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 2p8w_1_T 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 KIXXXXXLVE 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 0.000 177.373 177.584 -0.352 0.000 1.274 3 A CA 0.000 51.821 52.037 -0.360 0.000 0.836 3 A CB 0.000 18.892 19.000 -0.180 0.000 0.831 4 F N 0.884 120.787 119.950 -0.078 0.000 2.575 4 F HA 0.807 5.333 4.527 -0.000 0.000 0.330 4 F C 1.192 176.958 175.800 -0.057 0.000 1.056 4 F CA -0.184 57.764 58.000 -0.087 0.000 0.964 4 F CB 2.045 40.984 39.000 -0.103 0.000 1.258 4 F HN 0.631 nan 8.300 nan 0.000 0.484 5 T N -2.040 112.619 114.554 0.176 0.000 2.902 5 T HA 0.384 4.734 4.350 -0.000 0.000 0.280 5 T C 0.960 175.686 174.700 0.044 0.000 0.992 5 T CA -0.671 61.471 62.100 0.069 0.000 1.015 5 T CB 1.185 70.071 68.868 0.031 0.000 1.044 5 T HN 0.285 nan 8.240 nan 0.000 0.520 6 V N 1.272 121.200 119.914 0.022 0.000 2.469 6 V HA -0.162 3.957 4.120 -0.000 0.000 0.251 6 V C 2.473 178.560 176.094 -0.011 0.000 1.064 6 V CA 2.068 64.375 62.300 0.012 0.000 1.066 6 V CB -0.771 31.056 31.823 0.006 0.000 0.667 6 V HN 0.897 nan 8.190 nan 0.000 0.461 7 D N -0.562 119.825 120.400 -0.021 0.000 2.117 7 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 7 D C 2.302 178.555 176.300 -0.078 0.000 0.982 7 D CA 1.241 55.216 54.000 -0.041 0.000 0.828 7 D CB -0.042 40.736 40.800 -0.037 0.000 0.967 7 D HN 0.547 nan 8.370 nan 0.000 0.464 8 Q N -0.266 119.470 119.800 -0.106 0.000 2.084 8 Q HA -0.106 4.233 4.340 -0.000 0.000 0.202 8 Q C 2.286 178.128 176.000 -0.263 0.000 0.978 8 Q CA 0.870 56.528 55.803 -0.242 0.000 0.844 8 Q CB 0.024 28.550 28.738 -0.354 0.000 0.898 8 Q HN 0.227 nan 8.270 nan 0.000 0.426 9 M N 0.115 119.633 119.600 -0.137 0.000 2.067 9 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 9 M C 2.190 178.456 176.300 -0.056 0.000 1.069 9 M CA 1.497 56.758 55.300 -0.065 0.000 1.117 9 M CB -0.852 31.764 32.600 0.027 0.000 1.334 9 M HN 0.042 nan 8.290 nan 0.000 0.407 10 R N 0.252 120.725 120.500 -0.045 0.000 2.127 10 R HA -0.097 4.242 4.340 -0.000 0.000 0.238 10 R C 2.393 178.660 176.300 -0.054 0.000 1.134 10 R CA 2.061 58.139 56.100 -0.038 0.000 0.975 10 R CB -0.810 29.472 30.300 -0.030 0.000 0.865 10 R HN 0.362 nan 8.270 nan 0.000 0.447 11 S N -0.844 114.808 115.700 -0.081 0.000 2.387 11 S HA -0.035 4.435 4.470 -0.000 0.000 0.226 11 S C 1.653 176.198 174.600 -0.091 0.000 1.026 11 S CA 0.752 58.900 58.200 -0.088 0.000 0.972 11 S CB -0.238 62.895 63.200 -0.111 0.000 0.814 11 S HN 0.297 nan 8.310 nan 0.000 0.477 12 L N 1.552 122.710 121.223 -0.109 0.000 2.093 12 L HA 0.180 4.520 4.340 -0.000 0.000 0.208 12 L C 2.284 179.128 176.870 -0.043 0.000 1.085 12 L CA 1.746 56.537 54.840 -0.082 0.000 0.755 12 L CB -0.766 41.245 42.059 -0.079 0.000 0.904 12 L HN 0.412 nan 8.230 nan 0.000 0.435 13 M N -1.422 118.158 119.600 -0.032 0.000 2.557 13 M HA -0.123 4.357 4.480 -0.000 0.000 0.259 13 M C 1.329 177.612 176.300 -0.027 0.000 1.086 13 M CA 0.705 55.995 55.300 -0.018 0.000 1.096 13 M CB -0.265 32.329 32.600 -0.010 0.000 1.424 13 M HN 0.125 nan 8.290 nan 0.000 0.488 14 D N 1.112 121.489 120.400 -0.038 0.000 2.162 14 D HA -0.023 4.617 4.640 -0.000 0.000 0.203 14 D C 0.527 176.804 176.300 -0.038 0.000 0.967 14 D CA 1.022 54.999 54.000 -0.038 0.000 0.840 14 D CB 0.117 40.892 40.800 -0.043 0.000 0.972 14 D HN 0.316 nan 8.370 nan 0.000 0.482 15 K N 1.512 121.884 120.400 -0.046 0.000 2.502 15 K HA 0.096 4.416 4.320 -0.000 0.000 0.244 15 K C 1.392 177.973 176.600 -0.032 0.000 1.249 15 K CA -0.185 56.072 56.287 -0.050 0.000 1.193 15 K CB 0.813 33.264 32.500 -0.082 0.000 1.674 15 K HN -0.049 nan 8.250 nan 0.000 0.302 16 V N -1.782 118.121 119.914 -0.019 0.000 2.982 16 V HA -0.244 3.876 4.120 -0.000 0.000 0.265 16 V C 1.903 178.006 176.094 0.014 0.000 1.122 16 V CA 1.986 64.284 62.300 -0.004 0.000 1.143 16 V CB -1.389 30.426 31.823 -0.013 0.000 0.726 16 V HN 0.560 nan 8.190 nan 0.000 0.507 17 T N -1.677 112.883 114.554 0.011 0.000 2.995 17 T HA -0.033 4.317 4.350 -0.000 0.000 0.269 17 T C 1.152 175.904 174.700 0.085 0.000 1.091 17 T CA 1.439 63.560 62.100 0.036 0.000 1.128 17 T CB -0.596 68.284 68.868 0.021 0.000 0.891 17 T HN 0.541 nan 8.240 nan 0.000 0.492 18 N N 0.705 119.438 118.700 0.054 0.000 2.380 18 N HA 0.410 5.150 4.740 -0.000 0.000 0.255 18 N C -1.122 174.487 175.510 0.166 0.000 1.158 18 N CA -0.154 52.963 53.050 0.112 0.000 0.878 18 N CB 0.941 39.267 38.487 -0.269 0.000 1.138 18 N HN 0.242 nan 8.380 nan 0.000 0.509 19 V N 0.577 120.567 119.914 0.126 0.000 2.815 19 V HA 0.554 4.674 4.120 -0.000 0.000 0.314 19 V C -0.252 175.899 176.094 0.095 0.000 1.064 19 V CA -0.807 61.553 62.300 0.100 0.000 0.952 19 V CB 2.165 34.020 31.823 0.052 0.000 1.020 19 V HN 0.108 nan 8.190 nan 0.000 0.439 20 R N 2.779 123.327 120.500 0.079 0.000 2.500 20 R HA 0.396 4.736 4.340 -0.000 0.000 0.299 20 R C -1.148 175.180 176.300 0.045 0.000 1.038 20 R CA -0.389 55.742 56.100 0.051 0.000 0.903 20 R CB 1.502 31.819 30.300 0.029 0.000 1.177 20 R HN 0.763 nan 8.270 nan 0.000 0.455 21 N N 3.755 122.479 118.700 0.041 0.000 2.437 21 N HA 0.501 5.241 4.740 -0.000 0.000 0.259 21 N C -0.146 175.387 175.510 0.039 0.000 0.983 21 N CA -0.485 52.591 53.050 0.044 0.000 0.937 21 N CB 1.070 39.582 38.487 0.041 0.000 1.122 21 N HN 0.379 nan 8.380 nan 0.000 0.499 22 M N -0.428 119.193 119.600 0.035 0.000 2.924 22 M HA 0.655 5.135 4.480 -0.000 0.000 0.271 22 M C -0.997 175.312 176.300 0.016 0.000 1.280 22 M CA -0.919 54.395 55.300 0.022 0.000 0.813 22 M CB 1.297 33.902 32.600 0.008 0.000 1.658 22 M HN 0.290 nan 8.290 nan 0.000 0.467 23 S N -0.784 114.917 115.700 0.002 0.000 2.705 23 S HA 0.952 5.422 4.470 -0.000 0.000 0.280 23 S C -1.457 173.127 174.600 -0.026 0.000 1.174 23 S CA -0.792 57.402 58.200 -0.010 0.000 0.823 23 S CB 1.576 64.770 63.200 -0.010 0.000 1.162 23 S HN 1.020 nan 8.310 nan 0.000 0.487 24 V N 1.463 121.356 119.914 -0.035 0.000 2.417 24 V HA 0.510 4.630 4.120 -0.000 0.000 0.291 24 V C -0.635 175.428 176.094 -0.052 0.000 1.024 24 V CA -0.594 61.681 62.300 -0.043 0.000 0.861 24 V CB 1.064 32.862 31.823 -0.041 0.000 0.985 24 V HN 0.798 nan 8.190 nan 0.000 0.436 25 I N 4.329 124.866 120.570 -0.054 0.000 2.339 25 I HA 0.801 4.971 4.170 -0.000 0.000 0.290 25 I C 0.197 176.282 176.117 -0.053 0.000 0.994 25 I CA -0.212 61.049 61.300 -0.065 0.000 1.191 25 I CB 1.563 39.524 38.000 -0.065 0.000 1.343 25 I HN 0.762 nan 8.210 nan 0.000 0.458 26 A N 5.366 128.147 122.820 -0.065 0.000 2.577 26 A HA 0.401 4.721 4.320 -0.000 0.000 0.297 26 A C -1.190 176.334 177.584 -0.099 0.000 1.060 26 A CA -0.610 51.402 52.037 -0.043 0.000 0.697 26 A CB 1.331 20.331 19.000 0.001 0.000 1.281 26 A HN 0.730 nan 8.150 nan 0.000 0.402 27 H N 1.717 120.600 119.070 -0.312 0.000 2.707 27 H HA 0.407 4.963 4.556 -0.000 0.000 0.359 27 H C 0.519 175.631 175.328 -0.360 0.000 1.113 27 H CA 0.842 56.629 56.048 -0.435 0.000 1.422 27 H CB 1.192 30.486 29.762 -0.780 0.000 1.443 27 H HN 0.766 nan 8.280 nan 0.000 0.591 28 V N 2.607 122.450 119.914 -0.119 0.000 2.843 28 V HA -0.061 4.059 4.120 -0.000 0.000 0.305 28 V C 0.821 177.020 176.094 0.174 0.000 1.120 28 V CA 0.449 62.764 62.300 0.025 0.000 1.254 28 V CB 0.126 31.939 31.823 -0.017 0.000 0.901 28 V HN 1.035 nan 8.190 nan 0.000 0.503 29 D N 0.083 120.559 120.400 0.126 0.000 2.946 29 D HA -0.233 4.407 4.640 -0.000 0.000 0.202 29 D C 0.887 177.326 176.300 0.232 0.000 1.068 29 D CA 1.950 56.044 54.000 0.156 0.000 1.011 29 D CB -1.079 39.816 40.800 0.159 0.000 1.105 29 D HN 0.998 nan 8.370 nan 0.000 0.425 30 H N 0.024 119.119 119.070 0.043 0.000 2.556 30 H HA 0.243 4.799 4.556 -0.000 0.000 0.268 30 H C 1.824 177.146 175.328 -0.010 0.000 0.996 30 H CA 0.588 56.643 56.048 0.011 0.000 1.157 30 H CB 0.426 30.199 29.762 0.018 0.000 1.355 30 H HN 0.403 nan 8.280 nan 0.000 0.597 31 G N 1.704 110.565 108.800 0.101 0.000 2.131 31 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.201 31 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.201 31 G C 1.018 175.927 174.900 0.015 0.000 1.000 31 G CA 0.433 45.553 45.100 0.034 0.000 0.680 31 G HN 0.433 nan 8.290 nan 0.000 0.514 32 K N 0.555 120.967 120.400 0.021 0.000 2.063 32 K HA -0.063 4.257 4.320 -0.000 0.000 0.208 32 K C 2.556 179.147 176.600 -0.015 0.000 1.048 32 K CA 2.183 58.467 56.287 -0.005 0.000 0.928 32 K CB -0.299 32.192 32.500 -0.014 0.000 0.713 32 K HN 0.337 nan 8.250 nan 0.000 0.442 33 S N 0.072 115.766 115.700 -0.010 0.000 2.345 33 S HA -0.143 4.327 4.470 -0.000 0.000 0.220 33 S C 2.046 176.640 174.600 -0.012 0.000 1.031 33 S CA 1.837 60.029 58.200 -0.013 0.000 0.996 33 S CB -0.547 62.648 63.200 -0.010 0.000 0.882 33 S HN 0.723 nan 8.310 nan 0.000 0.445 34 T N 0.951 115.500 114.554 -0.008 0.000 2.915 34 T HA 0.083 4.432 4.350 -0.000 0.000 0.269 34 T C 1.700 176.389 174.700 -0.019 0.000 1.071 34 T CA 0.734 62.829 62.100 -0.009 0.000 1.132 34 T CB -0.510 68.354 68.868 -0.005 0.000 0.878 34 T HN 0.242 nan 8.240 nan 0.000 0.479 35 L N 1.544 122.750 121.223 -0.027 0.000 2.072 35 L HA -0.011 4.329 4.340 -0.000 0.000 0.205 35 L C 3.348 180.198 176.870 -0.033 0.000 1.079 35 L CA 1.750 56.566 54.840 -0.040 0.000 0.752 35 L CB -0.919 41.110 42.059 -0.051 0.000 0.906 35 L HN 0.537 nan 8.230 nan 0.000 0.436 36 T N -4.123 110.416 114.554 -0.025 0.000 2.904 36 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 36 T C 1.478 176.171 174.700 -0.013 0.000 1.059 36 T CA 1.116 63.204 62.100 -0.020 0.000 1.137 36 T CB -0.245 68.612 68.868 -0.020 0.000 0.879 36 T HN 0.168 nan 8.240 nan 0.000 0.467 37 D N 1.297 121.691 120.400 -0.011 0.000 2.117 37 D HA -0.075 4.565 4.640 -0.000 0.000 0.197 37 D C 2.384 178.682 176.300 -0.002 0.000 0.987 37 D CA 1.453 55.450 54.000 -0.004 0.000 0.829 37 D CB -0.625 40.175 40.800 -0.001 0.000 0.961 37 D HN 0.507 nan 8.370 nan 0.000 0.460 38 S N -0.086 115.609 115.700 -0.008 0.000 2.359 38 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 38 S C 2.146 176.743 174.600 -0.006 0.000 1.035 38 S CA 0.721 58.916 58.200 -0.008 0.000 1.018 38 S CB -0.323 62.862 63.200 -0.025 0.000 0.876 38 S HN 0.193 nan 8.310 nan 0.000 0.448 39 L N 0.913 122.130 121.223 -0.011 0.000 2.017 39 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 39 L C 2.591 179.467 176.870 0.009 0.000 1.073 39 L CA 1.230 56.067 54.840 -0.004 0.000 0.745 39 L CB -0.608 41.445 42.059 -0.009 0.000 0.894 39 L HN 0.254 nan 8.230 nan 0.000 0.432 40 V N -0.477 119.442 119.914 0.007 0.000 2.343 40 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 40 V C 2.422 178.523 176.094 0.012 0.000 1.051 40 V CA 1.721 64.029 62.300 0.012 0.000 1.036 40 V CB -0.541 31.287 31.823 0.009 0.000 0.654 40 V HN 0.513 nan 8.190 nan 0.000 0.451 41 Q N -0.554 119.252 119.800 0.010 0.000 2.167 41 Q HA -0.227 4.112 4.340 -0.000 0.000 0.202 41 Q C 2.419 178.428 176.000 0.014 0.000 0.970 41 Q CA 1.563 57.372 55.803 0.011 0.000 0.855 41 Q CB -0.134 28.612 28.738 0.013 0.000 0.911 41 Q HN 0.479 nan 8.270 nan 0.000 0.438 42 R N 0.043 120.554 120.500 0.019 0.000 2.112 42 R HA 0.056 4.395 4.340 -0.000 0.000 0.216 42 R C 1.014 177.336 176.300 0.037 0.000 1.080 42 R CA 1.472 57.588 56.100 0.026 0.000 0.996 42 R CB 0.132 30.447 30.300 0.025 0.000 0.902 42 R HN 0.108 nan 8.270 nan 0.000 0.449 43 A N -0.768 122.076 122.820 0.040 0.000 2.671 43 A HA 0.430 4.749 4.320 -0.000 0.000 0.265 43 A C 0.618 178.243 177.584 0.069 0.000 1.148 43 A CA -0.017 52.062 52.037 0.071 0.000 0.977 43 A CB 0.031 19.081 19.000 0.083 0.000 1.242 43 A HN 0.348 nan 8.150 nan 0.000 0.591 44 G N 0.356 109.178 108.800 0.035 0.000 2.474 44 G HA2 0.374 4.333 3.960 -0.000 0.000 0.233 44 G HA3 0.374 4.333 3.960 -0.000 0.000 0.233 44 G C -0.127 174.774 174.900 0.001 0.000 1.278 44 G CA 0.316 45.433 45.100 0.028 0.000 0.861 44 G HN 0.351 nan 8.290 nan 0.000 0.567 45 I N 1.066 121.648 120.570 0.019 0.000 2.493 45 I HA 0.482 4.652 4.170 -0.000 0.000 0.298 45 I C -0.046 176.063 176.117 -0.012 0.000 0.998 45 I CA -0.543 60.741 61.300 -0.027 0.000 1.137 45 I CB 1.867 39.923 38.000 0.094 0.000 1.310 45 I HN 0.224 nan 8.210 nan 0.000 0.445 46 I N 3.077 123.610 120.570 -0.063 0.000 2.769 46 I HA 0.239 4.409 4.170 -0.000 0.000 0.298 46 I C -0.081 176.021 176.117 -0.025 0.000 1.128 46 I CA -0.615 60.670 61.300 -0.025 0.000 1.031 46 I CB 2.375 40.352 38.000 -0.038 0.000 1.235 46 I HN 0.446 nan 8.210 nan 0.000 0.423 47 S N 3.018 118.716 115.700 -0.002 0.000 2.558 47 S HA 0.316 4.786 4.470 -0.000 0.000 0.288 47 S C 0.471 175.058 174.600 -0.021 0.000 1.318 47 S CA -0.455 57.745 58.200 -0.001 0.000 1.056 47 S CB 0.881 64.066 63.200 -0.026 0.000 0.853 47 S HN 0.654 nan 8.310 nan 0.000 0.505 68 I N 3.190 123.889 120.570 0.215 0.000 2.315 68 I HA 0.413 4.583 4.170 -0.000 0.000 0.291 68 I C 0.594 176.908 176.117 0.329 0.000 1.006 68 I CA -0.298 61.125 61.300 0.205 0.000 1.265 68 I CB 1.691 39.788 38.000 0.162 0.000 1.387 68 I HN 0.195 nan 8.210 nan 0.000 0.475 69 T N 5.139 119.699 114.554 0.011 0.000 2.932 69 T HA 0.823 5.172 4.350 -0.000 0.000 0.289 69 T C -0.308 174.165 174.700 -0.378 0.000 1.039 69 T CA -0.740 61.117 62.100 -0.405 0.000 1.024 69 T CB 2.269 70.969 68.868 -0.281 0.000 1.090 69 T HN 0.510 nan 8.240 nan 0.000 0.496 70 I N -2.174 118.089 120.570 -0.512 0.000 3.264 70 I HA 0.673 4.843 4.170 -0.000 0.000 0.315 70 I C -0.683 175.252 176.117 -0.303 0.000 1.154 70 I CA -1.707 59.387 61.300 -0.344 0.000 0.962 70 I CB 2.221 40.047 38.000 -0.291 0.000 1.265 70 I HN 0.709 nan 8.210 nan 0.000 0.463 71 K N 2.012 122.270 120.400 -0.237 0.000 2.297 71 K HA 0.220 4.539 4.320 -0.000 0.000 0.286 71 K C 0.011 176.500 176.600 -0.184 0.000 1.053 71 K CA -0.160 56.012 56.287 -0.191 0.000 0.940 71 K CB 1.060 33.465 32.500 -0.158 0.000 1.019 71 K HN 0.712 nan 8.250 nan 0.000 0.475 72 S N 3.078 118.681 115.700 -0.161 0.000 2.596 72 S HA -0.016 4.453 4.470 -0.000 0.000 0.298 72 S C 0.336 174.858 174.600 -0.129 0.000 1.255 72 S CA 0.047 58.166 58.200 -0.134 0.000 1.083 72 S CB 0.190 63.331 63.200 -0.098 0.000 0.837 72 S HN 0.755 nan 8.310 nan 0.000 0.499 73 T N 3.895 118.364 114.554 -0.143 0.000 2.964 73 T HA 0.538 4.888 4.350 -0.000 0.000 0.249 73 T C 0.150 174.765 174.700 -0.142 0.000 1.000 73 T CA 0.407 62.397 62.100 -0.183 0.000 0.992 73 T CB 0.523 69.210 68.868 -0.301 0.000 1.087 73 T HN 0.821 nan 8.240 nan 0.000 0.489 74 A N 0.950 123.720 122.820 -0.084 0.000 2.589 74 A HA 0.769 5.089 4.320 -0.000 0.000 0.296 74 A C -1.896 175.690 177.584 0.003 0.000 1.062 74 A CA -0.779 51.242 52.037 -0.027 0.000 0.686 74 A CB 1.048 20.052 19.000 0.006 0.000 1.282 74 A HN 0.269 nan 8.150 nan 0.000 0.404 75 I N 0.802 121.384 120.570 0.020 0.000 2.608 75 I HA 0.481 4.651 4.170 -0.000 0.000 0.295 75 I C 0.003 176.155 176.117 0.057 0.000 1.049 75 I CA -0.663 60.658 61.300 0.035 0.000 1.063 75 I CB 2.503 40.517 38.000 0.022 0.000 1.248 75 I HN 0.511 nan 8.210 nan 0.000 0.424 76 S N 5.238 120.984 115.700 0.077 0.000 2.489 76 S HA 0.696 5.166 4.470 -0.000 0.000 0.291 76 S C -0.597 174.071 174.600 0.115 0.000 1.151 76 S CA -0.536 57.727 58.200 0.105 0.000 1.082 76 S CB 1.318 64.597 63.200 0.131 0.000 1.019 76 S HN 0.207 nan 8.310 nan 0.000 0.492 77 L N 2.591 123.893 121.223 0.132 0.000 2.341 77 L HA 0.585 4.925 4.340 -0.000 0.000 0.267 77 L C -0.886 176.125 176.870 0.236 0.000 1.009 77 L CA -0.724 54.202 54.840 0.143 0.000 0.819 77 L CB 1.207 43.319 42.059 0.087 0.000 1.323 77 L HN 0.732 nan 8.230 nan 0.000 0.425 78 Y N 0.986 121.357 120.300 0.120 0.000 2.391 78 Y HA 0.719 5.269 4.550 -0.000 0.000 0.341 78 Y C -0.577 175.416 175.900 0.154 0.000 0.965 78 Y CA -0.333 57.878 58.100 0.186 0.000 1.067 78 Y CB 2.002 40.629 38.460 0.280 0.000 1.199 78 Y HN 0.562 nan 8.280 nan 0.000 0.450 79 S N 4.514 119.912 115.700 -0.503 0.000 2.536 79 S HA 0.544 5.014 4.470 -0.000 0.000 0.271 79 S C -1.866 172.556 174.600 -0.296 0.000 1.134 79 S CA -0.721 57.310 58.200 -0.281 0.000 0.897 79 S CB 1.219 64.382 63.200 -0.062 0.000 1.094 79 S HN 0.765 nan 8.310 nan 0.000 0.473 80 E N 3.330 123.463 120.200 -0.111 0.000 2.210 80 E HA 0.479 4.829 4.350 -0.000 0.000 0.266 80 E C -0.790 175.862 176.600 0.086 0.000 0.883 80 E CA -0.897 55.510 56.400 0.010 0.000 0.761 80 E CB 1.649 31.373 29.700 0.040 0.000 1.156 80 E HN 0.475 nan 8.360 nan 0.000 0.412 81 M N 1.256 120.954 119.600 0.163 0.000 2.644 81 M HA 0.309 4.789 4.480 -0.000 0.000 0.316 81 M C 0.350 176.698 176.300 0.081 0.000 1.200 81 M CA -0.839 54.522 55.300 0.101 0.000 0.944 81 M CB 1.696 34.357 32.600 0.103 0.000 1.691 81 M HN 0.553 nan 8.290 nan 0.000 0.471 82 S N -0.142 115.584 115.700 0.044 0.000 2.593 82 S HA 0.133 4.603 4.470 -0.000 0.000 0.269 82 S C 0.612 175.235 174.600 0.037 0.000 1.334 82 S CA -0.435 57.785 58.200 0.034 0.000 1.015 82 S CB 0.760 63.971 63.200 0.018 0.000 0.912 82 S HN 0.633 nan 8.310 nan 0.000 0.541 83 D N 1.356 121.774 120.400 0.030 0.000 2.158 83 D HA -0.190 4.449 4.640 -0.000 0.000 0.197 83 D C 1.961 178.274 176.300 0.022 0.000 0.995 83 D CA 1.996 56.013 54.000 0.027 0.000 0.846 83 D CB -0.158 40.653 40.800 0.019 0.000 0.941 83 D HN 0.959 nan 8.370 nan 0.000 0.456 84 E N 1.125 121.334 120.200 0.015 0.000 2.047 84 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 84 E C 1.440 178.042 176.600 0.003 0.000 0.987 84 E CA 1.089 57.494 56.400 0.008 0.000 0.799 84 E CB -0.138 29.564 29.700 0.004 0.000 0.752 84 E HN -0.006 nan 8.360 nan 0.000 0.449 85 D N 1.126 121.527 120.400 0.001 0.000 2.106 85 D HA -0.164 4.476 4.640 -0.000 0.000 0.191 85 D C 2.199 178.488 176.300 -0.017 0.000 0.997 85 D CA 1.700 55.690 54.000 -0.017 0.000 0.834 85 D CB -0.447 40.339 40.800 -0.022 0.000 0.956 85 D HN 0.117 nan 8.370 nan 0.000 0.448 86 V N 0.833 120.762 119.914 0.026 0.000 2.546 86 V HA -0.246 3.873 4.120 -0.000 0.000 0.254 86 V C 2.215 178.328 176.094 0.031 0.000 1.076 86 V CA 1.502 63.840 62.300 0.063 0.000 1.087 86 V CB -0.387 31.512 31.823 0.126 0.000 0.674 86 V HN 0.232 nan 8.190 nan 0.000 0.470 87 K N -0.352 120.057 120.400 0.014 0.000 2.217 87 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 87 K C 2.026 178.621 176.600 -0.008 0.000 1.051 87 K CA 1.090 57.381 56.287 0.007 0.000 0.952 87 K CB -0.081 32.423 32.500 0.006 0.000 0.736 87 K HN 0.568 nan 8.250 nan 0.000 0.453 88 E N 0.680 120.866 120.200 -0.024 0.000 2.347 88 E HA -0.036 4.314 4.350 -0.000 0.000 0.196 88 E C 0.112 176.670 176.600 -0.070 0.000 1.008 88 E CA 0.170 56.545 56.400 -0.042 0.000 0.852 88 E CB 0.054 29.723 29.700 -0.052 0.000 0.783 88 E HN 0.265 nan 8.360 nan 0.000 0.505 89 I N 2.564 123.088 120.570 -0.077 0.000 2.671 89 I HA -0.075 4.095 4.170 -0.000 0.000 0.285 89 I C 0.678 176.767 176.117 -0.047 0.000 1.148 89 I CA 0.509 61.751 61.300 -0.097 0.000 1.386 89 I CB 0.312 38.268 38.000 -0.072 0.000 1.406 89 I HN -0.174 nan 8.210 nan 0.000 0.540 90 K N 7.624 127.995 120.400 -0.048 0.000 3.225 90 K HA 0.022 4.341 4.320 -0.000 0.000 0.282 90 K C -0.022 176.580 176.600 0.004 0.000 1.060 90 K CA 0.007 56.287 56.287 -0.012 0.000 1.186 90 K CB -0.269 32.232 32.500 0.002 0.000 1.214 90 K HN 0.636 nan 8.250 nan 0.000 0.428 91 Q N -1.210 118.594 119.800 0.007 0.000 2.527 91 Q HA 0.222 4.562 4.340 -0.000 0.000 0.280 91 Q C -1.346 174.675 176.000 0.035 0.000 0.977 91 Q CA -1.113 54.705 55.803 0.024 0.000 0.837 91 Q CB 0.925 29.681 28.738 0.029 0.000 1.454 91 Q HN -0.118 nan 8.270 nan 0.000 0.387 92 K N 1.493 121.915 120.400 0.037 0.000 2.441 92 K HA 0.026 4.346 4.320 -0.000 0.000 0.273 92 K C -1.011 175.620 176.600 0.052 0.000 1.090 92 K CA 1.165 57.474 56.287 0.036 0.000 1.158 92 K CB 0.143 32.660 32.500 0.029 0.000 0.847 92 K HN 0.580 nan 8.250 nan 0.000 0.483 93 T N 3.276 117.861 114.554 0.051 0.000 2.876 93 T HA 0.151 4.500 4.350 -0.000 0.000 0.289 93 T C -1.158 173.549 174.700 0.012 0.000 1.014 93 T CA -0.773 61.369 62.100 0.070 0.000 0.986 93 T CB 1.413 70.357 68.868 0.126 0.000 1.021 93 T HN 0.478 nan 8.240 nan 0.000 0.458 94 D N 1.437 121.814 120.400 -0.039 0.000 2.412 94 D HA 0.525 5.165 4.640 -0.000 0.000 0.276 94 D C 0.487 176.705 176.300 -0.137 0.000 1.196 94 D CA 0.421 54.378 54.000 -0.071 0.000 0.905 94 D CB -0.063 40.697 40.800 -0.065 0.000 1.081 94 D HN 1.000 nan 8.370 nan 0.000 0.502 95 G N 2.866 111.598 108.800 -0.114 0.000 2.631 95 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.504 95 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.504 95 G C 0.275 175.046 174.900 -0.215 0.000 1.306 95 G CA -0.594 44.420 45.100 -0.144 0.000 0.897 95 G HN 0.365 nan 8.290 nan 0.000 0.520 96 N N -0.102 118.479 118.700 -0.198 0.000 2.203 96 N HA 0.294 5.034 4.740 -0.000 0.000 0.207 96 N C 0.374 175.684 175.510 -0.334 0.000 1.130 96 N CA 0.605 53.562 53.050 -0.155 0.000 0.861 96 N CB 0.930 39.416 38.487 -0.003 0.000 1.005 96 N HN 0.507 nan 8.380 nan 0.000 0.507 97 S N 0.363 115.734 115.700 -0.548 0.000 2.541 97 S HA 0.585 5.055 4.470 -0.000 0.000 0.283 97 S C -0.700 173.330 174.600 -0.950 0.000 1.196 97 S CA -0.333 57.550 58.200 -0.527 0.000 1.062 97 S CB 0.778 63.876 63.200 -0.171 0.000 1.009 97 S HN 0.037 nan 8.310 nan 0.000 0.502 98 F N 1.673 121.460 119.950 -0.272 0.000 2.578 98 F HA 0.546 5.072 4.527 -0.000 0.000 0.311 98 F C -0.576 175.158 175.800 -0.110 0.000 1.094 98 F CA -0.978 56.930 58.000 -0.154 0.000 0.923 98 F CB 1.417 40.333 39.000 -0.140 0.000 1.230 98 F HN 0.311 nan 8.300 nan 0.000 0.450 99 L N 4.678 125.989 121.223 0.146 0.000 2.305 99 L HA 0.696 5.035 4.340 -0.000 0.000 0.284 99 L C -1.213 175.738 176.870 0.135 0.000 1.013 99 L CA -0.375 54.560 54.840 0.157 0.000 0.819 99 L CB 0.839 42.977 42.059 0.131 0.000 1.227 99 L HN 0.504 nan 8.230 nan 0.000 0.417 100 I N 4.736 125.381 120.570 0.125 0.000 2.389 100 I HA 0.352 4.522 4.170 -0.000 0.000 0.288 100 I C -0.442 175.724 176.117 0.081 0.000 0.999 100 I CA -0.427 60.925 61.300 0.087 0.000 1.129 100 I CB 1.379 39.415 38.000 0.060 0.000 1.288 100 I HN 0.632 nan 8.210 nan 0.000 0.444 101 N N 6.424 125.166 118.700 0.070 0.000 2.462 101 N HA 0.334 5.074 4.740 -0.000 0.000 0.242 101 N C -0.885 174.656 175.510 0.051 0.000 1.010 101 N CA -0.564 52.527 53.050 0.068 0.000 0.939 101 N CB 1.169 39.701 38.487 0.074 0.000 1.127 101 N HN 0.367 nan 8.380 nan 0.000 0.509 102 L N 4.828 126.076 121.223 0.041 0.000 2.282 102 L HA 0.415 4.755 4.340 -0.000 0.000 0.287 102 L C -0.831 176.049 176.870 0.017 0.000 1.075 102 L CA -0.221 54.632 54.840 0.022 0.000 0.839 102 L CB 0.040 42.106 42.059 0.013 0.000 1.219 102 L HN 0.495 nan 8.230 nan 0.000 0.434 103 I N 3.578 124.161 120.570 0.021 0.000 2.365 103 I HA 0.164 4.334 4.170 -0.000 0.000 0.291 103 I C 0.198 176.306 176.117 -0.014 0.000 1.004 103 I CA -0.627 60.682 61.300 0.015 0.000 1.311 103 I CB 1.115 39.149 38.000 0.056 0.000 1.401 103 I HN 0.517 nan 8.210 nan 0.000 0.491 104 D N 4.909 125.284 120.400 -0.042 0.000 2.414 104 D HA 0.196 4.835 4.640 -0.000 0.000 0.242 104 D C -0.468 175.797 176.300 -0.058 0.000 1.129 104 D CA 0.209 54.174 54.000 -0.058 0.000 0.885 104 D CB 0.805 41.558 40.800 -0.079 0.000 1.198 104 D HN 0.550 nan 8.370 nan 0.000 0.437 105 S N 2.336 117.996 115.700 -0.067 0.000 2.526 105 S HA 0.718 5.188 4.470 -0.000 0.000 0.293 105 S C -2.625 171.900 174.600 -0.126 0.000 1.092 105 S CA -1.408 56.742 58.200 -0.084 0.000 0.980 105 S CB 1.631 64.779 63.200 -0.087 0.000 1.048 105 S HN 0.250 nan 8.310 nan 0.000 0.483 106 P HA 0.251 nan 4.420 nan 0.000 0.271 106 P C 0.913 178.016 177.300 -0.328 0.000 1.233 106 P CA -0.170 62.776 63.100 -0.257 0.000 0.795 106 P CB 0.187 31.596 31.700 -0.486 0.000 0.936 107 G N -1.058 107.594 108.800 -0.247 0.000 3.126 107 G HA2 0.017 3.977 3.960 -0.000 0.000 0.224 107 G HA3 0.017 3.977 3.960 -0.000 0.000 0.224 107 G C -0.215 174.552 174.900 -0.220 0.000 1.142 107 G CA 0.054 45.034 45.100 -0.201 0.000 0.759 107 G HN 0.703 nan 8.290 nan 0.000 0.550 108 H N -0.307 118.676 119.070 -0.146 0.000 2.742 108 H HA 0.496 5.051 4.556 -0.000 0.000 0.302 108 H C -0.376 174.794 175.328 -0.263 0.000 1.069 108 H CA -1.011 54.914 56.048 -0.205 0.000 1.446 108 H CB 1.424 31.086 29.762 -0.166 0.000 1.462 108 H HN -0.014 nan 8.280 nan 0.000 0.499 109 V N 1.538 121.250 119.914 -0.337 0.000 2.260 109 V HA 0.230 4.350 4.120 -0.000 0.000 0.263 109 V C -0.447 175.236 176.094 -0.686 0.000 1.036 109 V CA -0.711 61.343 62.300 -0.410 0.000 0.874 109 V CB 0.027 31.644 31.823 -0.344 0.000 1.116 109 V HN 0.998 nan 8.190 nan 0.000 0.454 110 D N 0.757 120.822 120.400 -0.558 0.000 2.571 110 D HA 0.318 4.958 4.640 -0.000 0.000 0.239 110 D C 0.269 176.655 176.300 0.142 0.000 1.267 110 D CA -0.833 52.822 54.000 -0.575 0.000 0.823 110 D CB -0.115 40.405 40.800 -0.467 0.000 1.056 110 D HN 0.267 nan 8.370 nan 0.000 0.494 111 F N 0.552 120.522 119.950 0.032 0.000 3.080 111 F HA -0.293 4.234 4.527 -0.000 0.000 0.292 111 F C 0.718 176.534 175.800 0.026 0.000 0.891 111 F CA 0.505 58.526 58.000 0.035 0.000 1.086 111 F CB -2.122 36.904 39.000 0.044 0.000 1.095 111 F HN 0.220 nan 8.300 nan 0.000 0.633 112 S N -0.435 115.347 115.700 0.136 0.000 2.593 112 S HA 0.356 4.825 4.470 -0.000 0.000 0.269 112 S C 1.264 175.951 174.600 0.144 0.000 1.334 112 S CA -0.154 58.134 58.200 0.147 0.000 1.015 112 S CB 1.697 65.038 63.200 0.236 0.000 0.912 112 S HN 0.525 nan 8.310 nan 0.000 0.541 113 S N 0.452 116.231 115.700 0.131 0.000 2.527 113 S HA -0.006 4.464 4.470 -0.000 0.000 0.222 113 S C 1.163 175.850 174.600 0.144 0.000 0.985 113 S CA 0.041 58.317 58.200 0.126 0.000 0.921 113 S CB -0.407 62.858 63.200 0.108 0.000 0.772 113 S HN 0.766 nan 8.310 nan 0.000 0.529 114 E N 1.774 122.086 120.200 0.187 0.000 2.107 114 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 114 E C 2.188 178.875 176.600 0.145 0.000 0.982 114 E CA 0.729 57.255 56.400 0.210 0.000 0.809 114 E CB -0.815 29.090 29.700 0.342 0.000 0.756 114 E HN 0.485 nan 8.360 nan 0.000 0.459 115 V N 1.674 121.640 119.914 0.087 0.000 2.323 115 V HA -0.189 3.930 4.120 -0.000 0.000 0.244 115 V C 2.371 178.484 176.094 0.031 0.000 1.041 115 V CA 2.085 64.366 62.300 -0.031 0.000 1.025 115 V CB -0.968 30.780 31.823 -0.126 0.000 0.656 115 V HN 0.250 nan 8.190 nan 0.000 0.451 116 T N 0.571 115.166 114.554 0.068 0.000 2.737 116 T HA -0.217 4.133 4.350 -0.000 0.000 0.269 116 T C 2.033 176.805 174.700 0.121 0.000 1.040 116 T CA 1.728 63.880 62.100 0.087 0.000 1.142 116 T CB -0.422 68.507 68.868 0.102 0.000 0.861 116 T HN 0.576 nan 8.240 nan 0.000 0.456 117 A N 1.314 124.229 122.820 0.157 0.000 1.902 117 A HA 0.166 4.486 4.320 -0.000 0.000 0.217 117 A C 2.654 180.370 177.584 0.221 0.000 1.181 117 A CA 1.819 53.993 52.037 0.228 0.000 0.623 117 A CB -1.095 18.045 19.000 0.234 0.000 0.818 117 A HN 0.512 nan 8.150 nan 0.000 0.443 118 A N -0.325 122.589 122.820 0.157 0.000 1.902 118 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 118 A C 2.157 179.812 177.584 0.118 0.000 1.181 118 A CA 1.482 53.600 52.037 0.136 0.000 0.623 118 A CB -0.581 18.452 19.000 0.055 0.000 0.818 118 A HN 0.469 nan 8.150 nan 0.000 0.443 119 L N -1.322 119.951 121.223 0.084 0.000 2.093 119 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 119 L C 2.680 179.605 176.870 0.091 0.000 1.085 119 L CA 1.422 56.301 54.840 0.066 0.000 0.755 119 L CB -0.421 41.660 42.059 0.037 0.000 0.904 119 L HN 0.417 nan 8.230 nan 0.000 0.435 120 R N 0.480 121.049 120.500 0.114 0.000 2.139 120 R HA -0.160 4.180 4.340 -0.000 0.000 0.243 120 R C 1.862 178.250 176.300 0.146 0.000 1.145 120 R CA 1.713 57.883 56.100 0.115 0.000 0.976 120 R CB -0.127 30.241 30.300 0.114 0.000 0.866 120 R HN 0.415 nan 8.270 nan 0.000 0.449 121 V N -1.753 118.259 119.914 0.165 0.000 3.633 121 V HA 0.163 4.283 4.120 -0.000 0.000 0.283 121 V C 0.477 176.632 176.094 0.101 0.000 1.305 121 V CA 0.380 62.764 62.300 0.139 0.000 1.153 121 V CB -0.436 31.497 31.823 0.183 0.000 0.950 121 V HN 0.308 nan 8.190 nan 0.000 0.432 122 T N -3.501 111.110 114.554 0.094 0.000 2.950 122 T HA 0.565 4.915 4.350 -0.000 0.000 0.288 122 T C 0.046 174.786 174.700 0.067 0.000 1.035 122 T CA -0.208 61.935 62.100 0.071 0.000 1.028 122 T CB 2.358 71.261 68.868 0.059 0.000 1.109 122 T HN 0.188 nan 8.240 nan 0.000 0.514 123 D N -0.031 120.404 120.400 0.058 0.000 2.473 123 D HA 0.263 4.903 4.640 -0.000 0.000 0.242 123 D C 0.849 177.185 176.300 0.059 0.000 1.106 123 D CA 0.188 54.230 54.000 0.069 0.000 0.854 123 D CB 0.883 41.723 40.800 0.068 0.000 1.192 123 D HN 0.826 nan 8.370 nan 0.000 0.503 124 G N -0.053 108.771 108.800 0.039 0.000 2.642 124 G HA2 0.671 4.631 3.960 -0.000 0.000 0.293 124 G HA3 0.671 4.631 3.960 -0.000 0.000 0.293 124 G C -1.605 173.299 174.900 0.007 0.000 