.820 -0.193 0.000 2.032 697 A HA -0.203 4.116 4.320 -0.001 0.000 0.221 697 A C 1.974 179.443 177.584 -0.191 0.000 1.165 697 A CA 0.814 52.732 52.037 -0.198 0.000 0.645 697 A CB -0.624 18.257 19.000 -0.198 0.000 0.807 697 A HN 0.743 nan 8.150 nan 0.000 0.453 698 I N -1.453 118.957 120.570 -0.267 0.000 2.423 698 I HA -0.235 3.935 4.170 -0.001 0.000 0.254 698 I C 1.408 177.227 176.117 -0.497 0.000 1.151 698 I CA 1.413 62.478 61.300 -0.392 0.000 1.421 698 I CB -0.110 37.577 38.000 -0.522 0.000 1.079 698 I HN 0.421 nan 8.210 nan 0.000 0.431 699 H N 0.724 119.648 119.070 -0.242 0.000 2.594 699 H HA 0.299 4.855 4.556 -0.001 0.000 0.279 699 H C 0.520 175.770 175.328 -0.130 0.000 1.042 699 H CA 0.029 55.911 56.048 -0.276 0.000 1.177 699 H CB 0.334 29.713 29.762 -0.638 0.000 1.524 699 H HN 0.394 nan 8.280 nan 0.000 0.537 700 R N 0.569 121.057 120.500 -0.021 0.000 2.662 700 R HA 0.236 4.576 4.340 -0.001 0.000 0.396 700 R C 0.858 177.150 176.300 -0.015 0.000 1.096 700 R CA -0.258 55.847 56.100 0.009 0.000 1.081 700 R CB 1.265 31.564 30.300 -0.002 0.000 1.382 700 R HN 0.039 nan 8.270 nan 0.000 0.580 701 G N -0.562 108.222 108.800 -0.026 0.000 2.651 701 G HA2 0.223 4.183 3.960 -0.001 0.000 0.260 701 G HA3 0.223 4.183 3.960 -0.001 0.000 0.260 701 G C 1.052 175.956 174.900 0.007 0.000 1.216 701 G CA -0.063 45.022 45.100 -0.024 0.000 0.913 701 G HN 0.177 nan 8.290 nan 0.000 0.535 702 G N -0.199 108.607 108.800 0.009 0.000 2.440 702 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.218 702 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.218 702 G C 1.783 176.715 174.900 0.054 0.000 1.154 702 G CA 1.389 46.509 45.100 0.034 0.000 0.767 702 G HN 1.010 nan 8.290 nan 0.000 0.552 703 G N -0.658 108.167 108.800 0.042 0.000 2.501 703 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.220 703 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.220 703 G C 1.792 176.728 174.900 0.060 0.000 1.114 703 G CA 1.053 46.187 45.100 0.056 0.000 0.757 703 G HN 0.418 nan 8.290 nan 0.000 0.559 704 Q N -0.573 119.258 119.800 0.053 0.000 2.387 704 Q HA 0.254 4.594 4.340 -0.001 0.000 0.212 704 Q C 2.685 178.720 176.000 0.057 0.000 0.925 704 Q CA 0.185 56.022 55.803 0.057 0.000 0.901 704 Q CB 0.081 28.855 28.738 0.060 0.000 1.020 704 Q HN 0.541 nan 8.270 nan 0.000 0.545 705 I N 0.647 121.253 120.570 0.060 0.000 2.406 705 I HA -0.147 4.022 4.170 -0.001 0.000 0.249 705 I C 2.224 178.382 176.117 0.069 0.000 1.122 705 I CA 0.584 61.923 61.300 0.065 0.000 1.431 705 I CB -0.124 37.919 38.000 0.072 0.000 1.087 705 I HN 0.068 nan 8.210 nan 0.000 0.424 706 I N 1.342 121.965 120.570 0.088 0.000 2.127 706 I HA -0.221 3.949 4.170 -0.001 0.000 0.241 706 I C -0.360 175.797 176.117 0.067 0.000 1.075 706 I CA 1.918 63.290 61.300 0.119 0.000 1.334 706 I CB -1.636 36.476 38.000 0.188 0.000 1.040 706 I HN 0.152 nan 8.210 nan 0.000 0.405 707 P HA -0.117 nan 4.420 nan 0.000 0.217 707 P C 1.587 178.858 177.300 -0.049 0.000 1.150 707 P CA 1.499 64.584 63.100 -0.026 0.000 0.832 707 P CB -0.102 31.608 31.700 0.017 0.000 0.787 708 T N -0.690 113.858 114.554 -0.011 0.000 2.708 708 T HA -0.173 4.176 4.350 -0.001 0.000 0.266 708 T C 1.739 176.418 174.700 -0.035 0.000 1.037 708 T CA 1.590 63.680 62.100 -0.017 0.000 1.146 708 T CB -0.707 68.164 68.868 0.005 0.000 0.865 708 T HN 0.053 nan 8.240 nan 0.000 0.435 709 M N 1.320 120.911 119.600 -0.016 0.000 2.132 709 M HA 0.058 4.537 4.480 -0.001 0.000 0.263 709 M C 2.171 178.409 176.300 -0.103 0.000 1.065 709 M CA 1.492 56.783 55.300 -0.014 0.000 1.122 709 M CB -0.384 32.248 32.600 0.055 0.000 1.365 709 M HN 0.025 nan 8.290 nan 0.000 0.411 710 R N -0.562 119.821 120.500 -0.196 0.000 2.081 710 R HA -0.166 4.174 4.340 -0.001 0.000 0.235 710 R C 2.512 178.477 176.300 -0.558 0.000 1.131 710 R CA 1.875 57.682 56.100 -0.488 0.000 0.960 710 R CB -0.331 29.597 30.300 -0.622 0.000 0.856 710 R HN 0.460 nan 8.270 nan 0.000 0.436 711 R N -0.149 120.210 120.500 -0.235 0.000 2.075 711 R HA -0.077 4.263 4.340 -0.001 0.000 0.232 711 R C 2.089 178.398 176.300 0.016 0.000 1.126 711 R CA 1.496 57.593 56.100 -0.004 0.000 0.963 711 R CB -0.275 30.067 30.300 0.071 0.000 0.858 711 R HN 0.308 nan 8.270 nan 0.000 0.435 712 A N -0.137 122.664 122.820 -0.031 0.000 1.930 712 A HA -0.104 4.216 4.320 -0.001 0.000 0.217 712 A C 2.134 179.726 177.584 0.013 0.000 1.175 712 A CA 1.880 53.918 52.037 0.003 0.000 0.627 712 A CB -0.749 18.233 19.000 -0.030 0.000 0.815 712 A HN 0.434 nan 8.150 nan 0.000 0.443 713 T N -0.949 113.569 114.554 -0.060 0.000 2.708 713 T HA -0.140 4.210 4.350 -0.001 0.000 0.266 713 T C 1.756 176.480 174.700 0.040 0.000 1.037 713 T CA 1.711 63.802 62.100 -0.015 0.000 1.146 713 T CB -0.451 68.378 68.868 -0.065 0.000 0.865 713 T HN 0.508 nan 8.240 nan 0.000 0.435 714 Y N 1.611 121.814 120.300 -0.162 0.000 2.165 714 Y HA 0.001 4.551 4.550 -0.001 0.000 0.286 714 Y C 2.721 178.508 175.900 -0.187 0.000 1.155 714 