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 2wyi_1_B DATA FIRST_RESID 3 DATA SEQUENCE TKKVHIISHS HWDREWYMAY EQHHMRLINL IDDLLEVFQT DPDFHSFHLD DATA SEQUENCE GQTIILDDYL KVRPEREPEI RQAIASGKLR IGPFYILQDD FLTSSESNVR DATA SEQUENCE NMLIGKEDCD RWGASVPLGY FPDTFGNMGQ TPQLMLKAGL QAAAFGRGIR DATA SEQUENCE PTGFNNQVDT SEKYSSQFSE ISWQGPDNSR ILGLLFANWY SNGNEIPTTE DATA SEQUENCE AEARLFWDKK LADAERFAST KHLLMMNGCD HQPVQLDVTK AIALANQLYP DATA SEQUENCE DYEFVHSCFE DYLADLADDL PENLSTVQGE ITSQETDGWY TLANTASARI DATA SEQUENCE YLKQANTRVS RQLENITEPL AAMAYEVTST YPHDQLRYAW KTLMQNHPHD DATA SEQUENCE SICGCSVDSV HREMMTRFEK AYEVGHYLAK EAAKQIADAI DTRDFPMDSQ DATA SEQUENCE PFVLFNTSGH SKTSVAELSL TWKKYHFGQR FPKEVYQEAQ EYLARLSQSF DATA SEQUENCE QIIDTSGQVR PEAEILGTSI AFDYDLPKRS FREPYFAIKV RLRLPITLPA DATA SEQUENCE MSWKTLALKL GNEXXXSETV SLYDDSNQCL ENGFLKVMIQ TDGRLTITDK DATA SEQUENCE QSGLIYQDLL RFEDCGDIGN EYISRQPNHD QPFYADQGTI KLNIISNTAQ DATA SEQUENCE VAELEIQQTF AIPISADKLL QAEMEAVIDI TERQARRSQE KAELTLTTLI DATA SEQUENCE RMEKNNPRLQ FTTRFDNQMT NHRLRVLFPT HLKTDHHLAD SIFETVKRPN DATA SEQUENCE HPDATFWKNP SNPQHQECFV SLFDGENGVT IGNYGLNEYE ILPDTNTIAI DATA SEQUENCE TLLRSVGEMG DWGYFPTPEA QCLGKHSLSY SFESITKQTQ FASYWRAQEG DATA SEQUENCE QVPVITTQTN QHEGTLAAEY SYLTGTNDQV ALTAFKRRLA DNALITRSYN DATA SEQUENCE LSNDKTCDFS LSLPNYNAKV TNLLEKDSKQ STPSQLGKAE ILTLAWKKQ 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 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.509 174.700 -0.319 0.000 1.109 3 T CA 0.000 61.949 62.100 -0.252 0.000 1.349 3 T CB 0.000 68.734 68.868 -0.223 0.000 0.612 4 K N 1.356 121.495 120.400 -0.435 0.000 2.259 4 K HA 0.607 4.954 4.320 0.045 0.000 0.252 4 K C -1.189 175.215 176.600 -0.327 0.000 0.936 4 K CA -0.569 55.477 56.287 -0.401 0.000 0.810 4 K CB 2.965 35.176 32.500 -0.482 0.000 1.143 4 K HN 0.162 nan 8.250 nan 0.000 0.427 5 K N 2.433 122.671 120.400 -0.269 0.000 2.425 5 K HA 0.261 4.607 4.320 0.045 0.000 0.259 5 K C -0.953 175.580 176.600 -0.111 0.000 0.978 5 K CA -0.560 55.599 56.287 -0.214 0.000 0.883 5 K CB 1.157 33.555 32.500 -0.170 0.000 1.110 5 K HN 0.276 nan 8.250 nan 0.000 0.436 6 V N 5.371 125.128 119.914 -0.262 0.000 2.334 6 V HA 0.157 4.303 4.120 0.045 0.000 0.267 6 V C 0.098 176.136 176.094 -0.093 0.000 1.040 6 V CA -0.729 61.457 62.300 -0.191 0.000 0.866 6 V CB 0.403 31.887 31.823 -0.565 0.000 1.019 6 V HN 0.695 nan 8.190 nan 0.000 0.468 7 H N 5.629 124.720 119.070 0.035 0.000 2.864 7 H HA 0.304 4.887 4.556 0.045 0.000 0.281 7 H C -0.262 175.056 175.328 -0.018 0.000 1.093 7 H CA -0.328 55.722 56.048 0.004 0.000 1.453 7 H CB 1.125 30.886 29.762 -0.002 0.000 1.462 7 H HN 0.449 nan 8.280 nan 0.000 0.480 8 I N 6.051 126.689 120.570 0.114 0.000 2.301 8 I HA 0.151 4.348 4.170 0.045 0.000 0.292 8 I C 0.591 176.746 176.117 0.065 0.000 1.046 8 I CA -0.133 61.265 61.300 0.162 0.000 1.282 8 I CB 0.348 38.505 38.000 0.262 0.000 1.409 8 I HN 0.396 nan 8.210 nan 0.000 0.484 9 I N 5.308 125.847 120.570 -0.052 0.000 2.330 9 I HA 0.167 4.364 4.170 0.045 0.000 0.286 9 I C 0.569 176.678 176.117 -0.014 0.000 1.025 9 I CA -0.172 61.020 61.300 -0.180 0.000 1.197 9 I CB 1.128 38.803 38.000 -0.542 0.000 1.358 9 I HN 0.487 nan 8.210 nan 0.000 0.467 10 S N 5.543 121.266 115.700 0.038 0.000 2.549 10 S HA 0.314 4.811 4.470 0.045 0.000 0.279 10 S C -0.367 174.022 174.600 -0.352 0.000 1.321 10 S CA -0.194 58.056 58.200 0.083 0.000 1.054 10 S CB 0.284 63.736 63.200 0.420 0.000 0.899 10 S HN 0.792 nan 8.310 nan 0.000 0.497 11 H N -0.861 117.844 119.070 -0.610 0.000 2.918 11 H HA 0.769 5.352 4.556 0.045 0.000 0.303 11 H C -1.181 173.996 175.328 -0.252 0.000 1.380 11 H CA -0.976 54.589 56.048 -0.806 0.000 1.134 11 H CB 1.053 30.698 29.762 -0.195 0.000 1.842 11 H HN 0.450 nan 8.280 nan 0.000 0.533 12 S N -0.222 115.421 115.700 -0.095 0.000 2.575 12 S HA 0.223 4.720 4.470 0.045 0.000 0.278 12 S C -1.870 172.903 174.600 0.287 0.000 1.139 12 S CA -0.698 57.580 58.200 0.130 0.000 0.954 12 S CB 0.668 64.185 63.200 0.528 0.000 1.054 12 S HN 0.787 nan 8.310 nan 0.000 0.483 13 H N 4.225 123.327 119.070 0.053 0.000 2.911 13 H HA 0.268 4.851 4.556 0.045 0.000 0.273 13 H C -0.909 174.362 175.328 -0.095 0.000 1.157 13 H CA -0.107 55.917 56.048 -0.040 0.000 1.402 13 H CB 0.136 29.699 29.762 -0.331 0.000 1.463 13 H HN 0.569 nan 8.280 nan 0.000 0.475 14 W N 7.365 128.464 121.300 -0.334 0.000 2.289 14 W HA 0.183 4.870 4.660 0.045 0.000 0.342 14 W C -0.980 175.337 176.519 -0.336 0.000 0.958 14 W CA -0.860 56.323 57.345 -0.270 0.000 1.492 14 W CB 0.585 30.033 29.460 -0.020 0.000 1.336 14 W HN 0.608 nan 8.180 nan 0.000 0.371 15 D N 3.745 123.718 120.400 -0.711 0.000 2.401 15 D HA -0.037 4.630 4.640 0.045 0.000 0.254 15 D C 1.451 177.620 176.300 -0.219 0.000 1.192 15 D CA 0.332 54.064 54.000 -0.447 0.000 0.885 15 D CB 1.381 41.906 40.800 -0.458 0.000 1.147 15 D HN 0.341 nan 8.370 nan 0.000 0.478 16 R N 2.309 122.768 120.500 -0.068 0.000 2.091 16 R HA -0.163 4.204 4.340 0.045 0.000 0.238 16 R C 0.291 176.651 176.300 0.101 0.000 1.136 16 R CA 1.342 57.526 56.100 0.140 0.000 0.959 16 R CB 0.316 30.663 30.300 0.077 0.000 0.856 16 R HN 0.659 nan 8.270 nan 0.000 0.437 17 E N -2.717 117.430 120.200 -0.087 0.000 2.335 17 E HA 0.163 4.540 4.350 0.045 0.000 0.280 17 E C -1.124 175.428 176.600 -0.080 0.000 0.918 17 E CA -0.930 55.426 56.400 -0.073 0.000 0.765 17 E CB 1.056 30.826 29.700 0.117 0.000 1.218 17 E HN 0.117 nan 8.360 nan 0.000 0.425 18 W N 2.877 123.985 121.300 -0.321 0.000 4.483 18 W HA 0.157 4.844 4.660 0.045 0.000 0.423 18 W C 0.366 176.861 176.519 -0.041 0.000 3.472 18 W CA 0.261 57.519 57.345 -0.146 0.000 1.137 18 W CB -0.516 28.885 29.460 -0.100 0.000 2.116 18 W HN 0.620 nan 8.180 nan 0.000 0.348 19 Y N 0.950 121.105 120.300 -0.240 0.000 2.546 19 Y HA 0.526 5.103 4.550 0.044 0.000 0.287 19 Y C 0.712 176.458 175.900 -0.256 0.000 1.158 19 Y CA 0.252 57.943 58.100 -0.682 0.000 1.307 19 Y CB -0.470 37.123 38.460 -1.444 0.000 1.036 19 Y HN -0.294 nan 8.280 nan 0.000 0.532 20 M N 0.580 120.043 119.600 -0.229 0.000 2.690 20 M HA 0.677 5.184 4.480 0.045 0.000 0.302 20 M C -0.085 176.187 176.300 -0.047 0.000 1.234 20 M CA -1.201 53.968 55.300 -0.217 0.000 0.853 20 M CB 1.946 34.181 32.600 -0.609 0.000 1.748 20 M HN 0.063 nan 8.290 nan 0.000 0.469 21 A N 0.452 123.249 122.820 -0.037 0.000 2.507 21 A HA -0.019 4.328 4.320 0.045 0.000 0.235 21 A C 0.479 178.138 177.584 0.126 0.000 1.070 21 A CA 0.141 52.207 52.037 0.049 0.000 0.768 21 A CB -0.183 18.837 19.000 0.035 0.000 1.011 21 A HN 0.951 nan 8.150 nan 0.000 0.502 22 Y N 0.690 121.042 120.300 0.088 0.000 2.081 22 Y HA -0.248 4.328 4.550 0.045 0.000 0.280 22 Y C 1.997 178.001 175.900 0.173 0.000 1.163 22 Y CA 2.702 60.884 58.100 0.136 0.000 1.135 22 Y CB -0.048 38.442 38.460 0.050 0.000 0.970 22 Y HN 0.748 nan 8.280 nan 0.000 0.498 23 E N 0.230 120.370 120.200 -0.099 0.000 2.160 23 E HA -0.219 4.158 4.350 0.045 0.000 0.195 23 E C 2.104 178.623 176.600 -0.134 0.000 0.991 23 E CA 1.242 57.545 56.400 -0.161 0.000 0.810 23 E CB -0.286 29.431 29.700 0.029 0.000 0.742 23 E HN 0.650 nan 8.360 nan 0.000 0.466 24 Q N -0.073 119.649 119.800 -0.130 0.000 2.084 24 Q HA -0.153 4.214 4.340 0.045 0.000 0.202 24 Q C 2.111 177.985 176.000 -0.209 0.000 0.978 24 Q CA 1.106 56.797 55.803 -0.186 0.000 0.844 24 Q CB -0.381 28.196 28.738 -0.269 0.000 0.898 24 Q HN 0.577 nan 8.270 nan 0.000 0.426 25 H N -1.034 117.969 119.070 -0.112 0.000 2.395 25 H HA -0.075 4.508 4.556 0.045 0.000 0.299 25 H C 2.021 177.482 175.328 0.221 0.000 1.070 25 H CA 1.157 57.200 56.048 -0.008 0.000 1.356 25 H CB -0.243 29.480 29.762 -0.065 0.000 1.401 25 H HN 0.517 nan 8.280 nan 0.000 0.524 26 H N 0.134 119.141 119.070 -0.105 0.000 2.319 26 H HA -0.131 4.452 4.556 0.045 0.000 0.299 26 H C 1.986 177.279 175.328 -0.058 0.000 1.092 26 H CA 1.012 56.929 56.048 -0.219 0.000 1.302 26 H CB 0.372 29.738 29.762 -0.659 0.000 1.373 26 H HN 0.092 nan 8.280 nan 0.000 0.497 27 M N 0.351 119.928 119.600 -0.038 0.000 2.175 27 M HA -0.109 4.398 4.480 0.045 0.000 0.264 27 M C 2.280 178.585 176.300 0.008 0.000 1.063 27 M CA 1.317 56.563 55.300 -0.089 0.000 1.119 27 M CB -0.750 31.799 32.600 -0.085 0.000 1.377 27 M HN 0.310 nan 8.290 nan 0.000 0.415 28 R N -0.301 120.276 120.500 0.128 0.000 2.115 28 R HA -0.080 4.287 4.340 0.045 0.000 0.226 28 R C 2.146 178.533 176.300 0.145 0.000 1.100 28 R CA 0.680 56.919 56.100 0.231 0.000 0.980 28 R CB -0.502 30.025 30.300 0.378 0.000 0.875 28 R HN 0.180 nan 8.270 nan 0.000 0.445 29 L N 1.226 122.471 121.223 0.036 0.000 2.012 29 L HA -0.196 4.171 4.340 0.045 0.000 0.210 29 L C 1.883 178.595 176.870 -0.264 0.000 1.073 29 L CA 1.707 56.217 54.840 -0.549 0.000 0.748 29 L CB -0.321 41.453 42.059 -0.474 0.000 0.891 29 L HN 0.080 nan 8.230 nan 0.000 0.431 30 I N 0.204 120.746 120.570 -0.047 0.000 2.194 30 I HA -0.318 3.879 4.170 0.045 0.000 0.246 30 I C 2.192 178.304 176.117 -0.007 0.000 1.093 30 I CA 1.345 62.691 61.300 0.076 0.000 1.355 30 I CB -1.904 36.094 38.000 -0.004 0.000 1.046 30 I HN 0.407 nan 8.210 nan 0.000 0.413 31 N N 1.044 119.712 118.700 -0.053 0.000 2.166 31 N HA -0.179 4.587 4.740 0.045 0.000 0.186 31 N C 1.938 177.357 175.510 -0.152 0.000 1.019 31 N CA 0.966 53.974 53.050 -0.071 0.000 0.856 31 N CB -0.600 37.875 38.487 -0.020 0.000 0.993 31 N HN 0.289 nan 8.380 nan 0.000 0.426 32 L N 1.085 122.176 121.223 -0.221 0.000 1.994 32 L HA -0.085 4.282 4.340 0.045 0.000 0.208 32 L C 1.872 178.471 176.870 -0.452 0.000 1.071 32 L CA 1.434 56.079 54.840 -0.325 0.000 0.745 32 L CB -0.454 41.348 42.059 -0.428 0.000 0.892 32 L HN 0.009 nan 8.230 nan 0.000 0.431 33 I N -0.241 120.023 120.570 -0.509 0.000 2.252 33 I HA -0.229 3.968 4.170 0.045 0.000 0.245 33 I C 2.211 178.000 176.117 -0.546 0.000 1.102 33 I CA 1.122 62.011 61.300 -0.686 0.000 1.385 33 I CB -1.705 35.554 38.000 -1.235 0.000 1.064 33 I HN 0.298 nan 8.210 nan 0.000 0.414 34 D N 1.422 121.633 120.400 -0.314 0.000 2.106 34 D HA -0.209 4.458 4.640 0.045 0.000 0.191 34 D C 1.773 177.904 176.300 -0.282 0.000 0.997 34 D CA 1.513 55.402 54.000 -0.185 0.000 0.834 34 D CB -0.327 40.429 40.800 -0.073 0.000 0.956 34 D HN 0.284 nan 8.370 nan 0.000 0.448 35 D N 0.014 120.228 120.400 -0.310 0.000 2.123 35 D HA -0.113 4.554 4.640 0.045 0.000 0.196 35 D C 2.364 178.329 176.300 -0.558 0.000 0.992 35 D CA 0.417 54.206 54.000 -0.351 0.000 0.833 35 D CB -0.354 40.267 40.800 -0.297 0.000 0.954 35 D HN 0.238 nan 8.370 nan 0.000 0.455 36 L N 0.125 120.906 121.223 -0.737 0.000 1.994 36 L HA -0.133 4.234 4.340 0.045 0.000 0.208 36 L C 2.588 178.564 176.870 -1.490 0.000 1.071 36 L CA 0.711 54.828 54.840 -1.206 0.000 0.745 36 L CB -0.384 41.017 42.059 -1.097 0.000 0.892 36 L HN 0.045 nan 8.230 nan 0.000 0.431 37 L N -0.376 120.344 121.223 -0.838 0.000 2.079 37 L HA -0.233 4.134 4.340 0.045 0.000 0.210 37 L C 2.591 179.258 176.870 -0.339 0.000 1.081 37 L CA 1.235 55.803 54.840 -0.454 0.000 0.752 37 L CB -0.470 41.471 42.059 -0.198 0.000 0.896 37 L HN 0.315 nan 8.230 nan 0.000 0.433 38 E N 0.218 120.205 120.200 -0.356 0.000 2.047 38 E HA -0.192 4.184 4.350 0.045 0.000 0.191 38 E C 2.086 178.537 176.600 -0.248 0.000 0.987 38 E CA 1.226 57.485 56.400 -0.235 0.000 0.799 38 E CB -0.223 29.355 29.700 -0.203 0.000 0.752 38 E HN 0.137 nan 8.360 nan 0.000 0.449 39 V N 0.069 119.729 119.914 -0.424 0.000 2.970 39 V HA -0.108 4.039 4.120 0.045 0.000 0.260 39 V C 1.312 177.281 176.094 -0.208 0.000 1.100 39 V CA 1.108 63.186 62.300 -0.370 0.000 1.122 39 V CB -0.572 30.913 31.823 -0.564 0.000 0.721 39 V HN 0.292 nan 8.190 nan 0.000 0.483 40 F N -0.357 119.449 119.950 -0.239 0.000 2.259 40 F HA -0.026 4.528 4.527 0.045 0.000 0.298 40 F C 2.453 178.215 175.800 -0.064 0.000 1.088 40 F CA 0.782 58.700 58.000 -0.137 0.000 1.358 40 F CB -0.862 38.060 39.000 -0.130 0.000 1.040 40 F HN 0.240 nan 8.300 nan 0.000 0.505 41 Q N -0.414 119.443 119.800 0.094 0.000 2.163 41 Q HA -0.056 4.311 4.340 0.045 0.000 0.198 41 Q C 2.411 178.434 176.000 0.039 0.000 0.954 41 Q CA 1.956 57.791 55.803 0.054 0.000 0.851 41 Q CB -1.045 27.703 28.738 0.017 0.000 0.928 41 Q HN 0.507 nan 8.270 nan 0.000 0.459 42 T N -2.187 112.377 114.554 0.016 0.000 3.035 42 T HA -0.009 4.368 4.350 0.045 0.000 0.259 42 T C 0.416 175.145 174.700 0.048 0.000 1.078 42 T CA 0.574 62.684 62.100 0.017 0.000 1.132 42 T CB 0.186 69.048 68.868 -0.011 0.000 0.900 42 T HN -0.079 nan 8.240 nan 0.000 0.480 43 D N 2.427 122.875 120.400 0.081 0.000 2.438 43 D HA 0.349 5.016 4.640 0.045 0.000 0.257 43 D C -1.784 174.631 176.300 0.192 0.000 1.148 43 D CA -2.673 51.410 54.000 0.138 0.000 0.902 43 D CB 1.916 42.827 40.800 0.184 0.000 1.062 43 D HN 0.014 nan 8.370 nan 0.000 0.518 44 P HA -0.066 nan 4.420 nan 0.000 0.222 44 P C 0.476 177.877 177.300 0.168 0.000 1.147 44 P CA 0.626 63.807 63.100 0.135 0.000 0.790 44 P CB 0.618 32.371 31.700 0.087 0.000 0.780 45 D N -1.076 119.435 120.400 0.185 0.000 2.317 45 D HA -0.015 4.652 4.640 0.045 0.000 0.211 45 D C 0.408 176.881 176.300 0.288 0.000 0.966 45 D CA 0.098 54.211 54.000 0.188 0.000 0.876 45 D CB -0.684 40.195 40.800 0.130 0.000 0.927 45 D HN 0.179 nan 8.370 nan 0.000 0.519 46 F N 1.737 121.822 119.950 0.225 0.000 2.533 46 F HA -0.058 4.496 4.527 0.045 0.000 0.378 46 F C 1.859 177.868 175.800 0.349 0.000 1.070 46 F CA 0.153 58.378 58.000 0.375 0.000 1.172 46 F CB 0.546 39.764 39.000 0.362 0.000 1.085 46 F HN -0.011 nan 8.300 nan 0.000 0.552 47 H N 3.571 122.807 119.070 0.276 0.000 2.284 47 H HA 0.030 4.613 4.556 0.045 0.000 0.304 47 H C 0.322 175.666 175.328 0.027 0.000 1.069 47 H CA 1.496 57.565 56.048 0.035 0.000 1.327 47 H CB 0.399 30.054 29.762 -0.179 0.000 1.387 47 H HN 0.585 nan 8.280 nan 0.000 0.498 48 S N -1.488 114.267 115.700 0.092 0.000 2.627 48 S HA 0.373 4.870 4.470 0.045 0.000 0.268 48 S C -1.649 173.221 174.600 0.451 0.000 1.130 48 S CA -0.993 57.309 58.200 0.169 0.000 0.819 48 S CB 1.551 64.788 63.200 0.062 0.000 1.100 48 S HN 0.173 nan 8.310 nan 0.000 0.465 49 F N 1.339 121.473 119.950 0.307 0.000 2.547 49 F HA 0.569 5.124 4.527 0.045 0.000 0.316 49 F C -0.558 175.372 175.800 0.217 0.000 1.121 49 F CA -0.378 57.824 58.000 0.336 0.000 0.911 49 F CB 1.830 41.075 39.000 0.408 0.000 1.179 49 F HN 0.987 nan 8.300 nan 0.000 0.443 50 H N 6.093 125.035 119.070 -0.213 0.000 2.782 50 H HA 0.367 4.950 4.556 0.045 0.000 0.285 50 H C -0.430 174.833 175.328 -0.107 0.000 1.093 50 H CA 0.046 56.025 56.048 -0.115 0.000 1.410 50 H CB 0.709 30.431 29.762 -0.067 0.000 1.439 50 H HN 0.680 nan 8.280 nan 0.000 0.469 51 L N 5.240 126.261 121.223 -0.337 0.000 2.727 51 L HA 0.067 4.433 4.340 0.045 0.000 0.237 51 L C 0.464 177.160 176.870 -0.290 0.000 1.370 51 L CA 0.120 54.864 54.840 -0.161 0.000 1.248 51 L CB -0.417 41.580 42.059 -0.104 0.000 1.556 51 L HN 0.920 nan 8.230 nan 0.000 0.420 52 D N 1.695 121.950 120.400 -0.242 0.000 2.955 52 D HA -0.233 4.434 4.640 0.045 0.000 0.226 52 D C 1.356 177.542 176.300 -0.189 0.000 1.178 52 D CA 1.216 55.214 54.000 -0.004 0.000 0.808 52 D CB -0.592 40.315 40.800 0.179 0.000 1.099 52 D HN 0.799 nan 8.370 nan 0.000 0.421 53 G N -0.497 107.897 108.800 -0.677 0.000 2.180 53 G HA2 -0.346 3.640 3.960 0.045 0.000 0.263 53 G HA3 -0.346 3.640 3.960 0.045 0.000 0.263 53 G C 0.039 174.817 174.900 -0.202 0.000 0.989 53 G CA 0.984 45.769 45.100 -0.525 0.000 0.692 53 G HN 0.800 nan 8.290 nan 0.000 0.526 54 Q N -0.992 118.737 119.800 -0.117 0.000 2.309 54 Q HA 0.628 4.995 4.340 0.045 0.000 0.270 54 Q C 0.880 176.859 176.000 -0.035 0.000 1.023 54 Q CA -0.220 55.573 55.803 -0.017 0.000 0.758 54 Q CB 1.411 30.150 28.738 0.001 0.000 1.247 54 Q HN 0.363 nan 8.270 nan 0.000 0.455 55 T N -0.292 114.288 114.554 0.043 0.000 3.035 55 T HA -0.086 4.291 4.350 0.045 0.000 0.268 55 T C 1.513 176.269 174.700 0.094 0.000 1.109 55 T CA 0.660 62.820 62.100 0.100 0.000 1.119 55 T CB -0.182 68.839 68.868 0.254 0.000 0.900 55 T HN 0.689 nan 8.240 nan 0.000 0.503 56 I N 0.680 121.203 120.570 -0.079 0.000 2.423 56 I HA -0.132 4.065 4.170 0.045 0.000 0.254 56 I C 2.127 178.229 176.117 -0.025 0.000 1.151 56 I CA 1.197 62.396 61.300 -0.168 0.000 1.421 56 I CB -0.184 37.427 38.000 -0.647 0.000 1.079 56 I HN 0.259 nan 8.210 nan 0.000 0.431 57 I N 0.487 121.033 120.570 -0.039 0.000 2.194 57 I HA -0.369 3.828 4.170 0.045 0.000 0.246 57 I C 2.318 178.441 176.117 0.010 0.000 1.093 57 I CA 1.618 62.895 61.300 -0.038 0.000 1.355 57 I CB -0.317 37.623 38.000 -0.100 0.000 1.046 57 I HN 0.274 nan 8.210 nan 0.000 0.413 58 L N -0.124 121.103 121.223 0.006 0.000 2.056 58 L HA -0.213 4.154 4.340 0.045 0.000 0.207 58 L C 2.149 179.155 176.870 0.228 0.000 1.078 58 L CA 1.144 56.004 54.840 0.033 0.000 0.749 58 L CB -0.742 41.213 42.059 -0.175 0.000 0.901 58 L HN 0.218 nan 8.230 nan 0.000 0.433 59 D N 0.173 120.730 120.400 0.262 0.000 2.097 59 D HA -0.184 4.483 4.640 0.045 0.000 0.195 59 D C 1.828 178.263 176.300 0.224 0.000 0.989 59 D CA 1.290 55.455 54.000 0.275 0.000 0.827 59 D CB -0.289 40.677 40.800 0.278 0.000 0.966 59 D HN 0.271 nan 8.370 nan 0.000 0.456 60 D N -0.458 120.055 120.400 0.189 0.000 2.123 60 D HA -0.180 4.487 4.640 0.045 0.000 0.196 60 D C 1.955 178.479 176.300 0.374 0.000 0.992 60 D CA 0.674 54.803 54.000 0.215 0.000 0.833 60 D CB -0.434 40.430 40.800 0.106 0.000 0.954 60 D HN 0.285 nan 8.370 nan 0.000 0.455 61 Y N 1.268 121.651 120.300 0.138 0.000 2.200 61 Y HA -0.078 4.499 4.550 0.045 0.000 0.290 61 Y C 2.145 178.096 175.900 0.085 0.000 1.137 61 Y CA 1.139 59.284 58.100 0.074 0.000 1.163 61 Y CB -0.302 38.140 38.460 -0.031 0.000 0.988 61 Y HN -0.092 nan 8.280 nan 0.000 0.518 62 L N -0.244 121.038 121.223 0.099 0.000 2.313 62 L HA -0.132 4.235 4.340 0.045 0.000 0.214 62 L C 2.195 179.080 176.870 0.025 0.000 1.119 62 L CA 0.958 55.818 54.840 0.033 0.000 0.809 62 L CB -0.408 41.771 42.059 0.199 0.000 0.933 62 L HN 0.101 nan 8.230 nan 0.000 0.449 63 K N -0.375 120.080 120.400 0.093 0.000 2.211 63 K HA -0.095 4.252 4.320 0.045 0.000 0.203 63 K C 1.899 178.523 176.600 0.039 0.000 1.050 63 K CA 0.856 57.205 56.287 0.105 0.000 0.945 63 K CB 0.157 32.770 32.500 0.189 0.000 0.732 63 K HN 0.141 nan 8.250 nan 0.000 0.451 64 V N 0.291 120.177 119.914 -0.047 0.000 2.672 64 V HA 0.000 4.147 4.120 0.045 0.000 0.242 64 V C 0.855 176.823 176.094 -0.210 0.000 1.059 64 V CA 0.763 62.975 62.300 -0.146 0.000 1.081 64 V CB 0.047 31.720 31.823 -0.249 0.000 0.752 64 V HN 0.135 nan 8.190 nan 0.000 0.472 65 R N 1.013 121.301 120.500 -0.353 0.000 2.868 65 R HA 0.235 4.601 4.340 0.045 0.000 0.289 65 R C -1.928 174.243 176.300 -0.214 0.000 1.443 65 R CA -1.346 54.545 56.100 -0.349 0.000 1.651 65 R CB 0.739 30.674 30.300 -0.607 0.000 1.242 65 R HN 0.367 nan 8.270 nan 0.000 0.621 66 P HA -0.191 nan 4.420 nan 0.000 0.222 66 P C 0.888 178.196 177.300 0.013 0.000 1.147 66 P CA 1.171 64.264 63.100 -0.012 0.000 0.790 66 P CB 0.355 32.059 31.700 0.006 0.000 0.780 67 E N 0.440 120.634 120.200 -0.010 0.000 2.516 67 E HA -0.122 4.254 4.350 0.045 0.000 0.199 67 E C 1.225 177.844 176.600 0.032 0.000 1.069 67 E CA 0.540 56.946 56.400 0.010 0.000 0.876 67 E CB -0.448 29.250 29.700 -0.003 0.000 0.843 67 E HN 0.221 nan 8.360 nan 0.000 0.530 68 R N 0.746 121.270 120.500 0.040 0.000 2.393 68 R HA 0.165 4.532 4.340 0.045 0.000 0.244 68 R C 1.576 177.965 176.300 0.149 0.000 0.920 68 R CA -0.020 56.137 56.100 0.094 0.000 1.076 68 R CB 0.080 30.460 30.300 0.134 0.000 1.119 68 R HN 0.328 nan 8.270 nan 0.000 0.524 69 E N 1.698 121.994 120.200 0.160 0.000 2.085 69 E HA -0.151 4.226 4.350 0.045 0.000 0.194 69 E C -0.916 175.817 176.600 0.222 0.000 0.994 69 E CA 1.290 57.838 56.400 0.247 0.000 0.801 69 E CB -0.328 29.523 29.700 0.251 0.000 0.743 69 E HN 0.122 nan 8.360 nan 0.000 0.453 70 P HA -0.142 nan 4.420 nan 0.000 0.215 70 P C 0.832 178.197 177.300 0.107 0.000 1.153 70 P CA 1.329 64.502 63.100 0.121 0.000 0.853 70 P CB -0.039 31.709 31.700 0.081 0.000 0.788 71 E N -0.904 119.354 120.200 0.096 0.000 2.077 71 E HA -0.141 4.236 4.350 0.045 0.000 0.193 71 E C 1.968 178.609 176.600 0.067 0.000 0.989 71 E CA 0.820 57.266 56.400 0.077 0.000 0.800 71 E CB -0.381 29.364 29.700 0.075 0.000 0.746 71 E HN 0.123 nan 8.360 nan 0.000 0.452 72 I N 0.801 121.410 120.570 0.066 0.000 2.179 72 I HA -0.264 3.933 4.170 0.045 0.000 0.242 72 I C 2.547 178.639 176.117 -0.042 0.000 1.088 72 I CA 1.328 62.606 61.300 -0.036 0.000 1.357 72 I CB -0.873 37.062 38.000 -0.108 0.000 1.051 72 I HN 0.108 nan 8.210 nan 0.000 0.409 73 R N 0.520 121.088 120.500 0.113 0.000 2.105 73 R HA -0.258 4.109 4.340 0.045 0.000 0.239 73 R C 2.328 178.685 176.300 0.094 0.000 1.135 73 R CA 1.796 58.018 56.100 0.203 0.000 0.967 73 R CB -0.116 30.369 30.300 0.307 0.000 0.861 73 R HN 0.269 nan 8.270 nan 0.000 0.442 74 Q N 0.338 120.175 119.800 0.062 0.000 2.046 74 Q HA -0.059 4.308 4.340 0.045 0.000 0.200 74 Q C 1.787 177.771 176.000 -0.027 0.000 0.975 74 Q CA 2.253 58.071 55.803 0.024 0.000 0.836 74 Q CB -0.397 28.358 28.738 0.028 0.000 0.896 74 Q HN 0.390 nan 8.270 nan 0.000 0.428 75 A N -0.022 122.774 122.820 -0.039 0.000 1.972 75 A HA -0.095 4.252 4.320 0.045 0.000 0.219 75 A C 2.149 179.638 177.584 -0.158 0.000 1.169 75 A CA 1.376 53.332 52.037 -0.134 0.000 0.635 75 A CB -0.625 18.360 19.000 -0.026 0.000 0.810 75 A HN 0.485 nan 8.150 nan 0.000 0.446 76 I N -0.691 119.823 120.570 -0.094 0.000 2.333 76 I HA -0.179 4.018 4.170 0.045 0.000 0.246 76 I C 2.908 179.002 176.117 -0.039 0.000 1.106 76 I CA 0.850 62.104 61.300 -0.077 0.000 1.411 76 I CB -0.214 37.746 38.000 -0.067 0.000 1.082 76 I HN 0.337 nan 8.210 nan 0.000 0.420 77 A N 0.573 123.386 122.820 -0.012 0.000 1.933 77 A HA -0.203 4.143 4.320 0.045 0.000 0.218 77 A C 2.408 179.968 177.584 -0.039 0.000 1.175 77 A CA 2.114 54.150 52.037 -0.003 0.000 0.628 77 A CB -0.697 18.313 19.000 0.017 0.000 0.814 77 A HN 0.514 nan 8.150 nan 0.000 0.444 78 S N -2.412 113.241 115.700 -0.078 0.000 2.527 78 S HA 0.374 4.870 4.470 0.045 0.000 0.222 78 S C 1.448 175.959 174.600 -0.149 0.000 0.985 78 S CA 1.099 59.235 58.200 -0.107 0.000 0.921 78 S CB -0.046 63.078 63.200 -0.128 0.000 0.772 78 S HN 1.892 nan 8.310 nan 0.000 0.529 79 G N 1.532 110.241 108.800 -0.152 0.000 2.176 79 G HA2 -0.250 3.737 3.960 0.045 0.000 0.232 79 G HA3 -0.250 3.737 3.960 0.045 0.000 0.232 79 G C 0.762 175.530 174.900 -0.221 0.000 0.986 79 G CA 0.290 45.297 45.100 -0.155 0.000 0.643 79 G HN 0.501 nan 8.290 nan 0.000 0.522 80 K N -0.528 119.668 120.400 -0.341 0.000 2.288 80 K HA 0.229 4.576 4.320 0.045 0.000 0.201 80 K C 0.845 177.260 176.600 -0.309 0.000 1.048 80 K CA 0.556 56.519 56.287 -0.541 0.000 0.956 80 K CB 0.137 31.911 32.500 -1.211 0.000 0.746 80 K HN 0.399 nan 8.250 nan 0.000 0.461 81 L N 1.973 123.098 121.223 -0.163 0.000 2.325 81 L HA 0.311 4.678 4.340 0.045 0.000 0.281 81 L C -0.371 176.485 176.870 -0.024 0.000 1.004 81 L CA -0.871 53.975 54.840 0.010 0.000 0.823 81 L CB 1.502 43.548 42.059 -0.022 0.000 1.236 81 L HN -0.088 nan 8.230 nan 0.000 0.415 82 R N 5.161 125.671 120.500 0.016 0.000 2.265 82 R HA 0.595 4.961 4.340 0.045 0.000 0.328 82 R C -0.565 175.654 176.300 -0.135 0.000 0.969 82 R CA -0.474 55.618 56.100 -0.013 0.000 0.832 82 R CB 1.691 32.054 30.300 0.105 0.000 1.139 82 R HN 0.652 nan 8.270 nan 0.000 0.457 83 I N -1.899 118.595 120.570 -0.127 0.000 2.846 83 I HA 0.834 5.031 4.170 0.045 0.000 0.307 83 I C 0.564 176.597 176.117 -0.140 0.000 1.053 83 I CA -0.586 60.614 61.300 -0.167 0.000 1.050 83 I CB 2.219 40.135 38.000 -0.140 0.000 1.239 83 I HN 0.665 nan 8.210 nan 0.000 0.439 84 G N 3.995 112.711 108.800 -0.140 0.000 2.697 84 G HA2 -0.176 3.811 3.960 0.045 0.000 0.240 84 G HA3 -0.176 3.811 3.960 0.045 0.000 0.240 84 G C -2.288 172.477 174.900 -0.226 0.000 1.346 84 G CA -0.011 45.035 45.100 -0.091 0.000 0.887 84 G HN 0.693 nan 8.290 nan 0.000 0.569 85 P HA 0.265 nan 4.420 nan 0.000 0.255 85 P C 0.168 177.591 177.300 0.205 0.000 1.248 85 P CA 0.374 63.447 63.100 -0.044 0.000 0.807 85 P CB 0.144 31.806 31.700 -0.063 0.000 1.150 86 F N -1.046 118.900 119.950 -0.005 0.000 2.380 86 F HA 0.221 4.774 4.527 0.044 0.000 0.321 86 F C 1.955 177.819 175.800 0.106 0.000 1.103 86 F CA -1.801 56.220 58.000 0.036 0.000 1.067 86 F CB -0.437 38.554 39.000 -0.014 0.000 1.265 86 F HN -0.225 nan 8.300 nan 0.000 0.517 87 Y N 1.607 122.036 120.300 0.216 0.000 2.176 87 Y HA 0.154 4.730 4.550 0.044 0.000 0.291 87 Y C 0.334 176.318 175.900 0.139 0.000 1.122 87 Y CA 0.869 59.055 58.100 0.143 0.000 1.128 87 Y CB 0.058 38.581 38.460 0.105 0.000 1.005 87 Y HN 0.321 nan 8.280 nan 0.000 0.509 88 I N -1.759 118.868 120.570 0.095 0.000 3.145 88 I HA 0.368 4.565 4.170 0.045 0.000 0.313 88 I C -1.445 174.762 176.117 0.151 0.000 1.122 88 I CA -1.518 59.785 61.300 0.005 0.000 0.987 88 I CB 1.809 39.793 38.000 -0.027 0.000 1.236 88 I HN -0.192 nan 8.210 nan 0.000 0.453 89 L N 4.109 125.421 121.223 0.148 0.000 2.288 89 L HA 0.381 4.748 4.340 0.045 0.000 0.283 89 L C 0.161 177.170 176.870 0.232 0.000 1.072 89 L CA -0.614 54.355 54.840 0.215 0.000 0.862 89 L CB 0.325 42.530 42.059 0.244 0.000 1.245 89 L HN 0.740 nan 8.230 nan 0.000 0.432 90 Q N 1.545 121.440 119.800 0.159 0.000 2.318 90 Q HA 0.153 4.520 4.340 0.045 0.000 0.222 90 Q C -0.846 175.205 176.000 0.085 0.000 1.003 90 Q CA -0.553 55.324 55.803 0.124 0.000 0.936 90 Q CB 1.613 30.384 28.738 0.055 0.000 1.204 90 Q HN 0.494 nan 8.270 nan 0.000 0.524 91 D N 0.025 120.449 120.400 0.041 0.000 2.312 91 D HA 0.054 4.721 4.640 0.045 0.000 0.252 91 D C 0.058 176.312 176.300 -0.077 0.000 1.150 91 D CA -0.332 53.648 54.000 -0.035 0.000 0.870 91 D CB 0.710 41.517 40.800 0.012 0.000 1.153 91 D HN 0.335 nan 8.370 nan 0.000 0.457 92 D N 2.894 123.188 120.400 -0.177 0.000 2.087 92 D HA -0.177 4.490 4.640 0.045 0.000 0.192 92 D C 1.479 177.581 176.300 -0.330 0.000 0.993 92 D CA 1.247 55.045 54.000 -0.338 0.000 0.828 92 D CB -0.128 40.270 40.800 -0.670 0.000 0.968 92 D HN 0.485 nan 8.370 nan 0.000 0.448 93 F N 0.256 120.109 119.950 -0.161 0.000 2.259 93 F HA 0.085 4.639 4.527 0.044 0.000 0.298 93 F C 2.276 178.044 175.800 -0.054 0.000 1.088 93 F CA 0.431 58.337 58.000 -0.158 0.000 1.358 93 F CB -0.380 38.398 39.000 -0.371 0.000 1.040 93 F HN -0.077 nan 8.300 nan 0.000 0.505 94 L N -0.277 121.038 121.223 0.153 0.000 2.554 94 L HA 0.059 4.426 4.340 0.045 0.000 0.226 94 L C 0.859 177.735 176.870 0.010 0.000 1.137 94 L CA 0.220 55.137 54.840 0.129 0.000 0.863 94 L CB -0.933 41.226 42.059 0.167 0.000 0.985 94 L HN 0.109 nan 8.230 nan 0.000 0.451 95 T N -2.987 111.517 114.554 -0.083 0.000 2.943 95 T HA 0.405 4.782 4.350 0.045 0.000 0.284 95 T C 0.420 175.042 174.700 -0.128 0.000 1.015 95 T CA -0.669 61.300 62.100 -0.220 0.000 1.042 95 T CB 1.793 70.410 68.868 -0.419 0.000 1.055 95 T HN 0.139 nan 8.240 nan 0.000 0.500 96 S N 1.655 117.300 115.700 -0.091 0.000 2.580 96 S HA 0.113 4.610 4.470 0.045 0.000 0.266 96 S C 1.457 175.973 174.600 -0.141 0.000 1.354 96 S CA -0.159 58.003 58.200 -0.063 0.000 1.008 96 S CB 0.133 63.355 63.200 0.036 0.000 0.898 96 S HN 0.718 nan 8.310 nan 0.000 0.555 97 S N 1.272 116.804 115.700 -0.280 0.000 2.359 97 S HA -0.129 4.368 4.470 0.045 0.000 0.223 97 S C 1.934 176.313 174.600 -0.369 0.000 1.039 97 S CA 1.411 59.230 58.200 -0.636 0.000 1.042 97 S CB -0.617 61.803 63.200 -1.299 0.000 0.915 97 S HN 0.781 nan 8.310 nan 0.000 0.439 98 E N 1.200 121.315 120.200 -0.142 0.000 2.110 98 E HA -0.035 4.341 4.350 0.045 0.000 0.193 98 E C 2.349 178.983 176.600 0.057 0.000 0.988 98 E CA 0.618 57.069 56.400 0.084 0.000 0.804 98 E CB -0.451 29.341 29.700 0.154 0.000 0.745 98 E HN 0.372 nan 8.360 nan 0.000 0.458 99 S N 1.421 117.191 115.700 0.117 0.000 2.370 99 S HA -0.140 4.357 4.470 0.045 0.000 0.226 99 S C 1.665 176.297 174.600 0.053 0.000 1.033 99 S CA 0.891 59.200 58.200 0.181 0.000 1.011 99 S CB -0.238 63.077 63.200 0.192 0.000 0.852 99 S HN 0.310 nan 8.310 nan 0.000 0.457 100 N N 0.841 119.540 118.700 -0.002 0.000 2.289 100 N HA -0.063 4.704 4.740 0.045 0.000 0.184 100 N C 1.640 177.121 175.510 -0.048 0.000 1.016 100 N CA 0.983 54.008 53.050 -0.040 0.000 0.872 100 N CB -0.178 38.288 38.487 -0.036 0.000 0.973 100 N HN 0.244 nan 8.380 nan 0.000 0.433 101 V N 1.845 121.772 119.914 0.023 0.000 2.407 101 V HA -0.090 4.057 4.120 0.045 0.000 0.245 101 V C 2.234 178.263 176.094 -0.109 0.000 1.041 101 V CA 1.142 63.425 62.300 -0.029 0.000 1.040 101 V CB -0.206 31.632 31.823 0.025 0.000 0.671 101 V HN 0.202 nan 8.190 nan 0.000 0.455 102 R N 0.735 121.137 120.500 -0.163 0.000 2.115 102 R HA -0.105 4.262 4.340 0.045 0.000 0.230 102 R C 2.030 178.248 176.300 -0.136 0.000 1.111 102 R CA 1.266 57.203 56.100 -0.273 0.000 0.976 102 R CB -1.366 28.557 30.300 -0.628 0.000 0.870 102 R HN 0.520 nan 8.270 nan 0.000 0.445 103 N N 1.262 119.927 118.700 -0.059 0.000 2.137 103 N HA -0.136 4.631 4.740 0.045 0.000 0.190 103 N C 1.644 177.131 175.510 -0.037 0.000 1.017 103 N CA 1.622 54.667 53.050 -0.009 0.000 0.859 103 N CB -0.068 38.361 38.487 -0.095 0.000 1.002 103 N HN 0.244 nan 8.380 nan 0.000 0.428 104 M N -1.032 118.499 119.600 -0.116 0.000 2.287 104 M HA -0.025 4.482 4.480 0.045 0.000 0.266 104 M C 1.896 178.207 176.300 0.017 0.000 1.079 104 M CA 0.540 55.835 55.300 -0.008 0.000 1.146 104 M CB -0.183 32.400 32.600 -0.030 0.000 1.374 104 M HN 0.141 nan 8.290 nan 0.000 0.435 105 L N 1.305 122.498 121.223 -0.050 0.000 1.994 105 L HA -0.166 4.201 4.340 0.045 0.000 0.208 105 L C 2.212 179.055 176.870 -0.045 0.000 1.071 105 L CA 1.850 56.651 54.840 -0.064 0.000 0.745 105 L CB -0.547 41.435 42.059 -0.129 0.000 0.892 105 L HN 0.189 nan 8.230 nan 0.000 0.431 106 I N -0.293 120.237 120.570 -0.066 0.000 2.315 106 I HA -0.144 4.053 4.170 0.045 0.000 0.248 106 I C 2.575 178.714 176.117 0.037 0.000 1.117 106 I CA 1.300 62.557 61.300 -0.073 0.000 1.404 106 I CB -2.191 35.681 38.000 -0.214 0.000 1.071 106 I HN 0.408 nan 8.210 nan 0.000 0.419 107 G N 1.240 110.117 108.800 0.129 0.000 2.446 107 G HA2 -0.338 3.649 3.960 0.045 0.000 0.217 107 G HA3 -0.338 3.649 3.960 0.045 0.000 0.217 107 G C 1.779 176.773 174.900 0.156 0.000 1.168 107 G CA 1.231 46.462 45.100 0.218 0.000 0.771 107 G HN 0.261 nan 8.290 nan 0.000 0.551 108 K N 0.848 121.312 120.400 0.106 0.000 2.026 108 K HA -0.071 4.275 4.320 0.045 0.000 0.208 108 K C 2.322 178.955 176.600 0.055 0.000 1.048 108 K CA 1.892 58.223 56.287 0.073 0.000 0.929 108 K CB -0.484 32.041 32.500 0.042 0.000 0.713 108 K HN 0.438 nan 8.250 nan 0.000 0.439 109 E N -0.043 120.175 120.200 0.030 0.000 2.085 109 E HA -0.242 4.135 4.350 0.045 0.000 0.194 109 E C 1.261 177.875 176.600 0.022 0.000 0.994 109 E CA 1.827 58.231 56.400 0.006 0.000 0.801 109 E CB -0.122 29.567 29.700 -0.018 0.000 0.743 109 E HN 0.340 nan 8.360 nan 0.000 0.453 110 D N -0.043 120.404 120.400 0.079 0.000 2.097 110 D HA -0.156 4.511 4.640 0.045 0.000 0.195 110 D C 2.054 178.487 176.300 0.221 0.000 0.989 110 D CA 1.212 55.301 54.000 0.148 0.000 0.827 110 D CB -0.637 40.333 40.800 0.283 0.000 0.966 110 D HN 0.292 nan 8.370 nan 0.000 0.456 111 C N 0.894 120.322 119.300 0.214 0.000 2.425 111 C HA -0.113 4.374 4.460 0.045 0.000 0.277 111 C C 2.217 177.295 174.990 0.147 0.000 1.280 111 C CA 0.426 59.571 59.018 0.210 0.000 1.744 111 C CB -0.653 27.168 27.740 0.134 0.000 1.989 111 C HN 0.330 nan 8.230 nan 0.000 0.491 112 D N 0.069 120.514 120.400 0.075 0.000 2.144 112 