1.341 124 G CA -0.498 44.615 45.100 0.023 0.000 0.916 124 G HN 0.132 nan 8.290 nan 0.000 0.474 125 A N -0.165 122.649 122.820 -0.010 0.000 2.486 125 A HA 0.670 4.990 4.320 -0.000 0.000 0.300 125 A C -1.540 176.017 177.584 -0.044 0.000 1.048 125 A CA -0.614 51.408 52.037 -0.024 0.000 0.696 125 A CB 1.956 20.941 19.000 -0.026 0.000 1.278 125 A HN 1.489 nan 8.150 nan 0.000 0.405 126 L N 3.236 124.430 121.223 -0.050 0.000 2.264 126 L HA 0.592 4.932 4.340 -0.000 0.000 0.287 126 L C -0.873 175.955 176.870 -0.071 0.000 1.039 126 L CA -0.172 54.626 54.840 -0.069 0.000 0.829 126 L CB 0.873 42.891 42.059 -0.068 0.000 1.211 126 L HN 0.387 nan 8.230 nan 0.000 0.427 127 V N 6.130 125.995 119.914 -0.082 0.000 2.385 127 V HA 0.321 4.440 4.120 -0.000 0.000 0.269 127 V C 0.191 176.241 176.094 -0.073 0.000 1.043 127 V CA -0.629 61.629 62.300 -0.070 0.000 0.906 127 V CB 1.202 32.982 31.823 -0.071 0.000 0.995 127 V HN 0.500 nan 8.190 nan 0.000 0.467 128 V N 6.249 126.140 119.914 -0.038 0.000 2.432 128 V HA 0.455 4.575 4.120 -0.000 0.000 0.275 128 V C 0.048 176.174 176.094 0.053 0.000 1.043 128 V CA -0.318 61.971 62.300 -0.017 0.000 0.925 128 V CB 1.526 33.355 31.823 0.010 0.000 0.985 128 V HN 0.623 nan 8.190 nan 0.000 0.466 129 V N 3.408 123.331 119.914 0.015 0.000 2.735 129 V HA 0.374 4.494 4.120 -0.000 0.000 0.310 129 V C -0.461 175.607 176.094 -0.044 0.000 1.061 129 V CA -0.814 61.520 62.300 0.055 0.000 0.913 129 V CB 2.238 34.063 31.823 0.003 0.000 1.005 129 V HN 0.943 nan 8.190 nan 0.000 0.428 130 D N 2.188 122.474 120.400 -0.190 0.000 2.304 130 D HA 0.247 4.887 4.640 -0.000 0.000 0.250 130 D C 1.248 177.484 176.300 -0.106 0.000 1.107 130 D CA 0.253 54.055 54.000 -0.330 0.000 0.885 130 D CB 1.797 42.122 40.800 -0.793 0.000 1.192 130 D HN 0.602 nan 8.370 nan 0.000 0.436 131 T N 3.237 117.782 114.554 -0.016 0.000 2.635 131 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 131 T C 1.818 176.543 174.700 0.043 0.000 1.040 131 T CA 1.156 63.326 62.100 0.116 0.000 1.156 131 T CB -0.171 68.795 68.868 0.164 0.000 0.863 131 T HN 0.439 nan 8.240 nan 0.000 0.430 132 I N 0.481 121.039 120.570 -0.021 0.000 2.188 132 I HA -0.058 4.112 4.170 -0.000 0.000 0.237 132 I C 2.581 178.675 176.117 -0.038 0.000 1.073 132 I CA 1.207 62.491 61.300 -0.028 0.000 1.359 132 I CB -0.403 37.577 38.000 -0.034 0.000 1.083 132 I HN 0.257 nan 8.210 nan 0.000 0.412 133 E N 0.983 121.134 120.200 -0.081 0.000 2.265 133 E HA -0.001 4.348 4.350 -0.000 0.000 0.196 133 E C 1.252 177.842 176.600 -0.017 0.000 0.996 133 E CA 0.573 56.940 56.400 -0.055 0.000 0.832 133 E CB -0.168 29.489 29.700 -0.072 0.000 0.756 133 E HN 0.604 nan 8.360 nan 0.000 0.491 134 G N 0.600 109.388 108.800 -0.021 0.000 2.569 134 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.259 134 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.259 134 G C -0.059 174.882 174.900 0.069 0.000 1.263 134 G CA -0.264 44.851 45.100 0.025 0.000 0.928 134 G HN 0.139 nan 8.290 nan 0.000 0.572 135 V N 0.641 120.594 119.914 0.064 0.000 2.455 135 V HA 0.418 4.538 4.120 -0.000 0.000 0.273 135 V C 0.984 177.124 176.094 0.076 0.000 1.045 135 V CA -0.114 62.232 62.300 0.078 0.000 0.976 135 V CB 0.166 32.021 31.823 0.052 0.000 0.993 135 V HN 0.892 nan 8.190 nan 0.000 0.475 136 C N 3.848 123.202 119.300 0.089 0.000 2.401 136 C HA 0.416 4.876 4.460 -0.000 0.000 0.356 136 C C 2.051 177.125 174.990 0.140 0.000 1.192 136 C CA -0.246 58.824 59.018 0.086 0.000 2.028 136 C CB 1.574 29.292 27.740 -0.036 0.000 2.344 136 C HN 0.849 nan 8.230 nan 0.000 0.525 137 V N 0.502 120.504 119.914 0.147 0.000 2.317 137 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 137 V C 1.969 178.127 176.094 0.107 0.000 1.065 137 V CA 2.203 64.577 62.300 0.123 0.000 1.049 137 V CB -1.233 30.662 31.823 0.121 0.000 0.651 137 V HN 0.976 nan 8.190 nan 0.000 0.450 138 Q N 0.172 120.063 119.800 0.152 0.000 2.096 138 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 138 Q C 2.432 178.395 176.000 -0.061 0.000 0.982 138 Q CA 2.557 58.341 55.803 -0.032 0.000 0.850 138 Q CB -0.319 28.173 28.738 -0.409 0.000 0.901 138 Q HN 0.832 nan 8.270 nan 0.000 0.422 139 T N 0.392 114.961 114.554 0.025 0.000 2.708 139 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 139 T C 1.566 176.246 174.700 -0.033 0.000 1.037 139 T CA 1.458 63.554 62.100 -0.008 0.000 1.146 139 T CB -0.230 68.663 68.868 0.042 0.000 0.865 139 T HN 0.400 nan 8.240 nan 0.000 0.435 140 E N 0.410 120.606 120.200 -0.006 0.000 2.110 140 E HA -0.155 4.194 4.350 -0.000 0.000 0.193 140 E C 2.079 178.623 176.600 -0.094 0.000 0.988 140 E CA 1.264 57.656 56.400 -0.015 0.000 0.804 140 E CB -0.067 29.656 29.700 0.039 0.000 0.745 140 E HN 0.379 nan 8.360 nan 0.000 0.458 141 T N 0.209 114.666 114.554 -0.162 0.000 2.708 141 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 141 T C 1.871 176.312 174.700 -0.431 0.000 1.037 141 T CA 1.380 63.217 62.100 -0.439 0.000 1.146 141 T CB -0.066 68.489 68.868 -0.521 0.000 0.865 141 T HN 0.041 nan 8.240 nan 0.000 0.435 142 V N 1.415 121.164 119.914 -0.275 0.000 2.488 142 V HA -0.026 4.093 4.120 -0.000 0.000 0.246 142 V C 2.349 178.360 176.094 -0.138 0.000 1.046 142 V CA 0.922 63.096 62.300 -0.211 0.000 1.053 142 V CB -0.627 31.091 31.823 -0.175 0.000 0.679 142 V HN 0.307 nan 8.190 nan 0.000 0.458 143 L N 0.738 121.893 121.223 -0.114 0.000 2.046 143 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 143 L C 2.538 179.358 176.870 -0.084 0.000 1.077 143 L CA 2.103 56.898 54.840 -0.075 0.000 0.747 143 L CB -0.827 41.202 42.059 -0.051 0.000 0.896 143 L HN 0.220 nan 8.230 nan 0.000 0.432 144 R N -0.942 119.472 120.500 -0.142 0.000 2.073 144 R HA -0.201 4.139 4.340 -0.000 0.000 0.234 144 R C 2.325 178.557 176.300 -0.114 0.000 1.134 144 R CA 1.991 57.939 56.100 -0.254 0.000 0.952 144 R CB -0.253 29.810 30.300 -0.396 0.000 0.850 144 R HN 0.560 nan 8.270 nan 0.000 0.433 145 Q N -0.461 119.314 119.800 -0.041 0.000 2.084 145 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 145 Q C 2.131 178.133 176.000 0.004 0.000 0.978 145 Q CA 1.617 57.434 55.803 0.022 0.000 0.844 145 Q CB -0.088 28.655 28.738 0.008 0.000 0.898 145 Q HN 0.457 nan 8.270 nan 0.000 0.426 146 A N 0.908 123.716 122.820 -0.021 0.000 1.865 146 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 146 A C 2.045 179.638 177.584 0.014 0.000 1.191 146 A CA 1.231 53.265 52.037 -0.004 0.000 0.623 146 A CB -0.830 18.159 19.000 -0.019 0.000 0.826 146 A HN 0.323 nan 8.150 nan 0.000 0.444 147 L N -0.566 120.663 121.223 0.010 0.000 2.127 147 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 147 L C 2.672 179.572 176.870 0.050 0.000 1.089 147 L CA 0.986 55.848 54.840 0.037 0.000 0.757 147 L CB -0.739 41.359 42.059 0.066 0.000 0.899 147 L HN 0.516 nan 8.230 nan 0.000 0.434 148 G N -0.902 107.923 108.800 0.042 0.000 2.509 148 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.218 148 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.218 148 G C 1.248 176.176 174.900 0.046 0.000 1.124 148 G CA 0.241 45.371 45.100 0.049 0.000 0.776 148 G HN 0.271 nan 8.290 nan 0.000 0.547 149 E N 0.142 120.370 120.200 0.046 0.000 2.451 149 E HA 0.145 4.494 4.350 -0.000 0.000 0.194 149 E C 0.497 177.141 176.600 0.074 0.000 1.027 149 E CA -0.460 55.972 56.400 0.052 0.000 0.914 149 E CB 0.123 29.854 29.700 0.051 0.000 1.054 149 E HN 0.347 nan 8.360 nan 0.000 0.461 150 R N 0.499 121.041 120.500 0.069 0.000 3.416 150 R HA -0.179 4.161 4.340 -0.000 0.000 0.263 150 R C -0.198 176.155 176.300 0.089 0.000 1.053 150 R CA 0.399 56.546 56.100 0.078 0.000 0.705 150 R CB -2.067 28.308 30.300 0.124 0.000 1.124 150 R HN 0.213 nan 8.270 nan 0.000 0.444 151 I N 0.718 121.325 120.570 0.061 0.000 2.440 151 I HA 0.158 4.328 4.170 -0.000 0.000 0.294 151 I C 0.809 176.945 176.117 0.031 0.000 0.995 151 I CA -0.393 60.938 61.300 0.053 0.000 1.306 151 I CB 1.328 39.351 38.000 0.037 0.000 1.407 151 I HN 0.021 nan 8.210 nan 0.000 0.501 152 K N 7.918 128.337 120.400 0.030 0.000 2.201 152 K HA 0.453 4.773 4.320 -0.000 0.000 0.278 152 K C -2.530 174.064 176.600 -0.009 0.000 1.027 152 K CA -1.515 54.778 56.287 0.010 0.000 0.909 152 K CB 1.226 33.738 32.500 0.020 0.000 1.062 152 K HN 0.244 nan 8.250 nan 0.000 0.465 153 P HA 0.287 nan 4.420 nan 0.000 0.290 153 P C -1.251 175.998 177.300 -0.084 0.000 1.283 153 P CA -0.669 62.399 63.100 -0.054 0.000 0.869 153 P CB 1.928 33.593 31.700 -0.058 0.000 1.100 154 V N 2.028 121.881 119.914 -0.101 0.000 2.851 154 V HA 0.289 4.409 4.120 -0.000 0.000 0.307 154 V C -0.326 175.671 176.094 -0.161 0.000 1.129 154 V CA -0.726 61.488 62.300 -0.143 0.000 0.932 154 V CB 2.699 34.455 31.823 -0.113 0.000 1.024 154 V HN 0.269 nan 8.190 nan 0.000 0.426 155 V N 5.044 124.826 119.914 -0.220 0.000 2.769 155 V HA 0.675 4.794 4.120 -0.000 0.000 0.312 155 V C -0.667 175.238 176.094 -0.315 0.000 1.058 155 V CA -0.574 61.582 62.300 -0.239 0.000 0.952 155 V CB 2.236 33.907 31.823 -0.253 0.000 1.019 155 V HN 0.582 nan 8.190 nan 0.000 0.445 156 V N 4.779 124.525 119.914 -0.280 0.000 2.482 156 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 156 V C -0.361 175.562 176.094 -0.284 0.000 1.026 156 V CA -0.332 61.774 62.300 -0.322 0.000 0.856 156 V CB 1.713 33.400 31.823 -0.227 0.000 1.001 156 V HN 0.663 nan 8.190 nan 0.000 0.424 157 I N 4.593 124.931 120.570 -0.388 0.000 2.308 157 I HA 0.260 4.430 4.170 -0.000 0.000 0.293 157 I C 0.410 176.451 176.117 -0.127 0.000 1.078 157 I CA 0.125 61.290 61.300 -0.225 0.000 1.292 157 I CB 0.637 38.478 38.000 -0.265 0.000 1.423 157 I HN 0.595 nan 8.210 nan 0.000 0.493 158 N N 4.655 123.303 118.700 -0.086 0.000 2.447 158 N HA 0.224 4.964 4.740 -0.000 0.000 0.271 158 N C 0.146 175.633 175.510 -0.038 0.000 1.226 158 N CA -0.310 52.696 53.050 -0.073 0.000 0.980 158 N CB 0.704 39.143 38.487 -0.081 0.000 1.206 158 N HN 0.294 nan 8.380 nan 0.000 0.558 159 K N -0.816 119.552 120.400 -0.054 0.000 3.160 159 K HA -0.139 4.181 4.320 -0.000 0.000 0.280 159 K C 0.668 177.278 176.600 0.016 0.000 1.154 159 K CA 0.652 56.910 56.287 -0.048 0.000 0.822 159 K CB -1.862 30.596 32.500 -0.071 0.000 1.239 159 K HN 0.326 nan 8.250 nan 0.000 0.489 160 V N 0.162 120.123 119.914 0.078 0.000 2.469 160 V HA -0.329 3.790 4.120 -0.000 0.000 0.251 160 V C 2.065 178.238 176.094 0.132 0.000 1.064 160 V CA 2.346 64.756 62.300 0.184 0.000 1.066 160 V CB -0.571 31.433 31.823 0.301 0.000 0.667 160 V HN 0.679 nan 8.190 nan 0.000 0.461 161 D N -0.121 120.330 120.400 0.085 0.000 2.221 161 D HA -0.240 4.400 4.640 -0.000 0.000 0.204 161 D C 2.169 178.511 176.300 0.071 0.000 0.982 161 D CA 1.145 55.206 54.000 0.101 0.000 0.857 161 D CB -0.315 40.463 40.800 -0.037 0.000 0.934 161 D HN 0.289 nan 8.370 nan 0.000 0.475 162 R N 0.243 120.760 120.500 0.028 0.000 2.081 162 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 162 R C 2.446 178.769 176.300 0.038 0.000 1.131 162 R CA 1.303 57.419 56.100 0.026 0.000 0.960 162 R CB -0.459 29.843 30.300 0.003 0.000 0.856 162 R HN 0.372 nan 8.270 nan 0.000 0.436 163 A N 0.876 123.721 122.820 0.042 0.000 2.015 163 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 163 A C 2.133 179.738 177.584 0.036 0.000 1.163 163 A CA 0.992 53.047 52.037 0.030 0.000 0.646 163 A CB -0.255 18.755 19.000 0.016 0.000 0.806 163 A HN 0.163 nan 8.150 nan 0.000 0.448 164 L N -1.623 119.629 121.223 0.049 0.000 2.168 164 L HA 0.001 4.341 4.340 -0.000 0.000 0.203 164 L C 2.262 179.170 176.870 0.063 0.000 1.078 164 L CA 0.287 55.148 54.840 0.035 0.000 0.780 164 L CB -0.456 41.601 42.059 -0.003 0.000 0.939 164 L HN 0.235 nan 8.230 nan 0.000 0.451 165 L N -0.098 121.179 121.223 0.090 0.000 2.084 165 L HA -0.030 4.310 4.340 -0.000 0.000 0.202 165 L C 2.422 179.335 176.870 0.070 0.000 1.074 165 L CA 1.623 56.521 54.840 0.096 0.000 0.757 165 L CB -0.719 41.418 42.059 0.131 0.000 0.918 165 L HN 0.163 nan 8.230 nan 0.000 0.444 166 E N -0.757 119.478 120.200 0.059 0.000 2.014 166 E HA -0.120 4.229 4.350 -0.000 0.000 0.190 166 E C 1.913 178.535 176.600 0.037 0.000 0.980 166 E CA 0.700 57.127 56.400 0.045 0.000 0.807 166 E CB -0.177 29.545 29.700 0.037 0.000 0.770 166 E HN 0.121 nan 8.360 nan 0.000 0.451 167 L N 1.070 122.312 121.223 0.031 0.000 2.465 167 L HA -0.050 4.290 4.340 -0.000 0.000 0.224 167 L C 0.627 177.514 176.870 0.028 0.000 1.145 167 L CA 1.104 55.959 54.840 0.025 0.000 0.834 167 L CB -0.609 41.459 42.059 0.016 0.000 0.944 167 L HN 0.163 nan 8.230 nan 0.000 0.451 168 Q N -1.557 118.265 119.800 0.036 0.000 2.422 168 Q HA -0.219 4.121 4.340 -0.000 0.000 0.245 168 Q C 0.279 176.303 176.000 0.041 0.000 0.922 168 Q CA 0.345 56.172 55.803 0.041 0.000 1.192 168 Q CB -2.239 26.523 28.738 0.039 0.000 1.641 168 Q HN 0.325 nan 8.270 nan 0.000 0.552 169 V N 1.376 121.309 119.914 0.032 0.000 3.083 169 V HA -0.047 4.073 4.120 -0.000 0.000 0.303 169 V C 1.163 177.287 176.094 0.049 0.000 1.151 169 V CA 0.989 63.304 62.300 0.025 0.000 1.275 169 V CB 0.962 32.785 31.823 0.000 0.000 0.950 169 V HN 0.451 nan 8.190 nan 0.000 0.506 170 S N 2.995 118.719 115.700 0.039 0.000 2.672 170 S HA 0.389 4.859 4.470 -0.000 0.000 0.276 170 S C 0.718 175.350 174.600 0.053 0.000 1.207 170 S CA -0.706 57.527 58.200 0.054 0.000 1.002 170 S CB 1.315 64.533 63.200 0.029 0.000 0.998 170 S HN 0.615 nan 8.310 nan 0.000 0.542 171 K N 0.591 121.021 120.400 0.050 0.000 2.020 171 K HA -0.188 4.131 4.320 -0.000 0.000 0.212 171 K C 2.016 178.628 176.600 0.019 0.000 1.050 171 K CA 1.953 58.245 56.287 0.010 0.000 0.929 171 K CB -0.338 32.076 32.500 -0.144 0.000 0.714 171 K HN 0.750 nan 8.250 nan 0.000 0.443 172 E N 1.237 121.444 120.200 0.011 0.000 2.204 172 E HA -0.168 4.181 4.350 -0.000 0.000 0.194 172 E C 1.308 177.956 176.600 0.081 0.000 0.989 172 E CA 1.417 57.850 56.400 0.055 0.000 0.824 172 E CB -0.038 29.675 29.700 0.022 0.000 0.756 172 E HN 0.201 nan 8.360 nan 0.000 0.477 173 D N -0.327 120.089 120.400 0.025 0.000 2.123 173 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 173 D C 1.867 178.122 176.300 -0.074 0.000 0.976 173 D CA 0.572 54.569 54.000 -0.006 0.000 0.831 173 D CB -0.250 40.544 40.800 -0.011 0.000 0.974 173 D HN 0.211 nan 8.370 nan 0.000 0.469 174 L N 0.465 121.620 121.223 -0.113 0.000 2.017 174 L HA -0.175 4.164 4.340 -0.000 0.000 0.208 174 L C 2.247 178.826 176.870 -0.485 0.000 1.073 174 L CA 1.509 56.140 54.840 -0.348 0.000 0.745 174 L CB -1.046 40.846 42.059 -0.278 0.000 0.894 174 L HN 0.010 nan 8.230 nan 0.000 0.432 175 Y N 0.219 120.369 120.300 -0.251 0.000 2.053 175 Y HA -0.329 4.221 4.550 -0.000 0.000 0.277 175 Y C 2.608 178.495 175.900 -0.022 0.000 1.159 175 Y CA 2.303 60.349 58.100 -0.089 0.000 1.125 175 Y CB -0.539 37.901 38.460 -0.035 0.000 0.969 175 Y HN 0.298 nan 8.280 nan 0.000 0.492 176 Q N -0.220 119.501 119.800 -0.133 0.000 2.112 176 Q HA -0.192 4.147 4.340 -0.000 0.000 0.206 176 Q C 2.241 178.148 176.000 -0.155 0.000 0.987 176 Q CA 2.348 58.053 55.803 -0.164 0.000 0.858 176 Q CB -1.053 27.686 28.738 0.001 0.000 0.905 176 Q HN 0.567 nan 8.270 nan 0.000 0.420 177 T N 1.036 115.504 114.554 -0.142 0.000 2.708 177 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 177 T C 1.575 176.312 174.700 0.062 0.000 1.037 177 T CA 1.060 63.116 62.100 -0.073 0.000 1.146 177 T CB -0.283 68.510 68.868 -0.126 0.000 0.865 177 T HN 0.108 nan 8.240 nan 0.000 0.435 178 F N 1.881 121.812 119.950 -0.033 0.000 2.095 178 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 178 F C 2.747 178.533 175.800 -0.024 0.000 1.104 178 F CA 0.273 58.306 58.000 0.055 0.000 1.232 178 F CB -1.500 37.590 39.000 0.151 0.000 0.987 178 F HN 0.160 nan 8.300 nan 0.000 0.475 179 A N -0.020 122.783 122.820 -0.029 0.000 1.933 179 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 179 A C 2.395 179.971 177.584 -0.013 0.000 1.175 179 A CA 1.427 53.405 52.037 -0.098 0.000 0.628 179 A CB -0.605 18.184 19.000 -0.353 0.000 0.814 179 A HN 0.311 nan 8.150 nan 0.000 0.444 180 R N -1.143 119.351 120.500 -0.010 0.000 2.090 180 R HA -0.054 4.285 4.340 -0.000 0.000 0.228 180 R C 2.150 178.468 176.300 0.030 0.000 1.110 180 R CA 1.633 57.740 56.100 0.011 0.000 0.973 180 R CB -0.608 29.696 30.300 0.008 0.000 0.869 180 R HN 0.498 nan 8.270 nan 0.000 0.440 181 T N 0.789 115.378 114.554 0.058 0.000 2.821 181 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 181 T C 1.950 176.662 174.700 0.020 0.000 1.046 181 T CA 1.049 63.181 62.100 0.053 0.000 1.139 181 T CB -0.045 68.878 68.868 0.091 0.000 0.871 181 T HN -0.010 nan 8.240 nan 0.000 0.454 182 V N 1.377 121.306 119.914 0.024 0.000 2.515 182 V HA -0.080 4.040 4.120 -0.000 0.000 0.250 182 V C 2.679 178.756 176.094 -0.029 0.000 1.058 182 V CA 1.340 63.629 62.300 -0.019 0.000 1.064 182 V CB -0.418 31.414 31.823 0.015 0.000 0.675 182 V HN 0.361 nan 8.190 nan 0.000 0.461 183 E N 0.336 120.535 120.200 -0.002 0.000 2.072 183 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 183 E C 2.494 179.092 176.600 -0.003 0.000 0.982 183 E CA 1.365 57.764 56.400 -0.003 0.000 0.803 183 E CB -0.139 29.570 29.700 0.014 0.000 0.755 183 E HN 0.572 nan 8.360 nan 0.000 0.453 184 S N 0.242 115.947 115.700 0.007 0.000 2.370 184 S HA -0.132 4.338 4.470 -0.000 0.000 0.226 184 S C 2.171 176.778 174.600 0.011 0.000 1.033 184 S CA 1.206 59.416 58.200 0.016 0.000 1.011 184 S CB -0.231 62.984 63.200 0.024 0.000 0.852 184 S HN 0.081 nan 8.310 nan 0.000 0.457 185 V N 2.816 122.724 119.914 -0.009 0.000 2.358 185 V HA -0.112 4.008 4.120 -0.000 0.000 0.246 185 V C 1.803 177.877 176.094 -0.033 0.000 1.047 185 V CA 1.435 63.721 62.300 -0.023 0.000 1.035 185 V CB -0.665 31.124 31.823 -0.057 0.000 0.658 185 V HN 0.432 nan 8.190 nan 0.000 0.452 186 N N -0.205 118.459 118.700 -0.061 0.000 2.571 186 N HA -0.037 4.703 4.740 -0.000 0.000 0.189 186 N C 1.443 176.932 175.510 -0.034 0.000 1.154 186 N CA 0.541 53.544 53.050 -0.079 0.000 0.907 186 N CB 0.288 38.692 38.487 -0.138 0.000 0.977 186 N HN 0.338 nan 8.380 nan 0.000 0.449 187 V N 0.671 120.581 119.914 -0.006 0.000 2.446 187 V HA 0.002 4.121 4.120 -0.000 0.000 0.244 187 V C 2.086 178.201 176.094 0.034 0.000 1.039 187 V CA 0.764 63.069 62.300 0.008 0.000 1.045 187 V CB -0.033 31.802 31.823 0.020 0.000 0.681 187 V HN 0.161 nan 8.190 nan 0.000 0.459 188 I N -0.539 120.077 120.570 0.076 0.000 2.252 188 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 188 I C 2.328 178.560 176.117 0.191 0.000 1.102 188 I CA 1.093 62.502 61.300 0.182 0.000 1.385 188 I CB -0.332 37.758 38.000 0.149 0.000 1.064 188 I HN 0.135 nan 8.210 nan 0.000 0.414 189 V N 0.886 120.848 119.914 0.080 0.000 2.270 189 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 189 V C 2.643 178.757 176.094 0.034 0.000 1.043 189 V CA 2.265 64.597 62.300 0.053 0.000 1.014 189 V CB -0.852 30.962 31.823 -0.015 0.000 0.645 189 V HN 0.595 nan 8.190 nan 0.000 0.447 190 S N -0.747 114.951 115.700 -0.003 0.000 2.419 190 S HA -0.223 4.247 4.470 -0.000 0.000 0.235 190 S C 1.829 176.396 174.600 -0.055 0.000 1.019 190 S CA 1.953 60.140 58.200 -0.022 0.000 0.982 190 S CB -0.701 62.484 63.200 -0.024 0.000 0.789 190 S HN 0.593 nan 8.310 nan 0.000 0.490 191 T N 0.556 115.054 114.554 -0.093 0.000 2.851 191 T HA 0.109 4.459 4.350 -0.000 0.000 0.262 191 T C 0.947 175.414 174.700 -0.387 0.000 1.043 191 T CA 1.182 63.108 62.100 -0.290 0.000 1.140 191 T CB -0.320 68.260 68.868 -0.479 0.000 0.872 191 T HN 0.631 nan 8.240 nan 0.000 0.446 192 Y N 0.765 121.065 120.300 0.000 0.000 2.458 192 Y HA 0.598 5.148 4.550 -0.000 0.000 0.254 192 Y C 1.188 177.087 175.900 -0.002 0.000 1.120 192 Y CA -0.968 57.134 58.100 0.003 0.000 1.282 192 Y CB 0.073 38.544 38.460 0.018 0.000 1.109 192 Y HN 0.075 nan 8.280 nan 0.000 0.526 193 A N 0.532 123.419 122.820 0.112 0.000 2.401 193 A HA 0.191 4.511 4.320 -0.000 0.000 0.259 193 A C -0.565 177.034 177.584 0.024 0.000 1.103 193 A CA -0.516 51.556 52.037 0.058 0.000 0.789 193 A CB -0.165 18.851 19.000 0.028 0.000 1.035 193 A HN 0.208 nan 8.150 nan 0.000 0.491 194 D N 1.998 122.405 120.400 0.013 0.000 2.434 194 D HA 0.176 4.816 4.640 -0.000 0.000 0.252 194 D C 1.086 177.372 176.300 -0.025 0.000 1.185 194 D CA 0.480 54.476 54.000 -0.006 0.000 0.886 194 D CB 0.672 41.464 40.800 -0.014 0.000 1.148 194 D HN 0.656 nan 8.370 nan 0.000 0.483 195 E N 1.157 121.344 120.200 -0.021 0.000 2.273 195 E HA -0.162 4.188 4.350 -0.000 0.000 0.198 195 E C 1.672 178.252 176.600 -0.034 0.000 1.002 195 E CA 0.580 56.966 56.400 -0.024 0.000 0.828 195 E CB 0.105 29.793 29.700 -0.019 0.000 0.747 195 E HN 0.307 nan 8.360 nan 0.000 0.491 196 V N 0.812 120.700 119.914 -0.044 0.000 2.759 196 V HA -0.193 3.926 4.120 -0.000 0.000 0.256 196 V C 1.773 177.807 176.094 -0.100 0.000 1.080 196 V CA 1.060 63.324 62.300 -0.060 0.000 1.101 196 V CB -0.277 31.512 31.823 -0.058 0.000 0.698 196 V HN 0.210 nan 8.190 nan 0.000 0.477 197 L N 0.152 121.305 121.223 -0.115 0.000 2.478 197 L HA 0.376 4.716 4.340 -0.000 0.000 0.223 197 L C 1.474 178.294 176.870 -0.084 0.000 1.140 197 L CA 1.418 56.168 54.840 -0.149 0.000 0.842 197 L CB -1.225 40.747 42.059 -0.145 0.000 0.953 197 L HN 0.482 nan 8.230 nan 0.000 0.452 198 G N -0.701 108.068 108.800 -0.050 0.000 2.488 198 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.237 198 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.237 198 G C -0.513 174.385 174.900 -0.003 0.000 1.209 198 G CA -0.095 44.992 45.100 -0.021 0.000 0.929 198 G HN 0.160 nan 8.290 nan 0.000 0.578 199 D N 0.523 120.935 120.400 0.021 0.000 2.411 199 D HA 0.421 5.061 4.640 -0.000 0.000 0.225 199 D C 0.971 177.296 176.300 0.042 0.000 1.156 199 D CA 0.405 54.436 54.000 0.051 0.000 0.874 199 D CB 1.123 41.988 40.800 0.108 0.000 1.034 199 D HN 0.720 nan 8.370 nan 0.000 0.502 200 V N 4.250 124.167 119.914 0.006 0.000 3.514 200 V HA 0.106 4.226 4.120 -0.000 0.000 0.301 200 V C 0.831 176.891 176.094 -0.055 0.000 1.346 200 V CA 0.140 62.431 62.300 -0.015 0.000 1.156 200 V CB -0.465 31.346 31.823 -0.021 0.000 1.029 200 V HN 0.501 nan 8.190 nan 0.000 0.428 201 Q N -0.024 119.727 119.800 -0.082 0.000 2.535 201 Q HA 0.284 4.623 4.340 -0.000 0.000 0.228 201 Q C -0.553 175.229 176.000 -0.364 0.000 1.062 201 Q CA 0.099 55.759 55.803 -0.238 0.000 0.967 201 Q CB 1.474 30.006 28.738 -0.343 0.000 1.273 201 Q HN 0.329 nan 8.270 nan 0.000 0.554 202 V N 1.568 121.193 119.914 -0.481 0.000 2.483 202 V HA 0.315 4.434 4.120 -0.000 0.000 0.295 202 V C -1.276 174.457 176.094 -0.602 0.000 1.035 202 V CA -0.551 61.493 62.300 -0.427 0.000 0.896 202 V CB 0.771 32.420 31.823 -0.289 0.000 0.986 202 V HN 0.554 nan 8.190 nan 0.000 0.447 203 Y N 4.743 124.947 120.300 -0.161 0.000 2.329 203 Y HA 0.379 4.928 4.550 -0.000 0.000 0.328 203 Y C -1.948 173.767 175.900 -0.308 0.000 0.992 203 Y CA -2.161 55.858 58.100 -0.136 0.000 1.151 203 Y CB 1.969 40.381 38.460 -0.080 0.000 1.150 203 Y HN 0.424 nan 8.280 nan 0.000 0.450 204 P HA -0.258 nan 4.420 nan 0.000 0.216 204 P C 1.329 177.757 177.300 -1.454 0.000 1.153 204 P CA 2.514 65.090 63.100 -0.872 0.000 0.858 204 P CB 0.343 31.439 31.700 -1.006 0.000 0.789 205 A N -0.263 121.648 122.820 -1.514 0.000 2.019 205 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 205 A C 2.011 179.401 177.584 -0.323 0.000 1.164 205 A CA 1.313 52.735 52.037 -1.025 0.000 0.644 205 A CB -0.913 18.270 19.000 0.306 0.000 0.805 205 A HN 0.150 nan 8.150 nan 0.000 0.449 206 R N -1.343 119.020 120.500 -0.228 0.000 2.310 206 R HA 0.228 4.568 4.340 -0.000 0.000 0.202 206 R C 1.137 177.330 176.300 -0.177 0.000 0.933 206 R CA 0.471 56.498 56.100 -0.122 0.000 1.054 206 R CB -0.064 30.199 30.300 -0.061 0.000 0.985 206 R HN 0.644 nan 8.270 nan 0.000 0.489 207 G N 1.204 109.845 108.800 -0.266 0.000 2.143 207 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.248 207 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.248 207 G C 0.680 175.359 174.900 -0.368 0.000 0.991 207 G CA 0.751 45.725 45.100 -0.209 0.000 0.689 207 G HN 0.436 nan 8.290 nan 0.000 0.522 208 T N -2.461 111.803 114.554 -0.483 0.000 3.186 208 T HA 0.584 4.934 4.350 -0.000 0.000 0.257 208 T C 0.240 174.711 174.700 -0.383 0.000 1.029 208 T CA 0.277 62.092 62.100 -0.476 0.000 0.916 208 T CB 1.089 69.678 68.868 -0.465 0.000 1.041 208 T HN 0.826 nan 8.240 nan 0.000 0.562 209 V N 1.056 120.710 119.914 -0.433 0.000 2.623 209 V HA 0.800 4.920 4.120 -0.000 0.000 0.304 209 V C -0.230 175.431 176.094 -0.722 0.000 1.054 209 V CA -1.248 60.704 62.300 -0.580 0.000 0.882 209 V CB 1.436 32.873 31.823 -0.643 0.000 1.002 209 V HN 0.587 nan 8.190 nan 0.000 0.424 210 A N 4.394 126.760 122.820 -0.757 0.000 2.330 210 A HA 1.015 5.335 4.320 -0.000 0.000 0.329 210 A C -1.283 175.717 177.584 -0.974 0.000 1.135 210 A CA -0.424 51.213 52.037 -0.667 0.000 0.817 210 A CB 1.137 19.898 19.000 -0.398 0.000 1.269 210 A HN 0.652 nan 8.150 nan 0.000 0.469 211 F N -0.036 119.697 119.950 -0.362 0.000 2.556 211 F HA 0.737 5.263 4.527 -0.000 0.000 0.314 211 F C 0.724 176.371 175.800 -0.255 0.000 1.106 211 F CA 0.343 58.135 58.000 -0.347 0.000 0.911 211 F CB 2.703 41.480 39.000 -0.373 0.000 1.190 211 F HN 1.040 nan 8.300 nan 0.000 0.448 212 G N 0.428 109.202 108.800 -0.043 0.000 2.356 212 G HA2 0.428 4.387 3.960 -0.000 0.000 0.281 212 G HA3 0.428 4.387 3.960 -0.000 0.000 0.281 212 G C -1.847 172.966 174.900 -0.144 0.000 1.246 212 G CA -0.692 44.297 45.100 -0.185 0.000 0.889 212 G HN 0.665 nan 8.290 nan 0.000 0.486 213 S N -0.717 114.830 115.700 -0.255 0.000 2.789 213 S HA 0.541 5.010 4.470 -0.000 0.000 0.286 213 S C 1.195 175.689 174.600 -0.176 0.000 1.153 213 S CA 0.763 58.862 58.200 -0.169 0.000 1.084 213 S CB 0.807 63.940 63.200 -0.111 0.000 1.036 213 S HN 1.765 nan 8.310 nan 0.000 0.484 214 G N 3.424 112.144 108.800 -0.134 0.000 2.448 214 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.219 214 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.219 214 G C 1.145 176.015 174.900 -0.050 0.000 1.127 214 G CA 0.946 45.987 45.100 -0.098 0.000 0.766 214 G HN 0.653 nan 8.290 nan 0.000 0.552 215 L N -0.024 121.168 121.223 -0.051 0.000 2.095 215 L HA 0.184 4.524 4.340 -0.000 0.000 0.204 215 L C 1.086 178.056 176.870 0.166 0.000 1.080 215 L CA 0.970 55.821 54.840 0.018 0.000 0.759 215 L CB -0.270 41.770 42.059 -0.033 0.000 0.914 215 L HN 0.145 nan 8.230 nan 0.000 0.439 216 H N 0.220 119.307 119.070 0.029 0.000 2.983 216 H HA 0.317 4.873 4.556 -0.000 0.000 0.222 216 H C 1.290 176.653 175.328 0.058 0.000 1.828 216 H CA -0.394 55.702 56.048 0.081 0.000 1.309 216 H CB -0.675 29.194 29.762 0.178 0.000 1.644 216 H HN 0.304 nan 8.280 nan 0.000 0.561 217 G N 0.956 109.816 108.800 0.099 0.000 3.262 217 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.222 217 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.222 217 G C -0.028 174.999 174.900 0.211 0.000 1.269 217 G CA -0.457 44.713 45.100 0.116 0.000 1.032 217 G HN 0.456 nan 8.290 nan 0.000 0.502 218 W N -1.848 119.521 121.300 0.116 0.000 2.936 218 W HA 0.785 5.444 4.660 -0.000 0.000 0.338 218 W C -0.787 175.810 176.519 0.130 0.000 1.121 218 W CA -1.524 55.898 57.345 0.129 0.000 1.209 218 W CB 1.176 30.746 29.460 0.184 0.000 1.420 218 W HN 0.252 nan 8.180 nan 0.000 0.516 219 A N 2.914 125.948 122.820 0.358 0.000 2.586 219 A HA 0.883 5.203 4.320 -0.000 0.000 0.291 219 A C -2.064 175.718 177.584 0.329 0.000 1.062 219 A CA -0.735 51.410 52.037 0.180 0.000 0.666 219 A CB 1.510 20.472 19.000 -0.063 0.000 1.281 219 A HN 1.209 nan 8.150 nan 0.000 0.421 220 F N -1.308 118.774 119.950 0.221 0.000 2.711 220 F HA 0.884 5.410 4.527 -0.000 0.000 0.313 220 F C -0.287 175.633 175.800 0.201 0.000 1.141 220 F CA -0.152 57.963 58.000 0.192 0.000 0.941 220 F CB 1.230 40.415 39.000 0.308 0.000 1.349 220 F HN 0.964 nan 8.300 nan 0.000 0.464 221 T N -0.715 114.102 114.554 0.438 0.000 2.924 221 T HA 0.482 4.832 4.350 -0.000 0.000 0.291 221 T C 0.629 175.660 174.700 0.551 0.000 1.045 221 T CA -0.811 61.481 62.100 0.320 0.000 1.015 221 T CB 1.609 70.566 68.868 0.148 0.000 1.103 221 T HN 0.652 nan 8.240 nan 0.000 0.496 222 I N 0.440 121.274 120.570 0.440 0.000 2.286 222 I HA -0.087 4.083 4.170 -0.000 0.000 0.248 222 I C 2.714 179.016 176.117 0.307 0.000 1.115 222 I CA 1.295 62.866 61.300 0.451 0.000 1.392 222 I CB -1.089 37.116 38.000 0.341 0.000 1.065 222 I HN 0.834 nan 8.210 nan 0.000 0.418 223 R N 1.144 121.763 120.500 0.198 0.000 2.096 223 R HA -0.236 4.104 4.340 -0.000 0.000 0.240 223 R C 2.294 178.637 176.300 0.071 0.000 1.139 223 R CA 1.856 58.022 56.100 0.110 0.000 0.952 223 R CB -0.119 30.222 30.300 0.067 0.000 0.854 223 R HN 0.463 nan 8.270 nan 0.000 0.436 224 Q N -0.957 118.881 119.800 0.063 