Y CA 0.071 57.958 58.100 -0.355 0.000 1.164 714 Y CB -1.347 36.576 38.460 -0.895 0.000 0.978 714 Y HN 0.211 nan 8.280 nan 0.000 0.513 715 A N 0.048 122.936 122.820 0.113 0.000 1.877 715 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 715 A C 2.699 180.419 177.584 0.225 0.000 1.186 715 A CA 1.829 54.040 52.037 0.290 0.000 0.620 715 A CB -1.446 17.785 19.000 0.385 0.000 0.822 715 A HN 0.444 nan 8.150 nan 0.000 0.443 716 G N -1.231 107.666 108.800 0.162 0.000 2.440 716 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.218 716 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.218 716 G C 1.494 176.454 174.900 0.099 0.000 1.154 716 G CA 1.176 46.335 45.100 0.097 0.000 0.767 716 G HN 0.495 nan 8.290 nan 0.000 0.552 717 F N 0.665 120.632 119.950 0.028 0.000 2.069 717 F HA -0.069 4.457 4.527 -0.001 0.000 0.298 717 F C 2.352 178.163 175.800 0.018 0.000 1.113 717 F CA 1.091 59.106 58.000 0.026 0.000 1.214 717 F CB -0.167 38.861 39.000 0.048 0.000 0.978 717 F HN 0.030 nan 8.300 nan 0.000 0.474 718 L N 0.352 121.763 121.223 0.313 0.000 2.191 718 L HA -0.164 4.176 4.340 -0.001 0.000 0.212 718 L C 2.099 178.993 176.870 0.040 0.000 1.103 718 L CA 1.443 56.428 54.840 0.241 0.000 0.769 718 L CB -1.207 41.086 42.059 0.390 0.000 0.908 718 L HN 0.287 nan 8.230 nan 0.000 0.438 719 L N -1.229 119.937 121.223 -0.095 0.000 2.492 719 L HA 0.039 4.379 4.340 -0.001 0.000 0.223 719 L C 1.617 178.328 176.870 -0.264 0.000 1.132 719 L CA 0.363 54.990 54.840 -0.355 0.000 0.850 719 L CB -0.279 41.515 42.059 -0.443 0.000 0.966 719 L HN 0.190 nan 8.230 nan 0.000 0.454 720 A N -0.609 122.075 122.820 -0.226 0.000 2.640 720 A HA 0.097 4.416 4.320 -0.001 0.000 0.282 720 A C 0.148 177.587 177.584 -0.242 0.000 1.357 720 A CA -0.231 51.668 52.037 -0.231 0.000 0.946 720 A CB -0.414 18.444 19.000 -0.237 0.000 1.065 720 A HN 0.371 nan 8.150 nan 0.000 0.541 721 D N -0.446 119.836 120.400 -0.195 0.000 3.082 721 D HA -0.097 4.543 4.640 -0.001 0.000 0.234 721 D C -2.624 173.556 176.300 -0.199 0.000 1.159 721 D CA 0.354 54.265 54.000 -0.148 0.000 0.875 721 D CB -0.786 39.946 40.800 -0.114 0.000 0.946 721 D HN 0.306 nan 8.370 nan 0.000 0.411 722 P HA 0.259 nan 4.420 nan 0.000 0.266 722 P C -0.389 176.860 177.300 -0.084 0.000 1.195 722 P CA 0.214 63.148 63.100 -0.276 0.000 0.768 722 P CB 0.665 32.319 31.700 -0.078 0.000 0.838 723 K N 1.630 122.011 120.400 -0.031 0.000 2.536 723 K HA 0.643 4.963 4.320 -0.001 0.000 0.269 723 K C -0.760 175.920 176.600 0.133 0.000 0.965 723 K CA -0.773 55.540 56.287 0.042 0.000 0.860 723 K CB 1.475 33.986 32.500 0.017 0.000 1.423 723 K HN 0.456 nan 8.250 nan 0.000 0.438 724 I N -1.791 118.861 120.570 0.137 0.000 2.693 724 I HA 0.551 4.720 4.170 -0.001 0.000 0.303 724 I C -0.870 175.382 176.117 0.225 0.000 1.025 724 I CA -0.754 60.672 61.300 0.209 0.000 1.086 724 I CB 2.075 40.201 38.000 0.210 0.000 1.268 724 I HN 0.320 nan 8.210 nan 0.000 0.440 725 Q N 4.026 123.994 119.800 0.280 0.000 2.312 725 Q HA 0.385 4.725 4.340 -0.001 0.000 0.263 725 Q C -1.096 175.257 176.000 0.589 0.000 0.995 725 Q CA -0.758 55.253 55.803 0.348 0.000 0.853 725 Q CB 2.588 31.483 28.738 0.261 0.000 1.300 725 Q HN 0.757 nan 8.270 nan 0.000 0.448 726 E N 1.766 122.299 120.200 0.555 0.000 2.212 726 E HA 0.568 4.918 4.350 -0.001 0.000 0.270 726 E C -2.649 174.106 176.600 0.259 0.000 0.956 726 E CA -2.448 54.242 56.400 0.483 0.000 0.825 726 E CB 1.386 31.320 29.700 0.390 0.000 1.167 726 E HN 0.157 nan 8.360 nan 0.000 0.400 727 P HA 0.137 nan 4.420 nan 0.000 0.279 727 P C -0.940 176.098 177.300 -0.437 0.000 1.239 727 P CA -0.473 62.309 63.100 -0.529 0.000 0.789 727 P CB 1.109 32.351 31.700 -0.764 0.000 0.933 728 V N 4.074 123.656 119.914 -0.553 0.000 2.588 728 V HA 0.388 4.508 4.120 -0.001 0.000 0.304 728 V C -0.224 175.540 176.094 -0.550 0.000 1.042 728 V CA -0.487 61.445 62.300 -0.612 0.000 0.877 728 V CB 1.203 32.506 31.823 -0.867 0.000 0.996 728 V HN 0.332 nan 8.190 nan 0.000 0.425 729 F N 3.730 123.515 119.950 -0.276 0.000 2.371 729 F HA 0.581 5.108 4.527 -0.000 0.000 0.329 729 F C 0.066 175.820 175.800 -0.077 0.000 1.107 729 F CA -1.078 56.813 58.000 -0.182 0.000 1.137 729 F CB 1.412 40.321 39.000 -0.150 0.000 1.214 729 F HN 0.302 nan 8.300 nan 0.000 0.536 730 L N 3.963 125.306 121.223 0.200 0.000 2.262 730 L HA 0.567 4.906 4.340 -0.001 0.000 0.288 730 L C -0.995 175.898 176.870 0.038 0.000 1.035 730 L CA -0.476 54.473 54.840 0.183 0.000 0.820 730 L CB 0.920 43.069 42.059 0.149 0.000 1.204 730 L HN 0.361 nan 8.230 nan 0.000 0.424 731 V N 5.950 125.862 119.914 -0.003 0.000 2.427 731 V HA 0.535 4.655 4.120 -0.001 0.000 0.286 731 V C -0.521 175.556 176.094 -0.029 0.000 1.034 731 V CA -0.369 61.892 62.300 -0.064 0.000 0.893 731 V CB 1.669 33.413 31.823 -0.131 0.000 0.982 731 V HN 0.962 nan 8.190 nan 0.000 0.452 732 E N 6.410 126.602 120.200 -0.014 0.000 2.191 732 E HA 0.568 4.918 4.350 -0.001 0.000 0.263 732 E C -1.427 175.198 176.600 0.043 0.000 0.881 732 E CA -0.639 55.767 56.400 0.010 0.000 0.757 732 E CB 1.518 31.221 29.700 0.004 0.000 1.147 732 E HN 0.743 nan 8.360 nan 0.000 0.414 733 I N 3.905 124.507 120.570 0.052 0.000 2.418 733 I HA 0.246 4.415 4.170 -0.001 0.000 0.287 733 I C -0.492 175.673 176.117 0.080 0.000 1.008 733 I CA -0.923 60.422 61.300 0.075 0.000 1.104 733 I CB 1.833 39.868 38.000 0.058 0.000 1.264 733 I HN 0.465 nan 8.210 nan 0.000 0.438 734 Q N 5.178 125.049 119.800 0.119 0.000 2.235 734 Q HA 0.708 5.048 4.340 -0.001 0.000 0.250 734 Q C -0.713 175.384 176.000 0.162 0.000 0.909 734 Q CA -0.103 55.774 55.803 0.123 0.000 0.910 734 Q CB 1.858 30.654 28.738 0.097 0.000 1.223 734 Q HN 0.852 nan 8.270 nan 0.000 0.432 735 C N 0.039 119.427 119.300 0.147 0.000 3.176 735 C HA 0.647 5.106 4.460 -0.001 0.000 0.343 735 C C -2.952 172.133 174.990 0.159 0.000 1.332 735 C CA -1.855 57.241 59.018 0.131 0.000 1.200 735 C CB 0.511 28.276 27.740 0.041 0.000 1.440 735 C HN 0.577 nan 8.230 nan 0.000 0.458 736 P HA 0.285 nan 4.420 nan 0.000 0.274 736 P C 0.733 178.120 177.300 0.144 0.000 1.231 736 P CA 0.184 63.374 63.100 0.150 0.000 0.790 736 P CB 0.603 32.353 31.700 0.083 0.000 0.951 737 E N 1.809 122.156 120.200 0.245 0.000 2.065 737 E HA -0.332 4.018 4.350 -0.001 0.000 0.201 737 E C 1.153 177.678 176.600 -0.125 0.000 1.016 737 E CA 1.702 58.094 56.400 -0.013 0.000 0.818 737 E CB -0.152 29.668 29.700 0.199 0.000 0.749 737 E HN 0.408 nan 8.360 nan 0.000 0.453 738 Q N -0.205 119.579 119.800 -0.027 0.000 2.541 738 Q HA 0.025 4.365 4.340 -0.001 0.000 0.215 738 Q C 1.224 177.198 176.000 -0.043 0.000 0.977 738 Q CA 1.137 56.920 55.803 -0.032 0.000 0.934 738 Q CB -0.074 28.669 28.738 0.009 0.000 0.988 738 Q HN 0.321 nan 8.270 nan 0.000 0.521 739 A N -0.188 122.591 122.820 -0.069 0.000 2.229 739 A HA 0.189 4.508 4.320 -0.001 0.000 0.211 739 A C 1.886 179.377 177.584 -0.154 0.000 1.193 739 A CA 0.057 52.037 52.037 -0.095 0.000 0.879 739 A CB 0.028 18.973 19.000 -0.092 0.000 0.911 739 A HN 0.185 nan 8.150 nan 0.000 0.492 740 V N 0.463 120.255 119.914 -0.204 0.000 2.380 740 V HA -0.258 3.862 4.120 -0.001 0.000 0.251 740 V C 2.759 178.655 176.094 -0.331 0.000 1.063 740 V CA 2.112 64.220 62.300 -0.321 0.000 1.055 740 V CB -1.340 30.243 31.823 -0.400 0.000 0.657 740 V HN 0.577 nan 8.190 nan 0.000 0.455 741 G N 0.030 108.747 108.800 -0.138 0.000 2.450 741 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.220 741 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.220 741 G C 1.586 176.457 174.900 -0.050 0.000 1.130 741 G CA 0.940 46.033 45.100 -0.011 0.000 0.760 741 G HN 0.600 nan 8.290 nan 0.000 0.557 742 G N 1.079 109.813 108.800 -0.110 0.000 2.418 742 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.217 742 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.217 742 G C 1.748 176.565 174.900 -0.138 0.000 1.158 742 G CA 0.781 45.814 45.100 -0.112 0.000 0.771 742 G HN 0.449 nan 8.290 nan 0.000 0.545 743 I N -0.279 120.150 120.570 -0.235 0.000 2.127 743 I HA -0.252 3.918 4.170 -0.001 0.000 0.241 743 I C 2.512 178.539 176.117 -0.149 0.000 1.075 743 I CA 1.265 62.418 61.300 -0.246 0.000 1.334 743 I CB -0.434 37.324 38.000 -0.404 0.000 1.040 743 I HN 0.116 nan 8.210 nan 0.000 0.405 744 Y N 0.471 120.772 120.300 0.001 0.000 2.165 744 Y HA -0.257 4.292 4.550 -0.001 0.000 0.286 744 Y C 3.051 178.963 175.900 0.020 0.000 1.155 744 Y CA 1.448 59.555 58.100 0.012 0.000 1.164 744 Y CB -1.250 37.204 38.460 -0.009 0.000 0.978 744 Y HN 0.152 nan 8.280 nan 0.000 0.513 745 S N -0.261 115.522 115.700 0.138 0.000 2.359 745 S HA -0.164 4.306 4.470 -0.001 0.000 0.224 745 S C 2.184 176.828 174.600 0.072 0.000 1.035 745 S CA 1.669 59.921 58.200 0.086 0.000 1.018 745 S CB -0.726 62.500 63.200 0.044 0.000 0.876 745 S HN 0.186 nan 8.310 nan 0.000 0.448 746 V N 2.176 122.117 119.914 0.044 0.000 2.358 746 V HA -0.108 4.012 4.120 -0.001 0.000 0.246 746 V C 2.463 178.650 176.094 0.155 0.000 1.047 746 V CA 1.748 64.079 62.300 0.053 0.000 1.035 746 V CB -0.773 31.013 31.823 -0.061 0.000 0.658 746 V HN 0.473 nan 8.190 nan 0.000 0.452 747 L N 0.477 121.817 121.223 0.195 0.000 2.079 747 L HA -0.198 4.142 4.340 -0.001 0.000 0.210 747 L C 2.395 179.361 176.870 0.159 0.000 1.081 747 L CA 1.498 56.468 54.840 0.218 0.000 0.752 747 L CB -0.737 41.448 42.059 0.211 0.000 0.896 747 L HN 0.427 nan 8.230 nan 0.000 0.433 748 N N 0.281 119.064 118.700 0.138 0.000 2.381 748 N HA -0.134 4.605 4.740 -0.001 0.000 0.182 748 N C 1.436 177.001 175.510 0.091 0.000 1.025 748 N CA 1.032 54.145 53.050 0.104 0.000 0.888 748 N CB -0.037 38.504 38.487 0.089 0.000 0.965 748 N HN 0.435 nan 8.380 nan 0.000 0.438 749 K N 0.429 120.888 120.400 0.098 0.000 2.393 749 K HA 0.139 4.458 4.320 -0.001 0.000 0.193 749 K C 0.395 177.054 176.600 0.099 0.000 1.026 749 K CA 0.429 56.768 56.287 0.087 0.000 1.064 749 K CB 0.458 33.006 32.500 0.079 0.000 0.833 749 K