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 1tg7_1_A DATA FIRST_RESID 41 DATA SEQUENCE LLQKYVTWDE HSIFVNGERL MIFSGEVHPY RLPVASLYID IFEKVKALGF DATA SEQUENCE NCVSFYVDWA LLEGNPGHYS AEGIFDLQPF FDAAKEAGIY LLARPGPYIN DATA SEQUENCE AEVSGGGFPG WLQRVDGILR TSDEAYLKAT DNYASNIAAT IAKAQITNGG DATA SEQUENCE PIILYQPENE YSGACCGYNG FPDGSYMQYI EDHARDAGIV VPFISNDAWA DATA SEQUENCE AGHNAPGTGA GAVDIYGHDS YPLGFDcANP STWPSGNLPT YFHTSHEQQS DATA SEQUENCE PSTPYSLVEF QGGAFDPWGG VGFAKcAALL NHEFERVFYK NDFSFGVAFL DATA SEQUENCE NLYMIFGGTN WGNLGHPGGY TSYDYGSAIS ESRNITREKY SELKLLGNFA DATA SEQUENCE KVSPGYLVAN PGDLSTSTYT NTADLTVTPL LGSNSSASSF FVIRHSDYSS DATA SEQUENCE QASVEYKLTV PTSAGNLTIP QLGGSLTLSG RDSKIHVTDY DVAGTNILYS DATA SEQUENCE TAEVFTWKKF NNEKVLVLYG GPGEHHEFAV SGASSSSVVE GSSSGISSKK DATA SEQUENCE VGKALVVAWD VSTARRIVQV GSLKVFLLDR NSAYNYWVPQ VPTKGTAPGY DATA SEQUENCE SNQETTASSI IVKAGYLVRS AYLDGNDLHI QADFNATTPI EVVGAPSGAK DATA SEQUENCE NLVINGKKTQ TKVDKNGIWS ASVAYTAPKV QLPSLKSLKW KSVDTLPEAK DATA SEQUENCE NTYDDSAWTS ADHAYTNNSA HSLQTPTSLF ASDYGYHTGA LLFRGHFTAN DATA SEQUENCE GKEKTFFVQT KGGTAYGHSI WINETYVGSW AGTSINDNNN ATYTLPTLQS DATA SEQUENCE GKNYVITVVI DNMGLDEDWT IGSEDMKNPR GIIQYSLSGQ EASAISWKLT DATA SEQUENCE GNLGGENYRD TVRGPLNEGG LYAERQGFHQ PQPPTQKWDS SSPFTGLTKP DATA SEQUENCE GIRFYSTSFD LDLPSGYDIP LYFNFGNSTS TPAAYRVQLY VNGYQYGKYV DATA SEQUENCE NNIGPQTSFP VPEGILNYHG TNWLALSLWA QEDNGAKLDS FELINTTPVL DATA SEQUENCE TSLGEVKSVN QPKYQARKGA Y 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 41 L HA 0.000 nan 4.340 nan 0.000 0.249 41 L C 0.000 176.843 176.870 -0.044 0.000 1.165 41 L CA 0.000 54.805 54.840 -0.059 0.000 0.813 41 L CB 0.000 42.062 42.059 0.006 0.000 0.961 42 L N 0.829 122.032 121.223 -0.033 0.000 2.567 42 L HA 0.133 4.473 4.340 0.000 0.000 0.225 42 L C 0.011 176.866 176.870 -0.025 0.000 1.119 42 L CA 0.313 55.129 54.840 -0.040 0.000 0.871 42 L CB 0.124 42.145 42.059 -0.063 0.000 1.036 42 L HN 0.426 nan 8.230 nan 0.000 0.459 43 Q N -2.366 117.428 119.800 -0.011 0.000 2.633 43 Q HA 0.294 4.634 4.340 0.000 0.000 0.289 43 Q C -0.708 175.305 176.000 0.022 0.000 0.940 43 Q CA -0.811 55.016 55.803 0.040 0.000 0.785 43 Q CB 1.034 29.823 28.738 0.085 0.000 1.467 43 Q HN -0.172 nan 8.270 nan 0.000 0.401 44 K N -0.195 120.223 120.400 0.030 0.000 2.387 44 K HA 0.229 4.549 4.320 0.000 0.000 0.203 44 K C 0.193 176.733 176.600 -0.099 0.000 1.030 44 K CA 0.090 56.327 56.287 -0.084 0.000 1.099 44 K CB 0.353 32.755 32.500 -0.163 0.000 0.863 44 K HN 0.486 nan 8.250 nan 0.000 0.529 45 Y N 0.642 120.909 120.300 -0.055 0.000 2.263 45 Y HA -0.062 4.488 4.550 0.000 0.000 0.292 45 Y C 0.938 176.809 175.900 -0.048 0.000 1.130 45 Y CA 0.433 58.502 58.100 -0.052 0.000 1.179 45 Y CB 0.564 38.985 38.460 -0.064 0.000 0.998 45 Y HN -0.289 nan 8.280 nan 0.000 0.532 46 V N 1.274 121.265 119.914 0.128 0.000 2.409 46 V HA 0.402 4.522 4.120 0.000 0.000 0.290 46 V C -0.084 176.108 176.094 0.163 0.000 1.017 46 V CA -0.511 61.855 62.300 0.111 0.000 0.841 46 V CB 1.042 32.906 31.823 0.068 0.000 1.003 46 V HN 0.238 nan 8.190 nan 0.000 0.426 47 T N 0.668 115.329 114.554 0.179 0.000 2.742 47 T HA 0.928 5.278 4.350 0.000 0.000 0.282 47 T C -0.987 173.932 174.700 0.366 0.000 1.025 47 T CA -0.756 61.386 62.100 0.070 0.000 1.020 47 T CB 2.600 71.320 68.868 -0.247 0.000 1.317 47 T HN 1.062 nan 8.240 nan 0.000 0.538 48 W N 0.099 121.457 121.300 0.095 0.000 2.982 48 W HA 0.668 5.329 4.660 0.000 0.000 0.344 48 W C -2.062 174.554 176.519 0.162 0.000 1.215 48 W CA -0.609 56.880 57.345 0.241 0.000 1.182 48 W CB 0.203 29.749 29.460 0.143 0.000 1.437 48 W HN 1.008 nan 8.180 nan 0.000 0.570 49 D N -1.140 119.546 120.400 0.477 0.000 2.812 49 D HA 0.191 4.831 4.640 0.000 0.000 0.318 49 D C 0.904 177.411 176.300 0.345 0.000 1.234 49 D CA -0.029 54.154 54.000 0.304 0.000 0.989 49 D CB 0.331 41.282 40.800 0.252 0.000 1.442 49 D HN 0.666 nan 8.370 nan 0.000 0.537 50 E N -0.827 119.477 120.200 0.174 0.000 2.204 50 E HA -0.249 4.101 4.350 0.000 0.000 0.195 50 E C 1.064 177.648 176.600 -0.028 0.000 0.990 50 E CA 1.160 57.594 56.400 0.056 0.000 0.821 50 E CB -0.386 29.249 29.700 -0.107 0.000 0.750 50 E HN 0.417 nan 8.360 nan 0.000 0.477 51 H N 0.392 119.556 119.070 0.158 0.000 2.431 51 H HA 0.187 4.743 4.556 0.000 0.000 0.295 51 H C 1.087 176.418 175.328 0.004 0.000 1.038 51 H CA 1.283 57.364 56.048 0.055 0.000 1.360 51 H CB 0.771 30.539 29.762 0.009 0.000 1.433 51 H HN 0.306 nan 8.280 nan 0.000 0.536 52 S N -0.606 115.195 115.700 0.168 0.000 2.655 52 S HA 0.373 4.843 4.470 0.000 0.000 0.266 52 S C -0.899 173.791 174.600 0.150 0.000 1.149 52 S CA -0.964 57.267 58.200 0.051 0.000 0.818 52 S CB 1.128 64.250 63.200 -0.130 0.000 1.130 52 S HN 0.024 nan 8.310 nan 0.000 0.476 53 I N 1.085 121.716 120.570 0.102 0.000 2.612 53 I HA 0.461 4.631 4.170 0.000 0.000 0.295 53 I C -0.997 175.183 176.117 0.105 0.000 1.011 53 I CA -0.546 60.895 61.300 0.234 0.000 1.326 53 I CB 0.700 38.795 38.000 0.158 0.000 1.427 53 I HN 0.493 nan 8.210 nan 0.000 0.537 54 F N 3.944 123.946 119.950 0.087 0.000 2.495 54 F HA 0.507 5.034 4.527 0.000 0.000 0.327 54 F C -0.202 175.596 175.800 -0.002 0.000 1.103 54 F CA -0.762 57.256 58.000 0.030 0.000 0.949 54 F CB 1.761 40.764 39.000 0.005 0.000 1.142 54 F HN -0.074 nan 8.300 nan 0.000 0.457 55 V N 3.827 123.816 119.914 0.126 0.000 2.444 55 V HA 0.316 4.436 4.120 0.000 0.000 0.294 55 V C -0.256 175.871 176.094 0.056 0.000 1.022 55 V CA -1.168 61.142 62.300 0.017 0.000 0.850 55 V CB 1.355 33.094 31.823 -0.140 0.000 0.992 55 V HN 0.848 nan 8.190 nan 0.000 0.426 56 N N 3.888 122.609 118.700 0.035 0.000 2.754 56 N HA -0.202 4.538 4.740 0.000 0.000 0.248 56 N C 1.139 176.655 175.510 0.011 0.000 1.093 56 N CA 1.388 54.433 53.050 -0.008 0.000 0.699 56 N CB -1.065 37.447 38.487 0.041 0.000 1.016 56 N HN 1.568 nan 8.380 nan 0.000 0.552 57 G N -0.427 108.403 108.800 0.050 0.000 2.155 57 G HA2 -0.335 3.625 3.960 0.000 0.000 0.257 57 G HA3 -0.335 3.625 3.960 0.000 0.000 0.257 57 G C -0.216 174.839 174.900 0.258 0.000 0.983 57 G CA 0.829 45.983 45.100 0.091 0.000 0.676 57 G HN 0.648 nan 8.290 nan 0.000 0.528 58 E N -0.081 120.265 120.200 0.243 0.000 2.210 58 E HA 0.495 4.846 4.350 0.000 0.000 0.266 58 E C 0.579 177.175 176.600 -0.008 0.000 0.883 58 E CA -1.060 55.432 56.400 0.153 0.000 0.761 58 E CB 0.966 30.711 29.700 0.074 0.000 1.156 58 E HN 0.335 nan 8.360 nan 0.000 0.412 59 R N 2.184 122.513 120.500 -0.286 0.000 2.640 59 R HA 0.163 4.503 4.340 0.000 0.000 0.270 59 R C -0.647 175.512 176.300 -0.234 0.000 1.024 59 R CA 0.116 55.873 56.100 -0.572 0.000 1.085 59 R CB 0.317 30.267 30.300 -0.583 0.000 0.963 59 R HN 0.252 nan 8.270 nan 0.000 0.426 60 L N 3.598 124.707 121.223 -0.190 0.000 2.476 60 L HA 0.267 4.607 4.340 0.000 0.000 0.269 60 L C -0.917 175.917 176.870 -0.060 0.000 0.965 60 L CA -0.419 54.380 54.840 -0.070 0.000 0.845 60 L CB 1.941 44.000 42.059 -0.001 0.000 1.259 60 L HN 0.540 nan 8.230 nan 0.000 0.403 61 M N 6.245 125.819 119.600 -0.044 0.000 2.156 61 M HA 0.323 4.803 4.480 0.000 0.000 0.345 61 M C -1.156 175.111 176.300 -0.055 0.000 1.398 61 M CA -0.111 55.157 55.300 -0.053 0.000 1.148 61 M CB 0.208 32.801 32.600 -0.011 0.000 1.663 61 M HN 0.405 nan 8.290 nan 0.000 0.464 62 I N 6.895 127.407 120.570 -0.097 0.000 2.297 62 I HA 0.224 4.394 4.170 0.000 0.000 0.291 62 I C -0.802 175.051 176.117 -0.440 0.000 1.033 62 I CA -0.367 60.842 61.300 -0.152 0.000 1.253 62 I CB -0.018 37.967 38.000 -0.026 0.000 1.396 62 I HN 0.478 nan 8.210 nan 0.000 0.476 63 F N 5.416 125.064 119.950 -0.503 0.000 2.347 63 F HA 0.447 4.974 4.527 0.000 0.000 0.366 63 F C 0.438 175.752 175.800 -0.811 0.000 1.107 63 F CA -0.554 56.981 58.000 -0.775 0.000 1.058 63 F CB 1.407 39.898 39.000 -0.849 0.000 1.236 63 F HN 0.432 nan 8.300 nan 0.000 0.456 64 S N 2.886 118.372 115.700 -0.357 0.000 2.677 64 S HA 0.939 5.409 4.470 0.000 0.000 0.304 64 S C -0.472 174.250 174.600 0.203 0.000 1.108 64 S CA -0.365 57.790 58.200 -0.075 0.000 0.944 64 S CB 1.653 64.769 63.200 -0.141 0.000 1.127 64 S HN 0.869 nan 8.310 nan 0.000 0.511 65 G N 1.077 110.081 108.800 0.341 0.000 2.617 65 G HA2 0.518 4.478 3.960 0.000 0.000 0.306 65 G HA3 0.518 4.478 3.960 0.000 0.000 0.306 65 G C -1.566 173.450 174.900 0.193 0.000 1.360 65 G CA -0.549 44.739 45.100 0.312 0.000 0.983 65 G HN 0.638 nan 8.290 nan 0.000 0.496 66 E N 0.697 120.950 120.200 0.089 0.000 2.259 66 E HA 0.488 4.838 4.350 0.000 0.000 0.281 66 E C -0.542 175.990 176.600 -0.113 0.000 1.037 66 E CA -0.119 56.265 56.400 -0.026 0.000 0.854 66 E CB 1.291 30.841 29.700 -0.249 0.000 1.051 66 E HN 0.228 nan 8.360 nan 0.000 0.409 67 V N 5.278 125.217 119.914 0.042 0.000 2.686 67 V HA 0.268 4.388 4.120 0.000 0.000 0.306 67 V C -0.992 175.219 176.094 0.196 0.000 1.065 67 V CA -0.775 61.573 62.300 0.080 0.000 0.894 67 V CB 1.894 33.841 31.823 0.206 0.000 1.004 67 V HN 0.760 nan 8.190 nan 0.000 0.424 68 H N 6.045 125.057 119.070 -0.097 0.000 2.623 68 H HA 0.254 4.810 4.556 0.000 0.000 0.299 68 H C -1.574 173.446 175.328 -0.513 0.000 1.052 68 H CA -2.062 53.754 56.048 -0.388 0.000 1.231 68 H CB 2.127 31.481 29.762 -0.681 0.000 1.389 68 H HN 0.459 nan 8.280 nan 0.000 0.469 69 P HA -0.278 nan 4.420 nan 0.000 0.216 69 P C 1.116 178.404 177.300 -0.020 0.000 1.150 69 P CA 1.551 64.298 63.100 -0.588 0.000 0.843 69 P CB -0.029 30.950 31.700 -1.202 0.000 0.787 70 Y N -0.707 119.690 120.300 0.162 0.000 2.571 70 Y HA 0.167 4.717 4.550 0.000 0.000 0.294 70 Y C 2.110 178.274 175.900 0.441 0.000 1.141 70 Y CA 0.082 58.375 58.100 0.321 0.000 1.308 70 Y CB -1.391 37.236 38.460 0.278 0.000 1.002 70 Y HN -0.201 nan 8.280 nan 0.000 0.551 71 R N 0.257 120.805 120.500 0.080 0.000 2.317 71 R HA 0.258 4.598 4.340 0.000 0.000 0.208 71 R C -0.599 175.903 176.300 0.337 0.000 0.914 71 R CA 0.005 56.250 56.100 0.241 0.000 1.060 71 R CB 0.274 30.567 30.300 -0.011 0.000 1.015 71 R HN 0.266 nan 8.270 nan 0.000 0.498 72 L N 1.074 122.496 121.223 0.332 0.000 2.457 72 L HA 0.318 4.658 4.340 0.000 0.000 0.259 72 L C -2.526 174.400 176.870 0.093 0.000 1.377 72 L CA -1.866 53.133 54.840 0.264 0.000 0.887 72 L CB 1.703 43.993 42.059 0.384 0.000 1.085 72 L HN -0.183 nan 8.230 nan 0.000 0.509 73 P HA 0.045 nan 4.420 nan 0.000 0.269 73 P C -0.612 176.473 177.300 -0.358 0.000 1.601 73 P CA 0.319 63.279 63.100 -0.233 0.000 0.831 73 P CB 0.017 31.386 31.700 -0.552 0.000 1.688 74 V N 0.460 120.137 119.914 -0.396 0.000 2.340 74 V HA 0.314 4.434 4.120 0.000 0.000 0.277 74 V C 1.649 177.367 176.094 -0.627 0.000 1.017 74 V CA -0.360 61.686 62.300 -0.425 0.000 0.820 74 V CB 0.909 32.522 31.823 -0.349 0.000 1.028 74 V HN 0.050 nan 8.190 nan 0.000 0.436 75 A N 3.303 125.821 122.820 -0.503 0.000 1.927 75 A HA -0.167 4.153 4.320 0.000 0.000 0.220 75 A C 2.264 179.651 177.584 -0.328 0.000 1.185 75 A CA 2.664 54.428 52.037 -0.454 0.000 0.639 75 A CB -0.362 18.579 19.000 -0.097 0.000 0.820 75 A HN 0.693 nan 8.150 nan 0.000 0.451 76 S N -0.610 114.949 115.700 -0.236 0.000 2.442 76 S HA -0.016 4.454 4.470 0.000 0.000 0.236 76 S C 1.464 175.970 174.600 -0.156 0.000 1.007 76 S CA 1.194 59.304 58.200 -0.149 0.000 0.965 76 S CB -0.303 62.815 63.200 -0.135 0.000 0.773 76 S HN 0.524 nan 8.310 nan 0.000 0.504 77 L N -0.459 120.609 121.223 -0.258 0.000 2.567 77 L HA 0.132 4.473 4.340 0.000 0.000 0.225 77 L C 1.551 178.353 176.870 -0.113 0.000 1.119 77 L CA 0.235 54.951 54.840 -0.207 0.000 0.871 77 L CB -0.298 41.614 42.059 -0.245 0.000 1.036 77 L HN 0.241 nan 8.230 nan 0.000 0.459 78 Y N -0.033 120.270 120.300 0.004 0.000 2.181 78 Y HA -0.274 4.276 4.550 0.000 0.000 0.288 78 Y C 2.416 178.370 175.900 0.089 0.000 1.146 78 Y CA 0.965 59.103 58.100 0.063 0.000 1.164 78 Y CB -0.530 38.090 38.460 0.266 0.000 0.982 78 Y HN 0.086 nan 8.280 nan 0.000 0.515 79 I N 0.617 121.340 120.570 0.255 0.000 2.335 79 I HA -0.277 3.893 4.170 0.000 0.000 0.251 79 I C 2.025 178.193 176.117 0.085 0.000 1.129 79 I CA 1.677 63.091 61.300 0.190 0.000 1.402 79 I CB -0.602 37.446 38.000 0.080 0.000 1.069 79 I HN 0.167 nan 8.210 nan 0.000 0.424 80 D N 0.011 120.407 120.400 -0.006 0.000 2.097 80 D HA -0.187 4.453 4.640 0.000 0.000 0.195 80 D C 2.123 178.349 176.300 -0.124 0.000 0.989 80 D CA 1.548 55.502 54.000 -0.078 0.000 0.827 80 D CB 0.002 40.728 40.800 -0.124 0.000 0.966 80 D HN 0.285 nan 8.370 nan 0.000 0.456 81 I N 0.111 120.557 120.570 -0.208 0.000 2.179 81 I HA -0.214 3.956 4.170 0.000 0.000 0.242 81 I C 2.120 178.097 176.117 -0.232 0.000 1.088 81 I CA 0.986 62.088 61.300 -0.329 0.000 1.357 81 I CB -1.396 36.304 38.000 -0.498 0.000 1.051 81 I HN 0.064 nan 8.210 nan 0.000 0.409 82 F N 1.552 121.465 119.950 -0.060 0.000 2.134 82 F HA -0.159 4.368 4.527 0.000 0.000 0.299 82 F C 2.616 178.385 175.800 -0.053 0.000 1.097 82 F CA 1.244 59.207 58.000 -0.062 0.000 1.264 82 F CB -0.733 38.207 39.000 -0.100 0.000 1.001 82 F HN 0.208 nan 8.300 nan 0.000 0.479 83 E N -0.042 120.224 120.200 0.111 0.000 2.150 83 E HA -0.186 4.164 4.350 0.000 0.000 0.193 83 E C 2.027 178.639 176.600 0.021 0.000 0.985 83 E CA 0.970 57.393 56.400 0.039 0.000 0.814 83 E CB -0.180 29.515 29.700 -0.010 0.000 0.752 83 E HN 0.410 nan 8.360 nan 0.000 0.466 84 K N 0.358 120.756 120.400 -0.003 0.000 2.217 84 K HA -0.057 4.263 4.320 0.000 0.000 0.202 84 K C 2.044 178.695 176.600 0.086 0.000 1.051 84 K CA 0.603 56.913 56.287 0.037 0.000 0.952 84 K CB 0.207 32.681 32.500 -0.043 