0.000 2.124 224 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 224 Q C 1.966 177.844 176.000 -0.202 0.000 0.977 224 Q CA 1.683 57.440 55.803 -0.076 0.000 0.850 224 Q CB -0.116 28.550 28.738 -0.119 0.000 0.901 224 Q HN 0.339 nan 8.270 nan 0.000 0.429 225 F N 0.298 120.183 119.950 -0.108 0.000 2.259 225 F HA -0.073 4.453 4.527 -0.000 0.000 0.298 225 F C 2.298 177.909 175.800 -0.315 0.000 1.088 225 F CA 0.910 58.716 58.000 -0.323 0.000 1.358 225 F CB -0.345 38.498 39.000 -0.263 0.000 1.040 225 F HN 0.046 nan 8.300 nan 0.000 0.505 226 A N -0.713 122.149 122.820 0.071 0.000 1.898 226 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 226 A C 2.251 179.842 177.584 0.012 0.000 1.181 226 A CA 2.211 54.281 52.037 0.055 0.000 0.620 226 A CB -1.238 17.799 19.000 0.062 0.000 0.819 226 A HN 0.306 nan 8.150 nan 0.000 0.442 227 T N -0.814 113.726 114.554 -0.022 0.000 2.746 227 T HA -0.146 4.203 4.350 -0.000 0.000 0.267 227 T C 2.085 176.762 174.700 -0.037 0.000 1.039 227 T CA 1.529 63.613 62.100 -0.027 0.000 1.142 227 T CB -0.226 68.616 68.868 -0.043 0.000 0.866 227 T HN 0.564 nan 8.240 nan 0.000 0.444 228 R N -0.370 120.053 120.500 -0.128 0.000 2.096 228 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 228 R C 1.546 177.872 176.300 0.043 0.000 1.127 228 R CA 1.475 57.489 56.100 -0.143 0.000 0.968 228 R CB -0.129 29.942 30.300 -0.382 0.000 0.861 228 R HN 0.411 nan 8.270 nan 0.000 0.440 229 Y N -0.804 119.567 120.300 0.119 0.000 2.478 229 Y HA 0.357 4.906 4.550 -0.000 0.000 0.261 229 Y C 1.907 177.901 175.900 0.158 0.000 1.127 229 Y CA -0.373 57.825 58.100 0.164 0.000 1.288 229 Y CB -0.361 38.211 38.460 0.187 0.000 1.084 229 Y HN 0.131 nan 8.280 nan 0.000 0.530 230 A N 0.868 123.809 122.820 0.201 0.000 1.835 230 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 230 A C 2.085 179.742 177.584 0.122 0.000 1.199 230 A CA 1.595 53.705 52.037 0.122 0.000 0.615 230 A CB -0.573 18.459 19.000 0.053 0.000 0.838 230 A HN 0.278 nan 8.150 nan 0.000 0.444 231 K N -0.694 119.760 120.400 0.091 0.000 2.585 231 K HA -0.033 4.287 4.320 -0.000 0.000 0.194 231 K C 1.430 178.070 176.600 0.067 0.000 1.037 231 K CA 0.851 57.177 56.287 0.066 0.000 0.964 231 K CB -0.046 32.482 32.500 0.046 0.000 0.787 231 K HN 0.415 nan 8.250 nan 0.000 0.488 232 K N -1.343 119.118 120.400 0.101 0.000 2.387 232 K HA 0.101 4.421 4.320 -0.000 0.000 0.197 232 K C 0.785 177.339 176.600 -0.077 0.000 1.127 232 K CA 0.128 56.429 56.287 0.024 0.000 0.950 232 K CB 0.405 32.938 32.500 0.054 0.000 1.017 232 K HN -0.030 nan 8.250 nan 0.000 0.519 233 F N 0.596 120.532 119.950 -0.022 0.000 2.727 233 F HA 0.194 4.720 4.527 -0.000 0.000 0.302 233 F C 1.046 176.842 175.800 -0.007 0.000 1.097 233 F CA 0.446 58.421 58.000 -0.042 0.000 1.330 233 F CB 1.068 40.017 39.000 -0.085 0.000 1.084 233 F HN 0.154 nan 8.300 nan 0.000 0.578 234 G N 1.312 110.191 108.800 0.132 0.000 2.221 234 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.265 234 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.265 234 G C -0.384 174.566 174.900 0.083 0.000 1.041 234 G CA 0.314 45.467 45.100 0.089 0.000 0.807 234 G HN 0.203 nan 8.290 nan 0.000 0.502 235 V N 0.112 120.071 119.914 0.075 0.000 2.925 235 V HA 0.555 4.675 4.120 -0.000 0.000 0.311 235 V C 0.046 176.137 176.094 -0.004 0.000 1.104 235 V CA -0.575 61.731 62.300 0.010 0.000 0.954 235 V CB 2.190 33.973 31.823 -0.066 0.000 1.022 235 V HN 0.530 nan 8.190 nan 0.000 0.427 236 D N 1.859 122.247 120.400 -0.020 0.000 2.372 236 D HA 0.125 4.764 4.640 -0.000 0.000 0.243 236 D C 1.028 177.309 176.300 -0.031 0.000 1.121 236 D CA -0.466 53.525 54.000 -0.015 0.000 0.898 236 D CB 0.717 41.509 40.800 -0.014 0.000 1.202 236 D HN 0.689 nan 8.370 nan 0.000 0.428 237 K N 1.144 121.536 120.400 -0.014 0.000 2.280 237 K HA -0.176 4.144 4.320 -0.000 0.000 0.202 237 K C 1.771 178.357 176.600 -0.024 0.000 1.047 237 K CA 0.997 57.275 56.287 -0.016 0.000 0.942 237 K CB -0.329 32.172 32.500 0.003 0.000 0.739 237 K HN 0.394 nan 8.250 nan 0.000 0.457 238 A N 2.091 124.898 122.820 -0.023 0.000 1.902 238 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 238 A C 2.187 179.745 177.584 -0.043 0.000 1.181 238 A CA 1.912 53.936 52.037 -0.021 0.000 0.623 238 A CB -0.409 18.581 19.000 -0.017 0.000 0.818 238 A HN 0.299 nan 8.150 nan 0.000 0.443 239 K N -1.088 119.268 120.400 -0.074 0.000 2.103 239 K HA 0.024 4.344 4.320 -0.000 0.000 0.204 239 K C 1.926 178.408 176.600 -0.196 0.000 1.052 239 K CA 1.307 57.517 56.287 -0.128 0.000 0.945 239 K CB -0.303 32.107 32.500 -0.150 0.000 0.722 239 K HN 0.287 nan 8.250 nan 0.000 0.443 240 M N 0.762 120.250 119.600 -0.186 0.000 2.117 240 M HA -0.090 4.390 4.480 -0.000 0.000 0.262 240 M C 2.034 178.275 176.300 -0.099 0.000 1.065 240 M CA 1.665 56.831 55.300 -0.224 0.000 1.114 240 M CB -0.846 31.671 32.600 -0.139 0.000 1.361 240 M HN 0.350 nan 8.290 nan 0.000 0.408 241 M N -2.101 117.491 119.600 -0.013 0.000 2.394 241 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 241 M C 0.853 177.208 176.300 0.091 0.000 1.073 241 M CA 1.342 56.685 55.300 0.072 0.000 1.111 241 M CB -0.781 31.868 32.600 0.083 0.000 1.401 241 M HN 0.004 nan 8.290 nan 0.000 0.448 242 D N 1.614 122.031 120.400 0.028 0.000 2.194 242 D HA -0.023 4.617 4.640 -0.000 0.000 0.204 242 D C 2.037 178.370 176.300 0.055 0.000 0.964 242 D CA 1.015 55.047 54.000 0.053 0.000 0.846 242 D CB -0.130 40.675 40.800 0.007 0.000 0.962 242 D HN 0.504 nan 8.370 nan 0.000 0.490 243 R N 0.048 120.520 120.500 -0.047 0.000 2.236 243 R HA 0.154 4.494 4.340 -0.000 0.000 0.208 243 R C 1.762 178.123 176.300 0.100 0.000 1.036 243 R CA 0.156 56.217 56.100 -0.065 0.000 1.001 243 R CB 0.158 30.163 30.300 -0.490 0.000 0.896 243 R HN 0.150 nan 8.270 nan 0.000 0.464 244 L N -0.073 121.246 121.223 0.160 0.000 2.611 244 L HA 0.159 4.499 4.340 -0.000 0.000 0.229 244 L C 0.158 177.323 176.870 0.492 0.000 1.137 244 L CA -0.148 54.880 54.840 0.313 0.000 0.901 244 L CB 0.071 42.314 42.059 0.307 0.000 1.098 244 L HN 0.258 nan 8.230 nan 0.000 0.456 245 W N -0.105 121.286 121.300 0.151 0.000 3.107 245 W HA 0.445 5.105 4.660 -0.000 0.000 0.331 245 W C 0.355 176.877 176.519 0.005 0.000 1.204 245 W CA 0.226 57.615 57.345 0.074 0.000 1.184 245 W CB 1.646 31.137 29.460 0.053 0.000 1.421 245 W HN 0.072 nan 8.180 nan 0.000 0.544 246 G N 3.365 111.372 108.800 -1.322 0.000 2.562 246 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.250 246 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.250 246 G C -0.438 174.182 174.900 -0.467 0.000 1.269 246 G CA 0.334 44.959 45.100 -0.792 0.000 0.919 246 G HN 0.496 nan 8.290 nan 0.000 0.574 247 D N 1.637 121.901 120.400 -0.226 0.000 2.688 247 D HA 0.487 5.127 4.640 -0.000 0.000 0.228 247 D C 0.019 176.281 176.300 -0.064 0.000 1.116 247 D CA 0.644 54.577 54.000 -0.112 0.000 1.023 247 D CB 0.289 41.196 40.800 0.178 0.000 1.100 247 D HN 0.413 nan 8.370 nan 0.000 0.487 248 S N 0.763 116.235 115.700 -0.379 0.000 2.561 248 S HA 0.582 5.052 4.470 -0.000 0.000 0.303 248 S C -0.682 173.711 174.600 -0.345 0.000 1.110 248 S CA -0.615 57.551 58.200 -0.056 0.000 1.034 248 S CB 0.893 64.161 63.200 0.114 0.000 1.010 248 S HN 0.100 nan 8.310 nan 0.000 0.482 249 F N 2.388 122.454 119.950 0.193 0.000 2.551 249 F HA 0.585 5.112 4.527 -0.000 0.000 0.316 249 F C -0.577 175.243 175.800 0.033 0.000 1.089 249 F CA -1.007 57.042 58.000 0.082 0.000 0.915 249 F CB 1.339 40.331 39.000 -0.013 0.000 1.186 249 F HN 0.510 nan 8.300 nan 0.000 0.456 250 F N 3.677 123.511 119.950 -0.195 0.000 2.403 250 F HA 0.422 4.949 4.527 -0.000 0.000 0.355 250 F C -0.426 175.203 175.800 -0.285 0.000 1.119 250 F CA -0.830 56.814 58.000 -0.593 0.000 1.007 250 F CB 0.611 38.970 39.000 -1.068 0.000 1.194 250 F HN 0.375 nan 8.300 nan 0.000 0.443 251 N N 8.218 126.478 118.700 -0.733 0.000 2.406 251 N HA 0.247 4.987 4.740 -0.000 0.000 0.251 251 N C -2.074 172.933 175.510 -0.838 0.000 1.069 251 N CA -2.074 50.641 53.050 -0.557 0.000 0.947 251 N CB 1.654 39.929 38.487 -0.354 0.000 1.111 251 N HN 0.335 nan 8.380 nan 0.000 0.497 252 P HA -0.091 nan 4.420 nan 0.000 0.218 252 P C 0.768 177.910 177.300 -0.264 0.000 1.148 252 P CA 1.369 64.253 63.100 -0.360 0.000 0.822 252 P CB 0.431 32.076 31.700 -0.092 0.000 0.784 253 K N -0.937 119.325 120.400 -0.231 0.000 2.097 253 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 253 K C 1.958 178.463 176.600 -0.157 0.000 1.050 253 K CA 2.014 58.208 56.287 -0.156 0.000 0.938 253 K CB -0.670 31.752 32.500 -0.129 0.000 0.718 253 K HN 0.306 nan 8.250 nan 0.000 0.442 254 T N -2.237 112.185 114.554 -0.220 0.000 3.037 254 T HA 0.115 4.464 4.350 -0.000 0.000 0.251 254 T C 0.537 175.128 174.700 -0.183 0.000 1.079 254 T CA -0.176 61.822 62.100 -0.170 0.000 1.067 254 T CB 0.265 69.039 68.868 -0.156 0.000 0.948 254 T HN -0.051 nan 8.240 nan 0.000 0.496 255 K N 0.435 120.619 120.400 -0.361 0.000 3.281 255 K HA -0.110 4.210 4.320 -0.000 0.000 0.295 255 K C -0.475 176.027 176.600 -0.163 0.000 1.233 255 K CA 0.807 56.916 56.287 -0.295 0.000 0.866 255 K CB -1.890 30.633 32.500 0.037 0.000 1.265 255 K HN 0.577 nan 8.250 nan 0.000 0.482 256 K N -0.591 119.609 120.400 -0.334 0.000 2.267 256 K HA 0.462 4.782 4.320 -0.000 0.000 0.246 256 K C -0.423 176.123 176.600 -0.090 0.000 0.954 256 K CA -0.764 55.500 56.287 -0.039 0.000 0.824 256 K CB 0.970 33.485 32.500 0.025 0.000 1.167 256 K HN -0.059 nan 8.250 nan 0.000 0.431 257 W N 1.015 122.437 121.300 0.202 0.000 2.361 257 W HA 0.360 5.019 4.660 -0.000 0.000 0.309 257 W C 0.513 177.118 176.519 0.144 0.000 1.122 257 W CA -0.160 57.321 57.345 0.225 0.000 1.208 257 W CB 1.682 31.267 29.460 0.208 0.000 1.246 257 W HN 0.407 nan 8.180 nan 0.000 0.490 258 T N 1.380 116.145 114.554 0.351 0.000 2.838 258 T HA 0.325 4.675 4.350 -0.000 0.000 0.292 258 T C 0.264 175.165 174.700 0.336 0.000 1.113 258 T CA -0.718 61.531 62.100 0.250 0.000 1.008 258 T CB 1.113 70.049 68.868 0.114 0.000 1.259 258 T HN 0.391 nan 8.240 nan 0.000 0.520 259 N N 0.923 119.764 118.700 0.235 0.000 2.187 259 N HA 0.204 4.944 4.740 -0.000 0.000 0.212 259 N C -0.490 175.109 175.510 0.149 0.000 1.152 259 N CA -0.035 53.184 53.050 0.282 0.000 0.872 259 N CB 0.633 39.225 38.487 0.176 0.000 1.025 259 N HN 0.418 nan 8.380 nan 0.000 0.514 260 K N 1.468 121.831 120.400 -0.062 0.000 2.211 260 K HA 0.078 4.397 4.320 -0.000 0.000 0.275 260 K C -0.026 176.065 176.600 -0.849 0.000 1.024 260 K CA -0.417 55.693 56.287 -0.295 0.000 0.887 260 K CB 1.124 33.511 32.500 -0.188 0.000 1.084 260 K HN 0.036 nan 8.250 nan 0.000 0.463 261 D N 0.786 120.593 120.400 -0.988 0.000 2.338 261 D HA -0.076 4.564 4.640 -0.000 0.000 0.239 261 D C 0.114 176.037 176.300 -0.629 0.000 1.095 261 D CA 0.051 53.253 54.000 -1.329 0.000 0.888 261 D CB 0.029 40.416 40.800 -0.690 0.000 0.899 261 D HN 0.425 nan 8.370 nan 0.000 0.525 262 T N -3.172 111.116 114.554 -0.443 0.000 2.883 262 T HA 0.487 4.837 4.350 -0.000 0.000 0.301 262 T C -0.735 173.839 174.700 -0.210 0.000 1.158 262 T CA -1.045 60.900 62.100 -0.260 0.000 1.007 262 T CB 2.325 71.085 68.868 -0.179 0.000 1.186 262 T HN 0.020 nan 8.240 nan 0.000 0.499 263 D N 0.826 121.132 120.400 -0.156 0.000 2.506 263 D HA 0.590 5.230 4.640 -0.000 0.000 0.272 263 D C 1.816 178.057 176.300 -0.098 0.000 1.214 263 D CA -0.323 53.602 54.000 -0.126 0.000 1.067 263 D CB 0.048 40.779 40.800 -0.115 0.000 1.117 263 D HN 0.701 nan 8.370 nan 0.000 0.578 264 A N -0.259 122.513 122.820 -0.080 0.000 1.892 264 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 264 A C 1.845 179.394 177.584 -0.059 0.000 1.188 264 A CA 1.932 53.932 52.037 -0.063 0.000 0.631 264 A CB -1.011 17.958 19.000 -0.052 0.000 0.822 264 A HN 0.595 nan 8.150 nan 0.000 0.447 265 E N -1.468 118.695 120.200 -0.061 0.000 2.409 265 E HA 0.230 4.580 4.350 -0.000 0.000 0.198 265 E C 1.348 177.913 176.600 -0.059 0.000 1.024 265 E CA 0.907 57.274 56.400 -0.055 0.000 0.861 265 E CB -0.346 29.322 29.700 -0.053 0.000 0.788 265 E HN 0.897 nan 8.360 nan 0.000 0.521 266 G N 0.441 109.198 108.800 -0.072 0.000 2.157 266 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.239 266 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.239 266 G C 0.036 174.886 174.900 -0.083 0.000 0.982 266 G CA 0.104 45.158 45.100 -0.077 0.000 0.650 266 G HN 0.256 nan 8.290 nan 0.000 0.527 267 K N 0.977 121.326 120.400 -0.084 0.000 2.295 267 K HA 0.397 4.717 4.320 -0.000 0.000 0.270 267 K C -2.476 174.061 176.600 -0.104 0.000 1.011 267 K CA -1.561 54.676 56.287 -0.083 0.000 0.953 267 K CB 0.632 33.086 32.500 -0.077 0.000 0.956 267 K HN 0.027 nan 8.250 nan 0.000 0.477 268 P HA 0.029 nan 4.420 nan 0.000 0.266 268 P C -0.884 176.355 177.300 -0.101 0.000 1.215 268 P CA 0.288 63.326 63.100 -0.103 0.000 0.763 268 P CB 0.420 32.075 31.700 -0.075 0.000 0.806 269 L N 2.831 123.977 121.223 -0.128 0.000 2.295 269 L HA 0.366 4.706 4.340 -0.000 0.000 0.285 269 L C 0.934 177.880 176.870 0.128 0.000 1.035 269 L CA -0.719 54.089 54.840 -0.053 0.000 0.806 269 L CB 1.353 43.334 42.059 -0.130 0.000 1.214 269 L HN 0.353 nan 8.230 nan 0.000 0.426 270 E N 4.457 124.707 120.200 0.083 0.000 2.259 270 E HA 0.092 4.442 4.350 -0.000 0.000 0.281 270 E C -0.041 176.589 176.600 0.051 0.000 1.037 270 E CA -0.696 55.727 56.400 0.038 0.000 0.854 270 E CB 0.899 30.539 29.700 -0.101 0.000 1.051 270 E HN 0.405 nan 8.360 nan 0.000 0.409 271 R N 3.495 123.937 120.500 -0.098 0.000 2.537 271 R HA -0.066 4.273 4.340 -0.000 0.000 0.281 271 R C 0.778 176.891 176.300 -0.311 0.000 0.988 271 R CA 0.723 56.510 56.100 -0.523 0.000 1.077 271 R CB 0.516 30.526 30.300 -0.483 0.000 0.932 271 R HN 0.746 nan 8.270 nan 0.000 0.409 272 A N 5.535 128.203 122.820 -0.254 0.000 1.948 272 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 272 A C 1.769 179.411 177.584 0.098 0.000 1.177 272 A CA 1.566 53.640 52.037 0.062 0.000 0.636 272 A CB -0.661 18.556 19.000 0.361 0.000 0.815 272 A HN 0.908 nan 8.150 nan 0.000 0.449 273 F N 1.453 121.343 119.950 -0.100 0.000 2.134 273 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 273 F C 1.919 177.650 175.800 -0.115 0.000 1.097 273 F CA 2.151 60.122 58.000 -0.049 0.000 1.264 273 F CB -0.313 38.634 39.000 -0.087 0.000 1.001 273 F HN 0.245 nan 8.300 nan 0.000 0.479 274 N N 0.030 118.624 118.700 -0.177 0.000 2.142 274 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 274 N C 1.982 177.264 175.510 -0.380 0.000 1.023 274 N CA 1.682 54.547 53.050 -0.308 0.000 0.852 274 N CB -0.556 37.784 38.487 -0.244 0.000 0.998 274 N HN 0.412 nan 8.380 nan 0.000 0.424 275 M N -1.154 118.215 119.600 -0.385 0.000 2.200 275 M HA -0.008 4.472 4.480 -0.000 0.000 0.265 275 M C 0.508 176.429 176.300 -0.632 0.000 1.066 275 M CA 1.506 56.474 55.300 -0.554 0.000 1.127 275 M CB 0.112 32.271 32.600 -0.735 0.000 1.379 275 M HN 0.001 nan 8.290 nan 0.000 0.420 276 F N -1.045 118.801 119.950 -0.173 0.000 2.694 276 F HA 0.258 4.785 4.527 -0.000 0.000 0.292 276 F C 1.639 177.339 175.800 -0.168 0.000 1.121 276 F CA 0.301 58.220 58.000 -0.134 0.000 1.352 276 F CB 0.097 39.045 39.000 -0.087 0.000 1.107 276 F HN 0.032 nan 8.300 nan 0.000 0.597 277 I N -1.291 119.071 120.570 -0.347 0.000 3.194 277 I HA -0.047 4.122 4.170 -0.000 0.000 0.271 277 I C 1.904 177.643 176.117 -0.630 0.000 1.150 277 I CA 0.465 61.239 61.300 -0.877 0.000 1.440 277 I CB -0.026 37.177 38.000 -1.329 0.000 1.276 277 I HN -0.060 nan 8.210 nan 0.000 0.457 278 L N 0.506 121.383 121.223 -0.576 0.000 2.044 278 L HA -0.172 4.168 4.340 -0.000 0.000 0.205 278 L C 2.113 178.911 176.870 -0.120 0.000 1.075 278 L CA 1.550 56.217 54.840 -0.288 0.000 0.747 278 L CB -0.573 41.252 42.059 -0.391 0.000 0.903 278 L HN 0.245 nan 8.230 nan 0.000 0.435 279 D N -0.005 120.247 120.400 -0.247 0.000 2.116 279 D HA -0.163 4.477 4.640 -0.000 0.000 0.193 279 D C -0.694 175.622 176.300 0.026 0.000 0.998 279 D CA 1.549 55.462 54.000 -0.145 0.000 0.836 279 D CB -0.609 40.073 40.800 -0.196 0.000 0.951 279 D HN 0.110 nan 8.370 nan 0.000 0.449 280 P HA -0.094 nan 4.420 nan 0.000 0.216 280 P C 1.394 178.780 177.300 0.143 0.000 1.150 280 P CA 1.042 64.205 63.100 0.104 0.000 0.837 280 P CB 0.023 31.847 31.700 0.206 0.000 0.786 281 I N -2.615 118.065 120.570 0.183 0.000 2.202 281 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 281 I C 2.061 178.241 176.117 0.105 0.000 1.091 281 I CA 1.296 62.690 61.300 0.158 0.000 1.368 281 I CB -0.581 37.450 38.000 0.052 0.000 1.058 281 I HN -0.149 nan 8.210 nan 0.000 0.410 282 F N 1.284 121.173 119.950 -0.102 0.000 2.126 282 F HA -0.190 4.336 4.527 -0.000 0.000 0.299 282 F C 2.705 178.518 175.800 0.022 0.000 1.096 282 F CA 1.518 59.468 58.000 -0.083 0.000 1.255 282 F CB -0.608 38.345 39.000 -0.080 0.000 0.997 282 F HN -0.091 nan 8.300 nan 0.000 0.479 283 R N -0.190 120.432 120.500 0.202 0.000 2.096 283 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 283 R C 2.251 178.605 176.300 0.090 0.000 1.127 283 R CA 1.147 57.316 56.100 0.115 0.000 0.968 283 R CB -0.621 29.717 30.300 0.063 0.000 0.861 283 R HN 0.328 nan 8.270 nan 0.000 0.440 284 L N -0.550 120.738 121.223 0.108 0.000 2.027 284 L HA -0.168 4.171 4.340 -0.000 0.000 0.206 284 L C 2.148 179.079 176.870 0.102 0.000 1.074 284 L CA 1.442 56.325 54.840 0.071 0.000 0.745 284 L CB -0.379 41.723 42.059 0.071 0.000 0.898 284 L HN 0.140 nan 8.230 nan 0.000 0.433 285 F N -0.077 119.816 119.950 -0.096 0.000 2.051 285 F HA -0.275 4.251 4.527 -0.000 0.000 0.296 285 F C 2.696 178.436 175.800 -0.102 0.000 1.122 285 F CA 1.768 59.700 58.000 -0.114 0.000 1.201 285 F CB -0.606 38.305 39.000 -0.149 0.000 0.978 285 F HN 0.012 nan 8.300 nan 0.000 0.472 286 T N -0.146 114.493 114.554 0.142 0.000 2.720 286 T HA -0.245 4.104 4.350 -0.000 0.000 0.268 286 T C 2.064 176.766 174.700 0.003 0.000 1.037 286 T CA 1.300 63.438 62.100 0.064 0.000 1.144 286 T CB -0.593 68.324 68.868 0.081 0.000 0.864 286 T HN 0.340 nan 8.240 nan 0.000 0.444 287 A N 0.834 123.649 122.820 -0.008 0.000 1.897 287 A HA 0.091 4.411 4.320 -0.000 0.000 0.215 287 A C 2.292 179.804 177.584 -0.121 0.000 1.181 287 A CA 0.935 52.946 52.037 -0.043 0.000 0.620 287 A CB -0.593 18.389 19.000 -0.031 0.000 0.821 287 A HN 0.505 nan 8.150 nan 0.000 0.443 288 I N -0.648 119.821 120.570 -0.167 0.000 2.286 288 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 288 I C 2.250 178.074 176.117 -0.488 0.000 1.104 288 I CA 0.982 62.110 61.300 -0.286 0.000 1.397 288 I CB -0.269 37.570 38.000 -0.268 0.000 1.072 288 I HN 0.232 nan 8.210 nan 0.000 0.417 289 M N -0.025 119.352 119.600 -0.373 0.000 2.476 289 M HA -0.053 4.426 4.480 -0.000 0.000 0.262 289 M C 1.048 177.122 176.300 -0.376 0.000 1.079 289 M CA 1.228 56.287 55.300 -0.403 0.000 1.104 289 M CB -1.025 31.467 32.600 -0.180 0.000 1.409 289 M HN 0.240 nan 8.290 nan 0.000 0.467 290 N N -0.296 118.262 118.700 -0.237 0.000 2.214 290 N HA 0.110 4.850 4.740 -0.000 0.000 0.214 290 N C -0.358 175.228 175.510 0.128 0.000 1.132 290 N CA -0.010 53.047 53.050 0.010 0.000 0.856 290 N CB 0.278 38.791 38.487 0.042 0.000 1.020 290 N HN 0.209 nan 8.380 nan 0.000 0.509 291 F N 0.458 120.402 119.950 -0.009 0.000 3.100 291 F HA -0.262 4.264 4.527 -0.000 0.000 0.283 291 F C 0.220 176.016 175.800 -0.007 0.000 0.900 291 F CA 0.476 58.469 58.000 -0.011 0.000 1.010 291 F CB -2.154 36.840 39.000 -0.009 0.000 1.029 291 F HN -0.078 nan 8.300 nan 0.000 0.637 292 K N 1.418 121.854 120.400 0.059 0.000 2.199 292 K HA 0.019 4.339 4.320 -0.000 0.000 0.226 292 K C 1.351 177.970 176.600 0.032 0.000 1.237 292 K CA 0.144 56.459 56.287 0.047 0.000 1.170 292 K CB -0.065 32.447 32.500 0.019 0.000 1.418 292 K HN 0.517 nan 8.250 nan 0.000 0.255 293 K N -0.203 120.232 120.400 0.057 0.000 2.520 293 K HA -0.172 4.148 4.320 -0.000 0.000 0.197 293 K C 0.133 176.745 176.600 0.020 0.000 1.044 293 K CA 1.267 57.578 56.287 0.041 0.000 0.938 293 K CB 0.185 32.720 32.500 0.059 0.000 0.767 293 K HN 0.228 nan 8.250 nan 0.000 0.481 294 D N 0.830 121.241 120.400 0.017 0.000 2.407 294 D HA 0.023 4.663 4.640 -0.000 0.000 0.208 294 D C 0.916 177.217 176.300 0.002 0.000 1.083 294 D CA 0.346 54.352 54.000 0.009 0.000 0.844 294 D CB 0.562 41.368 40.800 0.011 0.000 0.967 294 D HN 0.417 nan 8.370 nan 0.000 0.506 295 E N -0.046 120.154 120.200 0.000 0.000 2.389 295 E HA 0.162 4.512 4.350 -0.000 0.000 0.199 295 E C 1.967 178.556 176.600 -0.019 0.000 0.978 295 E CA -0.055 56.340 56.400 -0.007 0.000 0.912 295 E CB 0.841 30.540 29.700 -0.003 0.000 0.907 295 E HN 0.175 nan 8.360 nan 0.000 0.494 296 I N 1.557 122.113 120.570 -0.023 0.000 2.233 296 I HA -0.130 4.040 4.170 -0.000 0.000 0.243 296 I C -0.806 175.288 176.117 -0.039 0.000 1.093 296 I CA 0.880 62.157 61.300 -0.039 0.000 1.380 296 I CB -1.078 36.894 38.000 -0.046 0.000 1.067 296 I HN 0.014 nan 8.210 nan 0.000 0.413 297 P HA -0.125 nan 4.420 nan 0.000 0.215 297 P C 1.970 179.253 177.300 -0.028 0.000 1.153 297 P CA 1.217 64.302 63.100 -0.025 0.000 0.853 297 P CB 0.058 31.750 31.700 -0.015 0.000 0.788 298 V N -0.655 119.244 119.914 -0.025 0.000 2.270 298 V HA -0.208 3.911 4.120 -0.000 0.000 0.245 298 V C 2.381 178.455 176.094 -0.035 0.000 1.043 298 V CA 1.485 63.770 62.300 -0.024 0.000 1.014 298 V CB -1.274 30.539 31.823 -0.017 0.000 0.645 298 V HN 0.036 nan 8.190 nan 0.000 0.447 299 L N -0.534 120.664 121.223 -0.042 0.000 2.013 299 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 299 L C 2.184 178.999 176.870 -0.091 0.000 1.073 299 L CA 1.961 56.766 54.840 -0.059 0.000 0.753 299 L CB -0.700 41.324 42.059 -0.058 0.000 0.890 299 L HN 0.188 nan 8.230 nan 0.000 0.432 300 L N -0.663 120.507 121.223 -0.089 0.000 2.083 300 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 300 L C 2.539 179.361 176.870 -0.080 0.000 1.083 300 L CA 1.730 56.507 54.840 -0.104 0.000 0.752 300 L CB -0.881 41.132 42.059 -0.078 0.000 0.899 300 L HN 0.419 nan 8.230 nan 0.000 0.433 301 E N -0.256 119.912 120.200 -0.052 0.000 2.047 301 E HA -0.231 4.118 4.350 -0.000 0.000 0.191 301 E C 2.111 178.691 176.600 -0.033 0.000 0.987 301 E CA 1.127 57.506 56.400 -0.035 0.000 0.799 301 E CB 0.088 29.773 29.700 -0.024 0.000 0.752 301 E HN 0.389 nan 8.360 nan 0.000 0.449 302 K N 0.041 120.419 120.400 -0.037 0.000 2.097 302 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 302 K C 1.899 178.485 176.600 -0.023 0.000 1.049 302 K CA 0.955 57.227 56.287 -0.023 0.000 0.933 302 K CB -0.029 32.459 32.500 -0.021 0.000 0.717 302 K HN 0.245 nan 8.250 nan 0.000 0.442 303 L N 0.906 122.083 121.223 -0.076 0.000 2.591 303 L HA 0.039 4.379 4.340 -0.000 0.000 0.228 303 L C -0.318 176.513 176.870 -0.064 0.000 1.133 303 L CA 0.127 54.899 54.840 -0.114 0.000 0.880 303 L CB -0.276 41.556 42.059 -0.378 0.000 1.033 303 L HN 0.222 nan 8.230 nan 0.000 0.450 304 E N 0.954 121.132 120.200 -0.036 0.000 2.320 304 E HA -0.207 4.143 4.350 -0.000 0.000 0.234 304 E C -0.377 176.217 176.600 -0.010 0.000 1.183 304 E CA 0.158 56.553 56.400 -0.009 0.000 0.713 304 E CB -1.076 28.636 29.700 0.020 0.000 1.226 304 E HN 0.265 nan 8.360 nan 0.000 0.382 305 I N 1.236 121.782 120.570 -0.041 0.000 2.377 305 I HA 0.271 4.441 4.170 -0.000 0.000 0.293 305 I C 0.711 176.818 176.117 -0.017 0.000 0.987 305 I CA -0.846 60.438 61.300 -0.027 0.000 1.185 305 I CB 1.401 39.358 38.000 -0.072 0.000 1.341 305 I HN -0.023 nan 8.210 nan 0.000 0.455 306 V N 5.493 125.408 119.914 0.001 0.000 2.378 306 V HA 0.560 4.680 4.120 -0.000 0.000 0.288 306 V C -0.311 175.785 176.094 0.004 0.000 1.016 306 V CA -0.776 61.524 62.300 0.001 0.000 0.840 306 V CB 1.482 33.309 31.823 0.007 0.000 0.994 306 V HN 0.474 nan 8.190 nan 0.000 0.431 307 L N 5.587 126.809 121.223 -0.002 0.000 2.305 307 L HA 0.607 4.947 4.340 -0.000 0.000 0.281 307 L C 0.351 177.222 176.870 0.003 0.000 1.085 307 L CA -0.375 54.465 54.840 -0.000 0.000 0.813 307 L CB 1.293 43.349 42.059 -0.006 0.000 1.157 307 L HN 0.874 nan 8.230 nan 0.000 0.436 308 K N 2.113 122.517 120.400 0.006 0.000 2.378 308 K HA 0.785 5.105 4.320 -0.000 0.000 0.252 308 K C 0.295 176.899 176.600 0.007 0.000 0.931 308 K CA -0.268 56.023 56.287 0.007 0.000 0.794 308 K CB 2.155 34.661 32.500 0.009 0.000 1.181 308 K HN 0.640 nan 8.250 nan 0.000 0.425 309 G N 3.217 112.021 108.800 0.006 0.000 2.574 309 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.286 309 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.286 309 G C 0.246 175.150 174.900 0.006 0.000 1.212 309 G CA 0.644 45.747 45.100 0.006 0.000 0.979 309 G HN 0.762 nan 8.290 nan 0.000 0.557 310 D N 1.334 121.738 120.400 0.007 0.000 2.315 310 D HA 0.006 4.646 4.640 -0.000 0.000 0.211 310 D C 2.333 178.637 176.300 0.007 0.000 0.977 310 D CA 1.522 55.526 54.000 0.007 0.000 0.894 310 D CB -0.234 40.571 40.800 0.007 0.000 0.910 310 D HN 0.730 nan 8.370 nan 0.000 0.490 311 E N 0.628 120.832 120.200 0.006 0.000 2.110 311 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 311 E C 1.776 178.377 176.600 0.002 0.000 0.988 311 E CA 0.719 57.122 56.400 0.004 0.000 0.804 311 E CB -0.089 29.613 29.700 0.004 0.000 0.745 311 E HN 0.310 nan 8.360 nan 0.000 0.458 312 K N 0.750 121.151 120.400 0.002 0.000 2.286 312 K HA -0.167 4.153 4.320 -0.000 0.000 0.203 312 K C 1.174 177.777 176.600 0.006 0.000 1.045 312 K CA 1.188 57.476 56.287 0.002 0.000 0.935 312 K CB 0.011 32.512 32.500 0.003 0.000 0.737 312 K HN 0.150 nan 8.250 nan 0.000 0.460 313 D N 0.421 120.826 120.400 0.009 0.000 2.327 313 D HA 0.040 4.679 4.640 -0.000 0.000 0.205 313 D C 0.725 177.038 176.300 0.022 0.000 0.989 313 D CA 0.237 54.246 54.000 0.015 0.000 0.873 313 D CB 0.129 40.937 40.800 0.014 0.000 0.955 313 D HN 0.097 nan 8.370 nan 0.000 0.515 314 L N 1.189 122.421 121.223 0.015 0.000 2.492 314 L HA 0.069 4.408 4.340 -0.000 0.000 0.280 314 L C 0.772 177.657 176.870 0.026 0.000 1.240 314 L CA 0.703 55.553 54.840 0.017 0.000 0.831 314 L CB 0.317 42.375 42.059 -0.002 0.000 1.100 314 L HN -0.130 nan 8.230 nan 0.000 0.505 315 E N -0.296 119.933 120.200 0.047 0.000 2.458 315 E HA 0.529 4.879 4.350 -0.000 0.000 0.278 315 E C 0.003 176.604 176.600 0.002 0.000 1.004 315 E CA -0.416 56.027 56.400 0.072 0.000 0.823 315 E CB 1.678 31.561 29.700 0.306 0.000 1.396 315 E HN 0.723 nan 8.360 nan 0.000 0.463 316 G N 1.126 109.789 108.800 -0.228 0.000 2.581 316 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.291 316 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.291 316 G C 0.593 175.367 174.900 -0.210 0.000 1.277 316 G CA 0.779 45.701 45.100 -0.297 0.000 0.959 316 G HN 0.579 nan 8.290 nan 0.000 0.554 317 K N 0.199 120.508 120.400 -0.151 0.000 2.074 317 K HA -0.060 4.260 4.320 -0.000 0.000 0.209 317 K C 3.117 179.634 176.600 -0.138 0.000 1.048 317 K CA 2.054 58.237 56.287 -0.174 0.000 0.926 317 K CB -0.443 31.970 32.500 -0.144 0.000 0.713 317 K HN 0.732 nan 8.250 nan 0.000 0.444 318 A N 1.487 124.261 122.820 -0.078 0.000 1.883 318 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 318 A C 2.142 179.690 177.584 -0.060 0.000 1.186 318 A CA 1.474 53.481 52.037 -0.049 0.000 0.624 318 A CB -0.573 18.418 19.000 -0.015 0.000 0.822 318 A HN 0.259 nan 8.150 nan 0.000 0.444 319 L N -0.984 120.193 121.223 -0.078 0.000 2.056 319 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 319 L C 2.245 179.045 176.870 -0.117 0.000 1.078 319 L CA 1.942 56.732 54.840 -0.084 0.000 0.749 319 L CB -0.672 41.329 42.059 -0.096 0.000 0.901 319 L HN 0.354 nan 8.230 nan 0.000 0.433 320 L N -0.073 121.039 121.223 -0.185 0.000 1.970 320 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 320 L C 2.526 179.295 176.870 -0.168 0.000 1.071 320 L CA 2.011 56.696 54.840 -0.259 0.000 0.751 320 L CB -0.737 41.068 42.059 -0.423 0.000 0.889 320 L HN 0.256 nan 8.230 nan 0.000 0.432 321 K N -1.170 119.159 120.400 -0.117 0.000 2.044 321 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 321 K C 1.920 178.538 176.600 0.030 0.000 1.049 321 K CA 1.886 58.167 56.287 -0.011 0.000 0.927 321 K CB -0.549 31.943 32.500 -0.013 0.000 0.713 321 K HN 0.283 nan 8.250 nan 0.000 0.443 322 V N 0.854 120.768 119.914 0.000 0.000 2.427 322 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 322 V C 2.224 178.335 176.094 0.027 0.000 1.051 322 V CA 1.342 63.653 62.300 0.019 0.000 1.048 322 V CB -0.154 31.671 31.823 0.004 0.000 0.666 322 V HN 0.109 nan 8.190 nan 0.000 0.456 323 V N -0.623 119.289 119.914 -0.005 0.000 2.379 323 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 323 V C 2.435 178.572 176.094 0.071 0.000 1.044 323 V CA 1.674 63.976 62.300 0.004 0.000 1.036 323 V CB -0.442 31.348 31.823 -0.056 0.000 0.664 323 V HN 0.410 nan 8.190 nan 0.000 0.453 324 M N -0.658 118.973 119.600 