HN 0.066 nan 8.250 nan 0.000 0.521 750 K N 0.595 121.066 120.400 0.118 0.000 2.826 750 K HA 0.239 4.559 4.320 -0.001 0.000 0.206 750 K C -0.714 175.939 176.600 0.089 0.000 1.116 750 K CA -0.204 56.151 56.287 0.114 0.000 1.045 750 K CB 0.895 33.492 32.500 0.162 0.000 0.758 750 K HN -0.001 nan 8.250 nan 0.000 0.465 751 R N -0.082 120.469 120.500 0.085 0.000 3.627 751 R HA -0.163 4.177 4.340 -0.001 0.000 0.281 751 R C 0.467 176.819 176.300 0.087 0.000 1.140 751 R CA 0.563 56.710 56.100 0.078 0.000 0.761 751 R CB -2.134 28.206 30.300 0.067 0.000 1.181 751 R HN 0.466 nan 8.270 nan 0.000 0.472 752 G N 0.550 109.410 108.800 0.100 0.000 2.572 752 G HA2 0.269 4.229 3.960 -0.001 0.000 0.261 752 G HA3 0.269 4.229 3.960 -0.001 0.000 0.261 752 G C -0.423 174.550 174.900 0.122 0.000 1.197 752 G CA -0.301 44.864 45.100 0.109 0.000 0.870 752 G HN 0.208 nan 8.290 nan 0.000 0.548 753 Q N 0.548 120.429 119.800 0.135 0.000 2.350 753 Q HA 0.380 4.719 4.340 -0.001 0.000 0.255 753 Q C -0.919 175.121 176.000 0.067 0.000 0.951 753 Q CA -0.646 55.231 55.803 0.124 0.000 0.751 753 Q CB 1.780 30.630 28.738 0.187 0.000 1.296 753 Q HN 0.392 nan 8.270 nan 0.000 0.453 754 V N 4.153 124.112 119.914 0.074 0.000 2.694 754 V HA -0.027 4.093 4.120 -0.001 0.000 0.306 754 V C 0.924 177.000 176.094 -0.031 0.000 1.054 754 V CA 0.339 62.679 62.300 0.067 0.000 1.161 754 V CB 1.078 32.988 31.823 0.145 0.000 0.916 754 V HN 0.801 nan 8.190 nan 0.000 0.490 755 V N 2.878 122.733 119.914 -0.099 0.000 2.806 755 V HA 0.175 4.295 4.120 -0.001 0.000 0.239 755 V C 0.695 176.748 176.094 -0.068 0.000 1.113 755 V CA 1.332 63.531 62.300 -0.167 0.000 1.137 755 V CB 0.939 32.538 31.823 -0.373 0.000 0.865 755 V HN 1.011 nan 8.190 nan 0.000 0.482 756 S N -0.712 114.973 115.700 -0.025 0.000 2.588 756 S HA 0.598 5.068 4.470 -0.001 0.000 0.269 756 S C -1.161 173.482 174.600 0.072 0.000 1.157 756 S CA -0.673 57.539 58.200 0.018 0.000 0.824 756 S CB 2.662 65.862 63.200 0.000 0.000 1.126 756 S HN 0.299 nan 8.310 nan 0.000 0.464 757 E N 0.912 121.172 120.200 0.100 0.000 2.373 757 E HA 0.336 4.686 4.350 -0.001 0.000 0.251 757 E C -0.975 175.726 176.600 0.168 0.000 0.923 757 E CA -0.323 56.178 56.400 0.168 0.000 0.798 757 E CB 0.807 30.634 29.700 0.212 0.000 1.303 757 E HN 0.748 nan 8.360 nan 0.000 0.412 758 E N 3.042 123.322 120.200 0.133 0.000 2.299 758 E HA 0.476 4.826 4.350 -0.001 0.000 0.260 758 E C -0.381 176.204 176.600 -0.025 0.000 0.944 758 E CA -0.954 55.480 56.400 0.057 0.000 0.815 758 E CB 1.989 31.699 29.700 0.017 0.000 1.252 758 E HN 0.322 nan 8.360 nan 0.000 0.418 764 P HA 0.553 nan 4.420 nan 0.000 0.313 764 P C 0.425 177.658 177.300 -0.112 0.000 1.419 764 P CA -0.471 62.569 63.100 -0.099 0.000 0.842 764 P CB 0.431 32.074 31.700 -0.094 0.000 2.041 765 L N -2.679 118.485 121.223 -0.100 0.000 2.793 765 L HA 0.435 4.775 4.340 -0.001 0.000 0.242 765 L C -0.182 176.591 176.870 -0.161 0.000 1.315 765 L CA -0.875 53.932 54.840 -0.054 0.000 1.263 765 L CB -0.062 42.017 42.059 0.033 0.000 2.076 765 L HN 0.018 nan 8.230 nan 0.000 0.575 766 F N -0.427 119.522 119.950 -0.001 0.000 2.492 766 F HA 0.439 4.966 4.527 -0.000 0.000 0.327 766 F C 0.070 175.869 175.800 -0.003 0.000 1.079 766 F CA -0.523 57.475 58.000 -0.002 0.000 0.967 766 F CB 2.038 41.035 39.000 -0.005 0.000 1.169 766 F HN 0.252 nan 8.300 nan 0.000 0.472 767 T N 0.610 115.277 114.554 0.189 0.000 2.864 767 T HA 0.674 5.024 4.350 -0.001 0.000 0.299 767 T C -1.060 173.707 174.700 0.111 0.000 1.011 767 T CA -0.736 61.429 62.100 0.109 0.000 0.975 767 T CB 0.569 69.466 68.868 0.048 0.000 0.962 767 T HN 0.262 nan 8.240 nan 0.000 0.448 768 V N 4.155 124.114 119.914 0.075 0.000 2.394 768 V HA 0.511 4.630 4.120 -0.001 0.000 0.282 768 V C 0.142 176.250 176.094 0.023 0.000 1.031 768 V CA -0.760 61.568 62.300 0.046 0.000 0.881 768 V CB 1.387 33.189 31.823 -0.036 0.000 0.982 768 V HN 0.826 nan 8.190 nan 0.000 0.451 769 K N 3.033 123.440 120.400 0.011 0.000 2.207 769 K HA 0.908 5.228 4.320 -0.001 0.000 0.255 769 K C -0.515 176.040 176.600 -0.074 0.000 0.941 769 K CA -0.441 55.825 56.287 -0.036 0.000 0.825 769 K CB 2.344 34.809 32.500 -0.058 0.000 1.119 769 K HN 0.867 nan 8.250 nan 0.000 0.430 770 A N 1.772 124.527 122.820 -0.109 0.000 2.599 770 A HA 0.539 4.859 4.320 -0.001 0.000 0.290 770 A C -2.056 175.462 177.584 -0.109 0.000 1.101 770 A CA -0.759 51.196 52.037 -0.136 0.000 0.674 770 A CB 0.676 19.677 19.000 0.002 0.000 1.277 770 A HN 0.509 nan 8.150 nan 0.000 0.419 771 Y N -0.270 120.051 120.300 0.035 0.000 2.323 771 Y HA 0.655 5.204 4.550 -0.000 0.000 0.331 771 Y C -0.170 175.717 175.900 -0.022 0.000 1.092 771 Y CA -0.919 57.191 58.100 0.017 0.000 1.150 771 Y CB 1.710 40.220 38.460 0.083 0.000 1.200 771 Y HN 0.588 nan 8.280 nan 0.000 0.472 772 L N 6.564 127.856 121.223 0.115 0.000 2.441 772 L HA 0.644 4.983 4.340 -0.001 0.000 0.270 772 L C -2.941 173.892 176.870 -0.062 0.000 0.973 772 L CA -2.348 