0.000 0.736 84 K HN -0.037 nan 8.250 nan 0.000 0.453 85 V N 1.213 121.134 119.914 0.012 0.000 2.407 85 V HA -0.181 3.939 4.120 0.000 0.000 0.245 85 V C 2.161 178.233 176.094 -0.036 0.000 1.041 85 V CA 1.482 63.740 62.300 -0.070 0.000 1.040 85 V CB -0.216 31.622 31.823 0.024 0.000 0.671 85 V HN 0.190 nan 8.190 nan 0.000 0.455 86 K N 1.409 121.848 120.400 0.065 0.000 2.147 86 K HA -0.079 4.241 4.320 0.000 0.000 0.205 86 K C 1.910 178.552 176.600 0.070 0.000 1.049 86 K CA 1.631 57.965 56.287 0.078 0.000 0.936 86 K CB -0.548 31.990 32.500 0.063 0.000 0.722 86 K HN 0.399 nan 8.250 nan 0.000 0.446 87 A N 0.127 123.006 122.820 0.099 0.000 2.172 87 A HA 0.012 4.332 4.320 0.000 0.000 0.216 87 A C 1.802 179.482 177.584 0.161 0.000 1.154 87 A CA 0.858 53.031 52.037 0.226 0.000 0.701 87 A CB -0.464 18.748 19.000 0.354 0.000 0.789 87 A HN 0.328 nan 8.150 nan 0.000 0.465 88 L N -1.748 119.419 121.223 -0.093 0.000 2.492 88 L HA 0.166 4.506 4.340 0.000 0.000 0.223 88 L C 1.770 178.561 176.870 -0.132 0.000 1.132 88 L CA 0.696 55.324 54.840 -0.354 0.000 0.850 88 L CB -0.010 41.481 42.059 -0.946 0.000 0.966 88 L HN 0.561 nan 8.230 nan 0.000 0.454 89 G N -1.173 107.634 108.800 0.012 0.000 2.179 89 G HA2 -0.252 3.708 3.960 0.000 0.000 0.220 89 G HA3 -0.252 3.708 3.960 0.000 0.000 0.220 89 G C 0.173 175.191 174.900 0.196 0.000 0.990 89 G CA -0.589 44.553 45.100 0.070 0.000 0.646 89 G HN 0.044 nan 8.290 nan 0.000 0.517 90 F N 1.465 121.327 119.950 -0.146 0.000 2.440 90 F HA 0.475 5.002 4.527 0.000 0.000 0.323 90 F C 1.415 177.220 175.800 0.007 0.000 1.192 90 F CA -0.219 57.719 58.000 -0.103 0.000 1.252 90 F CB 0.877 39.796 39.000 -0.135 0.000 1.214 90 F HN 0.254 nan 8.300 nan 0.000 0.578 91 N N -0.981 117.843 118.700 0.207 0.000 2.143 91 N HA 0.189 4.929 4.740 0.000 0.000 0.229 91 N C -0.746 174.903 175.510 0.232 0.000 1.294 91 N CA -0.187 52.974 53.050 0.184 0.000 0.883 91 N CB 0.269 38.865 38.487 0.183 0.000 1.148 91 N HN 0.394 nan 8.380 nan 0.000 0.511 92 C N -0.161 119.282 119.300 0.238 0.000 3.239 92 C HA 0.821 5.281 4.460 0.000 0.000 0.317 92 C C -1.659 173.512 174.990 0.301 0.000 1.310 92 C CA -0.374 58.808 59.018 0.273 0.000 1.371 92 C CB 1.207 29.083 27.740 0.226 0.000 1.714 92 C HN 0.046 nan 8.230 nan 0.000 0.473 93 V N 2.822 122.949 119.914 0.355 0.000 2.760 93 V HA 0.711 4.831 4.120 0.000 0.000 0.309 93 V C -0.258 176.102 176.094 0.443 0.000 1.077 93 V CA -0.242 62.294 62.300 0.394 0.000 0.910 93 V CB 2.163 34.285 31.823 0.497 0.000 1.008 93 V HN 0.970 nan 8.190 nan 0.000 0.424 94 S N 4.573 120.506 115.700 0.388 0.000 2.475 94 S HA 0.879 5.349 4.470 0.000 0.000 0.298 94 S C -1.016 173.836 174.600 0.419 0.000 1.119 94 S CA -0.445 57.968 58.200 0.354 0.000 1.085 94 S CB 0.804 64.149 63.200 0.242 0.000 1.028 94 S HN 0.780 nan 8.310 nan 0.000 0.489 95 F N 2.705 122.797 119.950 0.236 0.000 2.601 95 F HA 0.750 5.277 4.527 0.000 0.000 0.309 95 F C -1.873 174.028 175.800 0.169 0.000 1.089 95 F CA -1.332 56.821 58.000 0.255 0.000 0.940 95 F CB 0.460 39.705 39.000 0.409 0.000 1.273 95 F HN 0.397 nan 8.300 nan 0.000 0.450 96 Y N 1.408 121.811 120.300 0.172 0.000 2.488 96 Y HA 0.735 5.285 4.550 0.000 0.000 0.325 96 Y C -0.313 175.757 175.900 0.283 0.000 1.204 96 Y CA -1.677 56.433 58.100 0.017 0.000 1.229 96 Y CB 1.917 40.285 38.460 -0.154 0.000 1.274 96 Y HN 0.579 nan 8.280 nan 0.000 0.493 97 V N 1.834 121.993 119.914 0.409 0.000 2.588 97 V HA 0.214 4.334 4.120 0.000 0.000 0.304 97 V C -0.978 175.207 176.094 0.152 0.000 1.042 97 V CA -1.030 61.517 62.300 0.413 0.000 0.877 97 V CB 1.796 33.893 31.823 0.457 0.000 0.996 97 V HN 0.624 nan 8.190 nan 0.000 0.425 98 D N 3.564 123.900 120.400 -0.107 0.000 2.428 98 D HA 0.090 4.730 4.640 0.000 0.000 0.221 98 D C 0.542 176.718 176.300 -0.207 0.000 1.123 98 D CA -0.440 53.306 54.000 -0.423 0.000 0.869 98 D CB 0.828 41.004 40.800 -1.040 0.000 1.032 98 D HN 0.585 nan 8.370 nan 0.000 0.506 99 W N 5.107 126.101 121.300 -0.510 0.000 2.321 99 W HA -0.210 4.450 4.660 0.000 0.000 0.306 99 W C 1.538 177.793 176.519 -0.441 0.000 1.217 99 W CA 1.801 58.713 57.345 -0.722 0.000 1.257 99 W CB -0.778 28.016 29.460 -1.110 0.000 1.145 99 W HN 0.496 nan 8.180 nan 0.000 0.509 100 A N 0.113 122.704 122.820 -0.381 0.000 2.024 100 A HA -0.165 4.155 4.320 0.000 0.000 0.220 100 A C 2.206 179.589 177.584 -0.336 0.000 1.164 100 A CA 1.848 53.614 52.037 -0.451 0.000 0.643 100 A CB -0.880 17.854 19.000 -0.444 0.000 0.806 100 A HN 0.393 nan 8.150 nan 0.000 0.451 101 L N -1.330 119.701 121.223 -0.320 0.000 2.416 101 L HA 0.107 4.447 4.340 0.000 0.000 0.216 101 L C 1.892 178.488 176.870 -0.457 0.000 1.098 101 L CA 0.262 54.860 54.840 -0.404 0.000 0.840 101 L CB -0.075 41.785 42.059 -0.331 0.000 0.981 101 L HN 0.336 nan 8.230 nan 0.000 0.462 102 L N -1.091 119.997 121.223 -0.224 0.000 2.513 102 L HA 0.111 4.451 4.340 0.000 0.000 0.222 102 L C 1.075 177.899 176.870 -0.076 0.000 1.096 102 L CA 0.407 55.108 54.840 -0.233 0.000 0.857 102 L CB 0.278 42.228 42.059 -0.182 0.000 1.026 102 L HN 0.173 nan 8.230 nan 0.000 0.469 103 E N 0.242 120.546 120.200 0.173 0.000 4.170 103 E HA 0.154 4.504 4.350 0.000 0.000 0.215 103 E C 1.176 178.025 176.600 0.416 0.000 1.119 103 E CA -0.143 56.485 56.400 0.381 0.000 1.396 103 E CB 0.711 30.878 29.700 0.779 0.000 1.182 103 E HN 0.218 nan 8.360 nan 0.000 0.438 104 G N 1.469 110.409 108.800 0.233 0.000 2.432 104 G HA2 -0.229 3.731 3.960 0.000 0.000 0.219 104 G HA3 -0.229 3.731 3.960 0.000 0.000 0.219 104 G C 0.881 176.038 174.900 0.428 0.000 1.135 104 G CA 0.295 45.532 45.100 0.228 0.000 0.767 104 G HN 0.268 nan 8.290 nan 0.000 0.550 105 N N 1.007 119.953 118.700 0.410 0.000 2.469 105 N HA 0.306 5.046 4.740 0.000 0.000 0.253 105 N C -2.705 172.816 175.510 0.018 0.000 0.970 105 N CA -2.446 50.730 53.050 0.210 0.000 0.940 105 N CB 1.785 40.401 38.487 0.214 0.000 1.128 105 N HN -0.052 nan 8.380 nan 0.000 0.503 106 P HA 0.089 nan 4.420 nan 0.000 0.261 106 P C 0.648 177.784 177.300 -0.273 0.000 1.183 106 P CA 0.714 63.334 63.100 -0.801 0.000 0.761 106 P CB 0.460 31.224 31.700 -1.560 0.000 0.785 107 G N 1.834 110.594 108.800 -0.067 0.000 2.213 107 G HA2 -0.202 3.758 3.960 0.000 0.000 0.226 107 G HA3 -0.202 3.758 3.960 0.000 0.000 0.226 107 G C 0.089 175.106 174.900 0.195 0.000 0.992 107 G CA -0.083 45.048 45.100 0.052 0.000 0.632 107 G HN 0.832 nan 8.290 nan 0.000 0.511 108 H N -0.613 118.526 119.070 0.116 0.000 2.866 108 H HA 0.475 5.031 4.556 0.000 0.000 0.287 108 H C -0.934 174.544 175.328 0.251 0.000 1.106 108 H CA -0.816 55.325 56.048 0.157 0.000 1.396 108 H CB 0.481 30.296 29.762 0.089 0.000 1.469 108 H HN 0.224 nan 8.280 nan 0.000 0.500 109 Y N 3.997 124.238 120.300 -0.097 0.000 2.377 109 Y HA 0.211 4.761 4.550 0.000 0.000 0.330 109 Y C -0.557 175.168 175.900 -0.291 0.000 1.108 109 Y CA 0.296 58.363 58.100 -0.054 0.000 1.308 109 Y CB 0.931 39.430 38.460 0.065 0.000 1.216 109 Y HN 0.447 nan 8.280 nan 0.000 0.518 110 S N 4.895 120.237 115.700 -0.598 0.000 2.736 110 S HA 0.752 5.222 4.470 0.000 0.000 0.285 110 S C -1.199 173.192 174.600 -0.348 0.000 1.163 110 S CA -0.199 57.774 58.200 -0.378 0.000 1.025 110 S CB 0.279 63.341 63.200 -0.231 0.000 1.030 110 S HN 0.984 nan 8.310 nan 0.000 0.486 111 A N 4.567 127.301 122.820 -0.143 0.000 3.258 111 A HA 0.654 4.974 4.320 0.000 0.000 0.318 111 A C -0.350 177.354 177.584 0.200 0.000 0.990 111 A CA -0.513 51.554 52.037 0.051 0.000 0.885 111 A CB 0.378 19.421 19.000 0.071 0.000 1.090 111 A HN 0.642 nan 8.150 nan 0.000 0.479 112 E N -0.237 120.113 120.200 0.251 0.000 2.339 112 E HA 0.693 5.043 4.350 0.000 0.000 0.262 112 E C 0.995 177.750 176.600 0.258 0.000 0.934 112 E CA 0.122 56.660 56.400 0.230 0.000 0.802 112 E CB 1.534 31.354 29.700 0.200 0.000 1.275 112 E HN 0.994 nan 8.360 nan 0.000 0.427 113 G N 1.487 110.393 108.800 0.177 0.000 2.622 113 G HA2 -0.377 3.583 3.960 0.000 0.000 0.307 113 G HA3 -0.377 3.583 3.960 0.000 0.000 0.307 113 G C 1.066 176.008 174.900 0.070 0.000 1.226 113 G CA 0.757 45.935 45.100 0.129 0.000 0.997 113 G HN 0.728 nan 8.290 nan 0.000 0.551 114 I N -1.961 118.584 120.570 -0.042 0.000 2.916 114 I HA 0.236 4.406 4.170 0.000 0.000 0.267 114 I C 2.034 177.983 176.117 -0.279 0.000 1.263 114 I CA 1.778 62.946 61.300 -0.219 0.000 1.471 114 I CB -0.325 37.444 38.000 -0.385 0.000 1.089 114 I HN 0.199 nan 8.210 nan 0.000 0.468 115 F N 0.884 120.955 119.950 0.202 0.000 2.695 115 F HA 0.292 4.819 4.527 0.000 0.000 0.303 115 F C 0.834 176.714 175.800 0.132 0.000 1.091 115 F CA -0.652 57.461 58.000 0.188 0.000 1.300 115 F CB -0.372 38.727 39.000 0.165 0.000 1.071 115 F HN 0.021 nan 8.300 nan 0.000 0.578 116 D N 1.117 121.652 120.400 0.226 0.000 2.417 116 D HA 0.063 4.703 4.640 0.000 0.000 0.250 116 D C 1.038 177.380 176.300 0.068 0.000 1.166 116 D CA 0.420 54.513 54.000 0.154 0.000 0.881 116 D CB 1.029 41.907 40.800 0.131 0.000 1.164 116 D HN 0.187 nan 8.370 nan 0.000 0.467 117 L N 2.989 124.181 121.223 -0.052 0.000 2.446 117 L HA -0.055 4.285 4.340 0.000 0.000 0.219 117 L C 2.104 178.593 176.870 -0.636 0.000 1.116 117 L CA 0.084 54.687 54.840 -0.395 0.000 0.844 117 L CB -0.121 41.607 42.059 -0.552 0.000 0.970 117 L HN 0.411 nan 8.230 nan 0.000 0.457 118 Q N 1.236 120.884 119.800 -0.254 0.000 2.077 118 Q HA -0.176 4.164 4.340 0.000 0.000 0.206 118 Q C -0.646 175.360 176.000 0.011 0.000 0.989 118 Q CA 2.187 57.950 55.803 -0.066 0.000 0.853 118 Q CB -1.155 27.631 28.738 0.080 0.000 0.907 118 Q HN 0.224 nan 8.270 nan 0.000 0.418 119 P HA -0.102 nan 4.420 nan 0.000 0.220 119 P C 0.691 178.137 177.300 0.243 0.000 1.148 119 P CA 0.880 64.090 63.100 0.184 0.000 0.803 119 P CB -0.163 31.690 31.700 0.255 0.000 0.782 120 F N -0.782 119.096 119.950 -0.119 0.000 2.163 120 F HA -0.107 4.420 4.527 0.000 0.000 0.297 120 F C 1.857 177.619 175.800 -0.063 0.000 1.094 120 F CA 1.329 59.140 58.000 -0.315 0.000 1.290 120 F CB -0.626 37.944 39.000 -0.716 0.000 1.017 120 F HN -0.228 nan 8.300 nan 0.000 0.483 121 F N 0.918 120.839 119.950 -0.048 0.000 2.146 121 F HA -0.149 4.378 4.527 0.000 0.000 0.298 121 F C 2.358 178.043 175.800 -0.192 0.000 1.096 121 F CA 1.116 59.026 58.000 -0.150 0.000 1.275 121 F CB -1.477 37.520 39.000 -0.005 0.000 1.008 121 F HN -0.003 nan 8.300 nan 0.000 0.480 122 D N 0.101 120.555 120.400 0.091 0.000 2.144 122 D HA -0.103 4.537 4.640 0.000 0.000 0.200 122 D C 2.376 178.613 176.300 -0.104 0.000 0.978 122 D CA 1.410 55.415 54.000 0.008 0.000 0.833 122 D CB -0.557 40.271 40.800 0.046 0.000 0.961 122 D HN 0.208 nan 8.370 nan 0.000 0.470 123 A N 1.022 123.771 122.820 -0.118 0.000 1.930 123 A HA -0.003 4.317 4.320 0.000 0.000 0.217 123 A C 2.309 179.533 177.584 -0.601 0.000 1.175 123 A CA 2.014 53.956 52.037 -0.158 0.000 0.627 123 A CB -0.653 18.452 19.000 0.174 0.000 0.815 123 A HN 0.225 nan 8.150 nan 0.000 0.443 124 A N -0.026 122.105 122.820 -1.149 0.000 1.877 124 A HA -0.194 4.126 4.320 0.000 0.000 0.216 124 A C 2.150 179.369 177.584 -0.608 0.000 1.186 124 A CA 2.069 53.234 52.037 -1.454 0.000 0.620 124 A CB -0.494 17.794 19.000 -1.188 0.000 0.822 124 A HN 0.555 nan 8.150 nan 0.000 0.443 125 K N -0.556 119.624 120.400 -0.366 0.000 2.057 125 K HA -0.229 4.091 4.320 0.000 0.000 0.207 125 K C 2.048 178.425 176.600 -0.373 0.000 1.049 125 K CA 1.799 57.923 56.287 -0.271 0.000 0.931 125 K CB -0.144 32.288 32.500 -0.113 0.000 0.714 125 K HN 0.384 nan 8.250 nan 0.000 0.440 126 E N 0.453 120.485 120.200 -0.280 0.000 2.077 126 E HA -0.122 4.228 4.350 0.000 0.000 0.193 126 E C 1.475 177.932 176.600 -0.238 0.000 0.989 126 E CA 1.641 57.906 56.400 -0.226 0.000 0.800 126 E CB -0.203 29.409 29.700 -0.147 0.000 0.746 126 E HN 0.405 nan 8.360 nan 0.000 0.452 127 A N -0.650 122.022 122.820 -0.247 0.000 2.206 127 A HA 0.310 4.630 4.320 0.000 0.000 0.211 127 A C 1.577 179.030 177.584 -0.218 0.000 1.158 127 A CA 0.897 52.831 52.037 -0.172 0.000 0.761 127 A CB -0.630 18.329 19.000 -0.067 0.000 0.801 127 A HN 0.505 nan 8.150 nan 0.000 0.473 128 G N -0.661 107.908 108.800 -0.385 0.000 2.248 128 G HA2 -0.155 3.805 3.960 0.000 0.000 0.263 128 G HA3 -0.155 3.805 3.960 0.000 0.000 0.263 128 G C -0.269 174.500 174.900 -0.219 0.000 1.082 128 G CA 0.213 45.014 45.100 -0.499 0.000 0.863 128 G HN 0.319 nan 8.290 nan 0.000 0.495 129 I N 0.214 120.689 120.570 -0.158 0.000 2.436 129 I HA 0.442 4.612 4.170 0.000 0.000 0.289 129 I C 0.382 176.520 176.117 0.036 0.000 1.010 129 I CA -1.603 59.684 61.300 -0.022 0.000 1.098 129 I CB 1.181 39.195 38.000 0.023 0.000 1.266 129 I HN 0.046 nan 8.210 nan 0.000 0.434 130 Y N 5.745 126.151 120.300 0.177 0.000 2.281 130 Y HA 0.483 5.034 4.550 0.000 0.000 0.337 130 Y C 0.393 176.367 175.900 0.124 0.000 1.304 130 Y CA -0.287 57.847 58.100 0.057 0.000 1.465 130 Y CB 0.736 39.185 38.460 -0.018 0.000 1.350 130 Y HN 0.302 nan 8.280 nan 0.000 0.575 131 L N 2.141 123.559 121.223 0.325 0.000 2.401 131 L HA 0.434 4.775 4.340 0.000 0.000 0.266 131 L C -1.490 175.579 176.870 0.331 0.000 0.991 131 L CA -1.154 53.907 54.840 0.369 0.000 0.818 131 L CB 2.104 44.408 42.059 0.407 0.000 1.321 131 L HN 0.351 nan 8.230 nan 0.000 0.413 132 L N 2.808 124.243 121.223 0.354 0.000 2.298 132 L HA 0.773 5.113 4.340 0.000 0.000 0.284 132 L C -0.175 176.698 176.870 0.004 0.000 1.013 132 L CA -0.266 54.683 54.840 0.182 0.000 0.824 132 L CB 1.205 43.393 42.059 0.214 0.000 1.221 132 L HN 0.630 nan 8.230 nan 0.000 0.418 133 A N 5.974 