D HA -0.117 4.549 4.640 0.045 0.000 0.200 112 D C 2.307 178.608 176.300 0.001 0.000 0.978 112 D CA 0.908 54.927 54.000 0.032 0.000 0.833 112 D CB -0.498 40.305 40.800 0.004 0.000 0.961 112 D HN 0.535 nan 8.370 nan 0.000 0.470 113 R N -0.528 119.939 120.500 -0.055 0.000 2.092 113 R HA -0.119 4.248 4.340 0.045 0.000 0.231 113 R C 1.951 178.123 176.300 -0.214 0.000 1.119 113 R CA 1.117 57.102 56.100 -0.192 0.000 0.970 113 R CB -0.320 29.784 30.300 -0.328 0.000 0.864 113 R HN 0.217 nan 8.270 nan 0.000 0.440 114 W N -0.888 120.427 121.300 0.024 0.000 2.576 114 W HA 0.226 4.913 4.660 0.044 0.000 0.270 114 W C 1.336 177.862 176.519 0.012 0.000 1.255 114 W CA 0.589 57.947 57.345 0.022 0.000 1.314 114 W CB 0.427 29.903 29.460 0.026 0.000 1.101 114 W HN 0.450 nan 8.180 nan 0.000 0.595 115 G N -0.290 108.638 108.800 0.212 0.000 2.179 115 G HA2 0.031 4.018 3.960 0.045 0.000 0.220 115 G HA3 0.031 4.018 3.960 0.045 0.000 0.220 115 G C -0.135 174.823 174.900 0.097 0.000 0.990 115 G CA -0.333 44.839 45.100 0.121 0.000 0.646 115 G HN 0.596 nan 8.290 nan 0.000 0.517 116 A N -1.318 121.570 122.820 0.113 0.000 2.609 116 A HA 1.031 5.378 4.320 0.045 0.000 0.291 116 A C -0.352 177.270 177.584 0.063 0.000 1.096 116 A CA 0.425 52.502 52.037 0.067 0.000 0.684 116 A CB 1.578 20.603 19.000 0.041 0.000 1.282 116 A HN 1.875 nan 8.150 nan 0.000 0.412 117 S N -0.456 115.266 115.700 0.037 0.000 2.535 117 S HA 0.545 5.042 4.470 0.045 0.000 0.272 117 S C -1.420 173.185 174.600 0.009 0.000 1.149 117 S CA -0.380 57.833 58.200 0.022 0.000 0.888 117 S CB 1.351 64.569 63.200 0.030 0.000 1.110 117 S HN 1.330 nan 8.310 nan 0.000 0.463 118 V N 5.529 125.436 119.914 -0.012 0.000 2.488 118 V HA 0.418 4.565 4.120 0.045 0.000 0.277 118 V C -1.792 174.284 176.094 -0.030 0.000 1.046 118 V CA -1.439 60.864 62.300 0.005 0.000 0.986 118 V CB 1.221 33.069 31.823 0.041 0.000 0.989 118 V HN 0.771 nan 8.190 nan 0.000 0.475 119 P HA 0.333 nan 4.420 nan 0.000 0.214 119 P C -0.841 176.430 177.300 -0.049 0.000 1.826 119 P CA -0.129 62.957 63.100 -0.023 0.000 0.977 119 P CB 0.190 31.889 31.700 -0.002 0.000 1.930 120 L N 0.301 121.457 121.223 -0.112 0.000 2.541 120 L HA 0.622 4.989 4.340 0.045 0.000 0.266 120 L C 0.005 176.722 176.870 -0.255 0.000 0.966 120 L CA -0.464 54.283 54.840 -0.154 0.000 0.871 120 L CB 1.573 43.487 42.059 -0.241 0.000 1.232 120 L HN 0.177 nan 8.230 nan 0.000 0.408 121 G N 2.921 111.616 108.800 -0.175 0.000 2.321 121 G HA2 0.142 4.129 3.960 0.045 0.000 0.237 121 G HA3 0.142 4.129 3.960 0.045 0.000 0.237 121 G C -1.356 173.366 174.900 -0.296 0.000 1.282 121 G CA 0.288 45.219 45.100 -0.281 0.000 0.886 121 G HN 0.606 nan 8.290 nan 0.000 0.528 122 Y N 2.228 121.954 120.300 -0.956 0.000 2.332 122 Y HA 0.517 5.094 4.550 0.045 0.000 0.326 122 Y C -0.716 174.841 175.900 -0.572 0.000 0.978 122 Y CA -1.717 56.036 58.100 -0.578 0.000 1.205 122 Y CB 1.311 39.470 38.460 -0.503 0.000 1.131 122 Y HN 0.444 nan 8.280 nan 0.000 0.462 123 F N 7.151 127.053 119.950 -0.080 0.000 2.623 123 F HA 0.329 4.885 4.527 0.048 0.000 0.361 123 F C -1.706 174.038 175.800 -0.092 0.000 1.469 123 F CA -1.542 56.459 58.000 0.001 0.000 1.126 123 F CB 0.618 39.698 39.000 0.133 0.000 1.221 123 F HN 0.351 nan 8.300 nan 0.000 0.536 124 P HA -0.177 nan 4.420 nan 0.000 0.218 124 P C 0.796 177.967 177.300 -0.216 0.000 1.148 124 P CA 1.727 64.600 63.100 -0.377 0.000 0.822 124 P CB 0.551 31.628 31.700 -1.039 0.000 0.784 125 D N -2.469 117.846 120.400 -0.143 0.000 2.525 125 D HA 0.021 4.688 4.640 0.045 0.000 0.231 125 D C -0.339 176.021 176.300 0.099 0.000 1.216 125 D CA 0.140 54.195 54.000 0.092 0.000 0.813 125 D CB -0.239 40.647 40.800 0.143 0.000 1.108 125 D HN -0.102 nan 8.370 nan 0.000 0.524 126 T N 1.530 116.056 114.554 -0.048 0.000 2.819 126 T HA -0.109 4.268 4.350 0.045 0.000 0.282 126 T C 0.247 175.073 174.700 0.209 0.000 1.013 126 T CA 0.185 62.234 62.100 -0.086 0.000 1.159 126 T CB -0.063 68.842 68.868 0.061 0.000 1.007 126 T HN -0.032 nan 8.240 nan 0.000 0.514 127 F N 2.510 122.552 119.950 0.152 0.000 2.678 127 F HA 0.479 5.032 4.527 0.043 0.000 0.358 127 F C 1.532 177.456 175.800 0.207 0.000 1.256 127 F CA -0.768 57.363 58.000 0.218 0.000 1.278 127 F CB -1.500 37.675 39.000 0.292 0.000 1.681 127 F HN 1.014 nan 8.300 nan 0.000 0.661 128 G N 1.720 110.713 108.800 0.323 0.000 2.911 128 G HA2 -0.164 3.823 3.960 0.045 0.000 0.686 128 G HA3 -0.164 3.823 3.960 0.045 0.000 0.686 128 G C -1.113 173.821 174.900 0.058 0.000 1.136 128 G CA -1.225 44.038 45.100 0.272 0.000 0.764 128 G HN 0.388 nan 8.290 nan 0.000 0.626 129 N N 2.196 120.879 118.700 -0.030 0.000 2.392 129 N HA 0.484 5.251 4.740 0.045 0.000 0.283 129 N C 1.040 176.416 175.510 -0.224 0.000 1.003 129 N CA -0.671 52.239 53.050 -0.233 0.000 0.892 129 N CB 1.525 39.898 38.487 -0.190 0.000 1.193 129 N HN 0.838 nan 8.380 nan 0.000 0.487 130 M N -0.241 119.023 119.600 -0.560 0.000 2.248 130 M HA 0.154 4.661 4.480 0.045 0.000 0.345 130 M C 1.222 177.440 176.300 -0.137 0.000 1.243 130 M CA 0.164 55.199 55.300 -0.442 0.000 1.090 130 M CB 0.130 32.399 32.600 -0.551 0.000 1.683 130 M HN 0.523 nan 8.290 nan 0.000 0.450 131 G N 2.009 110.825 108.800 0.026 0.000 2.485 131 G HA2 -0.191 3.796 3.960 0.045 0.000 0.221 131 G HA3 -0.191 3.796 3.960 0.045 0.000 0.221 131 G C 1.215 176.052 174.900 -0.104 0.000 1.115 131 G CA 0.550 45.682 45.100 0.054 0.000 0.751 131 G HN 0.832 nan 8.290 nan 0.000 0.567 132 Q N 0.255 119.958 119.800 -0.162 0.000 2.280 132 Q HA 0.056 4.423 4.340 0.045 0.000 0.202 132 Q C 2.286 178.084 176.000 -0.336 0.000 0.903 132 Q CA 0.265 55.946 55.803 -0.203 0.000 0.948 132 Q CB 0.008 28.680 28.738 -0.110 0.000 1.058 132 Q HN 0.417 nan 8.270 nan 0.000 0.493 133 T N 1.412 115.641 114.554 -0.542 0.000 2.665 133 T HA -0.128 4.249 4.350 0.045 0.000 0.268 133 T C -0.982 173.339 174.700 -0.632 0.000 1.035 133 T CA 1.288 62.959 62.100 -0.715 0.000 1.151 133 T CB -0.958 67.146 68.868 -1.274 0.000 0.862 133 T HN 0.277 nan 8.240 nan 0.000 0.438 134 P HA -0.091 nan 4.420 nan 0.000 0.214 134 P C 1.711 178.848 177.300 -0.272 0.000 1.163 134 P CA 1.133 63.947 63.100 -0.477 0.000 0.883 134 P CB -0.074 31.356 31.700 -0.450 0.000 0.788 135 Q N -0.391 119.260 119.800 -0.247 0.000 2.061 135 Q HA -0.167 4.200 4.340 0.045 0.000 0.204 135 Q C 2.083 177.975 176.000 -0.181 0.000 0.984 135 Q CA 1.465 57.156 55.803 -0.187 0.000 0.846 135 Q CB -0.692 27.940 28.738 -0.177 0.000 0.902 135 Q HN 0.164 nan 8.270 nan 0.000 0.421 136 L N -0.190 120.915 121.223 -0.196 0.000 2.083 136 L HA -0.223 4.144 4.340 0.045 0.000 0.209 136 L C 2.531 179.355 176.870 -0.077 0.000 1.083 136 L CA 0.685 55.433 54.840 -0.152 0.000 0.752 136 L CB -0.350 41.631 42.059 -0.129 0.000 0.899 136 L HN 0.371 nan 8.230 nan 0.000 0.433 137 M N -0.639 118.921 119.600 -0.067 0.000 2.123 137 M HA -0.135 4.372 4.480 0.045 0.000 0.263 137 M C 2.375 178.661 176.300 -0.025 0.000 1.069 137 M CA 1.749 57.051 55.300 0.003 0.000 1.133 137 M CB -0.992 31.612 32.600 0.007 0.000 1.356 137 M HN 0.206 nan 8.290 nan 0.000 0.415 138 L N -0.224 120.960 121.223 -0.065 0.000 2.046 138 L HA -0.198 4.169 4.340 0.045 0.000 0.208 138 L C 2.002 178.835 176.870 -0.063 0.000 1.077 138 L CA 1.196 56.001 54.840 -0.060 0.000 0.747 138 L CB -0.560 41.456 42.059 -0.072 0.000 0.896 138 L HN 0.298 nan 8.230 nan 0.000 0.432 139 K N -0.099 120.249 120.400 -0.086 0.000 2.522 139 K HA 0.121 4.468 4.320 0.045 0.000 0.194 139 K C 1.086 177.640 176.600 -0.077 0.000 1.026 139 K CA 0.398 56.628 56.287 -0.094 0.000 1.119 139 K CB 0.228 32.648 32.500 -0.133 0.000 0.856 139 K HN 0.223 nan 8.250 nan 0.000 0.513 140 A N 0.075 122.867 122.820 -0.046 0.000 2.508 140 A HA 0.348 4.695 4.320 0.045 0.000 0.257 140 A C 0.997 178.582 177.584 0.001 0.000 1.226 140 A CA 0.261 52.288 52.037 -0.016 0.000 0.947 140 A CB 0.304 19.316 19.000 0.020 0.000 1.079 140 A HN 0.276 nan 8.150 nan 0.000 0.531 141 G N -0.321 108.471 108.800 -0.013 0.000 2.149 141 G HA2 -0.182 3.805 3.960 0.045 0.000 0.235 141 G HA3 -0.182 3.805 3.960 0.045 0.000 0.235 141 G C -0.200 174.699 174.900 -0.000 0.000 1.018 141 G CA 0.397 45.491 45.100 -0.010 0.000 0.728 141 G HN 0.548 nan 8.290 nan 0.000 0.508 142 L N -0.962 120.264 121.223 0.005 0.000 2.356 142 L HA 0.543 4.910 4.340 0.045 0.000 0.277 142 L C 0.823 177.695 176.870 0.003 0.000 0.996 142 L CA -0.941 53.905 54.840 0.011 0.000 0.822 142 L CB 1.964 44.047 42.059 0.039 0.000 1.256 142 L HN 0.047 nan 8.230 nan 0.000 0.413 143 Q N 1.978 121.779 119.800 0.001 0.000 2.282 143 Q HA 0.451 4.818 4.340 0.045 0.000 0.206 143 Q C -0.185 175.826 176.000 0.019 0.000 0.878 143 Q CA 0.037 55.841 55.803 0.001 0.000 0.944 143 Q CB 1.273 30.007 28.738 -0.006 0.000 1.100 143 Q HN 0.671 nan 8.270 nan 0.000 0.509 144 A N -0.351 122.488 122.820 0.032 0.000 2.594 144 A HA 0.888 5.234 4.320 0.045 0.000 0.295 144 A C -1.611 176.030 177.584 0.095 0.000 1.071 144 A CA -0.381 51.694 52.037 0.064 0.000 0.685 144 A CB 1.283 20.307 19.000 0.039 0.000 1.285 144 A HN 0.062 nan 8.150 nan 0.000 0.405 145 A N 0.335 123.267 122.820 0.187 0.000 2.393 145 A HA 0.890 5.237 4.320 0.045 0.000 0.306 145 A C -0.104 177.646 177.584 0.276 0.000 1.050 145 A CA 0.077 52.287 52.037 0.289 0.000 0.724 145 A CB 1.281 20.573 19.000 0.488 0.000 1.248 145 A HN 2.452 nan 8.150 nan 0.000 0.424 146 A N 1.431 124.322 122.820 0.118 0.000 2.306 146 A HA 0.935 5.282 4.320 0.045 0.000 0.314 146 A C -0.494 177.170 177.584 0.133 0.000 1.164 146 A CA -0.342 51.613 52.037 -0.137 0.000 0.822 146 A CB 0.049 18.779 19.000 -0.450 0.000 1.130 146 A HN 1.912 nan 8.150 nan 0.000 0.496 147 F N -1.372 118.463 119.950 -0.192 0.000 2.713 147 F HA 0.684 5.238 4.527 0.046 0.000 0.311 147 F C 0.447 176.324 175.800 0.128 0.000 1.141 147 F CA -0.281 57.752 58.000 0.054 0.000 0.939 147 F CB 1.203 40.265 39.000 0.104 0.000 1.325 147 F HN 0.571 nan 8.300 nan 0.000 0.453 148 G N 0.459 109.449 108.800 0.317 0.000 2.781 148 G HA2 0.289 4.276 3.960 0.045 0.000 0.208 148 G HA3 0.289 4.276 3.960 0.045 0.000 0.208 148 G C -0.058 175.109 174.900 0.446 0.000 1.099 148 G CA -0.398 44.909 45.100 0.344 0.000 0.776 148 G HN 0.466 nan 8.290 nan 0.000 0.532 149 R N -0.630 120.156 120.500 0.476 0.000 2.562 149 R HA 0.539 4.906 4.340 0.045 0.000 0.298 149 R C 0.621 177.094 176.300 0.289 0.000 0.961 149 R CA 0.034 56.353 56.100 0.364 0.000 0.881 149 R CB 1.911 32.428 30.300 0.361 0.000 1.159 149 R HN 0.224 nan 8.270 nan 0.000 0.450 150 G N 2.008 110.903 108.800 0.158 0.000 2.179 150 G HA2 -0.170 3.817 3.960 0.045 0.000 0.220 150 G HA3 -0.170 3.817 3.960 0.045 0.000 0.220 150 G C -0.150 174.780 174.900 0.050 0.000 0.990 150 G CA -0.581 44.557 45.100 0.063 0.000 0.646 150 G HN 0.407 nan 8.290 nan 0.000 0.517 151 I N 0.906 121.528 120.570 0.087 0.000 2.418 151 I HA 0.429 4.626 4.170 0.045 0.000 0.287 151 I C 0.459 176.547 176.117 -0.048 0.000 1.008 151 I CA -1.138 60.186 61.300 0.040 0.000 1.104 151 I CB 1.585 39.626 38.000 0.069 0.000 1.264 151 I HN 0.218 nan 8.210 nan 0.000 0.438 152 R N 8.631 129.094 120.500 -0.062 0.000 2.205 152 R HA 0.389 4.756 4.340 0.045 0.000 0.342 152 R C -2.442 173.769 176.300 -0.148 0.000 1.058 152 R CA -1.271 54.767 56.100 -0.104 0.000 0.904 152 R CB 0.847 31.100 30.300 -0.078 0.000 1.089 152 R HN 0.263 nan 8.270 nan 0.000 0.471 153 P HA 0.087 nan 4.420 nan 0.000 0.282 153 P C -0.830 176.372 177.300 -0.164 0.000 1.274 153 P CA -0.187 62.665 63.100 -0.413 0.000 0.770 153 P CB 1.452 32.504 31.700 -1.080 0.000 0.867 154 T N 0.131 114.700 114.554 0.025 0.000 2.867 154 T HA 0.587 4.964 4.350 0.045 0.000 0.282 154 T C 0.784 175.639 174.700 0.259 0.000 1.000 154 T CA -0.722 61.468 62.100 0.151 0.000 1.042 154 T CB 1.042 69.940 68.868 0.050 0.000 0.973 154 T HN 0.384 nan 8.240 nan 0.000 0.465 155 G N 0.972 109.929 108.800 0.262 0.000 2.720 155 G HA2 0.284 4.271 3.960 0.045 0.000 0.237 155 G HA3 0.284 4.271 3.960 0.045 0.000 0.237 155 G C 0.433 175.396 174.900 0.105 0.000 1.239 155 G CA -0.576 44.633 45.100 0.180 0.000 0.847 155 G HN 0.953 nan 8.290 nan 0.000 0.593 156 F N -0.685 119.229 119.950 -0.060 0.000 2.661 156 F HA 0.111 4.665 4.527 0.044 0.000 0.298 156 F C 1.906 177.692 175.800 -0.023 0.000 1.137 156 F CA 0.208 58.164 58.000 -0.073 0.000 1.454 156 F CB -0.013 39.038 39.000 0.086 0.000 1.103 156 F HN 0.276 nan 8.300 nan 0.000 0.577 157 N N 1.340 119.699 118.700 -0.569 0.000 2.300 157 N HA -0.061 4.705 4.740 0.045 0.000 0.179 157 N C 0.409 175.800 175.510 -0.199 0.000 1.016 157 N CA 0.929 53.705 53.050 -0.457 0.000 0.876 157 N CB -0.472 37.740 38.487 -0.457 0.000 0.979 157 N HN 0.549 nan 8.380 nan 0.000 0.432 158 N N 0.538 119.163 118.700 -0.125 0.000 2.498 158 N HA 0.428 5.195 4.740 0.045 0.000 0.287 158 N C 0.243 175.726 175.510 -0.044 0.000 1.097 158 N CA -0.098 52.915 53.050 -0.062 0.000 0.973 158 N CB -0.022 38.449 38.487 -0.026 0.000 1.153 158 N HN 0.351 nan 8.380 nan 0.000 0.472 159 Q N -0.259 119.524 119.800 -0.029 0.000 2.361 159 Q HA 0.574 4.941 4.340 0.045 0.000 0.276 159 Q C 0.703 176.694 176.000 -0.014 0.000 1.022 159 Q CA 0.142 55.934 55.803 -0.017 0.000 0.898 159 Q CB -0.637 28.096 28.738 -0.008 0.000 1.246 159 Q HN 2.084 nan 8.270 nan 0.000 0.410 160 V N 1.872 121.775 119.914 -0.018 0.000 2.479 160 V HA 0.324 4.471 4.120 0.045 0.000 0.281 160 V C 0.303 176.396 176.094 -0.002 0.000 1.031 160 V CA -0.156 62.133 62.300 -0.020 0.000 1.038 160 V CB 0.961 32.767 31.823 -0.029 0.000 0.981 160 V HN 0.924 nan 8.190 nan 0.000 0.478 161 D N 4.022 124.425 120.400 0.006 0.000 2.325 161 D HA 0.161 4.828 4.640 0.045 0.000 0.251 161 D C 1.503 177.811 176.300 0.013 0.000 1.196 161 D CA 0.593 54.605 54.000 0.020 0.000 0.866 161 D CB 1.702 42.529 40.800 0.044 0.000 1.101 161 D HN 0.785 nan 8.370 nan 0.000 0.476 162 T N 0.353 114.914 114.554 0.011 0.000 2.904 162 T HA -0.107 4.270 4.350 0.045 0.000 0.267 162 T C 2.101 176.802 174.700 0.003 0.000 1.059 162 T CA 1.248 63.350 62.100 0.003 0.000 1.137 162 T CB -0.217 68.654 68.868 0.006 0.000 0.879 162 T HN 0.324 nan 8.240 nan 0.000 0.467 163 S N 1.807 117.519 115.700 0.021 0.000 2.399 163 S HA -0.022 4.474 4.470 0.045 0.000 0.231 163 S C 1.096 175.725 174.600 0.048 0.000 1.022 163 S CA 0.715 58.936 58.200 0.035 0.000 0.983 163 S CB -0.476 62.754 63.200 0.050 0.000 0.803 163 S HN 0.726 nan 8.310 nan 0.000 0.480 164 E N 0.854 121.083 120.200 0.050 0.000 2.044 164 E HA 0.237 4.614 4.350 0.045 0.000 0.282 164 E C 0.289 176.830 176.600 -0.098 0.000 1.031 164 E CA -0.385 56.040 56.400 0.042 0.000 0.824 164 E CB 1.101 30.853 29.700 0.087 0.000 1.076 164 E HN 0.360 nan 8.360 nan 0.000 0.395 165 K N 1.741 121.997 120.400 -0.239 0.000 2.147 165 K HA -0.138 4.209 4.320 0.045 0.000 0.205 165 K C 0.284 176.424 176.600 -0.766 0.000 1.049 165 K CA 1.167 57.102 56.287 -0.586 0.000 0.936 165 K CB 0.109 32.049 32.500 -0.933 0.000 0.722 165 K HN 0.499 nan 8.250 nan 0.000 0.446 166 Y N 0.016 120.287 120.300 -0.048 0.000 2.734 166 Y HA 0.310 4.886 4.550 0.043 0.000 0.278 166 Y C -0.212 175.632 175.900 -0.095 0.000 1.108 166 Y CA -0.588 57.464 58.100 -0.080 0.000 1.211 166 Y CB 0.662 39.068 38.460 -0.089 0.000 1.182 166 Y HN -0.223 nan 8.280 nan 0.000 0.547 167 S N -0.027 115.662 115.700 -0.017 0.000 2.532 167 S HA 0.652 5.149 4.470 0.045 0.000 0.301 167 S C -0.434 174.145 174.600 -0.034 0.000 1.083 167 S CA -0.762 57.421 58.200 -0.028 0.000 1.025 167 S CB 2.045 65.232 63.200 -0.022 0.000 1.056 167 S HN 0.168 nan 8.310 nan 0.000 0.494 168 S N 0.931 116.603 115.700 -0.047 0.000 2.526 168 S HA 0.335 4.832 4.470 0.045 0.000 0.293 168 S C 0.543 175.095 174.600 -0.080 0.000 1.092 168 S CA -0.573 57.601 58.200 -0.044 0.000 0.980 168 S CB 1.738 64.921 63.200 -0.028 0.000 1.048 168 S HN 0.787 nan 8.310 nan 0.000 0.483 169 Q N 2.074 121.789 119.800 -0.140 0.000 2.123 169 Q HA 0.092 4.459 4.340 0.045 0.000 0.199 169 Q C -0.635 175.106 176.000 -0.432 0.000 0.966 169 Q CA 1.359 56.949 55.803 -0.354 0.000 0.845 169 Q CB 0.107 28.477 28.738 -0.613 0.000 0.907 169 Q HN 0.716 nan 8.270 nan 0.000 0.439 170 F N -1.600 118.415 119.950 0.108 0.000 2.613 170 F HA 0.222 4.776 4.527 0.045 0.000 0.342 170 F C 1.256 177.080 175.800 0.040 0.000 1.066 170 F CA -0.710 57.361 58.000 0.118 0.000 1.002 170 F CB 1.166 40.212 39.000 0.076 0.000 1.319 170 F HN -0.160 nan 8.300 nan 0.000 0.495 171 S N -1.778 114.095 115.700 0.290 0.000 2.603 171 S HA 0.174 4.671 4.470 0.045 0.000 0.220 171 S C -0.182 174.444 174.600 0.042 0.000 0.967 171 S CA 0.051 58.304 58.200 0.090 0.000 0.920 171 S CB -0.757 62.523 63.200 0.134 0.000 0.773 171 S HN 0.539 nan 8.310 nan 0.000 0.529 172 E N 1.197 121.467 120.200 0.115 0.000 2.222 172 E HA 0.733 5.110 4.350 0.045 0.000 0.267 172 E C -0.374 176.293 176.600 0.113 0.000 0.884 172 E CA -0.687 55.756 56.400 0.072 0.000 0.764 172 E CB 1.932 31.653 29.700 0.035 0.000 1.169 172 E HN 0.545 nan 8.360 nan 0.000 0.413 173 I N -2.108 118.525 120.570 0.104 0.000 3.145 173 I HA 0.721 4.918 4.170 0.045 0.000 0.313 173 I C -0.492 175.712 176.117 0.145 0.000 1.122 173 I CA -0.979 60.396 61.300 0.126 0.000 0.987 173 I CB 2.455 40.521 38.000 0.111 0.000 1.236 173 I HN 0.269 nan 8.210 nan 0.000 0.453 174 S N 2.696 118.481 115.700 0.141 0.000 2.422 174 S HA 0.393 4.890 4.470 0.045 0.000 0.308 174 S C -1.431 173.307 174.600 0.230 0.000 1.097 174 S CA -0.370 57.926 58.200 0.159 0.000 1.099 174 S CB 0.440 63.706 63.200 0.111 0.000 0.976 174 S HN 0.581 nan 8.310 nan 0.000 0.471 175 W N 5.842 127.166 121.300 0.040 0.000 2.314 175 W HA 0.387 5.071 4.660 0.040 0.000 0.310 175 W C -0.497 176.021 176.519 -0.001 0.000 1.075 175 W CA -1.126 56.230 57.345 0.018 0.000 1.253 175 W CB 0.600 30.056 29.460 -0.005 0.000 1.238 175 W HN 0.627 nan 8.180 nan 0.000 0.440 176 Q N 4.599 124.631 119.800 0.388 0.000 2.347 176 Q HA 0.486 4.853 4.340 0.045 0.000 0.262 176 Q C 0.382 176.446 176.000 0.108 0.000 0.980 176 Q CA -0.296 55.602 55.803 0.159 0.000 0.867 176 Q CB 1.171 29.981 28.738 0.120 0.000 1.242 176 Q HN 0.674 nan 8.270 nan 0.000 0.453 177 G N 3.399 112.177 108.800 -0.037 0.000 2.651 177 G HA2 0.198 4.184 3.960 0.045 0.000 0.260 177 G HA3 0.198 4.184 3.960 0.045 0.000 0.260 177 G C -1.707 173.189 174.900 -0.005 0.000 1.216 177 G CA -0.957 44.101 45.100 -0.070 0.000 0.913 177 G HN 0.606 nan 8.290 nan 0.000 0.535 178 P HA -0.025 nan 4.420 nan 0.000 0.234 178 P C 0.604 177.914 177.300 0.017 0.000 1.167 178 P CA 1.053 64.169 63.100 0.026 0.000 0.763 178 P CB 0.291 32.015 31.700 0.041 0.000 0.835 179 D N -1.806 118.590 120.400 -0.007 0.000 2.369 179 D HA -0.006 4.661 4.640 0.045 0.000 0.211 179 D C 0.297 176.586 176.300 -0.017 0.000 1.077 179 D CA -0.308 53.685 54.000 -0.012 0.000 0.842 179 D CB -0.519 40.262 40.800 -0.032 0.000 0.947 179 D HN -0.143 nan 8.370 nan 0.000 0.509 180 N N -0.634 118.058 118.700 -0.013 0.000 2.984 180 N HA -0.151 4.616 4.740 0.045 0.000 0.227 180 N C -0.845 174.652 175.510 -0.022 0.000 0.903 180 N CA 0.728 53.773 53.050 -0.008 0.000 0.995 180 N CB -1.860 36.626 38.487 -0.003 0.000 1.065 180 N HN 0.098 nan 8.380 nan 0.000 0.585 181 S N 1.005 116.676 115.700 -0.048 0.000 2.537 181 S HA 0.174 4.671 4.470 0.045 0.000 0.286 181 S C 0.669 175.234 174.600 -0.058 0.000 1.299 181 S CA 0.056 58.217 58.200 -0.065 0.000 1.067 181 S CB 0.940 64.079 63.200 -0.103 0.000 0.864 181 S HN 0.118 nan 8.310 nan 0.000 0.494 182 R N 2.112 122.592 120.500 -0.034 0.000 2.514 182 R HA 0.660 5.026 4.340 0.045 0.000 0.301 182 R C -0.131 176.166 176.300 -0.005 0.000 0.962 182 R CA -0.569 55.531 56.100 -0.002 0.000 0.882 182 R CB 1.119 31.434 30.300 0.026 0.000 1.143 182 R HN 0.671 nan 8.270 nan 0.000 0.452 183 I N -0.803 119.783 120.570 0.027 0.000 3.002 183 I HA 0.464 4.661 4.170 0.045 0.000 0.310 183 I C -0.857 175.334 176.117 0.124 0.000 1.087 183 I CA -1.557 59.771 61.300 0.047 0.000 1.017 183 I CB 1.484 39.486 38.000 0.003 0.000 1.226 183 I HN 0.303 nan 8.210 nan 0.000 0.443 184 L N 3.049 124.334 121.223 0.104 0.000 2.418 184 L HA 0.583 4.950 4.340 0.045 0.000 0.274 184 L C 0.296 177.288 176.870 0.204 0.000 1.135 184 L CA 0.523 55.435 54.840 0.120 0.000 0.870 184 L CB 0.373 42.467 42.059 0.058 0.000 1.154 184 L HN 0.802 nan 8.230 nan 0.000 0.462 185 G N 5.608 114.561 108.800 0.255 0.000 2.322 185 G HA2 0.502 4.489 3.960 0.045 0.000 0.309 185 G HA3 0.502 4.489 3.960 0.045 0.000 0.309 185 G C -1.250 173.747 174.900 0.161 0.000 1.121 185 G CA -0.490 44.832 45.100 0.370 0.000 0.886 185 G HN 0.524 nan 8.290 nan 0.000 0.447 186 L N 3.247 124.505 121.223 0.059 0.000 2.301 186 L HA 0.454 4.821 4.340 0.045 0.000 0.278 186 L C -0.375 176.146 176.870 -0.582 0.000 1.022 186 L CA -0.956 53.774 54.840 -0.184 0.000 0.854 186 L CB 1.315 43.277 42.059 -0.162 0.000 1.226 186 L HN 0.455 nan 8.230 nan 0.000 0.429 187 L N 4.384 125.250 121.223 -0.594 0.000 2.292 187 L HA 0.483 4.850 4.340 0.045 0.000 0.284 187 L C -0.624 175.916 176.870 -0.551 0.000 1.065 187 L CA 0.238 54.581 54.840 -0.829 0.000 0.806 187 L CB 0.608 42.286 42.059 -0.635 0.000 1.175 187 L HN 0.360 nan 8.230 nan 0.000 0.431 188 F N 5.661 125.427 119.950 -0.307 0.000 2.679 188 F HA 0.262 4.816 4.527 0.045 0.000 0.351 188 F C 1.551 177.304 175.800 -0.077 0.000 1.279 188 F CA 0.332 58.243 58.000 -0.149 0.000 1.227 188 F CB -0.432 38.462 39.000 -0.177 0.000 1.623 188 F HN 0.749 nan 8.300 nan 0.000 0.666 189 A N 1.669 124.505 122.820 0.026 0.000 2.019 189 A HA -0.166 4.180 4.320 0.045 0.000 0.219 189 A C 1.835 179.459 177.584 0.066 0.000 1.164 189 A CA 1.419 53.410 52.037 -0.077 0.000 0.644 189 A CB -0.247 18.636 19.000 -0.196 0.000 0.805 189 A HN 0.593 nan 8.150 nan 0.000 0.449 190 N N -2.195 116.616 118.700 0.184 0.000 2.282 190 N HA 0.100 4.867 4.740 0.045 0.000 0.240 190 N C -0.484 175.166 175.510 0.234 0.000 1.182 190 N CA -0.100 53.065 53.050 0.192 0.000 0.874 190 N CB 0.203 38.799 38.487 0.182 0.000 1.126 190 N HN 0.637 nan 8.380 nan 0.000 0.516 191 W N 1.149 122.424 121.300 -0.042 0.000 3.078 191 W HA -0.309 4.377 4.660 0.043 0.000 0.401 191 W C -0.145 176.227 176.519 -0.245 0.000 1.192 191 W CA -0.234 56.983 57.345 -0.214 0.000 0.459 191 W CB -0.454 28.797 29.460 -0.348 0.000 2.859 191 W HN 0.259 nan 8.180 nan 0.000 0.416 192 Y N 0.874 120.633 120.300 -0.902 0.000 2.584 192 Y HA 0.231 4.808 4.550 0.044 0.000 0.317 192 Y C 1.659 177.372 175.900 -0.311 0.000 1.208 192 Y CA 0.917 58.433 58.100 -0.973 0.000 1.299 192 Y CB -1.141 36.366 38.460 -1.587 0.000 1.047 192 Y HN 0.270 nan 8.280 nan 0.000 0.506 193 S N -0.862 114.777 115.700 -0.102 0.000 2.578 193 S HA -0.003 4.494 4.470 0.045 0.000 0.231 193 S C 1.349 176.021 174.600 0.119 0.000 0.994 193 S CA -0.122 58.154 58.200 0.127 0.000 0.956 193 S CB -0.658 62.638 63.200 0.161 0.000 0.870 193 S HN 0.588 nan 8.310 nan 0.000 0.494 194 N N 2.877 121.633 118.700 0.094 0.000 2.272 194 N HA -0.051 4.716 4.740 0.045 0.000 0.185 194 N C 1.264 176.810 175.510 0.061 0.000 1.014 194 N CA 1.671 54.760 53.050 0.065 0.000 0.870 194 N CB -1.114 37.425 38.487 0.086 0.000 0.975 194 N HN 0.504 nan 8.380 nan 0.000 0.433 195 G N -0.425 108.466 108.800 0.151 0.000 3.605 195 G HA2 0.040 4.027 3.960 0.045 0.000 0.277 195 G HA3 0.040 4.027 3.960 0.045 0.000 0.277 195 G C -0.115 174.933 174.900 0.247 0.000 1.093 195 G CA -0.519 44.720 45.100 0.231 0.000 0.821 195 G HN 0.283 nan 8.290 nan 0.000 0.532 196 N N 1.416 120.246 118.700 0.217 0.000 2.513 196 N HA 0.122 4.889 4.740 0.045 0.000 0.268 196 N C 0.344 175.939 175.510 0.141 0.000 1.180 196 N CA 0.086 53.237 53.050 0.168 0.000 0.948 196 N CB 0.124 38.699 38.487 0.147 0.000 1.083 196 N HN 0.344 nan 8.380 nan 0.000 0.455 197 E N 1.016 121.247 120.200 0.052 0.000 2.252 197 E HA -0.222 4.154 4.350 0.045 0.000 0.199 197 E C -0.558 175.888 176.600 -0.257 0.000 1.352 197 E CA 0.157 56.536 56.400 -0.034 0.000 0.682 197 E CB -1.277 28.432 29.700 0.015 0.000 1.142 197 E HN 0.541 nan 8.360 nan 0.000 0.367 198 I N 1.210 121.552 120.570 -0.380 0.000 2.598 198 I HA 0.095 4.292 4.170 0.045 0.000 0.284 198 I C -1.732 174.075 176.117 -0.517 0.000 1.140 198 I CA -1.572 59.248 61.300 -0.799 0.000 1.420 198 I CB 0.041 37.787 38.000 -0.423 0.000 1.387 198 I HN -0.038 nan 8.210 nan 0.000 0.553 199 P HA 0.105 nan 4.420 nan 0.000 0.274 199 P C 0.361 177.567 177.300 -0.155 0.000 1.231 199 P CA -0.306 62.622 63.100 -0.287 0.000 0.790 199 P CB 0.638 32.191 31.700 -0.245 0.000 0.951 200 T N -3.617 110.882 114.554 -0.091 0.000 3.129 200 T HA 0.210 4.587 4.350 0.045 0.000 0.267 200 T C 0.205 174.885 174.700 -0.033 0.000 1.018 200 T CA -0.211 61.857 62.100 -0.053 0.000 0.903 200 T CB -0.849 67.994 68.868 -0.042 0.000 1.067 200 T HN 0.481 nan 8.240 nan 0.000 0.549 201 T N -1.864 112.673 114.554 -0.029 0.000 2.861 201 T HA 0.475 4.852 4.350 0.045 0.000 0.287 201 T C 0.755 175.455 174.700 -0.000 0.000 1.003 201 T CA -0.772 61.320 62.100 -0.014 0.000 0.977 201 T CB 2.547 71.408 68.868 -0.012 0.000 0.996 201 T HN -0.047 nan 8.240 nan 0.000 0.448 202 E N 1.902 122.102 120.200 0.000 0.000 2.065 202 E HA -0.277 4.100 4.350 0.045 0.000 0.201 202 E C 2.161 178.776 176.600 0.025 0.000 1.016 202 E CA 2.040 58.444 56.400 0.006 0.000 0.818 202 E CB -0.516 29.178 29.700 -0.010 0.000 0.749 202 E HN 0.858 nan 8.360 nan 0.000 0.453 203 A N 0.866 123.698 122.820 0.020 0.000 1.865 203 A HA -0.225 4.122 4.320 0.045 0.000 0.217 203 A C 2.074 179.689 177.584 0.051 0.000 1.191 203 A CA 2.031 54.086 52.037 0.031 0.000 0.623 203 A CB -0.654 18.358 19.000 0.021 0.000 0.826 203 A HN 0.249 nan 8.150 nan 0.000 0.444 204 E N -0.145 120.079 120.200 0.040 0.000 2.077 204 E HA -0.045 4.331 4.350 0.045 0.000 0.193 204 E C 2.251 178.902 176.600 0.085 0.000 0.989 204 E CA 1.382 57.812 56.400 0.049 0.000 0.800 204 E CB -0.467 29.239 29.700 0.010 0.000 0.746 204 E HN 0.574 nan 8.360 nan 0.000 0.452 205 A N 0.609 123.478 122.820 0.081 0.000 1.883 205 A HA -0.233 4.114 4.320 0.045 0.000 0.217 205 A C 2.162 179.963 177.584 0.361 0.000 1.186 205 A CA 1.848 53.990 52.037 0.175 0.000 0.624 205 A CB -0.464 18.645 19.000 0.182 0.000 0.822 205 A HN 0.122 nan 8.150 nan 0.000 0.444 206 R N -0.652 120.006 120.500 0.264 0.000 2.075 206 R HA -0.005 4.361 4.340 0.045 0.000 0.232 206 R C 2.102 178.568 176.300 0.276 0.000 1.126 206 R CA 1.279 57.558 56.100 0.299 0.000 0.963 206 R CB -0.373 30.005 30.300 0.131 0.000 0.858 206 R HN 0.539 nan 8.270 nan 0.000 0.435 207 L N -0.183 121.148 121.223 0.180 0.000 2.042 207 L HA -0.233 4.134 4.340 0.045 0.000 0.210 207 L C 2.274 179.220 176.870 0.126 0.000 1.076 207 L CA 1.489 56.407 54.840 0.130 0.000 0.749 207 L CB -0.431 41.683 42.059 0.091 0.000 0.893 207 L HN 0.247 nan 8.230 nan 0.000 0.432 208 F N -0.587 119.343 119.950 -0.033 0.000 2.060 208 F HA -0.254 4.300 4.527 0.045 0.000 0.295 208 F C 2.067 177.755 175.800 -0.186 0.000 1.120 208 F CA 1.687 59.574 58.000 -0.187 0.000 1.205 208 F CB -0.378 38.405 39.000 -0.362 0.000 0.986 208 F HN -0.025 nan 8.300 nan 0.000 0.470 209 W N 0.728 122.226 121.300 0.331 0.000 2.436 209 W HA -0.107 4.580 4.660 0.044 0.000 0.284 209 W C 2.177 178.662 176.519 -0.056 0.000 1.225 209 W CA 0.548 57.971 57.345 0.130 0.000 1.271 209 W CB -0.373 29.150 29.460 0.105 0.000 1.114 209 W HN -0.028 nan 8.180 nan 0.000 0.559 210 D N 0.304 120.865 120.400 0.270 0.000 2.133 210 D HA -0.222 4.445 4.640 0.045 0.000 0.195 210 D C 1.841 178.168 176.300 0.045 0.000 0.997 210 D CA 1.565 55.657 54.000 0.152 0.000 0.840 210 D CB -0.334 40.564 40.800 0.162 0.000 0.947 210 D HN 0.169 nan 8.370 nan 0.000 0.452 211 K N 0.289 120.677 120.400 -0.019 0.000 2.044 211 K HA -0.079 4.268 4.320 0.045 0.000 0.204 211 K C 1.902 178.437 176.600 -0.108 0.000 1.049 211 K CA 0.751 56.990 56.287 -0.080 0.000 0.945 211 K CB 0.206 32.627 32.500 -0.133 0.000 0.724 211 K HN -0.198 nan 8.250 nan 0.000 0.440 212 K N 0.986 121.269 120.400 -0.195 0.000 2.057 212 K HA -0.033 4.313 4.320 0.045 0.000 0.207 212 K C 1.916 178.537 176.600 0.035 0.000 1.049 212 K CA 1.107 57.294 56.287 -0.165 0.000 0.931 212 K CB -0.176 32.071 32.500 -0.422 0.000 0.714 212 K HN 0.130 nan 8.250 nan 0.000 0.440 213 L N -0.357 120.919 121.223 0.088 0.000 2.056 213 L HA -0.143 4.224 4.340 0.045 0.000 0.207 213 L C 2.312 179.189 176.870 0.012 0.000 1.078 213 L CA 1.309 56.161 54.840 0.021 0.000 0.749 213 L CB -0.525 41.398 42.059 -0.226 0.000 0.901 213 L HN 0.173 nan 8.230 nan 0.000 0.433 214 A N -0.335 122.485 122.820 0.001 0.000 1.930 214 A HA -0.215 4.132 4.320 0.045 0.000 0.217 214 A C 1.890 179.458 177.584 -0.027 0.000 1.175 214 A CA 1.823 53.864 52.037 0.006 0.000 0.627 214 A CB -0.455 18.549 19.000 0.007 0.000 0.815 214 A HN 0.333 nan 8.150 nan 0.000 0.443 215 D N 0.122 120.508 120.400 -0.024 0.000 2.117 215 D HA -0.052 4.614 4.640 0.045 0.000 0.197 215 D C 2.219 178.527 176.300 0.013 0.000 0.987 215 D CA 1.606 55.595 54.000 -0.019 0.000 0.829 215 D CB -0.347 40.461 40.800 0.012 0.000 0.961 215 D HN 0.424 nan 8.370 nan 0.000 0.460 216 A N 0.730 123.588 122.820 0.062 0.000 1.872 216 A HA -0.126 4.221 4.320 0.045 0.000 0.214 216 A C 2.062 179.682 177.584 0.060 0.000 1.187 216 A CA 1.131 53.236 52.037 0.114 0.000 0.614 216 A CB -0.503 18.576 19.000 0.132 0.000 0.826 216 A HN 0.133 nan 8.150 nan 0.000 0.442 217 E N -0.685 119.527 120.200 0.020 0.000 2.209 217 E HA -0.225 4.151 4.350 0.045 0.000 0.196 217 E C 2.175 178.727 176.600 -0.080 0.000 0.993 217 E CA 1.063 57.452 56.400 -0.018 0.000 0.819 217 E CB -0.134 29.584 29.700 0.031 0.000 0.745 217 E HN 0.575 nan 8.360 nan 0.000 0.477 218 R N -0.409 120.023 120.500 -0.114 0.000 2.152 218 R HA -0.150 4.217 4.340 0.045 0.000 0.232 218 R C 1.053 177.203 176.300 -0.251 0.000 1.117 218 R CA 1.367 57.347 56.100 -0.201 0.000 0.981 218 R CB 0.085 30.008 30.300 -0.628 0.000 0.870 218 R HN 0.121 nan 8.270 nan 0.000 0.451 219 F N -0.833 119.212 119.950 0.159 0.000 2.711 219 F HA 0.421 4.976 4.527 0.046 0.000 0.296 219 F C 0.751 176.687 175.800 0.226 0.000 1.096 219 F CA -0.409 57.700 58.000 0.182 0.000 1.280 219 F CB -0.296 38.781 39.000 0.128 0.000 1.060 219 F HN -0.098 nan 8.300 nan 0.000 0.608 220 A N 0.963 123.923 122.820 0.235 0.000 2.545 220 A HA 0.284 4.631 4.320 0.045 0.000 0.253 220 A C 1.522 179.089 177.584 -0.029 0.000 1.074 220 A CA 0.630 52.738 52.037 0.117 0.000 0.760 220 A CB -0.098 18.937 19.000 0.058 0.000 1.005 220 A HN 0.391 nan 8.150 nan 0.000 0.506 221 S N 1.829 117.410 115.700 -0.199 0.000 2.461 221 S HA 0.024 4.521 4.470 0.045 0.000 0.228 221 S C 0.957 175.293 174.600 -0.440 0.000 1.005 221 S CA 0.996 58.742 58.200 -0.758 0.000 0.942 221 S CB -0.587 62.005 63.200 -1.014 0.000 0.776 221 S HN 1.305 nan 8.310 nan 0.000 0.514 222 T N -0.625 113.791 114.554 -0.231 0.000 2.883 222 T HA 0.508 4.885 4.350 0.045 0.000 0.284 222 T C 0.399 175.015 174.700 -0.140 0.000 1.041 222 T CA -0.700 61.309 62.100 -0.152 0.000 1.007 222 T CB 1.564 70.408 68.868 -0.040 0.000 1.220 222 T HN 0.209 nan 8.240 nan 0.000 0.552 223 K N -0.835 119.445 120.400 -0.199 0.000 2.555 223 K HA 0.036 4.383 4.320 0.045 0.000 0.193 223 K C 0.220 176.634 176.600 -0.310 0.000 1.032 223 K CA 0.346 56.463 56.287 -0.284 0.000 1.004 223 K CB -0.298 31.991 32.500 -0.352 0.000 0.804 223 K HN 0.556 nan 8.250 nan 0.000 0.496 224 H N 1.475 120.540 119.070 -0.009 0.000 2.594 224 H HA 0.240 4.822 4.556 0.044 0.000 0.304 224 H C -0.577 174.891 175.328 0.233 0.000 1.068 224 H CA -0.598 55.527 56.048 0.128 0.000 1.308 224 H CB 0.862 30.610 29.762 -0.024 0.000 1.409 224 H HN 0.080 nan 8.280 nan 0.000 0.460 225 L N 4.591 126.025 121.223 0.352 0.000 2.282 225 L HA 0.189 4.556 4.340 0.045 0.000 0.288 225 L C 0.020 177.027 176.870 0.227 0.000 1.033 225 L CA -0.951 54.038 54.840 0.249 0.000 0.807 225 L CB 1.503 43.644 42.059 0.136 0.000 1.209 225 L HN 0.244 nan 8.230 nan 0.000 0.423 226 L N 5.385 126.664 121.223 0.093 0.000 2.295 226 L HA 0.354 4.721 4.340 0.045 0.000 0.288 226 L C -0.336 176.544 176.870 0.016 0.000 1.079 226 L CA 0.195 54.940 54.840 -0.159 0.000 0.830 226 L CB 0.472 42.327 42.059 -0.339 0.000 1.200 226 L HN 0.489 nan 8.230 nan 0.000 0.438 227 M N 6.437 126.071 119.600 0.056 0.000 2.047 227 M HA 0.348 4.854 4.480 0.045 0.000 0.342 227 M C -0.709 175.650 176.300 0.099 0.000 1.058 227 M CA -0.460 54.937 55.300 0.162 0.000 0.991 227 M CB 1.267 34.075 32.600 0.347 0.000 1.474 227 M HN 0.400 nan 8.290 nan 0.000 0.419 228 M N 3.063 122.719 119.600 0.093 0.000 2.135 228 M HA 0.162 4.669 4.480 0.045 0.000 0.345 228 M C 0.502 176.954 176.300 0.253 0.000 1.340 228 M CA 0.198 55.546 55.300 0.079 0.000 1.162 228 M CB -0.502 32.070 32.600 -0.045 0.000 1.570 228 M HN 0.504 nan 8.290 nan 0.000 0.454 229 N N 2.870 121.744 118.700 0.291 0.000 2.968 229 N HA 0.376 5.143 4.740 0.045 0.000 0.271 229 N C -0.300 175.312 175.510 0.170 0.000 1.174 229 N CA 0.083 53.280 53.050 0.245 0.000 1.096 229 N CB 0.347 38.963 38.487 0.216 0.000 1.403 229 N HN 0.886 nan 8.380 nan 0.000 0.522 230 G N 0.503 109.359 108.800 0.094 0.000 2.315 230 G HA2 0.352 4.339 3.960 0.045 0.000 0.294 230 G HA3 0.352 4.339 3.960 0.045 0.000 0.294 230 G C -1.839 173.034 174.900 -0.044 0.000 1.300 230 G CA -0.422 44.536 45.100 -0.237 0.000 0.843 230 G HN 0.502 nan 8.290 nan 0.000 0.527 231 C N -1.302 117.970 119.300 -0.046 0.000 3.260 231 C HA 0.579 5.066 4.460 0.045 0.000 0.366 231 C C -1.289 173.822 174.990 0.203 0.000 1.537 231 C CA -0.635 58.511 59.018 0.214 0.000 1.160 231 C CB 0.927 28.784 27.740 0.196 0.000 1.760 231 C HN 0.851 nan 8.230 nan 0.000 0.432 232 D N 1.297 121.865 120.400 0.280 0.000 2.451 232 D HA 0.217 4.883 4.640 0.045 0.000 0.254 232 D C 0.463 176.785 176.300 0.036 0.000 1.204 232 D CA 1.262 55.334 54.000 0.119 0.000 0.896 232 D CB -0.240 40.708 40.800 0.247 0.000 1.136 232 D HN 0.755 nan 8.370 nan 0.000 0.499 233 H N -0.806 118.244 119.070 -0.033 0.000 2.861 233 H HA -0.239 4.344 4.556 0.045 0.000 0.289 233 H C 0.186 175.597 175.328 0.139 0.000 1.176 233 H CA 0.484 56.390 56.048 -0.237 0.000 1.146 233 H CB -1.215 28.286 29.762 -0.435 0.000 1.330 233 H HN 0.312 nan 8.280 nan 0.000 0.379 234 Q N 1.722 121.686 119.800 0.273 0.000 2.313 234 Q HA 0.230 4.597 4.340 0.045 0.000 0.266 234 Q C -2.335 173.850 176.000 0.309 0.000 0.989 234 Q CA -1.680 54.264 55.803 0.236 0.000 0.890 234 Q CB 0.893 29.716 28.738 0.142 0.000 1.200 234 Q HN 0.146 nan 8.270 nan 0.000 0.396 235 P HA -0.069 nan 4.420 nan 0.000 0.269 235 P C -0.997 176.402 177.300 0.165 0.000 1.215 235 P CA -0.347 62.860 63.100 0.180 0.000 0.780 235 P CB 0.539 32.309 31.700 0.117 0.000 0.898 236 V N 2.615 122.571 119.914 0.071 0.000 2.763 236 V HA -0.047 4.099 4.120 0.045 0.000 0.306 236 V C 0.287 176.468 176.094 0.145 0.000 1.059 236 V CA 0.104 62.471 62.300 0.111 0.000 1.138 236 V CB 0.224 31.903 31.823 -0.240 0.000 0.940 236 V HN 0.456 nan 8.190 nan 0.000 0.489 237 Q N 4.935 124.884 119.800 0.249 0.000 2.348 237 Q HA 0.222 4.589 4.340 0.045 0.000 0.251 237 Q C 0.695 176.817 176.000 0.203 0.000 1.113 237 Q CA -0.211 55.700 55.803 0.179 0.000 0.902 237 Q CB 0.640 29.469 28.738 0.152 0.000 1.333 237 Q HN 0.921 nan 8.270 nan 0.000 0.457 238 L N 2.797 124.084 121.223 0.107 0.000 2.275 238 L HA -0.117 4.250 4.340 0.045 0.000 0.215 238 L C 0.912 177.849 176.870 0.111 0.000 1.119 238 L CA 0.778 55.668 54.840 0.082 0.000 0.790 238 L CB -0.106 41.954 42.059 0.001 0.000 0.919 238 L HN 0.654 nan 8.230 nan 0.000 0.443 239 D N -1.517 118.932 120.400 0.082 0.000 2.643 239 D HA -0.010 4.657 4.640 0.045 0.000 0.244 239 D C 1.350 177.664 176.300 0.023 0.000 1.257 239 D CA -0.118 53.912 54.000 0.050 0.000 0.831 239 D CB 0.090 40.901 40.800 0.017 0.000 1.043 239 D HN -0.055 nan 8.370 nan 0.000 0.488 240 V N 0.257 120.192 119.914 0.035 0.000 2.453 240 V HA -0.216 3.931 4.120 0.045 0.000 0.247 240 V C 1.989 177.990 176.094 -0.154 0.000 1.048 240 V CA 2.254 64.507 62.300 -0.078 0.000 1.049 240 V CB -0.367 31.367 31.823 -0.148 0.000 0.672 240 V HN 0.313 nan 8.190 nan 0.000 0.457 241 T N 0.023 114.501 114.554 -0.126 0.000 2.635 241 T HA -0.291 4.085 4.350 0.045 0.000 0.267 241 T C 1.885 176.552 174.700 -0.056 0.000 1.040 241 T CA 2.258 64.300 62.100 -0.097 0.000 1.156 241 T CB -0.325 68.549 68.868 0.009 0.000 0.863 241 T HN 0.516 nan 8.240 nan 0.000 0.430 242 K N 0.883 121.267 120.400 -0.027 0.000 2.044 242 K HA -0.121 4.226 4.320 0.045 0.000 0.210 242 K C 2.465 179.038 176.600 -0.045 0.000 1.049 242 K CA 1.445 57.716 56.287 -0.026 0.000 0.927 242 K CB -0.343 32.149 32.500 -0.013 0.000 0.713 242 K HN 0.307 nan 8.250 nan 0.000 0.443 243 A N 0.995 123.783 122.820 -0.053 0.000 1.969 243 A HA -0.094 4.252 4.320 0.045 0.000 0.218 243 A C 2.035 179.574 177.584 -0.074 0.000 1.169 243 A CA 1.278 53.284 52.037 -0.052 0.000 0.635 243 A CB -0.430 18.538 19.000 -0.054 0.000 0.810 243 A HN 0.356 nan 8.150 nan 0.000 0.445 244 I N -0.496 120.017 120.570 -0.094 0.000 2.353 244 I HA -0.200 3.996 4.170 0.045 0.000 0.248 244 I C 2.882 178.914 176.117 -0.142 0.000 1.119 244 I CA 0.871 62.094 61.300 -0.128 0.000 1.417 244 I CB -0.248 37.704 38.000 -0.080 0.000 1.078 244 I HN 0.345 nan 8.210 nan 0.000 0.421 245 A N 0.747 123.514 122.820 -0.088 0.000 1.930 245 A HA -0.181 4.166 4.320 0.045 0.000 0.217 245 A C 2.231 179.763 177.584 -0.086 0.000 1.175 245 A CA 1.263 53.262 52.037 -0.063 0.000 0.627 245 A CB -0.650 18.330 19.000 -0.034 0.000 0.815 245 A HN 0.365 nan 8.150 nan 0.000 0.443 246 L N -0.110 121.055 121.223 -0.097 0.000 2.017 246 L HA -0.037 4.330 4.340 0.045 0.000 0.208 246 L C 2.658 179.432 176.870 -0.161 0.000 1.073 246 L CA 2.196 56.980 54.840 -0.093 0.000 0.745 246 L CB -0.848 41.177 42.059 -0.056 0.000 0.894 246 L HN 0.330 nan 8.230 nan 0.000 0.432 247 A N -0.331 122.291 122.820 -0.330 0.000 1.917 247 A HA -0.254 4.093 4.320 0.045 0.000 0.219 247 A C 2.128 179.417 177.584 -0.491 0.000 1.182 247 A CA 2.060 53.628 52.037 -0.781 0.000 0.633 247 A CB -0.848 17.001 19.000 -1.918 0.000 0.819 247 A HN 0.640 nan 8.150 nan 0.000 0.448 248 N N -0.785 117.772 118.700 -0.239 0.000 2.188 248 N HA -0.126 4.641 4.740 0.045 0.000 0.184 248 N C 2.201 177.735 175.510 0.041 0.000 1.018 248 N CA 1.798 54.882 53.050 0.056 0.000 0.858 248 N CB -0.550 37.978 38.487 0.068 0.000 0.989 248 N HN 0.730 nan 8.380 nan 0.000 0.426 249 Q N 1.125 120.908 119.800 -0.028 0.000 2.119 249 Q HA 0.044 4.411 4.340 0.045 0.000 0.201 249 Q C 2.318 178.282 176.000 -0.060 0.000 0.972 249 Q CA 0.891 56.676 55.803 -0.031 0.000 0.847 249 Q CB -0.798 27.915 28.738 -0.042 0.000 0.903 249 Q HN 0.382 nan 8.270 nan 0.000 0.433 250 L N -1.627 119.526 121.223 -0.117 0.000 2.179 250 L HA 0.090 4.457 4.340 0.045 0.000 0.208 250 L C 0.134 176.748 176.870 -0.426 0.000 1.096 250 L CA 0.454 55.115 54.840 -0.298 0.000 0.779 250 L CB 0.202 42.013 42.059 -0.414 0.000 0.922 250 L HN 0.479 nan 8.230 nan 0.000 0.443 251 Y N -0.902 119.444 120.300 0.077 0.000 2.686 251 Y HA 0.281 4.858 4.550 0.045 0.000 0.331 251 Y C -1.750 174.276 175.900 0.210 0.000 0.996 251 Y CA -2.147 56.071 58.100 0.196 0.000 1.293 251 Y CB 0.579 39.216 38.460 0.296 0.000 1.092 251 Y HN -0.109 nan 8.280 nan 0.000 0.524 252 P HA -0.111 nan 4.420 nan 0.000 0.218 252 P C 0.919 178.290 177.300 0.119 0.000 1.149 252 P CA 1.327 64.510 63.100 0.138 0.000 0.817 252 P CB 0.540 32.286 31.700 0.077 0.000 0.785 253 D N -2.358 118.135 120.400 0.156 0.000 2.310 253 D HA -0.057 4.610 4.640 0.045 0.000 0.212 253 D C 0.002 176.143 176.300 -0.265 0.000 0.965 253 D CA 0.822 54.799 54.000 -0.038 0.000 0.879 253 D CB -0.232 40.551 40.800 -0.028 0.000 0.921 253 D HN 0.235 nan 8.370 nan 0.000 0.510 254 Y N 0.020 120.305 120.300 -0.025 0.000 2.393 254 Y HA 0.299 4.876 4.550 0.044 0.000 0.341 254 Y C 0.302 176.076 175.900 -0.210 0.000 0.988 254 Y CA -0.951 57.009 58.100 -0.233 0.000 1.078 254 Y CB 1.585 39.757 38.460 -0.481 0.000 1.203 254 Y HN -0.317 nan 8.280 nan 0.000 0.453 255 E N 4.197 124.280 120.200 -0.195 0.000 2.103 255 E HA 0.272 4.649 4.350 0.045 0.000 0.254 255 E C -1.581 174.883 176.600 -0.226 0.000 0.940 255 E CA -0.512 55.812 56.400 -0.127 0.000 0.771 255 E CB 0.305 29.933 29.700 -0.121 0.000 1.153 255 E HN 0.505 nan 8.360 nan 0.000 0.428 256 F N 3.561 123.444 119.950 -0.113 0.000 2.445 256 F HA 0.165 4.719 4.527 0.045 0.000 0.359 256 F C 0.384 176.108 175.800 -0.126 0.000 1.101 256 F CA -0.482 57.421 58.000 -0.161 0.000 1.177 256 F CB 0.943 39.805 39.000 -0.231 0.000 1.110 256 F HN 0.112 nan 8.300 nan 0.000 0.522 257 V N 0.427 120.336 119.914 -0.008 0.000 2.709 257 V HA 0.378 4.525 4.120 0.045 0.000 0.308 257 V C -0.386 175.703 176.094 -0.008 0.000 1.062 257 V CA -0.971 61.303 62.300 -0.043 0.000 0.901 257 V CB 1.495 33.226 31.823 -0.153 0.000 1.003 257 V HN 0.791 nan 8.190 nan 0.000 0.425 258 H N 2.400 121.395 119.070 -0.125 0.000 3.017 258 H HA 0.427 5.010 4.556 0.045 0.000 0.276 258 H C 0.159 175.259 175.328 -0.380 0.000 1.062 258 H CA 0.650 56.596 56.048 -0.169 0.000 1.486 258 H CB 0.764 30.448 29.762 -0.130 0.000 1.507 258 H HN 0.930 nan 8.280 nan 0.000 0.508 259 S N 3.260 118.755 115.700 -0.342 0.000 2.823 259 S HA 0.662 5.159 4.470 0.045 0.000 0.316 259 S C -0.667 173.760 174.600 -0.287 0.000 1.116 259 S CA -0.309 57.648 58.200 -0.406 0.000 0.911 259 S CB 0.955 64.144 63.200 -0.018 0.000 1.276 259 S HN 0.838 nan 8.310 nan 0.000 0.565 260 C N -0.763 118.462 119.300 -0.125 0.000 3.236 260 C HA 0.716 5.203 4.460 0.045 0.000 0.312 260 C C 0.979 175.920 174.990 -0.081 0.000 1.374 260 C CA -0.732 58.246 59.018 -0.066 0.000 1.455 260 C CB -0.666 27.158 27.740 0.140 0.000 1.834 260 C HN 0.813 nan 8.230 nan 0.000 0.460 261 F N 0.600 120.532 119.950 -0.031 0.000 2.171 261 F HA -0.010 4.544 4.527 0.045 0.000 0.300 261 F C 2.526 178.340 175.800 0.022 0.000 1.090 261 F CA 2.208 60.184 58.000 -0.040 0.000 1.293 261 F CB -0.311 38.599 39.000 -0.151 0.000 1.013 261 F HN 0.885 nan 8.300 nan 0.000 0.486 262 E N 0.237 120.557 120.200 0.200 0.000 2.051 262 E HA -0.229 4.148 4.350 0.045 0.000 0.192 262 E C 1.722 178.367 176.600 0.075 0.000 0.991 262 E CA 1.667 58.137 56.400 0.117 0.000 0.799 262 E CB -0.049 29.708 29.700 0.094 0.000 0.748 262 E HN 0.245 nan 8.360 nan 0.000 0.449 263 D N -0.505 119.947 120.400 0.087 0.000 2.144 263 D HA -0.171 4.496 4.640 0.045 0.000 0.199 263 D C 1.608 177.915 176.300 0.013 0.000 0.984 263 D CA 0.829 54.870 54.000 0.067 0.000 0.834 263 D CB -0.404 40.456 40.800 0.100 0.000 0.955 263 D HN 0.276 nan 8.370 nan 0.000 0.465 264 Y N 1.199 121.403 120.300 -0.160 0.000 2.145 264 Y HA -0.118 4.459 4.550 0.044 0.000 0.286 264 Y C 2.157 177.881 175.900 -0.294 0.000 1.145 264 Y CA 1.241 59.087 58.100 -0.423 0.000 1.148 264 Y CB -0.357 37.856 38.460 -0.411 0.000 0.981 264 Y HN -0.077 nan 8.280 nan 0.000 0.507 265 L N -0.750 120.412 121.223 -0.101 0.000 2.093 265 L HA -0.203 4.164 4.340 0.045 0.000 0.208 265 L C 2.707 179.460 176.870 -0.196 0.000 1.085 265 L CA 1.055 55.807 54.840 -0.147 0.000 0.755 265 L CB -0.883 41.171 42.059 -0.009 0.000 0.904 265 L HN 0.321 nan 8.230 nan 0.000 0.435 266 A N -0.203 122.528 122.820 -0.148 0.000 1.898 266 A HA -0.225 4.122 4.320 0.045 0.000 0.216 266 A C 1.927 179.392 177.584 -0.197 0.000 1.181 266 A CA 1.881 53.841 52.037 -0.128 0.000 0.620 266 A CB -0.479 18.481 19.000 -0.066 0.000 0.819 266 A HN 0.320 nan 8.150 nan 0.000 0.442 267 D N 0.034 120.246 120.400 -0.313 0.000 2.117 267 D HA -0.114 4.553 4.640 0.045 0.000 0.197 267 D C 1.951 177.930 176.300 -0.534 0.000 0.987 267 D CA 0.864 54.574 54.000 -0.483 0.000 0.829 267 D CB -0.309 39.962 40.800 -0.882 0.000 0.961 267 D HN 0.417 nan 8.370 nan 0.000 0.460 268 L N 0.570 121.440 121.223 -0.588 0.000 2.046 268 L HA -0.173 4.194 4.340 0.045 0.000 0.208 268 L C 2.483 179.212 176.870 -0.235 0.000 1.077 268 L CA 1.101 55.681 54.840 -0.433 0.000 0.747 268 L CB -0.417 41.358 42.059 -0.474 0.000 0.896 268 L HN -0.005 nan 8.230 nan 0.000 0.432 269 A N -0.164 122.541 122.820 -0.192 0.000 1.940 269 A HA -0.251 4.096 4.320 0.045 0.000 0.219 269 A C 1.847 179.373 177.584 -0.095 0.000 1.176 269 A CA 2.069 54.035 52.037 -0.118 0.000 0.631 269 A CB -0.477 18.467 19.000 -0.093 0.000 0.814 269 A HN 0.383 nan 8.150 nan 0.000 0.446 270 D N 0.126 120.465 120.400 -0.102 0.000 2.084 270 D HA -0.095 4.572 4.640 0.045 0.000 0.196 270 D C 0.950 177.216 176.300 -0.056 0.000 0.985 270 D CA 1.526 55.488 54.000 -0.064 0.000 0.826 270 D CB -0.286 40.487 40.800 -0.045 0.000 0.978 270 D HN 0.422 nan 8.370 nan 0.000 0.456 271 D N -0.358 120.005 120.400 -0.061 0.000 2.379 271 D HA 0.018 4.685 4.640 0.045 0.000 0.208 271 D C 0.462 176.712 176.300 -0.083 0.000 1.065 271 D CA -0.272 53.702 54.000 -0.044 0.000 0.848 271 D CB 0.494 41.310 40.800 0.028 0.000 0.949 271 D HN 0.041 nan 8.370 nan 0.000 0.509 272 L N 3.711 124.872 121.223 -0.104 0.000 2.559 272 L HA 0.088 4.455 4.340 0.045 0.000 0.274 272 L C -1.659 175.150 176.870 -0.103 0.000 1.205 272 L CA -0.617 54.152 54.840 -0.119 0.000 0.907 272 L CB -0.421 41.576 42.059 -0.104 0.000 1.153 272 L HN -0.047 nan 8.230 nan 0.000 0.490 273 P HA 0.209 nan 4.420 nan 0.000 0.276 273 P C 0.019 177.288 177.300 -0.052 0.000 1.252 273 P CA -0.284 62.760 63.100 -0.093 0.000 0.802 273 P CB 0.475 32.097 31.700 -0.130 0.000 1.035 274 E N 0.097 120.285 120.200 -0.020 0.000 2.321 274 E HA -0.046 4.331 4.350 0.045 0.000 0.189 274 E C 0.959 177.578 176.600 0.032 0.000 1.125 274 E CA 0.066 56.469 56.400 0.005 0.000 1.005 274 E CB -1.307 28.397 29.700 0.006 0.000 1.140 274 E HN 0.569 nan 8.360 nan 0.000 0.457 275 N N -0.049 118.676 118.700 0.042 0.000 2.214 275 N HA 0.133 4.900 4.740 0.045 0.000 0.214 275 N C -0.141 175.487 175.510 0.196 0.000 1.132 275 N CA -0.192 52.925 53.050 0.111 0.000 0.856 275 N CB 0.166 38.730 38.487 0.128 0.000 1.020 275 N HN 0.327 nan 8.380 nan 0.000 0.509 276 L N 1.665 122.975 121.223 0.146 0.000 2.380 276 L HA 0.200 4.567 4.340 0.045 0.000 0.273 276 L C 0.658 177.624 176.870 0.160 0.000 1.138 276 L CA -0.371 54.590 54.840 0.201 0.000 0.832 276 L CB 1.251 43.387 42.059 0.128 0.000 1.124 276 L HN 0.028 nan 8.230 nan 0.000 0.454 277 S N 1.246 117.046 115.700 0.167 0.000 2.559 277 S HA 0.066 4.563 4.470 0.045 0.000 0.282 277 S C 0.164 174.811 174.600 0.078 0.000 1.336 277 S CA -0.285 57.970 58.200 0.091 0.000 1.037 277 S CB 0.473 63.707 63.200 0.056 0.000 0.853 277 S HN 0.597 nan 8.310 nan 0.000 0.523 278 T N 2.448 117.033 114.554 0.051 0.000 2.797 278 T HA 0.489 4.866 4.350 0.045 0.000 0.279 278 T C -0.453 174.261 174.700 0.023 0.000 0.991 278 T CA -0.533 61.600 62.100 0.056 0.000 0.979 278 T CB 1.029 69.930 68.868 0.056 0.000 0.943 278 T HN 0.328 nan 8.240 nan 0.000 0.444 279 V N 2.920 122.855 119.914 0.036 0.000 2.459 279 V HA 0.754 4.901 4.120 0.045 0.000 0.295 279 V C 0.326 176.481 176.094 0.103 0.000 1.029 279 V CA -0.782 61.512 62.300 -0.010 0.000 0.874 279 V CB 1.135 32.879 31.823 -0.132 0.000 0.985 279 V HN 1.043 nan 8.190 nan 0.000 0.438 280 Q N 2.564 122.417 119.800 0.089 0.000 2.293 280 Q HA 0.720 5.087 4.340 0.045 0.000 0.261 280 Q C 0.646 176.794 176.000 0.246 0.000 0.960 280 Q CA 0.170 56.069 55.803 0.161 0.000 0.882 280 Q CB 1.321 30.104 28.738 0.076 0.000 1.275 280 Q HN 2.134 nan 8.270 nan 0.000 0.445 281 G N 0.946 109.922 108.800 0.293 0.000 2.562 281 G HA2 -0.214 3.773 3.960 0.045 0.000 0.250 281 G HA3 -0.214 3.773 3.960 0.045 0.000 0.250 281 G C 0.156 175.272 174.900 0.359 0.000 1.269 281 G CA 0.058 45.320 45.100 0.270 0.000 0.919 281 G HN 1.703 nan 8.290 nan 0.000 0.574 282 E N -0.265 120.084 120.200 0.248 0.000 2.383 282 E HA 0.496 4.872 4.350 0.045 0.000 0.264 282 E C -0.140 176.508 176.600 0.079 0.000 1.050 282 E CA -0.399 56.130 56.400 0.215 0.000 0.896 282 E CB 1.054 30.897 29.700 0.238 0.000 0.982 282 E HN 0.551 nan 8.360 nan 0.000 0.424 283 I N 3.139 123.703 120.570 -0.010 0.000 2.405 283 I HA 0.113 4.309 4.170 0.045 0.000 0.280 283 I C 0.257 176.305 176.117 -0.114 0.000 1.027 283 I CA -0.436 60.728 61.300 -0.227 0.000 1.161 283 I CB 1.334 39.103 38.000 -0.384 0.000 1.300 283 I HN 0.750 nan 8.210 nan 0.000 0.463 284 T N -0.925 113.526 114.554 -0.173 0.000 3.231 284 T HA 0.151 4.528 4.350 0.045 0.000 0.292 284 T C 0.570 175.274 174.700 0.006 0.000 1.001 284 T CA -0.323 61.777 62.100 -0.000 0.000 0.920 284 T CB 0.153 69.034 68.868 0.021 0.000 1.140 284 T HN 0.419 nan 8.240 nan 0.000 0.525 285 S N 1.152 116.803 115.700 -0.082 0.000 3.748 285 S HA -0.210 4.287 4.470 0.045 0.000 0.329 285 S C 1.116 175.765 174.600 0.083 0.000 1.104 285 S CA 0.872 59.065 58.200 -0.011 0.000 0.954 285 S CB -1.851 61.388 63.200 0.066 0.000 0.910 285 S HN 0.718 nan 8.310 nan 0.000 0.494 286 Q N 0.921 120.684 119.800 -0.060 0.000 2.170 286 Q HA -0.038 4.329 4.340 0.045 0.000 0.203 286 Q C 1.140 177.290 176.000 0.249 0.000 0.976 286 Q CA 1.335 57.189 55.803 0.085 0.000 0.858 286 Q CB 0.010 28.719 28.738 -0.049 0.000 0.907 286 Q HN 0.741 nan 8.270 nan 0.000 0.433 287 E N 0.658 120.902 120.200 0.073 0.000 2.663 287 E HA 0.115 4.491 4.350 0.045 0.000 0.240 287 E C -0.497 175.917 176.600 -0.310 0.000 1.227 287 E CA -0.137 56.137 56.400 -0.211 0.000 1.528 287 E CB 0.322 29.682 29.700 -0.567 0.000 1.472 287 E HN 0.288 nan 8.360 nan 0.000 0.433 288 T N -3.224 111.345 114.554 0.026 0.000 2.724 288 T HA 0.122 4.499 4.350 0.045 0.000 0.274 288 T C 0.836 175.514 174.700 -0.036 0.000 0.984 288 T CA -0.681 61.409 62.100 -0.016 0.000 1.024 288 T CB 1.032 69.870 68.868 -0.050 0.000 1.320 288 T HN -0.018 nan 8.240 nan 0.000 0.555 289 D N -0.816 119.509 120.400 -0.126 0.000 2.312 289 D HA 0.181 4.848 4.640 0.045 0.000 0.211 289 D C 1.679 177.400 176.300 -0.966 0.000 0.964 289 D CA 1.035 54.871 54.000 -0.273 0.000 0.877 289 D CB -0.883 39.915 40.800 -0.003 0.000 0.924 289 D HN 1.355 nan 8.370 nan 0.000 0.515 290 G N -0.597 107.512 108.800 -1.152 0.000 2.157 290 G HA2 -0.305 3.682 3.960 0.045 0.000 0.248 290 G HA3 -0.305 3.682 3.960 0.045 0.000 0.248 290 G C 0.634 174.892 174.900 -1.070 0.000 0.979 290 G CA 0.210 44.150 45.100 -1.934 0.000 0.650 290 G HN 0.393 nan 8.290 nan 0.000 0.529 291 W N -1.132 119.744 121.300 -0.707 0.000 2.812 291 W HA 0.453 5.143 4.660 0.049 0.000 0.263 291 W C 1.257 177.239 176.519 -0.895 0.000 1.284 291 W CA 0.364 57.223 57.345 -0.811 0.000 1.430 291 W CB 0.301 29.118 29.460 -1.073 0.000 1.088 291 W HN 0.304 nan 8.180 nan 0.000 0.623 292 Y N -0.250 120.068 120.300 0.031 0.000 2.713 292 Y HA 0.135 4.712 4.550 0.045 0.000 0.269 292 Y C 1.981 177.862 175.900 -0.032 0.000 1.106 292 Y CA -0.117 57.978 58.100 -0.008 0.000 1.174 292 Y CB -0.788 37.648 38.460 -0.041 0.000 1.186 292 Y HN -0.135 nan 8.280 nan 0.000 0.555 293 T N -2.896 111.689 114.554 0.052 0.000 2.951 293 T HA -0.078 4.299 4.350 0.045 0.000 0.268 293 T C 1.173 175.946 174.700 0.122 0.000 1.073 293 T CA 0.831 62.994 62.100 0.104 0.000 1.134 293 T CB -0.353 68.599 68.868 0.138 0.000 0.884 293 T HN 0.441 nan 8.240 nan 0.000 0.479 294 L N -0.840 120.432 121.223 0.082 0.000 4.291 294 L HA -0.254 4.113 4.340 0.045 0.000 0.413 294 L C 1.871 178.862 176.870 0.201 0.000 1.162 294 L CA 0.116 55.008 54.840 0.087 0.000 0.961 294 L CB -2.441 39.481 42.059 -0.229 0.000 2.095 294 L HN 0.423 nan 8.230 nan 0.000 0.838 295 A N 0.010 122.933 122.820 0.171 0.000 1.972 295 A HA -0.154 4.193 4.320 0.045 0.000 0.219 295 A C 1.695 179.256 177.584 -0.038 0.000 1.169 295 A CA 2.111 54.209 52.037 0.102 0.000 0.635 295 A CB -0.470 18.528 19.000 -0.003 0.000 0.810 295 A HN 0.723 nan 8.150 nan 0.000 0.446 296 N N 0.032 118.747 118.700 0.024 0.000 2.609 296 N HA -0.091 4.676 4.740 0.045 0.000 0.190 296 N C 1.506 177.053 175.510 0.060 0.000 1.157 296 N CA 1.222 54.281 53.050 0.015 0.000 0.918 296 N CB -0.298 38.217 38.487 0.046 0.000 0.978 296 N HN 0.704 nan 8.380 nan 0.000 0.448 297 T N -1.870 112.769 114.554 0.141 0.000 2.778 297 T HA -0.171 4.206 4.350 0.045 0.000 0.269 297 T C 2.004 176.781 174.700 0.129 0.000 1.050 297 T CA 1.044 63.247 62.100 0.172 0.000 1.137 297 T CB -0.419 68.669 68.868 0.365 0.000 0.860 297 T HN 0.225 nan 8.240 nan 0.000 0.468 298 A N 1.924 124.794 122.820 0.083 0.000 2.024 298 A HA -0.024 4.323 4.320 0.045 0.000 0.220 298 A C 2.527 180.121 177.584 0.017 0.000 1.164 298 A CA 1.883 53.944 52.037 0.040 0.000 0.643 298 A CB -0.698 18.225 19.000 -0.128 0.000 0.806 298 A HN 0.776 nan 8.150 nan 0.000 0.451 299 S N -1.656 114.045 115.700 0.001 0.000 2.559 299 S HA 0.589 5.085 4.470 0.045 0.000 0.226 299 S C 0.744 175.347 174.600 0.005 0.000 1.000 299 S CA 0.311 58.513 58.200 0.003 0.000 0.948 299 S CB -0.282 62.913 63.200 -0.008 0.000 0.870 299 S HN 0.859 nan 8.310 nan 0.000 0.497 300 A N 2.597 125.420 122.820 0.005 0.000 2.524 300 A HA 0.465 4.812 4.320 0.045 0.000 0.250 300 A C 0.711 178.251 177.584 -0.074 0.000 1.078 300 A CA -0.345 51.682 52.037 -0.017 0.000 0.761 300 A CB -0.519 18.466 19.000 -0.025 0.000 1.012 300 A HN 0.566 nan 8.150 nan 0.000 0.500 301 R N 1.724 122.188 120.500 -0.059 0.000 3.059 301 R HA -0.196 4.171 4.340 0.045 0.000 0.251 301 R C 0.376 176.509 176.300 -0.279 0.000 0.886 301 R CA 0.651 56.642 56.100 -0.180 0.000 0.634 301 R CB -1.938 28.095 30.300 -0.444 0.000 1.282 301 R HN 0.790 nan 8.270 nan 0.000 0.487 302 I N 0.551 121.106 120.570 -0.025 0.000 2.335 302 I HA -0.365 3.832 4.170 0.045 0.000 0.251 302 I C 2.414 178.548 176.117 0.028 0.000 1.129 302 I CA 1.946 63.258 61.300 0.021 0.000 1.402 302 I CB -0.315 37.742 38.000 0.095 0.000 1.069 302 I HN 0.565 nan 8.210 nan 0.000 0.424 303 Y N 0.247 120.615 120.300 0.114 0.000 2.181 303 Y HA -0.253 4.325 4.550 0.045 0.000 0.284 303 Y C 2.141 178.069 175.900 0.047 0.000 1.179 303 Y CA 1.232 59.383 58.100 0.085 0.000 1.179 303 Y CB -1.212 37.295 38.460 0.078 0.000 0.973 303 Y HN 0.043 nan 8.280 nan 0.000 0.519 304 L N -0.042 120.866 121.223 -0.526 0.000 2.056 304 L HA -0.160 4.207 4.340 0.045 0.000 0.207 304 L C 2.438 179.232 176.870 -0.127 0.000 1.078 304 L CA 1.668 56.379 54.840 -0.214 0.000 0.749 304 L CB -0.457 41.472 42.059 -0.216 0.000 0.901 304 L HN 0.140 nan 8.230 nan 0.000 0.433 305 K N -0.128 120.216 120.400 -0.094 0.000 2.097 305 K HA -0.143 4.204 4.320 0.045 0.000 0.205 305 K C 2.139 178.697 176.600 -0.070 0.000 1.050 305 K CA 1.096 57.358 56.287 -0.042 0.000 0.938 305 K CB -0.198 32.305 32.500 0.004 0.000 0.718 305 K HN 0.278 nan 8.250 nan 0.000 0.442 306 Q N -0.269 119.519 119.800 -0.019 0.000 2.061 306 Q HA -0.132 4.234 4.340 0.045 0.000 0.204 306 Q C 2.179 178.144 176.000 -0.060 0.000 0.984 306 Q CA 1.639 57.475 55.803 0.056 0.000 0.846 306 Q CB -0.282 28.535 28.738 0.131 0.000 0.902 306 Q HN 0.378 nan 8.270 nan 0.000 0.421 307 A N 1.335 124.013 122.820 -0.238 0.000 1.908 307 A HA -0.264 4.083 4.320 0.045 0.000 0.218 307 A C 1.819 178.915 177.584 -0.813 0.000 1.181 307 A CA 1.898 53.623 52.037 -0.521 0.000 0.627 307 A CB -0.790 17.805 19.000 -0.675 0.000 0.818 307 A HN 0.408 nan 8.150 nan 0.000 0.445 308 N N -0.631 117.533 118.700 -0.893 0.000 2.166 308 N HA -0.112 4.654 4.740 0.045 0.000 0.186 308 N C 1.609 177.025 175.510 -0.157 0.000 1.019 308 N CA 2.191 54.940 53.050 -0.501 0.000 0.856 308 N CB -0.373 38.095 38.487 -0.032 0.000 0.993 308 N HN 0.394 nan 8.380 nan 0.000 0.426 309 T N -0.355 114.097 114.554 -0.170 0.000 2.777 309 T HA -0.080 4.296 4.350 0.045 0.000 0.266 309 T C 1.894 176.524 174.700 -0.118 0.000 1.040 309 T CA 0.988 62.971 62.100 -0.195 0.000 1.141 309 T CB -0.227 68.398 68.868 -0.405 0.000 0.868 309 T HN 0.214 nan 8.240 nan 0.000 0.444 310 R N 0.455 120.950 120.500 -0.007 0.000 2.083 310 R HA -0.084 4.283 4.340 0.045 0.000 0.237 310 R C 2.352 178.738 176.300 0.143 0.000 1.137 310 R CA 1.287 57.472 56.100 0.141 0.000 0.951 310 R CB -0.580 29.751 30.300 0.052 0.000 0.851 310 R HN 0.242 nan 8.270 nan 0.000 0.434 311 V N -0.408 119.549 119.914 0.072 0.000 2.453 311 V HA -0.161 3.986 4.120 0.045 0.000 0.247 311 V C 2.119 178.219 176.094 0.011 0.000 1.048 311 V CA 1.850 64.220 62.300 0.116 0.000 1.049 311 V CB -0.230 31.670 31.823 0.128 0.000 0.672 311 V HN 0.308 nan 8.190 nan 0.000 0.457 312 S N -0.155 115.557 115.700 0.020 0.000 2.356 312 S HA -0.150 4.347 4.470 0.045 0.000 0.223 312 S C 2.192 176.830 174.600 0.065 0.000 1.032 312 S CA 1.157 59.381 58.200 0.039 0.000 1.005 312 S CB -0.283 62.970 63.200 0.088 0.000 0.867 312 S HN 0.439 nan 8.310 nan 0.000 0.449 313 R N 1.118 121.657 120.500 0.064 0.000 2.096 313 R HA -0.037 4.330 4.340 0.045 0.000 0.235 313 R C 2.428 178.792 176.300 0.106 0.000 1.127 313 R CA 1.220 57.380 56.100 0.099 0.000 0.968 313 R CB -0.948 29.422 30.300 0.117 0.000 0.861 313 R HN 0.403 nan 8.270 nan 0.000 0.440 314 Q N 0.991 120.848 119.800 0.095 0.000 2.030 314 Q HA -0.072 4.295 4.340 0.045 0.000 0.204 314 Q C 2.112 178.109 176.000 -0.006 0.000 0.986 314 Q CA 1.614 57.446 55.803 0.049 0.000 0.843 314 Q CB -0.302 28.446 28.738 0.016 0.000 0.904 314 Q HN 0.334 nan 8.270 nan 0.000 0.420 315 L N -0.377 120.811 121.223 -0.059 0.000 2.023 315 L HA -0.102 4.264 4.340 0.045 0.000 0.205 315 L C 2.391 179.366 176.870 0.175 0.000 1.073 315 L CA 1.586 56.388 54.840 -0.063 0.000 0.745 315 L CB -0.480 41.292 42.059 -0.478 0.000 0.900 315 L HN 0.278 nan 8.230 nan 0.000 0.435 316 E N 0.377 120.727 120.200 0.249 0.000 2.106 316 E HA -0.161 4.216 4.350 0.045 0.000 0.192 316 E C 1.189 177.927 176.600 0.231 0.000 0.984 316 E CA 1.500 58.097 56.400 0.328 0.000 0.806 316 E CB -0.007 29.887 29.700 0.324 0.000 0.750 316 E HN 0.566 nan 8.360 nan 0.000 0.458 317 N N -1.203 117.598 118.700 0.169 0.000 2.171 317 N HA 0.229 4.996 4.740 0.045 0.000 0.212 317 N C 0.945 176.516 175.510 0.101 0.000 1.184 317 N CA 0.067 53.201 53.050 0.140 0.000 0.888 317 N CB 0.967 39.536 38.487 0.137 0.000 1.038 317 N HN 0.040 nan 8.380 nan 0.000 0.517 318 I N -1.203 119.416 120.570 0.082 0.000 3.623 318 I HA 0.068 4.265 4.170 0.045 0.000 0.253 318 I C 1.441 177.553 176.117 -0.008 0.000 1.144 318 I CA 0.428 61.748 61.300 0.033 0.000 1.461 318 I CB -0.219 37.802 38.000 0.035 0.000 1.575 318 I HN -0.095 nan 8.210 nan 0.000 0.445 319 T N 0.982 115.529 114.554 -0.013 0.000 2.622 319 T HA -0.169 4.208 4.350 0.045 0.000 0.266 319 T C 1.692 176.381 174.700 -0.018 0.000 1.047 319 T CA 1.823 63.890 62.100 -0.056 0.000 1.159 319 T CB -0.292 68.535 68.868 -0.068 0.000 0.863 319 T HN 0.289 nan 8.240 nan 0.000 0.422 320 E N 0.688 120.940 120.200 0.086 0.000 2.051 320 E HA -0.088 4.289 4.350 0.045 0.000 0.192 320 E C -0.569 176.154 176.600 0.206 0.000 0.991 320 E CA 1.148 57.652 56.400 0.173 0.000 0.799 320 E CB -0.837 29.031 29.700 0.279 0.000 0.748 320 E HN 0.395 nan 8.360 nan 0.000 0.449 321 P HA -0.157 nan 4.420 nan 0.000 0.216 321 P C 1.204 178.577 177.300 0.122 0.000 1.150 321 P CA 1.128 64.383 63.100 0.258 0.000 0.837 321 P CB 0.055 31.826 31.700 0.119 0.000 0.786 322 L N -1.222 119.994 121.223 -0.011 0.000 2.072 322 L HA -0.092 4.275 4.340 0.045 0.000 0.205 322 L C 2.477 179.299 176.870 -0.080 0.000 1.079 322 L CA 1.463 56.222 54.840 -0.135 0.000 0.752 322 L CB -1.172 40.716 42.059 -0.286 0.000 0.906 322 L HN -0.070 nan 8.230 nan 0.000 0.436 323 A N 0.037 122.825 122.820 -0.054 0.000 1.972 323 A HA -0.133 4.213 4.320 0.045 0.000 0.219 323 A C 2.510 180.227 177.584 0.221 0.000 1.169 323 A CA 1.575 53.588 52.037 -0.041 0.000 0.635 323 A CB -0.606 18.204 19.000 -0.317 0.000 0.810 323 A HN 0.396 nan 8.150 nan 0.000 0.446 324 A N -0.414 122.576 122.820 0.283 0.000 1.902 324 A HA -0.119 4.228 4.320 0.045 0.000 0.217 324 A C 2.255 179.910 177.584 0.118 0.000 1.181 324 A CA 1.815 53.976 52.037 0.206 0.000 0.623 324 A CB -0.498 18.524 19.000 0.038 0.000 0.818 324 A HN 0.541 nan 8.150 nan 0.000 0.443 325 M N -0.787 118.836 119.600 0.037 0.000 2.156 325 M HA -0.048 4.459 4.480 0.045 0.000 0.264 325 M C 2.521 178.899 176.300 0.130 0.000 1.067 325 M CA 1.242 56.510 55.300 -0.054 0.000 1.131 325 M CB -0.396 32.140 32.600 -0.106 0.000 1.368 325 M HN 0.439 nan 8.290 nan 0.000 0.416 326 A N -0.403 122.465 122.820 0.079 0.000 2.024 326 A HA -0.226 4.121 4.320 0.045 0.000 0.220 326 A C 1.980 179.635 177.584 0.118 0.000 1.164 326 A CA 1.278 53.343 52.037 0.047 0.000 0.643 326 A CB -1.148 17.830 19.000 -0.037 0.000 0.806 326 A HN 0.611 nan 8.150 nan 0.000 0.451 327 Y N 0.851 121.213 120.300 0.103 0.000 2.193 327 Y HA -0.279 4.298 4.550 0.045 0.000 0.285 327 Y C 2.193 178.173 175.900 0.134 0.000 1.166 327 Y CA 2.253 60.432 58.100 0.132 0.000 1.181 327 Y CB -0.275 38.288 38.460 0.171 0.000 0.976 327 Y HN 0.553 nan 8.280 nan 0.000 0.520 328 E N -0.829 119.526 120.200 0.258 0.000 2.219 328 E HA -0.192 4.185 4.350 0.045 0.000 0.198 328 E C 1.701 178.313 176.600 0.021 0.000 0.998 328 E CA 1.685 58.206 56.400 0.200 0.000 0.818 328 E CB -0.194 29.724 29.700 0.363 0.000 0.741 328 E HN 0.406 nan 8.360 nan 0.000 0.477 329 V N -0.393 119.511 119.914 -0.017 0.000 2.788 329 V HA -0.072 4.074 4.120 0.045 0.000 0.241 329 V C 2.304 178.336 176.094 -0.104 0.000 1.083 329 V CA 1.563 63.833 62.300 -0.050 0.000 1.103 329 V CB 0.580 32.381 31.823 -0.036 0.000 0.800 329 V HN 0.567 nan 8.190 nan 0.000 0.476 330 T N -4.006 110.467 114.554 -0.134 0.000 3.037 330 T HA 0.021 4.398 4.350 0.045 0.000 0.252 330 T C 1.062 175.632 174.700 -0.216 0.000 1.073 330 T CA 0.857 62.877 62.100 -0.133 0.000 1.091 330 T CB 0.293 69.113 68.868 -0.080 0.000 0.935 330 T HN 0.335 nan 8.240 nan 0.000 0.488 331 S N 0.128 115.543 115.700 -0.476 0.000 3.476 331 S HA -0.135 4.362 4.470 0.045 0.000 0.309 331 S C 0.194 174.563 174.600 -0.385 0.000 1.222 331 S CA 1.033 58.770 58.200 -0.772 0.000 0.922 331 S CB -2.333 60.661 63.200 -0.345 0.000 1.023 331 S HN 0.938 nan 8.310 nan 0.000 0.591 332 T N -0.244 114.245 114.554 -0.109 0.000 2.900 332 T HA 0.656 5.033 4.350 0.045 0.000 0.303 332 T C -1.894 173.060 174.700 0.423 0.000 1.142 332 T CA -0.471 61.776 62.100 0.246 0.000 1.007 332 T CB 1.620 70.553 68.868 0.109 0.000 1.156 332 T HN 0.321 nan 8.240 nan 0.000 0.490 333 Y N 4.438 124.859 120.300 0.202 0.000 2.441 333 Y HA 0.544 5.120 4.550 0.044 0.000 0.334 333 Y C -2.429 173.386 175.900 -0.141 0.000 1.061 333 Y CA -2.104 55.993 58.100 -0.004 0.000 1.032 333 Y CB 2.272 40.648 38.460 -0.140 0.000 1.266 333 Y HN 0.389 nan 8.280 nan 0.000 0.441 334 P HA 0.144 nan 4.420 nan 0.000 0.231 334 P C 0.118 177.322 177.300 -0.160 0.000 1.811 334 P CA 0.422 63.390 63.100 -0.219 0.000 1.051 334 P CB -0.018 31.553 31.700 -0.214 0.000 1.951 335 H N 0.911 120.068 119.070 0.145 0.000 2.293 335 H HA -0.109 4.474 4.556 0.045 0.000 0.300 335 H C 1.066 176.470 175.328 0.127 0.000 1.082 335 H CA 1.635 57.801 56.048 0.195 0.000 1.308 335 H CB -0.215 29.663 29.762 0.193 0.000 1.375 335 H HN 0.322 nan 8.280 nan 0.000 0.495 336 D N 0.953 121.482 120.400 0.214 0.000 2.097 336 D HA -0.127 4.540 4.640 0.045 0.000 0.195 336 D C 2.317 178.701 176.300 0.139 0.000 0.989 