52.483 54.840 -0.015 0.000 0.842 772 L CB 2.019 43.972 42.059 -0.177 0.000 1.239 772 L HN 0.284 nan 8.230 nan 0.000 0.406 773 P HA 0.045 nan 4.420 nan 0.000 0.265 773 P C 0.912 178.058 177.300 -0.256 0.000 1.193 773 P CA -0.068 62.940 63.100 -0.152 0.000 0.765 773 P CB 0.805 32.470 31.700 -0.058 0.000 0.823 774 V N 2.804 122.444 119.914 -0.457 0.000 2.392 774 V HA -0.266 3.854 4.120 -0.001 0.000 0.249 774 V C 1.800 177.570 176.094 -0.540 0.000 1.059 774 V CA 2.430 64.333 62.300 -0.663 0.000 1.051 774 V CB -1.326 29.988 31.823 -0.849 0.000 0.658 774 V HN 0.679 nan 8.190 nan 0.000 0.455 775 N N 0.073 118.593 118.700 -0.300 0.000 2.571 775 N HA -0.113 4.626 4.740 -0.001 0.000 0.189 775 N C 1.117 176.535 175.510 -0.153 0.000 1.154 775 N CA 0.722 53.674 53.050 -0.164 0.000 0.907 775 N CB -0.203 38.364 38.487 0.133 0.000 0.977 775 N HN 0.458 nan 8.380 nan 0.000 0.449 776 E N -0.655 119.427 120.200 -0.197 0.000 2.562 776 E HA 0.080 4.429 4.350 -0.001 0.000 0.214 776 E C 0.497 177.046 176.600 -0.085 0.000 0.979 776 E CA 0.190 56.547 56.400 -0.072 0.000 1.002 776 E CB 0.461 30.153 29.700 -0.013 0.000 1.048 776 E HN 0.528 nan 8.360 nan 0.000 0.488 777 S N -0.338 115.191 115.700 -0.286 0.000 2.556 777 S HA 0.138 4.608 4.470 -0.001 0.000 0.216 777 S C 0.460 175.060 174.600 -0.000 0.000 0.970 777 S CA -0.474 57.642 58.200 -0.139 0.000 0.912 777 S CB -0.350 62.808 63.200 -0.071 0.000 0.790 777 S HN -0.084 nan 8.310 nan 0.000 0.504 778 F N 2.797 122.861 119.950 0.190 0.000 2.471 778 F HA 0.584 5.110 4.527 -0.001 0.000 0.365 778 F C 1.719 177.616 175.800 0.162 0.000 1.095 778 F CA -0.157 57.941 58.000 0.164 0.000 1.174 778 F CB 0.218 39.293 39.000 0.124 0.000 1.105 778 F HN 0.289 nan 8.300 nan 0.000 0.535 779 G N 2.777 111.778 108.800 0.334 0.000 2.195 779 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.246 779 G HA3 -0.382 3.578 3.960 -0.001 0.000 0.246 779 G C 1.122 176.133 174.900 0.185 0.000 0.984 779 G CA 0.208 45.437 45.100 0.215 0.000 0.633 779 G HN 0.592 nan 8.290 nan 0.000 0.525 780 F N 2.030 122.036 119.950 0.093 0.000 2.087 780 F HA -0.137 4.389 4.527 -0.001 0.000 0.299 780 F C 2.701 178.521 175.800 0.032 0.000 1.100 780 F CA 3.197 61.228 58.000 0.052 0.000 1.226 780 F CB -0.618 38.407 39.000 0.041 0.000 0.983 780 F HN 0.263 nan 8.300 nan 0.000 0.479 781 T N -0.617 113.997 114.554 0.100 0.000 2.699 781 T HA -0.163 4.187 4.350 -0.001 0.000 0.268 781 T C 2.161 176.796 174.700 -0.109 0.000 1.036 781 T CA 1.927 64.019 62.100 -0.014 0.000 1.147 781 T CB -1.149 67.774 68.868 0.092 0.000 0.862 781 T HN 0.442 nan 8.240 nan 0.000 0.446 782 G N 0.405 109.176 108.800 -0.047 0.000 2.414 782 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.215 782 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.215 782 G C 1.535 176.377 174.900 -0.096 0.000 1.188 782 G CA 0.790 45.864 45.100 -0.044 0.000 0.783 782 G HN 0.626 nan 8.290 nan 0.000 0.537 783 E N -0.253 119.868 120.200 -0.132 0.000 2.204 783 E HA -0.063 4.286 4.350 -0.001 0.000 0.194 783 E C 2.352 178.793 176.600 -0.264 0.000 0.989 783 E CA 0.387 56.695 56.400 -0.154 0.000 0.824 783 E CB -0.093 29.532 29.700 -0.125 0.000 0.756 783 E HN 0.337 nan 8.360 nan 0.000 0.477 784 L N 1.834 122.795 121.223 -0.437 0.000 2.027 784 L HA -0.179 4.161 4.340 -0.001 0.000 0.206 784 L C 2.376 179.050 176.870 -0.326 0.000 1.074 784 L CA 1.853 56.409 54.840 -0.473 0.000 0.745 784 L CB -0.287 41.391 42.059 -0.635 0.000 0.898 784 L HN -0.027 nan 8.230 nan 0.000 0.433 785 R N -1.206 119.129 120.500 -0.273 0.000 2.148 785 R HA -0.187 4.153 4.340 -0.001 0.000 0.227 785 R C 2.121 178.250 176.300 -0.286 0.000 1.103 785 R CA 1.364 57.303 56.100 -0.269 0.000 0.983 785 R CB -0.754 29.438 30.300 -0.179 0.000 0.874 785 R HN 0.363 nan 8.270 nan 0.000 0.451 786 Q N 1.270 120.982 119.800 -0.147 0.000 2.079 786 Q HA 0.027 4.367 4.340 -0.001 0.000 0.200 786 Q C 2.051 177.947 176.000 -0.174 0.000 0.974 786 Q CA 2.212 58.006 55.803 -0.014 0.000 0.840 786 Q CB -0.274 28.491 28.738 0.044 0.000 0.898 786 Q HN 0.501 nan 8.270 nan 0.000 0.430 787 A N -0.852 121.850 122.820 -0.197 0.000 2.169 787 A HA 0.009 4.328 4.320 -0.001 0.000 0.212 787 A C 1.631 179.064 177.584 -0.252 0.000 1.153 787 A CA 1.376 53.308 52.037 -0.175 0.000 0.756 787 A CB -0.280 18.641 19.000 -0.132 0.000 0.813 787 A HN 0.465 nan 8.150 nan 0.000 0.471 788 T N -5.008 109.326 114.554 -0.368 0.000 3.182 788 T HA 0.431 4.780 4.350 -0.001 0.000 0.277 788 T C 1.061 175.437 174.700 -0.540 0.000 1.013 788 T CA 0.787 62.673 62.100 -0.357 0.000 0.900 788 T CB -0.122 68.570 68.868 -0.293 0.000 1.098 788 T HN 1.522 nan 8.240 nan 0.000 0.543 789 G N 1.141 109.323 108.800 -1.030 0.000 2.305 789 G HA2 0.095 4.054 3.960 -0.001 0.000 0.287 789 G HA3 0.095 4.054 3.960 -0.001 0.000 0.287 789 G C 1.113 175.498 174.900 -0.858 0.000 1.036 789 G CA 0.224 44.290 45.100 -1.723 0.000 0.887 789 G HN 1.839 nan 8.290 nan 0.000 0.505 790 