128.696 122.820 -0.164 0.000 2.301 133 A HA 0.748 5.068 4.320 0.000 0.000 0.298 133 A C -0.065 177.130 177.584 -0.648 0.000 1.185 133 A CA -0.573 51.060 52.037 -0.674 0.000 0.830 133 A CB 0.250 19.075 19.000 -0.293 0.000 1.112 133 A HN 0.764 nan 8.150 nan 0.000 0.508 134 R N 3.960 124.056 120.500 -0.672 0.000 2.585 134 R HA 0.227 4.567 4.340 0.000 0.000 0.278 134 R C -2.505 173.734 176.300 -0.102 0.000 1.663 134 R CA -1.362 54.565 56.100 -0.289 0.000 1.592 134 R CB 1.553 31.801 30.300 -0.087 0.000 1.200 134 R HN 0.567 nan 8.270 nan 0.000 0.611 135 P HA -0.008 nan 4.420 nan 0.000 0.245 135 P C 0.841 178.242 177.300 0.169 0.000 1.212 135 P CA 1.051 64.181 63.100 0.050 0.000 0.774 135 P CB 0.727 32.418 31.700 -0.015 0.000 0.999 136 G N 0.890 109.744 108.800 0.090 0.000 2.650 136 G HA2 -0.246 3.715 3.960 0.000 0.000 0.264 136 G HA3 -0.246 3.715 3.960 0.000 0.000 0.264 136 G C -1.738 173.265 174.900 0.171 0.000 1.263 136 G CA 0.238 45.403 45.100 0.109 0.000 0.960 136 G HN 0.064 nan 8.290 nan 0.000 0.548 137 P HA 0.002 nan 4.420 nan 0.000 0.217 137 P C 0.594 178.043 177.300 0.248 0.000 1.148 137 P CA 1.487 64.775 63.100 0.313 0.000 0.828 137 P CB -0.031 31.832 31.700 0.271 0.000 0.783 138 Y N 0.714 121.057 120.300 0.072 0.000 2.327 138 Y HA 0.263 4.813 4.550 0.000 0.000 0.336 138 Y C 1.330 177.083 175.900 -0.246 0.000 1.035 138 Y CA -0.563 57.370 58.100 -0.279 0.000 1.165 138 Y CB 0.271 38.580 38.460 -0.251 0.000 1.181 138 Y HN -0.141 nan 8.280 nan 0.000 0.494 139 I N 1.027 120.941 120.570 -1.093 0.000 4.456 139 I HA 0.252 4.422 4.170 0.000 0.000 0.329 139 I C 1.034 176.464 176.117 -1.146 0.000 1.313 139 I CA 0.173 60.813 61.300 -1.100 0.000 1.205 139 I CB 0.186 37.372 38.000 -1.357 0.000 1.179 139 I HN 0.712 nan 8.210 nan 0.000 0.419 140 N N 2.812 120.662 118.700 -1.416 0.000 3.084 140 N HA -0.430 4.310 4.740 0.000 0.000 0.197 140 N C 1.125 176.278 175.510 -0.595 0.000 0.452 140 N CA 3.469 56.049 53.050 -0.784 0.000 1.891 140 N CB -1.424 36.925 38.487 -0.229 0.000 1.456 140 N HN 1.015 nan 8.380 nan 0.000 0.380 141 A N -0.228 122.378 122.820 -0.357 0.000 2.799 141 A HA -0.256 4.064 4.320 0.000 0.000 0.274 141 A C 0.578 178.028 177.584 -0.223 0.000 1.393 141 A CA 2.922 54.917 52.037 -0.071 0.000 0.909 141 A CB -2.265 16.648 19.000 -0.145 0.000 1.012 141 A HN 1.207 nan 8.150 nan 0.000 0.653 142 E N -3.700 116.176 120.200 -0.540 0.000 2.586 142 E HA -0.191 4.159 4.350 0.000 0.000 0.259 142 E C 0.169 176.274 176.600 -0.824 0.000 1.107 142 E CA 1.347 57.113 56.400 -1.057 0.000 0.754 142 E CB -2.509 26.872 29.700 -0.531 0.000 1.335 142 E HN 2.119 nan 8.360 nan 0.000 0.411 143 V N -3.737 115.830 119.914 -0.577 0.000 2.975 143 V HA 0.687 4.807 4.120 0.000 0.000 0.318 143 V C 0.728 176.651 176.094 -0.286 0.000 1.077 143 V CA -0.538 61.532 62.300 -0.383 0.000 1.000 143 V CB 2.217 33.801 31.823 -0.398 0.000 1.066 143 V HN 0.119 nan 8.190 nan 0.000 0.452 144 S N 1.706 117.287 115.700 -0.197 0.000 2.563 144 S HA 0.374 4.844 4.470 0.000 0.000 0.294 144 S C 1.520 176.006 174.600 -0.190 0.000 1.279 144 S CA 1.006 59.127 58.200 -0.131 0.000 1.069 144 S CB -0.504 62.616 63.200 -0.134 0.000 0.828 144 S HN 2.782 nan 8.310 nan 0.000 0.497 145 G N 3.398 112.132 108.800 -0.111 0.000 2.196 145 G HA2 -0.203 3.757 3.960 0.000 0.000 0.268 145 G HA3 -0.203 3.757 3.960 0.000 0.000 0.268 145 G C 1.244 176.066 174.900 -0.131 0.000 0.975 145 G CA 0.697 45.746 45.100 -0.085 0.000 0.648 145 G HN 2.259 nan 8.290 nan 0.000 0.538 146 G N -1.317 107.325 108.800 -0.263 0.000 2.168 146 G HA2 0.248 4.208 3.960 0.000 0.000 0.257 146 G HA3 0.248 4.208 3.960 0.000 0.000 0.257 146 G C 1.697 176.082 174.900 -0.858 0.000 0.997 146 G CA 0.971 45.746 45.100 -0.541 0.000 0.708 146 G HN 2.637 nan 8.290 nan 0.000 0.520 147 G N -2.033 106.413 108.800 -0.590 0.000 2.278 147 G HA2 -0.084 3.876 3.960 0.000 0.000 0.210 147 G HA3 -0.084 3.876 3.960 0.000 0.000 0.210 147 G C 0.306 174.950 174.900 -0.427 0.000 1.000 147 G CA 0.177 44.948 45.100 -0.548 0.000 0.635 147 G HN 1.028 nan 8.290 nan 0.000 0.495 148 F N 3.104 122.830 119.950 -0.374 0.000 2.504 148 F HA 0.477 5.004 4.527 0.000 0.000 0.369 148 F C -1.516 173.744 175.800 -0.899 0.000 1.082 148 F CA -2.392 55.197 58.000 -0.686 0.000 1.216 148 F CB 0.417 39.160 39.000 -0.429 0.000 1.108 148 F HN -0.100 nan 8.300 nan 0.000 0.554 149 P HA 0.101 nan 4.420 nan 0.000 0.272 149 P C 0.914 177.585 177.300 -1.048 0.000 1.223 149 P CA 0.158 62.580 63.100 -1.130 0.000 0.784 149 P CB 0.763 31.508 31.700 -1.593 0.000 0.923 150 G N 1.628 109.883 108.800 -0.907 0.000 2.462 150 G HA2 -0.211 3.750 3.960 0.000 0.000 0.220 150 G HA3 -0.211 3.750 3.960 0.000 0.000 0.220 150 G C 0.991 175.347 174.900 -0.906 0.000 1.121 150 G CA 0.099 44.605 45.100 -0.990 0.000 0.758 150 G HN 0.711 nan 8.290 nan 0.000 0.559 151 W N -0.058 120.770 121.300 -0.787 0.000 2.721 151 W HA 0.180 4.840 4.660 0.000 0.000 0.245 151 W C 1.036 177.428 176.519 -0.212 0.000 1.276 151 W CA -0.266 56.906 57.345 -0.289 0.000 1.342 151 W CB -0.775 28.614 29.460 -0.118 0.000 1.135 151 W HN 0.020 nan 8.180 nan 0.000 0.654 152 L N 1.534 122.448 121.223 -0.515 0.000 2.362 152 L HA -0.127 4.213 4.340 0.000 0.000 0.219 152 L C 2.460 179.214 176.870 -0.193 0.000 1.134 152 L CA 1.520 56.103 54.840 -0.429 0.000 0.807 152 L CB -1.000 40.614 42.059 -0.740 0.000 0.927 152 L HN 0.201 nan 8.230 nan 0.000 0.447 153 Q N -0.611 119.112 119.800 -0.130 0.000 2.436 153 Q HA -0.102 4.238 4.340 0.000 0.000 0.209 153 Q C 1.436 177.469 176.000 0.056 0.000 0.965 153 Q CA 0.592 56.377 55.803 -0.029 0.000 0.910 153 Q CB 0.148 28.890 28.738 0.007 0.000 0.980 153 Q HN 0.498 nan 8.270 nan 0.000 0.491 154 R N -0.047 120.509 120.500 0.093 0.000 2.362 154 R HA 0.169 4.509 4.340 0.000 0.000 0.227 154 R C -0.147 176.220 176.300 0.113 0.000 0.905 154 R CA -0.063 56.115 56.100 0.130 0.000 1.067 154 R CB 0.878 31.278 30.300 0.168 0.000 1.078 154 R HN -0.057 nan 8.270 nan 0.000 0.516 155 V N 2.321 122.285 119.914 0.083 0.000 2.432 155 V HA -0.004 4.116 4.120 0.000 0.000 0.271 155 V C 0.201 176.322 176.094 0.045 0.000 1.046 155 V CA -0.290 62.057 62.300 0.077 0.000 0.945 155 V CB 1.288 33.154 31.823 0.072 0.000 0.992 155 V HN 0.026 nan 8.190 nan 0.000 0.471 156 D N 4.475 124.904 120.400 0.048 0.000 2.688 156 D HA 0.439 5.079 4.640 0.000 0.000 0.228 156 D C 0.303 176.613 176.300 0.017 0.000 1.116 156 D CA 0.519 54.537 54.000 0.030 0.000 1.023 156 D CB -0.184 40.634 40.800 0.031 0.000 1.100 156 D HN 0.766 nan 8.370 nan 0.000 0.487 157 G N 1.136 109.935 108.800 -0.001 0.000 2.655 157 G HA2 0.303 4.263 3.960 0.000 0.000 0.296 157 G HA3 0.303 4.263 3.960 0.000 0.000 0.296 157 G C -0.727 174.116 174.900 -0.095 0.000 1.485 157 G CA -0.858 44.230 45.100 -0.020 0.000 0.869 157 G HN 0.227 nan 8.290 nan 0.000 0.540 158 I N 1.659 122.126 120.570 -0.171 0.000 2.556 158 I HA 0.102 4.272 4.170 0.000 0.000 0.284 158 I C 0.670 176.486 176.117 -0.501 0.000 1.114 158 I CA -0.212 60.903 61.300 -0.308 0.000 1.418 158 I CB 0.677 38.457 38.000 -0.366 0.000 1.394 158 I HN 0.212 nan 8.210 nan 0.000 0.552 159 L N 7.381 128.262 121.223 -0.569 0.000 2.485 159 L HA 0.160 4.500 4.340 0.000 0.000 0.275 159 L C 0.961 177.197 176.870 -1.058 0.000 1.207 159 L CA -0.217 54.052 54.840 -0.952 0.000 0.855 159 L CB -0.083 41.608 42.059 -0.612 0.000 1.114 159 L HN 0.656 nan 8.230 nan 0.000 0.485 160 R N -0.634 118.920 120.500 -1.577 0.000 3.531 160 R HA -0.159 4.181 4.340 0.000 0.000 0.280 160 R C -0.138 175.495 176.300 -1.111 0.000 1.130 160 R CA 0.817 56.411 56.100 -0.843 0.000 0.757 160 R CB -2.264 27.802 30.300 -0.389 0.000 1.218 160 R HN 0.924 nan 8.270 nan 0.000 0.454 161 T N -6.009 107.930 114.554 -1.025 0.000 2.804 161 T HA 0.436 4.786 4.350 0.000 0.000 0.290 161 T C 0.692 175.206 174.700 -0.311 0.000 1.099 161 T CA -0.550 61.075 62.100 -0.793 0.000 1.011 161 T CB 2.041 70.481 68.868 -0.714 0.000 1.291 161 T HN -0.087 nan 8.240 nan 0.000 0.523 162 S N 0.398 116.036 115.700 -0.103 0.000 2.650 162 S HA 0.138 4.608 4.470 0.000 0.000 0.219 162 S C -0.050 174.553 174.600 0.006 0.000 0.960 162 S CA -0.170 58.048 58.200 0.030 0.000 0.925 162 S CB -0.642 62.602 63.200 0.074 0.000 0.775 162 S HN 0.633 nan 8.310 nan 0.000 0.525 163 D N 2.154 122.548 120.400 -0.011 0.000 2.531 163 D HA 0.012 4.652 4.640 0.000 0.000 0.239 163 D C 1.134 177.452 176.300 0.029 0.000 1.144 163 D CA 0.163 54.167 54.000 0.007 0.000 0.869 163 D CB 0.575 41.363 40.800 -0.020 0.000 1.160 163 D HN 0.150 nan 8.370 nan 0.000 0.484 164 E N 2.975 123.185 120.200 0.017 0.000 2.086 164 E HA -0.272 4.078 4.350 0.000 0.000 0.200 164 E C 1.765 178.377 176.600 0.019 0.000 1.012 164 E CA 2.010 58.417 56.400 0.011 0.000 0.812 164 E CB -0.098 29.616 29.700 0.023 0.000 0.743 164 E HN 0.533 nan 8.360 nan 0.000 0.453 165 A N -0.639 122.203 122.820 0.038 0.000 1.933 165 A HA -0.191 4.130 4.320 0.000 0.000 0.218 165 A C 2.211 179.828 177.584 0.055 0.000 1.175 165 A CA 1.666 53.733 52.037 0.049 0.000 0.628 165 A CB -0.960 18.072 19.000 0.053 0.000 0.814 165 A HN 0.563 nan 8.150 nan 0.000 0.444 166 Y N 0.458 120.736 120.300 -0.036 0.000 2.133 166 Y HA -0.103 4.447 4.550 0.000 0.000 0.287 166 Y C 1.949 177.847 175.900 -0.003 0.000 1.134 166 Y CA 1.658 59.730 58.100 -0.047 0.000 1.133 166 Y CB -0.398 37.993 38.460 -0.116 0.000 0.987 166 Y HN 0.197 nan 8.280 nan 0.000 0.502 167 L N 0.250 121.344 121.223 -0.214 0.000 2.012 167 L HA -0.281 4.059 4.340 0.000 0.000 0.210 167 L C 2.433 179.183 176.870 -0.200 0.000 1.073 167 L CA 1.960 56.590 54.840 -0.351 0.000 0.748 167 L CB -0.603 41.166 42.059 -0.484 0.000 0.891 167 L HN 0.189 nan 8.230 nan 0.000 0.431 168 K N -0.026 120.331 120.400 -0.071 0.000 2.097 168 K HA -0.129 4.191 4.320 0.000 0.000 0.206 168 K C 2.173 178.808 176.600 0.058 0.000 1.049 168 K CA 1.270 57.574 56.287 0.028 0.000 0.933 168 K CB -0.246 32.285 32.500 0.052 0.000 0.717 168 K HN 0.289 nan 8.250 nan 0.000 0.442 169 A N 1.220 124.070 122.820 0.049 0.000 2.019 169 A HA -0.142 4.178 4.320 0.000 0.000 0.219 169 A C 2.160 179.938 177.584 0.323 0.000 1.164 169 A CA 2.035 54.222 52.037 0.250 0.000 0.644 169 A CB -0.754 18.395 19.000 0.249 0.000 0.805 169 A HN 0.482 nan 8.150 nan 0.000 0.449 170 T N -3.701 110.851 114.554 -0.003 0.000 3.057 170 T HA -0.007 4.343 4.350 0.000 0.000 0.254 170 T C 1.121 175.755 174.700 -0.109 0.000 1.094 170 T CA 0.860 62.853 62.100 -0.178 0.000 1.088 170 T CB -0.200 68.479 68.868 -0.314 0.000 0.934 170 T HN 0.276 nan 8.240 nan 0.000 0.497 171 D N 2.085 122.486 120.400 0.001 0.000 2.116 171 D HA -0.139 4.501 4.640 0.000 0.000 0.193 171 D C 2.037 178.354 176.300 0.028 0.000 0.998 171 D CA 1.303 55.323 54.000 0.033 0.000 0.836 171 D CB -0.519 40.339 40.800 0.096 0.000 0.951 171 D HN 0.420 nan 8.370 nan 0.000 0.449 172 N N -0.419 118.333 118.700 0.087 0.000 2.084 172 N HA -0.211 4.529 4.740 0.000 0.000 0.190 172 N C 1.804 177.334 175.510 0.033 0.000 1.030 172 N CA 1.052 54.157 53.050 0.091 0.000 0.849 172 N CB -0.427 38.174 38.487 0.191 0.000 1.012 172 N HN 0.205 nan 8.380 nan 0.000 0.423 173 Y N 0.774 121.026 120.300 -0.080 0.000 2.114 173 Y HA -0.060 4.490 4.550 0.000 0.000 0.284 173 Y C 2.231 177.983 175.900 -0.247 0.000 1.143 173 Y CA 2.010 59.992 58.100 -0.198 0.000 1.135 173 Y CB -0.959 37.001 38.460 -0.833 0.000 0.980 173 Y HN 0.141 nan 8.280 nan 0.000 0.499 174 A N -0.005 122.567 122.820 -0.413 0.000 1.908 174 A HA -0.245 4.075 4.320 0.000 0.000 0.218 174 A C 2.493 179.914 177.584 -0.272 0.000 1.181 174 A CA 2.705 54.522 52.037 -0.367 0.000 0.627 174 A CB -1.463 17.446 19.000 -0.153 0.000 0.818 174 A HN 0.657 nan 8.150 nan 0.000 0.445 175 S N -0.122 115.461 115.700 -0.195 0.000 2.387 175 S HA -0.145 4.325 4.470 0.000 0.000 0.226 175 S C 1.797 176.250 174.600 -0.244 0.000 1.026 175 S CA 1.169 59.276 58.200 -0.154 0.000 0.972 175 S CB -0.648 62.498 63.200 -0.090 0.000 0.814 175 S HN 0.617 nan 8.310 nan 0.000 0.477 176 N N 1.239 119.692 118.700 -0.412 0.000 2.106 176 N HA 0.005 4.745 4.740 0.000 0.000 0.188 176 N C 1.715 176.890 175.510 -0.559 0.000 1.029 176 N CA 1.431 54.095 53.050 -0.644 0.000 0.848 176 N CB -0.378 37.293 38.487 -1.360 0.000 1.007 176 N HN 0.394 nan 8.380 nan 0.000 0.423 177 I N 1.647 121.879 120.570 -0.564 0.000 2.315 177 I HA -0.101 4.069 4.170 0.000 0.000 0.248 177 I C 2.114 178.209 176.117 -0.037 0.000 1.117 177 I CA 0.707 61.870 61.300 -0.230 0.000 1.404 177 I CB -0.492 37.270 38.000 -0.396 0.000 1.071 177 I HN 0.028 nan 8.210 nan 0.000 0.419 178 A N 0.401 123.179 122.820 -0.069 0.000 1.933 178 A HA -0.060 4.260 4.320 0.000 0.000 0.218 178 A C 2.496 180.100 177.584 0.034 0.000 1.175 178 A CA 1.681 53.758 52.037 0.068 0.000 0.628 178 A CB -1.224 17.782 19.000 0.010 0.000 0.814 178 A HN 0.505 nan 8.150 nan 0.000 0.444 179 A N -1.068 121.733 122.820 -0.032 0.000 1.902 179 A HA -0.076 4.244 4.320 0.000 0.000 0.217 179 A C 2.298 179.911 177.584 0.048 0.000 1.181 179 A CA 2.255 54.282 52.037 -0.017 0.000 0.623 179 A CB -1.184 17.784 19.000 -0.053 0.000 0.818 179 A HN 0.414 nan 8.150 nan 0.000 0.443 180 T N 0.244 114.852 114.554 0.091 0.000 2.777 180 T HA -0.064 4.286 4.350 0.000 0.000 0.266 180 T C 1.780 176.646 174.700 0.277 0.000 1.040 180 T CA 1.506 63.735 62.100 0.214 0.000 1.141 180 T CB -0.372 68.671 68.868 0.291 0.000 0.868 180 T HN 0.427 nan 8.240 nan 0.000 0.444 181 I N 1.274 122.000 120.570 0.261 0.000 