0.051 0.000 2.229 324 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 324 M C 2.279 178.706 176.300 0.212 0.000 1.063 324 M CA 1.528 56.882 55.300 0.089 0.000 1.114 324 M CB -1.077 31.431 32.600 -0.154 0.000 1.387 324 M HN 0.290 nan 8.290 nan 0.000 0.420 325 R N 0.177 120.795 120.500 0.197 0.000 2.092 325 R HA -0.100 4.239 4.340 -0.000 0.000 0.231 325 R C 2.219 178.612 176.300 0.156 0.000 1.119 325 R CA 1.131 57.347 56.100 0.193 0.000 0.970 325 R CB -0.095 30.291 30.300 0.143 0.000 0.864 325 R HN 0.381 nan 8.270 nan 0.000 0.440 326 K N -0.441 120.045 120.400 0.143 0.000 2.116 326 K HA -0.083 4.236 4.320 -0.000 0.000 0.203 326 K C 1.802 178.516 176.600 0.190 0.000 1.052 326 K CA 0.897 57.263 56.287 0.131 0.000 0.952 326 K CB -0.121 32.438 32.500 0.098 0.000 0.729 326 K HN 0.039 nan 8.250 nan 0.000 0.446 327 F N 1.096 121.061 119.950 0.026 0.000 2.146 327 F HA 0.038 4.565 4.527 -0.000 0.000 0.298 327 F C 0.443 176.254 175.800 0.020 0.000 1.096 327 F CA 1.070 59.075 58.000 0.008 0.000 1.275 327 F CB 0.231 39.228 39.000 -0.004 0.000 1.008 327 F HN -0.185 nan 8.300 nan 0.000 0.480 328 L N 1.309 122.524 121.223 -0.014 0.000 2.448 328 L HA 0.302 4.642 4.340 -0.000 0.000 0.257 328 L C -2.593 174.364 176.870 0.145 0.000 1.504 328 L CA -1.731 53.070 54.840 -0.066 0.000 0.852 328 L CB 1.128 43.102 42.059 -0.141 0.000 1.051 328 L HN -0.210 nan 8.230 nan 0.000 0.518 329 P HA -0.027 nan 4.420 nan 0.000 0.254 329 P C 1.049 178.418 177.300 0.115 0.000 1.186 329 P CA 0.313 63.486 63.100 0.121 0.000 0.868 329 P CB 1.066 32.813 31.700 0.077 0.000 0.856 330 A N 5.933 128.738 122.820 -0.025 0.000 1.893 330 A HA -0.348 3.971 4.320 -0.000 0.000 0.222 330 A C 2.277 179.817 177.584 -0.073 0.000 1.309 330 A CA 2.893 54.852 52.037 -0.130 0.000 0.681 330 A CB -1.724 17.167 19.000 -0.181 0.000 0.842 330 A HN 0.479 nan 8.150 nan 0.000 0.468 331 A N -0.630 122.167 122.820 -0.039 0.000 1.940 331 A HA -0.338 3.982 4.320 -0.000 0.000 0.221 331 A C 1.730 179.299 177.584 -0.025 0.000 1.190 331 A CA 2.544 54.564 52.037 -0.028 0.000 0.647 331 A CB -0.991 18.006 19.000 -0.004 0.000 0.821 331 A HN 0.576 nan 8.150 nan 0.000 0.457 332 D N -0.329 120.069 120.400 -0.003 0.000 2.123 332 D HA -0.053 4.587 4.640 -0.000 0.000 0.196 332 D C 2.252 178.539 176.300 -0.020 0.000 0.992 332 D CA 1.635 55.635 54.000 0.000 0.000 0.833 332 D CB -0.457 40.361 40.800 0.030 0.000 0.954 332 D HN 0.481 nan 8.370 nan 0.000 0.455 333 A N 0.454 123.253 122.820 -0.035 0.000 1.873 333 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 333 A C 2.366 179.892 177.584 -0.095 0.000 1.186 333 A CA 0.987 52.980 52.037 -0.075 0.000 0.616 333 A CB -0.778 18.137 19.000 -0.141 0.000 0.823 333 A HN 0.212 nan 8.150 nan 0.000 0.442 334 L N -0.671 120.492 121.223 -0.100 0.000 2.017 334 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 334 L C 2.578 179.399 176.870 -0.080 0.000 1.073 334 L CA 1.201 55.982 54.840 -0.099 0.000 0.745 334 L CB -0.793 41.210 42.059 -0.092 0.000 0.894 334 L HN 0.336 nan 8.230 nan 0.000 0.432 335 L N -0.245 120.938 121.223 -0.067 0.000 2.079 335 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 335 L C 2.685 179.492 176.870 -0.105 0.000 1.081 335 L CA 1.253 56.048 54.840 -0.074 0.000 0.752 335 L CB -0.530 41.496 42.059 -0.055 0.000 0.896 335 L HN 0.363 nan 8.230 nan 0.000 0.433 336 E N 0.356 120.504 120.200 -0.087 0.000 2.051 336 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 336 E C 2.328 178.876 176.600 -0.087 0.000 0.991 336 E CA 1.366 57.709 56.400 -0.095 0.000 0.799 336 E CB -0.018 29.652 29.700 -0.050 0.000 0.748 336 E HN 0.460 nan 8.360 nan 0.000 0.449 337 M N 0.118 119.694 119.600 -0.040 0.000 2.175 337 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 337 M C 2.303 178.599 176.300 -0.007 0.000 1.063 337 M CA 1.037 56.366 55.300 0.048 0.000 1.119 337 M CB -0.166 32.420 32.600 -0.024 0.000 1.377 337 M HN 0.175 nan 8.290 nan 0.000 0.415 338 I N -0.472 120.055 120.570 -0.071 0.000 2.142 338 I HA -0.255 3.914 4.170 -0.000 0.000 0.240 338 I C 2.339 178.367 176.117 -0.149 0.000 1.078 338 I CA 1.167 62.416 61.300 -0.084 0.000 1.343 338 I CB -0.395 37.558 38.000 -0.078 0.000 1.046 338 I HN 0.046 nan 8.210 nan 0.000 0.405 339 V N 0.917 120.680 119.914 -0.252 0.000 2.307 339 V HA -0.241 3.878 4.120 -0.000 0.000 0.245 339 V C 2.294 178.126 176.094 -0.437 0.000 1.045 339 V CA 1.656 63.676 62.300 -0.466 0.000 1.024 339 V CB -0.441 30.948 31.823 -0.722 0.000 0.651 339 V HN 0.356 nan 8.190 nan 0.000 0.449 340 L N -1.057 119.926 121.223 -0.400 0.000 2.217 340 L HA -0.071 4.268 4.340 -0.000 0.000 0.211 340 L C 2.399 178.896 176.870 -0.622 0.000 1.107 340 L CA 1.209 55.740 54.840 -0.515 0.000 0.783 340 L CB -0.507 41.182 42.059 -0.617 0.000 0.919 340 L HN 0.482 nan 8.230 nan 0.000 0.442 341 H N -1.394 117.609 119.070 -0.111 0.000 2.657 341 H HA 0.290 4.846 4.556 -0.000 0.000 0.262 341 H C 0.848 176.141 175.328 -0.059 0.000 0.965 341 H CA -0.273 55.728 56.048 -0.077 0.000 1.184 341 H CB 0.545 30.260 29.762 -0.079 0.000 1.443 341 H HN 0.115 nan 8.280 nan 0.000 0.462 342 L N 4.709 125.952 121.223 0.033 0.000 2.426 342 L HA 0.136 4.476 4.340 -0.000 0.000 0.271 342 L C -1.903 174.974 176.870 0.011 0.000 1.169 342 L CA -1.613 53.238 54.840 0.018 0.000 0.836 342 L CB 0.396 42.454 42.059 -0.002 0.000 1.112 342 L HN -0.040 nan 8.230 nan 0.000 0.465 343 P HA 0.088 nan 4.420 nan 0.000 0.274 343 P C -0.494 176.834 177.300 0.047 0.000 1.231 343 P CA -0.416 62.715 63.100 0.053 0.000 0.790 343 P CB 1.391 33.146 31.700 0.093 0.000 0.951 344 S N 2.574 118.304 115.700 0.051 0.000 2.481 344 S HA 0.396 4.866 4.470 -0.000 0.000 0.267 344 S C -1.763 172.861 174.600 0.040 0.000 1.174 344 S CA -0.727 57.503 58.200 0.050 0.000 1.027 344 S CB -0.708 62.528 63.200 0.060 0.000 1.117 344 S HN 0.269 nan 8.310 nan 0.000 0.495 345 P HA 0.294 nan 4.420 nan 0.000 0.223 345 P C 1.577 178.841 177.300 -0.060 0.000 1.148 345 P CA 0.109 63.177 63.100 -0.053 0.000 0.870 345 P CB -0.087 31.569 31.700 -0.073 0.000 0.859 346 V N 0.035 119.922 119.914 -0.044 0.000 2.287 346 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 346 V C 2.224 178.283 176.094 -0.058 0.000 1.053 346 V CA 2.667 64.942 62.300 -0.042 0.000 1.027 346 V CB -1.691 30.118 31.823 -0.023 0.000 0.646 346 V HN 0.189 nan 8.190 nan 0.000 0.447 347 T N 0.212 114.740 114.554 -0.044 0.000 2.737 347 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 347 T C 2.040 176.622 174.700 -0.197 0.000 1.038 347 T CA 1.675 63.756 62.100 -0.031 0.000 1.144 347 T CB -0.404 68.491 68.868 0.044 0.000 0.866 347 T HN 0.565 nan 8.240 nan 0.000 0.434 348 A N 1.431 124.085 122.820 -0.277 0.000 1.897 348 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 348 A C 2.207 179.353 177.584 -0.730 0.000 1.181 348 A CA 1.118 52.745 52.037 -0.683 0.000 0.620 348 A CB -0.607 18.246 19.000 -0.245 0.000 0.821 348 A HN 0.534 nan 8.150 nan 0.000 0.443 349 Q N -0.420 119.200 119.800 -0.301 0.000 2.439 349 Q HA -0.057 4.283 4.340 -0.000 0.000 0.211 349 Q C 2.132 178.016 176.000 -0.193 0.000 0.978 349 Q CA 0.815 56.520 55.803 -0.164 0.000 0.897 349 Q CB -0.356 28.381 28.738 -0.002 0.000 0.956 349 Q HN 0.703 nan 8.270 nan 0.000 0.483 350 A N 0.864 123.530 122.820 -0.256 0.000 1.968 350 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 350 A C 1.491 179.042 177.584 -0.056 0.000 1.169 350 A CA 1.061 53.025 52.037 -0.122 0.000 0.638 350 A CB -0.384 18.582 19.000 -0.056 0.000 0.812 350 A HN 0.590 nan 8.150 nan 0.000 0.446 351 Y N -3.625 116.685 120.300 0.017 0.000 2.481 351 Y HA 0.589 5.139 4.550 -0.000 0.000 0.247 351 Y C 1.604 177.508 175.900 0.007 0.000 1.151 351 Y CA -0.317 57.790 58.100 0.011 0.000 1.238 351 Y CB -0.130 38.338 38.460 0.013 0.000 1.179 351 Y HN 0.085 nan 8.280 nan 0.000 0.524 352 R N 0.143 120.615 120.500 -0.046 0.000 2.307 352 R HA 0.370 4.709 4.340 -0.000 0.000 0.200 352 R C 2.242 178.514 176.300 -0.047 0.000 0.893 352 R CA 0.738 56.842 56.100 0.006 0.000 1.042 352 R CB 0.082 30.351 30.300 -0.053 0.000 1.059 352 R HN 0.359 nan 8.270 nan 0.000 0.530 353 A N 1.677 124.460 122.820 -0.063 0.000 1.881 353 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 353 A C 1.755 179.325 177.584 -0.022 0.000 1.215 353 A CA 1.986 53.981 52.037 -0.069 0.000 0.648 353 A CB -0.525 18.444 19.000 -0.052 0.000 0.832 353 A HN 0.407 nan 8.150 nan 0.000 0.455 354 E N -0.651 119.557 120.200 0.013 0.000 2.085 354 E HA -0.247 4.102 4.350 -0.000 0.000 0.194 354 E C 2.368 178.974 176.600 0.010 0.000 0.994 354 E CA 1.434 57.854 56.400 0.034 0.000 0.801 354 E CB -0.256 29.462 29.700 0.029 0.000 0.743 354 E HN 0.767 nan 8.360 nan 0.000 0.453 355 Q N 0.530 120.325 119.800 -0.008 0.000 2.016 355 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 355 Q C 2.485 178.444 176.000 -0.067 0.000 0.978 355 Q CA 1.027 56.812 55.803 -0.030 0.000 0.833 355 Q CB -0.210 28.517 28.738 -0.019 0.000 0.895 355 Q HN 0.306 nan 8.270 nan 0.000 0.427 356 L N -0.450 120.703 121.223 -0.117 0.000 2.129 356 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 356 L C 0.834 177.646 176.870 -0.097 0.000 1.087 356 L CA 0.686 55.391 54.840 -0.224 0.000 0.757 356 L CB -0.231 41.562 42.059 -0.444 0.000 0.896 356 L HN 0.197 nan 8.230 nan 0.000 0.434 357 Y N 0.709 120.903 120.300 -0.177 0.000 2.335 357 Y HA 0.145 4.695 4.550 -0.000 0.000 0.339 357 Y C 1.242 177.087 175.900 -0.092 0.000 0.987 357 Y CA -1.069 56.960 58.100 -0.119 0.000 1.140 357 Y CB 0.731 39.131 38.460 -0.101 0.000 1.173 357 Y HN -0.036 nan 8.280 nan 0.000 0.486 358 E N 3.318 123.230 120.200 -0.479 0.000 2.106 358 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 358 E C 1.257 177.396 176.600 -0.768 0.000 0.984 358 E CA 0.821 56.946 56.400 -0.460 0.000 0.806 358 E CB -0.234 29.301 29.700 -0.274 0.000 0.750 358 E HN 0.906 nan 8.360 nan 0.000 0.458 359 G N 2.279 110.209 108.800 -1.450 0.000 2.518 359 G HA2 0.028 3.988 3.960 -0.000 0.000 0.284 359 G HA3 0.028 3.988 3.960 -0.000 0.000 0.284 359 G C -2.276 172.351 174.900 -0.456 0.000 1.362 359 G CA -0.689 43.687 45.100 -1.206 0.000 1.065 359 G HN 0.038 nan 8.290 nan 0.000 0.561 360 P HA 0.301 nan 4.420 nan 0.000 0.271 360 P C 0.370 177.737 177.300 0.112 0.000 1.216 360 P CA 0.334 63.440 63.100 0.011 0.000 0.771 360 P CB 1.299 33.031 31.700 0.054 0.000 0.864 361 A N 3.068 125.923 122.820 0.058 0.000 2.067 361 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 361 A C 1.369 178.988 177.584 0.058 0.000 1.158 361 A CA 1.844 53.922 52.037 0.069 0.000 0.661 361 A CB -1.088 17.932 19.000 0.033 0.000 0.801 361 A HN 0.673 nan 8.150 nan 0.000 0.452 362 D N -0.918 119.513 120.400 0.051 0.000 2.360 362 D HA 0.100 4.740 4.640 -0.000 0.000 0.210 362 D C 0.484 176.812 176.300 0.046 0.000 1.047 362 D CA 0.110 54.133 54.000 0.038 0.000 0.854 362 D CB -0.335 40.482 40.800 0.029 0.000 0.936 362 D HN 0.413 nan 8.370 nan 0.000 0.514 363 D N -0.276 120.173 120.400 0.082 0.000 2.449 363 D HA 0.156 4.795 4.640 -0.000 0.000 0.236 363 D C 1.539 177.859 176.300 0.033 0.000 1.149 363 D CA 0.462 54.524 54.000 0.103 0.000 0.878 363 D CB 1.078 42.029 40.800 0.253 0.000 1.198 363 D HN 0.098 nan 8.370 nan 0.000 0.446 364 A N 3.345 126.180 122.820 0.025 0.000 1.972 364 A HA -0.232 4.087 4.320 -0.000 0.000 0.219 364 A C 1.809 179.350 177.584 -0.071 0.000 1.169 364 A CA 1.734 53.763 52.037 -0.013 0.000 0.635 364 A CB -0.632 18.370 19.000 0.003 0.000 0.810 364 A HN 0.774 nan 8.150 nan 0.000 0.446 365 N N -1.105 117.520 118.700 -0.125 0.000 2.250 365 N HA -0.081 4.659 4.740 -0.000 0.000 0.181 365 N C 1.604 176.830 175.510 -0.474 0.000 1.017 365 N CA 1.125 54.000 53.050 -0.292 0.000 0.866 365 N CB -0.591 37.681 38.487 -0.359 0.000 0.985 365 N HN 0.532 nan 8.380 nan 0.000 0.429 366 C N 0.724 119.723 119.300 -0.501 0.000 2.432 366 C HA 0.013 4.472 4.460 -0.000 0.000 0.277 366 C C 2.316 177.204 174.990 -0.169 0.000 1.249 366 C CA 0.496 59.297 59.018 -0.362 0.000 1.725 366 C CB -1.124 26.594 27.740 -0.036 0.000 2.028 366 C HN 0.339 nan 8.230 nan 0.000 0.477 367 I N 1.792 122.300 120.570 -0.104 0.000 2.208 367 I HA -0.141 4.028 4.170 -0.000 0.000 0.245 367 I C 2.879 178.956 176.117 -0.067 0.000 1.097 367 I CA 1.965 63.228 61.300 -0.061 0.000 1.363 367 I CB -1.848 36.130 38.000 -0.036 0.000 1.051 367 I HN 0.417 nan 8.210 nan 0.000 0.413 368 A N 0.912 123.680 122.820 -0.087 0.000 2.019 368 A HA -0.148 4.171 4.320 -0.000 0.000 0.219 368 A C 2.201 179.750 177.584 -0.058 0.000 1.164 368 A CA 1.159 53.156 52.037 -0.067 0.000 0.644 368 A CB -0.453 18.504 19.000 -0.071 0.000 0.805 368 A HN 0.293 nan 8.150 nan 0.000 0.449 369 I N -0.029 120.485 120.570 -0.094 0.000 2.233 369 I HA -0.159 4.011 4.170 -0.000 0.000 0.243 369 I C 2.131 178.229 176.117 -0.031 0.000 1.093 369 I CA 1.297 62.566 61.300 -0.051 0.000 1.380 369 I CB -1.284 36.636 38.000 -0.133 0.000 1.067 369 I HN 0.352 nan 8.210 nan 0.000 0.413 370 K N 0.976 121.345 120.400 -0.053 0.000 2.103 370 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 370 K C 1.392 177.972 176.600 -0.033 0.000 1.048 370 K CA 1.241 57.503 56.287 -0.042 0.000 0.930 370 K CB -0.207 32.275 32.500 -0.031 0.000 0.716 370 K HN 0.371 nan 8.250 nan 0.000 0.444 371 N N 0.369 119.052 118.700 -0.028 0.000 2.336 371 N HA -0.036 4.704 4.740 -0.000 0.000 0.189 371 N C 0.352 175.850 175.510 -0.020 0.000 1.113 371 N CA 0.255 53.292 53.050 -0.022 0.000 0.858 371 N CB -0.054 38.421 38.487 -0.020 0.000 0.970 371 N HN 0.176 nan 8.380 nan 0.000 0.471 372 C N 2.295 121.588 119.300 -0.013 0.000 4.028 372 C HA -0.204 4.255 4.460 -0.000 0.000 0.300 372 C C -0.063 174.918 174.990 -0.016 0.000 1.399 372 C CA -0.527 58.487 59.018 -0.007 0.000 2.051 372 C CB -2.384 25.345 27.740 -0.019 0.000 1.318 372 C HN 0.344 nan 8.230 nan 0.000 0.696 373 D N 1.688 122.078 120.400 -0.016 0.000 2.338 373 D HA 0.251 4.890 4.640 -0.000 0.000 0.255 373 D C -0.347 175.942 176.300 -0.018 0.000 1.237 373 D CA -1.756 52.232 54.000 -0.019 0.000 0.883 373 D CB 1.126 41.913 40.800 -0.021 0.000 1.087 373 D HN 0.437 nan 8.370 nan 0.000 0.485 374 P HA -0.017 nan 4.420 nan 0.000 0.236 374 P C 0.491 177.780 177.300 -0.018 0.000 1.177 374 P CA 0.507 63.594 63.100 -0.021 0.000 0.773 374 P CB 0.492 32.178 31.700 -0.024 0.000 0.878 375 K N -0.665 119.725 120.400 -0.017 0.000 2.367 375 K HA 0.279 4.599 4.320 -0.000 0.000 0.194 375 K C 1.279 177.870 176.600 -0.015 0.000 1.027 375 K CA -0.194 56.084 56.287 -0.015 0.000 1.075 375 K CB 0.380 32.871 32.500 -0.014 0.000 0.845 375 K HN 0.066 nan 8.250 nan 0.000 0.529 376 A N 1.432 124.242 122.820 -0.017 0.000 2.251 376 A HA 0.107 4.427 4.320 -0.000 0.000 0.278 376 A C -0.084 177.490 177.584 -0.017 0.000 1.206 376 A CA -0.381 51.644 52.037 -0.019 0.000 0.822 376 A CB 0.190 19.174 19.000 -0.027 0.000 1.187 376 A HN 0.045 nan 8.150 nan 0.000 0.504 377 D N -0.682 119.707 120.400 -0.018 0.000 2.368 377 D HA 0.264 4.904 4.640 -0.000 0.000 0.240 377 D C -0.057 176.235 176.300 -0.013 0.000 1.169 377 D CA 0.021 54.012 54.000 -0.015 0.000 0.906 377 D CB 0.578 41.371 40.800 -0.012 0.000 1.187 377 D HN 0.309 nan 8.370 nan 0.000 0.435 378 L N 1.673 122.892 121.223 -0.008 0.000 2.416 378 L HA 0.132 4.472 4.340 -0.000 0.000 0.272 378 L C -0.428 176.450 176.870 0.014 0.000 1.161 378 L CA 0.450 55.291 54.840 0.001 0.000 0.845 378 L CB 0.216 42.274 42.059 -0.002 0.000 1.119 378 L HN 0.213 nan 8.230 nan 0.000 0.464 379 M N 7.624 127.249 119.600 0.042 0.000 1.962 379 M HA 0.304 4.784 4.480 -0.000 0.000 0.227 379 M C -1.239 175.163 176.300 0.170 0.000 0.890 379 M CA -0.087 55.263 55.300 0.083 0.000 0.843 379 M CB 0.841 33.469 32.600 0.046 0.000 1.894 379 M HN 0.547 nan 8.290 nan 0.000 0.359 380 L N 2.409 123.717 121.223 0.142 0.000 2.287 380 L HA 0.501 4.841 4.340 -0.000 0.000 0.287 380 L C -1.376 175.627 176.870 0.221 0.000 1.022 380 L CA -0.749 54.187 54.840 0.159 0.000 0.814 380 L CB 1.409 43.500 42.059 0.053 0.000 1.217 380 L HN 0.538 nan 8.230 nan 0.000 0.420 381 Y N 4.941 125.363 120.300 0.203 0.000 2.327 381 Y HA 0.374 4.924 4.550 -0.000 0.000 0.336 381 Y C -0.551 175.403 175.900 0.089 0.000 1.035 381 Y CA -0.351 57.855 58.100 0.177 0.000 1.165 381 Y CB 1.359 40.006 38.460 0.312 0.000 1.181 381 Y HN 0.287 nan 8.280 nan 0.000 0.494 382 V N 7.216 126.855 119.914 -0.459 0.000 2.353 382 V HA 0.042 4.161 4.120 -0.000 0.000 0.264 382 V C 0.907 176.675 176.094 -0.544 0.000 1.049 382 V CA 0.398 62.487 62.300 -0.352 0.000 0.896 382 V CB 0.714 32.429 31.823 -0.181 0.000 1.025 382 V HN 1.046 nan 8.190 nan 0.000 0.475 383 S N 4.583 120.146 115.700 -0.228 0.000 2.368 383 S HA 0.001 4.471 4.470 -0.000 0.000 0.224 383 S C 0.688 175.356 174.600 0.113 0.000 1.029 383 S CA 1.479 59.704 58.200 0.041 0.000 0.988 383 S CB 0.025 63.412 63.200 0.312 0.000 0.838 383 S HN 0.896 nan 8.310 nan 0.000 0.462 384 K N -1.357 119.147 120.400 0.174 0.000 2.711 384 K HA 0.287 4.607 4.320 -0.000 0.000 0.294 384 K C -1.590 175.126 176.600 0.192 0.000 1.037 384 K CA -0.946 55.438 56.287 0.161 0.000 0.858 384 K CB 0.323 32.928 32.500 0.175 0.000 1.521 384 K HN -0.033 nan 8.250 nan 0.000 0.386 385 M N 2.373 122.079 119.600 0.176 0.000 2.157 385 M HA 0.305 4.785 4.480 -0.000 0.000 0.354 385 M C -0.614 175.852 176.300 0.277 0.000 1.170 385 M CA -0.906 54.541 55.300 0.245 0.000 1.060 385 M CB 1.058 33.795 32.600 0.228 0.000 1.615 385 M HN 0.559 nan 8.290 nan 0.000 0.460 386 V N 6.415 126.454 119.914 0.209 0.000 2.483 386 V HA 0.590 4.710 4.120 -0.000 0.000 0.295 386 V C -2.429 173.542 176.094 -0.206 0.000 1.035 386 V CA -2.100 60.217 62.300 0.028 0.000 0.896 386 V CB 2.085 33.891 31.823 -0.027 0.000 0.986 386 V HN 0.608 nan 8.190 nan 0.000 0.447 387 P HA 0.288 nan 4.420 nan 0.000 0.271 387 P C -0.589 176.365 177.300 -0.576 0.000 1.220 387 P CA 0.265 62.899 63.100 -0.777 0.000 0.768 387 P CB 0.603 31.993 31.700 -0.517 0.000 0.848 388 T N -1.757 112.407 114.554 -0.650 0.000 2.926 388 T HA 0.408 4.758 4.350 -0.000 0.000 0.289 388 T C 0.909 175.383 174.700 -0.376 0.000 1.054 388 T CA -0.411 61.364 62.100 -0.543 0.000 1.015 388 T CB 1.140 69.520 68.868 -0.813 0.000 1.167 388 T HN 0.199 nan 8.240 nan 0.000 0.526 389 S N -0.925 114.612 115.700 -0.273 0.000 2.575 389 S HA 0.092 4.561 4.470 -0.000 0.000 0.215 389 S C 0.509 175.037 174.600 -0.120 0.000 0.966 389 S CA -0.216 57.882 58.200 -0.170 0.000 0.911 389 S CB -0.376 62.750 63.200 -0.123 0.000 0.780 389 S HN 0.773 nan 8.310 nan 0.000 0.514 390 D N 3.337 123.654 120.400 -0.138 0.000 2.545 390 D HA 0.062 4.701 4.640 -0.000 0.000 0.227 390 D C -0.411 175.871 176.300 -0.030 0.000 1.150 390 D CA -0.012 53.959 54.000 -0.048 0.000 1.046 390 D CB -0.230 40.578 40.800 0.014 0.000 1.098 390 D HN -0.004 nan 8.370 nan 0.000 0.502 391 K N 1.959 122.342 120.400 -0.028 0.000 4.971 391 K HA -0.205 4.114 4.320 -0.000 0.000 0.296 391 K C 1.066 177.673 176.600 0.012 0.000 0.724 391 K CA 0.956 57.237 56.287 -0.010 0.000 0.844 391 K CB -1.727 30.775 32.500 0.004 0.000 1.993 391 K HN 0.763 nan 8.250 nan 0.000 0.384 392 G N 0.885 109.689 108.800 0.006 0.000 2.166 392 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.260 392 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.260 392 G C -0.043 174.971 174.900 0.190 0.000 0.986 392 G CA 0.388 45.545 45.100 0.094 0.000 0.683 392 G HN 0.435 nan 8.290 nan 0.000 0.527 393 R N -0.541 120.012 120.500 0.087 0.000 2.368 393 R HA 0.611 4.950 4.340 -0.000 0.000 0.302 393 R C -0.461 175.898 176.300 0.099 0.000 1.002 393 R CA -0.607 55.604 56.100 0.184 0.000 0.929 393 R CB 0.570 30.976 30.300 0.176 0.000 1.073 393 R HN 0.181 nan 8.270 nan 0.000 0.464 394 F N 2.804 122.782 119.950 0.047 0.000 2.427 394 F HA 0.333 4.860 4.527 -0.000 0.000 0.346 394 F C 0.073 176.025 175.800 0.254 0.000 1.120 394 F CA -0.939 57.090 58.000 0.049 0.000 1.033 394 F CB 1.124 40.139 39.000 0.025 0.000 1.126 394 F HN 0.241 nan 8.300 nan 0.000 0.462 395 Y N 1.740 122.114 120.300 0.123 0.000 2.310 395 Y HA 0.552 5.102 4.550 -0.000 0.000 0.326 395 Y C 0.418 176.402 175.900 0.140 0.000 1.151 395 Y CA -2.193 55.971 58.100 0.107 0.000 1.195 395 Y CB 0.949 39.452 38.460 0.072 0.000 1.210 395 Y HN 0.580 nan 8.280 nan 0.000 0.483 396 A N 4.061 127.040 122.820 0.265 0.000 2.366 396 A HA 0.450 4.770 4.320 -0.000 0.000 0.272 396 A C -1.139 176.578 177.584 0.222 0.000 1.135 396 A CA -0.269 51.884 52.037 0.193 0.000 0.804 396 A CB -0.336 18.724 19.000 0.100 0.000 1.064 396 A HN 0.556 nan 8.150 nan 0.000 0.499 397 F N 2.625 122.621 119.950 0.076 0.000 2.469 397 F HA 0.711 5.237 4.527 -0.000 0.000 0.332 397 F C 0.415 176.242 175.800 0.046 0.000 1.103 397 F CA 0.376 58.415 58.000 0.065 0.000 0.979 397 F CB 1.600 40.642 39.000 0.069 0.000 1.137 397 F HN 0.873 nan 8.300 nan 0.000 0.463 398 G N 4.832 113.148 108.800 -0.807 0.000 2.494 398 G HA2 0.475 4.435 3.960 -0.000 0.000 0.308 398 G HA3 0.475 4.435 3.960 -0.000 0.000 0.308 398 G C -2.084 172.517 174.900 -0.499 0.000 1.263 398 G CA -1.166 43.608 45.100 -0.544 0.000 0.840 398 G HN 0.792 nan 8.290 nan 0.000 0.479 399 R N -0.487 119.877 120.500 -0.226 0.000 2.621 399 R HA 0.588 4.928 4.340 -0.000 0.000 0.284 399 R C -1.419 174.715 176.300 -0.277 0.000 0.998 399 R CA -0.552 55.355 56.100 -0.322 0.000 0.895 399 R CB 2.231 32.245 30.300 -0.477 0.000 1.195 399 R HN 0.408 nan 8.270 nan 0.000 0.450 400 V N 6.205 125.954 119.914 -0.276 0.000 2.405 400 V HA 0.178 4.298 4.120 -0.000 0.000 0.264 400 V C 0.326 176.271 176.094 -0.248 0.000 1.048 400 V CA 0.176 62.382 62.300 -0.157 0.000 0.966 400 V CB 0.577 32.333 31.823 -0.110 0.000 1.015 400 V HN 0.772 nan 8.190 nan 0.000 0.477 401 F N 2.734 122.670 119.950 -0.024 0.000 2.530 401 F HA 0.512 5.039 4.527 -0.000 0.000 0.292 401 F C 1.237 177.003 175.800 -0.056 0.000 1.109 401 F CA 0.812 58.787 58.000 -0.042 0.000 1.450 401 F CB 0.315 39.291 39.000 -0.040 0.000 1.114 401 F HN 0.568 nan 8.300 nan 0.000 0.560 402 A N -0.905 121.983 122.820 0.113 0.000 2.572 402 A HA 0.664 4.984 4.320 -0.000 0.000 0.295 402 A C 0.257 177.847 177.584 0.010 0.000 1.072 402 A CA -0.248 51.810 52.037 0.034 0.000 0.691 402 A CB 0.518 19.521 19.000 0.005 0.000 1.291 402 A HN 0.645 nan 8.150 nan 0.000 0.404 403 G N -0.121 108.674 108.800 -0.007 0.000 2.598 403 G HA2 0.390 4.350 3.960 -0.000 0.000 0.244 403 G HA3 0.390 4.350 3.960 -0.000 0.000 0.244 403 G C 0.207 175.097 174.900 -0.017 0.000 1.302 403 G CA 0.521 45.614 45.100 -0.012 0.000 0.903 403 G HN 2.897 nan 8.290 nan 0.000 0.575 404 T N -3.800 110.744 114.554 -0.018 0.000 2.993 404 T HA 0.638 4.987 4.350 -0.000 0.000 0.312 404 T C -0.579 174.109 174.700 -0.020 0.000 1.115 404 T CA 0.243 62.330 62.100 -0.023 0.000 1.027 404 T CB 1.758 70.612 68.868 -0.023 0.000 1.116 404 T HN 2.050 nan 8.240 nan 0.000 0.464 405 V N 3.161 123.061 119.914 -0.024 0.000 2.567 405 V HA 0.712 4.832 4.120 -0.000 0.000 0.289 405 V C -0.635 175.446 176.094 -0.021 0.000 1.049 405 V CA -0.299 61.988 62.300 -0.022 0.000 0.969 405 V CB 1.113 32.921 31.823 -0.025 0.000 0.995 405 V HN 1.024 nan 8.190 nan 0.000 0.471 406 K N 3.742 124.130 120.400 -0.019 0.000 2.385 406 K HA 0.543 4.863 4.320 -0.000 0.000 0.248 406 K C -0.658 175.931 176.600 -0.018 0.000 0.955 406 K CA -0.622 55.654 56.287 -0.017 0.000 0.816 406 K CB 2.025 34.516 32.500 -0.015 0.000 1.250 406 K HN 0.575 nan 8.250 nan 0.000 0.434 407 S N 0.610 116.300 115.700 -0.017 0.000 2.533 407 S HA 0.281 4.751 4.470 -0.000 0.000 0.282 407 S C 1.053 175.645 174.600 -0.014 0.000 1.304 407 S CA 0.657 58.846 58.200 -0.018 0.000 1.063 407 S CB 0.606 63.796 63.200 -0.018 0.000 0.881 407 S HN 0.945 nan 8.310 nan 0.000 0.493 408 G N 2.072 110.865 108.800 -0.013 0.000 2.143 408 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 408 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 408 G C -0.027 174.868 174.900 -0.009 0.000 0.991 408 G CA 0.344 45.439 45.100 -0.008 0.000 0.689 408 G HN 0.738 nan 8.290 nan 0.000 0.522 409 Q N 0.320 120.113 119.800 -0.012 0.000 2.288 409 Q HA 0.449 4.788 4.340 -0.000 0.000 0.254 409 Q C 0.155 176.146 176.000 -0.015 0.000 0.932 409 Q CA -0.408 55.387 55.803 -0.013 0.000 0.902 409 Q CB 0.418 29.147 28.738 -0.015 0.000 1.203 409 Q HN 0.341 nan 8.270 nan 0.000 0.415 410 K N 2.796 123.186 120.400 -0.017 0.000 2.316 410 K HA 0.292 4.611 4.320 -0.000 0.000 0.289 410 K C -0.963 175.620 176.600 -0.028 0.000 1.070 410 K CA -0.282 55.992 56.287 -0.022 0.000 0.928 410 K CB 0.970 33.458 32.500 -0.020 0.000 1.039 410 K HN 0.384 nan 8.250 nan 0.000 0.480 411 V N 2.960 122.852 119.914 -0.037 0.000 3.141 411 V HA 0.447 4.567 4.120 -0.000 0.000 0.312 411 V C -0.468 175.590 176.094 -0.060 0.000 1.157 411 V CA -1.247 61.029 62.300 -0.041 0.000 1.041 411 V CB 2.186 33.990 31.823 -0.032 0.000 1.071 411 V HN 0.662 nan 8.190 nan 0.000 0.441 412 R N 1.437 121.896 120.500 -0.068 0.000 2.275 412 R HA 0.580 4.920 4.340 -0.000 0.000 0.326 412 R C -0.921 175.314 176.300 -0.109 0.000 0.973 412 R CA -0.291 55.750 56.100 -0.097 0.000 0.854 412 R CB 0.975 31.204 30.300 -0.118 0.000 1.156 412 R HN 0.571 nan 8.270 nan 0.000 0.487 413 I N 4.022 124.552 120.570 -0.067 0.000 2.363 413 I HA 0.024 4.194 4.170 -0.000 0.000 0.292 413 I C 0.206 176.327 176.117 0.007 0.000 1.075 413 I CA 0.175 61.476 61.300 0.002 0.000 1.333 413 I CB 0.605 38.653 38.000 0.081 0.000 1.415 413 I HN 0.391 nan 8.210 nan 0.000 0.502 414 Q N 5.859 125.607 119.800 -0.087 0.000 2.394 414 Q HA 0.411 4.750 4.340 -0.000 0.000 0.259 414 Q C 0.458 176.494 176.000 0.060 0.000 1.021 414 Q CA -0.593 55.118 55.803 -0.153 0.000 0.805 414 Q CB 1.960 30.360 28.738 -0.564 0.000 1.226 414 Q HN 0.801 nan 8.270 nan 0.000 0.476 415 G N 2.642 111.558 108.800 0.193 0.000 2.527 415 G HA2 0.044 4.004 3.960 -0.000 0.000 0.279 415 G HA3 0.044 4.004 3.960 -0.000 0.000 0.279 415 G C -1.668 173.327 174.900 0.158 0.000 1.374 415 G CA -0.842 44.372 45.100 0.191 0.000 1.053 415 G HN 0.389 nan 8.290 nan 0.000 0.539 416 P HA 0.017 nan 4.420 nan 0.000 0.226 416 P C 0.969 178.340 177.300 0.117 0.000 1.153 416 P CA 0.787 63.957 63.100 0.116 0.000 0.777 416 P CB 0.268 32.024 31.700 0.093 0.000 0.794 417 N N -2.445 116.331 118.700 0.126 0.000 2.187 417 N HA 0.026 4.766 4.740 -0.000 0.000 0.212 417 N C -0.023 175.545 175.510 0.096 0.000 1.152 417 N CA -0.255 52.852 53.050 0.094 0.000 0.872 417 N CB 0.087 38.613 38.487 0.065 0.000 1.025 417 N HN 0.198 nan 8.380 nan 0.000 0.514 418 Y N 1.745 122.054 120.300 0.015 0.000 2.497 418 Y HA 0.182 4.731 4.550 -0.000 0.000 0.334 418 Y C -0.198 175.682 175.900 -0.034 0.000 1.199 418 Y CA 0.110 58.199 58.100 -0.018 0.000 1.425 418 Y CB 0.645 39.096 38.460 -0.015 0.000 1.291 418 Y HN -0.288 nan 8.280 nan 0.000 0.562 419 V N 8.607 128.088 119.914 -0.722 0.000 2.686 419 V HA 0.210 4.330 4.120 -0.000 0.000 0.306 419 V C -1.887 173.709 176.094 -0.831 0.000 1.065 419 V CA -1.666 60.339 62.300 -0.493 0.000 0.894 419 V CB 1.911 33.571 31.823 -0.273 0.000 1.004 419 V HN 0.675 nan 8.190 nan 0.000 0.424 420 P HA -0.187 nan 4.420 nan 0.000 0.218 420 P C 1.420 178.580 177.300 -0.234 0.000 1.147 420 P CA 1.872 64.840 63.100 -0.221 0.000 0.827 420 P CB 0.320 31.880 31.700 -0.234 0.000 0.778 421 G N -1.392 107.256 108.800 -0.253 0.000 2.441 421 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.212 421 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.212 421 G C 0.533 175.311 174.900 -0.202 0.000 1.164 421 G CA 0.191 45.186 45.100 -0.176 0.000 0.811 421 G HN 0.266 nan 8.290 nan 0.000 0.535 422 K N 0.271 120.499 120.400 -0.286 0.000 2.109 422 K HA 0.358 4.678 4.320 -0.000 0.000 0.243 422 K C 0.149 176.558 176.600 -0.319 0.000 1.006 422 K CA -0.506 55.629 56.287 -0.253 0.000 0.917 422 K CB 1.086 33.454 32.500 -0.220 0.000 1.081 422 K HN 0.101 nan 8.250 nan 0.000 0.468 423 K N 0.538 120.812 120.400 -0.209 0.000 2.570 423 K HA 0.062 4.382 4.320 -0.000 0.000 0.210 423 K C -0.765 175.729 176.600 -0.178 0.000 1.048 423 K CA -0.360 55.822 56.287 -0.175 0.000 1.167 423 K CB -0.280 32.148 32.500 -0.119 0.000 0.892 423 K HN 0.490 nan 8.250 nan 0.000 0.480 424 D N 0.873 121.155 120.400 -0.196 0.000 2.341 424 D HA 0.025 4.665 4.640 -0.000 0.000 0.245 424 D C 0.311 176.573 176.300 -0.064 0.000 1.106 424 D CA -0.247 53.676 54.000 -0.128 0.000 0.905 424 D CB 0.651 41.390 40.800 -0.102 0.000 1.202 424 D HN 0.031 nan 8.370 nan 0.000 0.426 425 D N -1.245 119.119 120.400 -0.060 0.000 2.979 425 D HA -0.217 4.423 4.640 -0.000 0.000 0.208 425 D C 0.142 176.342 176.300 -0.167 0.000 1.122 425 D CA 0.654 54.677 54.000 0.038 0.000 0.992 425 D CB -0.503 40.427 40.800 0.216 0.000 1.117 425 D HN 0.428 nan 8.370 nan 0.000 