G N -1.525 106.904 108.800 -0.617 0.000 2.225 790 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.267 790 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.267 790 G C 0.800 175.502 174.900 -0.329 0.000 1.024 790 G CA 1.269 46.180 45.100 -0.315 0.000 0.784 790 G HN 0.974 nan 8.290 nan 0.000 0.507 791 Q N -0.846 118.751 119.800 -0.339 0.000 2.352 791 Q HA 0.517 4.856 4.340 -0.001 0.000 0.212 791 Q C 1.320 177.148 176.000 -0.287 0.000 0.888 791 Q CA 0.608 56.264 55.803 -0.245 0.000 0.934 791 Q CB 0.807 29.460 28.738 -0.141 0.000 1.093 791 Q HN 0.779 nan 8.270 nan 0.000 0.523 792 A N 0.660 123.247 122.820 -0.388 0.000 2.312 792 A HA 0.624 4.943 4.320 -0.001 0.000 0.326 792 A C -1.102 176.187 177.584 -0.491 0.000 1.172 792 A CA -0.381 51.480 52.037 -0.294 0.000 0.821 792 A CB 0.355 19.234 19.000 -0.201 0.000 1.166 792 A HN 0.165 nan 8.150 nan 0.000 0.493 793 F N 3.834 123.773 119.950 -0.019 0.000 2.382 793 F HA 0.405 4.932 4.527 -0.000 0.000 0.361 793 F C -2.003 173.812 175.800 0.025 0.000 1.109 793 F CA -2.024 55.978 58.000 0.005 0.000 1.031 793 F CB 2.125 41.125 39.000 0.000 0.000 1.234 793 F HN 0.363 nan 8.300 nan 0.000 0.445 794 P HA 0.200 nan 4.420 nan 0.000 0.282 794 P C -1.447 175.924 177.300 0.119 0.000 1.249 794 P CA -0.529 62.668 63.100 0.161 0.000 0.806 794 P CB 2.145 33.987 31.700 0.236 0.000 0.984 795 Q N 2.112 121.946 119.800 0.057 0.000 2.331 795 Q HA 0.630 4.970 4.340 -0.001 0.000 0.272 795 Q C -1.473 174.472 176.000 -0.093 0.000 1.062 795 Q CA -0.635 55.166 55.803 -0.004 0.000 0.806 795 Q CB 1.837 30.581 28.738 0.010 0.000 1.312 795 Q HN 0.428 nan 8.270 nan 0.000 0.431 796 M N 2.917 122.397 119.600 -0.200 0.000 2.378 796 M HA 0.568 5.048 4.480 -0.001 0.000 0.289 796 M C -1.533 174.523 176.300 -0.406 0.000 1.136 796 M CA -0.986 54.070 55.300 -0.406 0.000 0.917 796 M CB 2.486 34.593 32.600 -0.822 0.000 1.669 796 M HN 0.411 nan 8.290 nan 0.000 0.461 797 V N 3.130 122.906 119.914 -0.230 0.000 2.841 797 V HA 0.565 4.685 4.120 -0.001 0.000 0.310 797 V C -1.428 174.820 176.094 0.255 0.000 1.090 797 V CA -0.678 61.613 62.300 -0.015 0.000 0.930 797 V CB 2.245 34.071 31.823 0.004 0.000 1.014 797 V HN 0.731 nan 8.190 nan 0.000 0.425 798 F N 4.921 125.024 119.950 0.255 0.000 2.608 798 F HA 0.249 4.776 4.527 -0.001 0.000 0.380 798 F C 0.733 176.530 175.800 -0.005 0.000 1.083 798 F CA 1.118 59.200 58.000 0.136 0.000 1.266 798 F CB 1.044 40.013 39.000 -0.052 0.000 1.076 798 F HN 0.825 nan 8.300 nan 0.000 0.574 799 D N 1.940 121.735 120.400 -1.008 0.000 2.929 799 D HA 0.122 4.761 4.640 -0.001 0.000 0.291 799 D C -0.733 174.967 176.300 -1.000 0.000 1.086 799 D CA 0.850 54.389 54.000 -0.767 0.000 0.971 799 D CB 0.297 40.944 40.800 -0.255 0.000 1.275 799 D HN 0.755 nan 8.370 nan 0.000 0.469 800 H N -3.968 114.383 119.070 -1.199 0.000 2.932 800 H HA 0.442 4.997 4.556 -0.001 0.000 0.307 800 H C -1.835 173.167 175.328 -0.544 0.000 1.391 800 H CA -1.346 54.256 56.048 -0.743 0.000 1.130 800 H CB -0.045 29.478 29.762 -0.399 0.000 1.836 800 H HN -0.059 nan 8.280 nan 0.000 0.522 801 W N 0.656 122.040 121.300 0.139 0.000 2.417 801 W HA 0.630 5.290 4.660 -0.000 0.000 0.317 801 W C 0.054 176.697 176.519 0.206 0.000 1.121 801 W CA -0.647 56.797 57.345 0.165 0.000 1.208 801 W CB 2.078 31.644 29.460 0.177 0.000 1.253 801 W HN 0.592 nan 8.180 nan 0.000 0.533 802 S N 1.631 117.567 115.700 0.394 0.000 2.532 802 S HA 0.449 4.918 4.470 -0.001 0.000 0.299 802 S C -0.493 174.253 174.600 0.244 0.000 1.105 802 S CA -0.624 57.742 58.200 0.276 0.000 1.018 802 S CB 0.709 64.028 63.200 0.199 0.000 1.021 802 S HN 0.309 nan 8.310 nan 0.000 0.483 803 T N 5.746 120.410 114.554 0.183 0.000 2.779 803 T HA 0.292 4.642 4.350 -0.001 0.000 0.296 803 T C 0.090 174.862 174.700 0.120 0.000 0.938 803 T CA -0.081 62.107 62.100 0.148 0.000 1.119 803 T CB -0.107 68.822 68.868 0.101 0.000 0.891 803 T HN 0.517 nan 8.240 nan 0.000 0.526 804 L N 2.898 124.195 121.223 0.122 0.000 2.331 804 L HA 0.340 4.680 4.340 -0.001 0.000 0.278 804 L C 1.760 178.665 176.870 0.057 0.000 1.106 804 L CA -0.434 54.458 54.840 0.088 0.000 0.824 804 L CB 0.678 42.785 42.059 0.081 0.000 1.142 804 L HN 0.849 nan 8.230 nan 0.000 0.443 805 G N 1.485 110.311 108.800 0.044 0.000 2.464 805 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.217 805 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.217 805 G C 0.792 175.702 174.900 0.016 0.000 1.138 805 G CA 0.242 45.358 45.100 0.027 0.000 0.793 805 G HN 0.658 nan 8.290 nan 0.000 0.539 806 S N 0.419 116.127 115.700 0.014 0.000 2.576 806 S HA 0.142 4.612 4.470 -0.001 0.000 0.272 806 S C -0.202 174.396 174.600 -0.003 0.000 1.352 806 S CA -0.565 57.636 58.200 0.003 0.000 1.021 806 S CB 1.357 64.555 63.200 -0.002 0.000 0.887 806 S HN 0.147 nan 8.310 nan 0.000 0.542 807 D N 1.544 121.940 120.400 -0.007 0.000 2.358 807 D HA 0.223 4.863 4.640 -0.001 0.000 0.258 807 D C -1.621 174.667 176.300 -0.019 