2.315 181 I HA -0.140 4.030 4.170 0.000 0.000 0.248 181 I C 2.889 179.049 176.117 0.073 0.000 1.117 181 I CA 0.884 62.308 61.300 0.207 0.000 1.404 181 I CB -0.460 37.734 38.000 0.324 0.000 1.071 181 I HN 0.178 nan 8.210 nan 0.000 0.419 182 A N 1.073 123.931 122.820 0.064 0.000 1.908 182 A HA -0.247 4.073 4.320 0.000 0.000 0.218 182 A C 2.280 179.851 177.584 -0.022 0.000 1.181 182 A CA 1.746 53.779 52.037 -0.006 0.000 0.627 182 A CB -0.477 18.507 19.000 -0.026 0.000 0.818 182 A HN 0.359 nan 8.150 nan 0.000 0.445 183 K N -0.553 119.855 120.400 0.013 0.000 2.211 183 K HA 0.032 4.352 4.320 0.000 0.000 0.203 183 K C 1.655 178.245 176.600 -0.017 0.000 1.050 183 K CA 0.950 57.245 56.287 0.014 0.000 0.945 183 K CB -0.184 32.357 32.500 0.068 0.000 0.732 183 K HN 0.434 nan 8.250 nan 0.000 0.451 184 A N 1.176 123.952 122.820 -0.073 0.000 2.345 184 A HA 0.049 4.369 4.320 0.000 0.000 0.225 184 A C 0.247 177.722 177.584 -0.181 0.000 1.243 184 A CA -0.161 51.767 52.037 -0.183 0.000 0.875 184 A CB -0.004 18.653 19.000 -0.572 0.000 0.929 184 A HN 0.218 nan 8.150 nan 0.000 0.502 185 Q N -0.785 118.935 119.800 -0.133 0.000 2.421 185 Q HA 0.238 4.578 4.340 0.000 0.000 0.255 185 Q C 1.007 176.905 176.000 -0.171 0.000 1.013 185 Q CA -0.157 55.564 55.803 -0.136 0.000 0.895 185 Q CB 0.992 29.650 28.738 -0.134 0.000 1.271 185 Q HN 0.535 nan 8.270 nan 0.000 0.460 186 I N 1.268 121.721 120.570 -0.196 0.000 2.454 186 I HA -0.280 3.890 4.170 0.000 0.000 0.254 186 I C 1.880 177.669 176.117 -0.547 0.000 1.156 186 I CA 1.729 62.874 61.300 -0.258 0.000 1.433 186 I CB -0.014 37.853 38.000 -0.221 0.000 1.082 186 I HN 0.851 nan 8.210 nan 0.000 0.432 187 T N -1.807 112.390 114.554 -0.594 0.000 3.007 187 T HA -0.044 4.306 4.350 0.000 0.000 0.270 187 T C 1.246 175.682 174.700 -0.440 0.000 1.107 187 T CA 0.865 62.492 62.100 -0.788 0.000 1.118 187 T CB -0.358 68.270 68.868 -0.400 0.000 0.889 187 T HN 0.337 nan 8.240 nan 0.000 0.506 188 N N 0.735 119.270 118.700 -0.274 0.000 2.234 188 N HA 0.298 5.038 4.740 0.000 0.000 0.227 188 N C 1.201 176.653 175.510 -0.096 0.000 1.151 188 N CA 0.541 53.505 53.050 -0.143 0.000 0.865 188 N CB 0.890 39.321 38.487 -0.093 0.000 1.066 188 N HN 0.630 nan 8.380 nan 0.000 0.515 189 G N -0.132 108.596 108.800 -0.120 0.000 2.143 189 G HA2 -0.206 3.754 3.960 0.000 0.000 0.249 189 G HA3 -0.206 3.754 3.960 0.000 0.000 0.249 189 G C 0.451 175.360 174.900 0.015 0.000 0.981 189 G CA 0.095 45.180 45.100 -0.024 0.000 0.665 189 G HN 0.575 nan 8.290 nan 0.000 0.528 190 G N -0.552 108.229 108.800 -0.030 0.000 2.613 190 G HA2 0.765 4.725 3.960 0.000 0.000 0.303 190 G HA3 0.765 4.725 3.960 0.000 0.000 0.303 190 G C -0.782 174.136 174.900 0.031 0.000 1.312 190 G CA -0.353 44.743 45.100 -0.005 0.000 1.036 190 G HN 0.091 nan 8.290 nan 0.000 0.513 191 P HA 0.141 nan 4.420 nan 0.000 0.245 191 P C 0.521 177.873 177.300 0.088 0.000 1.203 191 P CA 0.144 63.309 63.100 0.109 0.000 0.792 191 P CB 0.497 32.261 31.700 0.107 0.000 0.997 192 I N 2.300 122.856 120.570 -0.022 0.000 2.505 192 I HA 0.053 4.223 4.170 0.000 0.000 0.287 192 I C 1.899 178.001 176.117 -0.026 0.000 1.104 192 I CA 0.010 61.315 61.300 0.008 0.000 1.387 192 I CB 0.595 38.572 38.000 -0.038 0.000 1.404 192 I HN -0.091 nan 8.210 nan 0.000 0.528 193 I N 4.255 124.818 120.570 -0.012 0.000 4.187 193 I HA 0.360 4.531 4.170 0.000 0.000 0.326 193 I C 0.072 176.164 176.117 -0.042 0.000 1.302 193 I CA 0.118 61.366 61.300 -0.087 0.000 1.196 193 I CB 0.429 38.297 38.000 -0.219 0.000 1.095 193 I HN 0.317 nan 8.210 nan 0.000 0.411 194 L N 0.131 121.360 121.223 0.009 0.000 2.415 194 L HA 0.545 4.886 4.340 0.000 0.000 0.256 194 L C -1.728 175.192 176.870 0.084 0.000 1.010 194 L CA -0.929 53.910 54.840 -0.002 0.000 0.826 194 L CB 2.722 44.732 42.059 -0.081 0.000 1.405 194 L HN -0.047 nan 8.230 nan 0.000 0.410 195 Y N 1.427 121.698 120.300 -0.048 0.000 2.421 195 Y HA 0.361 4.911 4.550 0.000 0.000 0.339 195 Y C -0.821 175.160 175.900 0.135 0.000 0.996 195 Y CA -0.482 57.644 58.100 0.043 0.000 1.046 195 Y CB 2.033 40.529 38.460 0.061 0.000 1.226 195 Y HN 0.523 nan 8.280 nan 0.000 0.445 196 Q N 8.404 128.209 119.800 0.008 0.000 2.325 196 Q HA 0.502 4.842 4.340 0.000 0.000 0.262 196 Q C -2.877 173.166 176.000 0.073 0.000 0.968 196 Q CA -2.307 53.533 55.803 0.061 0.000 0.877 196 Q CB 1.882 30.606 28.738 -0.023 0.000 1.253 196 Q HN 0.367 nan 8.270 nan 0.000 0.448 197 P HA 0.176 nan 4.420 nan 0.000 0.294 197 P C -0.394 176.905 177.300 -0.002 0.000 1.294 197 P CA 0.076 63.176 63.100 -0.000 0.000 0.827 197 P CB 1.489 33.028 31.700 -0.269 0.000 0.992 198 E N 1.518 121.738 120.200 0.033 0.000 4.014 198 E HA -0.261 4.089 4.350 0.000 0.000 0.209 198 E C -0.530 176.173 176.600 0.172 0.000 1.457 198 E CA 0.816 57.285 56.400 0.115 0.000 2.314 198 E CB -1.118 28.626 29.700 0.072 0.000 2.109 198 E HN 0.788 nan 8.360 nan 0.000 0.486 199 N N 0.514 119.366 118.700 0.254 0.000 2.648 199 N HA 0.158 4.898 4.740 0.000 0.000 0.272 199 N C -1.627 174.067 175.510 0.307 0.000 1.118 199 N CA 0.454 53.666 53.050 0.269 0.000 0.973 199 N CB 0.806 39.426 38.487 0.221 0.000 1.565 199 N HN 0.523 nan 8.380 nan 0.000 0.542 200 E N 1.687 122.049 120.200 0.271 0.000 2.199 200 E HA -0.300 4.050 4.350 0.000 0.000 0.208 200 E C -1.102 175.587 176.600 0.148 0.000 1.310 200 E CA 0.526 57.066 56.400 0.232 0.000 0.709 200 E CB -0.899 29.005 29.700 0.341 0.000 1.127 200 E HN 0.473 nan 8.360 nan 0.000 0.354 201 Y N 0.615 120.968 120.300 0.089 0.000 2.517 201 Y HA 0.084 4.634 4.550 0.000 0.000 0.341 201 Y C 0.475 176.424 175.900 0.083 0.000 1.247 201 Y CA 0.421 58.591 58.100 0.116 0.000 1.774 201 Y CB 0.075 38.667 38.460 0.219 0.000 1.641 201 Y HN 0.047 nan 8.280 nan 0.000 0.457 202 S N 1.268 116.707 115.700 -0.435 0.000 2.787 202 S HA 0.461 4.931 4.470 0.000 0.000 0.255 202 S C 0.353 174.364 174.600 -0.982 0.000 1.051 202 S CA 0.081 57.933 58.200 -0.581 0.000 1.124 202 S CB 0.899 63.787 63.200 -0.520 0.000 1.104 202 S HN 0.752 nan 8.310 nan 0.000 0.623 203 G N 0.567 108.455 108.800 -1.519 0.000 2.579 203 G HA2 0.695 4.655 3.960 0.000 0.000 0.292 203 G HA3 0.695 4.655 3.960 0.000 0.000 0.292 203 G C -1.518 172.744 174.900 -1.063 0.000 1.484 203 G CA 0.046 44.418 45.100 -1.213 0.000 0.813 203 G HN 0.397 nan 8.290 nan 0.000 0.515 204 A N -1.035 121.392 122.820 -0.655 0.000 2.524 204 A HA 1.034 5.354 4.320 0.000 0.000 0.286 204 A C 0.094 177.585 177.584 -0.156 0.000 1.203 204 A CA -0.128 51.720 52.037 -0.315 0.000 0.736 204 A CB 1.304 20.240 19.000 -0.107 0.000 1.322 204 A HN 2.681 nan 8.150 nan 0.000 0.424 205 C N -4.190 115.071 119.300 -0.064 0.000 3.233 205 C HA 0.504 4.964 4.460 0.000 0.000 0.358 205 C C 0.434 175.418 174.990 -0.009 0.000 1.461 205 C CA -0.162 58.831 59.018 -0.041 0.000 1.180 205 C CB 0.177 27.891 27.740 -0.043 0.000 1.604 205 C HN 2.288 nan 8.230 nan 0.000 0.437 206 C N 1.055 120.346 119.300 -0.014 0.000 4.274 206 C HA 0.282 4.742 4.460 0.000 0.000 0.297 206 C C 1.838 176.827 174.990 -0.002 0.000 1.446 206 C CA 1.787 60.798 59.018 -0.012 0.000 2.016 206 C CB -2.762 24.965 27.740 -0.021 0.000 1.273 206 C HN 3.051 nan 8.230 nan 0.000 0.782 207 G N -1.851 106.950 108.800 0.002 0.000 2.238 207 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 207 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 207 G C -0.189 174.734 174.900 0.038 0.000 0.996 207 G CA 0.277 45.381 45.100 0.007 0.000 0.632 207 G HN 1.515 nan 8.290 nan 0.000 0.503 208 Y N 2.678 122.937 120.300 -0.068 0.000 2.383 208 Y HA 0.652 5.202 4.550 0.000 0.000 0.344 208 Y C 0.524 176.395 175.900 -0.047 0.000 0.986 208 Y CA -1.079 56.979 58.100 -0.070 0.000 1.175 208 Y CB 0.587 38.985 38.460 -0.104 0.000 1.152 208 Y HN 0.060 nan 8.280 nan 0.000 0.511 209 N N 3.694 122.027 118.700 -0.612 0.000 2.282 209 N HA 0.104 4.844 4.740 0.000 0.000 0.240 209 N C 1.111 176.272 175.510 -0.581 0.000 1.182 209 N CA 0.482 53.240 53.050 -0.487 0.000 0.874 209 N CB 1.165 39.518 38.487 -0.224 0.000 1.126 209 N HN 0.947 nan 8.380 nan 0.000 0.516 210 G N -0.080 108.041 108.800 -1.131 0.000 2.985 210 G HA2 -0.016 3.944 3.960 0.000 0.000 0.209 210 G HA3 -0.016 3.944 3.960 0.000 0.000 0.209 210 G C 0.114 174.862 174.900 -0.254 0.000 1.165 210 G CA -0.205 44.572 45.100 -0.539 0.000 0.776 210 G HN 0.177 nan 8.290 nan 0.000 0.541 211 F N 3.193 122.874 119.950 -0.448 0.000 2.412 211 F HA 0.520 5.047 4.527 0.000 0.000 0.348 211 F C -1.651 174.044 175.800 -0.176 0.000 1.102 211 F CA -2.752 55.131 58.000 -0.195 0.000 1.196 211 F CB 1.122 39.985 39.000 -0.228 0.000 1.144 211 F HN -0.101 nan 8.300 nan 0.000 0.541 212 P HA 0.160 nan 4.420 nan 0.000 0.285 212 P C -1.583 175.561 177.300 -0.260 0.000 1.259 212 P CA -0.372 62.009 63.100 -1.199 0.000 0.794 212 P CB 1.405 32.384 31.700 -1.201 0.000 0.940 213 D N 1.879 122.341 120.400 0.103 0.000 2.428 213 D HA 0.222 4.862 4.640 0.000 0.000 0.221 213 D C 1.570 177.968 176.300 0.162 0.000 1.123 213 D CA -0.367 53.731 54.000 0.163 0.000 0.869 213 D CB 0.751 41.712 40.800 0.268 0.000 1.032 213 D HN 0.494 nan 8.370 nan 0.000 0.506 214 G N 2.449 111.294 108.800 0.074 0.000 2.469 214 G HA2 -0.306 3.654 3.960 0.000 0.000 0.219 214 G HA3 -0.306 3.654 3.960 0.000 0.000 0.219 214 G C 1.477 176.412 174.900 0.059 0.000 1.150 214 G CA 1.289 46.421 45.100 0.052 0.000 0.763 214 G HN 0.556 nan 8.290 nan 0.000 0.561 215 S N -0.628 115.124 115.700 0.087 0.000 2.423 215 S HA -0.125 4.345 4.470 0.000 0.000 0.231 215 S C 2.111 176.792 174.600 0.135 0.000 1.014 215 S CA 1.308 59.570 58.200 0.102 0.000 0.965 215 S CB -0.503 62.762 63.200 0.108 0.000 0.785 215 S HN 0.499 nan 8.310 nan 0.000 0.495 216 Y N 2.202 122.507 120.300 0.007 0.000 2.133 216 Y HA 0.025 4.575 4.550 0.000 0.000 0.287 216 Y C 2.374 178.229 175.900 -0.075 0.000 1.134 216 Y CA 1.581 59.657 58.100 -0.040 0.000 1.133 216 Y CB -0.431 37.995 38.460 -0.057 0.000 0.987 216 Y HN 0.130 nan 8.280 nan 0.000 0.502 217 M N 0.013 119.429 119.600 -0.307 0.000 2.175 217 M HA -0.191 4.289 4.480 0.000 0.000 0.264 217 M C 2.190 178.332 176.300 -0.263 0.000 1.063 217 M CA 1.624 56.667 55.300 -0.428 0.000 1.119 217 M CB -1.169 31.251 32.600 -0.300 0.000 1.377 217 M HN 0.370 nan 8.290 nan 0.000 0.415 218 Q N -0.340 119.390 119.800 -0.116 0.000 2.170 218 Q HA -0.192 4.148 4.340 0.000 0.000 0.203 218 Q C 1.875 177.863 176.000 -0.020 0.000 0.976 218 Q CA 1.642 57.408 55.803 -0.061 0.000 0.858 218 Q CB -0.575 28.165 28.738 0.004 0.000 0.907 218 Q HN 0.540 nan 8.270 nan 0.000 0.433 219 Y N -0.066 120.162 120.300 -0.121 0.000 2.145 219 Y HA -0.164 4.386 4.550 0.000 0.000 0.286 219 Y C 1.688 177.531 175.900 -0.095 0.000 1.145 219 Y CA 1.828 59.895 58.100 -0.054 0.000 1.148 219 Y CB -0.130 38.277 38.460 -0.088 0.000 0.981 219 Y HN 0.144 nan 8.280 nan 0.000 0.507 220 I N 0.029 120.578 120.570 -0.035 0.000 2.226 220 I HA -0.280 3.890 4.170 0.000 0.000 0.245 220 I C 2.165 178.176 176.117 -0.177 0.000 1.100 220 I CA 1.761 62.983 61.300 -0.129 0.000 1.374 220 I CB -0.455 37.383 38.000 -0.271 0.000 1.057 220 I HN 0.279 nan 8.210 nan 0.000 0.413 221 E N 0.868 120.882 120.200 -0.310 0.000 2.051 221 E HA -0.227 4.123 4.350 0.000 0.000 0.192 221 E C 1.791 178.343 176.600 -0.080 0.000 0.991 221 E CA 1.428 57.553 56.400 -0.458 0.000 0.799 221 E CB -0.077 29.289 29.700 -0.558 0.000 0.748 221 E HN 0.411 nan 8.360 nan 0.000 0.449 222 D N -0.105 120.255 120.400 -0.067 0.000 2.117 222 D HA -0.149 4.491 4.640 0.000 0.000 0.197 222 D C 1.842 178.067 176.300 -0.126 0.000 0.987 222 D CA 1.045 55.005 54.000 -0.068 0.000 0.829 222 D CB -0.288 40.453 40.800 -0.099 0.000 0.961 222 D HN 0.334 nan 8.370 nan 0.000 0.460 223 H N 0.085 119.006 119.070 -0.249 0.000 2.387 223 H HA -0.006 4.551 4.556 0.000 0.000 0.299 223 H C 1.997 177.232 175.328 -0.154 0.000 1.090 223 H CA 1.226 57.128 56.048 -0.244 0.000 1.332 223 H CB 0.215 29.788 29.762 -0.314 0.000 1.386 223 H HN 0.095 nan 8.280 nan 0.000 0.516 224 A N 1.460 124.275 122.820 -0.007 0.000 1.898 224 A HA -0.137 4.183 4.320 0.000 0.000 0.216 224 A C 2.446 179.962 177.584 -0.114 0.000 1.181 224 A CA 0.857 52.846 52.037 -0.079 0.000 0.620 224 A CB -0.231 18.680 19.000 -0.148 0.000 0.819 224 A HN 0.240 nan 8.150 nan 0.000 0.442 225 R N -0.026 120.452 120.500 -0.035 0.000 2.081 225 R HA -0.120 4.220 4.340 0.000 0.000 0.235 225 R C 1.280 177.514 176.300 -0.109 0.000 1.131 225 R CA 1.537 57.588 56.100 -0.081 0.000 0.960 225 R CB -0.656 29.634 30.300 -0.017 0.000 0.856 225 R HN 0.489 nan 8.270 nan 0.000 0.436 226 D N 0.495 120.819 120.400 -0.127 0.000 2.264 226 D HA -0.071 4.569 4.640 0.000 0.000 0.208 226 D C 1.349 177.572 176.300 -0.128 0.000 0.966 226 D CA 0.949 54.861 54.000 -0.148 0.000 0.864 226 D CB 0.035 40.700 40.800 -0.226 0.000 0.933 226 D HN 0.207 nan 8.370 nan 0.000 0.499 227 A N -0.562 122.186 122.820 -0.120 0.000 2.251 227 A HA 0.451 4.771 4.320 0.000 0.000 0.209 227 A C 1.719 179.248 177.584 -0.091 0.000 1.187 227 A CA 0.977 52.954 52.037 -0.100 0.000 0.823 227 A CB 0.105 19.050 19.000 -0.090 0.000 0.846 227 A HN 0.237 nan 8.150 nan 0.000 0.486 228 G N -1.070 107.667 108.800 -0.105 0.000 2.192 228 G HA2 -0.139 3.821 3.960 0.000 0.000 0.193 228 G HA3 -0.139 3.821 3.960 0.000 0.000 0.193 228 G C -0.038 174.782 174.900 -0.134 0.000 0.999 228 G CA -0.101 44.938 45.100 -0.101 0.000 0.659 228 G HN 0.248 nan 8.290 nan 0.000 0.503 229 I N 2.652 123.108 120.570 -0.189 0.000 2.505 