336 D CA 0.988 55.073 54.000 0.142 0.000 0.827 336 D CB -0.272 40.579 40.800 0.085 0.000 0.966 336 D HN 0.358 nan 8.370 nan 0.000 0.456 337 Q N 0.332 120.192 119.800 0.101 0.000 2.096 337 Q HA -0.060 4.307 4.340 0.045 0.000 0.204 337 Q C 2.474 178.581 176.000 0.178 0.000 0.982 337 Q CA 0.747 56.618 55.803 0.112 0.000 0.850 337 Q CB -0.314 28.461 28.738 0.061 0.000 0.901 337 Q HN 0.295 nan 8.270 nan 0.000 0.422 338 L N -0.049 121.262 121.223 0.147 0.000 2.093 338 L HA -0.159 4.207 4.340 0.045 0.000 0.208 338 L C 2.596 179.675 176.870 0.349 0.000 1.085 338 L CA 1.127 56.102 54.840 0.226 0.000 0.755 338 L CB -0.318 41.880 42.059 0.232 0.000 0.904 338 L HN 0.200 nan 8.230 nan 0.000 0.435 339 R N -0.712 119.955 120.500 0.278 0.000 2.081 339 R HA -0.251 4.116 4.340 0.045 0.000 0.235 339 R C 2.453 178.876 176.300 0.206 0.000 1.131 339 R CA 1.794 58.030 56.100 0.226 0.000 0.960 339 R CB -0.424 29.967 30.300 0.152 0.000 0.856 339 R HN 0.290 nan 8.270 nan 0.000 0.436 340 Y N 0.662 121.009 120.300 0.078 0.000 2.181 340 Y HA -0.153 4.424 4.550 0.045 0.000 0.288 340 Y C 2.094 178.011 175.900 0.029 0.000 1.146 340 Y CA 1.564 59.689 58.100 0.042 0.000 1.164 340 Y CB -0.432 38.045 38.460 0.028 0.000 0.982 340 Y HN 0.185 nan 8.280 nan 0.000 0.515 341 A N -0.482 122.361 122.820 0.038 0.000 1.877 341 A HA -0.214 4.133 4.320 0.045 0.000 0.216 341 A C 2.041 179.499 177.584 -0.211 0.000 1.186 341 A CA 1.729 53.684 52.037 -0.137 0.000 0.620 341 A CB -1.519 17.407 19.000 -0.125 0.000 0.822 341 A HN 0.736 nan 8.150 nan 0.000 0.443 342 W N 0.105 121.367 121.300 -0.063 0.000 2.381 342 W HA -0.033 4.653 4.660 0.044 0.000 0.301 342 W C 2.405 178.833 176.519 -0.151 0.000 1.205 342 W CA 1.361 58.661 57.345 -0.075 0.000 1.285 342 W CB 0.034 29.467 29.460 -0.044 0.000 1.133 342 W HN 0.205 nan 8.180 nan 0.000 0.521 343 K N -0.475 119.929 120.400 0.006 0.000 2.057 343 K HA -0.132 4.215 4.320 0.045 0.000 0.207 343 K C 1.817 178.385 176.600 -0.053 0.000 1.049 343 K CA 1.965 58.182 56.287 -0.117 0.000 0.931 343 K CB -0.808 31.600 32.500 -0.154 0.000 0.714 343 K HN 0.085 nan 8.250 nan 0.000 0.440 344 T N 2.372 116.805 114.554 -0.202 0.000 2.652 344 T HA -0.173 4.204 4.350 0.045 0.000 0.267 344 T C 1.800 176.372 174.700 -0.213 0.000 1.039 344 T CA 1.292 63.240 62.100 -0.253 0.000 1.153 344 T CB -0.326 68.305 68.868 -0.394 0.000 0.863 344 T HN 0.098 nan 8.240 nan 0.000 0.428 345 L N 0.649 121.748 121.223 -0.206 0.000 2.042 345 L HA 0.053 4.419 4.340 0.045 0.000 0.210 345 L C 2.226 178.846 176.870 -0.417 0.000 1.076 345 L CA 1.775 56.470 54.840 -0.242 0.000 0.749 345 L CB -0.594 41.320 42.059 -0.241 0.000 0.893 345 L HN 0.268 nan 8.230 nan 0.000 0.432 346 M N -1.625 117.842 119.600 -0.223 0.000 2.562 346 M HA -0.112 4.395 4.480 0.045 0.000 0.257 346 M C 1.972 178.250 176.300 -0.037 0.000 1.099 346 M CA 0.743 55.938 55.300 -0.175 0.000 1.099 346 M CB -0.103 32.649 32.600 0.254 0.000 1.427 346 M HN 0.347 nan 8.290 nan 0.000 0.489 347 Q N 0.344 120.111 119.800 -0.055 0.000 2.364 347 Q HA -0.126 4.241 4.340 0.045 0.000 0.209 347 Q C 1.045 176.924 176.000 -0.202 0.000 0.977 347 Q CA 0.856 56.581 55.803 -0.131 0.000 0.885 347 Q CB -0.045 28.588 28.738 -0.176 0.000 0.941 347 Q HN 0.456 nan 8.270 nan 0.000 0.464 348 N N -1.006 117.531 118.700 -0.271 0.000 2.336 348 N HA -0.002 4.765 4.740 0.045 0.000 0.189 348 N C 0.340 175.889 175.510 0.064 0.000 1.113 348 N CA 0.539 53.446 53.050 -0.238 0.000 0.858 348 N CB 0.246 38.383 38.487 -0.585 0.000 0.970 348 N HN 0.436 nan 8.380 nan 0.000 0.471 349 H N -0.934 118.147 119.070 0.018 0.000 2.563 349 H HA 0.160 4.744 4.556 0.046 0.000 0.264 349 H C -1.716 173.636 175.328 0.040 0.000 0.957 349 H CA -1.083 55.006 56.048 0.068 0.000 1.173 349 H CB -0.142 29.691 29.762 0.119 0.000 1.420 349 H HN 0.125 nan 8.280 nan 0.000 0.551 350 P HA -0.122 nan 4.420 nan 0.000 0.266 350 P C 0.696 177.969 177.300 -0.045 0.000 1.195 350 P CA 0.485 63.589 63.100 0.006 0.000 0.768 350 P CB 0.533 32.170 31.700 -0.106 0.000 0.838 351 H N 2.158 121.184 119.070 -0.073 0.000 2.319 351 H HA -0.181 4.403 4.556 0.045 0.000 0.297 351 H C 0.652 175.938 175.328 -0.070 0.000 1.097 351 H CA 1.795 57.751 56.048 -0.154 0.000 1.285 351 H CB -1.152 28.368 29.762 -0.403 0.000 1.368 351 H HN 0.390 nan 8.280 nan 0.000 0.495 352 D N 0.666 120.808 120.400 -0.431 0.000 2.309 352 D HA -0.056 4.611 4.640 0.045 0.000 0.212 352 D C 1.976 178.308 176.300 0.053 0.000 0.968 352 D CA 0.816 54.731 54.000 -0.142 0.000 0.882 352 D CB 0.110 40.708 40.800 -0.336 0.000 0.918 352 D HN 0.402 nan 8.370 nan 0.000 0.503 353 S N 0.548 116.254 115.700 0.010 0.000 2.315 353 S HA -0.044 4.453 4.470 0.045 0.000 0.211 353 S C 1.913 176.645 174.600 0.219 0.000 1.029 353 S CA -0.091 58.169 58.200 0.100 0.000 0.956 353 S CB -0.026 63.176 63.200 0.004 0.000 0.918 353 S HN 0.108 nan 8.310 nan 0.000 0.470 354 I N 1.682 122.355 120.570 0.171 0.000 2.361 354 I HA -0.121 4.076 4.170 0.045 0.000 0.251 354 I C 1.911 178.122 176.117 0.156 0.000 1.133 354 I CA 0.890 62.310 61.300 0.200 0.000 1.413 354 I CB -0.436 37.692 38.000 0.212 0.000 1.073 354 I HN 0.300 nan 8.210 nan 0.000 0.424 355 C N 1.424 120.823 119.300 0.164 0.000 2.422 355 C HA 0.153 4.640 4.460 0.045 0.000 0.286 355 C C 1.934 176.977 174.990 0.088 0.000 1.412 355 C CA 0.734 59.860 59.018 0.179 0.000 1.786 355 C CB -2.110 25.805 27.740 0.292 0.000 1.835 355 C HN 0.824 nan 8.230 nan 0.000 0.533 356 G N 0.149 108.988 108.800 0.065 0.000 2.198 356 G HA2 -0.289 3.697 3.960 0.045 0.000 0.260 356 G HA3 -0.289 3.697 3.960 0.045 0.000 0.260 356 G C 0.231 175.106 174.900 -0.041 0.000 1.025 356 G CA 0.485 45.440 45.100 -0.242 0.000 0.769 356 G HN 1.026 nan 8.290 nan 0.000 0.507 357 C N -0.652 118.738 119.300 0.150 0.000 2.422 357 C HA 0.837 5.324 4.460 0.045 0.000 0.301 357 C C 0.901 176.101 174.990 0.350 0.000 1.444 357 C CA -0.445 58.583 59.018 0.017 0.000 1.771 357 C CB -1.032 26.380 27.740 -0.547 0.000 2.834 357 C HN 0.421 nan 8.230 nan 0.000 0.545 358 S N 0.068 116.099 115.700 0.551 0.000 2.823 358 S HA 0.796 5.293 4.470 0.045 0.000 0.316 358 S C 0.230 174.966 174.600 0.228 0.000 1.116 358 S CA -0.238 58.166 58.200 0.340 0.000 0.911 358 S CB 1.448 64.668 63.200 0.034 0.000 1.276 358 S HN 0.816 nan 8.310 nan 0.000 0.565 359 V N 0.153 120.102 119.914 0.059 0.000 3.214 359 V HA 0.397 4.544 4.120 0.045 0.000 0.306 359 V C 0.666 176.834 176.094 0.123 0.000 1.078 359 V CA -0.238 62.111 62.300 0.081 0.000 1.077 359 V CB 0.161 31.998 31.823 0.024 0.000 1.121 359 V HN 0.734 nan 8.190 nan 0.000 0.468 360 D N 1.177 121.665 120.400 0.147 0.000 2.149 360 D HA -0.155 4.511 4.640 0.045 0.000 0.198 360 D C 2.365 178.747 176.300 0.137 0.000 0.990 360 D CA 2.122 56.230 54.000 0.180 0.000 0.839 360 D CB -0.252 40.628 40.800 0.133 0.000 0.948 360 D HN 0.912 nan 8.370 nan 0.000 0.460 361 S N -0.168 115.578 115.700 0.076 0.000 2.402 361 S HA -0.091 4.406 4.470 0.045 0.000 0.229 361 S C 2.233 176.854 174.600 0.035 0.000 1.021 361 S CA 0.671 58.907 58.200 0.061 0.000 0.974 361 S CB -0.606 62.624 63.200 0.049 0.000 0.800 361 S HN 0.090 nan 8.310 nan 0.000 0.484 362 V N 2.528 122.421 119.914 -0.035 0.000 2.287 362 V HA -0.199 3.948 4.120 0.045 0.000 0.248 362 V C 2.696 178.694 176.094 -0.159 0.000 1.053 362 V CA 2.119 64.336 62.300 -0.139 0.000 1.027 362 V CB -0.927 30.721 31.823 -0.293 0.000 0.646 362 V HN 0.639 nan 8.190 nan 0.000 0.447 363 H N -0.310 118.823 119.070 0.105 0.000 2.470 363 H HA 0.073 4.656 4.556 0.045 0.000 0.289 363 H C 2.489 177.913 175.328 0.159 0.000 1.033 363 H CA 0.850 56.976 56.048 0.130 0.000 1.331 363 H CB -0.046 29.820 29.762 0.172 0.000 1.414 363 H HN 0.410 nan 8.280 nan 0.000 0.545 364 R N 0.791 121.423 120.500 0.220 0.000 2.081 364 R HA -0.133 4.234 4.340 0.045 0.000 0.235 364 R C 2.255 178.621 176.300 0.109 0.000 1.131 364 R CA 1.292 57.488 56.100 0.161 0.000 0.960 364 R CB -0.033 30.335 30.300 0.113 0.000 0.856 364 R HN 0.424 nan 8.270 nan 0.000 0.436 365 E N 0.813 121.051 120.200 0.064 0.000 2.072 365 E HA -0.183 4.194 4.350 0.045 0.000 0.191 365 E C 2.014 178.593 176.600 -0.035 0.000 0.985 365 E CA 1.073 57.482 56.400 0.014 0.000 0.801 365 E CB 0.035 29.734 29.700 -0.001 0.000 0.750 365 E HN 0.219 nan 8.360 nan 0.000 0.452 366 M N -0.161 119.411 119.600 -0.046 0.000 2.082 366 M HA -0.243 4.264 4.480 0.045 0.000 0.258 366 M C 2.330 178.544 176.300 -0.143 0.000 1.069 366 M CA 1.410 56.605 55.300 -0.176 0.000 1.102 366 M CB -0.245 32.299 32.600 -0.092 0.000 1.336 366 M HN 0.268 nan 8.290 nan 0.000 0.404 367 M N -0.529 119.150 119.600 0.130 0.000 2.108 367 M HA -0.153 4.353 4.480 0.045 0.000 0.261 367 M C 2.179 178.580 176.300 0.168 0.000 1.066 367 M CA 1.828 57.291 55.300 0.272 0.000 1.107 367 M CB -1.686 31.076 32.600 0.271 0.000 1.356 367 M HN 0.286 nan 8.290 nan 0.000 0.406 368 T N 0.279 114.880 114.554 0.079 0.000 2.708 368 T HA -0.118 4.259 4.350 0.045 0.000 0.266 368 T C 1.972 176.684 174.700 0.020 0.000 1.037 368 T CA 1.190 63.321 62.100 0.052 0.000 1.146 368 T CB -0.162 68.724 68.868 0.029 0.000 0.865 368 T HN 0.389 nan 8.240 nan 0.000 0.435 369 R N -0.031 120.426 120.500 -0.071 0.000 2.096 369 R HA -0.037 4.329 4.340 0.045 0.000 0.235 369 R C 2.212 178.466 176.300 -0.076 0.000 1.127 369 R CA 1.206 57.219 56.100 -0.144 0.000 0.968 369 R CB -0.499 29.633 30.300 -0.281 0.000 0.861 369 R HN 0.326 nan 8.270 nan 0.000 0.440 370 F N 1.507 121.459 119.950 0.004 0.000 2.102 370 F HA -0.137 4.416 4.527 0.044 0.000 0.298 370 F C 2.302 178.131 175.800 0.048 0.000 1.105 370 F CA 1.189 59.200 58.000 0.018 0.000 1.239 370 F CB -0.532 38.490 39.000 0.037 0.000 0.991 370 F HN 0.040 nan 8.300 nan 0.000 0.474 371 E N -0.021 120.326 120.200 0.245 0.000 2.077 371 E HA -0.220 4.157 4.350 0.045 0.000 0.193 371 E C 2.170 178.879 176.600 0.181 0.000 0.989 371 E CA 1.288 57.796 56.400 0.179 0.000 0.800 371 E CB -0.119 29.653 29.700 0.120 0.000 0.746 371 E HN 0.372 nan 8.360 nan 0.000 0.452 372 K N 0.426 120.895 120.400 0.115 0.000 2.009 372 K HA -0.152 4.195 4.320 0.045 0.000 0.210 372 K C 2.202 178.841 176.600 0.066 0.000 1.049 372 K CA 1.252 57.587 56.287 0.080 0.000 0.929 372 K CB -0.194 32.318 32.500 0.020 0.000 0.714 372 K HN 0.047 nan 8.250 nan 0.000 0.440 373 A N 0.693 123.528 122.820 0.026 0.000 1.902 373 A HA -0.222 4.125 4.320 0.045 0.000 0.217 373 A C 2.092 179.693 177.584 0.030 0.000 1.181 373 A CA 1.481 53.500 52.037 -0.031 0.000 0.623 373 A CB -0.866 18.092 19.000 -0.071 0.000 0.818 373 A HN 0.462 nan 8.150 nan 0.000 0.443 374 Y N 0.764 121.073 120.300 0.015 0.000 2.128 374 Y HA -0.215 4.362 4.550 0.044 0.000 0.284 374 Y C 2.338 178.278 175.900 0.067 0.000 1.154 374 Y CA 2.258 60.371 58.100 0.023 0.000 1.149 374 Y CB -0.026 38.447 38.460 0.023 0.000 0.976 374 Y HN 0.332 nan 8.280 nan 0.000 0.505 375 E N -0.403 119.891 120.200 0.157 0.000 2.106 375 E HA -0.137 4.239 4.350 0.045 0.000 0.192 375 E C 2.447 179.097 176.600 0.082 0.000 0.984 375 E CA 1.258 57.738 56.400 0.134 0.000 0.806 375 E CB -0.501 29.316 29.700 0.195 0.000 0.750 375 E HN 0.434 nan 8.360 nan 0.000 0.458 376 V N 1.036 120.992 119.914 0.071 0.000 2.295 376 V HA -0.209 3.937 4.120 0.045 0.000 0.246 376 V C 2.448 178.566 176.094 0.041 0.000 1.049 376 V CA 2.091 64.446 62.300 0.091 0.000 1.024 376 V CB -1.125 30.779 31.823 0.135 0.000 0.648 376 V HN 0.328 nan 8.190 nan 0.000 0.447 377 G N -1.160 107.596 108.800 -0.072 0.000 2.418 377 G HA2 -0.343 3.644 3.960 0.045 0.000 0.217 377 G HA3 -0.343 3.644 3.960 0.045 0.000 0.217 377 G C 1.484 176.293 174.900 -0.152 0.000 1.158 377 G CA 1.305 46.322 45.100 -0.137 0.000 0.771 377 G HN 0.637 nan 8.290 nan 0.000 0.545 378 H N -0.934 117.926 119.070 -0.350 0.000 2.357 378 H HA -0.095 4.487 4.556 0.045 0.000 0.301 378 H C 2.084 177.325 175.328 -0.145 0.000 1.082 378 H CA 1.527 57.371 56.048 -0.341 0.000 1.342 378 H CB -0.415 29.049 29.762 -0.497 0.000 1.389 378 H HN 0.379 nan 8.280 nan 0.000 0.511 379 Y N 0.628 120.818 120.300 -0.184 0.000 2.128 379 Y HA -0.211 4.366 4.550 0.045 0.000 0.284 379 Y C 2.111 177.894 175.900 -0.196 0.000 1.154 379 Y CA 1.937 59.927 58.100 -0.184 0.000 1.149 379 Y CB -0.538 37.870 38.460 -0.085 0.000 0.976 379 Y HN 0.222 nan 8.280 nan 0.000 0.505 380 L N -0.109 120.976 121.223 -0.230 0.000 2.083 380 L HA -0.191 4.176 4.340 0.045 0.000 0.209 380 L C 2.809 179.463 176.870 -0.359 0.000 1.083 380 L CA 1.062 55.711 54.840 -0.319 0.000 0.752 380 L CB -1.003 40.969 42.059 -0.144 0.000 0.899 380 L HN 0.369 nan 8.230 nan 0.000 0.433 381 A N 0.200 122.833 122.820 -0.311 0.000 1.898 381 A HA -0.198 4.149 4.320 0.045 0.000 0.216 381 A C 2.343 179.715 177.584 -0.354 0.000 1.181 381 A CA 1.553 53.414 52.037 -0.293 0.000 0.620 381 A CB -0.309 18.558 19.000 -0.221 0.000 0.819 381 A HN 0.299 nan 8.150 nan 0.000 0.442 382 K N -0.568 119.575 120.400 -0.428 0.000 2.148 382 K HA -0.097 4.250 4.320 0.045 0.000 0.204 382 K C 1.934 178.310 176.600 -0.374 0.000 1.050 382 K CA 1.122 57.174 56.287 -0.392 0.000 0.942 382 K CB -0.057 32.186 32.500 -0.429 0.000 0.724 382 K HN 0.401 nan 8.250 nan 0.000 0.446 383 E N 0.747 120.656 120.200 -0.485 0.000 2.028 383 E HA -0.146 4.231 4.350 0.045 0.000 0.191 383 E C 2.101 178.518 176.600 -0.305 0.000 0.988 383 E CA 1.200 57.343 56.400 -0.430 0.000 0.799 383 E CB -0.234 29.118 29.700 -0.581 0.000 0.755 383 E HN 0.263 nan 8.360 nan 0.000 0.447 384 A N 1.628 124.263 122.820 -0.308 0.000 1.883 384 A HA -0.162 4.185 4.320 0.045 0.000 0.217 384 A C 2.444 179.850 177.584 -0.296 0.000 1.186 384 A CA 2.478 54.358 52.037 -0.261 0.000 0.624 384 A CB -0.755 18.093 19.000 -0.253 0.000 0.822 384 A HN 0.281 nan 8.150 nan 0.000 0.444 385 A N -0.246 122.351 122.820 -0.372 0.000 1.883 385 A HA -0.203 4.143 4.320 0.045 0.000 0.217 385 A C 2.090 179.573 177.584 -0.169 0.000 1.186 385 A CA 2.517 54.294 52.037 -0.433 0.000 0.624 385 A CB -0.455 18.299 19.000 -0.410 0.000 0.822 385 A HN 0.487 nan 8.150 nan 0.000 0.444 386 K N -0.124 120.180 120.400 -0.160 0.000 2.057 386 K HA -0.155 4.192 4.320 0.045 0.000 0.207 386 K C 2.147 178.682 176.600 -0.109 0.000 1.049 386 K CA 2.026 58.248 56.287 -0.107 0.000 0.931 386 K CB -0.402 32.019 32.500 -0.132 0.000 0.714 386 K HN 0.606 nan 8.250 nan 0.000 0.440 387 Q N -0.162 119.554 119.800 -0.140 0.000 2.084 387 Q HA -0.089 4.278 4.340 0.045 0.000 0.202 387 Q C 2.116 178.043 176.000 -0.122 0.000 0.978 387 Q CA 1.908 57.635 55.803 -0.126 0.000 0.844 387 Q CB -0.145 28.518 28.738 -0.124 0.000 0.898 387 Q HN 0.350 nan 8.270 nan 0.000 0.426 388 I N 0.253 120.738 120.570 -0.141 0.000 2.142 388 I HA -0.276 3.921 4.170 0.045 0.000 0.240 388 I C 2.361 178.372 176.117 -0.177 0.000 1.078 388 I CA 1.073 62.260 61.300 -0.187 0.000 1.343 388 I CB -0.412 37.438 38.000 -0.251 0.000 1.046 388 I HN 0.171 nan 8.210 nan 0.000 0.405 389 A N 0.120 122.894 122.820 -0.077 0.000 1.969 389 A HA -0.217 4.130 4.320 0.045 0.000 0.218 389 A C 1.831 179.434 177.584 0.031 0.000 1.169 389 A CA 1.852 53.869 52.037 -0.034 0.000 0.635 389 A CB -0.545 18.482 19.000 0.044 0.000 0.810 389 A HN 0.333 nan 8.150 nan 0.000 0.445 390 D N -0.362 120.009 120.400 -0.048 0.000 2.310 390 D HA 0.084 4.751 4.640 0.045 0.000 0.212 390 D C 1.587 177.728 176.300 -0.266 0.000 0.965 390 D CA 1.165 55.056 54.000 -0.181 0.000 0.879 390 D CB -0.005 40.684 40.800 -0.185 0.000 0.921 390 D HN 0.448 nan 8.370 nan 0.000 0.510 391 A N -0.337 122.420 122.820 -0.106 0.000 2.390 391 A HA 0.235 4.582 4.320 0.045 0.000 0.232 391 A C 0.858 178.461 177.584 0.032 0.000 1.233 391 A CA -0.328 51.670 52.037 -0.064 0.000 0.907 391 A CB 0.179 19.140 19.000 -0.066 0.000 0.967 391 A HN 0.064 nan 8.150 nan 0.000 0.512 392 I N 1.068 121.691 120.570 0.089 0.000 2.529 392 I HA 0.058 4.255 4.170 0.045 0.000 0.284 392 I C -0.188 176.049 176.117 0.199 0.000 1.082 392 I CA -0.434 60.944 61.300 0.130 0.000 1.406 392 I CB 0.863 38.907 38.000 0.074 0.000 1.405 392 I HN 0.074 nan 8.210 nan 0.000 0.548 393 D N 5.086 125.572 120.400 0.142 0.000 2.348 393 D HA -0.003 4.664 4.640 0.045 0.000 0.259 393 D C 0.815 177.149 176.300 0.057 0.000 1.296 393 D CA 0.009 54.071 54.000 0.103 0.000 0.931 393 D CB 0.619 41.457 40.800 0.063 0.000 1.067 393 D HN 0.621 nan 8.370 nan 0.000 0.503 394 T N 0.683 115.232 114.554 -0.007 0.000 3.214 394 T HA 0.220 4.597 4.350 0.045 0.000 0.264 394 T C 1.366 176.095 174.700 0.048 0.000 1.012 394 T CA -0.409 61.711 62.100 0.033 0.000 0.901 394 T CB 0.038 68.806 68.868 -0.165 0.000 1.070 394 T HN 0.236 nan 8.240 nan 0.000 0.561 395 R N 1.085 121.570 120.500 -0.026 0.000 2.236 395 R HA 0.063 4.430 4.340 0.045 0.000 0.208 395 R C 1.183 177.439 176.300 -0.073 0.000 1.036 395 R CA 0.766 56.850 56.100 -0.026 0.000 1.001 395 R CB -0.061 30.228 30.300 -0.018 0.000 0.896 395 R HN 0.376 nan 8.270 nan 0.000 0.464 396 D N 0.220 120.497 120.400 -0.205 0.000 2.309 396 D HA -0.106 4.561 4.640 0.045 0.000 0.212 396 D C -0.072 175.995 176.300 -0.387 0.000 0.968 396 D CA 1.036 54.834 54.000 -0.337 0.000 0.882 396 D CB 0.023 40.531 40.800 -0.486 0.000 0.918 396 D HN 0.041 nan 8.370 nan 0.000 0.503 397 F N 0.705 120.634 119.950 -0.036 0.000 2.385 397 F HA 0.323 4.877 4.527 0.045 0.000 0.336 397 F C -1.713 174.080 175.800 -0.011 0.000 1.100 397 F CA -2.748 55.239 58.000 -0.021 0.000 1.116 397 F CB 0.399 39.380 39.000 -0.031 0.000 1.166 397 F HN -0.308 nan 8.300 nan 0.000 0.511 398 P HA 0.073 nan 4.420 nan 0.000 0.270 398 P C 0.685 178.050 177.300 0.107 0.000 1.223 398 P CA -0.017 63.155 63.100 0.119 0.000 0.785 398 P CB 0.545 32.315 31.700 0.116 0.000 0.923 399 M N 1.199 120.838 119.600 0.065 0.000 2.296 399 M HA -0.096 4.411 4.480 0.045 0.000 0.265 399 M C 1.120 177.436 176.300 0.026 0.000 1.064 399 M CA 2.325 57.647 55.300 0.035 0.000 1.109 399 M CB -1.793 30.818 32.600 0.018 0.000 1.396 399 M HN 0.539 nan 8.290 nan 0.000 0.430 400 D N 0.354 120.791 120.400 0.062 0.000 2.344 400 D HA 0.151 4.818 4.640 0.045 0.000 0.242 400 D C 0.437 176.837 176.300 0.167 0.000 1.159 400 D CA 0.745 54.797 54.000 0.087 0.000 0.859 400 D CB -0.658 40.216 40.800 0.123 0.000 0.925 400 D HN 0.630 nan 8.370 nan 0.000 0.510 401 S N -1.182 114.599 115.700 0.135 0.000 2.677 401 S HA 0.527 5.024 4.470 0.045 0.000 0.304 401 S C -0.409 174.243 174.600 0.087 0.000 1.108 401 S CA -0.938 57.385 58.200 0.204 0.000 0.944 401 S CB 2.212 65.527 63.200 0.191 0.000 1.127 401 S HN -0.049 nan 8.310 nan 0.000 0.511 402 Q N 1.568 121.457 119.800 0.148 0.000 2.401 402 Q HA 0.472 4.839 4.340 0.045 0.000 0.260 402 Q C -2.766 173.251 176.000 0.028 0.000 1.034 402 Q CA -2.024 53.816 55.803 0.062 0.000 0.737 402 Q CB 1.649 30.466 28.738 0.133 0.000 1.227 402 Q HN 0.501 nan 8.270 nan 0.000 0.488 403 P HA 0.269 nan 4.420 nan 0.000 0.275 403 P C -0.881 176.389 177.300 -0.051 0.000 1.228 403 P CA -0.064 62.812 63.100 -0.372 0.000 0.786 403 P CB 0.365 31.804 31.700 -0.435 0.000 0.927 404 F N -0.568 119.232 119.950 -0.250 0.000 2.619 404 F HA 0.687 5.240 4.527 0.044 0.000 0.308 404 F C -1.693 174.036 175.800 -0.119 0.000 1.097 404 F CA -1.448 56.472 58.000 -0.132 0.000 0.953 404 F CB 0.903 39.853 39.000 -0.084 0.000 1.287 404 F HN -0.052 nan 8.300 nan 0.000 0.446 405 V N 3.721 123.632 119.914 -0.004 0.000 2.459 405 V HA 0.494 4.640 4.120 0.045 0.000 0.295 405 V C -0.253 175.745 176.094 -0.160 0.000 1.029 405 V CA -0.744 61.431 62.300 -0.207 0.000 0.874 405 V CB 1.586 33.178 31.823 -0.386 0.000 0.985 405 V HN 0.736 nan 8.190 nan 0.000 0.438 406 L N 5.081 126.195 121.223 -0.181 0.000 2.296 406 L HA 0.609 4.976 4.340 0.045 0.000 0.286 406 L C -0.949 175.828 176.870 -0.155 0.000 1.023 406 L CA -0.169 54.652 54.840 -0.032 0.000 0.812 406 L CB 1.186 43.295 42.059 0.084 0.000 1.223 406 L HN 0.458 nan 8.230 nan 0.000 0.421 407 F N 1.492 121.538 119.950 0.160 0.000 2.469 407 F HA 0.351 4.904 4.527 0.044 0.000 0.332 407 F C 0.358 176.228 175.800 0.117 0.000 1.103 407 F CA -0.688 57.416 58.000 0.173 0.000 0.979 407 F CB 1.496 40.579 39.000 0.138 0.000 1.137 407 F HN 0.409 nan 8.300 nan 0.000 0.463 408 N N 0.788 119.646 118.700 0.263 0.000 2.444 408 N HA 0.204 4.971 4.740 0.045 0.000 0.262 408 N C 0.159 175.734 175.510 0.108 0.000 0.974 408 N CA -0.434 52.706 53.050 0.150 0.000 0.933 408 N CB 1.158 39.690 38.487 0.075 0.000 1.137 408 N HN 0.658 nan 8.380 nan 0.000 0.498 409 T N -0.830 113.774 114.554 0.084 0.000 3.145 409 T HA 0.304 4.681 4.350 0.045 0.000 0.255 409 T C 0.251 174.928 174.700 -0.038 0.000 1.039 409 T CA -0.300 61.808 62.100 0.012 0.000 0.928 409 T CB -0.197 68.694 68.868 0.037 0.000 1.029 409 T HN 0.219 nan 8.240 nan 0.000 0.554 410 S N 0.355 116.042 115.700 -0.022 0.000 2.730 410 S HA 0.619 5.115 4.470 0.045 0.000 0.284 410 S C 1.516 176.040 174.600 -0.128 0.000 1.153 410 S CA -0.457 57.733 58.200 -0.016 0.000 0.995 410 S CB 1.213 64.454 63.200 0.069 0.000 1.058 410 S HN 0.430 nan 8.310 nan 0.000 0.552 411 G N -0.678 108.046 108.800 -0.126 0.000 2.920 411 G HA2 0.171 4.157 3.960 0.045 0.000 0.208 411 G HA3 0.171 4.157 3.960 0.045 0.000 0.208 411 G C -0.027 174.444 174.900 -0.716 0.000 1.159 411 G CA 0.445 45.339 45.100 -0.344 0.000 0.784 411 G HN 0.632 nan 8.290 nan 0.000 0.535 412 H N -1.488 117.301 119.070 -0.469 0.000 2.908 412 H HA 0.569 5.152 4.556 0.045 0.000 0.350 412 H C -0.133 174.908 175.328 -0.479 0.000 1.217 412 H CA -0.710 54.891 56.048 -0.746 0.000 1.168 412 H CB 1.084 29.749 29.762 -1.828 0.000 1.891 412 H HN 0.005 nan 8.280 nan 0.000 0.566 413 S N 0.732 116.266 115.700 -0.277 0.000 2.546 413 S HA -0.009 4.488 4.470 0.045 0.000 0.290 413 S C -0.008 174.632 174.600 0.068 0.000 1.290 413 S CA -0.199 57.956 58.200 -0.074 0.000 1.069 413 S CB -0.165 63.034 63.200 -0.002 0.000 0.846 413 S HN 0.518 nan 8.310 nan 0.000 0.495 414 K N 3.933 124.380 120.400 0.079 0.000 2.316 414 K HA 0.311 4.658 4.320 0.045 0.000 0.267 414 K C -1.028 175.642 176.600 0.116 0.000 1.025 414 K CA -0.362 56.007 56.287 0.136 0.000 0.896 414 K CB 0.748 33.316 32.500 0.112 0.000 1.124 414 K HN 0.586 nan 8.250 nan 0.000 0.451 415 T N 2.637 117.270 114.554 0.131 0.000 2.770 415 T HA 0.325 4.702 4.350 0.045 0.000 0.297 415 T C -0.885 173.863 174.700 0.080 0.000 0.997 415 T CA -0.527 61.632 62.100 0.099 0.000 0.949 415 T CB 0.947 69.876 68.868 0.101 0.000 0.941 415 T HN 0.708 nan 8.240 nan 0.000 0.457 416 S N 1.596 117.340 115.700 0.073 0.000 2.625 416 S HA 0.633 5.130 4.470 0.045 0.000 0.271 416 S C -1.053 173.582 174.600 0.057 0.000 1.161 416 S CA -0.878 57.358 58.200 0.059 0.000 0.820 416 S CB 1.133 64.369 63.200 0.060 0.000 1.137 416 S HN 0.292 nan 8.310 nan 0.000 0.470 417 V N 2.120 122.062 119.914 0.046 0.000 2.320 417 V HA 0.649 4.796 4.120 0.045 0.000 0.265 417 V C 0.885 177.004 176.094 0.040 0.000 1.048 417 V CA -0.140 62.186 62.300 0.043 0.000 0.865 417 V CB -0.041 31.802 31.823 0.033 0.000 1.043 417 V HN 1.108 nan 8.190 nan 0.000 0.474 418 A N 5.090 127.941 122.820 0.052 0.000 2.477 418 A HA 0.427 4.774 4.320 0.045 0.000 0.246 418 A C 0.344 177.946 177.584 0.029 0.000 1.078 418 A CA -0.241 51.827 52.037 0.051 0.000 0.770 418 A CB 0.162 19.207 19.000 0.075 0.000 1.011 418 A HN 0.714 nan 8.150 nan 0.000 0.494 419 E N 2.460 122.671 120.200 0.019 0.000 2.092 419 E HA 0.483 4.860 4.350 0.045 0.000 0.271 419 E C -0.947 175.645 176.600 -0.013 0.000 0.919 419 E CA 0.010 56.410 56.400 -0.001 0.000 0.760 419 E CB 1.160 30.858 29.700 -0.003 0.000 1.106 419 E HN 0.570 nan 8.360 nan 0.000 0.408 420 L N 1.062 122.260 121.223 -0.042 0.000 2.354 420 L HA 0.515 4.882 4.340 0.045 0.000 0.264 420 L C 0.096 176.903 176.870 -0.106 0.000 1.008 420 L CA -0.898 53.893 54.840 -0.081 0.000 0.819 420 L CB 2.157 44.132 42.059 -0.140 0.000 1.339 420 L HN 0.256 nan 8.230 nan 0.000 0.420 421 S N 2.456 118.088 115.700 -0.113 0.000 2.789 421 S HA 0.631 5.128 4.470 0.045 0.000 0.286 421 S C -0.952 173.564 174.600 -0.140 0.000 1.153 421 S CA -0.507 57.625 58.200 -0.113 0.000 1.084 421 S CB 0.389 63.552 63.200 -0.062 0.000 1.036 421 S HN 0.442 nan 8.310 nan 0.000 0.484 422 L N 3.449 124.557 121.223 -0.192 0.000 2.322 422 L HA 0.527 4.894 4.340 0.045 0.000 0.279 422 L C 0.320 177.134 176.870 -0.094 0.000 1.036 422 L CA -0.798 53.926 54.840 -0.193 0.000 0.807 422 L CB 1.876 43.740 42.059 -0.326 0.000 1.226 422 L HN 0.436 nan 8.230 nan 0.000 0.433 423 T N 1.864 116.390 114.554 -0.047 0.000 2.723 423 T HA 0.003 4.380 4.350 0.045 0.000 0.297 423 T C 0.555 175.286 174.700 0.052 0.000 0.925 423 T CA -0.113 61.991 62.100 0.007 0.000 1.030 423 T CB 0.595 69.457 68.868 -0.009 0.000 0.905 423 T HN 0.665 nan 8.240 nan 0.000 0.502 424 W N 4.511 125.754 121.300 -0.094 0.000 2.480 424 W HA 0.197 4.884 4.660 0.045 0.000 0.299 424 W C 0.228 176.716 176.519 -0.051 0.000 1.187 424 W CA 0.276 57.596 57.345 -0.043 0.000 1.347 424 W CB 0.296 29.763 29.460 0.012 0.000 1.121 424 W HN 0.369 nan 8.180 nan 0.000 0.533 425 K N 0.969 121.236 120.400 -0.221 0.000 2.508 425 K HA 0.283 4.630 4.320 0.045 0.000 0.260 425 K C -1.247 175.185 176.600 -0.281 0.000 0.949 425 K CA -0.639 55.382 56.287 -0.445 0.000 0.834 425 K CB 2.697 34.886 32.500 -0.517 0.000 1.365 425 K HN -0.324 nan 8.250 nan 0.000 0.437 426 K N 2.514 122.646 120.400 -0.445 0.000 2.394 426 K HA 0.278 4.625 4.320 0.045 0.000 0.260 426 K C -1.326 175.016 176.600 -0.429 0.000 0.967 426 K CA -0.562 55.429 56.287 -0.494 0.000 0.855 426 K CB 1.190 33.094 32.500 -0.994 0.000 1.101 426 K HN 0.410 nan 8.250 nan 0.000 0.433 427 Y N 2.346 122.607 120.300 -0.064 0.000 2.700 427 Y HA 0.145 4.722 4.550 0.045 0.000 0.333 427 Y C 0.217 176.216 175.900 0.166 0.000 1.036 427 Y CA -0.623 57.535 58.100 0.096 0.000 1.287 427 Y CB 0.105 38.689 38.460 0.206 0.000 1.132 427 Y HN 0.542 nan 8.280 nan 0.000 0.510 428 H N 1.485 120.700 119.070 0.242 0.000 2.790 428 H HA -0.005 4.578 4.556 0.045 0.000 0.358 428 H C 0.508 176.074 175.328 0.396 0.000 1.103 428 H CA 0.240 56.434 56.048 0.242 0.000 1.426 428 H CB 0.654 30.477 29.762 0.102 0.000 1.424 428 H HN 0.523 nan 8.280 nan 0.000 0.599 429 F N 1.148 121.235 119.950 0.229 0.000 2.186 429 F HA -0.045 4.509 4.527 0.045 0.000 0.299 429 F C 2.182 178.069 175.800 0.146 0.000 1.090 429 F CA 1.257 59.351 58.000 0.156 0.000 1.307 429 F CB -1.050 38.009 39.000 0.098 0.000 1.019 429 F HN 0.881 nan 8.300 nan 0.000 0.489 430 G N -0.195 108.814 108.800 0.348 0.000 2.651 430 G HA2 -0.384 3.603 3.960 0.045 0.000 0.315 430 G HA3 -0.384 3.603 3.960 0.045 0.000 0.315 430 G C 0.787 175.782 174.900 0.158 0.000 1.258 430 G CA 1.455 46.676 45.100 0.202 0.000 1.002 430 G HN 0.724 nan 8.290 nan 0.000 0.551 431 Q N -0.024 119.826 119.800 0.083 0.000 2.175 431 Q HA 0.591 4.958 4.340 0.045 0.000 0.225 431 Q C 0.988 176.940 176.000 -0.080 0.000 0.837 431 Q CA 1.127 56.936 55.803 0.011 0.000 1.032 431 Q CB 0.051 28.785 28.738 -0.007 0.000 1.137 431 Q HN 0.901 nan 8.270 nan 0.000 0.483 432 R N -1.089 119.384 120.500 -0.044 0.000 2.782 432 R HA 0.744 5.111 4.340 0.045 0.000 0.258 432 R C -0.888 175.309 176.300 -0.171 0.000 1.055 432 R CA -1.012 55.018 56.100 -0.117 0.000 1.065 432 R CB 0.934 31.255 30.300 0.035 0.000 1.172 432 R HN 0.292 nan 8.270 nan 0.000 0.510 433 F N 1.953 121.903 119.950 0.000 0.000 2.543 433 F HA 0.136 4.690 4.527 0.045 0.000 0.375 433 F C -1.249 174.501 175.800 -0.084 0.000 1.075 433 F CA -1.749 56.224 58.000 -0.044 0.000 1.225 433 F CB 0.335 39.324 39.000 -0.018 0.000 1.099 433 F HN 0.360 nan 8.300 nan 0.000 0.561 434 P HA -0.258 nan 4.420 nan 0.000 0.216 434 P C 1.367 178.782 177.300 0.192 0.000 1.154 434 P CA 2.192 65.187 63.100 -0.174 0.000 0.865 434 P CB 0.014 31.500 31.700 -0.357 0.000 0.789 435 K N 0.126 120.599 120.400 0.122 0.000 2.103 435 K HA -0.199 4.148 4.320 0.045 0.000 0.207 435 K C 1.829 178.515 176.600 0.143 0.000 1.048 435 K CA 1.665 58.002 56.287 0.084 0.000 0.930 435 K CB -0.792 31.701 32.500 -0.011 0.000 0.716 435 K HN 0.135 nan 8.250 nan 0.000 0.444 436 E N 0.915 121.218 120.200 0.171 0.000 2.072 436 E HA -0.115 4.261 4.350 0.045 0.000 0.191 436 E C 2.069 178.776 176.600 0.179 0.000 0.985 436 E CA 1.290 57.788 56.400 0.164 0.000 0.801 436 E CB 0.031 29.843 29.700 0.187 0.000 0.750 436 E HN 0.147 nan 8.360 nan 0.000 0.452 437 V N 0.435 120.496 119.914 0.245 0.000 2.358 437 V HA -0.251 3.896 4.120 0.045 0.000 0.246 437 V C 1.932 178.185 176.094 0.265 0.000 1.047 437 V CA 1.638 64.127 62.300 0.315 0.000 1.035 437 V CB -0.536 31.556 31.823 0.449 0.000 0.658 437 V HN 0.307 nan 8.190 nan 0.000 0.452 438 Y N 0.703 121.072 120.300 0.115 0.000 2.145 438 Y HA -0.294 4.282 4.550 0.045 0.000 0.286 438 Y C 2.841 178.632 175.900 -0.182 0.000 1.145 438 Y CA 2.336 60.284 58.100 -0.254 0.000 1.148 438 Y CB -0.137 38.026 38.460 -0.495 0.000 0.981 438 Y HN 0.228 nan 8.280 nan 0.000 0.507 439 Q N 0.187 120.042 119.800 0.091 0.000 2.135 439 Q HA -0.269 4.098 4.340 0.045 0.000 0.204 439 Q C 2.023 177.991 176.000 -0.053 0.000 0.981 439 Q CA 2.022 57.845 55.803 0.034 0.000 0.856 439 Q CB -0.146 28.631 28.738 0.065 0.000 0.902 439 Q HN 0.625 nan 8.270 nan 0.000 0.425 440 E N -0.277 119.884 120.200 -0.067 0.000 2.058 440 E HA -0.211 4.165 4.350 0.045 0.000 0.194 440 E C 1.863 178.249 176.600 -0.357 0.000 0.997 440 E CA 1.102 57.428 56.400 -0.123 0.000 0.801 440 E CB -0.121 29.547 29.700 -0.052 0.000 0.746 440 E HN 0.476 nan 8.360 nan 0.000 0.450 441 A N 0.841 123.274 122.820 -0.645 0.000 1.933 441 A HA -0.243 4.104 4.320 0.045 0.000 0.218 441 A C 2.000 179.408 177.584 -0.294 0.000 1.175 441 A CA 1.329 52.919 52.037 -0.744 0.000 0.628 441 A CB -0.379 18.199 19.000 -0.703 0.000 0.814 441 A HN 0.206 nan 8.150 nan 0.000 0.444 442 Q N -0.620 119.012 119.800 -0.281 0.000 2.119 442 Q HA -0.192 4.175 4.340 0.045 0.000 0.201 442 Q C 1.945 177.927 176.000 -0.031 0.000 0.972 442 Q CA 1.598 57.318 55.803 -0.138 0.000 0.847 442 Q CB -0.158 28.520 28.738 -0.101 0.000 0.903 442 Q HN 0.776 nan 8.270 nan 0.000 0.433 443 E N -0.168 120.022 120.200 -0.017 0.000 2.072 443 E HA -0.204 4.173 4.350 0.045 0.000 0.191 443 E C 1.662 178.307 176.600 0.075 0.000 0.985 443 E CA 0.850 57.268 56.400 0.029 0.000 0.801 443 E CB -0.136 29.587 29.700 0.039 0.000 0.750 443 E HN 0.336 nan 8.360 nan 0.000 0.452 444 Y N 1.397 121.700 120.300 0.005 0.000 2.128 444 Y HA -0.248 4.329 4.550 0.045 0.000 0.284 444 Y C 1.918 177.867 175.900 0.082 0.000 1.154 444 Y CA 1.557 59.712 58.100 0.092 0.000 1.149 444 Y CB -0.105 38.473 38.460 0.196 0.000 0.976 444 Y HN -0.037 nan 8.280 nan 0.000 0.505 445 L N -0.683 120.644 121.223 0.172 0.000 2.141 445 L HA -0.157 4.210 4.340 0.045 0.000 0.209 445 L C 2.720 179.584 176.870 -0.009 0.000 1.094 445 L CA 0.898 55.790 54.840 0.087 0.000 0.763 445 L CB -0.838 41.292 42.059 0.118 0.000 0.908 445 L HN 0.330 nan 8.230 nan 0.000 0.437 446 A N 0.003 122.817 122.820 -0.009 0.000 1.930 446 A HA -0.160 4.187 4.320 0.045 0.000 0.217 446 A C 2.390 179.945 177.584 -0.050 0.000 1.175 446 A CA 1.201 53.225 52.037 -0.021 0.000 0.627 446 A CB -0.357 18.639 19.000 -0.007 0.000 0.815 446 A HN 0.291 nan 8.150 nan 0.000 0.443 447 R N -1.428 119.024 120.500 -0.079 0.000 2.153 447 R HA 0.059 4.426 4.340 0.045 0.000 0.218 447 R C 0.098 176.301 176.300 -0.162 0.000 1.072 447 R CA -0.072 55.964 56.100 -0.106 0.000 0.990 447 R CB -0.493 29.743 30.300 -0.106 0.000 0.889 447 R HN 0.432 nan 8.270 nan 0.000 0.452 448 L N 1.690 122.775 121.223 -0.229 0.000 2.601 448 