0.000 1.223 807 D CA -2.117 51.879 54.000 -0.006 0.000 0.886 807 D CB 1.083 41.882 40.800 -0.001 0.000 1.120 807 D HN 0.172 nan 8.370 nan 0.000 0.482 808 P HA -0.086 nan 4.420 nan 0.000 0.220 808 P C 1.195 178.467 177.300 -0.047 0.000 1.148 808 P CA 0.478 63.551 63.100 -0.045 0.000 0.803 808 P CB 0.325 32.028 31.700 0.005 0.000 0.782 809 L N -1.393 119.827 121.223 -0.006 0.000 2.554 809 L HA 0.069 4.408 4.340 -0.001 0.000 0.226 809 L C 0.751 177.614 176.870 -0.011 0.000 1.137 809 L CA 0.935 55.777 54.840 0.003 0.000 0.863 809 L CB -0.957 41.125 42.059 0.039 0.000 0.985 809 L HN -0.079 nan 8.230 nan 0.000 0.451 810 D N -0.164 120.225 120.400 -0.019 0.000 2.428 810 D HA 0.155 4.795 4.640 -0.001 0.000 0.221 810 D C -1.752 174.527 176.300 -0.035 0.000 1.123 810 D CA -2.349 51.640 54.000 -0.020 0.000 0.869 810 D CB 1.562 42.354 40.800 -0.013 0.000 1.032 810 D HN -0.067 nan 8.370 nan 0.000 0.506 811 P HA -0.134 nan 4.420 nan 0.000 0.220 811 P C 1.040 178.317 177.300 -0.038 0.000 1.144 811 P CA 1.350 64.424 63.100 -0.044 0.000 0.800 811 P CB 0.151 31.831 31.700 -0.033 0.000 0.772 812 T N -5.489 109.049 114.554 -0.027 0.000 3.044 812 T HA 0.114 4.464 4.350 -0.001 0.000 0.250 812 T C 0.936 175.624 174.700 -0.019 0.000 1.081 812 T CA -0.070 62.018 62.100 -0.020 0.000 1.040 812 T CB -0.593 68.268 68.868 -0.012 0.000 0.962 812 T HN 0.136 nan 8.240 nan 0.000 0.506 813 S N 0.837 116.522 115.700 -0.025 0.000 2.655 813 S HA 0.375 4.844 4.470 -0.001 0.000 0.265 813 S C 1.152 175.733 174.600 -0.030 0.000 1.240 813 S CA -0.903 57.284 58.200 -0.022 0.000 0.986 813 S CB 1.294 64.481 63.200 -0.021 0.000 0.985 813 S HN 0.273 nan 8.310 nan 0.000 0.562 814 K N 0.666 121.054 120.400 -0.020 0.000 2.009 814 K HA -0.124 4.195 4.320 -0.001 0.000 0.210 814 K C 2.453 179.019 176.600 -0.057 0.000 1.049 814 K CA 1.519 57.794 56.287 -0.021 0.000 0.929 814 K CB -0.813 31.688 32.500 0.002 0.000 0.714 814 K HN 0.738 nan 8.250 nan 0.000 0.440 815 A N 1.119 123.900 122.820 -0.064 0.000 1.930 815 A HA -0.060 4.259 4.320 -0.001 0.000 0.217 815 A C 2.415 179.892 177.584 -0.180 0.000 1.175 815 A CA 1.789 53.752 52.037 -0.122 0.000 0.627 815 A CB -1.027 17.927 19.000 -0.077 0.000 0.815 815 A HN 0.445 nan 8.150 nan 0.000 0.443 816 G N -0.387 108.339 108.800 -0.123 0.000 2.432 816 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.219 816 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.219 816 G C 1.388 176.201 174.900 -0.145 0.000 1.135 816 G CA 0.950 45.971 45.100 -0.131 0.000 0.767 816 G HN 0.664 nan 8.290 nan 0.000 0.550 817 E N 0.031 120.162 120.200 -0.114 0.000 2.077 817 E HA -0.060 4.290 4.350 -0.001 0.000 0.193 817 E C 2.472 178.992 176.600 -0.133 0.000 0.989 817 E CA 0.606 56.950 56.400 -0.093 0.000 0.800 817 E CB -0.127 29.541 29.700 -0.054 0.000 0.746 817 E HN 0.487 nan 8.360 nan 0.000 0.452 818 I N 0.654 121.106 120.570 -0.196 0.000 2.179 818 I HA -0.251 3.919 4.170 -0.001 0.000 0.242 818 I C 2.388 178.260 176.117 -0.407 0.000 1.088 818 I CA 0.795 61.928 61.300 -0.279 0.000 1.357 818 I CB -0.267 37.462 38.000 -0.451 0.000 1.051 818 I HN -0.016 nan 8.210 nan 0.000 0.409 819 V N 0.860 120.439 119.914 -0.559 0.000 2.332 819 V HA -0.284 3.836 4.120 -0.001 0.000 0.248 819 V C 2.421 178.303 176.094 -0.354 0.000 1.055 819 V CA 1.820 63.666 62.300 -0.755 0.000 1.038 819 V CB -0.577 30.867 31.823 -0.630 0.000 0.651 819 V HN 0.374 nan 8.190 nan 0.000 0.450 820 L N 0.862 121.960 121.223 -0.209 0.000 2.046 820 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 820 L C 2.435 179.266 176.870 -0.065 0.000 1.077 820 L CA 2.389 57.168 54.840 -0.103 0.000 0.747 820 L CB -0.959 41.055 42.059 -0.075 0.000 0.896 820 L HN 0.213 nan 8.230 nan 0.000 0.432 821 A N -0.476 122.301 122.820 -0.072 0.000 1.902 821 A HA -0.092 4.227 4.320 -0.001 0.000 0.217 821 A C 2.442 180.016 177.584 -0.016 0.000 1.181 821 A CA 1.830 53.846 52.037 -0.034 0.000 0.623 821 A CB -1.160 17.826 19.000 -0.023 0.000 0.818 821 A HN 0.585 nan 8.150 nan 0.000 0.443 822 A N -0.351 122.474 122.820 0.008 0.000 1.898 822 A HA -0.118 4.202 4.320 -0.001 0.000 0.216 822 A C 2.245 179.921 177.584 0.154 0.000 1.181 822 A CA 1.362 53.471 52.037 0.120 0.000 0.620 822 A CB -0.437 18.817 19.000 0.423 0.000 0.819 822 A HN 0.538 nan 8.150 nan 0.000 0.442 823 R N -0.087 120.500 120.500 0.145 0.000 2.073 823 R HA -0.117 4.222 4.340 -0.001 0.000 0.234 823 R C 2.199 178.558 176.300 0.098 0.000 1.134 823 R CA 1.694 57.889 56.100 0.158 0.000 0.952 823 R CB -0.316 30.035 30.300 0.087 0.000 0.850 823 R HN 0.487 nan 8.270 nan 0.000 0.433 824 K N 0.246 120.668 120.400 0.038 0.000 2.057 824 K HA -0.165 4.154 4.320 -0.001 0.000 0.207 824 K C 2.176 178.778 176.600 0.003 0.000 1.049 824 K CA 1.058 57.357 56.287 0.020 0.000 0.931 824 K CB -0.181 32.320 32.500 0.002 0.000 0.714 824 K HN 0.096 nan 8.250 nan 0.000 0.440 825 R N 0.458 120.927 120.500 -0.052 0.000 2.159 825 R HA -0.137 4.203 