229 I HA 0.250 4.420 4.170 0.000 0.000 0.287 229 I C 1.827 177.762 176.117 -0.302 0.000 1.104 229 I CA 0.623 61.752 61.300 -0.286 0.000 1.387 229 I CB 0.908 38.594 38.000 -0.524 0.000 1.404 229 I HN 0.387 nan 8.210 nan 0.000 0.528 230 V N 5.545 125.306 119.914 -0.256 0.000 3.612 230 V HA 0.147 4.267 4.120 0.000 0.000 0.268 230 V C 0.673 176.625 176.094 -0.236 0.000 1.365 230 V CA -0.130 62.036 62.300 -0.224 0.000 1.044 230 V CB -0.034 31.708 31.823 -0.136 0.000 0.820 230 V HN 0.448 nan 8.190 nan 0.000 0.444 231 V N -1.532 118.236 119.914 -0.243 0.000 3.237 231 V HA 0.472 4.592 4.120 0.000 0.000 0.305 231 V C -2.170 173.751 176.094 -0.288 0.000 1.096 231 V CA -1.665 60.525 62.300 -0.183 0.000 1.130 231 V CB -0.363 31.389 31.823 -0.118 0.000 1.048 231 V HN 0.256 nan 8.190 nan 0.000 0.484 232 P HA 0.252 nan 4.420 nan 0.000 0.269 232 P C -0.949 176.220 177.300 -0.217 0.000 1.209 232 P CA 0.118 63.113 63.100 -0.174 0.000 0.776 232 P CB 0.087 31.746 31.700 -0.068 0.000 0.876 233 F N 2.483 122.391 119.950 -0.069 0.000 2.404 233 F HA 0.457 4.984 4.527 0.000 0.000 0.345 233 F C 0.744 176.463 175.800 -0.135 0.000 1.110 233 F CA -0.361 57.612 58.000 -0.046 0.000 1.130 233 F CB 0.409 39.394 39.000 -0.026 0.000 1.129 233 F HN 0.134 nan 8.300 nan 0.000 0.500 234 I N 2.866 123.477 120.570 0.069 0.000 2.545 234 I HA 0.470 4.640 4.170 0.000 0.000 0.292 234 I C -0.323 175.749 176.117 -0.075 0.000 1.040 234 I CA -0.290 60.937 61.300 -0.122 0.000 1.068 234 I CB 1.454 39.266 38.000 -0.314 0.000 1.251 234 I HN 0.662 nan 8.210 nan 0.000 0.424 235 S N 4.827 120.461 115.700 -0.110 0.000 2.745 235 S HA 0.528 4.998 4.470 0.000 0.000 0.292 235 S C -0.454 174.067 174.600 -0.131 0.000 1.133 235 S CA -0.666 57.492 58.200 -0.070 0.000 0.998 235 S CB 1.459 64.652 63.200 -0.012 0.000 1.087 235 S HN 0.737 nan 8.310 nan 0.000 0.551 236 N N 0.298 118.975 118.700 -0.039 0.000 2.711 236 N HA 0.146 4.886 4.740 0.000 0.000 0.263 236 N C -1.566 173.984 175.510 0.067 0.000 1.667 236 N CA -0.370 52.672 53.050 -0.013 0.000 0.785 236 N CB 0.117 38.644 38.487 0.068 0.000 1.231 236 N HN 0.541 nan 8.380 nan 0.000 0.503 237 D N 1.138 121.543 120.400 0.009 0.000 2.525 237 D HA 0.093 4.733 4.640 0.000 0.000 0.235 237 D C 1.381 177.760 176.300 0.131 0.000 1.137 237 D CA 0.247 54.288 54.000 0.068 0.000 0.868 237 D CB 1.504 42.349 40.800 0.075 0.000 1.180 237 D HN 0.526 nan 8.370 nan 0.000 0.465 238 A N 3.844 126.735 122.820 0.117 0.000 1.978 238 A HA -0.031 4.289 4.320 0.000 0.000 0.220 238 A C 0.522 178.447 177.584 0.567 0.000 1.170 238 A CA 1.524 53.803 52.037 0.404 0.000 0.636 238 A CB -0.444 18.881 19.000 0.543 0.000 0.810 238 A HN 0.693 nan 8.150 nan 0.000 0.448 239 W N -4.634 116.850 121.300 0.308 0.000 3.018 239 W HA 0.675 5.335 4.660 0.000 0.000 0.352 239 W C -0.290 176.276 176.519 0.079 0.000 1.230 239 W CA -0.854 56.632 57.345 0.235 0.000 1.162 239 W CB 0.910 30.517 29.460 0.244 0.000 1.483 239 W HN 0.096 nan 8.180 nan 0.000 0.584 240 A N 1.270 124.113 122.820 0.038 0.000 2.899 240 A HA 0.520 4.840 4.320 0.000 0.000 0.287 240 A C 0.626 178.249 177.584 0.065 0.000 1.715 240 A CA 0.406 52.349 52.037 -0.157 0.000 1.393 240 A CB -1.075 17.732 19.000 -0.322 0.000 1.070 240 A HN 1.273 nan 8.150 nan 0.000 0.587 241 A N 1.032 123.750 122.820 -0.171 0.000 2.382 241 A HA 0.494 4.814 4.320 0.000 0.000 0.228 241 A C 1.603 178.916 177.584 -0.452 0.000 1.217 241 A CA 0.841 52.687 52.037 -0.319 0.000 0.923 241 A CB -0.282 18.259 19.000 -0.766 0.000 0.979 241 A HN 2.170 nan 8.150 nan 0.000 0.515 242 G N -0.324 108.234 108.800 -0.404 0.000 2.143 242 G HA2 -0.281 3.680 3.960 0.000 0.000 0.248 242 G HA3 -0.281 3.680 3.960 0.000 0.000 0.248 242 G C -0.037 174.632 174.900 -0.386 0.000 0.991 242 G CA 0.455 45.148 45.100 -0.678 0.000 0.689 242 G HN 0.800 nan 8.290 nan 0.000 0.522 243 H N -0.183 118.882 119.070 -0.009 0.000 2.964 243 H HA 0.339 4.895 4.556 0.000 0.000 0.328 243 H C 1.372 176.786 175.328 0.143 0.000 1.030 243 H CA 0.741 56.814 56.048 0.042 0.000 1.445 243 H CB 0.152 29.953 29.762 0.066 0.000 1.449 243 H HN 0.493 nan 8.280 nan 0.000 0.581 244 N N -0.322 118.498 118.700 0.200 0.000 2.741 244 N HA -0.249 4.491 4.740 0.000 0.000 0.251 244 N C -0.475 175.122 175.510 0.144 0.000 1.112 244 N CA 0.126 53.270 53.050 0.156 0.000 0.750 244 N CB -0.620 37.978 38.487 0.185 0.000 1.119 244 N HN 0.686 nan 8.380 nan 0.000 0.561 245 A N 0.370 123.224 122.820 0.056 0.000 2.406 245 A HA 0.440 4.760 4.320 0.000 0.000 0.243 245 A C -1.928 175.662 177.584 0.010 0.000 1.082 245 A CA -0.746 51.288 52.037 -0.006 0.000 0.786 245 A CB 0.205 19.018 19.000 -0.312 0.000 1.029 245 A HN -0.035 nan 8.150 nan 0.000 0.495 246 P HA 0.228 nan 4.420 nan 0.000 0.264 246 P C 0.962 178.270 177.300 0.012 0.000 1.183 246 P CA 2.098 65.223 63.100 0.042 0.000 0.763 246 P CB 0.555 32.297 31.700 0.069 0.000 0.807 247 G N 1.990 110.803 108.800 0.021 0.000 2.175 247 G HA2 -0.264 3.696 3.960 0.000 0.000 0.244 247 G HA3 -0.264 3.696 3.960 0.000 0.000 0.244 247 G C 0.778 175.675 174.900 -0.006 0.000 0.982 247 G CA 0.444 45.547 45.100 0.005 0.000 0.641 247 G HN 0.613 nan 8.290 nan 0.000 0.527 248 T N -0.920 113.632 114.554 -0.004 0.000 3.169 248 T HA 0.514 4.864 4.350 0.000 0.000 0.250 248 T C 2.027 176.728 174.700 0.002 0.000 1.111 248 T CA 1.312 63.407 62.100 -0.008 0.000 1.010 248 T CB 0.475 69.338 68.868 -0.008 0.000 0.984 248 T HN 2.363 nan 8.240 nan 0.000 0.537 249 G N 1.608 110.413 108.800 0.010 0.000 2.499 249 G HA2 0.152 4.112 3.960 0.000 0.000 0.232 249 G HA3 0.152 4.112 3.960 0.000 0.000 0.232 249 G C 0.137 175.047 174.900 0.017 0.000 1.251 249 G CA -0.294 44.814 45.100 0.012 0.000 0.917 249 G HN 1.244 nan 8.290 nan 0.000 0.580 250 A N -0.013 122.816 122.820 0.016 0.000 2.565 250 A HA 0.574 4.894 4.320 0.000 0.000 0.237 250 A C 2.193 179.783 177.584 0.010 0.000 1.053 250 A CA 2.601 54.647 52.037 0.017 0.000 0.755 250 A CB -0.459 18.555 19.000 0.023 0.000 0.980 250 A HN 2.962 nan 8.150 nan 0.000 0.506 251 G N 0.749 109.545 108.800 -0.007 0.000 2.217 251 G HA2 0.135 4.095 3.960 0.000 0.000 0.246 251 G HA3 0.135 4.095 3.960 0.000 0.000 0.246 251 G C 0.684 175.571 174.900 -0.021 0.000 0.990 251 G CA 0.506 45.584 45.100 -0.037 0.000 0.627 251 G HN 2.307 nan 8.290 nan 0.000 0.522 252 A N 0.376 123.204 122.820 0.014 0.000 2.511 252 A HA 0.609 4.929 4.320 0.000 0.000 0.242 252 A C 1.142 178.755 177.584 0.049 0.000 1.069 252 A CA 0.643 52.705 52.037 0.040 0.000 0.763 252 A CB 0.303 19.331 19.000 0.046 0.000 1.001 252 A HN 1.925 nan 8.150 nan 0.000 0.498 253 V N 0.147 120.101 119.914 0.066 0.000 3.262 253 V HA 0.382 4.502 4.120 0.000 0.000 0.313 253 V C 0.641 176.780 176.094 0.074 0.000 1.070 253 V CA -0.207 62.145 62.300 0.087 0.000 1.049 253 V CB 0.834 32.697 31.823 0.066 0.000 1.157 253 V HN 0.821 nan 8.190 nan 0.000 0.454 254 D N 0.094 120.516 120.400 0.037 0.000 2.137 254 D HA 0.193 4.833 4.640 0.000 0.000 0.202 254 D C 0.520 176.571 176.300 -0.414 0.000 0.970 254 D CA 1.664 55.582 54.000 -0.136 0.000 0.837 254 D CB 0.325 40.990 40.800 -0.225 0.000 0.981 254 D HN 0.514 nan 8.370 nan 0.000 0.475 255 I N 0.789 121.128 120.570 -0.385 0.000 2.439 255 I HA 0.110 4.280 4.170 0.000 0.000 0.285 255 I C -0.864 175.163 176.117 -0.150 0.000 1.021 255 I CA -1.084 59.981 61.300 -0.393 0.000 1.091 255 I CB 1.937 39.601 38.000 -0.559 0.000 1.242 255 I HN -0.157 nan 8.210 nan 0.000 0.439 256 Y N 6.090 126.318 120.300 -0.120 0.000 2.402 256 Y HA 0.580 5.130 4.550 0.000 0.000 0.333 256 Y C 0.360 176.245 175.900 -0.025 0.000 1.076 256 Y CA -0.112 57.968 58.100 -0.033 0.000 1.299 256 Y CB 0.961 39.436 38.460 0.024 0.000 1.197 256 Y HN 0.560 nan 8.280 nan 0.000 0.517 257 G N 4.458 112.765 108.800 -0.821 0.000 2.574 257 G HA2 0.567 4.527 3.960 0.000 0.000 0.299 257 G HA3 0.567 4.527 3.960 0.000 0.000 0.299 257 G C -2.009 172.470 174.900 -0.703 0.000 1.298 257 G CA -0.847 43.861 45.100 -0.654 0.000 0.952 257 G HN 0.974 nan 8.290 nan 0.000 0.477 258 H N -1.610 117.183 119.070 -0.461 0.000 2.990 258 H HA 0.757 5.313 4.556 0.000 0.000 0.343 258 H C -1.490 173.785 175.328 -0.088 0.000 1.270 258 H CA -0.953 54.946 56.048 -0.249 0.000 1.118 258 H CB 1.927 31.593 29.762 -0.160 0.000 1.861 258 H HN 0.321 nan 8.280 nan 0.000 0.544 259 D N -0.313 120.198 120.400 0.184 0.000 2.449 259 D HA 0.560 5.200 4.640 0.000 0.000 0.250 259 D C -0.745 175.741 176.300 0.311 0.000 1.050 259 D CA -0.668 53.440 54.000 0.179 0.000 1.024 259 D CB 1.935 42.928 40.800 0.321 0.000 1.218 259 D HN 0.481 nan 8.370 nan 0.000 0.566 260 S N -0.146 115.639 115.700 0.142 0.000 2.582 260 S HA 0.381 4.851 4.470 0.000 0.000 0.287 260 S C -2.134 172.246 174.600 -0.367 0.000 1.146 260 S CA -0.631 57.677 58.200 0.181 0.000 0.941 260 S CB 0.022 63.530 63.200 0.513 0.000 1.115 260 S HN 0.357 nan 8.310 nan 0.000 0.458 261 Y N 4.491 124.751 120.300 -0.067 0.000 2.584 261 Y HA 0.353 4.903 4.550 0.000 0.000 0.358 261 Y C -2.048 173.674 175.900 -0.296 0.000 1.028 261 Y CA -1.627 56.292 58.100 -0.301 0.000 1.148 261 Y CB 1.026 39.263 38.460 -0.371 0.000 1.126 261 Y HN 0.475 nan 8.280 nan 0.000 0.658 262 P HA -0.201 nan 4.420 nan 0.000 0.217 262 P C 1.076 178.283 177.300 -0.155 0.000 1.151 262 P CA 1.628 64.720 63.100 -0.014 0.000 0.849 262 P CB 0.377 32.193 31.700 0.193 0.000 0.787 263 L N -2.836 118.162 121.223 -0.375 0.000 2.607 263 L HA 0.295 4.635 4.340 0.000 0.000 0.228 263 L C 1.182 177.822 176.870 -0.383 0.000 1.123 263 L CA 0.007 54.616 54.840 -0.386 0.000 0.890 263 L CB -0.824 40.878 42.059 -0.594 0.000 1.103 263 L HN 0.109 nan 8.230 nan 0.000 0.468 264 G N 0.139 108.640 108.800 -0.498 0.000 2.741 264 G HA2 -0.308 3.652 3.960 0.000 0.000 0.222 264 G HA3 -0.308 3.652 3.960 0.000 0.000 0.222 264 G C -0.299 174.048 174.900 -0.921 0.000 1.364 264 G CA -0.243 44.458 45.100 -0.666 0.000 0.866 264 G HN 0.074 nan 8.290 nan 0.000 0.555 265 F N 0.400 120.131 119.950 -0.365 0.000 2.683 265 F HA 0.362 4.889 4.527 0.000 0.000 0.306 265 F C 0.780 176.315 175.800 -0.442 0.000 1.102 265 F CA -0.151 57.474 58.000 -0.624 0.000 1.244 265 F CB 0.905 39.154 39.000 -1.252 0.000 1.029 265 F HN 0.384 nan 8.300 nan 0.000 0.545 266 D N -0.037 120.270 120.400 -0.154 0.000 2.427 266 D HA 0.220 4.861 4.640 0.000 0.000 0.226 266 D C 0.203 176.440 176.300 -0.106 0.000 1.076 266 D CA -0.254 53.690 54.000 -0.093 0.000 0.849 266 D CB 0.893 41.666 40.800 -0.045 0.000 1.052 266 D HN 0.111 nan 8.370 nan 0.000 0.515 267 c N 3.609 122.146 118.600 -0.105 0.000 2.559 267 c HA 0.392 4.962 4.570 0.000 0.000 0.300 267 c C 2.206 176.267 174.090 -0.048 0.000 1.288 267 c CA 0.044 56.320 56.329 -0.087 0.000 1.699 267 c CB -1.519 40.935 42.510 -0.095 0.000 1.819 267 c HN 0.729 nan 8.230 nan 0.000 0.600 268 A N 1.549 124.346 122.820 -0.038 0.000 2.019 268 A HA -0.112 4.208 4.320 0.000 0.000 0.219 268 A C 0.993 178.572 177.584 -0.008 0.000 1.164 268 A CA 1.458 53.482 52.037 -0.022 0.000 0.644 268 A CB -0.195 18.795 19.000 -0.016 0.000 0.805 268 A HN 0.681 nan 8.150 nan 0.000 0.449 269 N N -0.660 118.040 118.700 0.001 0.000 2.918 269 N HA 0.242 4.982 4.740 0.000 0.000 0.270 269 N C -2.480 173.054 175.510 0.039 0.000 1.536 269 N CA -1.159 51.902 53.050 0.018 0.000 0.877 269 N CB 1.030 39.532 38.487 0.025 0.000 1.190 269 N HN 0.068 nan 8.380 nan 0.000 0.492 270 P HA -0.165 nan 4.420 nan 0.000 0.217 270 P C 1.367 178.724 177.300 0.096 0.000 1.148 270 P CA 1.411 64.546 63.100 0.058 0.000 0.834 270 P CB 0.325 32.049 31.700 0.039 0.000 0.783 271 S N -3.723 112.002 115.700 0.042 0.000 2.575 271 S HA 0.083 4.553 4.470 0.000 0.000 0.215 271 S C 0.723 175.304 174.600 -0.033 0.000 0.966 271 S CA -0.099 58.081 58.200 -0.033 0.000 0.911 271 S CB -0.956 62.203 63.200 -0.068 0.000 0.780 271 S HN -0.043 nan 8.310 nan 0.000 0.514 272 T N 3.225 117.839 114.554 0.100 0.000 2.743 272 T HA 0.304 4.654 4.350 0.000 0.000 0.293 272 T C -1.360 173.584 174.700 0.406 0.000 0.945 272 T CA -0.239 61.950 62.100 0.149 0.000 1.030 272 T CB 0.076 69.004 68.868 0.100 0.000 0.912 272 T HN 0.396 nan 8.240 nan 0.000 0.483 273 W N 5.076 126.387 121.300 0.018 0.000 2.394 273 W HA 0.385 5.045 4.660 0.000 0.000 0.312 273 W C -2.483 174.098 176.519 0.104 0.000 0.981 273 W CA -3.225 54.178 57.345 0.096 0.000 1.519 273 W CB -0.353 29.099 29.460 -0.013 0.000 1.304 273 W HN 0.455 nan 8.180 nan 0.000 0.412 274 P HA -0.078 nan 4.420 nan 0.000 0.265 274 P C 0.449 177.957 177.300 0.347 0.000 1.187 274 P CA 0.475 63.731 63.100 0.261 0.000 0.766 274 P CB 0.765 32.580 31.700 0.192 0.000 0.820 275 S N 2.598 118.443 115.700 0.242 0.000 2.546 275 S HA 0.291 4.761 4.470 0.000 0.000 0.290 275 S C 1.560 176.326 174.600 0.276 0.000 1.290 275 S CA 0.908 59.264 58.200 0.259 0.000 1.069 275 S CB -1.092 62.199 63.200 0.152 0.000 0.846 275 S HN 0.905 nan 8.310 nan 0.000 0.495 276 G N 4.838 113.834 108.800 0.327 0.000 2.184 276 G HA2 -0.287 3.673 3.960 0.000 0.000 0.264 276 G HA3 -0.287 3.673 3.960 0.000 0.000 0.264 276 G C 0.680 175.653 174.900 0.121 0.000 0.975 276 G CA 0.619 45.836 45.100 0.195 0.000 0.642 276 G HN 0.705 nan 8.290 nan 0.000 0.536 277 N N -0.473 118.314 118.700 0.146 0.000 2.381 277 N HA 0.103 4.843 4.740 0.000 0.000 0.182 277 N C 0.994 176.437 175.510 -0.112 0.000 1.025 277 N CA 0.629 53.715 53.050 0.059 0.000 0.888 277 N CB -0.025 38.571 38.487 0.181 0.000 0.965 277 N HN 0.605 nan 8.380 nan 0.000 0.438 278 L N 3.226 124.096 