L HA -0.092 4.275 4.340 0.045 0.000 0.277 448 L C 0.860 177.628 176.870 -0.171 0.000 1.219 448 L CA 0.814 55.496 54.840 -0.264 0.000 0.915 448 L CB 1.001 42.910 42.059 -0.250 0.000 1.160 448 L HN 0.055 nan 8.230 nan 0.000 0.494 449 S N 1.774 117.372 115.700 -0.171 0.000 2.589 449 S HA 0.257 4.754 4.470 0.045 0.000 0.235 449 S C 0.583 175.098 174.600 -0.141 0.000 1.051 449 S CA -0.475 57.650 58.200 -0.125 0.000 0.978 449 S CB 0.051 63.195 63.200 -0.094 0.000 0.929 449 S HN 0.724 nan 8.310 nan 0.000 0.523 450 Q N 1.347 121.027 119.800 -0.200 0.000 2.199 450 Q HA 0.620 4.986 4.340 0.045 0.000 0.232 450 Q C -0.760 175.061 176.000 -0.298 0.000 0.969 450 Q CA -0.417 55.251 55.803 -0.225 0.000 0.925 450 Q CB 1.157 29.751 28.738 -0.239 0.000 1.198 450 Q HN 0.186 nan 8.270 nan 0.000 0.494 451 S N 0.222 115.767 115.700 -0.257 0.000 2.565 451 S HA 0.468 4.965 4.470 0.045 0.000 0.290 451 S C -0.965 173.449 174.600 -0.309 0.000 1.150 451 S CA -0.606 57.462 58.200 -0.221 0.000 1.058 451 S CB 0.419 63.565 63.200 -0.090 0.000 1.032 451 S HN 0.269 nan 8.310 nan 0.000 0.510 452 F N 2.147 122.005 119.950 -0.154 0.000 2.399 452 F HA 0.392 4.946 4.527 0.045 0.000 0.342 452 F C 0.968 176.713 175.800 -0.091 0.000 1.106 452 F CA 0.117 58.007 58.000 -0.183 0.000 1.196 452 F CB 0.697 39.564 39.000 -0.220 0.000 1.163 452 F HN 0.441 nan 8.300 nan 0.000 0.547 453 Q N 2.381 122.270 119.800 0.148 0.000 2.456 453 Q HA 0.543 4.910 4.340 0.045 0.000 0.284 453 Q C -1.520 174.571 176.000 0.151 0.000 1.061 453 Q CA -1.009 54.862 55.803 0.113 0.000 0.799 453 Q CB 3.051 31.832 28.738 0.072 0.000 1.445 453 Q HN 0.306 nan 8.270 nan 0.000 0.411 454 I N 2.897 123.554 120.570 0.146 0.000 2.377 454 I HA 0.490 4.687 4.170 0.045 0.000 0.293 454 I C -0.076 176.130 176.117 0.148 0.000 0.987 454 I CA -0.554 60.859 61.300 0.189 0.000 1.185 454 I CB 0.854 38.985 38.000 0.219 0.000 1.341 454 I HN 0.605 nan 8.210 nan 0.000 0.455 455 I N 2.413 123.075 120.570 0.152 0.000 2.892 455 I HA 0.678 4.874 4.170 0.045 0.000 0.306 455 I C -0.526 175.705 176.117 0.190 0.000 1.078 455 I CA -0.845 60.547 61.300 0.154 0.000 1.032 455 I CB 2.196 40.304 38.000 0.180 0.000 1.229 455 I HN 0.461 nan 8.210 nan 0.000 0.435 456 D N 1.223 121.725 120.400 0.171 0.000 2.539 456 D HA 0.224 4.891 4.640 0.045 0.000 0.276 456 D C 1.206 177.580 176.300 0.125 0.000 1.206 456 D CA 0.092 54.199 54.000 0.178 0.000 1.081 456 D CB 0.231 41.071 40.800 0.067 0.000 1.142 456 D HN 0.779 nan 8.370 nan 0.000 0.595 457 T N -2.481 112.015 114.554 -0.098 0.000 2.759 457 T HA -0.200 4.177 4.350 0.045 0.000 0.269 457 T C 1.655 176.180 174.700 -0.291 0.000 1.042 457 T CA 1.717 63.543 62.100 -0.456 0.000 1.140 457 T CB -0.890 67.776 68.868 -0.336 0.000 0.864 457 T HN 0.470 nan 8.240 nan 0.000 0.455 458 S N 0.632 116.255 115.700 -0.129 0.000 2.650 458 S HA 0.438 4.934 4.470 0.045 0.000 0.219 458 S C 1.784 176.362 174.600 -0.036 0.000 0.960 458 S CA 0.188 58.341 58.200 -0.079 0.000 0.925 458 S CB -0.709 62.462 63.200 -0.049 0.000 0.775 458 S HN 1.256 nan 8.310 nan 0.000 0.525 459 G N 0.740 109.534 108.800 -0.009 0.000 2.143 459 G HA2 -0.299 3.688 3.960 0.045 0.000 0.248 459 G HA3 -0.299 3.688 3.960 0.045 0.000 0.248 459 G C -0.210 174.722 174.900 0.054 0.000 0.991 459 G CA 0.295 45.423 45.100 0.047 0.000 0.689 459 G HN 0.708 nan 8.290 nan 0.000 0.522 460 Q N 0.311 120.138 119.800 0.045 0.000 2.256 460 Q HA 0.530 4.897 4.340 0.045 0.000 0.254 460 Q C 0.448 176.483 176.000 0.059 0.000 0.916 460 Q CA -0.637 55.191 55.803 0.042 0.000 0.932 460 Q CB 1.289 30.043 28.738 0.026 0.000 1.207 460 Q HN 0.189 nan 8.270 nan 0.000 0.426 461 V N 4.745 124.692 119.914 0.055 0.000 2.637 461 V HA 0.114 4.261 4.120 0.045 0.000 0.296 461 V C 0.378 176.506 176.094 0.057 0.000 1.046 461 V CA 0.177 62.515 62.300 0.062 0.000 1.066 461 V CB 0.851 32.706 31.823 0.052 0.000 0.968 461 V HN 0.738 nan 8.190 nan 0.000 0.483 462 R N 6.401 126.942 120.500 0.068 0.000 2.205 462 R HA 0.244 4.611 4.340 0.045 0.000 0.342 462 R C -1.504 174.830 176.300 0.056 0.000 1.058 462 R CA -1.396 54.741 56.100 0.062 0.000 0.904 462 R CB 0.978 31.323 30.300 0.076 0.000 1.089 462 R HN 0.583 nan 8.270 nan 0.000 0.471 463 P HA -0.085 nan 4.420 nan 0.000 0.225 463 P C -0.131 177.191 177.300 0.037 0.000 1.156 463 P CA 0.932 64.055 63.100 0.037 0.000 0.787 463 P CB 0.494 32.212 31.700 0.029 0.000 0.802 464 E N 0.579 120.803 120.200 0.041 0.000 2.358 464 E HA 0.155 4.531 4.350 0.045 0.000 0.195 464 E C 1.134 177.759 176.600 0.043 0.000 1.010 464 E CA 0.121 56.545 56.400 0.039 0.000 0.856 464 E CB -0.908 28.816 29.700 0.040 0.000 0.795 464 E HN 0.191 nan 8.360 nan 0.000 0.504 465 A N 1.745 124.595 122.820 0.051 0.000 2.511 465 A HA 0.052 4.399 4.320 0.045 0.000 0.242 465 A C 0.046 177.654 177.584 0.040 0.000 1.069 465 A CA 0.073 52.141 52.037 0.052 0.000 0.763 465 A CB 0.058 19.100 19.000 0.070 0.000 1.001 465 A HN 0.176 nan 8.150 nan 0.000 0.498 466 E N 2.859 123.077 120.200 0.030 0.000 2.185 466 E HA 0.399 4.776 4.350 0.045 0.000 0.261 466 E C -0.996 175.610 176.600 0.012 0.000 0.879 466 E CA -0.769 55.644 56.400 0.023 0.000 0.756 466 E CB 0.691 30.403 29.700 0.020 0.000 1.152 466 E HN 0.538 nan 8.360 nan 0.000 0.416 467 I N 6.469 127.048 120.570 0.016 0.000 2.452 467 I HA 0.017 4.214 4.170 0.045 0.000 0.287 467 I C 1.189 177.306 176.117 0.000 0.000 1.079 467 I CA 0.267 61.569 61.300 0.003 0.000 1.387 467 I CB 0.631 38.653 38.000 0.037 0.000 1.404 467 I HN 0.795 nan 8.210 nan 0.000 0.522 468 L N 5.284 126.496 121.223 -0.017 0.000 2.298 468 L HA 0.341 4.708 4.340 0.045 0.000 0.209 468 L C 1.031 177.896 176.870 -0.008 0.000 1.084 468 L CA 0.280 55.113 54.840 -0.011 0.000 0.816 468 L CB 0.045 42.094 42.059 -0.016 0.000 0.967 468 L HN 0.834 nan 8.230 nan 0.000 0.460 469 G N -0.572 108.215 108.800 -0.021 0.000 2.340 469 G HA2 0.334 4.321 3.960 0.045 0.000 0.298 469 G HA3 0.334 4.321 3.960 0.045 0.000 0.298 469 G C -1.161 173.719 174.900 -0.033 0.000 1.498 469 G CA -0.166 44.928 45.100 -0.009 0.000 0.847 469 G HN -0.088 nan 8.290 nan 0.000 0.594 470 T N -1.876 112.677 114.554 -0.002 0.000 2.912 470 T HA 0.917 5.294 4.350 0.045 0.000 0.288 470 T C 0.216 174.931 174.700 0.025 0.000 1.030 470 T CA 0.292 62.389 62.100 -0.004 0.000 1.020 470 T CB 1.803 70.710 68.868 0.065 0.000 1.056 470 T HN 2.164 nan 8.240 nan 0.000 0.480 471 S N 0.853 116.572 115.700 0.032 0.000 2.643 471 S HA 0.695 5.192 4.470 0.045 0.000 0.270 471 S C -1.333 173.297 174.600 0.051 0.000 1.166 471 S CA -1.155 57.069 58.200 0.041 0.000 0.815 471 S CB 0.684 63.908 63.200 0.040 0.000 1.139 471 S HN 0.832 nan 8.310 nan 0.000 0.472 472 I N 1.113 121.702 120.570 0.032 0.000 2.404 472 I HA 0.747 4.943 4.170 0.045 0.000 0.293 472 I C -0.116 176.084 176.117 0.139 0.000 0.992 472 I CA -0.706 60.604 61.300 0.017 0.000 1.149 472 I CB 1.666 39.505 38.000 -0.269 0.000 1.315 472 I HN 0.962 nan 8.210 nan 0.000 0.446 473 A N 5.730 128.688 122.820 0.230 0.000 2.459 473 A HA 0.541 4.888 4.320 0.045 0.000 0.296 473 A C -0.947 176.886 177.584 0.415 0.000 1.039 473 A CA -0.503 51.716 52.037 0.303 0.000 0.698 473 A CB 0.977 20.082 19.000 0.175 0.000 1.261 473 A HN 0.598 nan 8.150 nan 0.000 0.405 474 F N 2.568 122.767 119.950 0.415 0.000 2.608 474 F HA 0.425 4.979 4.527 0.045 0.000 0.380 474 F C 0.080 175.858 175.800 -0.036 0.000 1.083 474 F CA 1.178 59.313 58.000 0.224 0.000 1.266 474 F CB 0.333 39.480 39.000 0.245 0.000 1.076 474 F HN 0.670 nan 8.300 nan 0.000 0.574 475 D N 3.526 123.131 120.400 -1.326 0.000 2.677 475 D HA 0.428 5.094 4.640 0.045 0.000 0.298 475 D C -1.742 173.484 176.300 -1.791 0.000 1.250 475 D CA -0.154 53.067 54.000 -1.298 0.000 0.888 475 D CB 1.743 42.080 40.800 -0.772 0.000 1.397 475 D HN 0.463 nan 8.370 nan 0.000 0.461 476 Y N -1.463 118.090 120.300 -1.244 0.000 2.604 476 Y HA 0.573 5.150 4.550 0.045 0.000 0.331 476 Y C -1.756 174.001 175.900 -0.238 0.000 1.158 476 Y CA -0.988 56.629 58.100 -0.805 0.000 1.056 476 Y CB 1.129 39.222 38.460 -0.612 0.000 1.330 476 Y HN -0.055 nan 8.280 nan 0.000 0.457 477 D N 2.811 123.253 120.400 0.071 0.000 2.252 477 D HA 0.519 5.186 4.640 0.045 0.000 0.245 477 D C -0.894 175.447 176.300 0.067 0.000 1.009 477 D CA -0.391 53.627 54.000 0.030 0.000 0.870 477 D CB 2.652 43.506 40.800 0.091 0.000 1.251 477 D HN 0.674 nan 8.370 nan 0.000 0.460 478 L N 2.621 123.864 121.223 0.034 0.000 2.356 478 L HA 0.332 4.699 4.340 0.045 0.000 0.264 478 L C -2.221 174.666 176.870 0.028 0.000 1.029 478 L CA -1.624 53.245 54.840 0.048 0.000 0.897 478 L CB 0.896 43.008 42.059 0.087 0.000 1.256 478 L HN 0.006 nan 8.230 nan 0.000 0.444 479 P HA 0.122 nan 4.420 nan 0.000 0.269 479 P C 0.575 177.890 177.300 0.025 0.000 1.215 479 P CA -0.447 62.663 63.100 0.016 0.000 0.780 479 P CB 0.983 32.694 31.700 0.018 0.000 0.898 480 K N 1.565 121.975 120.400 0.015 0.000 2.147 480 K HA -0.089 4.258 4.320 0.045 0.000 0.205 480 K C 1.070 177.684 176.600 0.023 0.000 1.049 480 K CA 1.369 57.668 56.287 0.020 0.000 0.936 480 K CB 0.126 32.629 32.500 0.005 0.000 0.722 480 K HN 0.380 nan 8.250 nan 0.000 0.446 481 R N 0.584 121.096 120.500 0.020 0.000 2.577 481 R HA 0.128 4.494 4.340 0.045 0.000 0.344 481 R C 0.216 176.539 176.300 0.038 0.000 1.037 481 R CA 0.061 56.175 56.100 0.022 0.000 1.102 481 R CB 0.807 31.112 30.300 0.008 0.000 1.313 481 R HN 0.170 nan 8.270 nan 0.000 0.561 482 S N -1.464 114.271 115.700 0.058 0.000 2.661 482 S HA 0.351 4.848 4.470 0.045 0.000 0.268 482 S C -0.727 173.969 174.600 0.160 0.000 1.162 482 S CA -0.918 57.341 58.200 0.098 0.000 0.817 482 S CB 0.956 64.203 63.200 0.077 0.000 1.141 482 S HN 0.006 nan 8.310 nan 0.000 0.477 483 F N 3.501 123.458 119.950 0.012 0.000 2.545 483 F HA 0.368 4.922 4.527 0.045 0.000 0.348 483 F C 1.374 177.196 175.800 0.037 0.000 1.163 483 F CA -0.583 57.429 58.000 0.020 0.000 1.331 483 F CB 0.541 39.550 39.000 0.016 0.000 1.138 483 F HN 0.827 nan 8.300 nan 0.000 0.602 484 R N 2.934 122.996 120.500 -0.730 0.000 2.678 484 R HA 0.040 4.407 4.340 0.045 0.000 0.264 484 R C -1.094 175.012 176.300 -0.324 0.000 0.995 484 R CA 0.242 56.023 56.100 -0.532 0.000 1.098 484 R CB -0.081 29.814 30.300 -0.675 0.000 0.949 484 R HN 0.690 nan 8.270 nan 0.000 0.422 485 E N 2.438 122.587 120.200 -0.086 0.000 2.402 485 E HA 0.276 4.653 4.350 0.045 0.000 0.244 485 E C -2.404 174.230 176.600 0.056 0.000 0.945 485 E CA -2.149 54.286 56.400 0.058 0.000 0.774 485 E CB 2.126 31.926 29.700 0.167 0.000 1.296 485 E HN 0.550 nan 8.360 nan 0.000 0.414 486 P HA 0.196 nan 4.420 nan 0.000 0.282 486 P C -1.285 175.592 177.300 -0.704 0.000 1.249 486 P CA -0.239 62.508 63.100 -0.589 0.000 0.806 486 P CB 0.579 31.838 31.700 -0.735 0.000 0.984 487 Y N -1.335 118.402 120.300 -0.939 0.000 2.689 487 Y HA 0.643 5.220 4.550 0.045 0.000 0.333 487 Y C -1.542 174.100 175.900 -0.429 0.000 1.208 487 Y CA -1.564 56.151 58.100 -0.641 0.000 1.055 487 Y CB 0.444 38.510 38.460 -0.657 0.000 1.304 487 Y HN 0.001 nan 8.280 nan 0.000 0.455 488 F N 1.877 122.050 119.950 0.371 0.000 2.405 488 F HA 0.758 5.312 4.527 0.045 0.000 0.355 488 F C 0.450 176.445 175.800 0.325 0.000 1.121 488 F CA -0.824 57.373 58.000 0.328 0.000 1.112 488 F CB 1.485 40.691 39.000 0.343 0.000 1.126 488 F HN 0.778 nan 8.300 nan 0.000 0.481 489 A N 4.734 127.811 122.820 0.428 0.000 2.301 489 A HA 0.666 5.013 4.320 0.045 0.000 0.312 489 A C -0.321 177.412 177.584 0.249 0.000 1.182 489 A CA -0.670 51.566 52.037 0.331 0.000 0.826 489 A CB 0.346 19.514 19.000 0.279 0.000 1.134 489 A HN 0.588 nan 8.150 nan 0.000 0.501 490 I N 2.971 123.683 120.570 0.236 0.000 2.379 490 I HA 0.164 4.361 4.170 0.045 0.000 0.290 490 I C 0.053 176.268 176.117 0.163 0.000 1.063 490 I CA 0.150 61.584 61.300 0.225 0.000 1.351 490 I CB 0.275 38.493 38.000 0.364 0.000 1.410 490 I HN 0.525 nan 8.210 nan 0.000 0.505 491 K N 6.037 126.488 120.400 0.084 0.000 2.206 491 K HA 0.508 4.855 4.320 0.045 0.000 0.264 491 K C -0.730 175.811 176.600 -0.098 0.000 0.967 491 K CA -0.737 55.552 56.287 0.004 0.000 0.844 491 K CB 2.773 35.279 32.500 0.009 0.000 1.099 491 K HN 0.251 nan 8.250 nan 0.000 0.441 492 V N 3.372 123.155 119.914 -0.218 0.000 2.370 492 V HA 0.283 4.429 4.120 0.045 0.000 0.279 492 V C 0.157 176.114 176.094 -0.227 0.000 1.029 492 V CA -0.827 61.259 62.300 -0.356 0.000 0.870 492 V CB 1.086 32.480 31.823 -0.716 0.000 0.984 492 V HN 0.584 nan 8.190 nan 0.000 0.451 493 R N 5.578 125.981 120.500 -0.160 0.000 2.294 493 R HA 0.809 5.176 4.340 0.045 0.000 0.319 493 R C -1.003 175.236 176.300 -0.103 0.000 0.984 493 R CA -0.302 55.733 56.100 -0.109 0.000 0.861 493 R CB 0.877 31.139 30.300 -0.063 0.000 1.104 493 R HN 0.786 nan 8.270 nan 0.000 0.451 494 L N 0.775 121.940 121.223 -0.096 0.000 2.568 494 L HA 0.742 5.109 4.340 0.045 0.000 0.257 494 L C -1.338 175.506 176.870 -0.044 0.000 1.024 494 L CA -1.292 53.506 54.840 -0.070 0.000 0.854 494 L CB 2.147 44.154 42.059 -0.087 0.000 1.460 494 L HN 0.679 nan 8.230 nan 0.000 0.409 495 R N 1.474 121.964 120.500 -0.016 0.000 2.494 495 R HA 0.821 5.187 4.340 0.045 0.000 0.305 495 R C -1.529 174.784 176.300 0.022 0.000 0.959 495 R CA -0.851 55.250 56.100 0.002 0.000 0.864 495 R CB 2.148 32.452 30.300 0.006 0.000 1.159 495 R HN 0.599 nan 8.270 nan 0.000 0.446 496 L N 3.553 124.798 121.223 0.037 0.000 2.415 496 L HA 0.503 4.870 4.340 0.045 0.000 0.268 496 L C -2.785 174.124 176.870 0.066 0.000 0.984 496 L CA -2.295 52.583 54.840 0.063 0.000 0.853 496 L CB 1.823 43.940 42.059 0.097 0.000 1.215 496 L HN 0.546 nan 8.230 nan 0.000 0.419 497 P HA 0.383 nan 4.420 nan 0.000 0.271 497 P C -0.956 176.383 177.300 0.065 0.000 1.226 497 P CA 0.271 63.407 63.100 0.059 0.000 0.765 497 P CB 0.784 32.516 31.700 0.053 0.000 0.835 498 I N 1.856 122.466 120.570 0.067 0.000 2.775 498 I HA 0.319 4.516 4.170 0.045 0.000 0.295 498 I C -1.205 174.950 176.117 0.063 0.000 1.287 498 I CA -0.287 61.052 61.300 0.065 0.000 1.029 498 I CB 2.148 40.194 38.000 0.075 0.000 1.282 498 I HN 0.074 nan 8.210 nan 0.000 0.426 499 T N 7.565 122.151 114.554 0.053 0.000 2.772 499 T HA 0.552 4.929 4.350 0.045 0.000 0.288 499 T C -0.572 174.147 174.700 0.032 0.000 0.994 499 T CA -0.302 61.829 62.100 0.051 0.000 0.951 499 T CB 0.677 69.575 68.868 0.051 0.000 0.933 499 T HN 0.283 nan 8.240 nan 0.000 0.447 500 L N 5.839 127.083 121.223 0.034 0.000 2.296 500 L HA 0.450 4.817 4.340 0.045 0.000 0.286 500 L C -2.211 174.648 176.870 -0.017 0.000 1.023 500 L CA -2.484 52.362 54.840 0.010 0.000 0.812 500 L CB 1.674 43.754 42.059 0.035 0.000 1.223 500 L HN 0.315 nan 8.230 nan 0.000 0.421 501 P HA 0.025 nan 4.420 nan 0.000 0.270 501 P C -0.529 176.698 177.300 -0.122 0.000 1.227 501 P CA -0.329 62.709 63.100 -0.103 0.000 0.788 501 P CB 0.503 32.118 31.700 -0.142 0.000 0.926 502 A N 2.596 125.310 122.820 -0.176 0.000 2.520 502 A HA 0.147 4.494 4.320 0.045 0.000 0.235 502 A C 0.697 178.155 177.584 -0.211 0.000 1.065 502 A CA 0.066 51.973 52.037 -0.217 0.000 0.764 502 A CB -1.061 17.747 19.000 -0.320 0.000 1.002 502 A HN 0.668 nan 8.150 nan 0.000 0.502 503 M N 1.421 120.894 119.600 -0.212 0.000 2.351 503 M HA -0.191 4.316 4.480 0.045 0.000 0.181 503 M C 0.309 176.554 176.300 -0.091 0.000 0.852 503 M CA 1.337 56.504 55.300 -0.223 0.000 0.520 503 M CB -1.700 30.610 32.600 -0.483 0.000 1.076 503 M HN 1.541 nan 8.290 nan 0.000 0.881 504 S N 0.325 116.016 115.700 -0.015 0.000 2.651 504 S HA 0.950 5.447 4.470 0.045 0.000 0.279 504 S C -0.963 173.719 174.600 0.137 0.000 1.148 504 S CA -0.550 57.612 58.200 -0.063 0.000 0.837 504 S CB 1.697 64.781 63.200 -0.194 0.000 1.138 504 S HN 0.976 nan 8.310 nan 0.000 0.478 505 W N 0.461 121.789 121.300 0.046 0.000 2.882 505 W HA 0.883 5.570 4.660 0.045 0.000 0.345 505 W C -1.050 175.400 176.519 -0.116 0.000 1.125 505 W CA -0.941 56.319 57.345 -0.143 0.000 1.167 505 W CB 1.171 30.396 29.460 -0.392 0.000 1.431 505 W HN 0.922 nan 8.180 nan 0.000 0.543 506 K N 0.924 121.390 120.400 0.110 0.000 2.498 506 K HA 0.565 4.912 4.320 0.045 0.000 0.254 506 K C -1.228 175.374 176.600 0.004 0.000 0.933 506 K CA -0.500 55.827 56.287 0.067 0.000 0.806 506 K CB 2.146 34.647 32.500 0.002 0.000 1.301 506 K HN 0.594 nan 8.250 nan 0.000 0.432 507 T N 4.165 118.746 114.554 0.045 0.000 2.771 507 T HA 0.476 4.853 4.350 0.045 0.000 0.281 507 T C -0.255 174.397 174.700 -0.081 0.000 0.982 507 T CA -0.575 61.496 62.100 -0.048 0.000 0.978 507 T CB 0.591 69.547 68.868 0.147 0.000 0.930 507 T HN 0.375 nan 8.240 nan 0.000 0.447 508 L N 1.462 122.322 121.223 -0.604 0.000 2.211 508 L HA 0.977 5.344 4.340 0.045 0.000 0.259 508 L C -0.157 176.040 176.870 -1.122 0.000 1.031 508 L CA -1.319 53.116 54.840 -0.674 0.000 0.877 508 L CB 1.532 43.146 42.059 -0.742 0.000 1.457 508 L HN 0.729 nan 8.230 nan 0.000 0.466 509 A N 0.525 122.979 122.820 -0.609 0.000 2.539 509 A HA 0.751 5.098 4.320 0.045 0.000 0.296 509 A C -1.872 175.840 177.584 0.213 0.000 1.073 509 A CA -0.417 51.419 52.037 -0.335 0.000 0.700 509 A CB 1.778 20.413 19.000 -0.609 0.000 1.296 509 A HN 0.463 nan 8.150 nan 0.000 0.405 510 L N 1.492 122.922 121.223 0.345 0.000 2.295 510 L HA 0.824 5.191 4.340 0.045 0.000 0.285 510 L C -0.107 177.016 176.870 0.422 0.000 1.035 510 L CA 0.063 55.120 54.840 0.362 0.000 0.806 510 L CB 0.994 43.242 42.059 0.316 0.000 1.214 510 L HN 0.850 nan 8.230 nan 0.000 0.426 511 K N 3.837 124.430 120.400 0.322 0.000 2.548 511 K HA 0.617 4.963 4.320 0.045 0.000 0.282 511 K C -1.727 174.871 176.600 -0.004 0.000 1.006 511 K CA -0.974 55.485 56.287 0.286 0.000 0.892 511 K CB 1.219 33.867 32.500 0.245 0.000 1.499 511 K HN 0.504 nan 8.250 nan 0.000 0.433 512 L N 0.696 121.841 121.223 -0.130 0.000 2.343 512 L HA 0.729 5.096 4.340 0.045 0.000 0.275 512 L C 0.272 177.063 176.870 -0.132 0.000 1.056 512 L CA -0.166 54.472 54.840 -0.337 0.000 0.804 512 L CB 1.692 43.506 42.059 -0.409 0.000 1.203 512 L HN 1.009 nan 8.230 nan 0.000 0.440 513 G N 0.051 108.760 108.800 -0.152 0.000 2.606 513 G HA2 0.432 4.419 3.960 0.045 0.000 0.300 513 G HA3 0.432 4.419 3.960 0.045 0.000 0.300 513 G C -1.215 173.638 174.900 -0.079 0.000 1.360 513 G CA -0.270 44.786 45.100 -0.073 0.000 0.783 513 G HN 0.645 nan 8.290 nan 0.000 0.484 514 N N -0.686 117.987 118.700 -0.045 0.000 2.518 514 N HA 0.602 5.369 4.740 0.045 0.000 0.266 514 N C 0.491 175.981 175.510 -0.034 0.000 1.196 514 N CA 0.857 53.883 53.050 -0.040 0.000 0.947 514 N CB 0.128 38.602 38.487 -0.023 0.000 1.098 514 N HN 1.248 nan 8.380 nan 0.000 0.450 520 E N -1.623 118.581 120.200 0.008 0.000 2.450 520 E HA 0.141 4.517 4.350 0.045 0.000 0.244 520 E C 0.938 177.542 176.600 0.007 0.000 1.226 520 E CA 2.667 59.071 56.400 0.006 0.000 0.720 520 E CB -2.538 27.165 29.700 0.005 0.000 1.254 520 E HN 2.484 nan 8.360 nan 0.000 0.399 521 T N -0.351 114.209 114.554 0.010 0.000 2.743 521 T HA 0.628 5.005 4.350 0.045 0.000 0.292 521 T C 0.270 174.978 174.700 0.012 0.000 0.972 521 T CA 0.064 62.171 62.100 0.012 0.000 0.967 521 T CB 1.137 70.016 68.868 0.017 0.000 0.926 521 T HN 0.823 nan 8.240 nan 0.000 0.459 522 V N 3.841 123.761 119.914 0.010 0.000 2.432 522 V HA 0.278 4.425 4.120 0.045 0.000 0.271 522 V C 0.952 177.058 176.094 0.020 0.000 1.046 522 V CA -0.810 61.496 62.300 0.010 0.000 0.945 522 V CB 0.817 32.642 31.823 0.003 0.000 0.992 522 V HN 0.976 nan 8.190 nan 0.000 0.471 523 S N 4.484 120.200 115.700 0.026 0.000 2.568 523 S HA 0.227 4.724 4.470 0.045 0.000 0.282 523 S C 1.331 175.965 174.600 0.056 0.000 1.338 523 S CA -0.466 57.761 58.200 0.046 0.000 1.045 523 S CB 0.693 63.928 63.200 0.059 0.000 0.873 523 S HN 0.617 nan 8.310 nan 0.000 0.516 524 L N 1.303 122.574 121.223 0.080 0.000 2.201 524 L HA -0.025 4.342 4.340 0.045 0.000 0.212 524 L C 0.473 177.432 176.870 0.149 0.000 1.105 524 L CA 1.048 55.945 54.840 0.095 0.000 0.775 524 L CB -0.164 41.950 42.059 0.092 0.000 0.913 524 L HN 0.616 nan 8.230 nan 0.000 0.440 525 Y N 0.555 120.867 120.300 0.020 0.000 2.341 525 Y HA 0.271 4.847 4.550 0.044 0.000 0.337 525 Y C -0.427 175.484 175.900 0.018 0.000 1.014 525 Y CA -1.594 56.519 58.100 0.021 0.000 1.111 525 Y CB 0.953 39.427 38.460 0.023 0.000 1.194 525 Y HN -0.141 nan 8.280 nan 0.000 0.462 526 D N 4.253 124.324 120.400 -0.548 0.000 2.412 526 D HA 0.157 4.824 4.640 0.045 0.000 0.224 526 D C 0.763 176.615 176.300 -0.748 0.000 1.093 526 D CA 0.702 54.424 54.000 -0.464 0.000 0.850 526 D CB 1.065 41.717 40.800 -0.247 0.000 1.046 526 D HN 0.974 nan 8.370 nan 0.000 0.507 527 D N 2.330 122.424 120.400 -0.511 0.000 2.218 527 D HA -0.183 4.484 4.640 0.045 0.000 0.204 527 D C 1.844 178.040 176.300 -0.173 0.000 0.976 527 D CA 1.866 55.685 54.000 -0.302 0.000 0.853 527 D CB -0.246 40.530 40.800 -0.040 0.000 0.939 527 D HN 0.524 nan 8.370 nan 0.000 0.481 528 S N -0.060 115.549 115.700 -0.153 0.000 2.377 528 S HA -0.040 4.457 4.470 0.045 0.000 0.223 528 S C 2.003 176.549 174.600 -0.090 0.000 1.030 528 S CA 1.441 59.587 58.200 -0.089 0.000 0.970 528 S CB -0.178 62.982 63.200 -0.067 0.000 0.830 528 S HN 0.329 nan 8.310 nan 0.000 0.473 529 N N 0.866 119.487 118.700 -0.131 0.000 2.416 529 N HA -0.011 4.756 4.740 0.045 0.000 0.177 529 N C -0.359 175.098 175.510 -0.088 0.000 1.036 529 N CA 0.493 53.484 53.050 -0.099 0.000 0.901 529 N CB 0.046 38.473 38.487 -0.100 0.000 0.976 529 N HN 0.370 nan 8.380 nan 0.000 0.444 530 Q N -1.354 118.349 119.800 -0.162 0.000 2.470 530 Q HA -0.199 4.168 4.340 0.045 0.000 0.294 530 Q C -0.937 175.088 176.000 0.041 0.000 1.356 530 Q CA 0.464 56.243 55.803 -0.040 0.000 0.805 530 Q CB -2.871 25.920 28.738 0.089 0.000 1.157 530 Q HN 0.305 nan 8.270 nan 0.000 0.431 531 C N 0.965 120.174 119.300 -0.150 0.000 2.396 531 C HA 0.671 5.158 4.460 0.045 0.000 0.321 531 C C 0.425 175.488 174.990 0.122 0.000 1.233 531 C CA -0.682 58.345 59.018 0.015 0.000 1.440 531 C CB 0.948 28.667 27.740 -0.035 0.000 2.110 531 C HN 0.515 nan 8.230 nan 0.000 0.473 532 L N 4.243 125.601 121.223 0.225 0.000 2.264 532 L HA 0.583 4.950 4.340 0.045 0.000 0.289 532 L C -0.036 176.911 176.870 0.128 0.000 1.044 532 L CA 0.202 55.175 54.840 0.222 0.000 0.807 532 L CB 0.998 43.175 42.059 0.197 0.000 1.192 532 L HN 0.667 nan 8.230 nan 0.000 0.425 533 E N 3.342 123.605 120.200 0.104 0.000 2.287 533 E HA 0.282 4.658 4.350 0.045 0.000 0.274 533 E C -1.324 175.315 176.600 0.064 0.000 0.896 533 E CA -0.584 55.860 56.400 0.074 0.000 0.788 533 E CB 1.585 31.311 29.700 0.043 0.000 1.244 533 E HN 0.712 nan 8.360 nan 0.000 0.408 534 N N 1.959 120.701 118.700 0.069 0.000 3.369 534 N HA 0.345 5.112 4.740 0.045 0.000 0.362 534 N C 1.049 176.542 175.510 -0.028 0.000 1.523 534 N CA -0.084 52.992 53.050 0.043 0.000 0.684 534 N CB -0.323 38.226 38.487 0.103 0.000 1.796 534 N HN 0.399 nan 8.380 nan 0.000 0.641 535 G N -1.269 107.437 108.800 -0.156 0.000 2.471 535 G HA2 -0.051 3.936 3.960 0.045 0.000 0.219 535 G HA3 -0.051 3.936 3.960 0.045 0.000 0.219 535 G C 0.391 175.025 174.900 -0.443 0.000 1.125 535 G CA 0.572 45.440 45.100 -0.387 0.000 0.775 535 G HN 0.392 nan 8.290 nan 0.000 0.548 536 F N -0.518 119.448 119.950 0.028 0.000 2.514 536 F HA 0.465 5.019 4.527 0.045 0.000 0.281 536 F C 0.843 176.680 175.800 0.061 0.000 1.060 536 F CA -0.054 57.966 58.000 0.034 0.000 1.397 536 F CB 0.207 39.221 39.000 0.022 0.000 1.129 536 F HN -0.154 nan 8.300 nan 0.000 0.620 537 L N 0.228 121.607 121.223 0.260 0.000 2.381 537 L HA 0.728 5.095 4.340 0.045 0.000 0.268 537 L C -0.153 176.799 176.870 0.137 0.000 0.997 537 L CA -1.012 53.950 54.840 0.204 0.000 0.818 537 L CB 1.641 43.837 42.059 0.227 0.000 1.310 537 L HN -0.198 nan 8.230 nan 0.000 0.416 538 K N 1.993 122.463 120.400 0.117 0.000 2.265 538 K HA 0.695 5.041 4.320 0.045 0.000 0.267 538 K C -0.896 175.760 176.600 0.095 0.000 0.994 538 K CA -0.463 55.877 56.287 0.089 0.000 0.860 538 K CB 1.557 34.094 32.500 0.062 0.000 1.099 538 K HN 0.367 nan 8.250 nan 0.000 0.448 539 V N 2.407 122.379 119.914 0.097 0.000 2.313 539 V HA 0.669 4.816 4.120 0.045 0.000 0.278 539 V C 0.424 176.578 176.094 0.100 0.000 1.017 539 V CA -0.574 61.783 62.300 0.096 0.000 0.823 539 V CB 0.823 32.712 31.823 0.109 0.000 1.010 539 V HN 0.989 nan 8.190 nan 0.000 0.443 540 M N 5.913 125.558 119.600 0.076 0.000 2.113 540 M HA 0.663 5.170 4.480 0.045 0.000 0.352 540 M C -0.437 175.908 176.300 0.074 0.000 1.170 540 M CA -0.193 55.150 55.300 0.071 0.000 1.053 540 M CB 0.463 33.088 32.600 0.043 0.000 1.601 540 M HN 0.613 nan 8.290 nan 0.000 0.459 541 I N 3.883 124.513 120.570 0.100 0.000 2.337 541 I HA 0.192 4.389 4.170 0.045 0.000 0.291 541 I C 0.584 176.738 176.117 0.061 0.000 1.046 541 I CA -0.452 60.902 61.300 0.090 0.000 1.324 541 I CB 0.771 38.847 38.000 0.126 0.000 1.409 541 I HN 0.863 nan 8.210 nan 0.000 0.494 542 Q N 2.965 122.786 119.800 0.036 0.000 2.443 542 Q HA 0.050 4.417 4.340 0.045 0.000 0.232 542 Q C 1.534 177.549 176.000 0.025 0.000 1.026 542 Q CA 0.025 55.841 55.803 0.021 0.000 0.924 542 Q CB 0.787 29.526 28.738 0.000 0.000 1.256 542 Q HN 0.775 nan 8.270 nan 0.000 0.519 543 T N -2.394 112.171 114.554 0.018 0.000 2.929 543 T HA -0.163 4.214 4.350 0.045 0.000 0.271 543 T C 0.955 175.664 174.700 0.016 0.000 1.085 543 T CA 1.445 63.557 62.100 0.020 0.000 1.125 543 T CB -0.125 68.753 68.868 0.015 0.000 0.874 543 T HN 0.751 nan 8.240 nan 0.000 0.494 544 D N 0.609 121.012 120.400 0.005 0.000 2.339 544 D HA 0.232 4.899 4.640 0.045 0.000 0.217 544 D C 1.668 177.967 176.300 -0.002 0.000 1.050 544 D CA 0.539 54.537 54.000 -0.003 0.000 0.856 544 D CB -0.621 40.167 40.800 -0.021 0.000 0.922 544 D HN 0.589 nan 8.370 nan 0.000 0.518 545 G N 0.357 109.164 108.800 0.013 0.000 2.225 545 G HA2 -0.322 3.664 3.960 0.045 0.000 0.254 545 G HA3 -0.322 3.664 3.960 0.045 0.000 0.254 545 G C 0.539 175.448 174.900 0.015 0.000 0.988 545 G CA 0.080 45.197 45.100 0.029 0.000 0.625 545 G HN 0.467 nan 8.290 nan 0.000 0.527 546 R N -0.340 120.145 120.500 -0.025 0.000 2.726 546 R HA 0.651 5.018 4.340 0.045 0.000 0.272 546 R C 0.416 176.692 176.300 -0.040 0.000 1.097 546 R CA -0.121 55.936 56.100 -0.071 0.000 1.198 546 R CB 0.325 30.561 30.300 -0.107 0.000 1.114 546 R HN 0.263 nan 8.270 nan 0.000 0.550 547 L N 0.291 121.475 121.223 -0.065 0.000 2.334 547 L HA 0.385 4.752 4.340 0.045 0.000 0.276 547 L C -0.268 176.594 176.870 -0.012 0.000 1.014 547 L CA -0.592 54.236 54.840 -0.021 0.000 0.815 547 L CB 2.190 44.239 42.059 -0.017 0.000 1.268 547 L HN 0.546 nan 8.230 nan 0.000 0.428 548 T N 3.970 118.534 114.554 0.016 0.000 2.842 548 T HA 0.550 4.927 4.350 0.045 0.000 0.308 548 T C -0.167 174.563 174.700 0.049 0.000 1.041 548 T CA -0.210 61.910 62.100 0.034 0.000 0.964 548 T CB 0.445 69.328 68.868 0.025 0.000 0.972 548 T HN 0.261 nan 8.240 nan 0.000 0.460 549 I N 2.855 123.467 120.570 0.070 0.000 2.354 549 I HA 0.354 4.551 4.170 0.045 0.000 0.292 549 I C 0.274 176.494 176.117 0.172 0.000 0.989 549 I CA -0.674 60.681 61.300 0.092 0.000 1.188 549 I CB 1.803 39.791 38.000 -0.021 0.000 1.342 549 I HN 0.397 nan 8.210 nan 0.000 0.457 550 T N 3.987 118.625 114.554 0.140 0.000 2.771 550 T HA 0.128 4.505 4.350 0.045 0.000 0.281 550 T C -0.332 174.468 174.700 0.167 0.000 0.982 550 T CA -0.405 61.770 62.100 0.124 0.000 0.978 550 T CB 1.060 69.968 68.868 0.066 0.000 0.930 550 T HN 0.437 nan 8.240 nan 0.000 0.447 551 D N 2.703 123.217 120.400 0.190 0.000 2.344 551 D HA 0.111 4.778 4.640 0.045 0.000 0.253 551 D C 0.925 177.298 176.300 0.122 0.000 1.255 551 D CA -0.117 53.998 54.000 0.193 0.000 0.894 551 D CB 0.823 41.753 40.800 0.215 0.000 1.067 551 D HN 0.405 nan 8.370 nan 0.000 0.492 552 K N 2.652 123.121 120.400 0.115 0.000 2.362 552 K HA -0.177 4.170 4.320 0.045 0.000 0.200 552 K C 1.502 178.133 176.600 0.051 0.000 1.046 552 K CA 0.690 57.016 56.287 0.065 0.000 0.952 552 K CB 0.326 32.852 32.500 0.043 0.000 0.753 552 K HN 0.331 nan 8.250 nan 0.000 0.466 553 Q N 0.622 120.469 119.800 0.078 0.000 2.036 553 Q HA -0.070 4.297 4.340 0.045 0.000 0.195 553 Q C 1.994 178.026 176.000 0.053 0.000 0.971 553 Q CA 1.995 57.838 55.803 0.066 0.000 0.826 553 Q CB 0.069 28.866 28.738 0.099 0.000 0.896 553 Q HN 0.218 nan 8.270 nan 0.000 0.449 554 S N -1.880 113.858 115.700 0.063 0.000 2.478 554 S HA 0.256 4.753 4.470 0.045 0.000 0.222 554 S C 1.497 176.111 174.600 0.023 0.000 1.008 554 S CA 0.576 58.803 58.200 0.044 0.000 0.928 554 S CB 0.258 63.492 63.200 0.056 0.000 0.781 554 S HN 0.765 nan 8.310 nan 0.000 0.518 555 G N 0.452 109.268 108.800 0.028 0.000 2.176 555 G HA2 -0.195 3.792 3.960 0.045 0.000 0.253 555 G HA3 -0.195 3.792 3.960 0.045 0.000 0.253 555 G C -0.203 174.684 174.900 -0.021 0.000 0.979 555 G CA 0.168 45.272 45.100 0.006 0.000 0.641 555 G HN 0.481 nan 8.290 nan 0.000 0.530 556 L N 0.860 122.065 121.223 -0.029 0.000 2.397 556 L HA 0.645 5.012 4.340 0.045 0.000 0.271 556 L C 0.706 177.466 176.870 -0.183 0.000 1.148 556 L CA -0.050 54.711 54.840 -0.132 0.000 0.825 556 L CB 1.153 43.116 42.059 -0.160 0.000 1.117 556 L HN 0.203 nan 8.230 nan 0.000 0.456 557 I N 3.461 123.855 120.570 -0.293 0.000 2.406 557 I HA 0.280 4.477 4.170 0.045 0.000 0.290 557 I C -1.193 174.717 176.117 -0.344 0.000 0.999 557 I CA -0.604 60.573 61.300 -0.204 0.000 1.124 557 I CB 1.148 39.087 38.000 -0.102 0.000 1.289 557 I HN 0.350 nan 8.210 nan 0.000 0.441 558 Y N 4.885 125.223 120.300 0.063 0.000 2.356 558 Y HA 0.419 4.994 4.550 0.042 0.000 0.334 558 Y C 0.100 176.015 175.900 0.025 0.000 0.958 558 Y CA -0.654 57.488 58.100 0.071 0.000 1.196 558 Y CB 1.129 39.656 38.460 0.112 0.000 1.137 558 Y HN 0.472 nan 8.280 nan 0.000 0.485 559 Q N 1.888 121.771 119.800 0.138 0.000 2.205 559 Q HA 0.235 4.602 4.340 0.045 0.000 0.249 559 Q C -0.474 175.559 176.000 0.055 0.000 0.948 559 Q CA -0.749 55.092 55.803 0.063 0.000 0.895 559 Q CB 1.085 29.830 28.738 0.013 0.000 1.249 559 Q HN 0.666 nan 8.270 nan 0.000 0.458 560 D N 0.264 120.661 120.400 -0.005 0.000 2.837 560 D HA -0.182 4.485 4.640 0.045 0.000 0.230 560 D C -0.531 175.705 176.300 -0.107 0.000 1.152 560 D CA 0.802 54.767 54.000 -0.059 0.000 0.736 560 D CB -1.332 39.433 40.800 -0.057 0.000 1.084 560 D HN 0.420 nan 8.370 nan 0.000 0.429 561 L N -0.362 120.802 121.223 -0.098 0.000 2.473 561 L HA 0.172 4.539 4.340 0.045 0.000 0.268 561 L C 1.543 178.174 176.870 -0.398 0.000 1.215 561 L CA -0.541 54.181 54.840 -0.197 0.000 0.823 561 L CB 0.309 42.303 42.059 -0.108 0.000 1.099 561 L HN 0.187 nan 8.230 nan 0.000 0.483 562 L N 1.469 122.211 121.223 -0.801 0.000 3.472 562 L HA -0.197 4.170 4.340 0.045 0.000 0.485 562 L C 0.125 176.471 176.870 -0.875 0.000 1.312 562 L CA 0.714 54.940 54.840 -1.024 0.000 0.869 562 L CB -0.719 40.925 42.059 -0.693 0.000 1.687 562 L HN 0.690 nan 8.230 nan 0.000 0.853 563 R N 0.648 120.675 120.500 -0.788 0.000 2.297 563 R HA 0.535 4.902 4.340 0.045 0.000 0.308 563 R C -0.668 175.258 176.300 -0.623 0.000 1.029 563 R CA -0.514 55.257 56.100 -0.548 0.000 0.929 563 R CB 0.521 30.601 30.300 -0.368 0.000 1.046 563 R HN 0.195 nan 8.270 nan 0.000 0.461 564 F N 2.816 122.677 119.950 -0.149 0.000 2.404 564 F HA 0.255 4.810 4.527 0.046 0.000 0.354 564 F C 0.490 176.305 175.800 0.025 0.000 1.122 564 F CA -0.363 57.580 58.000 -0.095 0.000 1.080 564 F CB 1.360 40.280 39.000 -0.132 0.000 1.131 564 F HN 0.419 nan 8.300 nan 0.000 0.471 565 E N 3.196 123.531 120.200 0.225 0.000 2.191 565 E HA 0.221 4.598 4.350 0.045 0.000 0.263 565 E C -1.825 174.869 176.600 0.158 0.000 0.881 565 E