0.397 426 L N 0.269 121.348 121.223 -0.240 0.000 2.416 426 L HA 0.368 4.708 4.340 -0.000 0.000 0.272 426 L C -0.688 175.724 176.870 -0.763 0.000 1.161 426 L CA 0.412 55.122 54.840 -0.217 0.000 0.845 426 L CB 0.179 42.270 42.059 0.054 0.000 1.119 426 L HN -0.084 nan 8.230 nan 0.000 0.464 427 F N 5.893 125.790 119.950 -0.090 0.000 2.915 427 F HA 0.426 4.953 4.527 -0.000 0.000 0.350 427 F C -0.326 175.273 175.800 -0.335 0.000 1.248 427 F CA -0.513 57.329 58.000 -0.264 0.000 1.084 427 F CB 0.925 39.685 39.000 -0.401 0.000 1.391 427 F HN 0.234 nan 8.300 nan 0.000 0.548 428 I N 3.941 124.429 120.570 -0.137 0.000 2.342 428 I HA 0.496 4.665 4.170 -0.000 0.000 0.291 428 I C -0.246 175.754 176.117 -0.194 0.000 1.010 428 I CA -0.442 60.776 61.300 -0.135 0.000 1.308 428 I CB 1.615 39.566 38.000 -0.082 0.000 1.400 428 I HN 0.440 nan 8.210 nan 0.000 0.488 429 K N 4.139 124.433 120.400 -0.178 0.000 2.597 429 K HA 0.684 5.003 4.320 -0.000 0.000 0.282 429 K C -1.324 175.240 176.600 -0.059 0.000 0.975 429 K CA -0.495 55.708 56.287 -0.140 0.000 0.867 429 K CB 1.916 34.257 32.500 -0.265 0.000 1.465 429 K HN 0.584 nan 8.250 nan 0.000 0.417 430 A N 2.717 125.529 122.820 -0.014 0.000 2.340 430 A HA 0.567 4.887 4.320 -0.000 0.000 0.268 430 A C -0.296 177.294 177.584 0.011 0.000 1.100 430 A CA -0.422 51.613 52.037 -0.004 0.000 0.803 430 A CB -0.054 18.949 19.000 0.004 0.000 1.043 430 A HN 0.606 nan 8.150 nan 0.000 0.488 431 I N 2.334 122.904 120.570 0.000 0.000 2.337 431 I HA 0.028 4.198 4.170 -0.000 0.000 0.291 431 I C 1.218 177.330 176.117 -0.009 0.000 1.046 431 I CA 0.044 61.343 61.300 -0.001 0.000 1.324 431 I CB 1.142 39.134 38.000 -0.013 0.000 1.409 431 I HN 0.890 nan 8.210 nan 0.000 0.494 432 Q N 4.211 124.005 119.800 -0.011 0.000 2.084 432 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 432 Q C 0.479 176.456 176.000 -0.039 0.000 0.978 432 Q CA 1.317 57.107 55.803 -0.021 0.000 0.844 432 Q CB 0.171 28.895 28.738 -0.023 0.000 0.898 432 Q HN 0.464 nan 8.270 nan 0.000 0.426 433 R N -1.065 119.396 120.500 -0.067 0.000 2.629 433 R HA 0.350 4.689 4.340 -0.000 0.000 0.266 433 R C -2.089 174.163 176.300 -0.081 0.000 1.051 433 R CA -0.279 55.779 56.100 -0.070 0.000 0.895 433 R CB 2.024 32.273 30.300 -0.085 0.000 1.246 433 R HN -0.144 nan 8.270 nan 0.000 0.459 434 V N 4.614 124.497 119.914 -0.051 0.000 2.370 434 V HA 0.569 4.688 4.120 -0.000 0.000 0.283 434 V C -0.422 175.658 176.094 -0.024 0.000 1.023 434 V CA -0.553 61.724 62.300 -0.039 0.000 0.857 434 V CB 1.474 33.282 31.823 -0.026 0.000 0.985 434 V HN 0.583 nan 8.190 nan 0.000 0.443 435 V N 3.979 123.886 119.914 -0.012 0.000 2.769 435 V HA 0.661 4.780 4.120 -0.000 0.000 0.312 435 V C -0.487 175.647 176.094 0.066 0.000 1.061 435 V CA -0.999 61.319 62.300 0.030 0.000 0.931 435 V CB 1.950 33.801 31.823 0.046 0.000 1.010 435 V HN 0.618 nan 8.190 nan 0.000 0.433 436 L N 4.628 125.897 121.223 0.077 0.000 2.331 436 L HA 0.431 4.770 4.340 -0.000 0.000 0.278 436 L C 0.189 177.139 176.870 0.132 0.000 1.106 436 L CA -0.248 54.647 54.840 0.092 0.000 0.824 436 L CB 1.197 43.303 42.059 0.077 0.000 1.142 436 L HN 0.552 nan 8.230 nan 0.000 0.443 437 M N 5.795 125.492 119.600 0.161 0.000 2.261 437 M HA 0.305 4.785 4.480 -0.000 0.000 0.349 437 M C -0.559 175.822 176.300 0.135 0.000 1.305 437 M CA 0.240 55.644 55.300 0.173 0.000 1.240 437 M CB 0.606 33.357 32.600 0.252 0.000 1.394 437 M HN 0.521 nan 8.290 nan 0.000 0.438 438 M N 2.541 122.220 119.600 0.131 0.000 2.268 438 M HA 0.386 4.865 4.480 -0.000 0.000 0.340 438 M C 0.966 177.337 176.300 0.118 0.000 1.099 438 M CA -0.182 55.197 55.300 0.132 0.000 1.053 438 M CB 0.503 33.198 32.600 0.158 0.000 1.284 438 M HN 0.926 nan 8.290 nan 0.000 0.410 439 G N 3.233 112.057 108.800 0.040 0.000 2.543 439 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.286 439 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.286 439 G C 0.589 175.396 174.900 -0.154 0.000 1.153 439 G CA 0.067 45.147 45.100 -0.033 0.000 0.968 439 G HN 0.693 nan 8.290 nan 0.000 0.544 440 R N -0.070 120.208 120.500 -0.370 0.000 2.317 440 R HA 0.344 4.683 4.340 -0.000 0.000 0.208 440 R C 0.178 176.040 176.300 -0.731 0.000 0.914 440 R CA 0.261 55.991 56.100 -0.616 0.000 1.060 440 R CB 0.053 29.855 30.300 -0.829 0.000 1.015 440 R HN 0.247 nan 8.270 nan 0.000 0.498 441 F N -0.144 119.802 119.950 -0.006 0.000 2.557 441 F HA 0.444 4.971 4.527 -0.000 0.000 0.336 441 F C 0.414 176.239 175.800 0.043 0.000 1.058 441 F CA -1.468 56.540 58.000 0.012 0.000 0.988 441 F CB 1.034 40.042 39.000 0.013 0.000 1.275 441 F HN -0.349 nan 8.300 nan 0.000 0.488 442 V N -1.209 118.873 119.914 0.279 0.000 3.001 442 V HA 0.883 5.002 4.120 -0.000 0.000 0.314 442 V C -1.482 174.708 176.094 0.161 0.000 1.099 442 V CA -0.844 61.579 62.300 0.206 0.000 0.989 442 V CB 1.935 33.902 31.823 0.240 0.000 1.040 442 V HN 0.719 nan 8.190 nan 0.000 0.434 443 E N 2.376 122.647 120.200 0.118 0.000 2.343 443 E HA 0.586 4.936 4.350 -0.000 0.000 0.260 443 E C -3.042 173.590 176.600 0.054 0.000 0.908 443 E CA -2.021 54.425 56.400 0.076 0.000 0.814 443 E CB 2.167 31.906 29.700 0.064 0.000 1.302 443 E HN 0.646 nan 8.360 nan 0.000 0.408 444 P HA 0.127 nan 4.420 nan 0.000 0.265 444 P C -0.613 176.695 177.300 0.013 0.000 1.187 444 P CA 0.278 63.389 63.100 0.019 0.000 0.766 444 P CB 0.498 32.206 31.700 0.014 0.000 0.820 445 I N 1.740 122.312 120.570 0.004 0.000 2.994 445 I HA 0.216 4.385 4.170 -0.000 0.000 0.306 445 I C 0.495 176.608 176.117 -0.006 0.000 1.195 445 I CA -0.707 60.593 61.300 0.001 0.000 1.001 445 I CB 2.437 40.440 38.000 0.004 0.000 1.244 445 I HN 0.208 nan 8.210 nan 0.000 0.437 446 D N 2.106 122.501 120.400 -0.008 0.000 2.120 446 D HA 0.000 4.640 4.640 -0.000 0.000 0.202 446 D C -0.483 175.809 176.300 -0.013 0.000 0.972 446 D CA 1.356 55.349 54.000 -0.011 0.000 0.837 446 D CB 0.118 40.912 40.800 -0.010 0.000 0.989 446 D HN 0.690 nan 8.370 nan 0.000 0.469 447 D N -1.804 118.588 120.400 -0.014 0.000 2.664 447 D HA 0.402 5.042 4.640 -0.000 0.000 0.292 447 D C -1.194 175.094 176.300 -0.019 0.000 1.214 447 D CA -0.913 53.077 54.000 -0.017 0.000 0.932 447 D CB 1.837 42.627 40.800 -0.017 0.000 1.420 447 D HN 0.013 nan 8.370 nan 0.000 0.471 448 C N 1.374 120.659 119.300 -0.025 0.000 2.817 448 C HA 0.614 5.074 4.460 -0.000 0.000 0.385 448 C C -2.873 172.095 174.990 -0.037 0.000 1.050 448 C CA -0.883 58.116 59.018 -0.031 0.000 1.245 448 C CB 0.981 28.700 27.740 -0.035 0.000 1.706 448 C HN 0.581 nan 8.230 nan 0.000 0.488 449 P HA 0.387 nan 4.420 nan 0.000 0.278 449 P C -0.253 177.013 177.300 -0.057 0.000 1.266 449 P CA 0.046 63.122 63.100 -0.041 0.000 0.807 449 P CB 0.894 32.574 31.700 -0.035 0.000 1.094 450 A N 0.283 123.072 122.820 -0.052 0.000 2.565 450 A HA 0.373 4.693 4.320 -0.000 0.000 0.237 450 A C 1.422 178.951 177.584 -0.092 0.000 1.053 450 A CA 1.101 53.097 52.037 -0.068 0.000 0.755 450 A CB -1.656 17.322 19.000 -0.036 0.000 0.980 450 A HN 0.908 nan 8.150 nan 0.000 0.506 451 G N 1.886 110.594 108.800 -0.154 0.000 2.218 451 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.216 451 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.216 451 G C 0.109 174.908 174.900 -0.169 0.000 0.994 451 G CA 0.124 45.128 45.100 -0.160 0.000 0.637 451 G HN 0.826 nan 8.290 nan 0.000 0.505 452 N N 0.007 118.611 118.700 -0.160 0.000 2.443 452 N HA 0.662 5.402 4.740 -0.000 0.000 0.293 452 N C -0.580 174.829 175.510 -0.168 0.000 1.159 452 N CA -0.418 52.555 53.050 -0.129 0.000 0.904 452 N CB 1.645 40.084 38.487 -0.080 0.000 1.214 452 N HN 0.088 nan 8.380 nan 0.000 0.513 453 I N 1.222 121.719 120.570 -0.121 0.000 2.499 453 I HA 0.400 4.570 4.170 -0.000 0.000 0.296 453 I C 0.069 176.122 176.117 -0.105 0.000 0.992 453 I CA -0.144 61.063 61.300 -0.154 0.000 1.297 453 I CB 0.842 38.817 38.000 -0.041 0.000 1.410 453 I HN 0.439 nan 8.210 nan 0.000 0.507 454 I N 2.681 123.150 120.570 -0.168 0.000 2.961 454 I HA 0.654 4.823 4.170 -0.000 0.000 0.303 454 I C -0.879 175.219 176.117 -0.032 0.000 1.505 454 I CA -0.177 61.089 61.300 -0.056 0.000 0.964 454 I CB 2.140 40.103 38.000 -0.062 0.000 1.348 454 I HN 0.508 nan 8.210 nan 0.000 0.508 455 G N 4.480 113.319 108.800 0.064 0.000 2.461 455 G HA2 0.695 4.655 3.960 -0.000 0.000 0.323 455 G HA3 0.695 4.655 3.960 -0.000 0.000 0.323 455 G C -1.788 173.129 174.900 0.028 0.000 1.229 455 G CA -0.570 44.600 45.100 0.117 0.000 0.941 455 G HN 0.565 nan 8.290 nan 0.000 0.477 456 L N 1.991 123.222 121.223 0.013 0.000 2.341 456 L HA 0.602 4.942 4.340 -0.000 0.000 0.278 456 L C -0.065 176.721 176.870 -0.141 0.000 1.005 456 L CA -1.235 53.573 54.840 -0.053 0.000 0.818 456 L CB 1.966 44.014 42.059 -0.018 0.000 1.259 456 L HN 0.375 nan 8.230 nan 0.000 0.418 457 V N 2.436 122.187 119.914 -0.271 0.000 2.483 457 V HA 0.852 4.972 4.120 -0.000 0.000 0.295 457 V C 0.681 176.682 176.094 -0.156 0.000 1.035 457 V CA 0.786 62.831 62.300 -0.425 0.000 0.896 457 V CB 1.192 32.564 31.823 -0.752 0.000 0.986 457 V HN 0.978 nan 8.190 nan 0.000 0.447 458 G N 5.248 114.012 108.800 -0.061 0.000 2.184 458 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.206 458 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.206 458 G C 0.279 175.228 174.900 0.082 0.000 0.995 458 G CA 0.154 45.265 45.100 0.019 0.000 0.651 458 G HN 0.786 nan 8.290 nan 0.000 0.511 459 I N 1.628 122.245 120.570 0.079 0.000 3.728 459 I HA 0.142 4.312 4.170 -0.000 0.000 0.307 459 I C 1.990 178.133 176.117 0.042 0.000 1.276 459 I CA 0.924 62.302 61.300 0.131 0.000 1.285 459 I CB -0.799 37.261 38.000 0.101 0.000 1.038 459 I HN 0.083 nan 8.210 nan 0.000 0.445 460 D N 2.274 122.680 120.400 0.009 0.000 2.355 460 D HA -0.302 4.337 4.640 -0.000 0.000 0.192 460 D C 2.210 178.383 176.300 -0.210 0.000 1.014 460 D CA 2.067 56.041 54.000 -0.043 0.000 0.862 460 D CB -0.481 40.321 40.800 0.003 0.000 0.986 460 D HN 0.420 nan 8.370 nan 0.000 0.456 461 Q N 0.292 119.850 119.800 -0.403 0.000 2.135 461 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 461 Q C 2.132 177.714 176.000 -0.697 0.000 0.981 461 Q CA 1.387 56.823 55.803 -0.611 0.000 0.856 461 Q CB -0.865 27.352 28.738 -0.868 0.000 0.902 461 Q HN 0.417 nan 8.270 nan 0.000 0.425 462 F N 0.201 119.939 119.950 -0.354 0.000 2.416 462 F HA 0.251 4.778 4.527 -0.000 0.000 0.296 462 F C 0.876 176.440 175.800 -0.393 0.000 1.099 462 F CA -0.020 57.590 58.000 -0.649 0.000 1.427 462 F CB 0.085 38.731 39.000 -0.590 0.000 1.079 462 F HN 0.000 nan 8.300 nan 0.000 0.536 463 L N 0.178 121.361 121.223 -0.067 0.000 2.408 463 L HA 0.561 4.901 4.340 -0.000 0.000 0.268 463 L C -1.133 175.704 176.870 -0.056 0.000 0.986 463 L CA -0.672 54.154 54.840 -0.022 0.000 0.820 463 L CB 1.978 44.054 42.059 0.029 0.000 1.303 463 L HN -0.140 nan 8.230 nan 0.000 0.411 464 L N 5.804 126.998 121.223 -0.049 0.000 2.415 464 L HA 0.533 4.873 4.340 -0.000 0.000 0.268 464 L C 0.048 176.900 176.870 -0.030 0.000 0.984 464 L CA -0.594 54.201 54.840 -0.074 0.000 0.853 464 L CB 1.367 43.360 42.059 -0.110 0.000 1.215 464 L HN 0.724 nan 8.230 nan 0.000 0.419 465 K N 0.006 120.400 120.400 -0.010 0.000 5.647 465 K HA -0.148 4.172 4.320 -0.000 0.000 0.463 465 K C 0.003 176.598 176.600 -0.007 0.000 1.759 465 K CA 0.932 57.227 56.287 0.013 0.000 0.955 465 K CB -0.742 31.769 32.500 0.018 0.000 1.358 465 K HN 0.751 nan 8.250 nan 0.000 0.433 466 T N -0.403 114.142 114.554 -0.015 0.000 2.860 466 T HA 0.554 4.904 4.350 -0.000 0.000 0.299 466 T C 0.588 175.239 174.700 -0.081 0.000 1.045 466 T CA 0.262 62.302 62.100 -0.101 0.000 1.071 466 T CB 1.444 70.287 68.868 -0.042 0.000 0.985 466 T HN 0.870 nan 8.240 nan 0.000 0.537 467 G N -0.148 108.548 108.800 -0.174 0.000 2.490 467 G HA2 0.580 4.539 3.960 -0.000 0.000 0.308 467 G HA3 0.580 4.539 3.960 -0.000 0.000 0.308 467 G C -1.370 173.493 174.900 -0.062 0.000 1.286 467 G CA -0.799 44.266 45.100 -0.060 0.000 0.825 467 G HN 0.887 nan 8.290 nan 0.000 0.479 468 T N 0.565 115.122 114.554 0.004 0.000 3.548 468 T HA 0.446 4.796 4.350 -0.000 0.000 0.329 468 T C -1.256 173.447 174.700 0.004 0.000 0.960 468 T CA -0.356 61.773 62.100 0.049 0.000 1.041 468 T CB 1.291 70.223 68.868 0.107 0.000 1.065 468 T HN 0.391 nan 8.240 nan 0.000 0.459 469 L N 3.996 125.230 121.223 0.019 0.000 2.292 469 L HA 0.759 5.098 4.340 -0.000 0.000 0.284 469 L C 0.874 177.743 176.870 -0.002 0.000 1.065 469 L CA 0.092 54.928 54.840 -0.007 0.000 0.806 469 L CB 1.296 43.355 42.059 -0.000 0.000 1.175 469 L HN 0.879 nan 8.230 nan 0.000 0.431 470 T N -2.146 112.386 114.554 -0.037 0.000 2.883 470 T HA 0.397 4.747 4.350 -0.000 0.000 0.296 470 T C 0.135 174.815 174.700 -0.034 0.000 1.117 470 T CA -0.512 61.572 62.100 -0.026 0.000 1.006 470 T CB 1.729 70.577 68.868 -0.034 0.000 1.191 470 T HN 0.301 nan 8.240 nan 0.000 0.508 471 T N 0.715 115.256 114.554 -0.021 0.000 3.200 471 T HA 0.428 4.778 4.350 -0.000 0.000 0.284 471 T C -0.042 174.649 174.700 -0.014 0.000 1.009 471 T CA -0.118 61.970 62.100 -0.020 0.000 0.907 471 T CB -0.359 68.499 68.868 -0.016 0.000 1.120 471 T HN 0.829 nan 8.240 nan 0.000 0.534 472 S N 0.235 115.929 115.700 -0.010 0.000 2.519 472 S HA 0.401 4.871 4.470 -0.000 0.000 0.309 472 S C 0.723 175.329 174.600 0.010 0.000 1.100 472 S CA -0.574 57.629 58.200 0.004 0.000 1.059 472 S CB 1.814 65.023 63.200 0.014 0.000 1.008 472 S HN 0.380 nan 8.310 nan 0.000 0.478 473 E N 2.670 122.880 120.200 0.016 0.000 2.338 473 E HA -0.079 4.271 4.350 -0.000 0.000 0.197 473 E C 0.907 177.538 176.600 0.050 0.000 1.007 473 E CA 1.181 57.600 56.400 0.030 0.000 0.849 473 E CB 0.131 29.845 29.700 0.023 0.000 0.774 473 E HN 0.772 nan 8.360 nan 0.000 0.506 474 T N 0.309 114.893 114.554 0.051 0.000 3.035 474 T HA 0.168 4.518 4.350 -0.000 0.000 0.259 474 T C 0.534 175.297 174.700 0.105 0.000 1.078 474 T CA 0.414 62.556 62.100 0.070 0.000 1.132 474 T CB 0.091 69.005 68.868 0.076 0.000 0.900 474 T HN 0.231 nan 8.240 nan 0.000 0.480 475 A N 1.875 124.757 122.820 0.104 0.000 2.591 475 A HA 0.041 4.361 4.320 -0.000 0.000 0.244 475 A C -0.033 177.662 177.584 0.185 0.000 1.031 475 A CA 0.486 52.621 52.037 0.163 0.000 0.767 475 A CB -0.379 18.668 19.000 0.079 0.000 0.942 475 A HN 0.579 nan 8.150 nan 0.000 0.514 476 H N 1.606 120.859 119.070 0.304 0.000 2.495 476 H HA 0.279 4.834 4.556 -0.000 0.000 0.350 476 H C 0.752 176.174 175.328 0.156 0.000 1.202 476 H CA -0.032 56.099 56.048 0.139 0.000 1.322 476 H CB 0.647 30.284 29.762 -0.209 0.000 1.544 476 H HN 0.805 nan 8.280 nan 0.000 0.565 477 N N 1.216 120.058 118.700 0.237 0.000 2.483 477 N HA 0.102 4.842 4.740 -0.000 0.000 0.269 477 N C -0.253 175.344 175.510 0.145 0.000 1.209 477 N CA -0.059 53.099 53.050 0.181 0.000 0.969 477 N CB 0.854 39.448 38.487 0.178 0.000 1.173 477 N HN 0.445 nan 8.380 nan 0.000 0.475 478 M N 0.968 120.678 119.600 0.184 0.000 2.116 478 M HA 0.287 4.767 4.480 -0.000 0.000 0.235 478 M C 0.846 177.195 176.300 0.083 0.000 1.193 478 M CA 0.032 55.407 55.300 0.125 0.000 0.959 478 M CB 0.733 33.414 32.600 0.135 0.000 1.313 478 M HN 0.404 nan 8.290 nan 0.000 0.530 479 K N -0.605 119.777 120.400 -0.031 0.000 1.726 479 K HA 0.630 4.950 4.320 -0.000 0.000 0.278 479 K C -0.934 175.675 176.600 0.014 0.000 0.842 479 K CA -0.272 56.008 56.287 -0.011 0.000 0.597 479 K CB 1.733 34.204 32.500 -0.048 0.000 2.677 479 K HN 0.514 nan 8.250 nan 0.000 0.945 480 V N -0.293 119.636 119.914 0.026 0.000 4.235 480 V HA 0.175 4.294 4.120 -0.000 0.000 0.562 480 V C -0.081 176.059 176.094 0.077 0.000 1.869 480 V CA 0.041 62.373 62.300 0.054 0.000 2.334 480 V CB -0.273 31.586 31.823 0.060 0.000 1.069 480 V HN 0.997 nan 8.190 nan 0.000 0.558 481 M N 0.209 119.871 119.600 0.103 0.000 7.319 481 M HA -0.260 4.220 4.480 -0.000 0.000 0.114 481 M C 0.164 176.714 176.300 0.417 0.000 0.480 481 M CA 2.318 57.744 55.300 0.210 0.000 1.311 481 M CB -0.589 32.172 32.600 0.267 0.000 0.421 481 M HN 0.290 nan 8.290 nan 0.000 0.204 482 K N 2.183 122.640 120.400 0.095 0.000 3.006 482 K HA 0.307 4.627 4.320 -0.000 0.000 0.262 482 K C -1.037 175.517 176.600 -0.077 0.000 1.289 482 K CA 0.520 56.813 56.287 0.010 0.000 1.245 482 K CB -1.289 31.295 32.500 0.140 0.000 1.614 482 K HN 0.696 nan 8.250 nan 0.000 0.322 483 F N -2.835 117.426 119.950 0.519 0.000 1.949 483 F HA -0.261 4.265 4.527 -0.000 0.000 0.374 483 F C -0.155 175.824 175.800 0.299 0.000 1.080 483 F CA -0.256 57.903 58.000 0.264 0.000 1.203 483 F CB -1.609 37.486 39.000 0.157 0.000 1.952 483 F HN 0.120 nan 8.300 nan 0.000 0.717 484 S N 0.502 116.469 115.700 0.446 0.000 2.568 484 S HA 0.533 5.003 4.470 -0.000 0.000 0.282 484 S C 0.697 175.484 174.600 0.312 0.000 1.338 484 S CA -0.164 58.238 58.200 0.336 0.000 1.045 484 S CB 0.963 64.299 63.200 0.227 0.000 0.873 484 S HN 1.966 nan 8.310 nan 0.000 0.516 485 V N 1.205 121.272 119.914 0.255 0.000 3.330 485 V HA 0.470 4.590 4.120 -0.000 0.000 0.309 485 V C 0.133 176.304 176.094 0.128 0.000 1.481 485 V CA -0.346 62.062 62.300 0.181 0.000 1.068 485 V CB 0.105 32.047 31.823 0.199 0.000 0.935 485 V HN 0.531 nan 8.190 nan 0.000 0.453 486 S N 2.373 118.157 115.700 0.139 0.000 2.472 486 S HA 0.619 5.089 4.470 -0.000 0.000 0.303 486 S C -2.673 172.005 174.600 0.130 0.000 1.099 486 S CA -0.946 57.326 58.200 0.120 0.000 1.077 486 S CB 1.743 65.013 63.200 0.117 0.000 1.031 486 S HN 0.224 nan 8.310 nan 0.000 0.487 487 P HA 0.051 nan 4.420 nan 0.000 0.232 487 P C 0.991 178.377 177.300 0.142 0.000 1.738 487 P CA -0.072 63.114 63.100 0.143 0.000 0.948 487 P CB -0.654 31.129 31.700 0.138 0.000 1.943 488 V N -2.142 117.860 119.914 0.146 0.000 2.970 488 V HA -0.020 4.100 4.120 -0.000 0.000 0.260 488 V C 0.751 176.949 176.094 0.173 0.000 1.100 488 V CA 0.733 63.122 62.300 0.148 0.000 1.122 488 V CB -0.563 31.350 31.823 0.149 0.000 0.721 488 V HN -0.040 nan 8.190 nan 0.000 0.483 489 V N 3.105 123.117 119.914 0.163 0.000 2.347 489 V HA 0.518 4.637 4.120 -0.000 0.000 0.280 489 V C -0.329 175.826 176.094 0.101 0.000 1.021 489 V CA -0.369 62.018 62.300 0.146 0.000 0.847 489 V CB 0.729 32.629 31.823 0.128 0.000 0.990 489 V HN 0.704 nan 8.190 nan 0.000 0.444 490 Q N 4.041 123.892 119.800 0.086 0.000 2.389 490 Q HA 0.877 5.217 4.340 -0.000 0.000 0.277 490 Q C -1.158 174.843 176.000 0.002 0.000 1.082 490 Q CA -0.982 54.848 55.803 0.045 0.000 0.810 490 Q CB 3.162 31.945 28.738 0.075 0.000 1.374 490 Q HN 0.608 nan 8.270 nan 0.000 0.422 491 V N -2.742 117.154 119.914 -0.031 0.000 3.130 491 V HA 0.978 5.098 4.120 -0.000 0.000 0.310 491 V C -0.919 175.139 176.094 -0.060 0.000 1.158 491 V CA -1.178 61.097 62.300 -0.043 0.000 1.029 491 V CB 1.616 33.414 31.823 -0.042 0.000 1.057 491 V HN 0.919 nan 8.190 nan 0.000 0.436 492 A N 1.547 124.338 122.820 -0.048 0.000 2.301 492 A HA 0.829 5.149 4.320 -0.000 0.000 0.298 492 A C -0.414 177.155 177.584 -0.024 0.000 1.185 492 A CA -0.555 51.455 52.037 -0.045 0.000 0.830 492 A CB 0.924 19.905 19.000 -0.033 0.000 1.112 492 A HN 1.366 nan 8.150 nan 0.000 0.508 493 V N 2.354 122.265 119.914 -0.005 0.000 2.555 493 V HA 0.672 4.792 4.120 -0.000 0.000 0.302 493 V C -0.041 176.074 176.094 0.036 0.000 1.038 493 V CA -0.481 61.820 62.300 0.001 0.000 0.887 493 V CB 1.465 33.275 31.823 -0.022 0.000 0.991 493 V HN 1.021 nan 8.190 nan 0.000 0.434 494 E N 2.564 122.775 120.200 0.017 0.000 2.372 494 E HA 0.531 4.881 4.350 -0.000 0.000 0.279 494 E C -1.212 175.391 176.600 0.005 0.000 0.946 494 E CA -0.745 55.674 56.400 0.032 0.000 0.769 494 E CB 2.717 32.441 29.700 0.041 0.000 1.230 494 E HN 0.643 nan 8.360 nan 0.000 0.442 495 V N 1.758 121.673 119.914 0.001 0.000 2.715 495 V HA 0.245 4.364 4.120 -0.000 0.000 0.299 495 V C 0.879 176.971 176.094 -0.003 0.000 1.054 495 V CA -0.063 62.231 62.300 -0.010 0.000 1.077 495 V CB 1.196 33.010 31.823 -0.015 0.000 0.972 495 V HN 0.783 nan 8.190 nan 0.000 0.484 496 K N 2.134 122.530 120.400 -0.007 0.000 2.288 496 K HA 0.028 4.348 4.320 -0.000 0.000 0.201 496 K C 0.725 177.323 176.600 -0.004 0.000 1.048 496 K CA 0.770 57.054 56.287 -0.004 0.000 0.956 496 K CB 0.022 32.518 32.500 -0.006 0.000 0.746 496 K HN 0.802 nan 8.250 nan 0.000 0.461 497 N N 0.357 119.053 118.700 -0.006 0.000 2.569 497 N HA 0.155 4.894 4.740 -0.000 0.000 0.254 497 N C 0.356 175.863 175.510 -0.004 0.000 1.004 497 N CA 0.056 53.103 53.050 -0.006 0.000 0.904 497 N CB 1.444 39.926 38.487 -0.009 0.000 1.165 497 N HN -0.012 nan 8.380 nan 0.000 0.513 498 A N 4.067 126.888 122.820 0.000 0.000 1.957 498 A HA -0.302 4.017 4.320 -0.000 0.000 0.224 498 A C 1.688 179.272 177.584 0.001 0.000 1.287 498 A CA 1.865 53.904 52.037 0.004 0.000 0.682 498 A CB -0.503 18.500 19.000 0.005 0.000 0.833 498 A HN 0.819 nan 8.150 nan 0.000 0.482 499 N N 0.086 118.784 118.700 -0.003 0.000 2.519 499 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 499 N C 0.537 176.042 175.510 -0.009 0.000 1.062 499 N CA 1.303 54.350 53.050 -0.005 0.000 0.910 499 N CB -0.365 38.118 38.487 -0.006 0.000 0.958 499 N HN 0.558 nan 8.380 nan 0.000 0.445 500 D N 0.873 121.266 120.400 -0.013 0.000 2.347 500 D HA 0.056 4.696 4.640 -0.000 0.000 0.213 500 D C 2.052 178.336 176.300 -0.027 0.000 0.985 500 D CA -0.078 53.909 54.000 -0.021 0.000 0.879 500 D CB 0.200 40.986 40.800 -0.024 0.000 0.919 500 D HN 0.236 nan 8.370 nan 0.000 0.526 501 L N 1.021 122.233 121.223 -0.019 0.000 2.085 501 L HA -0.229 4.111 4.340 -0.000 0.000 0.218 501 L C -0.451 176.395 176.870 -0.040 0.000 1.080 501 L CA 1.754 56.580 54.840 -0.023 0.000 0.776 501 L CB -1.717 40.349 42.059 0.012 0.000 0.891 501 L HN 0.083 nan 8.230 nan 0.000 0.437 502 P HA -0.171 nan 4.420 nan 0.000 0.216 502 P C 1.294 178.571 177.300 -0.039 0.000 1.153 502 P CA 1.388 64.472 63.100 -0.027 0.000 0.848 502 P CB 0.028 31.718 31.700 -0.016 0.000 0.787 503 K N -1.015 119.361 120.400 -0.039 0.000 2.097 503 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 503 K C 1.950 178.516 176.600 -0.056 0.000 1.050 503 K CA 0.870 57.134 56.287 -0.038 0.000 0.938 503 K CB -0.815 31.665 32.500 -0.034 0.000 0.718 503 K HN 0.067 nan 8.250 nan 0.000 0.442 504 L N 1.161 122.333 121.223 -0.085 0.000 2.005 504 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 504 L C 1.983 178.743 176.870 -0.185 0.000 1.072 504 L CA 1.564 56.323 54.840 -0.135 0.000 0.744 504 L CB -0.486 41.467 42.059 -0.177 0.000 0.895 504 L HN -0.118 nan 8.230 nan 0.000 0.433 505 V N 0.025 119.820 119.914 -0.198 0.000 2.469 505 V HA -0.249 3.871 4.120 -0.000 0.000 0.251 505 V C 2.664 178.700 176.094 -0.097 0.000 1.064 505 V CA 1.829 64.024 62.300 -0.175 0.000 1.066 505 V CB -0.767 31.003 31.823 -0.088 0.000 0.667 505 V HN 0.563 nan 8.190 nan 0.000 0.461 506 E N 0.963 121.123 120.200 -0.068 0.000 2.112 506 E HA -0.022 4.328 4.350 -0.000 0.000 0.190 506 E C 2.234 178.816 176.600 -0.030 0.000 0.979 506 E CA 1.327 57.705 56.400 -0.037 0.000 0.814 506 E CB -0.702 28.988 29.700 -0.017 0.000 0.762 506 E HN 0.418 nan 8.360 nan 0.000 0.460 507 G N 0.976 109.757 108.800 -0.032 0.000 2.422 507 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 507 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 507 G C 1.586 176.445 174.900 -0.069 0.000 1.146 507 G CA 0.949 46.048 45.100 -0.001 0.000 0.769 507 G HN 0.307 nan 8.290 nan 0.000 0.547 508 L N -0.038 121.125 121.223 -0.099 0.000 2.046 508 L HA -0.091 4.248 4.340 -0.000 0.000 0.208 508 L C 2.979 179.778 176.870 -0.119 0.000 1.077 508 L CA 1.389 56.158 54.840 -0.118 0.000 0.747 508 L CB -0.328 41.664 42.059 -0.111 0.000 0.896 508 L HN 0.194 nan 8.230 nan 0.000 0.432 509 K N -0.056 120.289 120.400 -0.092 0.000 2.026 509 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 509 K C 2.263 178.801 176.600 -0.104 0.000 1.048 509 K CA 1.296 57.529 56.287 -0.091 0.000 0.929 509 K CB -0.189 32.264 32.500 -0.080 0.000 0.713 509 K HN 0.246 nan 8.250 nan 0.000 0.439 510 R N 0.702 121.155 120.500 -0.077 0.000 2.091 510 R HA -0.145 4.194 4.340 -0.000 0.000 0.238 510 R C 2.415 178.544 176.300 -0.285 0.000 1.136 510 R CA 1.203 57.279 56.100 -0.041 0.000 0.959 510 R CB -0.472 29.889 30.300 0.102 0.000 0.856 510 R HN 0.127 nan 8.270 nan 0.000 0.437 511 L N 0.686 121.576 121.223 -0.555 0.000 2.017 511 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 511 L C 1.937 178.627 176.870 -0.300 0.000 1.073 511 L CA 1.867 56.272 54.840 -0.725 0.000 0.745 511 L CB -0.525 41.219 42.059 -0.525 0.000 0.894 511 L HN -0.020 nan 8.230 nan 0.000 0.432 512 S N -0.150 115.438 115.700 -0.187 0.000 2.356 512 S HA -0.203 4.267 4.470 -0.000 0.000 0.223 512 S C 1.866 176.418 174.600 -0.079 0.000 1.032 512 S CA 1.691 59.829 58.200 -0.102 0.000 1.005 512 S CB -0.327 62.830 63.200 -0.071 0.000 0.867 512 S HN 0.493 nan 8.310 nan 0.000 0.449 513 K N 1.456 121.809 120.400 -0.078 0.000 2.097 513 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 513 K C 2.454 179.057 176.600 0.004 0.000 1.049 513 K CA 1.589 57.856 56.287 -0.033 0.000 0.933 513 K CB -0.260 32.229 32.500 -0.017 0.000 0.717 513 K HN 0.490 nan 8.250 nan 0.000 0.442 514 S N -0.038 115.658 115.700 -0.008 0.000 2.496 514 S HA -0.038 4.432 4.470 -0.000 0.000 0.224 514 S C 0.416 174.997 174.600 -0.031 0.000 0.996 514 S CA 0.216 58.429 58.200 0.022 0.000 0.927 514 S CB 0.195 63.444 63.200 0.082 0.000 0.774 514 S HN 0.076 nan 8.310 nan 0.000 0.524 515 D N 1.359 121.717 120.400 -0.069 0.000 2.549 515 D HA 0.408 5.048 4.640 -0.000 0.000 0.251 515 D C -2.414 173.827 176.300 -0.099 0.000 1.153 515 D CA -2.137 51.798 54.000 -0.108 0.000 0.861 515 D CB 2.361 43.142 40.800 -0.031 0.000 1.207 515 D HN -0.107 nan 8.370 nan 0.000 0.543 516 P HA 0.024 nan 4.420 nan 0.000 0.217 516 P C 1.166 178.444 177.300 -0.036 0.000 1.151 516 P CA 0.552 63.601 63.100 -0.085 0.000 0.828 516 P CB 0.407 32.049 31.700 -0.096 0.000 0.788 517 C N -1.234 118.037 119.300 -0.049 0.000 2.576 517 C HA 0.225 4.685 4.460 -0.000 0.000 0.267 517 C C 1.226 176.324 174.990 0.180 0.000 1.364 517 C CA -0.231 58.802 59.018 0.025 0.000 1.723 517 C CB -1.207 26.458 27.740 -0.125 0.000 1.778 517 C HN 0.043 nan 8.230 nan 0.000 0.572 518 V N 1.780 121.780 119.914 0.145 0.000 2.567 518 V HA 0.648 4.768 4.120 -0.000 0.000 0.289 518 V C -0.655 175.474 176.094 0.058 0.000 1.049 518 V CA -0.336 62.023 62.300 0.098 0.000 0.969 518 V CB 1.616 33.431 31.823 -0.013 0.000 0.995 518 V HN 0.290 nan 8.190 nan 0.000 0.471 519 L N 5.919 127.182 121.223 0.067 0.000 2.408 519 L HA 0.902 5.242 4.340 -0.000 0.000 0.268 519 L C -0.366 176.560 176.870 0.094 0.000 0.986 519 L CA 0.247 55.147 54.840 0.100 0.000 0.820 519 L CB 2.397 44.549 42.059 0.156 0.000 1.303 519 L HN 0.871 nan 8.230 nan 0.000 0.411 520 T N 1.517 116.134 114.554 0.106 0.000 2.916 520 T HA 0.802 5.152 4.350 -0.000 0.000 0.298 520 T C -0.983 173.806 174.700 0.149 0.000 1.031 520 T CA -0.495 61.630 62.100 0.041 0.000 0.993 520 T CB 1.386 70.248 68.868 -0.009 0.000 1.045 520 T HN 0.829 nan 8.240 nan 0.000 0.454 521 Y N 0.279 120.599 120.300 0.033 0.000 2.677 521 Y HA 0.755 5.304 4.550 -0.000 0.000 0.334 521 Y C -1.196 174.714 175.900 0.017 0.000 1.196 521 Y CA -1.822 56.294 58.100 0.026 0.000 1.059 521 Y CB 1.460 39.926 38.460 0.010 0.000 1.315 521 Y HN 0.832 nan 8.280 nan 0.000 0.455 522 M N 3.596 123.276 119.600 0.134 0.000 2.144 522 M HA 0.503 4.983 4.480 -0.000 0.000 0.356 522 M C -0.068 176.296 176.300 0.107 0.000 1.217 522 M CA -0.122 55.167 55.300 -0.018 0.000 1.087 522 M CB 0.960 33.525 32.600 -0.059 0.000 1.609 522 M HN 0.841 nan 8.290 nan 0.000 0.467 523 S N 2.473 118.172 115.700 -0.002 0.000 2.614 523 S HA 0.194 4.664 4.470 -0.000 0.000 0.265 523 S C 0.851 175.478 174.600 0.045 0.000 1.303 523 S CA -0.328 57.922 58.200 0.084 0.000 1.000 523 S CB 1.060 64.270 63.200 0.017 0.000 0.935 523 S HN 0.852 nan 8.310 nan 0.000 0.551 524 E N 1.177 121.409 120.200 0.055 0.000 2.209 524 E HA -0.098 4.251 4.350 -0.000 0.000 0.196 524 E C 1.337 177.944 176.600 0.011 0.000 0.993 524 E CA 1.601 58.018 56.400 0.029 0.000 0.819 524 E CB -0.470 29.248 29.700 0.031 0.000 0.745 524 E HN 0.629 nan 8.360 nan 0.000 0.477 525 S N -1.113 114.591 115.700 0.007 0.000 2.577 525 S HA 0.300 4.769 4.470 -0.000 0.000 0.219 525 S C 0.942 175.529 174.600 -0.023 0.000 0.962 525 S CA 0.355 58.555 58.200 -0.000 0.000 0.921 525 S CB 0.621 63.830 63.200 0.015 0.000 0.789 525 S HN 0.507 nan 8.310 nan 0.000 0.497 526 G N 1.929 110.701 108.800 -0.046 0.000 2.149 526 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.235 526 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.235 526 G C -0.418 174.394 174.900 -0.147 0.000 1.018 526 G CA -0.313 44.733 45.100 -0.091 0.000 0.728 526 G HN 0.518 nan 8.290 nan 0.000 0.508 527 E N 0.164 120.276 120.200 -0.146 0.000 2.195 527 E HA 0.385 4.735 4.350 -0.000 0.000 0.271 527 E C -0.245 176.210 176.600 -0.242 0.000 0.923 527 E CA -0.981 55.323 56.400 -0.161 0.000 0.790 527 E CB 1.066 30.718 29.700 -0.080 0.000 1.155 527 E HN 0.409 nan 8.360 nan 0.000 0.402 528 H N 2.560 121.573 119.070 -0.096 0.000 2.767 528 H HA 0.143 4.699 4.556 -0.001 0.000 0.316 528 H C -0.113 175.089 175.328 -0.210 0.000 1.059 528 H CA 0.212 56.178 56.048 -0.137 0.000 1.461 528 H CB 0.515 30.220 29.762 -0.095 0.000 1.475 528 H HN 0.239 nan 8.280 nan 0.000 0.531 529 I N 4.148 124.550 120.570 -0.280 0.000 2.441 529 I HA 0.178 4.348 4.170 -0.000 0.000 0.295 529 I C 0.240 176.172 176.117 -0.308 0.000 0.994 529 I CA -0.740 60.318 61.300 -0.404 0.000 1.144 529 I CB 1.758 39.230 38.000 -0.882 0.000 1.314 529 I HN 0.186 nan 8.210 nan 0.000 0.445 530 V N 4.897 124.709 119.914 -0.170 0.000 2.487 530 V HA 0.793 4.912 4.120 -0.000 0.000 0.298 530 V C 0.043 176.105 176.094 -0.054 0.000 1.028 530 V CA -0.585 61.657 62.300 -0.097 0.000 0.860 530 V CB 1.746 33.522 31.823 -0.078 0.000 0.991 530 V HN 0.904 nan 8.190 nan 0.000 0.427 531 A N 3.458 126.279 122.820 0.001 0.000 2.386 531 A HA 0.981 5.300 4.320 -0.000 0.000 0.311 531 A C -0.004 177.616 177.584 0.060 0.000 1.068 531 A CA -0.141 51.930 52.037 0.056 0.000 0.743 531 A CB 1.876 20.959 19.000 0.139 0.000 1.258 531 A HN 1.093 nan 8.150 nan 0.000 0.429 532 G N -0.442 108.407 108.800 0.081 0.000 2.569 532 G HA2 0.479 4.439 3.960 -0.000 0.000 0.300 532 G HA3 0.479 4.439 3.960 -0.000 0.000 0.300 532 G C 0.509 175.571 174.900 0.271 0.000 1.269 532 G CA 0.264 45.464 45.100 0.167 0.000 0.959 532 G HN 0.533 nan 8.290 nan 0.000 0.478 533 T N -0.156 114.654 114.554 0.425 0.000 2.720 533 T HA 0.106 4.456 4.350 -0.000 0.000 0.268 533 T C 1.165 175.979 174.700 0.190 0.000 1.037 533 T CA 1.996 64.221 62.100 0.208 0.000 1.144 533 T CB -0.320 68.556 68.868 0.012 0.000 0.864 533 T HN 0.932 nan 8.240 nan 0.000 0.444 534 G N -0.785 108.143 108.800 0.214 0.000 2.708 534 G HA2 0.492 4.452 3.960 -0.000 0.000 0.289 534 G HA3 0.492 4.452 3.960 -0.000 0.000 0.289 534 G C -0.155 174.836 174.900 0.151 0.000 1.416 534 G CA -0.566 44.636 45.100 0.170 0.000 0.829 534 G HN 0.039 nan 8.290 nan 0.000 0.480 535 E N -0.499 119.772 120.200 0.118 0.000 2.097 535 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 535 E C 2.360 179.003 176.600 0.070 0.000 1.000 535 E CA 1.148 57.596 56.400 0.081 0.000 0.804 535 E CB -0.051 29.689 29.700 0.066 0.000 0.740 535 E HN 0.313 nan 8.360 nan 0.000 0.454 536 L N 0.434 121.710 121.223 0.087 0.000 2.027 536 L HA -0.171 4.168 4.340 -0.000 0.000 0.206 536 L C 2.250 179.182 176.870 0.103 0.000 1.074 536 L CA 2.030 56.917 54.840 0.079 0.000 0.745 536 L CB -0.737 41.369 42.059 0.078 0.000 0.898 536 L HN 0.307 nan 8.230 nan 0.000 0.433 537 H N -1.073 118.011 119.070 0.023 0.000 2.319 537 H HA -0.208 4.348 4.556 -0.000 0.000 0.299 537 H C 2.192 177.528 175.328 0.013 0.000 1.092 537 H CA 2.024 58.080 56.048 0.013 0.000 1.302 537 H CB 0.096 29.866 29.762 0.014 0.000 1.373 537 H HN 0.367 nan 8.280 nan 0.000 0.497 538 L N 1.642 122.826 121.223 -0.064 0.000 2.079 538 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 538 L C 2.502 179.314 176.870 -0.096 0.000 1.081 538 L CA 2.177 56.937 54.840 -0.132 0.000 0.752 538 L CB -0.756 41.284 42.059 -0.033 0.000 0.896 538 L HN 0.414 nan 8.230 nan 0.000 0.433 539 E N -0.528 119.648 120.200 -0.040 0.000 2.072 539 E HA -0.222 4.127 4.350 -0.000 0.000 0.191 539 E C 2.131 178.712 176.600 -0.032 0.000 0.985 539 E CA 1.483 57.867 56.400 -0.026 0.000 0.801 539 E CB -0.031 29.668 29.700 -0.003 0.000 0.750 539 E HN 0.491 nan 8.360 nan 0.000 0.452 540 I N 1.400 121.952 120.570 -0.031 0.000 2.127 540 I HA -0.309 3.861 4.170 -0.000 0.000 0.241 540 I C 2.685 178.779 176.117 -0.038 0.000 1.075 540 I CA 0.828 62.115 61.300 -0.021 0.000 1.334 540 I CB -1.725 36.282 38.000 0.011 0.000 1.040 540 I HN 0.375 nan 8.210 nan 0.000 0.405 541 C N 0.881 120.116 119.300 -0.108 0.000 2.398 541 C HA -0.181 4.279 4.460 -0.000 0.000 0.276 541 C C 3.004 177.974 174.990 -0.032 0.000 1.222 541 C CA 0.696 59.651 59.018 -0.104 0.000 1.746 541 C CB -1.223 26.369 27.740 -0.246 0.000 2.039 541 C HN 0.467 nan 8.230 nan 0.000 0.470 542 L N 0.011 121.207 121.223 -0.045 0.000 2.093 542 L HA -0.203 4.136 4.340 -0.000 0.000 0.208 542 L C 2.783 179.658 176.870 0.008 0.000 1.085 542 L CA 1.481 56.309 54.840 -0.019 0.000 0.755 542 L CB -0.779 41.263 42.059 -0.028 0.000 0.904 542 L HN 0.499 nan 8.230 nan 0.000 0.435 543 Q N -0.098 119.703 119.800 0.003 0.000 2.020 543 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 543 Q C 1.866 177.887 176.000 0.035 0.000 0.982 543 Q CA 1.665 57.475 55.803 0.012 0.000 0.838 543 Q CB -0.138 28.592 28.738 -0.014 0.000 0.899 543 Q HN 0.448 nan 8.270 nan 0.000 0.423 544 D N 0.650 121.069 120.400 0.032 0.000 2.144 544 D HA -0.149 4.491 4.640 -0.000 0.000 0.199 544 D C 1.904 178.264 176.300 0.101 0.000 0.984 544 D CA 0.724 54.739 54.000 0.025 0.000 0.834 544 D CB -0.184 40.652 40.800 0.060 0.000 0.955 544 D HN 0.096 nan 8.370 nan 0.000 0.465 545 L N 1.285 122.628 121.223 0.199 0.000 1.994 545 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 545 L C 2.211 179.137 176.870 0.092 0.000 1.071 545 L CA 1.954 56.912 54.840 0.196 0.000 0.745 545 L CB -0.637 41.467 42.059 0.074 0.000 0.892 545 L HN -0.044 nan 8.230 nan 0.000 0.431 546 E N -1.706 118.526 120.200 0.054 0.000 2.051 546 E HA -0.301 4.049 4.350 -0.000 0.000 0.192 546 E C 2.339 178.954 176.600 0.023 0.000 0.991 546 E CA 1.348 57.765 56.400 0.028 0.000 0.799 546 E CB -0.357 29.359 29.700 0.026 0.000 0.748 546 E HN 0.694 nan 8.360 nan 0.000 0.449 547 H N -0.062 118.985 119.070 -0.040 0.000 2.333 547 H HA -0.070 4.485 4.556 -0.000 0.000 0.302 547 H C 1.090 176.369 175.328 -0.082 0.000 1.075 547 H CA 1.829 57.843 56.048 -0.057 0.000 1.348 547 H CB 0.386 30.112 29.762 -0.061 0.000 1.393 547 H HN 0.260 nan 8.280 nan 0.000 0.509 548 D N -0.682 119.717 120.400 -0.001 0.000 2.844 548 D HA -0.031 4.609 4.640 -0.000 0.000 0.271 548 D C 2.214 178.445 176.300 -0.114 0.000 1.386 548 D CA 0.022 53.952 54.000 -0.116 0.000 1.053 548 D CB -0.697 39.956 40.800 -0.245 0.000 1.107 548 D HN 0.360 nan 8.370 nan 0.000 0.395 549 H N 1.275 120.346 119.070 0.001 0.000 2.304 549 H HA -0.177 4.379 4.556 -0.000 0.000 0.287 549 H C 1.753 177.065 175.328 -0.027 0.000 1.112 549 H CA 2.146 58.188 56.048 -0.011 0.000 1.200 549 H CB -0.300 29.454 29.762 -0.013 0.000 1.349 549 H HN 0.225 nan 8.280 nan 0.000 0.477 550 A N -0.667 122.203 122.820 0.084 0.000 2.013 550 A HA 0.376 4.696 4.320 -0.000 0.000 0.204 550 A C 1.874 179.442 177.584 -0.027 0.000 1.262 550 A CA 0.948 52.993 52.037 0.013 0.000 0.800 550 A CB -0.097 18.899 19.000 -0.006 0.000 0.909 550 A HN 0.529 nan 8.150 nan 0.000 0.472 551 G N -0.467 108.304 108.800 -0.049 0.000 2.338 551 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.296 551 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.296 551 G C -0.184 174.664 174.900 -0.087 0.000 1.040 551 G CA 0.519 45.556 45.100 -0.105 0.000 1.004 551 G HN 1.196 nan 8.290 nan 0.000 0.509 552 V N -0.599 119.278 119.914 -0.062 0.000 3.048 552 V HA 0.480 4.600 4.120 -0.000 0.000 0.303 552 V C -2.330 173.742 176.094 -0.037 0.000 1.214 552 V CA -1.711 60.559 62.300 -0.050 0.000 0.984 552 V CB 2.605 34.403 31.823 -0.041 0.000 1.054 552 V HN 0.100 nan 8.190 nan 0.000 0.430 553 P HA 0.186 nan 4.420 nan 0.000 0.261 553 P C -0.951 176.338 177.300 -0.018 0.000 1.183 553 P CA 0.535 63.623 63.100 -0.020 0.000 0.761 553 P CB 0.231 31.920 31.700 -0.017 0.000 0.785 554 L N 3.178 124.393 121.223 -0.014 0.000 2.333 554 L HA 0.555 4.894 4.340 -0.000 0.000 0.269 554 L C 0.511 177.375 176.870 -0.010 0.000 1.010 554 L CA -0.937 53.894 54.840 -0.014 0.000 0.818 554 L CB 2.014 44.063 42.059 -0.017 0.000 1.306 554 L HN 0.225 nan 8.230 nan 0.000 0.430 555 K N 2.545 122.940 120.400 -0.009 0.000 2.323 555 K HA 0.542 4.861 4.320 -0.000 0.000 0.259 555 K C -1.298 175.297 176.600 -0.009 0.000 0.947 555 K CA -0.609 55.674 56.287 -0.007 0.000 0.819 555 K CB 1.286 33.784 32.500 -0.003 0.000 1.109 555 K HN 0.357 nan 8.250 nan 0.000 0.429 556 I N 3.140 123.703 120.570 -0.012 0.000 2.460 556 I HA 0.382 4.552 4.170 -0.000 0.000 0.298 556 I C -0.064 176.041 176.117 -0.019 0.000 0.989 556 I CA -0.311 60.979 61.300 -0.018 0.000 1.173 556 I CB 1.187 39.174 38.000 -0.021 0.000 1.338 556 I HN 0.864 nan 8.210 nan 0.000 0.456 557 S N 5.310 120.996 115.700 -0.023 0.000 2.611 557 S HA 0.695 5.165 4.470 -0.000 0.000 0.268 557 S C -3.187 171.395 174.600 -0.029 0.000 1.156 557 S CA -1.159 57.026 58.200 -0.024 0.000 0.817 557 S CB 1.801 64.993 63.200 -0.015 0.000 1.122 557 S HN 0.267 nan 8.310 nan 0.000 0.466 558 P HA 0.470 nan 4.420 nan 0.000 0.274 558 P C -2.563 174.731 177.300 -0.011 0.000 1.260 558 P CA -0.925 62.156 63.100 -0.030 0.000 0.793 558 P CB -0.183 31.499 31.700 -0.030 0.000 1.048 559 P HA 0.235 nan 4.420 nan 0.000 0.306 559 P C -1.091 176.235 177.300 0.043 0.000 1.399 559 P CA -0.470 62.639 63.100 0.015 0.000 0.992 559 P CB 1.201 32.914 31.700 0.022 0.000 1.148 560 V N 3.139 123.083 119.914 0.050 0.000 2.655 560 V HA 0.035 4.155 4.120 -0.000 0.000 0.300 560 V C 0.685 176.827 176.094 0.080 0.000 1.044 560 V CA 0.064 62.415 62.300 0.086 0.000 1.095 560 V CB 1.144 33.023 31.823 0.094 0.000 0.952 560 V HN 0.268 nan 8.190 nan 0.000 0.485 561 V N 4.929 124.910 119.914 0.111 0.000 2.509 561 V HA 0.610 4.730 4.120 -0.000 0.000 0.284 561 V C 0.584 176.647 176.094 -0.051 0.000 1.047 561 V CA -0.473 61.815 62.300 -0.020 0.000 0.952 561 V CB 1.435 33.217 31.823 -0.070 0.000 0.988 561 V HN 1.008 nan 8.190 nan 0.000 0.469 562 A N 4.680 127.425 122.820 -0.126 0.000 2.327 562 A HA 0.773 5.093 4.320 -0.000 0.000 0.283 562 A C -1.052 176.494 177.584 -0.063 0.000 1.127 562 A CA -0.174 51.874 52.037 0.018 0.000 0.810 562 A CB 0.318 19.376 19.000 0.097 0.000 1.066 562 A HN 0.734 nan 8.150 nan 0.000 0.492 563 Y N 0.212 120.679 120.300 0.277 0.000 2.633 563 Y HA 0.740 5.290 4.550 -0.000 0.000 0.339 563 Y C 0.363 176.249 175.900 -0.023 0.000 1.045 563 Y CA -0.798 57.489 58.100 0.311 0.000 1.098 563 Y CB 1.630 40.334 38.460 0.406 0.000 1.296 563 Y HN 0.643 nan 8.280 nan 0.000 0.494 564 R N 0.655 121.175 120.500 0.032 0.000 2.740 564 R HA 0.423 4.763 4.340 -0.000 0.000 0.282 564 R C -1.460 174.849 176.300 0.015 0.000 0.969 564 R CA -1.169 54.792 56.100 -0.232 0.000 0.918 564 R CB 1.418 31.321 30.300 -0.661 0.000 1.175 564 R HN 0.657 nan 8.270 nan 0.000 0.464 565 E N 0.657 120.856 120.200 -0.002 0.000 2.129 565 E HA 0.353 4.702 4.350 -0.000 0.000 0.268 565 E C -0.631 176.154 176.600 0.307 0.000 0.900 565 E CA -0.337 56.167 56.400 0.174 0.000 0.755 565 E CB 2.102 31.817 29.700 0.025 0.000 1.117 565 E HN 0.398 nan 8.360 nan 0.000 0.410 566 T N 0.960 115.718 114.554 0.339 0.000 2.742 566 T HA 0.601 4.951 4.350 -0.000 0.000 0.282 566 T C -1.242 173.422 174.700 -0.061 0.000 1.025 566 T CA -0.652 61.583 62.100 0.225 0.000 1.020 566 T CB 1.512 70.437 68.868 0.094 0.000 1.317 566 T HN 0.243 nan 8.240 nan 0.000 0.538 567 V N 0.757 120.575 119.914 -0.161 0.000 2.680 567 V HA 0.736 4.855 4.120 -0.000 0.000 0.309 567 V C 0.530 176.541 176.094 -0.139 0.000 1.052 567 V CA -0.612 61.504 62.300 -0.306 0.000 0.908 567 V CB 1.629 33.234 31.823 -0.363 0.000 1.001 567 V HN 0.928 nan 8.190 nan 0.000 0.431 568 E N 2.441 122.562 120.200 -0.131 0.000 2.340 568 E HA 0.215 4.565 4.350 -0.000 0.000 0.194 568 E C 0.763 177.319 176.600 -0.073 0.000 0.996 568 E CA 0.978 57.334 56.400 -0.074 0.000 0.869 568 E CB 0.405 30.072 29.700 -0.056 0.000 0.835 568 E HN 1.119 nan 8.360 nan 0.000 0.493 569 S N -1.787 113.853 115.700 -0.100 0.000 2.752 569 S HA 0.326 4.795 4.470 -0.000 0.000 0.284 569 S C -0.534 174.000 174.600 -0.109 0.000 1.189 569 S CA -1.092 57.054 58.200 -0.091 0.000 0.835 569 S CB 1.089 64.239 63.200 -0.083 0.000 1.192 569 S HN 0.097 nan 8.310 nan 0.000 0.506 570 E N 0.653 120.792 120.200 -0.101 0.000 2.392 570 E HA 0.370 4.720 4.350 -0.000 0.000 0.259 570 E C -0.587 175.940 176.600 -0.122 0.000 1.108 570 E CA -0.440 55.897 56.400 -0.105 0.000 0.916 570 E CB 0.624 30.266 29.700 -0.097 0.000 0.989 570 E HN 0.586 nan 8.360 nan 0.000 0.432 571 S N 1.609 117.236 115.700 -0.121 0.000 2.546 571 S HA -0.071 4.399 4.470 -0.000 0.000 0.290 571 S C 1.173 175.673 174.600 -0.166 0.000 1.290 571 S CA 0.244 58.353 58.200 -0.151 0.000 1.069 571 S CB 0.769 63.897 63.200 -0.120 0.000 0.846 571 S HN 0.625 nan 8.310 nan 0.000 0.495 572 S N 1.878 117.447 115.700 -0.218 0.000 2.500 572 S HA -0.106 4.364 4.470 -0.000 0.000 0.239 572 S C 0.439 174.921 174.600 -0.196 0.000 0.989 572 S CA 0.477 58.557 58.200 -0.201 0.000 0.951 572 S CB -0.532 62.532 63.200 -0.227 0.000 0.759 572 S HN 0.879 nan 8.310 nan 0.000 0.523 573 Q N -1.463 118.204 119.800 -0.221 0.000 2.594 573 Q HA 0.348 4.688 4.340 -0.000 0.000 0.278 573 Q C -1.525 174.417 176.000 -0.096 0.000 0.961 573 Q CA -0.932 54.776 55.803 -0.158 0.000 0.844 573 Q CB 0.215 28.830 28.738 -0.206 0.000 1.475 573 Q HN -0.031 nan 8.270 nan 0.000 0.389 574 T N 1.685 116.242 114.554 0.007 0.000 2.891 574 T HA 0.269 4.619 4.350 -0.000 0.000 0.296 574 T C 0.071 174.886 174.700 0.192 0.000 1.025 574 T CA 0.922 63.080 62.100 0.097 0.000 1.149 574 T CB 0.175 69.144 68.868 0.167 0.000 1.007 574 T HN 0.590 nan 8.240 nan 0.000 0.528 575 A N 3.576 126.495 122.820 0.165 0.000 2.328 575 A HA 0.643 4.962 4.320 -0.000 0.000 0.284 575 A C -0.427 177.218 177.584 0.102 0.000 1.160 575 A CA -0.611 51.570 52.037 0.240 0.000 0.818 575 A CB 0.318 19.409 19.000 0.153 0.000 1.087 575 A HN 0.691 nan 8.150 nan 0.000 0.504 576 L N 2.270 123.442 121.223 -0.085 0.000 2.381 576 L HA 0.769 5.109 4.340 -0.000 0.000 0.274 576 L C -0.537 176.027 176.870 -0.509 0.000 0.988 576 L CA 0.276 54.816 54.840 -0.501 0.000 0.824 576 L CB 2.031 43.684 42.059 -0.676 0.000 1.263 576 L HN 0.566 nan 8.230 nan 0.000 0.410 577 S N 3.682 119.167 115.700 -0.360 0.000 2.546 577 S HA 0.707 5.177 4.470 -0.000 0.000 0.274 577 S C -1.376 173.108 174.600 -0.194 0.000 1.121 577 S CA -0.991 57.080 58.200 -0.216 0.000 0.887 577 S CB 2.033 65.186 63.200 -0.079 0.000 1.094 577 S HN 0.698 nan 8.310 nan 0.000 0.474 578 K N -0.294 120.026 120.400 -0.134 0.000 2.306 578 K HA 0.759 5.078 4.320 -0.000 0.000 0.236 578 K C -0.230 176.345 176.600 -0.042 0.000 1.013 578 K CA -0.711 55.521 56.287 -0.090 0.000 0.857 578 K CB 1.297 33.742 32.500 -0.091 0.000 1.214 578 K HN 0.583 nan 8.250 nan 0.000 0.449 579 S N -0.024 115.670 115.700 -0.010 0.000 2.645 579 S HA 0.202 4.672 4.470 -0.000 0.000 0.266 579 S C -1.941 172.663 174.600 0.007 0.000 1.258 579 S CA -1.159 57.049 58.200 0.012 0.000 0.990 579 S CB 1.053 64.279 63.200 0.044 0.000 0.967 579 S HN 0.475 nan 8.310 nan 0.000 0.556 580 P HA -0.115 nan 4.420 nan 0.000 0.216 580 P C 0.906 178.206 177.300 -0.000 0.000 1.153 580 P CA 1.494 64.594 63.100 -0.000 0.000 0.858 580 P CB -0.232 31.470 31.700 0.004 0.000 0.789 581 N N -1.005 117.710 118.700 0.024 0.000 2.205 581 N HA -0.151 4.588 4.740 -0.000 0.000 0.186 581 N C 0.516 176.083 175.510 0.094 0.000 1.015 581 N CA 0.939 54.040 53.050 0.085 0.000 0.862 581 N CB -0.170 38.403 38.487 0.144 0.000 0.986 581 N HN 0.036 nan 8.380 nan 0.000 0.429 582 K N -2.579 117.829 120.400 0.013 0.000 3.509 582 K HA -0.231 4.088 4.320 -0.000 0.000 0.302 582 K C -0.110 176.396 176.600 -0.156 0.000 1.355 582 K CA 0.929 57.161 56.287 -0.091 0.000 0.953 582 K CB -1.486 30.925 32.500 -0.149 0.000 1.321 582 K HN 0.462 nan 8.250 nan 0.000 0.461 583 H N 0.049 119.117 119.070 -0.003 0.000 2.547 583 H HA 0.179 4.734 4.556 -0.000 0.000 0.272 583 H C 0.534 175.911 175.328 0.082 0.000 0.971 583 H CA 0.422 56.499 56.048 0.049 0.000 1.245 583 H CB 0.304 30.091 29.762 0.043 0.000 1.440 583 H HN 0.167 nan 8.280 nan 0.000 0.540 584 N N 1.298 120.094 118.700 0.160 0.000 2.361 584 N HA 0.381 5.120 4.740 -0.000 0.000 0.302 584 N C -0.620 174.916 175.510 0.044 0.000 1.074 584 N CA -0.431 52.691 53.050 0.121 0.000 0.850 584 N CB 2.472 41.032 38.487 0.121 0.000 1.228 584 N HN 0.147 nan 8.380 nan 0.000 0.491 585 R N 1.186 121.707 120.500 0.034 0.000 2.673 585 R HA 0.581 4.921 4.340 -0.000 0.000 0.281 585 R C -0.731 175.526 176.300 -0.070 0.000 0.991 585 R CA -0.653 55.400 56.100 -0.078 0.000 0.896 585 R CB 2.182 32.389 30.300 -0.155 0.000 1.201 585 R HN 0.475 nan 8.270 nan 0.000 0.457 586 I N 2.593 123.064 120.570 -0.166 0.000 2.474 586 I HA 0.359 4.529 4.170 -0.000 0.000 0.294 586 I C -1.061 174.930 176.117 -0.210 0.000 1.005 586 I CA -0.870 60.384 61.300 -0.077 0.000 1.113 586 I CB 1.592 39.577 38.000 -0.025 0.000 1.289 586 I HN 0.465 nan 8.210 nan 0.000 0.436 587 Y N 6.991 127.280 120.300 -0.018 0.000 2.328 587 Y HA 0.610 5.159 4.550 -0.000 0.000 0.337 587 Y C -0.293 175.591 175.900 -0.026 0.000 0.966 587 Y CA -0.875 57.216 58.100 -0.015 0.000 1.136 587 Y CB 1.486 39.937 38.460 -0.014 0.000 1.170 587 Y HN 0.353 nan 8.280 nan 0.000 0.470 588 L N 0.229 121.515 121.223 0.104 0.000 2.600 588 L HA 0.804 5.144 4.340 -0.000 0.000 0.257 588 L C -1.596 175.295 176.870 0.035 0.000 1.048 588 L CA -1.487 53.379 54.840 0.044 0.000 0.869 588 L CB 2.177 44.239 42.059 0.006 0.000 1.482 588 L HN 0.324 nan 8.230 nan 0.000 0.408 589 K N 0.281 120.681 120.400 -0.001 0.000 2.469 589 K HA 0.916 5.235 4.320 -0.000 0.000 0.254 589 K C -1.397 175.190 176.600 -0.021 0.000 0.939 589 K CA -0.741 55.535 56.287 -0.017 0.000 0.812 589 K CB 2.509 34.985 32.500 -0.040 0.000 1.301 589 K HN 0.987 nan 8.250 nan 0.000 0.433 590 A N 1.850 124.657 122.820 -0.021 0.000 2.355 590 A HA 0.646 4.966 4.320 -0.000 0.000 0.324 590 A C -1.106 176.448 177.584 -0.051 0.000 1.117 590 A CA -0.526 51.509 52.037 -0.004 0.000 0.785 590 A CB 0.941 19.966 19.000 0.042 0.000 1.254 590 A HN 0.836 nan 8.150 nan 0.000 0.453 591 E N 0.872 121.046 120.200 -0.043 0.000 2.392 591 E HA 0.600 4.950 4.350 -0.000 0.000 0.279 591 E C -3.159 173.417 176.600 -0.040 0.000 0.964 591 E CA -2.217 54.141 56.400 -0.069 0.000 0.777 591 E CB 1.684 31.325 29.700 -0.099 0.000 1.249 591 E HN 0.269 nan 8.360 nan 0.000 0.449 592 P HA 0.131 nan 4.420 nan 0.000 0.268 592 P C -0.637 176.673 177.300 0.018 0.000 1.205 592 P CA 0.072 63.166 63.100 -0.010 0.000 0.771 592 P CB 0.470 32.158 31.700 -0.020 0.000 0.858 593 I N 1.934 122.545 120.570 0.069 0.000 2.392 593 I HA 0.184 4.353 4.170 -0.000 0.000 0.295 593 I C 0.901 177.087 176.117 0.116 0.000 0.985 593 I CA -0.670 60.707 61.300 0.128 0.000 1.221 593 I CB 0.902 39.004 38.000 0.170 0.000 1.366 593 I HN 0.288 nan 8.210 nan 0.000 0.467 594 D N 5.344 125.832 120.400 0.145 0.000 2.443 594 D HA -0.077 4.562 4.640 -0.000 0.000 0.239 594 D C 1.046 177.420 176.300 0.124 0.000 1.136 594 D CA 0.217 54.296 54.000 0.131 0.000 0.879 594 D CB 1.189 42.093 40.800 0.173 0.000 1.195 594 D HN 0.498 nan 8.370 nan 0.000 0.443 595 E N 2.456 122.718 120.200 0.103 0.000 2.070 595 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 595 E C 1.502 178.168 176.600 0.110 0.000 1.004 595 E CA 0.953 57.411 56.400 0.097 0.000 0.805 595 E CB 0.096 29.841 29.700 0.075 0.000 0.744 595 E HN 0.577 nan 8.360 nan 0.000 0.451 596 E N 0.228 120.511 120.200 0.139 0.000 2.160 596 E HA -0.134 4.215 4.350 -0.000 0.000 0.195 596 E C 2.124 178.815 176.600 0.150 0.000 0.991 596 E CA 0.684 57.198 56.400 0.190 0.000 0.810 596 E CB 0.110 29.976 29.700 0.277 0.000 0.742 596 E HN 0.097 nan 8.360 nan 0.000 0.466 597 V N 0.234 120.198 119.914 0.082 0.000 2.407 597 V HA -0.152 3.967 4.120 -0.000 0.000 0.245 597 V C 2.368 178.433 176.094 -0.048 0.000 1.041 597 V CA 1.383 63.612 62.300 -0.120 0.000 1.040 597 V CB -0.276 31.535 31.823 -0.019 0.000 0.671 597 V HN 0.153 nan 8.190 nan 0.000 0.455 598 S N 0.326 116.054 115.700 0.047 0.000 2.356 598 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 598 S C 1.917 176.561 174.600 0.073 0.000 1.032 598 S CA 1.373 59.615 58.200 0.070 0.000 1.005 598 S CB -0.375 62.879 63.200 0.090 0.000 0.867 598 S HN 0.313 nan 8.310 nan 0.000 0.449 599 L N 1.678 122.949 121.223 0.081 0.000 2.042 599 L HA -0.048 4.292 4.340 -0.000 0.000 0.210 599 L C 2.598 179.505 176.870 0.061 0.000 1.076 599 L CA 1.742 56.635 54.840 0.089 0.000 0.749 599 L CB -1.443 40.673 42.059 0.096 0.000 0.893 599 L HN 0.310 nan 8.230 nan 0.000 0.432 600 A N -0.768 122.064 122.820 0.020 0.000 1.933 600 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 600 A C 2.325 179.897 177.584 -0.019 0.000 1.175 600 A CA 1.838 53.862 52.037 -0.020 0.000 0.628 600 A CB -0.639 18.244 19.000 -0.194 0.000 0.814 600 A HN 0.409 nan 8.150 nan 0.000 0.444 601 I N -0.829 119.739 120.570 -0.002 0.000 2.193 601 I HA -0.218 3.951 4.170 -0.000 0.000 0.240 601 I C 2.478 178.624 176.117 0.047 0.000 1.084 601 I CA 1.509 62.837 61.300 0.048 0.000 1.365 601 I CB -0.439 37.645 38.000 0.140 0.000 1.064 601 I HN 0.366 nan 8.210 nan 0.000 0.410 602 E N 0.799 121.041 120.200 0.070 0.000 2.118 602 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 602 E C 1.299 177.936 176.600 0.061 0.000 0.992 602 E CA 1.055 57.503 56.400 0.080 0.000 0.804 602 E CB -0.048 29.724 29.700 0.120 0.000 0.741 602 E HN 0.453 nan 8.360 nan 0.000 0.458 603 N N -1.003 117.729 118.700 0.053 0.000 2.270 603 N HA 0.047 4.787 4.740 -0.000 0.000 0.198 603 N C 0.669 176.194 175.510 0.026 0.000 1.117 603 N CA 0.818 53.894 53.050 0.044 0.000 0.845 603 N CB 1.658 40.177 38.487 0.053 0.000 0.980 603 N HN 0.261 nan 8.380 nan 0.000 0.486 604 G N 0.805 109.611 108.800 0.010 0.000 2.179 604 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.220 604 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.220 604 G C 0.818 175.717 174.900 -0.002 0.000 0.990 604 G CA -0.082 45.015 45.100 -0.004 0.000 0.646 604 G HN 0.233 nan 8.290 nan 0.000 0.517 605 I N 0.638 121.213 120.570 0.008 0.000 2.400 605 I HA 0.312 4.482 4.170 -0.000 0.000 0.248 605 I C 1.379 177.491 176.117 -0.009 0.000 1.109 605 I CA 0.910 62.223 61.300 0.021 0.000 1.425 605 I CB 0.067 38.109 38.000 0.070 0.000 1.094 605 I HN 0.242 nan 8.210 nan 0.000 0.425 606 I N 2.170 122.715 120.570 -0.041 0.000 2.354 606 I HA 0.237 4.406 4.170 -0.000 0.000 0.286 606 I C -0.724 175.358 176.117 -0.057 0.000 1.007 606 I CA -0.343 60.930 61.300 -0.044 0.000 1.167 606 I CB 0.353 38.300 38.000 -0.087 0.000 1.320 606 I HN 0.140 nan 8.210 nan 0.000 0.458 607 N N 7.598 126.234 118.700 -0.107 0.000 2.314 607 N HA 0.343 5.082 4.740 -0.000 0.000 0.304 607 N C -2.133 173.108 175.510 -0.449 0.000 1.073 607 N CA -1.567 51.330 53.050 -0.254 0.000 0.822 607 N CB 2.077 40.473 38.487 -0.153 0.000 1.280 607 N HN 0.147 nan 8.380 nan 0.000 0.489 608 P HA -0.078 nan 4.420 nan 0.000 0.216 608 P C 0.866 178.003 177.300 -0.271 0.000 1.150 608 P CA 1.364 63.956 63.100 -0.847 0.000 0.843 608 P CB 0.394 31.694 31.700 -0.666 0.000 0.787 609 R N -1.115 119.277 120.500 -0.181 0.000 2.317 609 R HA 0.167 4.506 4.340 -0.000 0.000 0.208 609 R C 0.222 176.505 176.300 -0.027 0.000 0.914 609 R CA 0.070 56.128 56.100 -0.070 0.000 1.060 609 R CB -1.057 29.207 30.300 -0.060 0.000 1.015 609 R HN 0.310 nan 8.270 nan 0.000 0.498 610 D N 1.671 122.049 120.400 -0.036 0.000 2.362 610 D HA -0.073 4.567 4.640 -0.000 0.000 0.238 610 D C -0.070 176.261 176.300 0.051 0.000 1.212 610 D CA 0.140 54.139 54.000 -0.002 0.000 0.902 610 D CB 0.550 41.343 40.800 -0.012 0.000 1.180 610 D HN 0.007 nan 8.370 nan 0.000 0.445 611 D N -0.046 120.378 120.400 0.040 0.000 2.434 611 D HA -0.084 4.556 4.640 -0.000 0.000 0.252 611 D C 1.316 177.646 176.300 0.049 0.000 1.185 611 D CA -0.220 53.821 54.000 0.067 0.000 0.886 611 D CB 0.013 40.812 40.800 -0.003 0.000 1.148 611 D HN 0.348 nan 8.370 nan 0.000 0.483 612 F N 3.707 123.677 119.950 0.033 0.000 2.192 612 F HA -0.162 4.365 4.527 -0.000 0.000 0.301 612 F C 1.911 177.733 175.800 0.038 0.000 1.079 612 F CA 1.115 59.143 58.000 0.047 0.000 1.303 612 F CB -0.284 38.753 39.000 0.061 0.000 1.024 612 F HN 0.357 nan 8.300 nan 0.000 0.494 613 K N 1.110 120.798 120.400 -1.187 0.000 1.991 613 K HA -0.029 4.290 4.320 -0.000 0.000 0.207 613 K C 2.421 178.809 176.600 -0.354 0.000 1.045 613 K CA 1.214 56.958 56.287 -0.905 0.000 0.937 613 K CB -0.613 31.408 32.500 -0.797 0.000 0.720 613 K HN 0.306 nan 8.250 nan 0.000 0.438 614 A N 1.653 124.330 122.820 -0.237 0.000 1.933 614 A HA -0.196 4.123 4.320 -0.000 0.000 0.218 614 A C 2.170 179.709 177.584 -0.075 0.000 1.175 614 A CA 1.692 53.659 52.037 -0.118 0.000 0.628 614 A CB -0.620 18.333 19.000 -0.078 0.000 0.814 614 A HN 0.452 nan 8.150 nan 0.000 0.444 615 R N -0.345 120.114 120.500 -0.069 0.000 2.081 615 R HA -0.097 4.242 4.340 -0.000 0.000 0.235 615 R C 2.247 178.523 176.300 -0.039 0.000 1.131 615 R CA 1.491 57.574 56.100 -0.029 0.000 0.960 615 R CB -0.418 29.892 30.300 0.015 0.000 0.856 615 R HN 0.419 nan 8.270 nan 0.000 0.436 616 A N 1.055 123.846 122.820 -0.049 0.000 1.972 616 A HA -0.098 4.221 4.320 -0.000 0.000 0.219 616 A C 2.116 179.700 177.584 0.001 0.000 1.169 616 A CA 0.924 52.949 52.037 -0.020 0.000 0.635 616 A CB -0.404 18.602 19.000 0.010 0.000 0.810 616 A HN 0.234 nan 8.150 nan 0.000 0.446 617 R N -0.439 120.048 120.500 -0.022 0.000 2.096 617 R HA -0.034 4.306 4.340 -0.000 0.000 0.235 617 R C 1.980 178.301 176.300 0.034 0.000 1.127 617 R CA 1.354 57.455 56.100 0.002 0.000 0.968 617 R CB -0.592 29.695 30.300 -0.022 0.000 0.861 617 R HN 0.641 nan 8.270 nan 0.000 0.440 618 I N 0.520 121.112 120.570 0.037 0.000 2.163 618 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 618 I C 2.496 178.719 176.117 0.177 0.000 1.081 618 I CA 1.256 62.612 61.300 0.094 0.000 1.353 618 I CB -0.218 37.839 38.000 0.094 0.000 1.054 618 I HN 0.120 nan 8.210 nan 0.000 0.407 619 M N 0.181 119.832 119.600 0.085 0.000 2.149 619 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 619 M C 2.421 178.851 176.300 0.218 0.000 1.064 619 M CA 1.968 57.294 55.300 0.042 0.000 1.102 619 M CB -0.501 31.886 32.600 -0.356 0.000 1.369 619 M HN 0.339 nan 8.290 nan 0.000 0.408 620 A N 0.365 123.293 122.820 0.180 0.000 1.850 620 A HA -0.111 4.209 4.320 -0.000 0.000 0.212 620 A C 1.711 179.383 177.584 0.146 0.000 1.208 620 A CA 1.476 53.636 52.037 0.204 0.000 0.609 620 A CB -0.527 18.561 19.000 0.148 0.000 0.860 620 A HN 0.342 nan 8.150 nan 0.000 0.448 621 D N 0.249 120.707 120.400 0.096 0.000 2.183 621 D HA -0.075 4.564 4.640 -0.000 0.000 0.203 621 D C 0.906 177.219 176.300 0.021 0.000 0.969 621 D CA 1.219 55.250 54.000 0.052 0.000 0.842 621 D CB -0.211 40.607 40.800 0.029 0.000 0.957 621 D HN 0.450 nan 8.370 nan 0.000 0.484 622 D N -1.188 119.224 120.400 0.020 0.000 2.388 622 D HA 0.007 4.647 4.640 -0.000 0.000 0.208 622 D C 0.766 176.878 176.300 -0.313 0.000 1.035 622 D CA 0.277 54.186 54.000 -0.152 0.000 0.875 622 D CB 0.365 41.046 40.800 -0.198 0.000 0.984 622 D HN 0.286 nan 8.370 nan 0.000 0.508 623 Y N -0.090 120.265 120.300 0.092 0.000 2.557 623 Y HA 0.312 4.862 4.550 -0.000 0.000 0.247 623 Y C 1.564 177.602 175.900 0.229 0.000 1.164 623 Y CA -0.040 58.149 58.100 0.149 0.000 1.218 623 Y CB 1.234 39.778 38.460 0.141 0.000 1.210 623 Y HN -0.025 nan 8.280 nan 0.000 0.529 624 G N -0.704 108.256 108.800 0.266 0.000 2.155 624 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.257 624 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.257 624 G C -0.003 175.045 174.900 0.246 0.000 0.983 624 G CA -0.126 45.096 45.100 0.204 0.000 0.676 624 G HN 0.277 nan 8.290 nan 0.000 0.528 625 W N 0.546 121.895 121.300 0.083 0.000 2.161 625 W HA 0.521 5.180 4.660 -0.001 0.000 0.344 625 W C 0.679 177.220 176.519 0.036 0.000 1.262 625 W CA 0.061 57.438 57.345 0.054 0.000 1.270 625 W CB 0.453 29.946 29.460 0.056 0.000 1.126 625 W HN 0.228 nan 8.180 nan 0.000 0.598 626 D N 0.850 121.376 120.400 0.209 0.000 2.317 626 D HA 0.045 4.685 4.640 -0.000 0.000 0.252 626 D C 0.858 177.283 176.300 0.208 0.000 1.174 626 D CA -0.085 53.995 54.000 0.134 0.000 0.866 626 D CB 1.466 42.293 40.800 0.044 0.000 1.127 626 D HN 0.188 nan 8.370 nan 0.000 0.467 627 V N 3.605 123.612 119.914 0.156 0.000 2.568 627 V HA -0.230 3.890 4.120 -0.000 0.000 0.253 627 V C 1.772 177.953 176.094 0.144 0.000 1.072 627 V CA 2.365 64.750 62.300 0.143 0.000 1.084 627 V CB -0.422 31.456 31.823 0.091 0.000 0.676 627 V HN 0.810 nan 8.190 nan 0.000 0.469 628 T N -0.533 114.095 114.554 0.123 0.000 2.812 628 T HA -0.128 4.222 4.350 -0.000 0.000 0.264 628 T C 1.588 176.371 174.700 0.138 0.000 1.042 628 T CA 1.457 63.627 62.100 0.116 0.000 1.140 