121.223 -0.589 0.000 2.369 278 L HA 0.243 4.583 4.340 0.000 0.000 0.279 278 L C -2.182 174.539 176.870 -0.248 0.000 1.108 278 L CA -1.603 52.858 54.840 -0.632 0.000 0.852 278 L CB 0.149 41.549 42.059 -1.098 0.000 1.169 278 L HN 0.018 nan 8.230 nan 0.000 0.452 279 P HA 0.154 nan 4.420 nan 0.000 0.276 279 P C -0.239 176.921 177.300 -0.232 0.000 1.230 279 P CA -0.227 62.688 63.100 -0.308 0.000 0.776 279 P CB 0.962 32.136 31.700 -0.877 0.000 0.888 280 T N -1.595 112.914 114.554 -0.074 0.000 3.058 280 T HA 0.084 4.434 4.350 0.000 0.000 0.278 280 T C 0.891 175.672 174.700 0.136 0.000 0.974 280 T CA -0.035 62.150 62.100 0.142 0.000 0.893 280 T CB -0.720 68.238 68.868 0.149 0.000 1.138 280 T HN 0.425 nan 8.240 nan 0.000 0.529 281 Y N -1.014 119.232 120.300 -0.090 0.000 2.458 281 Y HA 0.570 5.120 4.550 0.000 0.000 0.256 281 Y C 1.201 177.063 175.900 -0.064 0.000 1.159 281 Y CA -1.710 56.373 58.100 -0.027 0.000 1.261 281 Y CB -0.461 38.023 38.460 0.041 0.000 1.119 281 Y HN -0.013 nan 8.280 nan 0.000 0.524 282 F N 1.384 120.678 119.950 -1.093 0.000 2.161 282 F HA -0.214 4.313 4.527 0.000 0.000 0.300 282 F C 2.840 178.185 175.800 -0.758 0.000 1.089 282 F CA 1.701 59.076 58.000 -1.041 0.000 1.282 282 F CB -1.254 36.886 39.000 -1.433 0.000 1.010 282 F HN 0.473 nan 8.300 nan 0.000 0.485 283 H N -0.412 118.346 119.070 -0.520 0.000 2.363 283 H HA -0.111 4.445 4.556 0.000 0.000 0.301 283 H C 1.835 177.149 175.328 -0.024 0.000 1.074 283 H CA 1.833 57.775 56.048 -0.176 0.000 1.354 283 H CB 0.155 29.989 29.762 0.119 0.000 1.397 283 H HN 0.143 nan 8.280 nan 0.000 0.516 284 T N 0.154 114.623 114.554 -0.141 0.000 2.652 284 T HA -0.144 4.206 4.350 0.000 0.000 0.267 284 T C 2.308 176.954 174.700 -0.090 0.000 1.039 284 T CA 1.669 63.685 62.100 -0.140 0.000 1.153 284 T CB -0.358 68.530 68.868 0.033 0.000 0.863 284 T HN 0.303 nan 8.240 nan 0.000 0.428 285 S N 0.125 115.842 115.700 0.027 0.000 2.382 285 S HA -0.159 4.311 4.470 0.000 0.000 0.228 285 S C 1.869 176.468 174.600 -0.002 0.000 1.027 285 S CA 0.909 59.140 58.200 0.052 0.000 0.991 285 S CB -0.516 62.794 63.200 0.184 0.000 0.823 285 S HN 0.609 nan 8.310 nan 0.000 0.469 286 H N 1.332 120.343 119.070 -0.098 0.000 2.353 286 H HA -0.052 4.504 4.556 0.000 0.000 0.300 286 H C 1.638 176.929 175.328 -0.062 0.000 1.090 286 H CA 1.465 57.489 56.048 -0.039 0.000 1.327 286 H CB 0.048 29.737 29.762 -0.122 0.000 1.383 286 H HN 0.271 nan 8.280 nan 0.000 0.508 287 E N 0.626 120.656 120.200 -0.284 0.000 2.268 287 E HA -0.126 4.224 4.350 0.000 0.000 0.195 287 E C 2.181 178.646 176.600 -0.226 0.000 0.995 287 E CA 0.703 56.927 56.400 -0.293 0.000 0.836 287 E CB -0.061 29.486 29.700 -0.254 0.000 0.763 287 E HN 0.721 nan 8.360 nan 0.000 0.491 288 Q N -0.186 119.504 119.800 -0.183 0.000 2.250 288 Q HA 0.020 4.360 4.340 0.000 0.000 0.200 288 Q C 1.936 177.837 176.000 -0.166 0.000 0.941 288 Q CA 0.609 56.329 55.803 -0.139 0.000 0.872 288 Q CB 0.175 28.855 28.738 -0.096 0.000 0.965 288 Q HN 0.307 nan 8.270 nan 0.000 0.480 289 Q N -0.602 119.072 119.800 -0.209 0.000 2.349 289 Q HA 0.130 4.470 4.340 0.000 0.000 0.209 289 Q C 0.579 176.398 176.000 -0.302 0.000 0.920 289 Q CA 0.495 56.131 55.803 -0.279 0.000 0.901 289 Q CB 0.822 29.342 28.738 -0.363 0.000 1.021 289 Q HN -0.042 nan 8.270 nan 0.000 0.519 290 S N 0.261 115.786 115.700 -0.292 0.000 2.630 290 S HA 0.168 4.638 4.470 0.000 0.000 0.173 290 S C -2.277 172.137 174.600 -0.309 0.000 1.048 290 S CA -0.852 57.231 58.200 -0.194 0.000 1.172 290 S CB 0.511 63.715 63.200 0.006 0.000 1.638 290 S HN 0.017 nan 8.310 nan 0.000 0.429 291 P HA -0.084 nan 4.420 nan 0.000 0.222 291 P C 1.326 178.600 177.300 -0.044 0.000 1.147 291 P CA 0.991 63.938 63.100 -0.256 0.000 0.790 291 P CB -0.110 31.493 31.700 -0.163 0.000 0.780 292 S N -1.310 114.399 115.700 0.016 0.000 2.562 292 S HA 0.025 4.495 4.470 0.000 0.000 0.221 292 S C 0.974 175.715 174.600 0.236 0.000 0.975 292 S CA 0.296 58.565 58.200 0.115 0.000 0.918 292 S CB -1.229 62.045 63.200 0.123 0.000 0.772 292 S HN 0.318 nan 8.310 nan 0.000 0.531 293 T N -0.973 113.711 114.554 0.217 0.000 2.924 293 T HA 0.654 5.004 4.350 0.000 0.000 0.291 293 T C -3.501 171.370 174.700 0.286 0.000 1.045 293 T CA -2.629 59.600 62.100 0.215 0.000 1.015 293 T CB 1.400 70.260 68.868 -0.014 0.000 1.103 293 T HN -0.160 nan 8.240 nan 0.000 0.496 294 P HA 0.071 nan 4.420 nan 0.000 0.264 294 P C -0.872 176.445 177.300 0.029 0.000 1.193 294 P CA -0.269 62.899 63.100 0.114 0.000 0.763 294 P CB -0.091 31.655 31.700 0.077 0.000 0.810 295 Y N 3.682 123.791 120.300 -0.319 0.000 2.729 295 Y HA 0.120 4.670 4.550 0.000 0.000 0.331 295 Y C -0.207 175.558 175.900 -0.225 0.000 1.208 295 Y CA 0.514 58.284 58.100 -0.550 0.000 1.521 295 Y CB -0.110 37.956 38.460 -0.656 0.000 1.233 295 Y HN 0.256 nan 8.280 nan 0.000 0.539 296 S N 7.187 122.461 115.700 -0.710 0.000 2.557 296 S HA 0.533 5.003 4.470 0.000 0.000 0.291 296 S C -0.965 173.203 174.600 -0.720 0.000 1.116 296 S CA -0.813 57.050 58.200 -0.563 0.000 0.992 296 S CB 1.100 64.112 63.200 -0.312 0.000 1.028 296 S HN 0.643 nan 8.310 nan 0.000 0.484 297 L N 3.619 124.521 121.223 -0.535 0.000 2.313 297 L HA 0.352 4.692 4.340 0.000 0.000 0.273 297 L C 0.803 177.628 176.870 -0.074 0.000 1.028 297 L CA -0.404 54.174 54.840 -0.436 0.000 0.871 297 L CB 1.061 42.911 42.059 -0.348 0.000 1.242 297 L HN 0.546 nan 8.230 nan 0.000 0.434 298 V N 1.562 121.448 119.914 -0.046 0.000 2.809 298 V HA -0.046 4.074 4.120 0.000 0.000 0.256 298 V C 0.675 176.874 176.094 0.175 0.000 1.080 298 V CA 1.269 63.653 62.300 0.141 0.000 1.102 298 V CB -0.356 31.464 31.823 -0.005 0.000 0.705 298 V HN 0.685 nan 8.190 nan 0.000 0.475 299 E N -0.684 119.585 120.200 0.116 0.000 2.409 299 E HA 0.364 4.714 4.350 0.000 0.000 0.259 299 E C -1.616 174.984 176.600 0.000 0.000 0.932 299 E CA -0.341 56.152 56.400 0.155 0.000 0.809 299 E CB 1.837 31.671 29.700 0.224 0.000 1.341 299 E HN 0.238 nan 8.360 nan 0.000 0.405 300 F N 2.121 122.017 119.950 -0.089 0.000 2.482 300 F HA 0.243 4.771 4.527 0.000 0.000 0.331 300 F C 0.241 175.989 175.800 -0.087 0.000 1.115 300 F CA -0.735 57.178 58.000 -0.145 0.000 0.955 300 F CB 1.592 40.571 39.000 -0.036 0.000 1.136 300 F HN 0.310 nan 8.300 nan 0.000 0.452 301 Q N 3.167 122.412 119.800 -0.925 0.000 2.436 301 Q HA 0.130 4.470 4.340 0.000 0.000 0.326 301 Q C 0.529 176.795 176.000 0.444 0.000 1.079 301 Q CA 1.162 56.818 55.803 -0.246 0.000 1.049 301 Q CB 0.426 28.956 28.738 -0.347 0.000 1.047 301 Q HN 0.980 nan 8.270 nan 0.000 0.386 302 G N 2.342 111.456 108.800 0.522 0.000 3.528 302 G HA2 0.521 4.481 3.960 0.000 0.000 0.266 302 G HA3 0.521 4.481 3.960 0.000 0.000 0.266 302 G C 0.145 175.316 174.900 0.452 0.000 1.004 302 G CA 0.386 45.836 45.100 0.583 0.000 0.853 302 G HN 0.954 nan 8.290 nan 0.000 0.501 303 G N -0.858 108.161 108.800 0.366 0.000 2.452 303 G HA2 0.642 4.602 3.960 0.000 0.000 0.224 303 G HA3 0.642 4.602 3.960 0.000 0.000 0.224 303 G C -1.645 173.111 174.900 -0.239 0.000 1.208 303 G CA 0.253 45.392 45.100 0.065 0.000 0.946 303 G HN 1.312 nan 8.290 nan 0.000 0.481 304 A N -1.282 121.016 122.820 -0.870 0.000 2.608 304 A HA 0.818 5.138 4.320 0.000 0.000 0.292 304 A C -0.731 176.320 177.584 -0.888 0.000 1.066 304 A CA -0.234 51.357 52.037 -0.744 0.000 0.676 304 A CB 0.613 19.412 19.000 -0.335 0.000 1.277 304 A HN 2.057 nan 8.150 nan 0.000 0.413 305 F N 0.150 119.907 119.950 -0.323 0.000 2.368 305 F HA 0.816 5.343 4.527 0.000 0.000 0.315 305 F C -0.031 175.769 175.800 -0.001 0.000 1.145 305 F CA -0.933 57.076 58.000 0.016 0.000 1.095 305 F CB 0.481 39.559 39.000 0.131 0.000 1.286 305 F HN 0.487 nan 8.300 nan 0.000 0.530 306 D N 0.709 121.225 120.400 0.194 0.000 2.964 306 D HA 0.451 5.091 4.640 0.000 0.000 0.234 306 D C -3.019 173.311 176.300 0.051 0.000 1.223 306 D CA -1.931 51.989 54.000 -0.133 0.000 0.889 306 D CB 2.408 42.715 40.800 -0.822 0.000 1.609 306 D HN 0.346 nan 8.370 nan 0.000 0.523 307 P HA 0.254 nan 4.420 nan 0.000 0.280 307 P C -0.392 177.052 177.300 0.240 0.000 1.272 307 P CA -0.583 62.633 63.100 0.193 0.000 0.819 307 P CB 0.752 32.557 31.700 0.175 0.000 1.122 308 W N -0.300 121.115 121.300 0.191 0.000 2.231 308 W HA 0.301 4.961 4.660 0.000 0.000 0.341 308 W C 1.679 178.164 176.519 -0.056 0.000 1.298 308 W CA 2.056 59.424 57.345 0.038 0.000 1.266 308 W CB -0.468 28.992 29.460 -0.001 0.000 1.172 308 W HN 0.781 nan 8.180 nan 0.000 0.568 309 G N 1.768 110.623 108.800 0.091 0.000 2.179 309 G HA2 -0.208 3.752 3.960 0.000 0.000 0.257 309 G HA3 -0.208 3.752 3.960 0.000 0.000 0.257 309 G C 0.483 175.369 174.900 -0.023 0.000 1.010 309 G CA -0.062 45.040 45.100 0.005 0.000 0.736 309 G HN 1.003 nan 8.290 nan 0.000 0.513 310 G N -1.253 107.515 108.800 -0.052 0.000 2.494 310 G HA2 0.568 4.528 3.960 0.000 0.000 0.270 310 G HA3 0.568 4.528 3.960 0.000 0.000 0.270 310 G C 1.355 176.202 174.900 -0.089 0.000 1.423 310 G CA 1.071 46.145 45.100 -0.044 0.000 1.055 310 G HN 1.333 nan 8.290 nan 0.000 0.536 311 V N -2.986 116.872 119.914 -0.094 0.000 3.621 311 V HA 0.585 4.705 4.120 0.000 0.000 0.285 311 V C 0.945 176.981 176.094 -0.097 0.000 1.346 311 V CA 0.471 62.720 62.300 -0.085 0.000 1.104 311 V CB -0.820 30.965 31.823 -0.062 0.000 0.913 311 V HN 2.138 nan 8.190 nan 0.000 0.432 312 G N -0.188 108.523 108.800 -0.149 0.000 2.785 312 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 312 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 312 G C -0.528 174.302 174.900 -0.117 0.000 1.155 312 G CA -0.158 44.873 45.100 -0.114 0.000 0.760 312 G HN 0.144 nan 8.290 nan 0.000 0.624 313 F N 1.670 121.669 119.950 0.082 0.000 2.502 313 F HA 0.174 4.701 4.527 0.000 0.000 0.298 313 F C 2.853 178.664 175.800 0.018 0.000 1.111 313 F CA 1.817 59.833 58.000 0.025 0.000 1.445 313 F CB -0.307 38.707 39.000 0.024 0.000 1.081 313 F HN 0.766 nan 8.300 nan 0.000 0.558 314 A N -0.006 122.921 122.820 0.178 0.000 1.933 314 A HA -0.193 4.127 4.320 0.000 0.000 0.218 314 A C 2.318 179.953 177.584 0.086 0.000 1.175 314 A CA 1.449 53.559 52.037 0.121 0.000 0.628 314 A CB -0.477 18.574 19.000 0.086 0.000 0.814 314 A HN 0.285 nan 8.150 nan 0.000 0.444 315 K N -0.920 119.512 120.400 0.053 0.000 2.148 315 K HA -0.097 4.223 4.320 0.000 0.000 0.204 315 K C 1.961 178.571 176.600 0.018 0.000 1.050 315 K CA 1.229 57.532 56.287 0.025 0.000 0.942 315 K CB -0.360 32.138 32.500 -0.005 0.000 0.724 315 K HN 0.572 nan 8.250 nan 0.000 0.446 316 c N 0.346 118.964 118.600 0.031 0.000 2.440 316 c HA -0.016 4.554 4.570 0.000 0.000 0.278 316 c C 2.795 176.891 174.090 0.011 0.000 1.295 316 c CA 0.717 57.047 56.329 0.001 0.000 1.738 316 c CB -0.686 41.861 42.510 0.062 0.000 1.987 316 c HN 0.510 nan 8.230 nan 0.000 0.492 317 A N 0.423 123.286 122.820 0.072 0.000 1.969 317 A HA 0.138 4.458 4.320 0.000 0.000 0.218 317 A C 2.311 179.946 177.584 0.085 0.000 1.169 317 A CA 1.822 53.910 52.037 0.085 0.000 0.635 317 A CB -0.639 18.428 19.000 0.112 0.000 0.810 317 A HN 0.549 nan 8.150 nan 0.000 0.445 318 A N -0.697 122.167 122.820 0.073 0.000 1.968 318 A HA 0.121 4.441 4.320 0.000 0.000 0.217 318 A C 2.071 179.704 177.584 0.081 0.000 1.169 318 A CA 1.499 53.585 52.037 0.082 0.000 0.638 318 A CB -0.445 18.595 19.000 0.066 0.000 0.812 318 A HN 0.594 nan 8.150 nan 0.000 0.446 319 L N -0.561 120.682 121.223 0.034 0.000 2.023 319 L HA 0.085 4.426 4.340 0.000 0.000 0.205 319 L C 0.671 177.508 176.870 -0.054 0.000 1.073 319 L CA 1.529 56.380 54.840 0.019 0.000 0.745 319 L CB -0.296 41.716 42.059 -0.079 0.000 0.900 319 L HN 0.202 nan 8.230 nan 0.000 0.435 320 L N 2.502 123.605 121.223 -0.198 0.000 2.796 320 L HA 0.196 4.536 4.340 0.000 0.000 0.235 320 L C 0.094 177.027 176.870 0.106 0.000 1.344 320 L CA -0.074 54.539 54.840 -0.377 0.000 1.245 320 L CB -2.340 39.416 42.059 -0.506 0.000 1.556 320 L HN 0.502 nan 8.230 nan 0.000 0.423 321 N N -0.094 118.734 118.700 0.212 0.000 2.443 321 N HA -0.028 4.712 4.740 0.000 0.000 0.294 321 N C 1.275 176.939 175.510 0.257 0.000 1.289 321 N CA 0.098 53.285 53.050 0.229 0.000 0.966 321 N CB -0.066 38.519 38.487 0.163 0.000 1.122 321 N HN 0.407 nan 8.380 nan 0.000 0.569 322 H N -2.307 116.886 119.070 0.206 0.000 2.456 322 H HA 0.061 4.617 4.556 0.000 0.000 0.296 322 H C 1.031 176.481 175.328 0.204 0.000 1.079 322 H CA 1.646 57.796 56.048 0.170 0.000 1.322 322 H CB -0.141 29.707 29.762 0.144 0.000 1.388 322 H HN 0.677 nan 8.280 nan 0.000 0.538 323 E N 0.121 120.157 120.200 -0.274 0.000 2.072 323 E HA -0.111 4.239 4.350 0.000 0.000 0.190 323 E C 1.719 178.574 176.600 0.425 0.000 0.982 323 E CA 0.934 57.364 56.400 0.050 0.000 0.803 323 E CB -0.226 29.449 29.700 -0.042 0.000 0.755 323 E HN 0.527 nan 8.360 nan 0.000 0.453 324 F N 2.670 122.837 119.950 0.362 0.000 2.095 324 F HA -0.192 4.335 4.527 0.000 0.000 0.298 324 F C 1.870 177.680 175.800 0.017 0.000 1.104 324 F CA 1.645 59.760 58.000 0.192 0.000 1.232 324 F CB -0.131 38.836 39.000 -0.055 0.000 0.987 324 F HN -0.095 nan 8.300 nan 0.000 0.475 325 E N 0.726 120.649 120.200 -0.462 0.000 2.031 325 E HA -0.264 4.086 4.350 0.000 0.000 0.193 325 E C 2.369 178.675 176.600 -0.491 0.000 0.994 325 E CA 1.687 57.514 56.400 -0.955 0.000 0.800 325 E CB -0.393 29.070 29.700 -0.395 0.000 0.752 325 E HN 0.562 nan 8.360 nan 0.000 0.447 326 R N 0.894 121.328 120.500 -0.110 0.000 2.096 326 R HA -0.097 4.244 4.340 0.000 0.000 0.235 326 R C 2.196 178.474 176.300 -0.037 0.000 1.127 