CA -0.666 55.847 56.400 0.188 0.000 0.757 565 E CB 1.531 31.352 29.700 0.200 0.000 1.147 565 E HN 0.689 nan 8.360 nan 0.000 0.414 566 D N 3.378 123.896 120.400 0.197 0.000 2.256 566 D HA 0.358 5.025 4.640 0.045 0.000 0.240 566 D C -1.253 175.146 176.300 0.166 0.000 1.062 566 D CA -0.234 53.888 54.000 0.204 0.000 0.832 566 D CB 0.793 41.741 40.800 0.248 0.000 1.135 566 D HN 0.371 nan 8.370 nan 0.000 0.484 567 C N 2.600 121.977 119.300 0.128 0.000 2.848 567 C HA 0.876 5.363 4.460 0.045 0.000 0.317 567 C C 0.848 175.916 174.990 0.131 0.000 1.260 567 C CA -0.879 58.210 59.018 0.117 0.000 1.656 567 C CB 1.429 29.208 27.740 0.065 0.000 2.174 567 C HN 0.744 nan 8.230 nan 0.000 0.479 568 G N 0.534 109.407 108.800 0.122 0.000 2.467 568 G HA2 0.462 4.449 3.960 0.045 0.000 0.257 568 G HA3 0.462 4.449 3.960 0.045 0.000 0.257 568 G C -1.086 173.870 174.900 0.094 0.000 1.227 568 G CA 0.388 45.554 45.100 0.109 0.000 0.835 568 G HN 0.733 nan 8.290 nan 0.000 0.556 569 D N 1.166 121.623 120.400 0.095 0.000 2.476 569 D HA 0.164 4.831 4.640 0.045 0.000 0.251 569 D C 0.945 177.294 176.300 0.081 0.000 1.291 569 D CA -0.561 53.488 54.000 0.083 0.000 0.939 569 D CB 1.101 41.944 40.800 0.071 0.000 1.221 569 D HN 0.342 nan 8.370 nan 0.000 0.567 570 I N 0.906 121.519 120.570 0.072 0.000 3.884 570 I HA 0.486 4.683 4.170 0.045 0.000 0.330 570 I C 0.895 177.051 176.117 0.066 0.000 1.451 570 I CA -0.662 60.675 61.300 0.061 0.000 1.165 570 I CB 0.698 38.722 38.000 0.040 0.000 1.097 570 I HN 0.157 nan 8.210 nan 0.000 0.404 571 G N 2.149 111.000 108.800 0.085 0.000 2.714 571 G HA2 0.447 4.433 3.960 0.045 0.000 0.197 571 G HA3 0.447 4.433 3.960 0.045 0.000 0.197 571 G C -0.474 174.503 174.900 0.127 0.000 1.449 571 G CA -0.114 45.048 45.100 0.104 0.000 1.065 571 G HN 0.556 nan 8.290 nan 0.000 0.575 572 N N -2.936 115.860 118.700 0.160 0.000 3.316 572 N HA 0.179 4.946 4.740 0.045 0.000 0.300 572 N C 0.303 175.925 175.510 0.187 0.000 1.567 572 N CA -0.616 52.551 53.050 0.195 0.000 0.821 572 N CB 0.828 39.471 38.487 0.259 0.000 1.748 572 N HN 0.366 nan 8.380 nan 0.000 0.603 573 E N -1.378 118.927 120.200 0.175 0.000 2.338 573 E HA -0.091 4.286 4.350 0.045 0.000 0.197 573 E C 0.330 176.931 176.600 0.001 0.000 1.007 573 E CA 1.138 57.567 56.400 0.048 0.000 0.849 573 E CB -0.284 29.401 29.700 -0.025 0.000 0.774 573 E HN 0.504 nan 8.360 nan 0.000 0.506 574 Y N -0.320 120.077 120.300 0.161 0.000 2.479 574 Y HA 0.219 4.795 4.550 0.044 0.000 0.283 574 Y C 0.984 176.941 175.900 0.095 0.000 1.109 574 Y CA 0.145 58.321 58.100 0.127 0.000 1.239 574 Y CB 0.773 39.294 38.460 0.102 0.000 1.108 574 Y HN -0.149 nan 8.280 nan 0.000 0.548 575 I N -0.659 120.075 120.570 0.274 0.000 2.499 575 I HA 0.238 4.435 4.170 0.045 0.000 0.288 575 I C -0.554 175.658 176.117 0.159 0.000 1.048 575 I CA -0.834 60.582 61.300 0.193 0.000 1.062 575 I CB 2.037 40.150 38.000 0.189 0.000 1.238 575 I HN -0.243 nan 8.210 nan 0.000 0.426 576 S N 4.992 120.770 115.700 0.130 0.000 2.525 576 S HA 0.609 5.106 4.470 0.045 0.000 0.278 576 S C -0.456 174.242 174.600 0.163 0.000 1.234 576 S CA -0.390 57.878 58.200 0.114 0.000 1.058 576 S CB 0.636 63.877 63.200 0.067 0.000 0.983 576 S HN 0.615 nan 8.310 nan 0.000 0.495 577 R N 3.150 123.737 120.500 0.145 0.000 2.514 577 R HA 0.404 4.771 4.340 0.045 0.000 0.296 577 R C -1.535 174.834 176.300 0.115 0.000 1.012 577 R CA -0.467 55.737 56.100 0.172 0.000 0.897 577 R CB 0.889 31.264 30.300 0.125 0.000 1.184 577 R HN 0.506 nan 8.270 nan 0.000 0.440 578 Q N 5.477 125.348 119.800 0.118 0.000 2.286 578 Q HA 0.332 4.698 4.340 0.045 0.000 0.257 578 Q C -2.057 173.985 176.000 0.069 0.000 0.941 578 Q CA -1.738 54.115 55.803 0.084 0.000 0.912 578 Q CB 0.924 29.705 28.738 0.072 0.000 1.192 578 Q HN 0.482 nan 8.270 nan 0.000 0.410 579 P HA -0.098 nan 4.420 nan 0.000 0.270 579 P C -0.616 176.694 177.300 0.016 0.000 1.227 579 P CA -0.176 62.946 63.100 0.037 0.000 0.788 579 P CB 0.519 32.249 31.700 0.051 0.000 0.926 580 N N 1.142 119.832 118.700 -0.017 0.000 2.357 580 N HA -0.099 4.667 4.740 0.045 0.000 0.257 580 N C 0.411 175.895 175.510 -0.044 0.000 1.250 580 N CA 0.661 53.640 53.050 -0.119 0.000 0.862 580 N CB -0.888 37.531 38.487 -0.113 0.000 1.066 580 N HN 0.547 nan 8.380 nan 0.000 0.468 581 H N -2.322 116.765 119.070 0.027 0.000 2.820 581 H HA -0.205 4.378 4.556 0.045 0.000 0.295 581 H C -0.545 174.789 175.328 0.011 0.000 1.187 581 H CA 0.705 56.763 56.048 0.017 0.000 1.144 581 H CB -1.280 28.488 29.762 0.011 0.000 1.354 581 H HN 0.592 nan 8.280 nan 0.000 0.395 582 D N 1.419 121.868 120.400 0.082 0.000 2.382 582 D HA 0.045 4.711 4.640 0.045 0.000 0.259 582 D C 0.001 176.311 176.300 0.016 0.000 1.224 582 D CA 0.035 54.072 54.000 0.061 0.000 0.894 582 D CB 0.679 41.514 40.800 0.059 0.000 1.127 582 D HN 0.170 nan 8.370 nan 0.000 0.487 583 Q N 4.551 124.327 119.800 -0.039 0.000 2.368 583 Q HA 0.325 4.692 4.340 0.045 0.000 0.256 583 Q C -2.160 173.651 176.000 -0.316 0.000 0.980 583 Q CA -2.038 53.670 55.803 -0.159 0.000 0.887 583 Q CB 1.293 29.909 28.738 -0.204 0.000 1.221 583 Q HN 0.439 nan 8.270 nan 0.000 0.458 584 P HA 0.036 nan 4.420 nan 0.000 0.267 584 P C -0.778 176.129 177.300 -0.654 0.000 1.200 584 P CA 0.320 63.191 63.100 -0.383 0.000 0.772 584 P CB 0.307 31.694 31.700 -0.522 0.000 0.855 585 F N 1.631 121.397 119.950 -0.308 0.000 2.421 585 F HA 0.391 4.944 4.527 0.045 0.000 0.337 585 F C 0.236 175.947 175.800 -0.148 0.000 1.105 585 F CA -0.235 57.690 58.000 -0.124 0.000 1.049 585 F CB 0.821 39.886 39.000 0.109 0.000 1.139 585 F HN 0.234 nan 8.300 nan 0.000 0.479 586 Y N 0.964 121.402 120.300 0.231 0.000 2.364 586 Y HA 0.484 5.060 4.550 0.044 0.000 0.340 586 Y C 0.852 176.528 175.900 -0.374 0.000 0.975 586 Y CA -1.162 56.915 58.100 -0.038 0.000 1.089 586 Y CB 1.765 40.195 38.460 -0.051 0.000 1.192 586 Y HN 0.706 nan 8.280 nan 0.000 0.454 587 A N 1.781 124.209 122.820 -0.654 0.000 1.933 587 A HA -0.183 4.164 4.320 0.045 0.000 0.218 587 A C 1.783 179.158 177.584 -0.349 0.000 1.175 587 A CA 1.911 53.302 52.037 -1.077 0.000 0.628 587 A CB -0.543 17.968 19.000 -0.815 0.000 0.814 587 A HN 0.899 nan 8.150 nan 0.000 0.444 588 D N -0.386 119.927 120.400 -0.145 0.000 2.309 588 D HA -0.212 4.455 4.640 0.045 0.000 0.212 588 D C 1.383 177.667 176.300 -0.026 0.000 0.968 588 D CA 1.142 55.103 54.000 -0.065 0.000 0.882 588 D CB -0.443 40.315 40.800 -0.071 0.000 0.918 588 D HN 0.649 nan 8.370 nan 0.000 0.503 589 Q N 0.445 120.248 119.800 0.004 0.000 2.360 589 Q HA 0.208 4.575 4.340 0.045 0.000 0.202 589 Q C 1.179 177.228 176.000 0.081 0.000 0.915 589 Q CA 0.031 55.869 55.803 0.058 0.000 0.943 589 Q CB 0.926 29.731 28.738 0.112 0.000 1.064 589 Q HN 0.307 nan 8.270 nan 0.000 0.511 590 G N -0.127 108.711 108.800 0.064 0.000 2.945 590 G HA2 0.223 4.210 3.960 0.045 0.000 0.156 590 G HA3 0.223 4.210 3.960 0.045 0.000 0.156 590 G C -0.499 174.443 174.900 0.071 0.000 1.375 590 G CA -0.303 44.863 45.100 0.111 0.000 1.039 590 G HN -0.021 nan 8.290 nan 0.000 0.586 591 T N 1.667 116.269 114.554 0.079 0.000 2.767 591 T HA 0.509 4.886 4.350 0.045 0.000 0.284 591 T C -0.241 174.487 174.700 0.047 0.000 0.973 591 T CA -0.109 62.026 62.100 0.058 0.000 0.996 591 T CB 0.926 69.829 68.868 0.059 0.000 0.927 591 T HN 0.196 nan 8.240 nan 0.000 0.456 592 I N 3.123 123.715 120.570 0.037 0.000 2.460 592 I HA 0.560 4.757 4.170 0.045 0.000 0.298 592 I C 0.183 176.322 176.117 0.036 0.000 0.989 592 I CA -0.906 60.414 61.300 0.033 0.000 1.173 592 I CB 1.488 39.505 38.000 0.029 0.000 1.338 592 I HN 0.485 nan 8.210 nan 0.000 0.456 593 K N 4.462 124.884 120.400 0.036 0.000 2.501 593 K HA 0.584 4.931 4.320 0.045 0.000 0.252 593 K C -1.601 175.021 176.600 0.037 0.000 0.934 593 K CA -0.858 55.451 56.287 0.037 0.000 0.797 593 K CB 2.813 35.333 32.500 0.034 0.000 1.270 593 K HN 0.200 nan 8.250 nan 0.000 0.431 594 L N 2.392 123.640 121.223 0.041 0.000 2.309 594 L HA 0.444 4.811 4.340 0.045 0.000 0.282 594 L C -0.624 176.260 176.870 0.024 0.000 1.036 594 L CA -0.423 54.439 54.840 0.036 0.000 0.806 594 L CB 1.111 43.208 42.059 0.064 0.000 1.220 594 L HN 0.595 nan 8.230 nan 0.000 0.429 595 N N 2.539 121.239 118.700 -0.001 0.000 2.371 595 N HA 0.483 5.249 4.740 0.045 0.000 0.291 595 N C -1.182 174.298 175.510 -0.051 0.000 1.053 595 N CA -0.396 52.649 53.050 -0.008 0.000 0.870 595 N CB 1.307 39.795 38.487 0.002 0.000 1.503 595 N HN 0.452 nan 8.380 nan 0.000 0.485 596 I N 4.622 125.165 120.570 -0.046 0.000 2.452 596 I HA 0.113 4.310 4.170 0.045 0.000 0.287 596 I C 0.963 177.056 176.117 -0.041 0.000 1.079 596 I CA -0.344 60.908 61.300 -0.080 0.000 1.387 596 I CB 0.654 38.641 38.000 -0.022 0.000 1.404 596 I HN 0.585 nan 8.210 nan 0.000 0.522 597 I N 3.651 124.189 120.570 -0.053 0.000 2.628 597 I HA 0.028 4.224 4.170 0.045 0.000 0.255 597 I C 0.956 177.063 176.117 -0.018 0.000 1.119 597 I CA 1.067 62.350 61.300 -0.028 0.000 1.448 597 I CB -0.253 37.730 38.000 -0.029 0.000 1.133 597 I HN 0.715 nan 8.210 nan 0.000 0.438 598 S N 0.640 116.325 115.700 -0.025 0.000 2.547 598 S HA 0.526 5.023 4.470 0.045 0.000 0.270 598 S C -0.947 173.653 174.600 0.001 0.000 1.150 598 S CA -0.813 57.384 58.200 -0.005 0.000 0.850 598 S CB 2.616 65.814 63.200 -0.004 0.000 1.118 598 S HN 0.175 nan 8.310 nan 0.000 0.461 599 N N 0.922 119.640 118.700 0.030 0.000 2.699 599 N HA 0.504 5.271 4.740 0.045 0.000 0.271 599 N C -0.830 174.716 175.510 0.059 0.000 1.216 599 N CA 0.328 53.416 53.050 0.062 0.000 0.844 599 N CB 1.760 40.316 38.487 0.115 0.000 1.462 599 N HN 1.075 nan 8.380 nan 0.000 0.555 600 T N -1.003 113.582 114.554 0.051 0.000 2.693 600 T HA 0.738 5.115 4.350 0.045 0.000 0.278 600 T C 1.047 175.774 174.700 0.045 0.000 0.994 600 T CA -0.042 62.084 62.100 0.044 0.000 1.033 600 T CB 0.777 69.665 68.868 0.033 0.000 1.342 600 T HN 0.158 nan 8.240 nan 0.000 0.538 601 A N -0.222 122.620 122.820 0.037 0.000 2.014 601 A HA 0.050 4.397 4.320 0.045 0.000 0.218 601 A C 2.203 179.809 177.584 0.036 0.000 1.163 601 A CA 0.934 52.992 52.037 0.034 0.000 0.652 601 A CB -0.693 18.323 19.000 0.026 0.000 0.808 601 A HN 0.688 nan 8.150 nan 0.000 0.449 602 Q N -1.611 118.211 119.800 0.037 0.000 2.324 602 Q HA 0.276 4.643 4.340 0.045 0.000 0.207 602 Q C 0.103 176.126 176.000 0.039 0.000 0.928 602 Q CA 0.771 56.597 55.803 0.039 0.000 0.890 602 Q CB 0.495 29.255 28.738 0.036 0.000 1.001 602 Q HN 0.370 nan 8.270 nan 0.000 0.517 603 V N -0.036 119.899 119.914 0.035 0.000 2.888 603 V HA 0.781 4.928 4.120 0.045 0.000 0.309 603 V C -1.944 174.166 176.094 0.027 0.000 1.114 603 V CA -0.712 61.604 62.300 0.027 0.000 0.940 603 V CB 1.974 33.807 31.823 0.017 0.000 1.021 603 V HN 0.144 nan 8.190 nan 0.000 0.426 604 A N 4.830 127.661 122.820 0.019 0.000 2.374 604 A HA 0.897 5.244 4.320 0.045 0.000 0.305 604 A C -0.834 176.730 177.584 -0.033 0.000 1.053 604 A CA -0.581 51.461 52.037 0.008 0.000 0.726 604 A CB 1.507 20.534 19.000 0.046 0.000 1.229 604 A HN 0.837 nan 8.150 nan 0.000 0.431 605 E N 1.168 121.333 120.200 -0.057 0.000 2.216 605 E HA 0.500 4.877 4.350 0.045 0.000 0.260 605 E C -1.763 174.769 176.600 -0.114 0.000 0.880 605 E CA -0.541 55.818 56.400 -0.069 0.000 0.765 605 E CB 2.285 31.959 29.700 -0.044 0.000 1.174 605 E HN 0.490 nan 8.360 nan 0.000 0.417 606 L N 2.216 123.364 121.223 -0.125 0.000 2.408 606 L HA 0.414 4.781 4.340 0.045 0.000 0.268 606 L C -1.138 175.690 176.870 -0.069 0.000 0.986 606 L CA -0.319 54.416 54.840 -0.176 0.000 0.820 606 L CB 1.924 43.786 42.059 -0.328 0.000 1.303 606 L HN 0.419 nan 8.230 nan 0.000 0.411 607 E N 5.032 125.200 120.200 -0.053 0.000 2.158 607 E HA 0.478 4.855 4.350 0.045 0.000 0.271 607 E C -1.146 175.465 176.600 0.018 0.000 0.911 607 E CA -0.411 55.990 56.400 0.002 0.000 0.767 607 E CB 1.876 31.578 29.700 0.004 0.000 1.120 607 E HN 0.482 nan 8.360 nan 0.000 0.405 608 I N 3.185 123.786 120.570 0.053 0.000 2.312 608 I HA 0.152 4.349 4.170 0.045 0.000 0.290 608 I C -0.068 176.075 176.117 0.044 0.000 1.008 608 I CA -0.452 60.883 61.300 0.058 0.000 1.226 608 I CB 1.180 39.236 38.000 0.094 0.000 1.371 608 I HN 0.371 nan 8.210 nan 0.000 0.468 609 Q N 6.593 126.413 119.800 0.033 0.000 2.325 609 Q HA 0.420 4.787 4.340 0.045 0.000 0.262 609 Q C -1.315 174.699 176.000 0.023 0.000 0.968 609 Q CA -0.701 55.116 55.803 0.025 0.000 0.877 609 Q CB 1.426 30.183 28.738 0.031 0.000 1.253 609 Q HN 0.568 nan 8.270 nan 0.000 0.448 610 Q N 1.975 121.779 119.800 0.007 0.000 2.333 610 Q HA 0.446 4.813 4.340 0.045 0.000 0.267 610 Q C -1.316 174.751 176.000 0.111 0.000 1.012 610 Q CA -0.392 55.423 55.803 0.021 0.000 0.824 610 Q CB 2.580 31.274 28.738 -0.072 0.000 1.290 610 Q HN 0.490 nan 8.270 nan 0.000 0.449 611 T N 3.856 118.497 114.554 0.144 0.000 2.791 611 T HA 0.661 5.038 4.350 0.045 0.000 0.288 611 T C -1.138 173.738 174.700 0.294 0.000 0.999 611 T CA -0.542 61.673 62.100 0.191 0.000 0.952 611 T CB -0.051 68.875 68.868 0.097 0.000 0.938 611 T HN 0.491 nan 8.240 nan 0.000 0.444 612 F N 0.749 120.688 119.950 -0.018 0.000 2.599 612 F HA 0.883 5.436 4.527 0.045 0.000 0.311 612 F C -0.316 175.456 175.800 -0.047 0.000 1.076 612 F CA -1.845 56.153 58.000 -0.004 0.000 0.937 612 F CB 1.141 40.164 39.000 0.039 0.000 1.282 612 F HN 0.506 nan 8.300 nan 0.000 0.460 613 A N 4.069 126.849 122.820 -0.067 0.000 2.362 613 A HA 0.653 5.000 4.320 0.045 0.000 0.276 613 A C -0.416 176.874 177.584 -0.489 0.000 1.153 613 A CA -0.485 51.413 52.037 -0.232 0.000 0.813 613 A CB -0.060 18.888 19.000 -0.085 0.000 1.081 613 A HN 0.958 nan 8.150 nan 0.000 0.507 614 I N -0.084 120.090 120.570 -0.659 0.000 2.934 614 I HA 0.684 4.880 4.170 0.045 0.000 0.306 614 I C -2.976 172.745 176.117 -0.660 0.000 1.110 614 I CA -3.213 57.544 61.300 -0.905 0.000 1.019 614 I CB 2.456 39.932 38.000 -0.873 0.000 1.227 614 I HN 0.236 nan 8.210 nan 0.000 0.434 615 P HA 0.111 nan 4.420 nan 0.000 0.265 615 P C 0.921 178.014 177.300 -0.345 0.000 1.193 615 P CA 0.034 62.907 63.100 -0.378 0.000 0.765 615 P CB 0.462 31.999 31.700 -0.272 0.000 0.823 616 I N 0.683 121.104 120.570 -0.248 0.000 2.676 616 I HA -0.039 4.158 4.170 0.045 0.000 0.259 616 I C 0.637 176.646 176.117 -0.179 0.000 1.194 616 I CA 0.769 61.938 61.300 -0.219 0.000 1.473 616 I CB -0.239 37.674 38.000 -0.145 0.000 1.096 616 I HN 0.326 nan 8.210 nan 0.000 0.443 617 S N 0.019 115.636 115.700 -0.138 0.000 2.724 617 S HA 0.792 5.289 4.470 0.045 0.000 0.278 617 S C -0.466 174.106 174.600 -0.047 0.000 1.190 617 S CA -0.472 57.683 58.200 -0.074 0.000 0.860 617 S CB 0.808 63.984 63.200 -0.040 0.000 1.206 617 S HN 0.384 nan 8.310 nan 0.000 0.507 618 A N 0.791 123.606 122.820 -0.008 0.000 2.271 618 A HA 0.652 4.998 4.320 0.045 0.000 0.288 618 A C 0.098 177.681 177.584 -0.003 0.000 1.094 618 A CA -0.025 52.015 52.037 0.004 0.000 0.828 618 A CB -0.587 18.427 19.000 0.023 0.000 1.091 618 A HN 0.974 nan 8.150 nan 0.000 0.493 619 D N -0.080 120.321 120.400 0.001 0.000 2.384 619 D HA 0.375 5.041 4.640 0.045 0.000 0.244 619 D C 1.118 177.415 176.300 -0.005 0.000 1.251 619 D CA 0.314 54.312 54.000 -0.003 0.000 0.961 619 D CB 0.348 41.149 40.800 0.001 0.000 1.116 619 D HN 0.532 nan 8.370 nan 0.000 0.484 620 K N -0.340 120.055 120.400 -0.009 0.000 2.283 620 K HA -0.027 4.320 4.320 0.045 0.000 0.202 620 K C 1.933 178.521 176.600 -0.019 0.000 1.048 620 K CA 1.219 57.498 56.287 -0.013 0.000 0.948 620 K CB -1.035 31.456 32.500 -0.014 0.000 0.742 620 K HN 0.472 nan 8.250 nan 0.000 0.458 621 L N 0.144 121.356 121.223 -0.017 0.000 2.265 621 L HA 0.009 4.376 4.340 0.045 0.000 0.215 621 L C 2.213 179.065 176.870 -0.030 0.000 1.117 621 L CA 1.314 56.139 54.840 -0.024 0.000 0.782 621 L CB -0.395 41.654 42.059 -0.018 0.000 0.914 621 L HN 0.397 nan 8.230 nan 0.000 0.441 622 L N -0.605 120.607 121.223 -0.019 0.000 2.017 622 L HA -0.210 4.157 4.340 0.045 0.000 0.208 622 L C 2.541 179.389 176.870 -0.037 0.000 1.073 622 L CA 1.955 56.786 54.840 -0.016 0.000 0.745 622 L CB -0.864 41.200 42.059 0.008 0.000 0.894 622 L HN 0.413 nan 8.230 nan 0.000 0.432 623 Q N -0.011 119.765 119.800 -0.039 0.000 2.077 623 Q HA -0.211 4.156 4.340 0.045 0.000 0.206 623 Q C 2.188 178.099 176.000 -0.149 0.000 0.989 623 Q CA 2.519 58.278 55.803 -0.073 0.000 0.853 623 Q CB -0.690 28.021 28.738 -0.045 0.000 0.907 623 Q HN 0.615 nan 8.270 nan 0.000 0.418 624 A N 0.220 122.971 122.820 -0.114 0.000 1.908 624 A HA -0.243 4.104 4.320 0.045 0.000 0.218 624 A C 1.962 179.459 177.584 -0.145 0.000 1.181 624 A CA 1.854 53.814 52.037 -0.128 0.000 0.627 624 A CB -0.654 18.296 19.000 -0.084 0.000 0.818 624 A HN 0.588 nan 8.150 nan 0.000 0.445 625 E N -0.770 119.363 120.200 -0.111 0.000 2.150 625 E HA -0.124 4.253 4.350 0.045 0.000 0.193 625 E C 2.099 178.625 176.600 -0.124 0.000 0.985 625 E CA 1.239 57.581 56.400 -0.097 0.000 0.814 625 E CB -0.230 29.433 29.700 -0.061 0.000 0.752 625 E HN 0.665 nan 8.360 nan 0.000 0.466 626 M N 0.348 119.853 119.600 -0.158 0.000 2.156 626 M HA -0.129 4.378 4.480 0.045 0.000 0.264 626 M C 2.018 178.037 176.300 -0.470 0.000 1.067 626 M CA 1.324 56.514 55.300 -0.183 0.000 1.131 626 M CB -0.196 32.358 32.600 -0.077 0.000 1.368 626 M HN 0.055 nan 8.290 nan 0.000 0.416 627 E N 0.587 120.373 120.200 -0.691 0.000 2.110 627 E HA -0.135 4.241 4.350 0.045 0.000 0.193 627 E C 1.803 178.181 176.600 -0.371 0.000 0.988 627 E CA 1.266 57.189 56.400 -0.795 0.000 0.804 627 E CB -0.076 29.282 29.700 -0.571 0.000 0.745 627 E HN 0.478 nan 8.360 nan 0.000 0.458 628 A N 0.499 123.174 122.820 -0.242 0.000 2.251 628 A HA 0.117 4.463 4.320 0.045 0.000 0.209 628 A C 0.986 178.504 177.584 -0.110 0.000 1.187 628 A CA 0.065 52.015 52.037 -0.146 0.000 0.823 628 A CB 0.175 19.107 19.000 -0.113 0.000 0.846 628 A HN 0.075 nan 8.150 nan 0.000 0.486 629 V N 0.262 120.106 119.914 -0.117 0.000 5.925 629 V HA -0.200 3.947 4.120 0.045 0.000 0.321 629 V C -0.071 175.995 176.094 -0.045 0.000 0.499 629 V CA 0.380 62.644 62.300 -0.061 0.000 0.667 629 V CB -2.324 29.470 31.823 -0.049 0.000 0.336 629 V HN 0.503 nan 8.190 nan 0.000 1.132 630 I N 1.162 121.700 120.570 -0.055 0.000 2.556 630 I HA 0.195 4.392 4.170 0.045 0.000 0.284 630 I C 0.982 177.078 176.117 -0.035 0.000 1.114 630 I CA 0.154 61.424 61.300 -0.049 0.000 1.418 630 I CB 0.563 38.529 38.000 -0.058 0.000 1.394 630 I HN 0.512 nan 8.210 nan 0.000 0.552 631 D N 4.297 124.674 120.400 -0.038 0.000 2.472 631 D HA -0.011 4.656 4.640 0.045 0.000 0.237 631 D C 1.459 177.721 176.300 -0.063 0.000 1.141 631 D CA -0.155 53.828 54.000 -0.028 0.000 0.875 631 D CB 0.882 41.663 40.800 -0.032 0.000 1.192 631 D HN 0.461 nan 8.370 nan 0.000 0.450 632 I N 0.888 121.425 120.570 -0.055 0.000 2.335 632 I HA -0.155 4.042 4.170 0.045 0.000 0.251 632 I C 2.000 177.963 176.117 -0.256 0.000 1.129 632 I CA 1.675 62.912 61.300 -0.105 0.000 1.402 632 I CB -1.448 36.523 38.000 -0.048 0.000 1.069 632 I HN 0.511 nan 8.210 nan 0.000 0.424 633 T N -2.119 112.190 114.554 -0.408 0.000 3.072 633 T HA 0.005 4.381 4.350 0.045 0.000 0.266 633 T C 1.482 175.980 174.700 -0.336 0.000 1.127 633 T CA 1.211 62.939 62.100 -0.620 0.000 1.107 633 T CB -0.539 67.803 68.868 -0.876 0.000 0.910 633 T HN 0.611 nan 8.240 nan 0.000 0.513 634 E N 0.188 120.262 120.200 -0.209 0.000 2.481 634 E HA 0.173 4.550 4.350 0.045 0.000 0.198 634 E C 0.342 176.883 176.600 -0.099 0.000 1.027 634 E CA -0.372 55.947 56.400 -0.134 0.000 0.900 634 E CB 0.402 30.043 29.700 -0.100 0.000 0.993 634 E HN 0.476 nan 8.360 nan 0.000 0.482 635 R N 1.376 121.816 120.500 -0.101 0.000 2.489 635 R HA 0.087 4.454 4.340 0.045 0.000 0.287 635 R C 0.741 177.012 176.300 -0.048 0.000 1.053 635 R CA 0.259 56.320 56.100 -0.064 0.000 1.036 635 R CB 0.531 30.800 30.300 -0.051 0.000 0.966 635 R HN 0.090 nan 8.270 nan 0.000 0.432 636 Q N 0.990 120.770 119.800 -0.032 0.000 2.247 636 Q HA 0.156 4.522 4.340 0.045 0.000 0.211 636 Q C 0.196 176.194 176.000 -0.003 0.000 0.861 636 Q CA -0.110 55.684 55.803 -0.016 0.000 0.949 636 Q CB 1.147 29.878 28.738 -0.013 0.000 1.115 636 Q HN 0.639 nan 8.270 nan 0.000 0.507 637 A N 1.510 124.326 122.820 -0.006 0.000 2.466 637 A HA 0.354 4.700 4.320 0.045 0.000 0.238 637 A C 0.174 177.769 177.584 0.019 0.000 1.074 637 A CA 0.269 52.309 52.037 0.004 0.000 0.774 637 A CB 0.397 19.398 19.000 0.002 0.000 1.015 637 A HN 0.196 nan 8.150 nan 0.000 0.498 638 R N -0.292 120.223 120.500 0.025 0.000 2.855 638 R HA 0.430 4.796 4.340 0.045 0.000 0.266 638 R C -0.488 175.833 176.300 0.035 0.000 1.034 638 R CA -1.006 55.118 56.100 0.039 0.000 0.944 638 R CB 1.493 31.821 30.300 0.047 0.000 1.219 638 R HN 0.839 nan 8.270 nan 0.000 0.474 639 R N 0.494 121.023 120.500 0.048 0.000 2.694 639 R HA 0.116 4.483 4.340 0.045 0.000 0.268 639 R C 0.115 176.425 176.300 0.016 0.000 1.061 639 R CA -0.041 56.078 56.100 0.033 0.000 1.133 639 R CB 0.486 30.823 30.300 0.061 0.000 1.020 639 R HN 0.686 nan 8.270 nan 0.000 0.475 640 S N 1.239 116.929 115.700 -0.016 0.000 2.593 640 S HA 0.014 4.511 4.470 0.045 0.000 0.269 640 S C 0.963 175.552 174.600 -0.018 0.000 1.334 640 S CA -0.753 57.435 58.200 -0.021 0.000 1.015 640 S CB 1.291 64.467 63.200 -0.040 0.000 0.912 640 S HN 0.525 nan 8.310 nan 0.000 0.541 641 Q N 0.376 120.170 119.800 -0.010 0.000 2.230 641 Q HA 0.050 4.417 4.340 0.045 0.000 0.202 641 Q C 0.505 176.490 176.000 -0.026 0.000 0.963 641 Q CA 0.750 56.552 55.803 -0.002 0.000 0.866 641 Q CB -0.217 28.523 28.738 0.003 0.000 0.931 641 Q HN 0.890 nan 8.270 nan 0.000 0.452 642 E N 1.550 121.723 120.200 -0.044 0.000 2.290 642 E HA 0.091 4.468 4.350 0.045 0.000 0.277 642 E C -0.728 175.809 176.600 -0.105 0.000 1.035 642 E CA 0.117 56.480 56.400 -0.061 0.000 0.873 642 E CB 0.540 30.208 29.700 -0.054 0.000 1.029 642 E HN -0.064 nan 8.360 nan 0.000 0.419 643 K N 1.932 122.262 120.400 -0.117 0.000 2.281 643 K HA 0.725 5.072 4.320 0.045 0.000 0.242 643 K C -1.092 175.410 176.600 -0.164 0.000 0.971 643 K CA -0.967 55.210 56.287 -0.183 0.000 0.834 643 K CB 2.110 34.492 32.500 -0.196 0.000 1.181 643 K HN 0.495 nan 8.250 nan 0.000 0.435 644 A N 1.261 123.953 122.820 -0.214 0.000 2.479 644 A HA 0.413 4.760 4.320 0.045 0.000 0.296 644 A C -1.190 176.267 177.584 -0.212 0.000 1.121 644 A CA -0.733 51.199 52.037 -0.175 0.000 0.743 644 A CB 1.045 19.952 19.000 -0.155 0.000 1.323 644 A HN 0.718 nan 8.150 nan 0.000 0.415 645 E N 0.136 120.246 120.200 -0.151 0.000 2.259 645 E HA 0.365 4.741 4.350 0.045 0.000 0.281 645 E C -1.296 175.206 176.600 -0.163 0.000 1.037 645 E CA -0.304 56.009 56.400 -0.145 0.000 0.854 645 E CB 1.356 31.017 29.700 -0.066 0.000 1.051 645 E HN 0.409 nan 8.360 nan 0.000 0.409 646 L N 3.005 124.079 121.223 -0.248 0.000 2.322 646 L HA 0.368 4.735 4.340 0.045 0.000 0.281 646 L C -0.775 176.066 176.870 -0.049 0.000 1.014 646 L CA -0.092 54.621 54.840 -0.212 0.000 0.815 646 L CB 2.013 43.818 42.059 -0.424 0.000 1.247 646 L HN 0.326 nan 8.230 nan 0.000 0.421 647 T N 6.310 120.879 114.554 0.024 0.000 2.809 647 T HA 0.549 4.925 4.350 0.045 0.000 0.296 647 T C -0.346 174.413 174.700 0.099 0.000 1.015 647 T CA -0.293 61.855 62.100 0.079 0.000 0.954 647 T CB 0.443 69.350 68.868 0.064 0.000 0.950 647 T HN 0.414 nan 8.240 nan 0.000 0.450 648 L N 3.041 124.302 121.223 0.063 0.000 2.307 648 L HA 0.590 4.957 4.340 0.045 0.000 0.282 648 L C 0.374 177.244 176.870 -0.000 0.000 1.051 648 L CA -0.733 54.113 54.840 0.009 0.000 0.804 648 L CB 1.158 43.062 42.059 -0.259 0.000 1.197 648 L HN 0.498 nan 8.230 nan 0.000 0.431 649 T N 0.828 115.411 114.554 0.049 0.000 2.786 649 T HA 0.406 4.783 4.350 0.045 0.000 0.283 649 T C -0.202 174.531 174.700 0.055 0.000 0.992 649 T CA -0.460 61.664 62.100 0.039 0.000 0.954 649 T CB 1.488 70.386 68.868 0.050 0.000 0.934 649 T HN 0.490 nan 8.240 nan 0.000 0.440 650 T N 3.939 118.534 114.554 0.068 0.000 2.791 650 T HA 0.450 4.827 4.350 0.045 0.000 0.288 650 T C -0.293 174.491 174.700 0.139 0.000 0.999 650 T CA -0.566 61.622 62.100 0.147 0.000 0.952 650 T CB 0.737 69.760 68.868 0.257 0.000 0.938 650 T HN 0.437 nan 8.240 nan 0.000 0.444 651 L N 5.534 126.827 121.223 0.116 0.000 2.260 651 L HA 0.544 4.911 4.340 0.045 0.000 0.289 651 L C -0.688 176.236 176.870 0.092 0.000 1.057 651 L CA -0.647 54.236 54.840 0.071 0.000 0.811 651 L CB 0.192 42.268 42.059 0.027 0.000 1.184 651 L HN 0.620 nan 8.230 nan 0.000 0.429 652 I N 5.879 126.496 120.570 0.079 0.000 2.331 652 I HA 0.371 4.568 4.170 0.045 0.000 0.292 652 I C 0.083 176.153 176.117 -0.077 0.000 0.998 652 I CA -0.327 60.984 61.300 0.019 0.000 1.267 652 I CB 1.183 39.242 38.000 0.099 0.000 1.386 652 I HN 0.593 nan 8.210 nan 0.000 0.476 653 R N 7.975 128.384 120.500 -0.152 0.000 2.393 653 R HA 0.597 4.964 4.340 0.045 0.000 0.315 653 R C -1.290 174.939 176.300 -0.118 0.000 0.952 653 R CA -0.645 55.389 56.100 -0.111 0.000 0.842 653 R CB 1.606 31.851 30.300 -0.092 0.000 1.163 653 R HN 0.706 nan 8.270 nan 0.000 0.450 654 M N 3.914 123.479 119.600 -0.058 0.000 2.311 654 M HA 0.365 4.872 4.480 0.045 0.000 0.325 654 M C -1.291 175.014 176.300 0.009 0.000 1.061 654 M CA -0.364 54.923 55.300 -0.021 0.000 0.957 654 M CB 1.842 34.453 32.600 0.018 0.000 1.646 654 M HN 0.623 nan 8.290 nan 0.000 0.434 655 E N 2.625 122.838 120.200 0.023 0.000 2.221 655 E HA 0.246 4.623 4.350 0.045 0.000 0.268 655 E C -0.127 176.524 176.600 0.084 0.000 0.933 655 E CA -0.607 55.819 56.400 0.044 0.000 0.809 655 E CB 2.429 32.149 29.700 0.034 0.000 1.190 655 E HN 0.674 nan 8.360 nan 0.000 0.406 656 K N 1.697 122.145 120.400 0.080 0.000 2.032 656 K HA -0.183 4.164 4.320 0.045 0.000 0.209 656 K C 0.724 177.412 176.600 0.146 0.000 1.048 656 K CA 1.837 58.178 56.287 0.089 0.000 0.927 656 K CB -0.005 32.529 32.500 0.058 0.000 0.712 656 K HN 0.378 nan 8.250 nan 0.000 0.441 657 N N 0.283 119.080 118.700 0.162 0.000 2.270 657 N HA 0.000 4.767 4.740 0.045 0.000 0.198 657 N C -0.703 175.003 175.510 0.326 0.000 1.117 657 N CA -0.300 52.902 53.050 0.253 0.000 0.845 657 N CB 0.363 38.944 38.487 0.157 0.000 0.980 657 N HN 0.076 nan 8.380 nan 0.000 0.486 658 N N 1.046 119.867 118.700 0.201 0.000 2.425 658 N HA 0.182 4.949 4.740 0.045 0.000 0.268 658 N C -1.930 173.472 175.510 -0.181 0.000 0.991 658 N CA -2.169 50.874 53.050 -0.010 0.000 0.931 658 N CB 1.507 39.985 38.487 -0.015 0.000 1.130 658 N HN -0.008 nan 8.380 nan 0.000 0.493 659 P HA 0.004 nan 4.420 nan 0.000 0.236 659 P C 0.028 177.107 177.300 -0.368 0.000 1.177 659 P CA 0.383 62.957 63.100 -0.877 0.000 0.773 659 P CB 0.619 31.524 31.700 -1.325 0.000 0.878 660 R N 0.798 121.123 120.500 -0.291 0.000 2.221 660 R HA 0.358 4.725 4.340 0.045 0.000 0.327 660 R C -0.822 175.390 176.300 -0.146 0.000 1.033 660 R CA -0.748 55.226 56.100 -0.210 0.000 0.887 660 R CB 0.137 30.307 30.300 -0.217 0.000 1.057 660 R HN -0.052 nan 8.270 nan 0.000 0.455 661 L N 4.362 125.511 121.223 -0.124 0.000 2.264 661 L HA 0.253 4.620 4.340 0.045 0.000 0.289 661 L C -0.635 175.944 176.870 -0.486 0.000 1.044 661 L CA 0.183 54.878 54.840 -0.242 0.000 0.807 661 L CB 1.528 43.484 42.059 -0.171 0.000 1.192 661 L HN 0.634 nan 8.230 nan 0.000 0.425 662 Q N 4.349 123.872 119.800 -0.461 0.000 2.256 662 Q HA 0.472 4.839 4.340 0.045 0.000 0.254 662 Q C -1.453 174.183 176.000 -0.606 0.000 0.916 662 Q CA -0.183 55.367 55.803 -0.421 0.000 0.932 662 Q CB 1.459 30.077 28.738 -0.200 0.000 1.207 662 Q HN 0.459 nan 8.270 nan 0.000 0.426 663 F N 0.277 120.089 119.950 -0.231 0.000 2.508 663 F HA 0.464 5.018 4.527 0.044 0.000 0.325 663 F C 0.078 175.642 175.800 -0.393 0.000 1.090 663 F CA -0.756 57.023 58.000 -0.368 0.000 0.945 663 F CB 2.283 40.842 39.000 -0.735 0.000 1.156 663 F HN 0.234 nan 8.300 nan 0.000 0.463 664 T N 1.246 115.807 114.554 0.011 0.000 3.008 664 T HA 0.304 4.681 4.350 0.045 0.000 0.328 664 T C -0.523 174.261 174.700 0.140 0.000 1.020 664 T CA -0.627 61.499 62.100 0.043 0.000 1.043 664 T CB 0.934 69.809 68.868 0.011 0.000 1.010 664 T HN 0.467 nan 8.240 nan 0.000 0.466 665 T N 4.350 119.065 114.554 0.268 0.000 2.771 665 T HA 0.458 4.835 4.350 0.045 0.000 0.291 665 T C 0.102 174.921 174.700 0.200 0.000 0.954 665 T CA -0.565 61.714 62.100 0.299 0.000 1.045 665 T CB 0.730 69.896 68.868 0.496 0.000 0.917 665 T HN 0.380 nan 8.240 nan 0.000 0.484 666 R N 3.488 124.077 120.500 0.148 0.000 2.599 666 R HA 0.679 5.046 4.340 0.045 0.000 0.295 666 R C -1.493 174.899 176.300 0.155 0.000 0.963 666 R CA -0.670 55.448 56.100 0.030 0.000 0.883 666 R CB 0.938 31.254 30.300 0.026 0.000 1.171 666 R HN 0.652 nan 8.270 nan 0.000 0.450 667 F N -0.249 119.747 119.950 0.076 0.000 2.807 667 F HA 0.351 4.904 4.527 0.044 0.000 0.316 667 F C -1.746 174.113 175.800 0.098 0.000 1.162 667 F CA -1.382 56.657 58.000 0.065 0.000 0.910 667 F CB 1.038 40.069 39.000 0.051 0.000 1.314 667 F HN 0.296 nan 8.300 nan 0.000 0.454 668 D N 1.801 122.406 120.400 0.342 0.000 2.427 668 D HA 0.201 4.868 4.640 0.045 0.000 0.226 668 D C -1.099 175.413 176.300 0.354 0.000 1.076 668 D CA -0.138 54.006 54.000 0.240 0.000 0.849 668 D CB 0.663 41.532 40.800 0.115 0.000 1.052 668 D HN 0.672 nan 8.370 nan 0.000 0.515 669 N N 2.896 121.877 118.700 0.470 0.000 2.420 669 N HA 0.047 4.814 4.740 0.045 0.000 0.262 669 N C -0.113 175.529 175.510 0.221 0.000 1.144 669 N CA 0.182 53.480 53.050 0.413 0.000 0.952 669 N CB 0.608 39.404 38.487 0.515 0.000 1.081 669 N HN 0.235 nan 8.380 nan 0.000 0.480 670 Q N 2.672 122.543 119.800 0.118 0.000 2.084 670 Q HA 0.260 4.627 4.340 0.045 0.000 0.230 670 Q C -0.912 175.077 176.000 -0.019 0.000 0.806 670 Q CA -0.020 55.811 55.803 0.046 0.000 1.083 670 Q CB 0.252 28.999 28.738 0.016 0.000 1.208 670 Q HN 0.642 nan 8.270 nan 0.000 0.462 671 M N 0.176 119.754 119.600 -0.037 0.000 2.530 671 M HA 0.425 4.932 4.480 0.045 0.000 0.307 671 M C -0.008 176.265 176.300 -0.046 0.000 1.161 671 M CA -0.396 54.784 55.300 -0.201 0.000 0.903 671 M CB 2.227 34.474 32.600 -0.589 0.000 1.711 671 M HN -0.040 nan 8.290 nan 0.000 0.451 672 T N -2.009 112.528 114.554 -0.029 0.000 2.940 672 T HA 0.632 5.009 4.350 0.045 0.000 0.288 672 T C -0.093 174.703 174.700 0.161 0.000 1.033 672 T CA -0.897 61.277 62.100 0.123 0.000 1.033 672 T CB 0.758 69.668 68.868 0.071 0.000 1.079 672 T HN 0.781 nan 8.240 nan 0.000 0.496 673 N N 1.124 119.939 118.700 0.191 0.000 2.714 673 N HA -0.185 4.582 4.740 0.045 0.000 0.253 673 N C -0.559 175.072 175.510 0.202 0.000 1.024 673 N CA 1.338 54.479 53.050 0.151 0.000 0.726 673 N CB -1.667 36.876 38.487 0.093 0.000 0.908 673 N HN 1.072 nan 8.380 nan 0.000 0.542 674 H N -2.405 116.670 119.070 0.008 0.000 2.977 674 H HA 0.721 5.304 4.556 0.045 0.000 0.350 674 H C -0.646 174.687 175.328 0.008 0.000 1.238 674 H CA -1.407 54.639 56.048 -0.003 0.000 1.124 674 H CB 1.514 31.247 29.762 -0.047 0.000 1.866 674 H HN 0.131 nan 8.280 nan 0.000 0.550 675 R N 1.708 122.164 120.500 -0.072 0.000 2.621 675 R HA 0.495 4.862 4.340 0.045 0.000 0.292 675 R C -1.972 174.279 176.300 -0.081 0.000 0.969 675 R CA -1.136 54.889 56.100 -0.125 0.000 0.887 675 R CB 1.861 32.144 30.300 -0.029 0.000 1.180 675 R HN 0.642 nan 8.270 nan 0.000 0.450 676 L N 4.154 125.313 121.223 -0.107 0.000 2.333 676 L HA 0.568 4.935 4.340 0.045 0.000 0.280 676 L C -0.943 175.948 176.870 0.035 0.000 1.004 676 L CA -0.213 54.618 54.840 -0.016 0.000 0.820 676 L CB 1.367 43.369 42.059 -0.096 0.000 1.247 676 L HN 0.636 nan 8.230 nan 0.000 0.416 677 R N 3.203 123.742 120.500 0.066 0.000 2.854 677 R HA 0.745 5.111 4.340 0.045 0.000 0.271 