628 T CB -0.337 68.575 68.868 0.074 0.000 0.870 628 T HN 0.517 nan 8.240 nan 0.000 0.445 629 D N 1.441 121.933 120.400 0.153 0.000 2.104 629 D HA -0.043 4.596 4.640 -0.000 0.000 0.194 629 D C 2.345 178.827 176.300 0.303 0.000 0.994 629 D CA 1.344 55.459 54.000 0.192 0.000 0.830 629 D CB -0.465 40.441 40.800 0.176 0.000 0.959 629 D HN 0.383 nan 8.370 nan 0.000 0.452 630 A N 0.981 124.016 122.820 0.357 0.000 1.877 630 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 630 A C 2.141 179.825 177.584 0.167 0.000 1.186 630 A CA 1.348 53.498 52.037 0.187 0.000 0.620 630 A CB -0.504 18.557 19.000 0.102 0.000 0.822 630 A HN 0.147 nan 8.150 nan 0.000 0.443 631 R N -0.308 120.324 120.500 0.220 0.000 2.193 631 R HA -0.057 4.283 4.340 -0.000 0.000 0.229 631 R C 0.927 177.422 176.300 0.324 0.000 1.110 631 R CA 1.310 57.632 56.100 0.371 0.000 0.988 631 R CB -0.174 30.352 30.300 0.377 0.000 0.871 631 R HN 0.406 nan 8.270 nan 0.000 0.458 632 K N 1.154 121.678 120.400 0.208 0.000 2.493 632 K HA 0.093 4.413 4.320 -0.000 0.000 0.207 632 K C -0.041 176.647 176.600 0.146 0.000 1.033 632 K CA -0.332 56.051 56.287 0.162 0.000 1.161 632 K CB 0.206 32.754 32.500 0.081 0.000 0.873 632 K HN 0.103 nan 8.250 nan 0.000 0.491 633 I N -1.870 118.787 120.570 0.145 0.000 2.618 633 I HA -0.005 4.165 4.170 -0.000 0.000 0.284 633 I C 0.532 176.796 176.117 0.244 0.000 1.146 633 I CA 0.022 61.370 61.300 0.079 0.000 1.425 633 I CB 0.471 38.423 38.000 -0.080 0.000 1.383 633 I HN 0.064 nan 8.210 nan 0.000 0.562 634 W N 6.193 127.451 121.300 -0.070 0.000 2.640 634 W HA 0.268 4.928 4.660 -0.001 0.000 0.268 634 W C 0.596 177.122 176.519 0.011 0.000 1.263 634 W CA 0.412 57.732 57.345 -0.043 0.000 1.344 634 W CB -0.250 29.165 29.460 -0.076 0.000 1.093 634 W HN 0.952 nan 8.180 nan 0.000 0.603 635 C N -3.713 115.718 119.300 0.219 0.000 3.231 635 C HA 0.592 5.052 4.460 -0.000 0.000 0.343 635 C C -0.752 174.402 174.990 0.274 0.000 1.349 635 C CA -1.940 57.251 59.018 0.289 0.000 1.209 635 C CB 0.384 28.287 27.740 0.273 0.000 1.475 635 C HN -0.078 nan 8.230 nan 0.000 0.460 636 F N 0.686 120.754 119.950 0.198 0.000 2.523 636 F HA 0.834 5.361 4.527 -0.000 0.000 0.329 636 F C 0.968 176.926 175.800 0.265 0.000 1.061 636 F CA 0.439 58.573 58.000 0.223 0.000 0.967 636 F CB 2.589 41.658 39.000 0.116 0.000 1.218 636 F HN 1.174 nan 8.300 nan 0.000 0.480 637 G N 1.286 110.322 108.800 0.394 0.000 2.698 637 G HA2 0.603 4.563 3.960 -0.000 0.000 0.293 637 G HA3 0.603 4.563 3.960 -0.000 0.000 0.293 637 G C -3.362 171.548 174.900 0.016 0.000 1.437 637 G CA -1.432 43.752 45.100 0.139 0.000 0.852 637 G HN 0.231 nan 8.290 nan 0.000 0.499 638 P HA 0.270 nan 4.420 nan 0.000 0.293 638 P C -0.596 176.725 177.300 0.035 0.000 1.304 638 P CA -0.017 63.069 63.100 -0.023 0.000 0.767 638 P CB 0.908 32.578 31.700 -0.051 0.000 1.247 639 D N -2.029 118.388 120.400 0.030 0.000 2.955 639 D HA -0.215 4.425 4.640 -0.000 0.000 0.226 639 D C 1.103 177.433 176.300 0.050 0.000 1.178 639 D CA 1.660 55.678 54.000 0.030 0.000 0.808 639 D CB -1.957 38.853 40.800 0.017 0.000 1.099 639 D HN 0.853 nan 8.370 nan 0.000 0.421 640 G N 1.044 109.901 108.800 0.095 0.000 2.189 640 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.267 640 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.267 640 G C 0.610 175.574 174.900 0.106 0.000 0.975 640 G CA 1.194 46.366 45.100 0.121 0.000 0.644 640 G HN 0.717 nan 8.290 nan 0.000 0.537 641 N N -0.338 118.414 118.700 0.086 0.000 2.116 641 N HA 0.381 5.121 4.740 -0.000 0.000 0.230 641 N C 0.934 176.513 175.510 0.115 0.000 1.326 641 N CA 0.849 53.908 53.050 0.014 0.000 0.867 641 N CB -0.214 38.236 38.487 -0.061 0.000 1.174 641 N HN 0.731 nan 8.380 nan 0.000 0.506 642 G N 1.022 109.923 108.800 0.169 0.000 2.634 642 G HA2 0.313 4.272 3.960 -0.000 0.000 0.255 642 G HA3 0.313 4.272 3.960 -0.000 0.000 0.255 642 G C -2.088 172.948 174.900 0.226 0.000 1.205 642 G CA -1.140 44.048 45.100 0.147 0.000 0.884 642 G HN 0.088 nan 8.290 nan 0.000 0.549 643 P HA 0.140 nan 4.420 nan 0.000 0.220 643 P C -0.875 176.498 177.300 0.121 0.000 1.778 643 P CA -0.010 63.177 63.100 0.145 0.000 0.912 643 P CB -0.198 31.560 31.700 0.097 0.000 1.861 644 N N 0.974 119.769 118.700 0.159 0.000 2.331 644 N HA 0.478 5.217 4.740 -0.000 0.000 0.280 644 N C -0.834 174.863 175.510 0.310 0.000 1.155 644 N CA -0.464 52.712 53.050 0.211 0.000 0.822 644 N CB 2.293 40.846 38.487 0.111 0.000 1.619 644 N HN 0.036 nan 8.380 nan 0.000 0.476 645 L N 0.494 121.895 121.223 0.296 0.000 2.393 645 L HA 0.639 4.978 4.340 -0.000 0.000 0.260 645 L C -0.747 175.983 176.870 -0.234 0.000 1.002 645 L CA -1.053 53.795 54.840 0.014 0.000 0.818 645 L CB 2.542 44.496 42.059 -0.176 0.000 1.369 645 L HN 0.109 nan 8.230 nan 0.000 0.412 646 V N 2.769 122.385 119.914 -0.498 0.000 2.409 646 V HA 0.480 4.599 4.120 -0.000 0.000 0.291 646 V C -0.586 175.335 176.094 -0.288 0.000 1.020 646 V CA -0.350 61.603 62.300 -0.578 0.000 0.848 646 V CB 1.773 33.164 31.823 -0.721 0.000 0.990 646 V HN 0.370 nan 8.190 nan 0.000 0.430 647 I N 3.843 124.260 120.570 -0.255 0.000 2.474 647 I HA 0.411 4.581 4.170 -0.000 0.000 0.294 647 I C -0.202 175.678 176.117 -0.394 0.000 1.005 647 I CA -0.549 60.626 61.300 -0.208 0.000 1.113 647 I CB 1.837 39.816 38.000 -0.036 0.000 1.289 647 I HN 0.619 nan 8.210 nan 0.000 0.436 648 D N 5.152 125.230 120.400 -0.537 0.000 2.313 648 D HA 0.248 4.888 4.640 -0.000 0.000 0.239 648 D C -0.321 175.795 176.300 -0.307 0.000 1.142 648 D CA 0.058 53.665 54.000 -0.655 0.000 0.847 648 D CB 0.801 41.015 40.800 -0.976 0.000 1.082 648 D HN 0.487 nan 8.370 nan 0.000 0.480 649 Q N 2.407 122.057 119.800 -0.249 0.000 2.155 649 Q HA 0.152 4.492 4.340 -0.000 0.000 0.273 649 Q C -0.091 175.839 176.000 -0.118 0.000 0.857 649 Q CA -0.366 55.350 55.803 -0.145 0.000 1.116 649 Q CB 0.809 29.474 28.738 -0.122 0.000 1.209 649 Q HN 0.626 nan 8.270 nan 0.000 0.460 650 T N -2.953 111.525 114.554 -0.127 0.000 2.913 650 T HA 0.353 4.703 4.350 -0.000 0.000 0.287 650 T C 0.767 175.440 174.700 -0.046 0.000 1.008 650 T CA -0.535 61.517 62.100 -0.079 0.000 1.067 650 T CB 2.072 70.902 68.868 -0.064 0.000 0.996 650 T HN 0.027 nan 8.240 nan 0.000 0.513 651 K N 0.969 121.347 120.400 -0.037 0.000 2.273 651 K HA 0.433 4.752 4.320 -0.000 0.000 0.206 651 K C 1.168 177.758 176.600 -0.017 0.000 1.072 651 K CA 0.315 56.586 56.287 -0.026 0.000 0.953 651 K CB 0.437 32.917 32.500 -0.034 0.000 1.043 651 K HN 0.672 nan 8.250 nan 0.000 0.477 652 A N 1.628 124.436 122.820 -0.020 0.000 3.129 652 A HA 0.323 4.643 4.320 -0.000 0.000 0.282 652 A C -0.731 176.842 177.584 -0.020 0.000 0.948 652 A CA -0.448 51.577 52.037 -0.021 0.000 1.027 652 A CB 0.406 19.388 19.000 -0.029 0.000 1.123 652 A HN -0.022 nan 8.150 nan 0.000 0.485 653 V N 1.584 121.500 119.914 0.002 0.000 2.385 653 V HA 0.060 4.180 4.120 -0.000 0.000 0.269 653 V C 1.306 177.393 176.094 -0.012 0.000 1.043 653 V CA 0.026 62.336 62.300 0.016 0.000 0.906 653 V CB 0.836 32.699 31.823 0.067 0.000 0.995 653 V HN 0.870 nan 8.190 nan 0.000 0.467 654 Q N 3.275 123.003 119.800 -0.120 0.000 2.002 654 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 654 Q C 0.232 176.058 176.000 -0.291 0.000 0.988 654 Q CA 1.983 57.589 55.803 -0.327 0.000 0.843 654 Q CB -0.034 28.286 28.738 -0.696 0.000 0.908 654 Q HN 0.867 nan 8.270 nan 0.000 0.420 655 Y N 0.056 120.424 120.300 0.112 0.000 2.867 655 Y HA 0.092 4.642 4.550 -0.000 0.000 0.351 655 Y C 0.910 176.822 175.900 0.018 0.000 1.046 655 Y CA -0.427 57.705 58.100 0.053 0.000 1.520 655 Y CB -0.065 38.382 38.460 -0.022 0.000 1.337 655 Y HN 0.123 nan 8.280 nan 0.000 0.525 656 L N 0.929 122.300 121.223 0.246 0.000 1.976 656 L HA -0.226 4.113 4.340 -0.000 0.000 0.209 656 L C 2.918 179.907 176.870 0.198 0.000 1.071 656 L CA 2.026 57.025 54.840 0.264 0.000 0.746 656 L CB -0.740 41.502 42.059 0.305 0.000 0.890 656 L HN 0.569 nan 8.230 nan 0.000 0.432 657 H N -0.639 118.486 119.070 0.092 0.000 2.431 657 H HA -0.198 4.358 4.556 -0.000 0.000 0.297 657 H C 1.568 176.883 175.328 -0.022 0.000 1.115 657 H CA 1.926 57.969 56.048 -0.008 0.000 1.277 657 H CB -0.821 28.937 29.762 -0.006 0.000 1.372 657 H HN 0.588 nan 8.280 nan 0.000 0.516 658 E N 0.850 120.737 120.200 -0.521 0.000 2.358 658 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 658 E C 2.165 178.684 176.600 -0.134 0.000 1.010 658 E CA 0.901 57.100 56.400 -0.335 0.000 0.856 658 E CB 0.113 29.598 29.700 -0.358 0.000 0.795 658 E HN 0.759 nan 8.360 nan 0.000 0.504 659 I N -2.221 118.315 120.570 -0.056 0.000 3.968 659 I HA 0.147 4.317 4.170 -0.000 0.000 0.328 659 I C 2.043 178.168 176.117 0.012 0.000 1.290 659 I CA -0.124 61.187 61.300 0.018 0.000 1.163 659 I CB 0.175 38.235 38.000 0.100 0.000 1.024 659 I HN -0.165 nan 8.210 nan 0.000 0.413 660 K N 1.928 122.249 120.400 -0.132 0.000 2.034 660 K HA -0.250 4.070 4.320 -0.000 0.000 0.214 660 K C 1.506 177.983 176.600 -0.206 0.000 1.051 660 K CA 2.584 58.622 56.287 -0.415 0.000 0.931 660 K CB -0.121 31.905 32.500 -0.792 0.000 0.715 660 K HN 0.361 nan 8.250 nan 0.000 0.446 661 D N -0.070 120.244 120.400 -0.142 0.000 2.123 661 D HA -0.113 4.527 4.640 -0.000 0.000 0.196 661 D C 2.017 178.322 176.300 0.008 0.000 0.992 661 D CA 1.164 55.125 54.000 -0.065 0.000 0.833 661 D CB -0.220 40.546 40.800 -0.056 0.000 0.954 661 D HN 0.163 nan 8.370 nan 0.000 0.455 662 S N -0.126 115.590 115.700 0.026 0.000 2.368 662 S HA -0.089 4.380 4.470 -0.000 0.000 0.224 662 S C 2.339 177.010 174.600 0.118 0.000 1.029 662 S CA 0.510 58.753 58.200 0.071 0.000 0.988 662 S CB -0.134 63.106 63.200 0.067 0.000 0.838 662 S HN 0.088 nan 8.310 nan 0.000 0.462 663 V N 1.490 121.491 119.914 0.146 0.000 2.295 663 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 663 V C 2.326 178.553 176.094 0.221 0.000 1.049 663 V CA 1.405 63.830 62.300 0.209 0.000 1.024 663 V CB -0.811 31.229 31.823 0.362 0.000 0.648 663 V HN 0.322 nan 8.190 nan 0.000 0.447 664 V N 0.397 120.427 119.914 0.193 0.000 2.255 664 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 664 V C 2.754 178.983 176.094 0.224 0.000 1.051 664 V CA 2.195 64.617 62.300 0.204 0.000 1.018 664 V CB -1.202 30.686 31.823 0.109 0.000 0.641 664 V HN 0.565 nan 8.190 nan 0.000 0.445 665 A N -0.095 122.822 122.820 0.161 0.000 1.908 665 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 665 A C 2.401 180.123 177.584 0.230 0.000 1.181 665 A CA 2.268 54.398 52.037 0.155 0.000 0.627 665 A CB -0.809 18.255 19.000 0.107 0.000 0.818 665 A HN 0.608 nan 8.150 nan 0.000 0.445 666 A N -1.651 121.313 122.820 0.240 0.000 1.969 666 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 666 A C 1.995 179.719 177.584 0.232 0.000 1.169 666 A CA 1.523 53.705 52.037 0.242 0.000 0.635 666 A CB -0.622 18.463 19.000 0.142 0.000 0.810 666 A HN 0.578 nan 8.150 nan 0.000 0.445 667 F N 0.647 120.645 119.950 0.080 0.000 2.146 667 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 667 F C 2.447 178.301 175.800 0.088 0.000 1.096 667 F CA 1.807 59.840 58.000 0.056 0.000 1.275 667 F CB -0.183 38.865 39.000 0.080 0.000 1.008 667 F HN 0.198 nan 8.300 nan 0.000 0.480 668 Q N -0.801 119.116 119.800 0.196 0.000 2.135 668 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 668 Q C 2.091 178.154 176.000 0.105 0.000 0.981 668 Q CA 1.530 57.386 55.803 0.088 0.000 0.856 668 Q CB -1.214 27.591 28.738 0.112 0.000 0.902 668 Q HN 0.604 nan 8.270 nan 0.000 0.425 669 W N 0.998 122.263 121.300 -0.059 0.000 2.407 669 W HA 0.053 4.713 4.660 -0.001 0.000 0.305 669 W C 2.214 178.671 176.519 -0.105 0.000 1.196 669 W CA 1.467 58.773 57.345 -0.064 0.000 1.311 669 W CB -0.720 28.716 29.460 -0.039 0.000 1.135 669 W HN 0.112 nan 8.180 nan 0.000 0.514 670 A N 0.075 122.864 122.820 -0.053 0.000 1.902 670 A HA -0.213 4.106 4.320 -0.000 0.000 0.217 670 A C 2.014 179.492 177.584 -0.178 0.000 1.181 670 A CA 3.149 55.032 52.037 -0.256 0.000 0.623 670 A CB -1.456 17.288 19.000 -0.427 0.000 0.818 670 A HN 0.349 nan 8.150 nan 0.000 0.443 671 T N -2.683 111.665 114.554 -0.344 0.000 2.995 671 T HA -0.035 4.315 4.350 -0.000 0.000 0.269 671 T C 1.717 176.303 174.700 -0.189 0.000 1.091 671 T CA 1.569 63.452 62.100 -0.362 0.000 1.128 671 T CB -0.059 68.452 68.868 -0.595 0.000 0.891 671 T HN 0.341 nan 8.240 nan 0.000 0.492 672 K N 2.084 122.429 120.400 -0.092 0.000 2.116 672 K HA 0.100 4.420 4.320 -0.000 0.000 0.203 672 K C 1.126 177.706 176.600 -0.032 0.000 1.052 672 K CA 0.858 57.123 56.287 -0.036 0.000 0.952 672 K CB 0.079 32.596 32.500 0.028 0.000 0.729 672 K HN 0.570 nan 8.250 nan 0.000 0.446 673 E N 0.357 120.567 120.200 0.016 0.000 2.489 673 E HA 0.265 4.614 4.350 -0.000 0.000 0.232 673 E C -0.599 175.950 176.600 -0.085 0.000 0.990 673 E CA -0.631 55.758 56.400 -0.017 0.000 0.768 673 E CB 0.422 30.180 29.700 0.097 0.000 1.270 673 E HN 0.362 nan 8.360 nan 0.000 0.423 674 G N 3.551 112.219 108.800 -0.220 0.000 2.630 674 G HA2 0.041 4.001 3.960 -0.000 0.000 0.236 674 G HA3 0.041 4.001 3.960 -0.000 0.000 0.236 674 G C -1.361 173.240 174.900 -0.499 0.000 1.248 674 G CA -0.827 44.042 45.100 -0.385 0.000 0.844 674 G HN 0.468 nan 8.290 nan 0.000 0.588 675 P HA 0.015 nan 4.420 nan 0.000 0.236 675 P C 1.753 178.914 177.300 -0.232 0.000 1.177 675 P CA 0.389 63.071 63.100 -0.697 0.000 0.773 675 P CB 0.359 31.508 31.700 -0.919 0.000 0.878 676 I N -0.190 120.331 120.570 -0.082 0.000 2.163 676 I HA -0.141 4.029 4.170 -0.000 0.000 0.240 676 I C 1.688 177.992 176.117 0.311 0.000 1.081 676 I CA 1.844 63.252 61.300 0.179 0.000 1.353 676 I CB -0.310 37.897 38.000 0.344 0.000 1.054 676 I HN -0.042 nan 8.210 nan 0.000 0.407 677 F N -2.043 117.865 119.950 -0.070 0.000 2.939 677 F HA 0.518 5.045 4.527 -0.001 0.000 0.327 677 F C 0.651 176.427 175.800 -0.040 0.000 1.276 677 F CA -0.098 57.883 58.000 -0.031 0.000 0.973 677 F CB -0.201 38.810 39.000 0.018 0.000 1.460 677 F HN 0.016 nan 8.300 nan 0.000 0.499 678 G N 0.252 108.908 108.800 -0.241 0.000 2.157 678 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.248 678 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.248 678 G C -0.020 174.657 174.900 -0.372 0.000 0.979 678 G CA 0.141 45.072 45.100 -0.282 0.000 0.650 678 G HN 0.412 nan 8.290 nan 0.000 0.529 679 E N 0.775 120.630 120.200 -0.574 0.000 2.345 679 E HA 0.375 4.725 4.350 -0.000 0.000 0.259 679 E C 0.704 177.137 176.600 -0.277 0.000 1.117 679 E CA -0.430 55.704 56.400 -0.444 0.000 0.913 679 E CB 0.620 29.988 29.700 -0.553 0.000 1.057 679 E HN 0.592 nan 8.360 nan 0.000 0.432 680 E N 0.853 120.930 120.200 -0.204 0.000 2.404 680 E HA 0.077 4.426 4.350 -0.000 0.000 0.261 680 E C 0.122 176.608 176.600 -0.191 0.000 1.074 680 E CA 0.079 56.373 56.400 -0.176 0.000 0.917 680 E CB 0.650 30.264 29.700 -0.143 0.000 0.965 680 E HN 0.235 nan 8.360 nan 0.000 0.433 681 M N 1.701 121.196 119.600 -0.176 0.000 2.227 681 M HA 0.335 4.814 4.480 -0.000 0.000 0.316 681 M C 0.155 176.385 176.300 -0.116 0.000 1.144 681 M CA 0.182 55.409 55.300 -0.122 0.000 1.121 681 M CB 0.948 33.477 32.600 -0.117 0.000 1.440 681 M HN 0.381 nan 8.290 nan 0.000 0.473 682 R N -0.632 119.833 120.500 -0.058 0.000 2.561 682 R HA 0.260 4.600 4.340 -0.000 0.000 0.266 682 R C -0.871 175.435 176.300 0.011 0.000 1.091 682 R CA -0.126 55.926 56.100 -0.079 0.000 0.927 682 R CB 1.372 31.524 30.300 -0.248 0.000 1.240 682 R HN 0.786 nan 8.270 nan 0.000 0.449 683 S N 0.479 116.204 115.700 0.042 0.000 3.635 683 S HA -0.126 4.344 4.470 -0.000 0.000 0.328 683 S C -0.501 174.158 174.600 0.099 0.000 1.135 683 S CA 0.949 59.194 58.200 0.075 0.000 0.942 683 S CB -1.191 62.046 63.200 0.061 0.000 0.930 683 S HN 0.371 nan 8.310 nan 0.000 0.512 684 V N 1.564 121.557 119.914 0.132 0.000 2.370 684 V HA 0.544 4.664 4.120 -0.000 0.000 0.283 684 V C 0.426 176.645 176.094 0.209 0.000 1.023 684 V CA -0.587 61.818 62.300 0.174 0.000 0.857 684 V CB 1.686 33.661 31.823 0.253 0.000 0.985 684 V HN 0.435 nan 8.190 nan 0.000 0.443 685 R N 3.787 124.377 120.500 0.150 0.000 2.514 685 R HA 0.779 5.118 4.340 -0.000 0.000 0.301 685 R C -1.785 174.562 176.300 0.079 0.000 0.962 685 R CA -0.417 55.757 56.100 0.124 0.000 0.882 685 R CB 1.935 32.274 30.300 0.065 0.000 1.143 685 R HN 0.510 nan 8.270 nan 0.000 0.452 686 V N 4.800 124.733 119.914 0.032 0.000 2.444 686 V HA 0.341 4.461 4.120 -0.000 0.000 0.294 686 V C -0.826 175.197 176.094 -0.118 0.000 1.022 686 V CA -0.995 61.292 62.300 -0.022 0.000 0.850 686 V CB 1.821 33.641 31.823 -0.005 0.000 0.992 686 V HN 0.798 nan 8.190 nan 0.000 0.426 687 N N 5.073 123.711 118.700 -0.103 0.000 2.424 687 N HA 0.502 5.242 4.740 -0.000 0.000 0.271 687 N C -0.574 174.856 175.510 -0.133 0.000 0.985 687 N CA -0.336 52.631 53.050 -0.137 0.000 0.921 687 N CB 2.385 40.800 38.487 -0.120 0.000 1.149 687 N HN 0.552 nan 8.380 nan 0.000 0.492 688 I N 3.309 123.760 120.570 -0.199 0.000 2.363 688 I HA 0.054 4.223 4.170 -0.000 0.000 0.292 688 I C 1.570 177.610 176.117 -0.128 0.000 1.075 688 I CA -0.169 61.028 61.300 -0.172 0.000 1.333 688 I CB 0.749 38.574 38.000 -0.292 0.000 1.415 688 I HN 0.384 nan 8.210 nan 0.000 0.502 689 L N 4.348 125.542 121.223 -0.049 0.000 2.162 689 L HA 0.169 4.508 4.340 -0.000 0.000 0.205 689 L C 0.299 177.142 176.870 -0.044 0.000 1.086 689 L CA 0.821 55.634 54.840 -0.045 0.000 0.778 689 L CB -0.098 41.952 42.059 -0.016 0.000 0.928 689 L HN 0.640 nan 8.230 nan 0.000 0.446 690 D N -1.958 118.458 120.400 0.026 0.000 2.685 690 D HA 0.412 5.052 4.640 -0.000 0.000 0.236 690 D C -1.530 174.881 176.300 0.185 0.000 1.233 690 D CA -0.217 53.799 54.000 0.027 0.000 0.760 690 D CB 2.213 42.926 40.800 -0.146 0.000 1.410 690 D HN -0.291 nan 8.370 nan 0.000 0.439 691 V N 1.447 121.446 119.914 0.141 0.000 2.686 691 V HA 0.678 4.797 4.120 -0.000 0.000 0.306 691 V C -0.350 175.844 176.094 0.167 0.000 1.065 691 V CA -0.756 61.649 62.300 0.175 0.000 0.894 691 V CB 1.869 33.769 31.823 0.127 0.000 1.004 691 V HN 0.749 nan 8.190 nan 0.000 0.424 692 T N 3.397 118.069 114.554 0.197 0.000 2.791 692 T HA 0.827 5.176 4.350 -0.000 0.000 0.288 692 T C -0.737 174.064 174.700 0.168 0.000 0.999 692 T CA -0.515 61.689 62.100 0.172 0.000 0.952 692 T CB 0.847 69.831 68.868 0.193 0.000 0.938 692 T HN 0.360 nan 8.240 nan 0.000 0.444 693 L N 2.035 123.366 121.223 0.180 0.000 2.313 693 L HA 0.583 4.922 4.340 -0.000 0.000 0.268 693 L C 0.259 177.261 176.870 0.220 0.000 1.010 693 L CA -1.554 53.408 54.840 0.202 0.000 0.814 693 L CB 1.395 43.586 42.059 0.220 0.000 1.304 693 L HN 0.715 nan 8.230 nan 0.000 0.441 694 H N 0.065 119.211 119.070 0.127 0.000 2.629 694 H HA 0.257 4.813 4.556 -0.000 0.000 0.357 694 H C 0.685 176.038 175.328 0.042 0.000 1.121 694 H CA 0.444 56.552 56.048 0.099 0.000 1.406 694 H CB 1.758 31.555 29.762 0.058 0.000 1.456 694 H HN 0.673 nan 8.280 nan 0.000 0.579 695 A N 3.591 126.044 122.820 -0.611 0.000 1.933 695 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 695 A C 0.361 177.706 177.584 -0.398 0.000 1.175 695 A CA 1.452 53.286 52.037 -0.339 0.000 0.628 695 A CB -0.245 18.584 19.000 -0.285 0.000 0.814 695 A HN 0.811 nan 8.150 nan 0.000 0.444 696 D N -0.289 119.923 120.400 -0.313 0.000 2.249 696 D HA 0.463 5.103 4.640 -0.000 0.000 0.246 696 D C 0.996 177.222 176.300 -0.125 0.000 1.114 696 D CA 0.510 54.432 54.000 -0.131 0.000 0.854 696 D CB 1.545 42.334 40.800 -0.019 0.000 1.132 696 D HN 0.174 nan 8.370 nan 0.000 0.461 697 A N 3.252 125.935 122.820 -0.229 0.000 2.024 697 A HA -0.193 4.126 4.320 -0.000 0.000 0.220 697 A C 1.955 179.446 177.584 -0.155 0.000 1.164 697 A CA 0.788 52.707 52.037 -0.196 0.000 0.643 697 A CB -0.561 18.325 19.000 -0.191 0.000 0.806 697 A HN 0.714 nan 8.150 nan 0.000 0.451 698 I N -0.425 120.014 120.570 -0.219 0.000 2.039 698 I HA -0.203 3.967 4.170 -0.000 0.000 0.233 698 I C 0.454 176.424 176.117 -0.245 0.000 1.040 698 I CA 1.144 62.283 61.300 -0.268 0.000 1.308 698 I CB -0.234 37.515 38.000 -0.418 0.000 1.035 698 I HN 0.424 nan 8.210 nan 0.000 0.392 699 H N 2.132 121.127 119.070 -0.125 0.000 2.864 699 H HA 0.379 4.935 4.556 -0.000 0.000 0.281 699 H C 0.242 175.542 175.328 -0.046 0.000 1.093 699 H CA -0.042 55.918 56.048 -0.147 0.000 1.453 699 H CB 0.722 30.273 29.762 -0.351 0.000 1.462 699 H HN 0.370 nan 8.280 nan 0.000 0.480 700 R N 1.013 121.554 120.500 0.068 0.000 2.421 700 R HA -0.009 4.331 4.340 -0.000 0.000 0.036 700 R C 0.750 177.067 176.300 0.028 0.000 0.531 700 R CA 0.356 56.486 56.100 0.050 0.000 1.148 700 R CB -0.328 29.976 30.300 0.007 0.000 0.845 700 R HN 0.761 nan 8.270 nan 0.000 0.571 701 G N -0.444 108.370 108.800 0.024 0.000 2.554 701 G HA2 0.276 4.236 3.960 -0.000 0.000 0.238 701 G HA3 0.276 4.236 3.960 -0.000 0.000 0.238 701 G C 1.234 176.155 174.900 0.034 0.000 1.259 701 G CA 0.228 45.339 45.100 0.017 0.000 0.843 701 G HN 0.202 nan 8.290 nan 0.000 0.582 702 G N 1.125 109.943 108.800 0.030 0.000 2.556 702 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 702 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 702 G C 1.843 176.782 174.900 0.065 0.000 1.156 702 G CA 1.475 46.604 45.100 0.048 0.000 0.766 702 G HN 1.127 nan 8.290 nan 0.000 0.583 703 G N -1.028 107.806 108.800 0.056 0.000 2.527 703 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.219 703 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.219 703 G C 1.778 176.716 174.900 0.063 0.000 1.117 703 G CA 1.182 46.321 45.100 0.064 0.000 0.759 703 G HN 0.438 nan 8.290 nan 0.000 0.556 704 Q N -0.650 119.186 119.800 0.060 0.000 2.481 704 Q HA 0.268 4.608 4.340 -0.000 0.000 0.219 704 Q C 2.661 178.696 176.000 0.059 0.000 0.920 704 Q CA 0.158 55.995 55.803 0.057 0.000 0.915 704 Q CB 0.141 28.917 28.738 0.063 0.000 1.057 704 Q HN 0.538 nan 8.270 nan 0.000 0.581 705 I N 0.598 121.207 120.570 0.065 0.000 2.584 705 I HA -0.112 4.058 4.170 -0.000 0.000 0.255 705 I C 2.118 178.278 176.117 0.072 0.000 1.145 705 I CA 0.512 61.853 61.300 0.068 0.000 1.462 705 I CB -0.049 37.997 38.000 0.075 0.000 1.102 705 I HN 0.071 nan 8.210 nan 0.000 0.433 706 I N 1.365 121.989 120.570 0.091 0.000 2.226 706 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 706 I C -0.413 175.750 176.117 0.077 0.000 1.100 706 I CA 1.676 63.050 61.300 0.123 0.000 1.374 706 I CB -1.459 36.655 38.000 0.191 0.000 1.057 706 I HN 0.154 nan 8.210 nan 0.000 0.413 707 P HA -0.087 nan 4.420 nan 0.000 0.217 707 P C 1.602 178.877 177.300 -0.041 0.000 1.151 707 P CA 1.410 64.500 63.100 -0.016 0.000 0.828 707 P CB -0.062 31.650 31.700 0.021 0.000 0.788 708 T N -0.379 114.172 114.554 -0.006 0.000 2.674 708 T HA -0.204 4.146 4.350 -0.000 0.000 0.265 708 T C 1.752 176.434 174.700 -0.030 0.000 1.039 708 T CA 1.666 63.758 62.100 -0.013 0.000 1.150 708 T CB -0.787 68.085 68.868 0.006 0.000 0.864 708 T HN 0.039 nan 8.240 nan 0.000 0.427 709 M N 1.406 120.999 119.600 -0.012 0.000 2.117 709 M HA 0.007 4.487 4.480 -0.000 0.000 0.262 709 M C 2.172 178.416 176.300 -0.093 0.000 1.065 709 M CA 1.527 56.820 55.300 -0.011 0.000 1.114 709 M CB -0.450 32.181 32.600 0.051 0.000 1.361 709 M HN 0.087 nan 8.290 nan 0.000 0.408 710 R N -0.743 119.645 120.500 -0.186 0.000 2.092 710 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 710 R C 2.489 178.464 176.300 -0.542 0.000 1.119 710 R CA 1.576 57.389 56.100 -0.479 0.000 0.970 710 R CB -0.301 29.628 30.300 -0.618 0.000 0.864 710 R HN 0.441 nan 8.270 nan 0.000 0.440 711 R N -0.130 120.242 120.500 -0.214 0.000 2.075 711 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 711 R C 2.101 178.423 176.300 0.036 0.000 1.126 711 R CA 1.385 57.496 56.100 0.018 0.000 0.963 711 R CB -0.228 30.123 30.300 0.085 0.000 0.858 711 R HN 0.312 nan 8.270 nan 0.000 0.435 712 A N -0.176 122.632 122.820 -0.019 0.000 1.898 712 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 712 A C 2.137 179.735 177.584 0.022 0.000 1.181 712 A CA 1.911 53.956 52.037 0.013 0.000 0.620 712 A CB -0.808 18.179 19.000 -0.022 0.000 0.819 712 A HN 0.400 nan 8.150 nan 0.000 0.442 713 T N -0.947 113.578 114.554 -0.048 0.000 2.708 713 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 713 T C 1.765 176.502 174.700 0.061 0.000 1.037 713 T CA 1.731 63.832 62.100 0.002 0.000 1.146 713 T CB -0.460 68.387 68.868 -0.036 0.000 0.865 713 T HN 0.499 nan 8.240 nan 0.000 0.435 714 Y N 1.554 121.766 120.300 -0.145 0.000 2.165 714 Y HA -0.033 4.517 4.550 -0.000 0.000 0.286 714 Y C 2.712 178.500 175.900 -0.186 0.000 1.155 714 Y CA 0.150 58.044 58.100 -0.342 0.000 1.164 714 Y CB -1.316 36.639 38.460 -0.841 0.000 0.978 714 Y HN 0.220 nan 8.280 nan 0.000 0.513 715 A N -0.148 122.739 122.820 0.111 0.000 1.898 715 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 715 A C 2.677 180.391 177.584 0.216 0.000 1.181 715 A CA 1.660 53.861 52.037 0.273 0.000 0.620 715 A CB -1.380 17.849 19.000 0.383 0.000 0.819 715 A HN 0.438 nan 8.150 nan 0.000 0.442 716 G N -1.315 107.582 108.800 0.161 0.000 2.422 716 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 716 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 716 G C 1.453 176.410 174.900 0.096 0.000 1.146 716 G CA 1.078 46.235 45.100 0.095 0.000 0.769 716 G HN 0.480 nan 8.290 nan 0.000 0.547 717 F N 0.801 120.768 119.950 0.028 0.000 2.051 717 F HA -0.056 4.471 4.527 -0.000 0.000 0.296 717 F C 2.358 178.167 175.800 0.014 0.000 1.122 717 F CA 1.051 59.066 58.000 0.026 0.000 1.201 717 F CB -0.186 38.842 39.000 0.048 0.000 0.978 717 F HN 0.008 nan 8.300 nan 0.000 0.472 718 L N 0.480 121.886 121.223 0.305 0.000 2.187 718 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 718 L C 2.124 179.007 176.870 0.022 0.000 1.100 718 L CA 1.467 56.438 54.840 0.217 0.000 0.765 718 L CB -1.372 40.904 42.059 0.362 0.000 0.904 718 L HN 0.306 nan 8.230 nan 0.000 0.437 719 L N -1.060 120.104 121.223 -0.099 0.000 2.599 719 L HA 0.039 4.379 4.340 -0.000 0.000 0.230 719 L C 1.402 178.112 176.870 -0.266 0.000 1.141 719 L CA 0.218 54.846 54.840 -0.354 0.000 0.877 719 L CB -0.221 41.560 42.059 -0.463 0.000 1.009 719 L HN 0.193 nan 8.230 nan 0.000 0.447 720 A N -0.751 121.932 122.820 -0.229 0.000 2.842 720 A HA 0.162 4.481 4.320 -0.000 0.000 0.298 720 A C 0.121 177.562 177.584 -0.237 0.000 1.293 720 A CA -0.311 51.588 52.037 -0.230 0.000 0.959 720 A CB -0.247 18.613 19.000 -0.233 0.000 1.119 720 A HN 0.338 nan 8.150 nan 0.000 0.564 721 D N -0.239 120.047 120.400 -0.190 0.000 3.082 721 D HA -0.096 4.543 4.640 -0.000 0.000 0.234 721 D C -2.631 173.558 176.300 -0.184 0.000 1.159 721 D CA 0.391 54.307 54.000 -0.140 0.000 0.875 721 D CB -0.749 39.987 40.800 -0.107 0.000 0.946 721 D HN 0.312 nan 8.370 nan 0.000 0.411 722 P HA 0.248 nan 4.420 nan 0.000 0.266 722 P C -0.441 176.824 177.300 -0.058 0.000 1.195 722 P CA 0.221 63.176 63.100 -0.242 0.000 0.768 722 P CB 0.685 32.352 31.700 -0.056 0.000 0.838 723 K N 1.667 122.064 120.400 -0.005 0.000 2.536 723 K HA 0.621 4.941 4.320 -0.000 0.000 0.269 723 K C -0.519 176.172 176.600 0.151 0.000 0.965 723 K CA -0.718 55.607 56.287 0.064 0.000 0.860 723 K CB 1.299 33.821 32.500 0.036 0.000 1.423 723 K HN 0.396 nan 8.250 nan 0.000 0.438 731 V N 1.800 121.691 119.914 -0.039 0.000 2.378 731 V HA 0.581 4.700 4.120 -0.000 0.000 0.288 731 V C -0.150 175.935 176.094 -0.015 0.000 1.016 731 V CA -0.114 62.159 62.300 -0.044 0.000 0.840 731 V CB 2.002 33.750 31.823 -0.124 0.000 0.994 731 V HN 0.628 nan 8.190 nan 0.000 0.431 732 E N 6.586 126.796 120.200 0.017 0.000 2.134 732 E HA 0.516 4.866 4.350 -0.000 0.000 0.278 732 E C -1.198 175.441 176.600 0.065 0.000 0.959 732 E CA -0.591 55.827 56.400 0.029 0.000 0.783 732 E CB 1.314 31.029 29.700 0.026 0.000 1.095 732 E HN 0.769 nan 8.360 nan 0.000 0.399 733 I N 3.983 124.591 120.570 0.063 0.000 2.418 733 I HA 0.205 4.375 4.170 -0.000 0.000 0.287 733 I C -0.511 175.660 176.117 0.090 0.000 1.008 733 I CA -0.861 60.491 61.300 0.087 0.000 1.104 733 I CB 1.865 39.906 38.000 0.068 0.000 1.264 733 I HN 0.406 nan 8.210 nan 0.000 0.438 734 Q N 5.283 125.160 119.800 0.129 0.000 2.257 734 Q HA 0.669 5.009 4.340 -0.000 0.000 0.255 734 Q C -0.773 175.331 176.000 0.173 0.000 0.920 734 Q CA -0.144 55.742 55.803 0.138 0.000 0.927 734 Q CB 1.964 30.771 28.738 0.116 0.000 1.229 734 Q HN 0.833 nan 8.270 nan 0.000 0.433 735 C N 1.148 120.544 119.300 0.160 0.000 3.231 735 C HA 0.673 5.132 4.460 -0.000 0.000 0.343 735 C C -2.943 172.152 174.990 0.176 0.000 1.349 735 C CA -1.839 57.262 59.018 0.138 0.000 1.209 735 C CB 0.748 28.511 27.740 0.037 0.000 1.475 735 C HN 0.554 nan 8.230 nan 0.000 0.460 736 P HA 0.218 nan 4.420 nan 0.000 0.272 736 P C 0.728 178.075 177.300 0.078 0.000 1.223 736 P CA 0.475 63.668 63.100 0.154 0.000 0.784 736 P CB 0.556 32.310 