4.340 -0.001 0.000 0.237 825 R C 1.277 177.486 176.300 -0.151 0.000 1.131 825 R CA 1.265 57.282 56.100 -0.137 0.000 0.982 825 R CB 0.031 30.185 30.300 -0.243 0.000 0.868 825 R HN 0.312 nan 8.270 nan 0.000 0.453 826 H N -1.325 117.781 119.070 0.061 0.000 2.517 826 H HA 0.188 4.744 4.556 -0.001 0.000 0.282 826 H C 0.765 176.118 175.328 0.042 0.000 1.023 826 H CA 0.620 56.700 56.048 0.054 0.000 1.169 826 H CB 0.822 30.624 29.762 0.067 0.000 1.454 826 H HN 0.472 nan 8.280 nan 0.000 0.556 827 G N 1.602 110.476 108.800 0.123 0.000 2.249 827 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.273 827 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.273 827 G C 0.237 175.185 174.900 0.081 0.000 1.036 827 G CA 0.442 45.591 45.100 0.082 0.000 0.824 827 G HN 0.276 nan 8.290 nan 0.000 0.504 828 M N -1.033 118.625 119.600 0.097 0.000 2.471 828 M HA 0.529 5.009 4.480 -0.001 0.000 0.309 828 M C 0.627 176.958 176.300 0.052 0.000 1.186 828 M CA -1.055 54.291 55.300 0.078 0.000 1.008 828 M CB 1.067 33.729 32.600 0.103 0.000 1.551 828 M HN 0.020 nan 8.290 nan 0.000 0.477 829 K N 1.413 121.834 120.400 0.036 0.000 2.412 829 K HA 0.002 4.322 4.320 -0.001 0.000 0.281 829 K C 0.487 177.100 176.600 0.023 0.000 1.027 829 K CA 0.637 56.937 56.287 0.021 0.000 0.989 829 K CB 0.435 32.940 32.500 0.009 0.000 0.935 829 K HN 0.628 nan 8.250 nan 0.000 0.475 830 E N 2.597 122.805 120.200 0.014 0.000 2.070 830 E HA -0.200 4.150 4.350 -0.001 0.000 0.197 830 E C -0.319 176.282 176.600 0.001 0.000 1.004 830 E CA 1.414 57.818 56.400 0.007 0.000 0.805 830 E CB -0.026 29.673 29.700 -0.001 0.000 0.744 830 E HN 0.666 nan 8.360 nan 0.000 0.451 831 E N 1.153 121.352 120.200 -0.001 0.000 2.384 831 E HA 0.092 4.442 4.350 -0.001 0.000 0.266 831 E C -0.821 175.784 176.600 0.008 0.000 1.012 831 E CA -0.333 56.065 56.400 -0.003 0.000 0.901 831 E CB 1.421 31.115 29.700 -0.010 0.000 0.967 831 E HN -0.108 nan 8.360 nan 0.000 0.435 832 V N 5.573 125.496 119.914 0.015 0.000 2.432 832 V HA 0.122 4.242 4.120 -0.001 0.000 0.271 832 V C -1.995 174.129 176.094 0.049 0.000 1.046 832 V CA -1.678 60.645 62.300 0.040 0.000 0.945 832 V CB 0.573 32.426 31.823 0.050 0.000 0.992 832 V HN 0.606 nan 8.190 nan 0.000 0.471 833 P HA 0.140 nan 4.420 nan 0.000 0.263 833 P C 0.492 177.877 177.300 0.141 0.000 1.195 833 P CA 0.413 63.539 63.100 0.044 0.000 0.762 833 P CB 0.440 32.142 31.700 0.003 0.000 0.799 834 G N 3.110 111.943 108.800 0.055 0.000 2.634 834 G HA2 0.032 3.992 3.960 -0.001 0.000 0.255 834 G HA3 0.032 3.992 3.960 -0.001 0.000 0.255 834 G C 0.978 175.988 174.900 0.184 0.000 1.205 834 G CA -0.652 44.495 45.100 0.077 0.000 0.884 834 G HN 0.713 nan 8.290 nan 0.000 0.549 835 W N -0.134 121.289 121.300 0.205 0.000 2.342 835 W HA -0.175 4.485 4.660 -0.001 0.000 0.297 835 W C 1.541 178.220 176.519 0.266 0.000 1.213 835 W CA 1.123 58.632 57.345 0.273 0.000 1.251 835 W CB -0.688 28.864 29.460 0.152 0.000 1.136 835 W HN 0.516 nan 8.180 nan 0.000 0.526 836 Q N 1.151 120.542 119.800 -0.682 0.000 2.197 836 Q HA -0.197 4.142 4.340 -0.001 0.000 0.207 836 Q C 2.048 177.960 176.000 -0.146 0.000 0.984 836 Q CA 2.372 57.803 55.803 -0.621 0.000 0.869 836 Q CB -0.565 27.665 28.738 -0.847 0.000 0.906 836 Q HN 0.339 nan 8.270 nan 0.000 0.426 837 E N -0.609 119.496 120.200 -0.158 0.000 2.204 837 E HA -0.169 4.181 4.350 -0.001 0.000 0.195 837 E C 0.864 177.269 176.600 -0.325 0.000 0.990 837 E CA 1.100 57.326 56.400 -0.289 0.000 0.821 837 E CB -0.028 29.381 29.700 -0.485 0.000 0.750 837 E HN 0.606 nan 8.360 nan 0.000 0.477 838 Y N -1.829 118.547 120.300 0.127 0.000 2.467 838 Y HA 0.132 4.681 4.550 -0.001 0.000 0.250 838 Y C 0.388 176.402 175.900 0.189 0.000 1.155 838 Y CA -0.564 57.630 58.100 0.156 0.000 1.249 838 Y CB 0.134 38.721 38.460 0.211 0.000 1.146 838 Y HN -0.068 nan 8.280 nan 0.000 0.524 839 Y N 2.199 122.632 120.300 0.223 0.000 2.313 839 Y HA 0.301 4.851 4.550 -0.001 0.000 0.332 839 Y C -0.469 175.482 175.900 0.085 0.000 1.071 839 Y CA -0.894 57.326 58.100 0.199 0.000 1.169 839 Y CB 0.612 39.266 38.460 0.325 0.000 1.192 839 Y HN 0.032 nan 8.280 nan 0.000 0.487 840 D N 6.981 127.147 120.400 -0.390 0.000 2.462 840 D HA 0.121 4.760 4.640 -0.001 0.000 0.249 840 D C -0.487 175.602 176.300 -0.352 0.000 1.117 840 D CA -0.452 53.397 54.000 -0.251 0.000 0.900 840 D CB 1.067 41.751 40.800 -0.194 0.000 1.039 840 D HN 0.538 nan 8.370 nan 0.000 0.516 841 K N 1.962 122.306 120.400 -0.092 0.000 2.440 841 K HA 0.095 4.414 4.320 -0.001 0.000 0.270 841 K C 0.476 177.071 176.600 -0.008 0.000 0.980 841 K CA -0.230 56.093 56.287 0.059 0.000 0.953 841 K CB 0.828 33.455 32.500 0.211 0.000 0.925 841 K HN 0.323 nan 8.250 nan 0.000 0.497 842 L N 0.000 121.244 121.223 0.035 0.000 2.949 842 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 842 L CA 0.000 54.858 54.840 0.031 0.000 0.813 842 L CB 0.000 42.104 42.059 0.075 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502