677 R C -1.613 174.685 176.300 -0.004 0.000 0.996 677 R CA -1.077 55.038 56.100 0.025 0.000 0.961 677 R CB 2.531 32.830 30.300 -0.003 0.000 1.182 677 R HN 0.441 nan 8.270 nan 0.000 0.479 678 V N 4.068 123.886 119.914 -0.161 0.000 2.448 678 V HA 0.482 4.629 4.120 0.045 0.000 0.295 678 V C -0.918 174.889 176.094 -0.478 0.000 1.025 678 V CA -0.675 61.325 62.300 -0.499 0.000 0.859 678 V CB 1.384 32.777 31.823 -0.716 0.000 0.988 678 V HN 0.503 nan 8.190 nan 0.000 0.431 679 L N 6.746 127.614 121.223 -0.591 0.000 2.317 679 L HA 0.604 4.971 4.340 0.045 0.000 0.281 679 L C -1.192 175.296 176.870 -0.636 0.000 1.024 679 L CA -0.406 54.188 54.840 -0.411 0.000 0.810 679 L CB 1.771 43.679 42.059 -0.252 0.000 1.240 679 L HN 0.570 nan 8.230 nan 0.000 0.427 680 F N 2.857 122.716 119.950 -0.151 0.000 2.443 680 F HA 0.359 4.913 4.527 0.044 0.000 0.369 680 F C -2.184 173.560 175.800 -0.094 0.000 1.090 680 F CA -2.205 55.730 58.000 -0.109 0.000 1.129 680 F CB 1.183 40.166 39.000 -0.029 0.000 1.367 680 F HN 0.210 nan 8.300 nan 0.000 0.465 681 P HA 0.123 nan 4.420 nan 0.000 0.276 681 P C 0.744 178.083 177.300 0.065 0.000 1.253 681 P CA 0.022 63.090 63.100 -0.053 0.000 0.766 681 P CB 1.178 32.839 31.700 -0.066 0.000 0.845 682 T N -1.183 113.375 114.554 0.007 0.000 3.000 682 T HA -0.016 4.361 4.350 0.045 0.000 0.248 682 T C 0.857 175.759 174.700 0.336 0.000 1.034 682 T CA 0.195 62.425 62.100 0.216 0.000 1.060 682 T CB -0.757 68.168 68.868 0.095 0.000 0.983 682 T HN 0.464 nan 8.240 nan 0.000 0.482 683 H N 0.899 120.051 119.070 0.137 0.000 2.921 683 H HA -0.105 4.478 4.556 0.044 0.000 0.281 683 H C -0.277 175.094 175.328 0.071 0.000 1.165 683 H CA 0.715 56.813 56.048 0.083 0.000 1.151 683 H CB -2.228 27.573 29.762 0.065 0.000 1.311 683 H HN 0.447 nan 8.280 nan 0.000 0.361 684 L N 0.861 122.172 121.223 0.146 0.000 2.426 684 L HA 0.228 4.595 4.340 0.045 0.000 0.271 684 L C 1.319 178.207 176.870 0.031 0.000 1.169 684 L CA 0.577 55.469 54.840 0.086 0.000 0.836 684 L CB 0.394 42.495 42.059 0.070 0.000 1.112 684 L HN 0.296 nan 8.230 nan 0.000 0.465 685 K N 2.227 122.630 120.400 0.004 0.000 2.171 685 K HA 0.467 4.813 4.320 0.045 0.000 0.274 685 K C -0.156 176.416 176.600 -0.046 0.000 1.110 685 K CA -0.147 56.134 56.287 -0.009 0.000 0.952 685 K CB 0.685 33.180 32.500 -0.009 0.000 1.309 685 K HN 0.639 nan 8.250 nan 0.000 0.414 686 T N -0.260 114.265 114.554 -0.050 0.000 2.886 686 T HA 0.361 4.738 4.350 0.045 0.000 0.330 686 T C -0.915 173.749 174.700 -0.059 0.000 1.488 686 T CA -0.392 61.639 62.100 -0.116 0.000 1.054 686 T CB 1.432 70.152 68.868 -0.246 0.000 1.348 686 T HN 0.405 nan 8.240 nan 0.000 0.489 687 D N 0.840 121.217 120.400 -0.038 0.000 2.389 687 D HA 0.151 4.818 4.640 0.045 0.000 0.206 687 D C 0.606 176.996 176.300 0.149 0.000 1.055 687 D CA 0.415 54.472 54.000 0.096 0.000 0.856 687 D CB 0.192 41.079 40.800 0.145 0.000 0.957 687 D HN 0.711 nan 8.370 nan 0.000 0.509 688 H N -0.728 118.415 119.070 0.122 0.000 2.771 688 H HA 0.471 5.048 4.556 0.036 0.000 0.367 688 H C -0.335 175.097 175.328 0.173 0.000 1.172 688 H CA -0.649 55.472 56.048 0.122 0.000 1.186 688 H CB 1.656 31.458 29.762 0.067 0.000 1.790 688 H HN 0.002 nan 8.280 nan 0.000 0.556 689 H N 0.543 119.731 119.070 0.197 0.000 2.907 689 H HA 0.546 5.130 4.556 0.047 0.000 0.361 689 H C -1.519 173.901 175.328 0.155 0.000 1.194 689 H CA -1.266 54.861 56.048 0.131 0.000 1.152 689 H CB 2.034 31.830 29.762 0.056 0.000 1.867 689 H HN 0.485 nan 8.280 nan 0.000 0.561 690 L N 1.399 122.685 121.223 0.104 0.000 2.349 690 L HA 0.649 5.016 4.340 0.045 0.000 0.278 690 L C -0.202 176.632 176.870 -0.060 0.000 0.996 690 L CA -0.839 54.002 54.840 0.002 0.000 0.825 690 L CB 1.711 43.818 42.059 0.081 0.000 1.243 690 L HN 0.821 nan 8.230 nan 0.000 0.412 691 A N 1.570 124.296 122.820 -0.155 0.000 2.337 691 A HA 0.496 4.843 4.320 0.045 0.000 0.329 691 A C -0.906 176.404 177.584 -0.457 0.000 1.146 691 A CA -0.566 51.297 52.037 -0.289 0.000 0.800 691 A CB 1.198 20.137 19.000 -0.102 0.000 1.220 691 A HN 0.649 nan 8.150 nan 0.000 0.472 692 D N 1.276 121.139 120.400 -0.896 0.000 2.346 692 D HA 0.414 5.081 4.640 0.045 0.000 0.260 692 D C 0.307 176.398 176.300 -0.348 0.000 1.252 692 D CA 1.072 54.526 54.000 -0.909 0.000 0.895 692 D CB 0.644 40.585 40.800 -1.432 0.000 1.097 692 D HN 0.403 nan 8.370 nan 0.000 0.489 693 S N 2.881 118.479 115.700 -0.169 0.000 2.837 693 S HA 0.516 5.013 4.470 0.045 0.000 0.314 693 S C -0.520 174.032 174.600 -0.081 0.000 1.098 693 S CA -0.854 57.339 58.200 -0.010 0.000 0.903 693 S CB 0.459 63.723 63.200 0.107 0.000 1.310 693 S HN 0.311 nan 8.310 nan 0.000 0.581 694 I N 3.212 123.744 120.570 -0.062 0.000 2.483 694 I HA 0.219 4.416 4.170 0.045 0.000 0.291 694 I C -0.236 175.762 176.117 -0.199 0.000 1.112 694 I CA 0.507 61.686 61.300 -0.202 0.000 1.350 694 I CB -1.737 36.159 38.000 -0.172 0.000 1.419 694 I HN 0.706 nan 8.210 nan 0.000 0.523 695 F N 3.494 123.152 119.950 -0.487 0.000 3.090 695 F HA -0.277 4.275 4.527 0.043 0.000 0.282 695 F C 0.765 176.142 175.800 -0.705 0.000 0.923 695 F CA 1.199 58.583 58.000 -1.027 0.000 0.977 695 F CB -1.392 37.232 39.000 -0.627 0.000 0.954 695 F HN 0.740 nan 8.300 nan 0.000 0.695 696 E N -2.710 117.372 120.200 -0.196 0.000 2.388 696 E HA 0.492 4.868 4.350 0.045 0.000 0.281 696 E C -1.103 175.591 176.600 0.157 0.000 1.046 696 E CA -1.035 55.441 56.400 0.125 0.000 0.825 696 E CB 1.422 31.165 29.700 0.071 0.000 1.243 696 E HN -0.094 nan 8.360 nan 0.000 0.438 697 T N 1.958 116.643 114.554 0.218 0.000 2.910 697 T HA 0.256 4.633 4.350 0.045 0.000 0.323 697 T C -0.366 174.372 174.700 0.063 0.000 1.091 697 T CA -0.476 61.688 62.100 0.108 0.000 0.960 697 T CB 0.631 69.612 68.868 0.188 0.000 1.024 697 T HN 0.381 nan 8.240 nan 0.000 0.509 698 V N 3.348 123.265 119.914 0.004 0.000 2.555 698 V HA 0.588 4.735 4.120 0.045 0.000 0.286 698 V C 0.479 176.547 176.094 -0.043 0.000 1.044 698 V CA -0.428 61.876 62.300 0.007 0.000 1.026 698 V CB 0.230 32.068 31.823 0.025 0.000 0.981 698 V HN 0.918 nan 8.190 nan 0.000 0.480 699 K N 6.513 126.895 120.400 -0.031 0.000 2.297 699 K HA 0.642 4.989 4.320 0.045 0.000 0.286 699 K C -0.142 176.391 176.600 -0.112 0.000 1.053 699 K CA -0.347 55.896 56.287 -0.074 0.000 0.940 699 K CB 0.456 32.911 32.500 -0.075 0.000 1.019 699 K HN 0.868 nan 8.250 nan 0.000 0.475 700 R N 2.677 123.022 120.500 -0.258 0.000 2.744 700 R HA 0.463 4.830 4.340 0.045 0.000 0.279 700 R C -2.685 173.557 176.300 -0.097 0.000 0.977 700 R CA -2.041 53.920 56.100 -0.232 0.000 0.906 700 R CB 2.584 32.672 30.300 -0.354 0.000 1.197 700 R HN 0.507 nan 8.270 nan 0.000 0.463 701 P HA 0.050 nan 4.420 nan 0.000 0.275 701 P C -0.583 176.851 177.300 0.222 0.000 1.227 701 P CA -0.246 62.945 63.100 0.152 0.000 0.781 701 P CB 0.775 32.541 31.700 0.110 0.000 0.906 702 N N 0.371 119.204 118.700 0.222 0.000 2.396 702 N HA -0.086 4.681 4.740 0.045 0.000 0.180 702 N C 0.125 175.545 175.510 -0.149 0.000 1.028 702 N CA 1.064 54.151 53.050 0.063 0.000 0.893 702 N CB -0.578 37.906 38.487 -0.005 0.000 0.967 702 N HN 0.607 nan 8.380 nan 0.000 0.440 703 H N -0.010 119.045 119.070 -0.026 0.000 2.457 703 H HA 0.329 4.909 4.556 0.041 0.000 0.335 703 H C -1.905 173.324 175.328 -0.165 0.000 1.115 703 H CA -1.639 54.356 56.048 -0.089 0.000 1.219 703 H CB 1.321 31.056 29.762 -0.044 0.000 1.471 703 H HN 0.029 nan 8.280 nan 0.000 0.491 704 P HA -0.063 nan 4.420 nan 0.000 0.273 704 P C -0.152 177.076 177.300 -0.120 0.000 1.250 704 P CA -0.337 62.486 63.100 -0.462 0.000 0.793 704 P CB 0.873 31.856 31.700 -1.195 0.000 1.011 705 D N 0.508 120.905 120.400 -0.004 0.000 2.349 705 D HA 0.110 4.777 4.640 0.045 0.000 0.266 705 D C 1.274 177.709 176.300 0.224 0.000 1.293 705 D CA 0.055 54.166 54.000 0.184 0.000 0.926 705 D CB 0.604 41.617 40.800 0.355 0.000 1.090 705 D HN 0.287 nan 8.370 nan 0.000 0.502 706 A N 3.380 126.270 122.820 0.117 0.000 2.019 706 A HA -0.156 4.190 4.320 0.045 0.000 0.219 706 A C 2.096 179.697 177.584 0.029 0.000 1.164 706 A CA 1.430 53.518 52.037 0.084 0.000 0.644 706 A CB -0.254 18.761 19.000 0.025 0.000 0.805 706 A HN 0.611 nan 8.150 nan 0.000 0.449 707 T N -0.963 113.557 114.554 -0.058 0.000 2.788 707 T HA -0.093 4.284 4.350 0.045 0.000 0.268 707 T C 1.209 175.649 174.700 -0.433 0.000 1.044 707 T CA 1.799 63.689 62.100 -0.349 0.000 1.139 707 T CB -0.332 68.155 68.868 -0.635 0.000 0.867 707 T HN 0.537 nan 8.240 nan 0.000 0.454 708 F N -1.884 118.154 119.950 0.146 0.000 2.637 708 F HA 0.351 4.901 4.527 0.038 0.000 0.284 708 F C 0.773 176.667 175.800 0.156 0.000 1.105 708 F CA -1.406 56.681 58.000 0.145 0.000 1.356 708 F CB 0.189 39.287 39.000 0.164 0.000 1.096 708 F HN 0.135 nan 8.300 nan 0.000 0.616 709 W N 2.858 124.256 121.300 0.164 0.000 2.419 709 W HA 0.314 5.007 4.660 0.054 0.000 0.312 709 W C 0.736 177.254 176.519 -0.001 0.000 1.323 709 W CA 0.382 57.759 57.345 0.053 0.000 1.293 709 W CB 0.745 30.216 29.460 0.018 0.000 1.324 709 W HN 0.065 nan 8.180 nan 0.000 0.512 710 K N 4.201 124.468 120.400 -0.221 0.000 2.313 710 K HA -0.049 4.297 4.320 0.045 0.000 0.197 710 K C 0.654 177.098 176.600 -0.259 0.000 1.061 710 K CA 0.137 56.364 56.287 -0.101 0.000 0.980 710 K CB -0.496 32.033 32.500 0.049 0.000 0.888 710 K HN 0.487 nan 8.250 nan 0.000 0.502 711 N N 1.955 120.100 118.700 -0.924 0.000 2.411 711 N HA 0.000 4.767 4.740 0.045 0.000 0.261 711 N C -1.688 173.622 175.510 -0.334 0.000 1.248 711 N CA -1.742 50.568 53.050 -1.233 0.000 0.885 711 N CB 1.640 39.135 38.487 -1.654 0.000 1.062 711 N HN 0.091 nan 8.380 nan 0.000 0.471 712 P HA -0.060 nan 4.420 nan 0.000 0.220 712 P C -0.179 177.113 177.300 -0.013 0.000 1.148 712 P CA 0.873 63.955 63.100 -0.030 0.000 0.803 712 P CB 0.281 31.984 31.700 0.006 0.000 0.782 713 S N 0.246 115.904 115.700 -0.069 0.000 2.654 713 S HA 0.363 4.859 4.470 0.045 0.000 0.283 713 S C 0.270 174.916 174.600 0.077 0.000 1.180 713 S CA -0.372 57.806 58.200 -0.036 0.000 1.021 713 S CB 0.690 63.846 63.200 -0.074 0.000 1.018 713 S HN 0.011 nan 8.310 nan 0.000 0.532 714 N N 2.074 120.737 118.700 -0.062 0.000 2.752 714 N HA 0.307 5.074 4.740 0.045 0.000 0.260 714 N C -2.983 172.388 175.510 -0.231 0.000 1.562 714 N CA -1.715 51.237 53.050 -0.163 0.000 0.788 714 N CB 0.726 38.939 38.487 -0.456 0.000 1.192 714 N HN 0.252 nan 8.380 nan 0.000 0.503 715 P HA 0.167 nan 4.420 nan 0.000 0.276 715 P C -0.845 176.215 177.300 -0.400 0.000 1.230 715 P CA 0.009 62.933 63.100 -0.293 0.000 0.776 715 P CB 1.176 32.757 31.700 -0.198 0.000 0.888 716 Q N 1.550 120.946 119.800 -0.675 0.000 2.433 716 Q HA 0.342 4.708 4.340 0.045 0.000 0.279 716 Q C -0.460 175.185 176.000 -0.591 0.000 1.105 716 Q CA -0.760 54.649 55.803 -0.656 0.000 0.815 716 Q CB 1.566 29.870 28.738 -0.723 0.000 1.403 716 Q HN 0.575 nan 8.270 nan 0.000 0.435 717 H N 0.728 119.604 119.070 -0.324 0.000 2.548 717 H HA 0.309 4.891 4.556 0.043 0.000 0.331 717 H C -0.106 175.229 175.328 0.012 0.000 1.093 717 H CA -0.155 55.782 56.048 -0.185 0.000 1.367 717 H CB 0.915 30.427 29.762 -0.417 0.000 1.455 717 H HN 0.331 nan 8.280 nan 0.000 0.519 718 Q N 1.533 121.454 119.800 0.202 0.000 2.421 718 Q HA 0.357 4.724 4.340 0.045 0.000 0.280 718 Q C -0.166 175.845 176.000 0.018 0.000 1.085 718 Q CA -0.975 54.872 55.803 0.072 0.000 0.807 718 Q CB 2.503 31.243 28.738 0.003 0.000 1.405 718 Q HN 0.717 nan 8.270 nan 0.000 0.419 719 E N 0.829 120.977 120.200 -0.088 0.000 2.402 719 E HA 0.032 4.409 4.350 0.045 0.000 0.261 719 E C 0.683 177.234 176.600 -0.080 0.000 0.823 719 E CA 0.627 56.982 56.400 -0.076 0.000 1.205 719 E CB 0.177 29.818 29.700 -0.099 0.000 1.431 719 E HN 0.796 nan 8.360 nan 0.000 0.518 720 C N 0.239 119.479 119.300 -0.100 0.000 2.735 720 C HA 0.325 4.812 4.460 0.045 0.000 0.271 720 C C 0.016 175.096 174.990 0.150 0.000 1.281 720 C CA -0.614 58.437 59.018 0.055 0.000 1.719 720 C CB -1.183 26.668 27.740 0.186 0.000 2.024 720 C HN 0.444 nan 8.230 nan 0.000 0.566 721 F N -2.618 117.293 119.950 -0.065 0.000 2.773 721 F HA 0.757 5.309 4.527 0.041 0.000 0.314 721 F C -1.448 174.218 175.800 -0.223 0.000 1.160 721 F CA -1.301 56.628 58.000 -0.119 0.000 0.920 721 F CB 0.829 39.763 39.000 -0.110 0.000 1.323 721 F HN -0.276 nan 8.300 nan 0.000 0.457 722 V N 0.748 120.658 119.914 -0.007 0.000 3.049 722 V HA 0.859 5.006 4.120 0.045 0.000 0.309 722 V C -1.546 174.547 176.094 -0.001 0.000 1.148 722 V CA -0.088 62.099 62.300 -0.188 0.000 0.990 722 V CB 2.200 33.627 31.823 -0.661 0.000 1.039 722 V HN 1.238 nan 8.190 nan 0.000 0.430 723 S N 4.418 120.134 115.700 0.027 0.000 2.536 723 S HA 0.779 5.276 4.470 0.045 0.000 0.271 723 S C -1.762 172.901 174.600 0.104 0.000 1.134 723 S CA -0.522 57.726 58.200 0.080 0.000 0.897 723 S CB 1.528 64.859 63.200 0.219 0.000 1.094 723 S HN 0.738 nan 8.310 nan 0.000 0.473 724 L N 3.826 125.097 121.223 0.081 0.000 2.362 724 L HA 0.728 5.095 4.340 0.045 0.000 0.275 724 L C -1.308 175.674 176.870 0.187 0.000 0.998 724 L CA -0.660 54.246 54.840 0.109 0.000 0.820 724 L CB 1.781 43.864 42.059 0.040 0.000 1.270 724 L HN 0.693 nan 8.230 nan 0.000 0.415 725 F N 2.134 122.071 119.950 -0.022 0.000 2.573 725 F HA 0.279 4.828 4.527 0.037 0.000 0.316 725 F C 0.198 175.973 175.800 -0.041 0.000 1.148 725 F CA -1.087 56.898 58.000 -0.024 0.000 0.940 725 F CB 1.495 40.490 39.000 -0.009 0.000 1.214 725 F HN 0.575 nan 8.300 nan 0.000 0.448 726 D N 1.909 121.967 120.400 -0.570 0.000 2.339 726 D HA 0.290 4.957 4.640 0.045 0.000 0.217 726 D C 1.472 177.498 176.300 -0.456 0.000 1.050 726 D CA 0.826 54.587 54.000 -0.398 0.000 0.856 726 D CB 0.497 41.147 40.800 -0.249 0.000 0.922 726 D HN 0.916 nan 8.370 nan 0.000 0.518 727 G N -1.185 107.061 108.800 -0.925 0.000 2.253 727 G HA2 -0.183 3.804 3.960 0.045 0.000 0.209 727 G HA3 -0.183 3.804 3.960 0.045 0.000 0.209 727 G C 0.901 175.519 174.900 -0.469 0.000 0.997 727 G CA 0.714 45.553 45.100 -0.436 0.000 0.640 727 G HN 0.745 nan 8.290 nan 0.000 0.496 728 E N -0.653 119.086 120.200 -0.768 0.000 2.608 728 E HA 0.471 4.848 4.350 0.045 0.000 0.204 728 E C 0.293 176.763 176.600 -0.218 0.000 0.884 728 E CA 0.984 57.220 56.400 -0.274 0.000 1.533 728 E CB 0.230 29.856 29.700 -0.122 0.000 1.559 728 E HN 0.668 nan 8.360 nan 0.000 0.864 729 N N -1.752 116.675 118.700 -0.456 0.000 2.329 729 N HA 0.676 5.443 4.740 0.045 0.000 0.282 729 N C -0.175 175.275 175.510 -0.100 0.000 1.198 729 N CA -0.223 52.761 53.050 -0.110 0.000 0.790 729 N CB 2.443 40.920 38.487 -0.018 0.000 1.579 729 N HN 0.404 nan 8.380 nan 0.000 0.475 730 G N -0.416 108.497 108.800 0.188 0.000 2.634 730 G HA2 0.611 4.598 3.960 0.045 0.000 0.309 730 G HA3 0.611 4.598 3.960 0.045 0.000 0.309 730 G C -1.958 172.964 174.900 0.036 0.000 1.299 730 G CA -0.334 44.883 45.100 0.195 0.000 0.798 730 G HN 0.389 nan 8.290 nan 0.000 0.490 731 V N -0.041 119.828 119.914 -0.076 0.000 2.733 731 V HA 0.659 4.806 4.120 0.045 0.000 0.306 731 V C -0.637 175.291 176.094 -0.277 0.000 1.084 731 V CA -0.554 61.551 62.300 -0.324 0.000 0.905 731 V CB 2.159 33.767 31.823 -0.358 0.000 1.010 731 V HN 0.816 nan 8.190 nan 0.000 0.424 732 T N 6.100 120.410 114.554 -0.406 0.000 2.791 732 T HA 0.565 4.942 4.350 0.045 0.000 0.288 732 T C -0.461 174.047 174.700 -0.321 0.000 0.999 732 T CA -0.286 61.656 62.100 -0.263 0.000 0.952 732 T CB 0.721 69.439 68.868 -0.250 0.000 0.938 732 T HN 0.299 nan 8.240 nan 0.000 0.444 733 I N 3.549 123.994 120.570 -0.208 0.000 2.312 733 I HA 0.406 4.603 4.170 0.045 0.000 0.290 733 I C 1.026 177.136 176.117 -0.011 0.000 1.008 733 I CA -0.449 60.739 61.300 -0.188 0.000 1.226 733 I CB 0.799 38.643 38.000 -0.260 0.000 1.371 733 I HN 0.662 nan 8.210 nan 0.000 0.468 734 G N 6.700 115.527 108.800 0.045 0.000 2.425 734 G HA2 0.520 4.507 3.960 0.045 0.000 0.302 734 G HA3 0.520 4.507 3.960 0.045 0.000 0.302 734 G C -0.358 174.668 174.900 0.210 0.000 1.159 734 G CA -0.544 44.638 45.100 0.138 0.000 0.865 734 G HN 0.766 nan 8.290 nan 0.000 0.515 735 N N -0.986 117.842 118.700 0.213 0.000 2.571 735 N HA 0.325 5.092 4.740 0.045 0.000 0.273 735 N C -2.051 173.621 175.510 0.270 0.000 1.340 735 N CA -0.833 52.376 53.050 0.266 0.000 0.789 735 N CB 2.283 40.890 38.487 0.199 0.000 1.514 735 N HN 0.454 nan 8.380 nan 0.000 0.499 736 Y N -0.328 120.072 120.300 0.166 0.000 2.526 736 Y HA 0.410 4.987 4.550 0.045 0.000 0.328 736 Y C 0.814 176.776 175.900 0.103 0.000 0.995 736 Y CA 0.393 58.566 58.100 0.121 0.000 1.304 736 Y CB 0.326 38.853 38.460 0.112 0.000 1.096 736 Y HN 0.992 nan 8.280 nan 0.000 0.499 737 G N 3.980 112.790 108.800 0.017 0.000 2.153 737 G HA2 -0.273 3.714 3.960 0.045 0.000 0.252 737 G HA3 -0.273 3.714 3.960 0.045 0.000 0.252 737 G C -0.753 174.207 174.900 0.099 0.000 0.994 737 G CA 0.202 45.328 45.100 0.043 0.000 0.698 737 G HN 0.442 nan 8.290 nan 0.000 0.521 738 L N 0.993 122.291 121.223 0.124 0.000 2.407 738 L HA 0.409 4.776 4.340 0.045 0.000 0.261 738 L C 1.011 177.937 176.870 0.094 0.000 1.108 738 L CA -0.333 54.579 54.840 0.120 0.000 0.995 738 L CB 0.078 42.229 42.059 0.154 0.000 1.349 738 L HN 0.240 nan 8.230 nan 0.000 0.423 739 N N 0.728 119.475 118.700 0.077 0.000 2.412 739 N HA -0.001 4.766 4.740 0.045 0.000 0.184 739 N C 0.386 175.937 175.510 0.069 0.000 1.101 739 N CA 0.128 53.228 53.050 0.083 0.000 0.881 739 N CB 0.598 39.143 38.487 0.095 0.000 0.969 739 N HN 0.536 nan 8.380 nan 0.000 0.459 740 E N 0.874 121.096 120.200 0.037 0.000 2.151 740 E HA 0.178 4.555 4.350 0.045 0.000 0.275 740 E C -1.303 175.325 176.600 0.047 0.000 0.936 740 E CA -0.773 55.604 56.400 -0.037 0.000 0.777 740 E CB 0.669 30.317 29.700 -0.086 0.000 1.108 740 E HN 0.195 nan 8.360 nan 0.000 0.401 741 Y N 1.141 121.381 120.300 -0.101 0.000 2.609 741 Y HA 0.652 5.227 4.550 0.040 0.000 0.342 741 Y C -1.164 174.663 175.900 -0.123 0.000 1.058 741 Y CA -1.120 56.923 58.100 -0.094 0.000 1.055 741 Y CB 1.546 39.955 38.460 -0.085 0.000 1.292 741 Y HN 0.442 nan 8.280 nan 0.000 0.476 742 E N 1.745 121.889 120.200 -0.093 0.000 2.356 742 E HA 0.482 4.859 4.350 0.045 0.000 0.275 742 E C -1.776 174.786 176.600 -0.063 0.000 0.904 742 E CA -1.007 55.263 56.400 -0.216 0.000 0.757 742 E CB 2.019 31.612 29.700 -0.178 0.000 1.232 742 E HN 0.663 nan 8.360 nan 0.000 0.442 743 I N 4.444 124.914 120.570 -0.167 0.000 2.321 743 I HA 0.247 4.444 4.170 0.045 0.000 0.291 743 I C -0.085 175.921 176.117 -0.185 0.000 0.998 743 I CA -0.578 60.612 61.300 -0.183 0.000 1.227 743 I CB 0.882 38.694 38.000 -0.315 0.000 1.368 743 I HN 0.498 nan 8.210 nan 0.000 0.466 744 L N 8.633 129.766 121.223 -0.150 0.000 2.268 744 L HA 0.260 4.626 4.340 0.045 0.000 0.289 744 L C -1.443 175.319 176.870 -0.180 0.000 1.064 744 L CA -1.370 53.381 54.840 -0.148 0.000 0.824 744 L CB 0.717 42.712 42.059 -0.106 0.000 1.202 744 L HN 0.309 nan 8.230 nan 0.000 0.433 745 P HA -0.083 nan 4.420 nan 0.000 0.221 745 P C 0.623 177.816 177.300 -0.179 0.000 1.150 745 P CA 0.802 63.688 63.100 -0.357 0.000 0.800 745 P CB 0.305 31.492 31.700 -0.855 0.000 0.787 746 D N -1.205 119.134 120.400 -0.102 0.000 2.312 746 D HA -0.054 4.613 4.640 0.045 0.000 0.211 746 D C 1.446 177.730 176.300 -0.026 0.000 0.964 746 D CA 1.586 55.573 54.000 -0.020 0.000 0.877 746 D CB -0.432 40.368 40.800 -0.001 0.000 0.924 746 D HN 0.309 nan 8.370 nan 0.000 0.515 747 T N -3.937 110.557 114.554 -0.100 0.000 3.087 747 T HA 0.053 4.430 4.350 0.045 0.000 0.283 747 T C 0.371 174.908 174.700 -0.271 0.000 0.956 747 T CA -0.430 61.541 62.100 -0.215 0.000 0.894 747 T CB 0.191 68.884 68.868 -0.291 0.000 1.160 747 T HN -0.247 nan 8.240 nan 0.000 0.532 748 N N 2.301 120.906 118.700 -0.159 0.000 2.686 748 N HA -0.116 4.651 4.740 0.045 0.000 0.261 748 N C -0.771 174.658 175.510 -0.135 0.000 1.001 748 N CA 1.038 54.011 53.050 -0.129 0.000 0.764 748 N CB -1.535 36.910 38.487 -0.071 0.000 0.898 748 N HN 0.585 nan 8.380 nan 0.000 0.544 749 T N 0.886 115.355 114.554 -0.142 0.000 2.845 749 T HA 0.486 4.863 4.350 0.045 0.000 0.288 749 T C 1.188 175.858 174.700 -0.051 0.000 0.980 749 T CA -0.399 61.643 62.100 -0.097 0.000 1.071 749 T CB 1.254 70.054 68.868 -0.113 0.000 0.941 749 T HN 0.122 nan 8.240 nan 0.000 0.487 750 I N 2.896 123.477 120.570 0.018 0.000 2.312 750 I HA 0.450 4.647 4.170 0.045 0.000 0.291 750 I C 0.459 176.635 176.117 0.098 0.000 1.031 750 I CA -0.569 60.761 61.300 0.049 0.000 1.293 750 I CB 0.852 38.875 38.000 0.039 0.000 1.403 750 I HN 0.624 nan 8.210 nan 0.000 0.484 751 A N 8.320 131.175 122.820 0.058 0.000 2.271 751 A HA 0.707 5.053 4.320 0.045 0.000 0.317 751 A C -0.491 177.131 177.584 0.064 0.000 1.245 751 A CA -0.500 51.553 52.037 0.028 0.000 0.857 751 A CB 0.433 19.423 19.000 -0.016 0.000 1.175 751 A HN 0.526 nan 8.150 nan 0.000 0.512 752 I N 2.638 123.228 120.570 0.032 0.000 2.354 752 I HA 0.260 4.457 4.170 0.045 0.000 0.292 752 I C 0.281 176.389 176.117 -0.014 0.000 0.989 752 I CA -0.124 61.191 61.300 0.024 0.000 1.188 752 I CB 1.128 39.120 38.000 -0.014 0.000 1.342 752 I HN 0.530 nan 8.210 nan 0.000 0.457 753 T N 7.423 121.984 114.554 0.011 0.000 2.779 753 T HA 0.350 4.727 4.350 0.045 0.000 0.296 753 T C 1.570 176.290 174.700 0.034 0.000 0.938 753 T CA -0.218 61.887 62.100 0.009 0.000 1.119 753 T CB 1.144 70.010 68.868 -0.002 0.000 0.891 753 T HN 0.387 nan 8.240 nan 0.000 0.526 754 L N 2.523 123.779 121.223 0.055 0.000 2.357 754 L HA 0.421 4.788 4.340 0.045 0.000 0.211 754 L C 0.158 177.094 176.870 0.111 0.000 1.075 754 L CA 0.247 55.162 54.840 0.125 0.000 0.830 754 L CB 0.125 42.316 42.059 0.220 0.000 0.996 754 L HN 0.391 nan 8.230 nan 0.000 0.467 755 L N -0.315 120.930 121.223 0.037 0.000 2.526 755 L HA 0.469 4.836 4.340 0.045 0.000 0.263 755 L C -1.025 175.784 176.870 -0.103 0.000 0.943 755 L CA -0.259 54.553 54.840 -0.048 0.000 0.859 755 L CB 2.022 44.036 42.059 -0.075 0.000 1.313 755 L HN -0.066 nan 8.230 nan 0.000 0.406 756 R N 2.865 123.321 120.500 -0.074 0.000 2.483 756 R HA 0.717 5.084 4.340 0.045 0.000 0.303 756 R C -1.384 174.894 176.300 -0.036 0.000 0.987 756 R CA -0.325 55.733 56.100 -0.070 0.000 0.881 756 R CB 1.763 32.052 30.300 -0.017 0.000 1.177 756 R HN 0.755 nan 8.270 nan 0.000 0.451 757 S N 3.273 118.935 115.700 -0.063 0.000 2.474 757 S HA 0.482 4.979 4.470 0.045 0.000 0.321 757 S C -0.405 174.243 174.600 0.079 0.000 1.080 757 S CA -0.715 57.504 58.200 0.033 0.000 1.106 757 S CB 1.453 64.689 63.200 0.059 0.000 0.984 757 S HN 0.447 nan 8.310 nan 0.000 0.464 758 V N 0.326 120.298 119.914 0.097 0.000 3.141 758 V HA 0.983 5.130 4.120 0.045 0.000 0.312 758 V C 0.604 176.769 176.094 0.118 0.000 1.157 758 V CA -0.773 61.591 62.300 0.107 0.000 1.041 758 V CB 1.524 33.411 31.823 0.107 0.000 1.071 758 V HN 0.744 nan 8.190 nan 0.000 0.441 759 G N 0.216 109.090 108.800 0.124 0.000 3.192 759 G HA2 0.524 4.511 3.960 0.045 0.000 0.239 759 G HA3 0.524 4.511 3.960 0.045 0.000 0.239 759 G C 0.131 175.116 174.900 0.143 0.000 1.084 759 G CA 0.622 45.799 45.100 0.128 0.000 0.784 759 G HN 1.106 nan 8.290 nan 0.000 0.540 760 E N -1.734 118.559 120.200 0.154 0.000 2.430 760 E HA 0.443 4.820 4.350 0.045 0.000 0.279 760 E C 0.690 177.402 176.600 0.187 0.000 1.003 760 E CA -0.949 55.549 56.400 0.164 0.000 0.801 760 E CB 0.821 30.654 29.700 0.221 0.000 1.313 760 E HN -0.115 nan 8.360 nan 0.000 0.459 761 M N 0.990 120.716 119.600 0.209 0.000 2.064 761 M HA 0.129 4.636 4.480 0.045 0.000 0.260 761 M C 0.829 177.371 176.300 0.404 0.000 1.073 761 M CA 2.814 58.270 55.300 0.259 0.000 1.124 761 M CB -0.355 32.370 32.600 0.210 0.000 1.326 761 M HN 0.952 nan 8.290 nan 0.000 0.410 762 G N 0.050 109.088 108.800 0.397 0.000 2.378 762 G HA2 -0.153 3.834 3.960 0.045 0.000 0.198 762 G HA3 -0.153 3.834 3.960 0.045 0.000 0.198 762 G C -0.367 174.734 174.900 0.334 0.000 1.223 762 G CA 0.013 45.349 45.100 0.394 0.000 1.088 762 G HN 0.652 nan 8.290 nan 0.000 0.530 763 D N -2.269 118.251 120.400 0.199 0.000 3.393 763 D HA -0.213 4.454 4.640 0.045 0.000 0.178 763 D C 1.610 178.037 176.300 0.213 0.000 1.201 763 D CA 3.495 57.598 54.000 0.173 0.000 1.086 763 D CB -1.205 39.828 40.800 0.387 0.000 0.568 763 D HN 1.483 nan 8.370 nan 0.000 0.637 764 W N 1.020 122.431 121.300 0.184 0.000 2.721 764 W HA 0.318 5.005 4.660 0.044 0.000 0.245 764 W C 0.436 177.011 176.519 0.093 0.000 1.276 764 W CA 0.811 58.227 57.345 0.118 0.000 1.342 764 W CB -0.968 28.555 29.460 0.105 0.000 1.135 764 W HN 0.471 nan 8.180 nan 0.000 0.654 765 G N -0.173 108.443 108.800 -0.306 0.000 2.706 765 G HA2 0.355 4.342 3.960 0.045 0.000 0.307 765 G HA3 0.355 4.342 3.960 0.045 0.000 0.307 765 G C -2.341 172.257 174.900 -0.504 0.000 1.307 765 G CA -1.075 43.711 45.100 -0.523 0.000 0.790 765 G HN 0.059 nan 8.290 nan 0.000 0.503 766 Y N 0.890 120.720 120.300 -0.784 0.000 2.477 766 Y HA 0.694 5.271 4.550 0.044 0.000 0.349 766 Y C -1.335 174.047 175.900 -0.864 0.000 0.977 766 Y CA -2.024 55.735 58.100 -0.569 0.000 1.214 766 Y CB 0.231 38.482 38.460 -0.349 0.000 1.124 766 Y HN 0.194 nan 8.280 nan 0.000 0.521 767 F N 8.493 128.123 119.950 -0.533 0.000 2.434 767 F HA 0.412 4.966 4.527 0.045 0.000 0.367 767 F C -2.279 173.219 175.800 -0.504 0.000 1.093 767 F CA -2.664 55.014 58.000 -0.537 0.000 1.085 767 F CB 0.989 39.789 39.000 -0.332 0.000 1.322 767 F HN 0.413 nan 8.300 nan 0.000 0.452 768 P HA 0.103 nan 4.420 nan 0.000 0.268 768 P C -0.041 177.232 177.300 -0.045 0.000 1.205 768 P CA -0.087 62.847 63.100 -0.277 0.000 0.771 768 P CB 1.033 32.578 31.700 -0.259 0.000 0.858 769 T N -0.872 113.708 114.554 0.043 0.000 3.428 769 T HA 0.296 4.673 4.350 0.045 0.000 0.301 769 T C -1.953 172.807 174.700 0.101 0.000 1.323 769 T CA -1.864 60.290 62.100 0.090 0.000 1.647 769 T CB 0.783 69.730 68.868 0.132 0.000 0.871 769 T HN 0.135 nan 8.240 nan 0.000 0.627 770 P HA -0.100 nan 4.420 nan 0.000 0.218 770 P C 1.093 178.449 177.300 0.095 0.000 1.148 770 P CA 1.129 64.280 63.100 0.085 0.000 0.822 770 P CB 0.315 32.055 31.700 0.067 0.000 0.784 771 E N -0.329 119.934 120.200 0.104 0.000 2.418 771 E HA 0.006 4.383 4.350 0.045 0.000 0.197 771 E C 1.943 178.636 176.600 0.155 0.000 1.026 771 E CA 0.489 56.955 56.400 0.110 0.000 0.862 771 E CB -0.355 29.411 29.700 0.110 0.000 0.799 771 E HN 0.192 nan 8.360 nan 0.000 0.518 772 A N 0.894 123.811 122.820 0.162 0.000 2.209 772 A HA -0.131 4.216 4.320 0.045 0.000 0.212 772 A C 1.769 179.447 177.584 0.157 0.000 1.158 772 A CA 0.591 52.730 52.037 0.170 0.000 0.742 772 A CB -0.026 19.058 19.000 0.139 0.000 0.790 772 A HN 0.095 nan 8.150 nan 0.000 0.472 773 Q N -1.363 118.522 119.800 0.142 0.000 2.488 773 Q HA -0.033 4.334 4.340 0.045 0.000 0.211 773 Q C 0.624 176.724 176.000 0.167 0.000 0.967 773 Q CA 0.693 56.581 55.803 0.141 0.000 0.926 773 Q CB -0.796 28.017 28.738 0.125 0.000 0.992 773 Q HN 0.716 nan 8.270 nan 0.000 0.506 774 C N 1.346 120.757 119.300 0.184 0.000 3.899 774 C HA -0.176 4.311 4.460 0.045 0.000 0.297 774 C C 0.720 175.875 174.990 0.275 0.000 1.371 774 C CA -0.389 58.769 59.018 0.233 0.000 2.088 774 C CB -3.086 24.867 27.740 0.354 0.000 1.346 774 C HN 0.388 nan 8.230 nan 0.000 0.658 775 L N 1.154 122.466 121.223 0.148 0.000 2.461 775 L HA 0.555 4.922 4.340 0.045 0.000 0.272 775 L C 1.192 178.093 176.870 0.051 0.000 1.197 775 L CA 1.484 56.401 54.840 0.128 0.000 0.836 775 L CB 0.325 42.427 42.059 0.072 0.000 1.105 775 L HN 0.891 nan 8.230 nan 0.000 0.477 776 G N 2.143 110.978 108.800 0.058 0.000 2.409 776 G HA2 -0.131 3.856 3.960 0.045 0.000 0.421 776 G HA3 -0.131 3.856 3.960 0.045 0.000 0.421 776 G C -1.062 173.774 174.900 -0.107 0.000 1.259 776 G CA -0.884 44.184 45.100 -0.053 0.000 1.011 776 G HN 0.506 nan 8.290 nan 0.000 0.497 777 K N 0.892 121.166 120.400 -0.211 0.000 2.298 777 K HA 0.501 4.848 4.320 0.045 0.000 0.280 777 K C -0.165 176.125 176.600 -0.517 0.000 1.032 777 K CA -0.168 55.972 56.287 -0.244 0.000 0.958 777 K CB 0.446 32.846 32.500 -0.166 0.000 0.978 777 K HN 0.521 nan 8.250 nan 0.000 0.472 778 H N -0.094 118.746 119.070 -0.383 0.000 2.797 778 H HA 0.342 4.925 4.556 0.045 0.000 0.372 778 H C -0.948 174.128 175.328 -0.420 0.000 1.168 778 H CA -0.721 55.049 56.048 -0.462 0.000 1.163 778 H CB 2.383 31.676 29.762 -0.782 0.000 1.778 778 H HN 0.468 nan 8.280 nan 0.000 0.551 779 S N 2.623 118.256 115.700 -0.111 0.000 2.706 779 S HA 0.333 4.830 4.470 0.045 0.000 0.270 779 S C -1.688 172.943 174.600 0.052 0.000 1.163 779 S CA -0.772 57.397 58.200 -0.051 0.000 1.042 779 S CB 0.003 63.168 63.200 -0.059 0.000 1.079 779 S HN 0.298 nan 8.310 nan 0.000 0.474 780 L N 3.532 124.845 121.223 0.149 0.000 2.322 780 L HA 0.637 5.004 4.340 0.045 0.000 0.281 780 L C 0.242 177.321 176.870 0.349 0.000 1.014 780 L CA -0.470 54.535 54.840 0.275 0.000 0.815 780 L CB 1.263 43.537 42.059 0.358 0.000 1.247 780 L HN 0.576 nan 8.230 nan 0.000 0.421 781 S N 3.288 119.175 115.700 0.312 0.000 2.454 781 S HA 0.835 5.332 4.470 0.045 0.000 0.306 781 S C -0.945 173.904 174.600 0.414 0.000 1.100 781 S CA -0.432 57.905 58.200 0.229 0.000 1.087 781 S CB 1.302 64.539 63.200 0.062 0.000 1.019 781 S HN 0.522 nan 8.310 nan 0.000 0.480 782 Y N -0.715 119.758 120.300 0.289 0.000 2.689 782 Y HA 0.797 5.374 4.550 0.045 0.000 0.333 782 Y C -0.604 175.508 175.900 0.354 0.000 1.208 782 Y CA -1.275 57.007 58.100 0.302 0.000 1.055 782 Y CB 0.715 39.367 38.460 0.320 0.000 1.304 782 Y HN 0.561 nan 8.280 nan 0.000 0.455 783 S N 1.050 116.979 115.700 0.382 0.000 2.595 783 S HA 0.780 5.277 4.470 0.045 0.000 0.281 783 S C -1.858 172.872 174.600 0.216 0.000 1.117 783 S CA -0.671 57.652 58.200 0.205 0.000 0.873 783 S CB 2.328 65.549 63.200 0.034 0.000 1.108 783 S HN 0.957 nan 8.310 nan 0.000 0.477 784 F N 1.151 121.111 119.950 0.016 0.000 2.507 784 F HA 0.712 5.266 4.527 0.045 0.000 0.325 784 F C -0.398 175.324 175.800 -0.130 0.000 1.116 784 F CA -0.365 57.589 58.000 -0.077 0.000 0.930 784 F CB 1.564 40.633 39.000 0.114 0.000 1.146 784 F HN 0.905 nan 8.300 nan 0.000 0.447 785 E N 3.883 123.545 120.200 -0.896 0.000 2.272 785 E HA 0.313 4.690 4.350 0.045 0.000 0.269 785 E C -1.606 174.385 176.600 -1.016 0.000 0.877 785 E CA -0.771 55.183 56.400 -0.743 0.000 0.755 785 E CB 1.993 31.401 29.700 -0.488 0.000 1.192 785 E HN 0.569 nan 8.360 nan 0.000 0.422 786 S N 4.654 120.009 115.700 -0.576 0.000 2.475 786 S HA 0.478 4.975 4.470 0.045 0.000 0.281 786 S C -0.155 174.345 174.600 -0.167 0.000 1.198 786 S CA -0.639 57.400 58.200 -0.268 0.000 1.063 786 S CB -0.078 63.215 63.200 0.156 0.000 0.972 786 S HN 0.447 nan 8.310 nan 0.000 0.486 787 I N 2.465 122.956 120.570 -0.131 0.000 2.693 787 I HA 0.812 5.009 4.170 0.045 0.000 0.303 787 I C 0.047 176.197 176.117 0.055 0.000 1.025 787 I CA -0.788 60.443 61.300 -0.116 0.000 1.086 787 I CB 2.261 40.107 38.000 -0.257 0.000 1.268 787 I HN 0.566 nan 8.210 nan 0.000 0.440 788 T N 0.009 114.588 114.554 0.042 0.000 2.910 788 T HA 0.408 4.785 4.350 0.045 0.000 0.287 788 T C 0.713 175.502 174.700 0.149 0.000 1.050 788 T CA -0.657 61.543 62.100 0.166 0.000 1.011 788 T CB 1.781 70.706 68.868 0.094 0.000 1.195 788 T HN 0.762 nan 8.240 nan 0.000 0.540 789 K N 0.538 121.113 120.400 0.290 0.000 2.089 789 K HA -0.160 4.187 4.320 0.045 0.000 0.210 789 K C 2.819 179.419 176.600 0.000 0.000 1.048 789 K CA 2.708 59.107 56.287 0.187 0.000 0.926 789 K CB -1.204 31.450 32.500 0.256 0.000 0.714 789 K HN 0.777 nan 8.250 nan 0.000 0.448 790 Q N -0.749 119.065 119.800 0.024 0.000 2.369 790 Q HA -0.017 4.350 4.340 0.045 0.000 0.206 790 Q C 1.769 