326 R CA 1.435 57.527 56.100 -0.013 0.000 0.968 326 R CB -0.728 29.625 30.300 0.089 0.000 0.861 326 R HN 0.024 nan 8.270 nan 0.000 0.440 327 V N 0.792 120.717 119.914 0.018 0.000 2.283 327 V HA -0.149 3.971 4.120 0.000 0.000 0.243 327 V C 2.141 178.132 176.094 -0.172 0.000 1.039 327 V CA 1.640 63.939 62.300 -0.002 0.000 1.016 327 V CB -0.572 31.375 31.823 0.206 0.000 0.650 327 V HN 0.135 nan 8.190 nan 0.000 0.449 328 F N -1.319 118.442 119.950 -0.315 0.000 2.234 328 F HA -0.055 4.472 4.527 0.000 0.000 0.296 328 F C 2.319 178.037 175.800 -0.138 0.000 1.089 328 F CA 1.077 58.923 58.000 -0.256 0.000 1.343 328 F CB -0.568 38.211 39.000 -0.369 0.000 1.040 328 F HN 0.126 nan 8.300 nan 0.000 0.498 329 Y N 0.530 120.743 120.300 -0.145 0.000 2.263 329 Y HA -0.079 4.471 4.550 0.000 0.000 0.292 329 Y C 2.145 177.979 175.900 -0.108 0.000 1.130 329 Y CA 0.498 58.505 58.100 -0.154 0.000 1.179 329 Y CB -1.163 37.283 38.460 -0.023 0.000 0.998 329 Y HN 0.052 nan 8.280 nan 0.000 0.532 330 K N -0.043 120.345 120.400 -0.021 0.000 2.217 330 K HA -0.159 4.161 4.320 0.000 0.000 0.202 330 K C 1.829 178.352 176.600 -0.128 0.000 1.051 330 K CA 1.101 57.302 56.287 -0.143 0.000 0.952 330 K CB -0.161 32.210 32.500 -0.214 0.000 0.736 330 K HN 0.152 nan 8.250 nan 0.000 0.453 331 N N 1.580 120.171 118.700 -0.182 0.000 2.166 331 N HA -0.163 4.578 4.740 0.000 0.000 0.186 331 N C 1.161 176.406 175.510 -0.443 0.000 1.019 331 N CA 1.480 54.323 53.050 -0.346 0.000 0.856 331 N CB 0.021 38.314 38.487 -0.323 0.000 0.993 331 N HN 0.079 nan 8.380 nan 0.000 0.426 332 D N -0.688 119.636 120.400 -0.127 0.000 2.144 332 D HA -0.107 4.533 4.640 0.000 0.000 0.200 332 D C 1.391 177.723 176.300 0.053 0.000 0.978 332 D CA 0.737 54.773 54.000 0.061 0.000 0.833 332 D CB -0.346 40.374 40.800 -0.133 0.000 0.961 332 D HN 0.313 nan 8.370 nan 0.000 0.470 333 F N 1.403 121.246 119.950 -0.179 0.000 2.293 333 F HA -0.122 4.405 4.527 0.000 0.000 0.300 333 F C 2.576 178.351 175.800 -0.042 0.000 1.086 333 F CA 0.817 58.765 58.000 -0.086 0.000 1.375 333 F CB -0.547 38.289 39.000 -0.273 0.000 1.045 333 F HN -0.069 nan 8.300 nan 0.000 0.516 334 S N -0.600 115.019 115.700 -0.135 0.000 2.474 334 S HA -0.177 4.293 4.470 0.000 0.000 0.235 334 S C 1.532 175.958 174.600 -0.289 0.000 0.997 334 S CA 0.899 58.930 58.200 -0.281 0.000 0.949 334 S CB -0.942 61.964 63.200 -0.490 0.000 0.766 334 S HN 0.237 nan 8.310 nan 0.000 0.517 335 F N 1.673 121.644 119.950 0.034 0.000 2.727 335 F HA 0.464 4.991 4.527 0.000 0.000 0.302 335 F C 1.899 177.666 175.800 -0.055 0.000 1.097 335 F CA -0.756 57.226 58.000 -0.030 0.000 1.330 335 F CB -0.516 38.494 39.000 0.017 0.000 1.084 335 F HN 0.342 nan 8.300 nan 0.000 0.578 336 G N 1.075 109.940 108.800 0.108 0.000 2.160 336 G HA2 -0.253 3.707 3.960 0.000 0.000 0.244 336 G HA3 -0.253 3.707 3.960 0.000 0.000 0.244 336 G C 0.190 175.092 174.900 0.003 0.000 1.022 336 G CA 0.175 45.239 45.100 -0.060 0.000 0.741 336 G HN 0.300 nan 8.290 nan 0.000 0.508 337 V N 0.151 120.134 119.914 0.115 0.000 2.557 337 V HA 0.409 4.529 4.120 0.000 0.000 0.301 337 V C 1.400 177.345 176.094 -0.250 0.000 1.026 337 V CA 1.626 63.896 62.300 -0.050 0.000 1.137 337 V CB 0.965 32.639 31.823 -0.248 0.000 0.917 337 V HN 1.361 nan 8.190 nan 0.000 0.484 338 A N 6.521 129.218 122.820 -0.206 0.000 2.229 338 A HA 0.391 4.711 4.320 0.000 0.000 0.211 338 A C 0.329 177.829 177.584 -0.139 0.000 1.193 338 A CA 0.018 51.958 52.037 -0.162 0.000 0.879 338 A CB 0.211 19.163 19.000 -0.080 0.000 0.911 338 A HN 0.950 nan 8.150 nan 0.000 0.492 339 F N 0.067 119.821 119.950 -0.326 0.000 2.579 339 F HA 0.632 5.159 4.527 0.000 0.000 0.325 339 F C -1.519 174.055 175.800 -0.378 0.000 1.162 339 F CA -1.525 56.299 58.000 -0.294 0.000 0.946 339 F CB 1.818 40.679 39.000 -0.231 0.000 1.211 339 F HN -0.048 nan 8.300 nan 0.000 0.447 340 L N 6.559 127.271 121.223 -0.851 0.000 2.404 340 L HA 0.552 4.892 4.340 0.000 0.000 0.272 340 L C -1.742 174.775 176.870 -0.589 0.000 0.980 340 L CA -0.353 54.092 54.840 -0.659 0.000 0.836 340 L CB 1.532 43.097 42.059 -0.822 0.000 1.238 340 L HN 0.679 nan 8.230 nan 0.000 0.408 341 N N 4.545 123.074 118.700 -0.284 0.000 2.372 341 N HA 0.566 5.306 4.740 0.000 0.000 0.285 341 N C -1.648 173.930 175.510 0.113 0.000 1.008 341 N CA -0.438 52.571 53.050 -0.068 0.000 0.880 341 N CB 1.331 39.880 38.487 0.103 0.000 1.239 341 N HN 0.646 nan 8.380 nan 0.000 0.484 342 L N 3.330 124.666 121.223 0.188 0.000 2.264 342 L HA 0.334 4.674 4.340 0.000 0.000 0.289 342 L C -0.858 176.171 176.870 0.266 0.000 1.044 342 L CA -0.911 54.090 54.840 0.267 0.000 0.807 342 L CB 0.515 42.764 42.059 0.315 0.000 1.192 342 L HN 0.587 nan 8.230 nan 0.000 0.425 343 Y N 5.257 125.665 120.300 0.180 0.000 2.369 343 Y HA 0.479 5.029 4.550 0.000 0.000 0.337 343 Y C -0.294 175.701 175.900 0.159 0.000 0.961 343 Y CA -0.752 57.427 58.100 0.131 0.000 1.186 343 Y CB 0.751 39.363 38.460 0.254 0.000 1.139 343 Y HN 0.459 nan 8.280 nan 0.000 0.494 344 M N 5.832 125.337 119.600 -0.158 0.000 2.705 344 M HA 0.269 4.749 4.480 0.000 0.000 0.311 344 M C 0.248 176.500 176.300 -0.081 0.000 1.214 344 M CA -0.680 54.333 55.300 -0.479 0.000 0.920 344 M CB 1.649 33.706 32.600 -0.905 0.000 1.687 344 M HN 0.762 nan 8.290 nan 0.000 0.481 345 I N 0.203 120.739 120.570 -0.056 0.000 3.339 345 I HA 0.210 4.380 4.170 0.000 0.000 0.285 345 I C -0.590 175.591 176.117 0.108 0.000 1.201 345 I CA 0.781 62.123 61.300 0.071 0.000 1.434 345 I CB 0.477 38.527 38.000 0.083 0.000 1.152 345 I HN 0.466 nan 8.210 nan 0.000 0.443 346 F N -0.325 119.548 119.950 -0.128 0.000 2.617 346 F HA 0.585 5.112 4.527 0.000 0.000 0.325 346 F C 0.710 176.392 175.800 -0.196 0.000 1.179 346 F CA -0.695 57.235 58.000 -0.117 0.000 0.965 346 F CB 1.226 40.173 39.000 -0.090 0.000 1.232 346 F HN -0.140 nan 8.300 nan 0.000 0.461 347 G N 2.912 111.172 108.800 -0.900 0.000 2.441 347 G HA2 0.397 4.357 3.960 0.000 0.000 0.212 347 G HA3 0.397 4.357 3.960 0.000 0.000 0.212 347 G C 0.821 175.257 174.900 -0.774 0.000 1.164 347 G CA 0.577 45.213 45.100 -0.773 0.000 0.811 347 G HN 1.668 nan 8.290 nan 0.000 0.535 348 G N -1.314 106.780 108.800 -1.175 0.000 2.527 348 G HA2 0.049 4.009 3.960 0.000 0.000 0.227 348 G HA3 0.049 4.009 3.960 0.000 0.000 0.227 348 G C -0.355 174.515 174.900 -0.050 0.000 1.291 348 G CA -0.022 44.742 45.100 -0.559 0.000 0.904 348 G HN 0.939 nan 8.290 nan 0.000 0.577 349 T N 1.034 115.674 114.554 0.144 0.000 2.893 349 T HA 0.547 4.897 4.350 0.000 0.000 0.293 349 T C -0.112 174.710 174.700 0.204 0.000 1.027 349 T CA -0.719 61.513 62.100 0.220 0.000 0.988 349 T CB 1.502 70.571 68.868 0.335 0.000 1.043 349 T HN 0.561 nan 8.240 nan 0.000 0.461 350 N N 3.501 122.271 118.700 0.117 0.000 3.303 350 N HA 0.072 4.812 4.740 0.000 0.000 0.304 350 N C 0.370 175.860 175.510 -0.034 0.000 1.302 350 N CA -0.308 52.742 53.050 -0.001 0.000 1.213 350 N CB 0.202 38.682 38.487 -0.012 0.000 1.481 350 N HN 0.672 nan 8.380 nan 0.000 0.546 351 W N -0.330 120.889 121.300 -0.134 0.000 2.049 351 W HA 0.327 4.987 4.660 0.000 0.000 0.356 351 W C 0.707 177.202 176.519 -0.041 0.000 1.323 351 W CA -0.557 56.615 57.345 -0.288 0.000 1.336 351 W CB -0.132 28.842 29.460 -0.810 0.000 1.176 351 W HN 0.411 nan 8.180 nan 0.000 0.623 352 G N 2.961 111.830 108.800 0.115 0.000 2.390 352 G HA2 -0.404 3.556 3.960 0.000 0.000 0.299 352 G HA3 -0.404 3.556 3.960 0.000 0.000 0.299 352 G C 0.501 175.290 174.900 -0.185 0.000 1.002 352 G CA 0.638 45.731 45.100 -0.013 0.000 0.979 352 G HN 0.811 nan 8.290 nan 0.000 0.513 353 N N -2.595 116.058 118.700 -0.078 0.000 2.708 353 N HA -0.278 4.462 4.740 0.000 0.000 0.251 353 N C 1.523 176.949 175.510 -0.139 0.000 1.123 353 N CA 1.554 54.576 53.050 -0.046 0.000 0.739 353 N CB -1.394 37.095 38.487 0.003 0.000 1.113 353 N HN 1.196 nan 8.380 nan 0.000 0.561 354 L N -2.020 119.038 121.223 -0.275 0.000 2.395 354 L HA 0.297 4.637 4.340 0.000 0.000 0.218 354 L C 1.296 178.045 176.870 -0.201 0.000 1.130 354 L CA 1.371 56.030 54.840 -0.302 0.000 0.826 354 L CB -0.366 41.430 42.059 -0.438 0.000 0.941 354 L HN 0.110 nan 8.230 nan 0.000 0.451 355 G N -0.643 108.092 108.800 -0.108 0.000 2.528 355 G HA2 0.401 4.361 3.960 0.000 0.000 0.289 355 G HA3 0.401 4.361 3.960 0.000 0.000 0.289 355 G C -0.764 174.180 174.900 0.073 0.000 1.192 355 G CA -0.071 45.004 45.100 -0.042 0.000 0.921 355 G HN 0.715 nan 8.290 nan 0.000 0.512 356 H N -1.265 117.758 119.070 -0.078 0.000 2.500 356 H HA 0.432 4.988 4.556 0.000 0.000 0.351 356 H C -1.983 173.383 175.328 0.063 0.000 1.281 356 H CA -1.896 54.127 56.048 -0.042 0.000 1.368 356 H CB 1.722 31.425 29.762 -0.099 0.000 1.616 356 H HN 0.148 nan 8.280 nan 0.000 0.591 357 P HA -0.010 nan 4.420 nan 0.000 0.226 357 P C 1.329 178.551 177.300 -0.129 0.000 1.153 357 P CA 1.503 64.603 63.100 -0.000 0.000 0.777 357 P CB -0.030 31.657 31.700 -0.021 0.000 0.794 358 G N -1.093 107.186 108.800 -0.868 0.000 2.848 358 G HA2 0.278 4.238 3.960 0.000 0.000 0.208 358 G HA3 0.278 4.238 3.960 0.000 0.000 0.208 358 G C 0.623 175.331 174.900 -0.319 0.000 1.152 358 G CA 0.365 45.019 45.100 -0.742 0.000 0.789 358 G HN 0.440 nan 8.290 nan 0.000 0.531 359 G N -1.235 107.482 108.800 -0.138 0.000 2.682 359 G HA2 0.559 4.519 3.960 0.000 0.000 0.290 359 G HA3 0.559 4.519 3.960 0.000 0.000 0.290 359 G C -0.783 174.012 174.900 -0.176 0.000 1.425 359 G CA -0.797 44.287 45.100 -0.027 0.000 0.807 359 G HN 0.136 nan 8.290 nan 0.000 0.482 360 Y N -2.268 117.758 120.300 -0.457 0.000 2.862 360 Y HA 0.693 5.243 4.550 0.000 0.000 0.347 360 Y C 2.013 177.823 175.900 -0.151 0.000 1.234 360 Y CA 0.091 57.721 58.100 -0.784 0.000 1.204 360 Y CB -0.346 37.179 38.460 -1.557 0.000 1.464 360 Y HN 0.401 nan 8.280 nan 0.000 0.710 361 T N -0.620 114.034 114.554 0.168 0.000 2.674 361 T HA -0.133 4.217 4.350 0.000 0.000 0.265 361 T C 0.904 175.726 174.700 0.203 0.000 1.039 361 T CA 1.586 63.845 62.100 0.265 0.000 1.150 361 T CB -0.509 68.661 68.868 0.504 0.000 0.864 361 T HN 0.533 nan 8.240 nan 0.000 0.427 362 S N 0.119 115.947 115.700 0.213 0.000 2.562 362 S HA 0.097 4.567 4.470 0.000 0.000 0.281 362 S C -0.490 174.200 174.600 0.149 0.000 1.333 362 S CA -0.442 57.880 58.200 0.203 0.000 1.052 362 S CB 0.106 63.520 63.200 0.356 0.000 0.884 362 S HN 0.432 nan 8.310 nan 0.000 0.506 363 Y N 3.030 123.228 120.300 -0.171 0.000 2.696 363 Y HA 0.246 4.796 4.550 0.000 0.000 0.255 363 Y C 0.913 176.459 175.900 -0.591 0.000 1.103 363 Y CA -0.877 57.029 58.100 -0.322 0.000 1.126 363 Y CB -0.122 38.246 38.460 -0.153 0.000 1.197 363 Y HN 0.892 nan 8.280 nan 0.000 0.574 364 D N -0.226 119.674 120.400 -0.833 0.000 2.158 364 D HA -0.324 4.316 4.640 0.000 0.000 0.197 364 D C 1.080 176.931 176.300 -0.749 0.000 0.995 364 D CA 2.405 56.011 54.000 -0.658 0.000 0.846 364 D CB -0.098 40.459 40.800 -0.404 0.000 0.941 364 D HN 0.427 nan 8.370 nan 0.000 0.456 365 Y N -1.693 117.623 120.300 -1.640 0.000 4.916 365 Y HA -0.355 4.195 4.550 0.000 0.000 0.247 365 Y C 1.215 176.946 175.900 -0.281 0.000 0.962 365 Y CA 1.665 59.240 58.100 -0.876 0.000 1.933 365 Y CB -1.269 36.748 38.460 -0.739 0.000 1.451 365 Y HN 0.252 nan 8.280 nan 0.000 0.539 366 G N 0.117 108.829 108.800 -0.147 0.000 2.179 366 G HA2 -0.274 3.686 3.960 0.000 0.000 0.257 366 G HA3 -0.274 3.686 3.960 0.000 0.000 0.257 366 G C 0.378 175.328 174.900 0.083 0.000 1.010 366 G CA 0.966 46.090 45.100 0.039 0.000 0.736 366 G HN 1.457 nan 8.290 nan 0.000 0.513 367 S N -0.955 114.797 115.700 0.087 0.000 2.634 367 S HA 0.732 5.202 4.470 0.000 0.000 0.261 367 S C 1.903 176.600 174.600 0.160 0.000 1.271 367 S CA 0.417 58.707 58.200 0.150 0.000 0.985 367 S CB 1.582 64.840 63.200 0.097 0.000 0.968 367 S HN 1.654 nan 8.310 nan 0.000 0.568 368 A N 0.813 123.750 122.820 0.194 0.000 1.908 368 A HA 0.093 4.413 4.320 0.000 0.000 0.218 368 A C 1.010 178.739 177.584 0.242 0.000 1.181 368 A CA 0.970 53.144 52.037 0.227 0.000 0.627 368 A CB -0.925 18.196 19.000 0.201 0.000 0.818 368 A HN 0.790 nan 8.150 nan 0.000 0.445 369 I N 1.169 121.873 120.570 0.222 0.000 2.312 369 I HA 0.185 4.355 4.170 0.000 0.000 0.290 369 I C 0.772 177.042 176.117 0.254 0.000 1.008 369 I CA -0.480 60.940 61.300 0.200 0.000 1.226 369 I CB 1.512 39.636 38.000 0.206 0.000 1.371 369 I HN 0.338 nan 8.210 nan 0.000 0.468 370 S N 4.020 119.841 115.700 0.201 0.000 2.606 370 S HA 0.030 4.500 4.470 0.000 0.000 0.257 370 S C 1.150 175.920 174.600 0.285 0.000 1.327 370 S CA -0.195 58.122 58.200 0.194 0.000 0.984 370 S CB 1.014 64.323 63.200 0.181 0.000 0.941 370 S HN 0.778 nan 8.310 nan 0.000 0.576 371 E N 0.355 120.662 120.200 0.179 0.000 2.160 371 E HA -0.156 4.194 4.350 0.000 0.000 0.195 371 E C 1.545 178.327 176.600 0.303 0.000 0.991 371 E CA 1.396 57.906 56.400 0.183 0.000 0.810 371 E CB -0.289 29.474 29.700 0.106 0.000 0.742 371 E HN 0.813 nan 8.360 nan 0.000 0.466 372 S N -0.496 115.338 115.700 0.224 0.000 2.605 372 S HA 0.175 4.645 4.470 0.000 0.000 0.217 372 S C 0.593 175.268 174.600 0.127 0.000 0.958 372 S CA 0.077 58.351 58.200 0.123 0.000 0.919 372 S CB 0.077 63.322 63.200 0.076 0.000 0.780 372 S HN 0.321 nan 8.310 nan 0.000 0.507 373 R N 0.187 120.797 120.500 0.184 0.000 3.963 373 R HA -0.163 4.177 4.340 0.000 0.000 0.394 373 R C -0.686 175.637 176.300 0.039 0.000 1.131 373 R CA 0.915 57.033 56.100 0.030 0.000 1.059 373 R CB -2.678 27.546 30.300 -0.126 0.000 1.614 373 R HN 0.825 nan 8.270 nan 0.000 0.546 