31.700 0.090 0.000 0.923 737 E N 2.179 122.434 120.200 0.092 0.000 2.013 737 E HA -0.333 4.017 4.350 -0.000 0.000 0.202 737 E C 1.334 177.802 176.600 -0.220 0.000 1.018 737 E CA 1.850 58.062 56.400 -0.313 0.000 0.834 737 E CB -0.314 29.319 29.700 -0.111 0.000 0.770 737 E HN 0.362 nan 8.360 nan 0.000 0.459 738 Q N 0.278 120.025 119.800 -0.089 0.000 2.389 738 Q HA -0.146 4.194 4.340 -0.000 0.000 0.213 738 Q C 1.705 177.659 176.000 -0.075 0.000 0.989 738 Q CA 1.723 57.486 55.803 -0.067 0.000 0.891 738 Q CB -0.479 28.242 28.738 -0.027 0.000 0.923 738 Q HN 0.394 nan 8.270 nan 0.000 0.455 739 A N 0.081 122.849 122.820 -0.087 0.000 2.044 739 A HA 0.098 4.418 4.320 -0.000 0.000 0.213 739 A C 2.144 179.649 177.584 -0.133 0.000 1.169 739 A CA 0.350 52.332 52.037 -0.092 0.000 0.724 739 A CB -0.247 18.708 19.000 -0.075 0.000 0.840 739 A HN 0.200 nan 8.150 nan 0.000 0.463 740 V N 0.456 120.260 119.914 -0.183 0.000 2.370 740 V HA -0.295 3.825 4.120 -0.000 0.000 0.252 740 V C 2.749 178.703 176.094 -0.233 0.000 1.068 740 V CA 2.067 64.213 62.300 -0.257 0.000 1.061 740 V CB -1.378 30.253 31.823 -0.321 0.000 0.656 740 V HN 0.605 nan 8.190 nan 0.000 0.455 741 G N -0.174 108.576 108.800 -0.084 0.000 2.450 741 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.220 741 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.220 741 G C 1.552 176.447 174.900 -0.009 0.000 1.130 741 G CA 0.936 46.054 45.100 0.030 0.000 0.760 741 G HN 0.615 nan 8.290 nan 0.000 0.557 742 G N 0.861 109.614 108.800 -0.077 0.000 2.421 742 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 742 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 742 G C 1.727 176.564 174.900 -0.105 0.000 1.143 742 G CA 0.622 45.674 45.100 -0.079 0.000 0.784 742 G HN 0.450 nan 8.290 nan 0.000 0.541 743 I N -0.320 120.132 120.570 -0.196 0.000 2.163 743 I HA -0.219 3.951 4.170 -0.000 0.000 0.243 743 I C 2.419 178.436 176.117 -0.167 0.000 1.085 743 I CA 1.127 62.288 61.300 -0.231 0.000 1.347 743 I CB -0.323 37.442 38.000 -0.391 0.000 1.044 743 I HN 0.119 nan 8.210 nan 0.000 0.408 744 Y N 0.204 120.508 120.300 0.007 0.000 2.224 744 Y HA -0.218 4.332 4.550 -0.000 0.000 0.289 744 Y C 2.998 178.910 175.900 0.019 0.000 1.146 744 Y CA 1.344 59.452 58.100 0.014 0.000 1.182 744 Y CB -1.072 37.386 38.460 -0.005 0.000 0.983 744 Y HN 0.124 nan 8.280 nan 0.000 0.524 745 S N -0.271 115.508 115.700 0.131 0.000 2.359 745 S HA -0.162 4.308 4.470 -0.000 0.000 0.224 745 S C 2.168 176.807 174.600 0.065 0.000 1.035 745 S CA 1.649 59.896 58.200 0.079 0.000 1.018 745 S CB -0.706 62.516 63.200 0.036 0.000 0.876 745 S HN 0.180 nan 8.310 nan 0.000 0.448 746 V N 2.336 122.277 119.914 0.045 0.000 2.270 746 V HA -0.129 3.991 4.120 -0.000 0.000 0.245 746 V C 2.482 178.663 176.094 0.144 0.000 1.043 746 V CA 1.887 64.224 62.300 0.062 0.000 1.014 746 V CB -0.868 30.949 31.823 -0.009 0.000 0.645 746 V HN 0.469 nan 8.190 nan 0.000 0.447 747 L N 0.566 121.895 121.223 0.176 0.000 2.021 747 L HA -0.248 4.092 4.340 -0.000 0.000 0.215 747 L C 2.476 179.423 176.870 0.129 0.000 1.074 747 L CA 1.812 56.757 54.840 0.175 0.000 0.760 747 L CB -0.876 41.281 42.059 0.162 0.000 0.889 747 L HN 0.419 nan 8.230 nan 0.000 0.433 748 N N 0.286 119.059 118.700 0.121 0.000 2.364 748 N HA -0.153 4.586 4.740 -0.000 0.000 0.183 748 N C 1.520 177.076 175.510 0.077 0.000 1.022 748 N CA 1.116 54.221 53.050 0.092 0.000 0.883 748 N CB -0.145 38.392 38.487 0.083 0.000 0.965 748 N HN 0.452 nan 8.380 nan 0.000 0.438 749 K N 0.514 120.963 120.400 0.082 0.000 2.459 749 K HA 0.101 4.421 4.320 -0.000 0.000 0.193 749 K C 0.255 176.902 176.600 0.077 0.000 1.030 749 K CA 0.558 56.888 56.287 0.071 0.000 1.026 749 K CB 0.355 32.894 32.500 0.064 0.000 0.809 749 K HN 0.113 nan 8.250 nan 0.000 0.504 750 K N 0.822 121.276 120.400 0.089 0.000 3.239 750 K HA 0.244 4.563 4.320 -0.000 0.000 0.204 750 K C -0.761 175.872 176.600 0.054 0.000 1.126 750 K CA -0.243 56.090 56.287 0.077 0.000 0.948 750 K CB 0.894 33.459 32.500 0.108 0.000 0.818 750 K HN 0.007 nan 8.250 nan 0.000 0.480 751 R N -0.063 120.470 120.500 0.056 0.000 3.591 751 R HA -0.195 4.144 4.340 -0.000 0.000 0.268 751 R C 0.600 176.935 176.300 0.058 0.000 1.102 751 R CA 0.672 56.804 56.100 0.054 0.000 0.732 751 R CB -1.890 28.437 30.300 0.045 0.000 1.117 751 R HN 0.537 nan 8.270 nan 0.000 0.472 752 G N 0.240 109.079 108.800 0.066 0.000 2.621 752 G HA2 0.311 4.271 3.960 -0.000 0.000 0.271 752 G HA3 0.311 4.271 3.960 -0.000 0.000 0.271 752 G C -0.491 174.467 174.900 0.096 0.000 1.236 752 G CA -0.292 44.851 45.100 0.071 0.000 0.958 752 G HN 0.193 nan 8.290 nan 0.000 0.512 753 Q N -0.643 119.221 119.800 0.107 0.000 2.313 753 Q HA 0.361 4.700 4.340 -0.000 0.000 0.255 753 Q C -1.243 174.796 176.000 0.065 0.000 0.944 753 Q CA -0.623 55.245 55.803 0.108 0.000 0.881 753 Q CB 2.016 30.848 28.738 0.158 0.000 1.375 753 Q HN 0.434 nan 8.270 nan 0.000 0.422 754 V N 3.741 123.703 119.914 0.080 0.000 2.811 754 V HA 0.107 4.227 4.120 -0.000 0.000 0.302 754 V C 0.755 176.836 176.094 -0.022 0.000 1.063 754 V CA 0.051 62.396 62.300 0.074 0.000 1.088 754 V CB 1.231 33.170 31.823 0.194 0.000 0.982 754 V HN 0.806 nan 8.190 nan 0.000 0.485 755 V N 1.874 121.736 119.914 -0.087 0.000 2.996 755 V HA 0.218 4.338 4.120 -0.000 0.000 0.235 755 V C 0.516 176.573 176.094 -0.062 0.000 1.205 755 V CA 1.086 63.295 62.300 -0.152 0.000 1.225 755 V CB 1.103 32.698 31.823 -0.380 0.000 0.995 755 V HN 0.978 nan 8.190 nan 0.000 0.484 756 S N -0.232 115.451 115.700 -0.027 0.000 2.535 756 S HA 0.542 5.012 4.470 -0.000 0.000 0.272 756 S C -1.160 173.478 174.600 0.063 0.000 1.149 756 S CA -0.581 57.627 58.200 0.015 0.000 0.888 756 S CB 2.358 65.555 63.200 -0.006 0.000 1.110 756 S HN 0.334 nan 8.310 nan 0.000 0.463 757 E N 2.116 122.374 120.200 0.096 0.000 2.346 757 E HA 0.311 4.660 4.350 -0.000 0.000 0.239 757 E C -0.185 176.508 176.600 0.154 0.000 0.943 757 E CA -0.375 56.121 56.400 0.159 0.000 0.751 757 E CB 0.571 30.398 29.700 0.211 0.000 1.241 757 E HN 0.793 nan 8.360 nan 0.000 0.423 758 E N 2.932 123.202 120.200 0.117 0.000 2.664 758 E HA 0.475 4.824 4.350 -0.000 0.000 0.245 758 E C -0.155 176.429 176.600 -0.027 0.000 1.016 758 E CA -0.860 55.569 56.400 0.049 0.000 0.963 758 E CB 1.184 30.890 29.700 0.011 0.000 1.360 758 E HN 0.327 nan 8.360 nan 0.000 0.472 764 P HA 0.323 nan 4.420 nan 0.000 0.317 764 P C 0.681 177.931 177.300 -0.085 0.000 1.427 764 P CA -0.365 62.691 63.100 -0.073 0.000 0.820 764 P CB 0.349 32.010 31.700 -0.066 0.000 1.894 765 L N -2.503 118.690 121.223 -0.050 0.000 2.891 765 L HA 0.356 4.696 4.340 -0.000 0.000 0.216 765 L C 0.362 177.171 176.870 -0.102 0.000 1.209 765 L CA -0.725 54.124 54.840 0.016 0.000 0.957 765 L CB -0.295 41.821 42.059 0.095 0.000 1.876 765 L HN 0.078 nan 8.230 nan 0.000 0.532 766 F N -1.006 118.951 119.950 0.012 0.000 2.509 766 F HA 0.502 5.028 4.527 -0.000 0.000 0.334 766 F C 0.072 175.876 175.800 0.007 0.000 1.060 766 F CA -0.431 57.574 58.000 0.009 0.000 0.997 766 F CB 2.069 41.073 39.000 0.008 0.000 1.271 766 F HN 0.325 nan 8.300 nan 0.000 0.488 767 T N -0.596 114.077 114.554 0.198 0.000 3.066 767 T HA 0.593 4.943 4.350 -0.000 0.000 0.318 767 T C -1.361 173.400 174.700 0.102 0.000 0.979 767 T CA -0.726 61.440 62.100 0.110 0.000 1.025 767 T CB 0.298 69.197 68.868 0.052 0.000 1.002 767 T HN 0.298 nan 8.240 nan 0.000 0.453 768 V N 4.129 124.084 119.914 0.068 0.000 2.407 768 V HA 0.507 4.626 4.120 -0.000 0.000 0.278 768 V C 0.215 176.315 176.094 0.009 0.000 1.037 768 V CA -0.671 61.649 62.300 0.033 0.000 0.900 768 V CB 1.385 33.173 31.823 -0.057 0.000 0.983 768 V HN 0.808 nan 8.190 nan 0.000 0.459 769 K N 3.189 123.586 120.400 -0.006 0.000 2.221 769 K HA 0.879 5.198 4.320 -0.000 0.000 0.258 769 K C -0.479 176.056 176.600 -0.108 0.000 0.944 769 K CA -0.385 55.869 56.287 -0.056 0.000 0.823 769 K CB 2.226 34.683 32.500 -0.071 0.000 1.113 769 K HN 0.857 nan 8.250 nan 0.000 0.431 770 A N 2.066 124.797 122.820 -0.149 0.000 2.610 770 A HA 0.554 4.874 4.320 -0.000 0.000 0.291 770 A C -2.009 175.463 177.584 -0.188 0.000 1.086 770 A CA -0.749 51.177 52.037 -0.186 0.000 0.677 770 A CB 0.721 19.694 19.000 -0.046 0.000 1.278 770 A HN 0.519 nan 8.150 nan 0.000 0.414 771 Y N -0.196 120.101 120.300 -0.005 0.000 2.320 771 Y HA 0.635 5.185 4.550 -0.000 0.000 0.334 771 Y C -0.191 175.660 175.900 -0.082 0.000 1.055 771 Y CA -0.889 57.191 58.100 -0.034 0.000 1.143 771 Y CB 1.689 40.177 38.460 0.046 0.000 1.193 771 Y HN 0.565 nan 8.280 nan 0.000 0.477 772 L N 6.560 127.795 121.223 0.021 0.000 2.404 772 L HA 0.658 4.998 4.340 -0.000 0.000 0.272 772 L C -2.783 174.006 176.870 -0.135 0.000 0.980 772 L CA -2.094 52.677 54.840 -0.116 0.000 0.836 772 L CB 1.562 43.429 42.059 -0.319 0.000 1.238 772 L HN 0.350 nan 8.230 nan 0.000 0.408 773 P HA 0.059 nan 4.420 nan 0.000 0.264 773 P C 0.925 178.126 177.300 -0.166 0.000 1.183 773 P CA -0.214 62.824 63.100 -0.103 0.000 0.763 773 P CB 0.835 32.506 31.700 -0.049 0.000 0.807 774 V N 2.410 122.228 119.914 -0.160 0.000 2.407 774 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 774 V C 1.790 177.644 176.094 -0.400 0.000 1.055 774 V CA 2.292 64.452 62.300 -0.233 0.000 1.049 774 V CB -1.233 30.506 31.823 -0.140 0.000 0.662 774 V HN 0.695 nan 8.190 nan 0.000 0.455 775 N N 0.151 118.711 118.700 -0.234 0.000 2.575 775 N HA -0.116 4.624 4.740 -0.000 0.000 0.192 775 N C 1.043 176.414 175.510 -0.232 0.000 1.200 775 N CA 0.707 53.628 53.050 -0.215 0.000 0.897 775 N CB -0.213 38.293 38.487 0.033 0.000 0.990 775 N HN 0.457 nan 8.380 nan 0.000 0.449 776 E N -0.643 119.400 120.200 -0.262 0.000 2.603 776 E HA 0.095 4.445 4.350 -0.000 0.000 0.211 776 E C 0.227 176.717 176.600 -0.183 0.000 0.995 776 E CA 0.140 56.453 56.400 -0.145 0.000 0.990 776 E CB 0.462 30.120 29.700 -0.070 0.000 1.036 776 E HN 0.529 nan 8.360 nan 0.000 0.475 777 S N -0.413 115.041 115.700 -0.410 0.000 2.557 777 S HA 0.193 4.662 4.470 -0.000 0.000 0.223 777 S C 0.334 174.865 174.600 -0.114 0.000 0.969 777 S CA -0.525 57.507 58.200 -0.280 0.000 0.927 777 S CB -0.365 62.629 63.200 -0.344 0.000 0.806 777 S HN -0.076 nan 8.310 nan 0.000 0.489 778 F N 2.744 122.760 119.950 0.109 0.000 2.438 778 F HA 0.618 5.145 4.527 -0.000 0.000 0.360 778 F C 1.624 177.494 175.800 0.118 0.000 1.118 778 F CA -0.408 57.654 58.000 0.103 0.000 1.164 778 F CB 0.389 39.433 39.000 0.074 0.000 1.131 778 F HN 0.291 nan 8.300 nan 0.000 0.527 779 G N 2.679 111.656 108.800 0.295 0.000 2.175 779 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.244 779 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.244 779 G C 1.060 176.057 174.900 0.162 0.000 0.982 779 G CA 0.218 45.432 45.100 0.191 0.000 0.641 779 G HN 0.592 nan 8.290 nan 0.000 0.527 780 F N 1.920 121.906 119.950 0.061 0.000 2.091 780 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 780 F C 2.628 178.442 175.800 0.023 0.000 1.103 780 F CA 2.988 61.004 58.000 0.026 0.000 1.228 780 F CB -0.588 38.414 39.000 0.003 0.000 0.984 780 F HN 0.204 nan 8.300 nan 0.000 0.477 781 T N -0.513 114.081 114.554 0.066 0.000 2.778 781 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 781 T C 2.066 176.686 174.700 -0.132 0.000 1.050 781 T CA 1.761 63.838 62.100 -0.039 0.000 1.137 781 T CB -1.078 67.858 68.868 0.113 0.000 0.860 781 T HN 0.464 nan 8.240 nan 0.000 0.468 782 G N 0.275 109.031 108.800 -0.073 0.000 2.404 782 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.214 782 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.214 782 G C 1.499 176.320 174.900 -0.131 0.000 1.189 782 G CA 0.548 45.607 45.100 -0.068 0.000 0.789 782 G HN 0.576 nan 8.290 nan 0.000 0.533 783 E N -0.281 119.822 120.200 -0.161 0.000 2.265 783 E HA -0.079 4.271 4.350 -0.000 0.000 0.196 783 E C 2.316 178.751 176.600 -0.274 0.000 0.996 783 E CA 0.404 56.699 56.400 -0.176 0.000 0.832 783 E CB -0.048 29.573 29.700 -0.131 0.000 0.756 783 E HN 0.353 nan 8.360 nan 0.000 0.491 784 L N 1.509 122.463 121.223 -0.448 0.000 2.068 784 L HA -0.125 4.215 4.340 -0.000 0.000 0.204 784 L C 2.375 179.068 176.870 -0.295 0.000 1.076 784 L CA 1.608 56.169 54.840 -0.466 0.000 0.753 784 L CB -0.200 41.438 42.059 -0.701 0.000 0.910 784 L HN -0.054 nan 8.230 nan 0.000 0.439 785 R N -1.094 119.251 120.500 -0.258 0.000 2.120 785 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 785 R C 2.133 178.337 176.300 -0.159 0.000 1.123 785 R CA 1.473 57.443 56.100 -0.217 0.000 0.975 785 R CB -0.861 29.329 30.300 -0.183 0.000 0.866 785 R HN 0.329 nan 8.270 nan 0.000 0.446 786 Q N 1.028 120.747 119.800 -0.136 0.000 2.224 786 Q HA 0.052 4.392 4.340 -0.000 0.000 0.203 786 Q C 1.801 177.745 176.000 -0.094 0.000 0.970 786 Q CA 1.887 57.632 55.803 -0.096 0.000 0.865 786 Q CB -0.051 28.641 28.738 -0.077 0.000 0.922 786 Q HN 0.534 nan 8.270 nan 0.000 0.445 787 A N -1.046 121.702 122.820 -0.119 0.000 2.238 787 A HA 0.093 4.413 4.320 -0.000 0.000 0.210 787 A C 1.478 178.999 177.584 -0.105 0.000 1.179 787 A CA 0.998 52.975 52.037 -0.101 0.000 0.827 787 A CB -0.022 18.914 19.000 -0.106 0.000 0.856 787 A HN 0.398 nan 8.150 nan 0.000 0.488 788 T N -5.284 109.192 114.554 -0.129 0.000 3.145 788 T HA 0.426 4.776 4.350 -0.000 0.000 0.281 788 T C 1.068 175.699 174.700 -0.114 0.000 1.003 788 T CA 0.865 62.889 62.100 -0.127 0.000 0.901 788 T CB -0.073 68.697 68.868 -0.163 0.000 1.112 788 T HN 1.551 nan 8.240 nan 0.000 0.535 789 G N 1.100 109.840 108.800 -0.099 0.000 2.273 789 G HA2 0.125 4.085 3.960 -0.000 0.000 0.280 789 G HA3 0.125 4.085 3.960 -0.000 0.000 0.280 789 G C 1.118 175.957 174.900 -0.102 0.000 1.047 789 G CA 0.256 45.308 45.100 -0.080 0.000 0.869 789 G HN 1.840 nan 8.290 nan 0.000 0.502 790 G N -1.500 107.210 108.800 -0.150 0.000 2.203 790 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.263 790 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.263 790 G C 0.837 175.560 174.900 -0.295 0.000 1.012 790 G CA 1.352 46.327 45.100 -0.209 0.000 0.749 790 G HN 0.963 nan 8.290 nan 0.000 0.512 791 Q N -0.852 118.788 119.800 -0.267 0.000 2.378 791 Q HA 0.497 4.837 4.340 -0.000 0.000 0.216 791 Q C 1.467 177.265 176.000 -0.337 0.000 0.892 791 Q CA 0.578 56.243 55.803 -0.230 0.000 0.931 791 Q CB 0.707 29.393 28.738 -0.086 0.000 1.086 791 Q HN 0.771 nan 8.270 nan 0.000 0.528 792 A N 0.727 123.302 122.820 -0.408 0.000 2.310 792 A HA 0.564 4.884 4.320 -0.000 0.000 0.299 792 A C -1.012 176.236 177.584 -0.561 0.000 1.147 792 A CA -0.226 51.619 52.037 -0.321 0.000 0.818 792 A CB 0.215 19.091 19.000 -0.205 0.000 1.096 792 A HN 0.164 nan 8.150 nan 0.000 0.495 793 F N 3.795 123.736 119.950 -0.015 0.000 2.434 793 F HA 0.391 4.918 4.527 -0.000 0.000 0.355 793 F C -2.000 173.829 175.800 0.049 0.000 1.115 793 F CA -2.022 55.982 58.000 0.006 0.000 1.010 793 F CB 2.108 41.101 39.000 -0.012 0.000 1.234 793 F HN 0.389 nan 8.300 nan 0.000 0.439 794 P HA 0.212 nan 4.420 nan 0.000 0.276 794 P C -1.415 176.003 177.300 0.196 0.000 1.244 794 P CA -0.462 62.772 63.100 0.223 0.000 0.801 794 P CB 2.020 33.914 31.700 0.322 0.000 1.006 795 Q N 1.026 120.914 119.800 0.146 0.000 2.295 795 Q HA 0.567 4.906 4.340 -0.000 0.000 0.268 795 Q C -1.602 174.437 176.000 0.066 0.000 1.010 795 Q CA -0.475 55.391 55.803 0.105 0.000 0.856 795 Q CB 1.733 30.522 28.738 0.084 0.000 1.349 795 Q HN 0.409 nan 8.270 nan 0.000 0.412 796 M N 2.768 122.400 119.600 0.054 0.000 2.386 796 M HA 0.636 5.116 4.480 -0.000 0.000 0.293 796 M C -1.482 174.833 176.300 0.025 0.000 1.120 796 M CA -1.016 54.294 55.300 0.017 0.000 0.909 796 M CB 2.528 35.120 32.600 -0.012 0.000 1.661 796 M HN 0.384 nan 8.290 nan 0.000 0.452 797 V N 2.826 122.748 119.914 0.013 0.000 2.841 797 V HA 0.553 4.672 4.120 -0.000 0.000 0.310 797 V C -1.466 174.639 176.094 0.019 0.000 1.090 797 V CA -0.702 61.614 62.300 0.028 0.000 0.930 797 V CB 2.329 34.164 31.823 0.020 0.000 1.014 797 V HN 0.731 nan 8.190 nan 0.000 0.425 798 F N 4.717 124.605 119.950 -0.103 0.000 2.608 798 F HA 0.240 4.766 4.527 -0.000 0.000 0.380 798 F C 0.734 176.440 175.800 -0.156 0.000 1.083 798 F CA 1.073 58.971 58.000 -0.170 0.000 1.266 798 F CB 1.045 39.920 39.000 -0.207 0.000 1.076 798 F HN 0.814 nan 8.300 nan 0.000 0.574 799 D N 2.761 122.530 120.400 -1.052 0.000 2.995 799 D HA 0.076 4.716 4.640 -0.000 0.000 0.289 799 D C -0.471 175.219 176.300 -1.016 0.000 1.116 799 D CA 0.685 54.207 54.000 -0.796 0.000 0.994 799 D CB 0.270 40.883 40.800 -0.312 0.000 1.209 799 D HN 0.672 nan 8.370 nan 0.000 0.458 800 H N -2.801 115.596 119.070 -1.123 0.000 3.014 800 H HA 0.209 4.765 4.556 -0.000 0.000 0.337 800 H C -1.477 173.598 175.328 -0.422 0.000 1.320 800 H CA -1.091 54.536 56.048 -0.703 0.000 1.128 800 H CB -0.388 29.148 29.762 -0.377 0.000 1.862 800 H HN 0.019 nan 8.280 nan 0.000 0.536 801 W N 1.198 122.590 121.300 0.153 0.000 2.261 801 W HA 0.440 5.099 4.660 -0.001 0.000 0.323 801 W C 0.565 177.199 176.519 0.191 0.000 1.243 801 W CA -0.135 57.330 57.345 0.200 0.000 1.210 801 W CB 1.398 30.971 29.460 0.189 0.000 1.149 801 W HN 0.507 nan 8.180 nan 0.000 0.562 802 S N 1.700 117.658 115.700 0.430 0.000 2.561 802 S HA 0.431 4.901 4.470 -0.000 0.000 0.303 802 S C -0.529 174.229 174.600 0.264 0.000 1.110 802 S CA -0.721 57.658 58.200 0.300 0.000 1.034 802 S CB 0.651 63.995 63.200 0.240 0.000 1.010 802 S HN 0.308 nan 8.310 nan 0.000 0.482 803 T N 5.838 120.508 114.554 0.193 0.000 2.752 803 T HA 0.291 4.641 4.350 -0.000 0.000 0.295 803 T C 0.138 174.917 174.700 0.133 0.000 0.923 803 T CA -0.155 62.041 62.100 0.161 0.000 1.112 803 T CB -0.130 68.804 68.868 0.111 0.000 0.884 803 T HN 0.537 nan 8.240 nan 0.000 0.525 804 L N 3.044 124.353 121.223 0.142 0.000 2.360 804 L HA 0.291 4.631 4.340 -0.000 0.000 0.276 804 L C 1.770 178.685 176.870 0.074 0.000 1.121 804 L CA -0.350 54.555 54.840 0.108 0.000 0.845 804 L CB 0.598 42.724 42.059 0.111 0.000 1.143 804 L HN 0.861 nan 8.230 nan 0.000 0.452 805 G N 1.733 110.567 108.800 0.057 0.000 2.484 805 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.218 805 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.218 805 G C 0.792 175.708 174.900 0.027 0.000 1.130 805 G CA 0.238 45.361 45.100 0.038 0.000 0.784 805 G HN 0.651 nan 8.290 nan 0.000 0.543 806 S N 0.229 115.946 115.700 0.028 0.000 2.584 806 S HA 0.193 4.663 4.470 -0.000 0.000 0.270 806 S C -0.239 174.367 174.600 0.011 0.000 1.346 806 S CA -0.667 57.543 58.200 0.016 0.000 1.018 806 S CB 1.535 64.741 63.200 0.011 0.000 0.899 806 S HN 0.136 nan 8.310 nan 0.000 0.542 807 D N 1.441 121.844 120.400 0.005 0.000 2.358 807 D HA 0.194 4.834 4.640 -0.000 0.000 0.258 807 D C -1.657 174.640 176.300 -0.006 0.000 1.223 807 D CA -1.953 52.050 54.000 0.005 0.000 0.886 807 D CB 1.091 41.895 40.800 0.007 0.000 1.120 807 D HN 0.174 nan 8.370 nan 0.000 0.482 808 P HA -0.065 nan 4.420 nan 0.000 0.222 808 P C 1.043 178.323 177.300 -0.033 0.000 1.147 808 P CA 0.439 63.524 63.100 -0.026 0.000 0.790 808 P CB 0.333 32.050 31.700 0.027 0.000 0.780 809 L N -1.402 119.823 121.223 0.004 0.000 2.591 809 L HA 0.119 4.458 4.340 -0.000 0.000 0.228 809 L C 0.652 177.520 176.870 -0.004 0.000 1.133 809 L CA 0.749 55.594 54.840 0.010 0.000 0.880 809 L CB -0.939 41.147 42.059 0.044 0.000 1.033 809 L HN -0.086 nan 8.230 nan 0.000 0.450 810 D N -0.113 120.279 120.400 -0.013 0.000 2.443 810 D HA 0.198 4.838 4.640 -0.000 0.000 0.221 810 D C -1.789 174.494 176.300 -0.030 0.000 1.097 810 D CA -2.371 51.620 54.000 -0.014 0.000 0.865 810 D CB 1.643 42.438 40.800 -0.008 0.000 1.034 810 D HN -0.096 nan 8.370 nan 0.000 0.511 811 P HA -0.138 nan 4.420 nan 0.000 0.221 811 P C 0.892 178.170 177.300 -0.036 0.000 1.141 811 P CA 1.392 64.467 63.100 -0.041 0.000 0.794 811 P CB 0.193 31.874 31.700 -0.031 0.000 0.764 812 T N -6.191 108.347 114.554 -0.025 0.000 3.054 812 T HA 0.163 4.512 4.350 -0.000 0.000 0.255 812 T C 0.820 175.511 174.700 -0.016 0.000 1.035 812 T CA -0.213 61.876 62.100 -0.018 0.000 0.941 812 T CB -0.429 68.433 68.868 -0.010 0.000 1.026 812 T HN 0.104 nan 8.240 nan 0.000 0.533 813 S N 0.874 116.562 115.700 -0.020 0.000 2.669 813 S HA 0.421 4.890 4.470 -0.000 0.000 0.270 813 S C 1.129 175.716 174.600 -0.022 0.000 1.225 813 S CA -0.971 57.221 58.200 -0.014 0.000 0.991 813 S CB 1.521 64.714 63.200 -0.012 0.000 0.987 813 S HN 0.204 nan 8.310 nan 0.000 0.552 814 K N 0.616 121.011 120.400 -0.009 0.000 2.032 814 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 814 K C 2.430 179.008 176.600 -0.036 0.000 1.048 814 K CA 1.519 57.801 56.287 -0.007 0.000 0.927 814 K CB -0.802 31.708 32.500 0.018 0.000 0.712 814 K HN 0.730 nan 8.250 nan 0.000 0.441 815 A N 1.211 124.007 122.820 -0.040 0.000 1.873 815 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 815 A C 2.471 179.962 177.584 -0.155 0.000 1.186 815 A CA 1.868 53.853 52.037 -0.086 0.000 0.616 815 A CB -1.208 17.768 19.000 -0.040 0.000 0.823 815 A HN 0.434 nan 8.150 nan 0.000 0.442 816 G N -0.265 108.470 108.800 -0.108 0.000 2.442 816 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 816 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 816 G C 1.393 176.207 174.900 -0.143 0.000 1.141 816 G CA 1.040 46.067 45.100 -0.123 0.000 0.763 816 G HN 0.685 nan 8.290 nan 0.000 0.554 817 E N 0.098 120.231 120.200 -0.111 0.000 2.077 817 E HA -0.068 4.281 4.350 -0.000 0.000 0.193 817 E C 2.515 179.029 176.600 -0.144 0.000 0.989 817 E CA 0.663 57.006 56.400 -0.096 0.000 0.800 817 E CB -0.161 29.507 29.700 -0.054 0.000 0.746 817 E HN 0.495 nan 8.360 nan 0.000 0.452 818 I N 0.907 121.357 120.570 -0.199 0.000 2.226 818 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 818 I C 2.388 178.229 176.117 -0.461 0.000 1.100 818 I CA 0.791 61.914 61.300 -0.294 0.000 1.374 818 I CB -0.190 37.553 38.000 -0.427 0.000 1.057 818 I HN -0.024 nan 8.210 nan 0.000 0.413 819 V N 0.632 120.200 119.914 -0.576 0.000 2.427 819 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 819 V C 2.317 178.175 176.094 -0.394 0.000 1.051 819 V CA 1.429 63.250 62.300 -0.797 0.000 1.048 819 V CB -0.394 31.051 31.823 -0.630 0.000 0.666 819 V HN 0.358 nan 8.190 nan 0.000 0.456 820 L N 0.794 121.878 121.223 -0.231 0.000 2.093 820 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 820 L C 2.391 179.208 176.870 -0.087 0.000 1.085 820 L CA 2.227 56.995 54.840 -0.121 0.000 0.755 820 L CB -0.867 41.140 42.059 -0.086 0.000 0.904 820 L HN 0.202 nan 8.230 nan 0.000 0.435 821 A N -0.499 122.261 122.820 -0.100 0.000 1.898 821 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 821 A C 2.428 179.986 177.584 -0.042 0.000 1.181 821 A CA 1.562 53.564 52.037 -0.059 0.000 0.620 821 A CB -1.053 17.920 19.000 -0.046 0.000 0.819 821 A HN 0.534 nan 8.150 nan 0.000 0.442 822 A N -0.324 122.477 122.820 -0.031 0.000 1.930 822 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 822 A C 2.242 179.911 177.584 0.142 0.000 1.175 822 A CA 1.334 53.428 52.037 0.094 0.000 0.627 822 A CB -0.418 18.820 19.000 0.395 0.000 0.815 822 A HN 0.524 nan 8.150 nan 0.000 0.443 823 R N -0.114 120.458 120.500 0.119 0.000 2.073 823 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 823 R C 2.173 178.525 176.300 0.086 0.000 1.134 823 R CA 1.611 57.796 56.100 0.142 0.000 0.952 823 R CB -0.264 30.080 30.300 0.073 0.000 0.850 823 R HN 0.481 nan 8.270 nan 0.000 0.433 824 K N 0.219 120.634 120.400 0.024 0.000 2.057 824 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 824 K C 2.154 178.750 176.600 -0.007 0.000 1.050 824 K CA 0.987 57.279 56.287 0.009 0.000 0.935 824 K CB -0.184 32.312 32.500 -0.008 0.000 0.715 824 K HN 0.082 nan 8.250 nan 0.000 0.439 825 R N 0.458 120.920 120.500 -0.064 0.000 2.159 825 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 825 R C 1.335 177.532 176.300 -0.171 0.000 1.131 825 R CA 1.267 57.278 56.100 -0.148 0.000 0.982 825 R CB 0.029 30.181 30.300 -0.247 0.000 0.868 825 R HN 0.320 nan 8.270 nan 0.000 0.453 826 H N -1.580 117.526 119.070 0.060 0.000 2.586 826 H HA 0.195 4.751 4.556 -0.001 0.000 0.273 826 H C 0.861 176.215 175.328 0.043 0.000 0.997 826 H CA 0.664 56.746 56.048 0.056 0.000 1.177 826 H CB 1.030 30.836 29.762 0.072 0.000 1.471 826 H HN 0.458 nan 8.280 nan 0.000 0.538 827 G N 1.555 110.429 108.800 0.123 0.000 2.198 827 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 827 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 827 G C 0.286 175.234 174.900 0.079 0.000 1.025 827 G CA 0.485 45.635 45.100 0.082 0.000 0.769 827 G HN 0.256 nan 8.290 nan 0.000 0.507 828 M N -1.015 118.642 119.600 0.095 0.000 2.369 828 M HA 0.557 5.037 4.480 -0.000 0.000 0.291 828 M C 0.706 177.035 176.300 0.050 0.000 1.178 828 M CA -0.895 54.450 55.300 0.075 0.000 0.996 828 M CB 0.769 33.426 32.600 0.096 0.000 1.472 828 M HN 0.051 nan 8.290 nan 0.000 0.496 829 K N 0.920 121.341 120.400 0.035 0.000 2.295 829 K HA 0.045 4.365 4.320 -0.000 0.000 0.270 829 K C 0.430 177.042 176.600 0.020 0.000 1.011 829 K CA 0.504 56.803 56.287 0.020 0.000 0.953 829 K CB 0.604 33.109 32.500 0.009 0.000 0.956 829 K HN 0.618 nan 8.250 nan 0.000 0.477 830 E N 2.084 122.290 120.200 0.010 0.000 2.031 830 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 830 E C -0.361 176.239 176.600 -0.000 0.000 0.994 830 E CA 1.220 57.622 56.400 0.003 0.000 0.800 830 E CB -0.042 29.655 29.700 -0.005 0.000 0.752 830 E HN 0.647 nan 8.360 nan 0.000 0.447 831 E N 1.452 121.651 120.200 -0.002 0.000 2.414 831 E HA 0.052 4.402 4.350 -0.000 0.000 0.263 831 E C -0.767 175.838 176.600 0.009 0.000 1.000 831 E CA -0.269 56.130 56.400 -0.002 0.000 0.914 831 E CB 1.261 30.956 29.700 -0.008 0.000 0.948 831 E HN -0.095 nan 8.360 nan 0.000 0.444 832 V N 5.789 125.714 119.914 0.018 0.000 2.455 832 V HA 0.111 4.231 4.120 -0.000 0.000 0.273 832 V C -1.923 174.203 176.094 0.054 0.000 1.045 832 V CA -1.613 60.713 62.300 0.042 0.000 0.976 832 V CB 0.628 32.483 31.823 0.052 0.000 0.993 832 V HN 0.605 nan 8.190 nan 0.000 0.475 833 P HA 0.172 nan 4.420 nan 0.000 0.264 833 P C 0.378 177.771 177.300 0.156 0.000 1.193 833 P CA 0.362 63.502 63.100 0.066 0.000 0.763 833 P CB 0.497 32.224 31.700 0.044 0.000 0.810 834 G N 2.624 111.473 108.800 0.081 0.000 2.580 834 G HA2 0.110 4.070 3.960 -0.000 0.000 0.278 834 G HA3 0.110 4.070 3.960 -0.000 0.000 0.278 834 G C 0.904 175.934 174.900 0.216 0.000 1.212 834 G CA -0.680 44.486 45.100 0.110 0.000 0.939 834 G HN 0.724 nan 8.290 nan 0.000 0.513 835 W N -0.157 121.263 121.300 0.200 0.000 2.325 835 W HA -0.191 4.469 4.660 0.000 0.000 0.299 835 W C 1.454 178.129 176.519 0.260 0.000 1.215 835 W CA 1.205 58.703 57.345 0.255 0.000 1.244 835 W CB -0.649 28.893 29.460 0.137 0.000 1.140 835 W HN 0.510 nan 8.180 nan 0.000 0.523 836 Q N 1.083 120.496 119.800 -0.645 0.000 2.248 836 Q HA -0.186 4.154 4.340 -0.000 0.000 0.208 836 Q C 1.953 177.871 176.000 -0.138 0.000 0.984 836 Q CA 2.125 57.554 55.803 -0.623 0.000 0.875 836 Q CB -0.559 27.682 28.738 -0.829 0.000 0.910 836 Q HN 0.323 nan 8.270 nan 0.000 0.433 837 E N -0.805 119.327 120.200 -0.114 0.000 2.409 837 E HA -0.127 4.223 4.350 -0.000 0.000 0.198 837 E C 0.494 176.891 176.600 -0.338 0.000 1.024 837 E CA 0.902 57.146 56.400 -0.260 0.000 0.861 837 E CB 0.123 29.564 29.700 -0.432 0.000 0.788 837 E HN 0.595 nan 8.360 nan 0.000 0.521 838 Y N -2.138 118.244 120.300 0.135 0.000 2.527 838 Y HA 0.153 4.702 4.550 -0.000 0.000 0.247 838 Y C 0.157 176.174 175.900 0.194 0.000 1.138 838 Y CA -0.637 57.558 58.100 0.159 0.000 1.228 838 Y CB 0.236 38.822 38.460 0.211 0.000 1.252 838 Y HN -0.089 nan 8.280 nan 0.000 0.531 839 Y N 2.345 122.789 120.300 0.240 0.000 2.326 839 Y HA 0.363 4.913 4.550 -0.001 0.000 0.337 839 Y C -0.569 175.388 175.900 0.095 0.000 1.023 839 Y CA -0.975 57.254 58.100 0.215 0.000 1.143 839 Y CB 0.648 39.333 38.460 0.375 0.000 1.183 839 Y HN 0.030 nan 8.280 nan 0.000 0.485 840 D N 7.056 127.248 120.400 -0.348 0.000 2.472 840 D HA 0.123 4.763 4.640 -0.000 0.000 0.234 840 D C -0.497 175.602 176.300 -0.335 0.000 1.088 840 D CA -0.461 53.401 54.000 -0.229 0.000 0.882 840 D CB 1.175 41.863 40.800 -0.186 0.000 1.037 840 D HN 0.536 nan 8.370 nan 0.000 0.520 841 K N 2.109 122.469 120.400 -0.067 0.000 2.518 841 K HA 0.075 4.395 4.320 -0.000 0.000 0.276 841 K C 0.457 177.053 176.600 -0.007 0.000 0.974 841 K CA -0.191 56.140 56.287 0.073 0.000 0.986 841 K CB 0.817 33.431 32.500 0.190 0.000 0.901 841 K HN 0.353 nan 8.250 nan 0.000 0.497 842 L N 0.000 121.245 121.223 0.036 0.000 2.949 842 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 842 L CA 0.000 54.859 54.840 0.032 0.000 0.813 842 L CB 0.000 42.109 42.059 0.083 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502