177.744 176.000 -0.042 0.000 0.963 790 Q CA 1.671 57.481 55.803 0.011 0.000 0.894 790 Q CB -0.648 28.110 28.738 0.033 0.000 0.965 790 Q HN 0.673 nan 8.270 nan 0.000 0.475 791 T N -4.464 110.018 114.554 -0.121 0.000 3.043 791 T HA 0.128 4.505 4.350 0.045 0.000 0.272 791 T C 1.551 175.999 174.700 -0.419 0.000 0.990 791 T CA 0.495 62.465 62.100 -0.218 0.000 0.897 791 T CB 0.321 69.065 68.868 -0.208 0.000 1.111 791 T HN 0.526 nan 8.240 nan 0.000 0.529 792 Q N 0.475 119.957 119.800 -0.529 0.000 2.029 792 Q HA -0.167 4.200 4.340 0.045 0.000 0.209 792 Q C 1.303 176.543 176.000 -1.268 0.000 0.999 792 Q CA 2.055 57.279 55.803 -0.965 0.000 0.857 792 Q CB -0.362 27.627 28.738 -1.250 0.000 0.926 792 Q HN 0.606 nan 8.270 nan 0.000 0.415 793 F N 0.109 119.607 119.950 -0.754 0.000 2.259 793 F HA 0.000 4.552 4.527 0.042 0.000 0.298 793 F C 2.393 177.791 175.800 -0.669 0.000 1.088 793 F CA 0.818 58.416 58.000 -0.670 0.000 1.358 793 F CB -0.592 38.268 39.000 -0.233 0.000 1.040 793 F HN 0.219 nan 8.300 nan 0.000 0.505 794 A N 0.037 122.544 122.820 -0.523 0.000 1.940 794 A HA -0.229 4.118 4.320 0.045 0.000 0.219 794 A C 2.390 179.165 177.584 -1.348 0.000 1.176 794 A CA 2.080 53.475 52.037 -1.070 0.000 0.631 794 A CB -1.194 17.444 19.000 -0.603 0.000 0.814 794 A HN 0.406 nan 8.150 nan 0.000 0.446 795 S N -1.360 113.769 115.700 -0.952 0.000 2.423 795 S HA -0.164 4.333 4.470 0.045 0.000 0.231 795 S C 1.854 176.044 174.600 -0.684 0.000 1.014 795 S CA 1.364 59.087 58.200 -0.796 0.000 0.965 795 S CB -0.672 62.112 63.200 -0.694 0.000 0.785 795 S HN 0.526 nan 8.310 nan 0.000 0.495 796 Y N 1.943 121.748 120.300 -0.824 0.000 2.153 796 Y HA 0.055 4.630 4.550 0.041 0.000 0.289 796 Y C 2.597 178.220 175.900 -0.461 0.000 1.127 796 Y CA -0.002 57.518 58.100 -0.967 0.000 1.131 796 Y CB -1.598 36.370 38.460 -0.821 0.000 0.995 796 Y HN 0.599 nan 8.280 nan 0.000 0.505 797 W N 0.726 121.927 121.300 -0.164 0.000 2.467 797 W HA -0.016 4.671 4.660 0.044 0.000 0.275 797 W C 1.695 178.143 176.519 -0.120 0.000 1.239 797 W CA 0.532 57.779 57.345 -0.164 0.000 1.266 797 W CB -0.836 28.338 29.460 -0.477 0.000 1.112 797 W HN 0.013 nan 8.180 nan 0.000 0.576 798 R N 1.168 121.388 120.500 -0.466 0.000 2.073 798 R HA -0.110 4.257 4.340 0.045 0.000 0.234 798 R C 2.737 178.991 176.300 -0.078 0.000 1.134 798 R CA 2.143 58.047 56.100 -0.327 0.000 0.952 798 R CB -0.673 29.252 30.300 -0.624 0.000 0.850 798 R HN 0.218 nan 8.270 nan 0.000 0.433 799 A N 0.453 123.208 122.820 -0.109 0.000 2.015 799 A HA -0.184 4.162 4.320 0.045 0.000 0.219 799 A C 2.010 179.685 177.584 0.151 0.000 1.163 799 A CA 1.049 53.102 52.037 0.025 0.000 0.646 799 A CB -0.316 18.699 19.000 0.025 0.000 0.806 799 A HN 0.373 nan 8.150 nan 0.000 0.448 800 Q N -0.298 119.617 119.800 0.191 0.000 2.033 800 Q HA -0.126 4.241 4.340 0.045 0.000 0.196 800 Q C 1.650 177.779 176.000 0.215 0.000 0.970 800 Q CA 1.472 57.417 55.803 0.237 0.000 0.828 800 Q CB -0.087 28.828 28.738 0.294 0.000 0.895 800 Q HN 0.772 nan 8.270 nan 0.000 0.440 801 E N -0.563 119.787 120.200 0.249 0.000 2.299 801 E HA -0.025 4.352 4.350 0.045 0.000 0.193 801 E C 1.732 178.455 176.600 0.204 0.000 0.998 801 E CA 0.482 57.029 56.400 0.245 0.000 0.851 801 E CB 0.038 29.933 29.700 0.325 0.000 0.795 801 E HN 0.512 nan 8.360 nan 0.000 0.492 802 G N 1.398 110.305 108.800 0.178 0.000 2.470 802 G HA2 -0.269 3.717 3.960 0.045 0.000 0.220 802 G HA3 -0.269 3.717 3.960 0.045 0.000 0.220 802 G C 1.366 176.374 174.900 0.181 0.000 1.121 802 G CA 0.204 45.391 45.100 0.144 0.000 0.766 802 G HN 0.192 nan 8.290 nan 0.000 0.553 803 Q N -0.517 119.420 119.800 0.229 0.000 2.437 803 Q HA 0.049 4.416 4.340 0.045 0.000 0.210 803 Q C 0.091 176.275 176.000 0.306 0.000 0.972 803 Q CA 0.278 56.289 55.803 0.346 0.000 0.903 803 Q CB 0.293 29.169 28.738 0.229 0.000 0.967 803 Q HN 0.346 nan 8.270 nan 0.000 0.486 804 V N 3.389 123.429 119.914 0.211 0.000 2.384 804 V HA 0.264 4.410 4.120 0.045 0.000 0.287 804 V C -2.013 174.171 176.094 0.149 0.000 1.020 804 V CA -1.862 60.545 62.300 0.178 0.000 0.850 804 V CB 1.357 33.273 31.823 0.156 0.000 0.987 804 V HN 0.066 nan 8.190 nan 0.000 0.436 805 P HA 0.245 nan 4.420 nan 0.000 0.276 805 P C -0.302 177.073 177.300 0.125 0.000 1.252 805 P CA -0.232 62.937 63.100 0.115 0.000 0.802 805 P CB 1.071 32.832 31.700 0.103 0.000 1.035 806 V N 2.375 122.362 119.914 0.123 0.000 2.673 806 V HA -0.019 4.127 4.120 0.045 0.000 0.303 806 V C 0.926 177.120 176.094 0.165 0.000 1.046 806 V CA 0.223 62.612 62.300 0.148 0.000 1.126 806 V CB -0.292 31.612 31.823 0.135 0.000 0.934 806 V HN 0.320 nan 8.190 nan 0.000 0.487 807 I N 3.877 124.582 120.570 0.225 0.000 2.440 807 I HA 0.378 4.575 4.170 0.045 0.000 0.294 807 I C 0.426 176.736 176.117 0.322 0.000 0.995 807 I CA 0.241 61.685 61.300 0.240 0.000 1.306 807 I CB 1.214 39.328 38.000 0.190 0.000 1.407 807 I HN 0.567 nan 8.210 nan 0.000 0.501 808 T N 4.054 118.749 114.554 0.235 0.000 2.861 808 T HA 0.561 4.938 4.350 0.045 0.000 0.287 808 T C -0.530 174.285 174.700 0.192 0.000 1.003 808 T CA -0.346 61.887 62.100 0.221 0.000 0.977 808 T CB 1.454 70.396 68.868 0.124 0.000 0.996 808 T HN 0.779 nan 8.240 nan 0.000 0.448 809 T N 3.332 118.018 114.554 0.221 0.000 3.041 809 T HA 0.455 4.831 4.350 0.045 0.000 0.321 809 T C -1.470 173.313 174.700 0.138 0.000 1.184 809 T CA -0.607 61.584 62.100 0.151 0.000 1.050 809 T CB 1.479 70.450 68.868 0.171 0.000 1.159 809 T HN 0.580 nan 8.240 nan 0.000 0.469 810 Q N 1.592 121.440 119.800 0.080 0.000 2.214 810 Q HA 0.714 5.081 4.340 0.045 0.000 0.251 810 Q C -0.542 175.486 176.000 0.045 0.000 0.936 810 Q CA -0.788 55.059 55.803 0.074 0.000 0.894 810 Q CB 2.061 30.820 28.738 0.034 0.000 1.252 810 Q HN 0.645 nan 8.270 nan 0.000 0.448 811 T N 0.282 114.860 114.554 0.040 0.000 2.853 811 T HA 0.316 4.692 4.350 0.045 0.000 0.311 811 T C -1.202 173.512 174.700 0.022 0.000 1.307 811 T CA -0.770 61.375 62.100 0.075 0.000 1.019 811 T CB 1.038 70.020 68.868 0.190 0.000 1.264 811 T HN 0.839 nan 8.240 nan 0.000 0.497 812 N N 1.794 120.536 118.700 0.069 0.000 2.374 812 N HA 0.438 5.205 4.740 0.045 0.000 0.284 812 N C -0.601 174.805 175.510 -0.174 0.000 1.280 812 N CA -0.841 52.204 53.050 -0.008 0.000 0.963 812 N CB 0.361 38.871 38.487 0.038 0.000 1.141 812 N HN 0.380 nan 8.380 nan 0.000 0.565 813 Q N -0.152 119.574 119.800 -0.123 0.000 2.295 813 Q HA 0.296 4.663 4.340 0.045 0.000 0.259 813 Q C -1.289 174.639 176.000 -0.120 0.000 0.976 813 Q CA 0.200 55.901 55.803 -0.169 0.000 0.923 813 Q CB 0.551 29.269 28.738 -0.034 0.000 1.185 813 Q HN 0.731 nan 8.270 nan 0.000 0.410 814 H N -1.579 117.513 119.070 0.036 0.000 3.037 814 H HA 0.619 5.202 4.556 0.045 0.000 0.336 814 H C -0.527 174.812 175.328 0.019 0.000 1.323 814 H CA -0.607 55.451 56.048 0.017 0.000 1.159 814 H CB 0.122 29.885 29.762 0.002 0.000 1.882 814 H HN 0.481 nan 8.280 nan 0.000 0.535 815 E N 0.342 120.652 120.200 0.184 0.000 2.428 815 E HA 0.566 4.943 4.350 0.045 0.000 0.257 815 E C 0.618 177.314 176.600 0.160 0.000 1.197 815 E CA 0.002 56.476 56.400 0.123 0.000 0.974 815 E CB 0.021 29.760 29.700 0.064 0.000 0.976 815 E HN 1.401 nan 8.360 nan 0.000 0.463 816 G N -1.554 107.306 108.800 0.099 0.000 2.411 816 G HA2 0.426 4.412 3.960 0.045 0.000 0.295 816 G HA3 0.426 4.412 3.960 0.045 0.000 0.295 816 G C 0.609 175.539 174.900 0.050 0.000 1.542 816 G CA 0.697 45.841 45.100 0.075 0.000 0.814 816 G HN 1.126 nan 8.290 nan 0.000 0.557 817 T N -1.127 113.444 114.554 0.028 0.000 2.995 817 T HA 0.179 4.556 4.350 0.045 0.000 0.269 817 T C 1.092 175.814 174.700 0.036 0.000 1.091 817 T CA 0.632 62.745 62.100 0.021 0.000 1.128 817 T CB -0.198 68.672 68.868 0.005 0.000 0.891 817 T HN 0.331 nan 8.240 nan 0.000 0.492 818 L N 1.442 122.704 121.223 0.064 0.000 2.343 818 L HA 0.692 5.059 4.340 0.045 0.000 0.275 818 L C 0.628 177.600 176.870 0.169 0.000 1.056 818 L CA -1.385 53.526 54.840 0.118 0.000 0.804 818 L CB 1.118 43.276 42.059 0.166 0.000 1.203 818 L HN 0.139 nan 8.230 nan 0.000 0.440 819 A N 1.672 124.608 122.820 0.194 0.000 2.445 819 A HA 0.444 4.791 4.320 0.045 0.000 0.242 819 A C 1.122 178.923 177.584 0.361 0.000 1.075 819 A CA 0.391 52.553 52.037 0.208 0.000 0.777 819 A CB 0.642 19.742 19.000 0.166 0.000 1.013 819 A HN 0.958 nan 8.150 nan 0.000 0.493 820 A N 0.934 123.898 122.820 0.240 0.000 2.015 820 A HA 0.053 4.400 4.320 0.045 0.000 0.219 820 A C 0.921 178.693 177.584 0.313 0.000 1.163 820 A CA 1.686 53.882 52.037 0.265 0.000 0.646 820 A CB -0.147 18.931 19.000 0.131 0.000 0.806 820 A HN 0.843 nan 8.150 nan 0.000 0.448 821 E N -1.874 118.427 120.200 0.169 0.000 2.241 821 E HA 0.547 4.924 4.350 0.045 0.000 0.263 821 E C -2.131 174.397 176.600 -0.120 0.000 0.882 821 E CA -0.621 55.779 56.400 -0.000 0.000 0.769 821 E CB 1.238 30.927 29.700 -0.018 0.000 1.185 821 E HN 0.272 nan 8.360 nan 0.000 0.415 822 Y N 1.571 121.464 120.300 -0.677 0.000 2.482 822 Y HA 0.338 4.915 4.550 0.045 0.000 0.334 822 Y C -1.504 173.952 175.900 -0.739 0.000 1.091 822 Y CA -0.591 57.058 58.100 -0.752 0.000 1.027 822 Y CB 2.006 39.865 38.460 -1.001 0.000 1.306 822 Y HN 0.372 nan 8.280 nan 0.000 0.446 823 S N 5.359 120.428 115.700 -1.052 0.000 2.442 823 S HA 0.213 4.710 4.470 0.045 0.000 0.297 823 S C -0.161 173.883 174.600 -0.927 0.000 1.131 823 S CA -0.458 57.285 58.200 -0.762 0.000 1.092 823 S CB 0.700 63.590 63.200 -0.517 0.000 0.998 823 S HN 0.774 nan 8.310 nan 0.000 0.478 824 Y N 2.748 122.761 120.300 -0.478 0.000 2.517 824 Y HA 0.268 4.845 4.550 0.044 0.000 0.281 824 Y C 0.242 176.021 175.900 -0.201 0.000 1.125 824 Y CA 0.271 58.280 58.100 -0.151 0.000 1.283 824 Y CB 0.292 38.818 38.460 0.110 0.000 1.042 824 Y HN 0.639 nan 8.280 nan 0.000 0.547 825 L N -2.261 118.851 121.223 -0.185 0.000 2.415 825 L HA 0.803 5.170 4.340 0.045 0.000 0.256 825 L C -0.541 176.167 176.870 -0.270 0.000 1.010 825 L CA -0.678 54.020 54.840 -0.237 0.000 0.826 825 L CB 1.817 43.748 42.059 -0.212 0.000 1.405 825 L HN -0.170 nan 8.230 nan 0.000 0.410 826 T N -3.254 111.147 114.554 -0.254 0.000 2.804 826 T HA 0.747 5.124 4.350 0.045 0.000 0.290 826 T C 0.519 175.082 174.700 -0.229 0.000 1.099 826 T CA -0.454 61.508 62.100 -0.231 0.000 1.011 826 T CB 1.077 69.828 68.868 -0.196 0.000 1.291 826 T HN 2.220 nan 8.240 nan 0.000 0.523 827 G N 1.466 110.142 108.800 -0.207 0.000 2.212 827 G HA2 -0.111 3.876 3.960 0.045 0.000 0.255 827 G HA3 -0.111 3.876 3.960 0.045 0.000 0.255 827 G C 0.071 174.814 174.900 -0.261 0.000 1.062 827 G CA 0.123 45.095 45.100 -0.214 0.000 0.815 827 G HN 1.628 nan 8.290 nan 0.000 0.497 828 T N -1.529 112.871 114.554 -0.256 0.000 2.919 828 T HA 0.528 4.905 4.350 0.045 0.000 0.302 828 T C 0.049 174.644 174.700 -0.176 0.000 1.031 828 T CA -0.275 61.642 62.100 -0.304 0.000 1.127 828 T CB 2.184 70.824 68.868 -0.380 0.000 0.952 828 T HN 0.368 nan 8.240 nan 0.000 0.540 829 N N 1.252 119.877 118.700 -0.125 0.000 2.295 829 N HA 0.180 4.947 4.740 0.045 0.000 0.293 829 N C -0.039 175.551 175.510 0.133 0.000 1.040 829 N CA -0.509 52.538 53.050 -0.005 0.000 0.840 829 N CB 2.337 40.806 38.487 -0.030 0.000 1.468 829 N HN 0.575 nan 8.380 nan 0.000 0.478 830 D N 1.311 121.809 120.400 0.164 0.000 2.190 830 D HA -0.190 4.477 4.640 0.045 0.000 0.200 830 D C 1.110 177.526 176.300 0.194 0.000 0.992 830 D CA 1.427 55.605 54.000 0.297 0.000 0.854 830 D CB 0.314 41.291 40.800 0.296 0.000 0.936 830 D HN 0.639 nan 8.370 nan 0.000 0.462 831 Q N -0.129 119.634 119.800 -0.062 0.000 2.425 831 Q HA 0.054 4.421 4.340 0.045 0.000 0.204 831 Q C -0.527 175.402 176.000 -0.117 0.000 0.933 831 Q CA 0.126 55.716 55.803 -0.355 0.000 0.939 831 Q CB 0.614 28.979 28.738 -0.620 0.000 1.044 831 Q HN -0.005 nan 8.270 nan 0.000 0.513 832 V N 1.509 121.446 119.914 0.037 0.000 2.357 832 V HA 0.546 4.693 4.120 0.045 0.000 0.284 832 V C -0.223 175.939 176.094 0.113 0.000 1.018 832 V CA -0.741 61.597 62.300 0.063 0.000 0.841 832 V CB 1.106 33.004 31.823 0.124 0.000 0.991 832 V HN 0.199 nan 8.190 nan 0.000 0.437 833 A N 5.008 127.796 122.820 -0.053 0.000 2.304 833 A HA 0.821 5.168 4.320 0.045 0.000 0.301 833 A C -0.775 176.865 177.584 0.094 0.000 1.132 833 A CA -0.432 51.607 52.037 0.004 0.000 0.819 833 A CB 0.952 19.740 19.000 -0.353 0.000 1.094 833 A HN 0.836 nan 8.150 nan 0.000 0.492 834 L N 2.567 123.881 121.223 0.153 0.000 2.287 834 L HA 0.550 4.917 4.340 0.045 0.000 0.287 834 L C 1.100 178.120 176.870 0.249 0.000 1.022 834 L CA 0.527 55.475 54.840 0.180 0.000 0.814 834 L CB 1.636 43.733 42.059 0.063 0.000 1.217 834 L HN 0.848 nan 8.230 nan 0.000 0.420 835 T N 1.098 115.850 114.554 0.329 0.000 2.978 835 T HA 0.581 4.957 4.350 0.045 0.000 0.248 835 T C 0.499 175.371 174.700 0.287 0.000 1.018 835 T CA 0.383 62.676 62.100 0.322 0.000 1.026 835 T CB 0.282 69.386 68.868 0.394 0.000 1.032 835 T HN 0.618 nan 8.240 nan 0.000 0.485 836 A N 0.607 123.603 122.820 0.292 0.000 2.386 836 A HA 0.777 5.124 4.320 0.045 0.000 0.311 836 A C -1.707 176.062 177.584 0.308 0.000 1.068 836 A CA -0.809 51.384 52.037 0.260 0.000 0.743 836 A CB 1.313 20.430 19.000 0.195 0.000 1.258 836 A HN 0.403 nan 8.150 nan 0.000 0.429 837 F N 2.779 122.789 119.950 0.101 0.000 3.228 837 F HA 0.409 4.963 4.527 0.044 0.000 0.390 837 F C -0.079 175.758 175.800 0.062 0.000 1.235 837 F CA -0.250 57.782 58.000 0.054 0.000 1.236 837 F CB 0.891 39.904 39.000 0.022 0.000 1.855 837 F HN 0.756 nan 8.300 nan 0.000 0.647 838 K N 2.916 123.253 120.400 -0.105 0.000 2.213 838 K HA 0.738 5.085 4.320 0.045 0.000 0.254 838 K C -1.106 175.327 176.600 -0.279 0.000 1.062 838 K CA -1.310 54.961 56.287 -0.026 0.000 0.884 838 K CB 2.170 34.720 32.500 0.084 0.000 1.437 838 K HN 0.343 nan 8.250 nan 0.000 0.464 839 R N 0.168 120.359 120.500 -0.515 0.000 2.873 839 R HA 0.377 4.744 4.340 0.045 0.000 0.264 839 R C -0.730 175.352 176.300 -0.363 0.000 1.026 839 R CA -1.151 54.527 56.100 -0.704 0.000 1.002 839 R CB 2.041 31.562 30.300 -1.299 0.000 1.174 839 R HN 0.574 nan 8.270 nan 0.000 0.488 840 R N 2.005 122.368 120.500 -0.228 0.000 2.346 840 R HA 0.094 4.461 4.340 0.045 0.000 0.311 840 R C 0.831 177.026 176.300 -0.174 0.000 0.983 840 R CA -0.425 55.603 56.100 -0.121 0.000 0.880 840 R CB 1.160 31.384 30.300 -0.127 0.000 1.100 840 R HN 0.536 nan 8.270 nan 0.000 0.453 841 L N 5.450 126.485 121.223 -0.313 0.000 2.013 841 L HA -0.167 4.200 4.340 0.045 0.000 0.212 841 L C 2.104 178.741 176.870 -0.389 0.000 1.073 841 L CA 2.728 57.143 54.840 -0.708 0.000 0.753 841 L CB -0.823 40.967 42.059 -0.447 0.000 0.890 841 L HN 0.902 nan 8.230 nan 0.000 0.432 842 A N -0.259 122.432 122.820 -0.216 0.000 1.892 842 A HA -0.234 4.113 4.320 0.045 0.000 0.218 842 A C 1.558 179.080 177.584 -0.104 0.000 1.188 842 A CA 2.325 54.282 52.037 -0.135 0.000 0.631 842 A CB -0.691 18.251 19.000 -0.096 0.000 0.822 842 A HN 0.757 nan 8.150 nan 0.000 0.447 843 D N -4.570 115.768 120.400 -0.103 0.000 2.567 843 D HA 0.051 4.718 4.640 0.045 0.000 0.268 843 D C -0.110 176.146 176.300 -0.073 0.000 1.448 843 D CA 0.118 54.084 54.000 -0.056 0.000 0.811 843 D CB -1.125 39.654 40.800 -0.036 0.000 1.192 843 D HN 0.236 nan 8.370 nan 0.000 0.488 844 N N 0.265 118.881 118.700 -0.141 0.000 2.714 844 N HA -0.160 4.607 4.740 0.045 0.000 0.250 844 N C 0.220 175.537 175.510 -0.322 0.000 1.117 844 N CA 1.007 53.873 53.050 -0.307 0.000 0.719 844 N CB -1.674 36.519 38.487 -0.490 0.000 1.081 844 N HN 0.634 nan 8.380 nan 0.000 0.557 845 A N 0.300 123.021 122.820 -0.164 0.000 2.445 845 A HA 0.410 4.757 4.320 0.045 0.000 0.242 845 A C 0.727 178.226 177.584 -0.142 0.000 1.075 845 A CA -0.223 51.768 52.037 -0.077 0.000 0.777 845 A CB 0.423 19.406 19.000 -0.029 0.000 1.013 845 A HN 0.352 nan 8.150 nan 0.000 0.493 846 L N 2.989 124.167 121.223 -0.075 0.000 2.319 846 L HA 0.320 4.687 4.340 0.045 0.000 0.280 846 L C -0.698 176.116 176.870 -0.093 0.000 1.099 846 L CA -0.414 54.301 54.840 -0.210 0.000 0.828 846 L CB 0.354 42.197 42.059 -0.359 0.000 1.150 846 L HN 0.506 nan 8.230 nan 0.000 0.442 847 I N 4.261 124.731 120.570 -0.167 0.000 2.330 847 I HA 0.254 4.451 4.170 0.045 0.000 0.289 847 I C 0.282 176.377 176.117 -0.037 0.000 1.001 847 I CA -0.242 61.027 61.300 -0.052 0.000 1.193 847 I CB 1.515 39.474 38.000 -0.067 0.000 1.345 847 I HN 0.543 nan 8.210 nan 0.000 0.461 848 T N 4.213 118.845 114.554 0.129 0.000 2.855 848 T HA 0.689 5.066 4.350 0.045 0.000 0.281 848 T C -0.338 174.488 174.700 0.209 0.000 1.007 848 T CA -0.898 61.327 62.100 0.207 0.000 1.009 848 T CB 2.479 71.570 68.868 0.373 0.000 0.983 848 T HN 0.657 nan 8.240 nan 0.000 0.455 849 R N 1.579 122.213 120.500 0.224 0.000 2.561 849 R HA 0.672 5.038 4.340 0.045 0.000 0.297 849 R C -1.258 175.214 176.300 0.287 0.000 0.969 849 R CA -0.438 55.785 56.100 0.206 0.000 0.879 849 R CB 1.692 32.097 30.300 0.175 0.000 1.178 849 R HN 0.805 nan 8.270 nan 0.000 0.445 850 S N 2.732 118.590 115.700 0.264 0.000 2.570 850 S HA 0.549 5.045 4.470 0.045 0.000 0.286 850 S C -1.776 173.015 174.600 0.319 0.000 1.099 850 S CA -0.703 57.682 58.200 0.309 0.000 0.913 850 S CB 1.414 64.842 63.200 0.379 0.000 1.085 850 S HN 0.581 nan 8.310 nan 0.000 0.480 851 Y N -0.183 120.246 120.300 0.216 0.000 2.562 851 Y HA 0.651 5.227 4.550 0.042 0.000 0.345 851 Y C -0.845 175.157 175.900 0.170 0.000 1.045 851 Y CA -1.191 57.013 58.100 0.173 0.000 1.028 851 Y CB 0.837 39.459 38.460 0.269 0.000 1.297 851 Y HN 0.525 nan 8.280 nan 0.000 0.463 852 N N 3.004 121.835 118.700 0.219 0.000 2.431 852 N HA 0.086 4.852 4.740 0.045 0.000 0.265 852 N C 0.302 175.929 175.510 0.194 0.000 1.184 852 N CA 0.177 53.298 53.050 0.118 0.000 0.943 852 N CB 0.767 39.315 38.487 0.102 0.000 1.080 852 N HN 0.983 nan 8.380 nan 0.000 0.477 853 L N 1.193 122.454 121.223 0.063 0.000 2.551 853 L HA 0.009 4.376 4.340 0.045 0.000 0.228 853 L C 0.928 178.062 176.870 0.440 0.000 1.153 853 L CA 0.452 55.452 54.840 0.267 0.000 0.851 853 L CB -0.185 42.084 42.059 0.350 0.000 0.959 853 L HN 0.382 nan 8.230 nan 0.000 0.451 854 S N -0.751 115.117 115.700 0.281 0.000 2.473 854 S HA 0.276 4.773 4.470 0.045 0.000 0.307 854 S C 0.713 175.436 174.600 0.205 0.000 1.094 854 S CA -0.739 57.650 58.200 0.314 0.000 1.070 854 S CB 1.062 64.413 63.200 0.251 0.000 1.019 854 S HN 0.097 nan 8.310 nan 0.000 0.480 855 N N 3.353 122.166 118.700 0.188 0.000 2.463 855 N HA 0.047 4.814 4.740 0.045 0.000 0.181 855 N C 0.357 175.926 175.510 0.099 0.000 1.078 855 N CA 0.694 53.820 53.050 0.126 0.000 0.902 855 N CB 0.064 38.613 38.487 0.102 0.000 0.970 855 N HN 0.594 nan 8.380 nan 0.000 0.451 856 D N 0.159 120.629 120.400 0.117 0.000 2.320 856 D HA 0.037 4.704 4.640 0.045 0.000 0.228 856 D C 0.277 176.626 176.300 0.082 0.000 0.978 856 D CA 1.100 55.157 54.000 0.094 0.000 0.905 856 D CB 0.269 41.135 40.800 0.110 0.000 1.051 856 D HN 0.242 nan 8.370 nan 0.000 0.471 857 K N 0.931 121.386 120.400 0.092 0.000 2.259 857 K HA 0.459 4.806 4.320 0.045 0.000 0.252 857 K C 0.030 176.647 176.600 0.030 0.000 0.936 857 K CA -0.640 55.683 56.287 0.061 0.000 0.810 857 K CB 1.711 34.253 32.500 0.070 0.000 1.143 857 K HN 0.004 nan 8.250 nan 0.000 0.427 858 T N -1.229 113.339 114.554 0.023 0.000 2.734 858 T HA 0.246 4.623 4.350 0.045 0.000 0.314 858 T C 0.663 175.360 174.700 -0.005 0.000 1.057 858 T CA -0.413 61.694 62.100 0.011 0.000 1.047 858 T CB 0.093 68.970 68.868 0.016 0.000 0.991 858 T HN 0.956 nan 8.240 nan 0.000 0.540 859 C N -0.000 119.300 119.300 0.001 0.000 3.285 859 C HA 0.690 5.176 4.460 0.045 0.000 0.325 859 C C -0.620 174.395 174.990 0.042 0.000 1.304 859 C CA -1.293 57.723 59.018 -0.003 0.000 1.319 859 C CB 0.560 28.267 27.740 -0.055 0.000 1.640 859 C HN 1.069 nan 8.230 nan 0.000 0.477 860 D N 0.186 120.609 120.400 0.039 0.000 2.455 860 D HA 0.399 5.066 4.640 0.045 0.000 0.241 860 D C -0.991 175.384 176.300 0.126 0.000 1.138 860 D CA 0.409 54.449 54.000 0.066 0.000 0.877 860 D CB 0.384 41.200 40.800 0.026 0.000 1.187 860 D HN 0.566 nan 8.370 nan 0.000 0.451 861 F N 2.868 122.814 119.950 -0.007 0.000 2.460 861 F HA 0.347 4.900 4.527 0.044 0.000 0.341 861 F C 0.122 175.933 175.800 0.017 0.000 1.130 861 F CA -0.467 57.535 58.000 0.004 0.000 0.962 861 F CB 1.392 40.399 39.000 0.012 0.000 1.171 861 F HN 0.364 nan 8.300 nan 0.000 0.436 862 S N 5.232 120.625 115.700 -0.511 0.000 2.937 862 S HA 0.211 4.708 4.470 0.045 0.000 0.252 862 S C -0.297 174.058 174.600 -0.409 0.000 1.022 862 S CA -0.439 57.564 58.200 -0.328 0.000 1.079 862 S CB -0.315 62.787 63.200 -0.163 0.000 1.035 862 S HN 0.565 nan 8.310 nan 0.000 0.594 863 L N 3.258 124.000 121.223 -0.801 0.000 2.615 863 L HA 0.441 4.807 4.340 0.045 0.000 0.284 863 L C -0.042 176.788 176.870 -0.067 0.000 1.237 863 L CA 1.040 55.608 54.840 -0.454 0.000 0.905 863 L CB 0.752 42.536 42.059 -0.458 0.000 1.149 863 L HN 0.393 nan 8.230 nan 0.000 0.499 864 S N 4.894 120.509 115.700 -0.142 0.000 2.575 864 S HA 0.659 5.156 4.470 0.045 0.000 0.278 864 S C -1.273 173.089 174.600 -0.396 0.000 1.139 864 S CA -0.752 57.383 58.200 -0.109 0.000 0.954 864 S CB 0.862 64.042 63.200 -0.033 0.000 1.054 864 S HN 0.472 nan 8.310 nan 0.000 0.483 865 L N 5.857 126.664 121.223 -0.694 0.000 2.277 865 L HA 0.516 4.883 4.340 0.045 0.000 0.284 865 L C -2.299 174.511 176.870 -0.100 0.000 1.028 865 L CA -1.744 52.770 54.840 -0.542 0.000 0.835 865 L CB 1.220 42.667 42.059 -1.019 0.000 1.215 865 L HN 0.460 nan 8.230 nan 0.000 0.425 866 P HA 0.117 nan 4.420 nan 0.000 0.264 866 P C 0.044 177.419 177.300 0.124 0.000 1.183 866 P CA 0.388 63.494 63.100 0.009 0.000 0.763 866 P CB 0.378 32.036 31.700 -0.069 0.000 0.807 867 N N -1.024 117.725 118.700 0.083 0.000 2.965 867 N HA -0.203 4.564 4.740 0.045 0.000 0.232 867 N C -0.681 174.768 175.510 -0.101 0.000 0.913 867 N CA 1.280 54.318 53.050 -0.021 0.000 0.981 867 N CB -1.783 36.641 38.487 -0.104 0.000 1.077 867 N HN 0.484 nan 8.380 nan 0.000 0.589 868 Y N 0.354 120.729 120.300 0.124 0.000 2.524 868 Y HA 0.561 5.138 4.550 0.045 0.000 0.344 868 Y C 0.465 176.592 175.900 0.378 0.000 1.012 868 Y CA -0.864 57.392 58.100 0.260 0.000 1.068 868 Y CB 1.363 40.024 38.460 0.334 0.000 1.249 868 Y HN -0.164 nan 8.280 nan 0.000 0.468 869 N N 0.969 119.951 118.700 0.469 0.000 2.284 869 N HA 0.666 5.433 4.740 0.045 0.000 0.300 869 N C -1.241 174.278 175.510 0.015 0.000 1.047 869 N CA -0.623 52.574 53.050 0.244 0.000 0.821 869 N CB 2.168 40.716 38.487 0.102 0.000 1.337 869 N HN 0.718 nan 8.380 nan 0.000 0.482 870 A N 1.603 124.190 122.820 -0.387 0.000 2.312 870 A HA 0.672 5.019 4.320 0.045 0.000 0.328 870 A C -0.183 177.136 177.584 -0.443 0.000 1.158 870 A CA -0.520 51.000 52.037 -0.862 0.000 0.821 870 A CB 0.772 18.791 19.000 -1.634 0.000 1.170 870 A HN 0.701 nan 8.150 nan 0.000 0.490 871 K N 0.728 120.891 120.400 -0.395 0.000 2.477 871 K HA 0.670 5.017 4.320 0.045 0.000 0.255 871 K C -1.397 175.060 176.600 -0.238 0.000 0.952 871 K CA -0.825 55.312 56.287 -0.251 0.000 0.826 871 K CB 1.661 34.067 32.500 -0.157 0.000 1.331 871 K HN 0.248 nan 8.250 nan 0.000 0.437 872 V N 2.000 121.806 119.914 -0.180 0.000 2.555 872 V HA 0.172 4.318 4.120 0.045 0.000 0.286 872 V C 0.469 176.486 176.094 -0.128 0.000 1.044 872 V CA 0.020 62.227 62.300 -0.156 0.000 1.026 872 V CB 0.689 32.430 31.823 -0.136 0.000 0.981 872 V HN 1.020 nan 8.190 nan 0.000 0.480 873 T N 1.407 115.889 114.554 -0.121 0.000 2.926 873 T HA 0.531 4.908 4.350 0.045 0.000 0.289 873 T C -0.210 174.431 174.700 -0.099 0.000 1.054 873 T CA -0.998 61.042 62.100 -0.100 0.000 1.015 873 T CB 1.815 70.628 68.868 -0.091 0.000 1.167 873 T HN 0.686 nan 8.240 nan 0.000 0.526 874 N N 0.778 119.425 118.700 -0.089 0.000 2.364 874 N HA 0.175 4.942 4.740 0.045 0.000 0.264 874 N C 1.227 176.678 175.510 -0.097 0.000 1.263 874 N CA -0.943 52.052 53.050 -0.093 0.000 0.959 874 N CB -0.267 38.174 38.487 -0.078 0.000 1.204 874 N HN 0.671 nan 8.380 nan 0.000 0.550 875 L N -1.057 120.100 121.223 -0.110 0.000 2.187 875 L HA -0.087 4.279 4.340 0.045 0.000 0.213 875 L C 1.556 178.373 176.870 -0.088 0.000 1.100 875 L CA 1.056 55.826 54.840 -0.117 0.000 0.765 875 L CB -0.509 41.467 42.059 -0.139 0.000 0.904 875 L HN 0.453 nan 8.230 nan 0.000 0.437 876 L N -0.651 120.529 121.223 -0.073 0.000 2.629 876 L HA 0.081 4.448 4.340 0.045 0.000 0.230 876 L C 0.385 177.216 176.870 -0.064 0.000 1.151 876 L CA 0.045 54.848 54.840 -0.062 0.000 0.924 876 L CB -0.345 41.688 42.059 -0.042 0.000 1.137 876 L HN 0.262 nan 8.230 nan 0.000 0.457 877 E N -1.065 119.092 120.200 -0.070 0.000 3.181 877 E HA -0.149 4.228 4.350 0.045 0.000 0.293 877 E C -0.254 176.305 176.600 -0.069 0.000 0.936 877 E CA 0.330 56.687 56.400 -0.072 0.000 0.975 877 E CB -0.785 28.870 29.700 -0.074 0.000 1.496 877 E HN 0.257 nan 8.360 nan 0.000 0.429 878 K N 1.881 122.242 120.400 -0.064 0.000 2.227 878 K HA 0.179 4.526 4.320 0.045 0.000 0.280 878 K C -0.091 176.471 176.600 -0.064 0.000 1.041 878 K CA -0.385 55.866 56.287 -0.059 0.000 0.905 878 K CB 0.756 33.226 32.500 -0.050 0.000 1.068 878 K HN 0.054 nan 8.250 nan 0.000 0.470 879 D N 1.593 121.954 120.400 -0.064 0.000 2.472 879 D HA -0.019 4.647 4.640 0.045 0.000 0.237 879 D C 0.512 176.774 176.300 -0.063 0.000 1.141 879 D CA 0.647 54.606 54.000 -0.068 0.000 0.875 879 D CB 0.796 41.558 40.800 -0.063 0.000 1.192 879 D HN 0.500 nan 8.370 nan 0.000 0.450 880 S N -0.006 115.652 115.700 -0.070 0.000 2.689 880 S HA 0.575 5.072 4.470 0.045 0.000 0.306 880 S C 0.870 175.433 174.600 -0.062 0.000 1.104 880 S CA -0.661 57.502 58.200 -0.063 0.000 0.973 880 S CB 1.749 64.909 63.200 -0.067 0.000 1.121 880 S HN 0.466 nan 8.310 nan 0.000 0.523 881 K N -0.489 119.879 120.400 -0.054 0.000 2.366 881 K HA 0.176 4.523 4.320 0.045 0.000 0.198 881 K C 1.067 177.635 176.600 -0.054 0.000 1.044 881 K CA 0.870 57.127 56.287 -0.049 0.000 0.973 881 K CB -0.880 31.596 32.500 -0.040 0.000 0.767 881 K HN 0.742 nan 8.250 nan 0.000 0.475 882 Q N 1.533 121.296 119.800 -0.060 0.000 2.333 882 Q HA 0.080 4.447 4.340 0.045 0.000 0.299 882 Q C -0.340 175.616 176.000 -0.073 0.000 1.067 882 Q CA 0.391 56.155 55.803 -0.064 0.000 0.943 882 Q CB 0.430 29.125 28.738 -0.072 0.000 1.233 882 Q HN 0.616 nan 8.270 nan 0.000 0.401 883 S N 1.755 117.416 115.700 -0.065 0.000 2.608 883 S HA 0.322 4.819 4.470 0.045 0.000 0.291 883 S C -0.430 174.127 174.600 -0.072 0.000 1.146 883 S CA -0.944 57.216 58.200 -0.066 0.000 1.043 883 S CB 1.604 64.776 63.200 -0.047 0.000 1.037 883 S HN 0.601 nan 8.310 nan 0.000 0.520 884 T N 4.207 118.714 114.554 -0.078 0.000 2.738 884 T HA 0.184 4.561 4.350 0.045 0.000 0.277 884 T C -2.067 172.621 174.700 -0.019 0.000 0.981 884 T CA -0.318 61.743 62.100 -0.065 0.000 1.211 884 T CB -0.913 67.919 68.868 -0.059 0.000 0.932 884 T HN 0.518 nan 8.240 nan 0.000 0.522 885 P HA 0.146 nan 4.420 nan 0.000 0.270 885 P C 0.605 177.958 177.300 0.089 0.000 1.223 885 P CA -0.420 62.669 63.100 -0.018 0.000 0.785 885 P CB 0.533 32.172 31.700 -0.101 0.000 0.923 886 S N -1.819 113.935 115.700 0.090 0.000 2.512 886 S HA 0.300 4.797 4.470 0.045 0.000 0.216 886 S C 0.738 175.429 174.600 0.152 0.000 1.006 886 S CA -0.037 58.247 58.200 0.141 0.000 0.915 886 S CB -0.309 62.938 63.200 0.080 0.000 0.824 886 S HN 0.656 nan 8.310 nan 0.000 0.497 887 Q N 0.831 120.690 119.800 0.098 0.000 2.394 887 Q HA 0.791 5.158 4.340 0.045 0.000 0.273 887 Q C -1.103 174.915 176.000 0.030 0.000 1.089 887 Q CA -0.895 54.957 55.803 0.082 0.000 0.812 887 Q CB 0.992 29.756 28.738 0.042 0.000 1.353 887 Q HN 0.508 nan 8.270 nan 0.000 0.438 888 L N 2.129 123.373 121.223 0.035 0.000 2.289 888 L HA 0.680 5.047 4.340 0.045 0.000 0.285 888 L C 1.099 177.962 176.870 -0.012 0.000 1.049 888 L CA -1.020 53.801 54.840 -0.032 0.000 0.804 888 L CB 1.590 43.637 42.059 -0.019 0.000 1.195 888 L HN 0.982 nan 8.230 nan 0.000 0.428 889 G N 2.334 111.118 108.800 -0.027 0.000 2.594 889 G HA2 0.152 4.139 3.960 0.045 0.000 0.243 889 G HA3 0.152 4.139 3.960 0.045 0.000 0.243 889 G C -0.339 174.566 174.900 0.008 0.000 1.229 889 G CA -0.671 44.423 45.100 -0.010 0.000 0.843 889 G HN 0.744 nan 8.290 nan 0.000 0.578 890 K N 0.133 120.545 120.400 0.020 0.000 2.491 890 K HA 0.324 4.671 4.320 0.045 0.000 0.279 890 K C 0.861 177.490 176.600 0.049 0.000 1.026 890 K CA 0.479 56.791 56.287 0.041 0.000 1.070 890 K CB 0.308 32.834 32.500 0.043 0.000 0.887 890 K HN 1.467 nan 8.250 nan 0.000 0.481 891 A N 1.018 123.890 122.820 0.086 0.000 2.816 891 A HA -0.286 4.060 4.320 0.045 0.000 0.270 891 A C 0.243 177.873 177.584 0.077 0.000 1.413 891 A CA 1.376 53.480 52.037 0.113 0.000 0.866 891 A CB -2.036 17.015 19.000 0.084 0.000 1.032 891 A HN 0.908 nan 8.150 nan 0.000 0.642 892 E N -0.637 119.593 120.200 0.050 0.000 2.360 892 E HA 0.487 4.863 4.350 0.045 0.000 0.269 892 E C -0.224 176.383 176.600 0.011 0.000 1.022 892 E CA -0.390 56.005 56.400 -0.009 0.000 0.887 892 E CB 0.304 29.974 29.700 -0.050 0.000 0.990 892 E HN 0.520 nan 8.360 nan 0.000 0.426 893 I N 5.145 125.668 120.570 -0.079 0.000 2.354 893 I HA 0.240 4.437 4.170 0.045 0.000 0.292 893 I C -0.784 175.234 176.117 -0.164 0.000 0.989 893 I CA -0.769 60.453 61.300 -0.131 0.000 1.188 893 I CB 1.273 39.039 38.000 -0.389 0.000 1.342 893 I HN 0.389 nan 8.210 nan 0.000 0.457 894 L N 6.447 127.588 121.223 -0.137 0.000 2.349 894 L HA 0.589 4.956 4.340 0.045 0.000 0.278 894 L C -0.567 176.241 176.870 -0.104 0.000 0.996 894 L CA 0.218 54.950 54.840 -0.180 0.000 0.825 894 L CB 1.825 43.678 42.059 -0.343 0.000 1.243 894 L HN 0.511 nan 8.230 nan 0.000 0.412 895 T N 6.266 120.756 114.554 -0.107 0.000 2.771 895 T HA 0.670 5.047 4.350 0.045 0.000 0.281 895 T C -0.402 174.256 174.700 -0.070 0.000 0.982 895 T CA -0.331 61.734 62.100 -0.058 0.000 0.978 895 T CB 0.890 69.710 68.868 -0.080 0.000 0.930 895 T HN 0.437 nan 8.240 nan 0.000 0.447 896 L N 2.043 123.254 121.223 -0.020 0.000 2.370 896 L HA 0.828 5.195 4.340 0.045 0.000 0.266 896 L C -0.142 176.660 176.870 -0.114 0.000 1.002 896 L CA -1.359 53.405 54.840 -0.126 0.000 0.818 896 L CB 1.901 43.868 42.059 -0.152 0.000 1.325 896 L HN 0.678 nan 8.230 nan 0.000 0.418 897 A N 1.769 124.455 122.820 -0.224 0.000 2.303 897 A HA 0.699 5.046 4.320 0.045 0.000 0.320 897 A C -1.864 175.599 177.584 -0.202 0.000 1.192 897 A CA -0.295 51.667 52.037 -0.125 0.000 0.821 897 A CB 0.442 19.385 19.000 -0.094 0.000 1.188 897 A HN 0.640 nan 8.150 nan 0.000 0.492 898 W N 2.124 123.408 121.300 -0.027 0.000 2.475 898 W HA 0.590 5.276 4.660 0.044 0.000 0.317 898 W C 0.141 176.794 176.519 0.223 0.000 1.046 898 W CA -0.323 57.066 57.345 0.073 0.000 1.215 898 W CB 1.695 31.129 29.460 -0.044 0.000 1.335 898 W HN 0.532 nan 8.180 nan 0.000 0.471 899 K N 2.136 122.807 120.400 0.453 0.000 2.207 899 K HA 0.655 5.002 4.320 0.045 0.000 0.255 899 K C 0.218 176.944 176.600 0.211 0.000 0.941 899 K CA -1.018 55.470 56.287 0.334 0.000 0.825 899 K CB 1.218 33.802 32.500 0.140 0.000 1.119 899 K HN 0.351 nan 8.250 nan 0.000 0.430 900 K N 2.500 122.858 120.400 -0.071 0.000 2.448 900 K HA 0.003 4.350 4.320 0.045 0.000 0.278 900 K C 0.180 176.686 176.600 -0.157 0.000 1.009 900 K CA 0.094 56.125 56.287 -0.427 0.000 0.995 900 K CB -0.127 32.159 32.500 -0.356 0.000 0.917 900 K HN 0.749 nan 8.250 nan 0.000 0.481 901 Q N 0.000 119.710 119.800 -0.150 0.000 2.315 901 Q HA 0.000 4.367 4.340 0.045 0.000 0.214 901 Q CA 0.000 55.771 55.803 -0.053 0.000 1.022 901 Q CB 0.000 28.729 28.738 -0.015 0.000 1.108 901 Q HN 0.000 nan 8.270 nan 0.000 0.481