374 N N 1.653 120.422 118.700 0.115 0.000 2.483 374 N HA 0.328 5.068 4.740 0.000 0.000 0.269 374 N C 0.617 176.138 175.510 0.018 0.000 1.209 374 N CA -0.436 52.700 53.050 0.143 0.000 0.969 374 N CB 0.506 39.115 38.487 0.203 0.000 1.173 374 N HN 0.339 nan 8.380 nan 0.000 0.475 375 I N -3.398 117.102 120.570 -0.117 0.000 3.061 375 I HA 0.301 4.471 4.170 0.000 0.000 0.341 375 I C 0.413 176.371 176.117 -0.265 0.000 1.457 375 I CA -0.640 60.403 61.300 -0.428 0.000 0.921 375 I CB 0.125 37.401 38.000 -1.206 0.000 1.845 375 I HN 0.649 nan 8.210 nan 0.000 0.535 376 T N -1.753 112.815 114.554 0.024 0.000 3.014 376 T HA 0.155 4.505 4.350 0.000 0.000 0.263 376 T C 1.130 175.857 174.700 0.046 0.000 1.078 376 T CA 0.165 62.319 62.100 0.090 0.000 1.135 376 T CB -0.196 68.757 68.868 0.141 0.000 0.895 376 T HN 0.431 nan 8.240 nan 0.000 0.480 377 R N 1.909 122.445 120.500 0.060 0.000 2.538 377 R HA 0.101 4.441 4.340 0.000 0.000 0.282 377 R C 1.464 177.789 176.300 0.042 0.000 1.009 377 R CA 0.093 56.240 56.100 0.078 0.000 1.063 377 R CB 0.359 30.729 30.300 0.116 0.000 0.945 377 R HN 0.483 nan 8.270 nan 0.000 0.414 378 E N 3.532 123.737 120.200 0.009 0.000 2.209 378 E HA -0.268 4.082 4.350 0.000 0.000 0.196 378 E C 1.262 177.803 176.600 -0.099 0.000 0.993 378 E CA 1.703 58.019 56.400 -0.139 0.000 0.819 378 E CB 0.203 29.797 29.700 -0.178 0.000 0.745 378 E HN 0.543 nan 8.360 nan 0.000 0.477 379 K N -0.468 119.991 120.400 0.098 0.000 2.211 379 K HA -0.239 4.081 4.320 0.000 0.000 0.204 379 K C 2.036 178.676 176.600 0.066 0.000 1.047 379 K CA 1.473 57.850 56.287 0.150 0.000 0.935 379 K CB -0.521 32.107 32.500 0.214 0.000 0.728 379 K HN 0.217 nan 8.250 nan 0.000 0.452 380 Y N 2.460 122.720 120.300 -0.067 0.000 2.163 380 Y HA -0.144 4.406 4.550 0.000 0.000 0.288 380 Y C 2.229 178.003 175.900 -0.209 0.000 1.136 380 Y CA 1.845 59.877 58.100 -0.113 0.000 1.147 380 Y CB -0.175 38.215 38.460 -0.116 0.000 0.987 380 Y HN 0.077 nan 8.280 nan 0.000 0.509 381 S N -0.008 115.591 115.700 -0.167 0.000 2.382 381 S HA -0.200 4.270 4.470 0.000 0.000 0.228 381 S C 1.820 176.167 174.600 -0.422 0.000 1.027 381 S CA 1.410 59.344 58.200 -0.444 0.000 0.991 381 S CB -0.377 62.281 63.200 -0.903 0.000 0.823 381 S HN 0.564 nan 8.310 nan 0.000 0.469 382 E N 1.755 121.755 120.200 -0.333 0.000 2.077 382 E HA -0.109 4.241 4.350 0.000 0.000 0.193 382 E C 1.896 178.510 176.600 0.024 0.000 0.989 382 E CA 0.807 57.223 56.400 0.027 0.000 0.800 382 E CB -0.587 29.209 29.700 0.160 0.000 0.746 382 E HN 0.331 nan 8.360 nan 0.000 0.452 383 L N 1.161 122.358 121.223 -0.043 0.000 2.083 383 L HA -0.085 4.255 4.340 0.000 0.000 0.209 383 L C 2.274 179.071 176.870 -0.121 0.000 1.083 383 L CA 2.118 56.951 54.840 -0.013 0.000 0.752 383 L CB -0.683 41.331 42.059 -0.075 0.000 0.899 383 L HN 0.182 nan 8.230 nan 0.000 0.433 384 K N -0.716 119.518 120.400 -0.276 0.000 2.147 384 K HA -0.167 4.154 4.320 0.000 0.000 0.205 384 K C 2.015 178.635 176.600 0.032 0.000 1.049 384 K CA 1.544 57.693 56.287 -0.230 0.000 0.936 384 K CB -0.166 32.127 32.500 -0.345 0.000 0.722 384 K HN 0.444 nan 8.250 nan 0.000 0.446 385 L N 0.554 121.830 121.223 0.087 0.000 2.046 385 L HA -0.186 4.154 4.340 0.000 0.000 0.208 385 L C 2.486 179.496 176.870 0.233 0.000 1.077 385 L CA 0.584 55.568 54.840 0.240 0.000 0.747 385 L CB -0.502 41.580 42.059 0.039 0.000 0.896 385 L HN 0.240 nan 8.230 nan 0.000 0.432 386 L N 0.322 121.639 121.223 0.157 0.000 2.109 386 L HA 0.018 4.358 4.340 0.000 0.000 0.207 386 L C 2.370 179.387 176.870 0.244 0.000 1.086 386 L CA 1.878 56.805 54.840 0.145 0.000 0.760 386 L CB -1.003 41.121 42.059 0.109 0.000 0.910 386 L HN 0.106 nan 8.230 nan 0.000 0.437 387 G N -0.596 108.290 108.800 0.144 0.000 2.418 387 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 387 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 387 G C 1.482 176.434 174.900 0.087 0.000 1.158 387 G CA 0.802 45.948 45.100 0.076 0.000 0.771 387 G HN 0.469 nan 8.290 nan 0.000 0.545 388 N N -0.167 118.528 118.700 -0.008 0.000 2.331 388 N HA -0.056 4.684 4.740 0.000 0.000 0.180 388 N C 1.857 177.285 175.510 -0.137 0.000 1.019 388 N CA 0.727 53.660 53.050 -0.194 0.000 0.881 388 N CB -0.148 37.981 38.487 -0.598 0.000 0.972 388 N HN 0.406 nan 8.380 nan 0.000 0.435 389 F N 2.194 122.089 119.950 -0.091 0.000 2.075 389 F HA -0.071 4.456 4.527 0.000 0.000 0.297 389 F C 2.318 178.142 175.800 0.040 0.000 1.113 389 F CA 1.448 59.442 58.000 -0.010 0.000 1.218 389 F CB -0.483 38.510 39.000 -0.013 0.000 0.984 389 F HN -0.050 nan 8.300 nan 0.000 0.472 390 A N 0.468 123.261 122.820 -0.044 0.000 1.940 390 A HA -0.255 4.065 4.320 0.000 0.000 0.219 390 A C 2.320 179.839 177.584 -0.108 0.000 1.176 390 A CA 1.921 53.910 52.037 -0.080 0.000 0.631 390 A CB -0.977 18.242 19.000 0.364 0.000 0.814 390 A HN 0.533 nan 8.150 nan 0.000 0.446 391 K N -0.055 120.306 120.400 -0.066 0.000 2.209 391 K HA -0.089 4.231 4.320 0.000 0.000 0.204 391 K C 1.132 177.629 176.600 -0.171 0.000 1.048 391 K CA 1.619 57.852 56.287 -0.090 0.000 0.940 391 K CB -0.143 32.304 32.500 -0.089 0.000 0.729 391 K HN 0.506 nan 8.250 nan 0.000 0.451 392 V N -2.374 117.403 119.914 -0.229 0.000 3.214 392 V HA 0.299 4.419 4.120 0.000 0.000 0.330 392 V C -0.297 175.810 176.094 0.020 0.000 1.403 392 V CA -0.490 61.650 62.300 -0.267 0.000 1.143 392 V CB 0.963 32.424 31.823 -0.603 0.000 1.098 392 V HN 0.008 nan 8.190 nan 0.000 0.463 393 S N 3.221 118.870 115.700 -0.086 0.000 2.080 393 S HA 0.407 4.877 4.470 0.000 0.000 0.162 393 S C -1.449 173.141 174.600 -0.017 0.000 1.618 393 S CA -0.570 57.612 58.200 -0.029 0.000 1.200 393 S CB 1.163 64.165 63.200 -0.330 0.000 1.135 393 S HN 0.512 nan 8.310 nan 0.000 0.455 394 P HA -0.080 nan 4.420 nan 0.000 0.220 394 P C 1.635 178.931 177.300 -0.006 0.000 1.148 394 P CA 0.903 63.993 63.100 -0.016 0.000 0.803 394 P CB -0.068 31.623 31.700 -0.016 0.000 0.782 395 G N -0.492 108.346 108.800 0.064 0.000 2.448 395 G HA2 -0.306 3.654 3.960 0.000 0.000 0.219 395 G HA3 -0.306 3.654 3.960 0.000 0.000 0.219 395 G C 1.572 176.573 174.900 0.169 0.000 1.127 395 G CA 0.539 45.735 45.100 0.160 0.000 0.766 395 G HN 0.248 nan 8.290 nan 0.000 0.552 396 Y N 1.139 121.317 120.300 -0.203 0.000 2.181 396 Y HA -0.038 4.512 4.550 0.000 0.000 0.288 396 Y C 2.417 178.157 175.900 -0.267 0.000 1.146 396 Y CA 1.260 58.999 58.100 -0.602 0.000 1.164 396 Y CB -0.271 37.769 38.460 -0.701 0.000 0.982 396 Y HN 0.121 nan 8.280 nan 0.000 0.515 397 L N -0.063 120.907 121.223 -0.422 0.000 2.131 397 L HA -0.140 4.200 4.340 0.000 0.000 0.210 397 L C 2.155 178.812 176.870 -0.356 0.000 1.092 397 L CA 1.386 55.961 54.840 -0.441 0.000 0.759 397 L CB -0.569 41.351 42.059 -0.231 0.000 0.903 397 L HN 0.370 nan 8.230 nan 0.000 0.435 398 V N -3.724 115.991 119.914 -0.331 0.000 3.647 398 V HA 0.384 4.504 4.120 0.000 0.000 0.279 398 V C 1.000 176.869 176.094 -0.374 0.000 1.314 398 V CA -0.143 61.854 62.300 -0.505 0.000 1.125 398 V CB -0.844 30.769 31.823 -0.351 0.000 0.907 398 V HN 0.162 nan 8.190 nan 0.000 0.434 399 A N 1.554 124.248 122.820 -0.210 0.000 2.340 399 A HA 0.523 4.843 4.320 0.000 0.000 0.268 399 A C 0.150 177.703 177.584 -0.051 0.000 1.100 399 A CA -0.453 51.543 52.037 -0.068 0.000 0.803 399 A CB 0.035 19.071 19.000 0.060 0.000 1.043 399 A HN 0.511 nan 8.150 nan 0.000 0.488 400 N N 2.226 120.932 118.700 0.010 0.000 2.439 400 N HA 0.341 5.081 4.740 0.000 0.000 0.249 400 N C -2.881 172.603 175.510 -0.043 0.000 1.003 400 N CA -1.113 51.964 53.050 0.046 0.000 0.942 400 N CB 1.157 39.704 38.487 0.099 0.000 1.115 400 N HN 0.300 nan 8.380 nan 0.000 0.505 401 P HA 0.103 nan 4.420 nan 0.000 0.268 401 P C 0.320 177.458 177.300 -0.269 0.000 1.204 401 P CA -0.029 62.889 63.100 -0.303 0.000 0.768 401 P CB 0.795 32.147 31.700 -0.581 0.000 0.842 402 G N 1.570 110.300 108.800 -0.117 0.000 3.075 402 G HA2 0.355 4.315 3.960 0.000 0.000 0.253 402 G HA3 0.355 4.315 3.960 0.000 0.000 0.253 402 G C -1.125 173.844 174.900 0.114 0.000 1.353 402 G CA -0.538 44.590 45.100 0.045 0.000 1.051 402 G HN 0.308 nan 8.290 nan 0.000 0.553 403 D N 0.494 120.998 120.400 0.173 0.000 2.255 403 D HA 0.375 5.015 4.640 0.000 0.000 0.249 403 D C 0.584 176.994 176.300 0.183 0.000 1.078 403 D CA -0.230 53.882 54.000 0.187 0.000 0.896 403 D CB 1.869 42.771 40.800 0.171 0.000 1.194 403 D HN 0.349 nan 8.370 nan 0.000 0.429 404 L N -0.122 121.197 121.223 0.161 0.000 2.473 404 L HA 0.479 4.819 4.340 0.000 0.000 0.268 404 L C 0.273 177.242 176.870 0.164 0.000 1.215 404 L CA 0.171 55.100 54.840 0.148 0.000 0.823 404 L CB 0.424 42.546 42.059 0.104 0.000 1.099 404 L HN 0.199 nan 8.230 nan 0.000 0.483 405 S N -0.982 114.828 115.700 0.184 0.000 2.537 405 S HA 0.614 5.085 4.470 0.000 0.000 0.270 405 S C 0.296 174.962 174.600 0.111 0.000 1.142 405 S CA 0.014 58.298 58.200 0.139 0.000 0.870 405 S CB 1.495 64.771 63.200 0.126 0.000 1.112 405 S HN 1.049 nan 8.310 nan 0.000 0.466 406 T N -0.276 114.314 114.554 0.061 0.000 3.054 406 T HA 0.238 4.588 4.350 0.000 0.000 0.255 406 T C 1.136 175.847 174.700 0.018 0.000 1.035 406 T CA 0.658 62.783 62.100 0.042 0.000 0.941 406 T CB -0.082 68.808 68.868 0.036 0.000 1.026 406 T HN 0.653 nan 8.240 nan 0.000 0.533 407 S N -0.319 115.377 115.700 -0.005 0.000 2.727 407 S HA 0.099 4.569 4.470 0.000 0.000 0.249 407 S C 1.755 176.292 174.600 -0.104 0.000 1.079 407 S CA 0.204 58.382 58.200 -0.037 0.000 0.912 407 S CB -0.374 62.806 63.200 -0.033 0.000 0.861 407 S HN 0.275 nan 8.310 nan 0.000 0.484 408 T N 1.331 115.761 114.554 -0.208 0.000 2.821 408 T HA 0.074 4.424 4.350 0.000 0.000 0.267 408 T C 0.698 175.045 174.700 -0.589 0.000 1.046 408 T CA 1.373 63.189 62.100 -0.473 0.000 1.139 408 T CB -0.370 68.026 68.868 -0.788 0.000 0.871 408 T HN 0.571 nan 8.240 nan 0.000 0.454 409 Y N 1.321 121.632 120.300 0.018 0.000 2.444 409 Y HA 0.334 4.884 4.550 0.000 0.000 0.249 409 Y C 1.327 177.219 175.900 -0.013 0.000 1.134 409 Y CA -0.615 57.476 58.100 -0.015 0.000 1.261 409 Y CB 0.219 38.691 38.460 0.020 0.000 1.143 409 Y HN 0.203 nan 8.280 nan 0.000 0.523 410 T N -2.785 111.828 114.554 0.098 0.000 2.787 410 T HA 0.221 4.571 4.350 0.000 0.000 0.297 410 T C 0.158 174.892 174.700 0.056 0.000 1.221 410 T CA -0.849 61.315 62.100 0.107 0.000 1.006 410 T CB 1.332 70.264 68.868 0.106 0.000 1.328 410 T HN 0.093 nan 8.240 nan 0.000 0.509 411 N N -0.032 118.712 118.700 0.074 0.000 2.314 411 N HA 0.180 4.920 4.740 0.000 0.000 0.200 411 N C -0.066 175.468 175.510 0.039 0.000 1.135 411 N CA -0.230 52.844 53.050 0.039 0.000 0.835 411 N CB 0.334 38.839 38.487 0.030 0.000 0.989 411 N HN 0.741 nan 8.380 nan 0.000 0.478 412 T N -1.642 112.937 114.554 0.042 0.000 2.971 412 T HA 0.592 4.942 4.350 0.000 0.000 0.304 412 T C 0.196 174.904 174.700 0.013 0.000 1.038 412 T CA -0.347 61.770 62.100 0.029 0.000 1.007 412 T CB 1.258 70.152 68.868 0.044 0.000 1.055 412 T HN 0.095 nan 8.240 nan 0.000 0.451 413 A N 2.949 125.778 122.820 0.015 0.000 2.209 413 A HA 0.117 4.437 4.320 0.000 0.000 0.212 413 A C 1.617 179.213 177.584 0.020 0.000 1.158 413 A CA 0.933 52.980 52.037 0.017 0.000 0.742 413 A CB -0.298 18.713 19.000 0.019 0.000 0.790 413 A HN 0.864 nan 8.150 nan 0.000 0.472 414 D N -0.303 120.110 120.400 0.021 0.000 2.348 414 D HA 0.071 4.711 4.640 0.000 0.000 0.216 414 D C 0.356 176.669 176.300 0.022 0.000 0.970 414 D CA 0.689 54.713 54.000 0.039 0.000 0.889 414 D CB 0.111 40.945 40.800 0.057 0.000 0.912 414 D HN 0.395 nan 8.370 nan 0.000 0.524 415 L N -0.196 121.003 121.223 -0.041 0.000 2.342 415 L HA 0.375 4.715 4.340 0.000 0.000 0.271 415 L C 0.024 176.857 176.870 -0.062 0.000 1.008 415 L CA -0.453 54.314 54.840 -0.122 0.000 0.818 415 L CB 2.425 44.305 42.059 -0.298 0.000 1.296 415 L HN -0.358 nan 8.230 nan 0.000 0.427 416 T N 1.623 116.142 114.554 -0.058 0.000 2.829 416 T HA 0.611 4.961 4.350 0.000 0.000 0.280 416 T C -0.621 174.079 174.700 0.000 0.000 0.999 416 T CA -0.398 61.704 62.100 0.002 0.000 0.983 416 T CB 2.151 71.031 68.868 0.019 0.000 0.968 416 T HN 0.190 nan 8.240 nan 0.000 0.446 417 V N 3.049 123.016 119.914 0.088 0.000 2.588 417 V HA 0.548 4.668 4.120 0.000 0.000 0.304 417 V C -0.127 176.041 176.094 0.123 0.000 1.042 417 V CA -0.762 61.602 62.300 0.108 0.000 0.877 417 V CB 2.270 34.222 31.823 0.215 0.000 0.996 417 V HN 0.971 nan 8.190 nan 0.000 0.425 418 T N 7.246 121.810 114.554 0.016 0.000 2.770 418 T HA 0.481 4.831 4.350 0.000 0.000 0.283 418 T C -2.731 171.905 174.700 -0.108 0.000 0.988 418 T CA -1.118 60.974 62.100 -0.014 0.000 0.957 418 T CB 1.948 70.766 68.868 -0.083 0.000 0.930 418 T HN 0.500 nan 8.240 nan 0.000 0.443 419 P HA 0.486 nan 4.420 nan 0.000 0.286 419 P C -1.161 175.979 177.300 -0.265 0.000 1.261 419 P CA -0.725 62.157 63.100 -0.364 0.000 0.821 419 P CB 1.327 32.866 31.700 -0.267 0.000 1.013 420 L N 3.431 124.440 121.223 -0.356 0.000 2.417 420 L HA 0.406 4.746 4.340 0.000 0.000 0.259 420 L C 0.105 176.885 176.870 -0.151 0.000 1.023 420 L CA -0.482 54.272 54.840 -0.143 0.000 0.901 420 L CB 0.932 43.004 42.059 0.022 0.000 1.227 420 L HN 0.195 nan 8.230 nan 0.000 0.454 421 L N 2.021 123.186 121.223 -0.097 0.000 2.334 421 L HA 0.550 4.890 4.340 0.000 0.000 0.277 421 L C 1.140 178.023 176.870 0.021 0.000 1.075 421 L CA -0.449 54.368 54.840 -0.038 0.000 0.804 421 L CB 1.152 43.227 42.059 0.027 0.000 1.174 421 L HN 0.540 nan 8.230 nan 0.000 0.438 422 G N 0.446 109.267 108.800 0.036 0.000 2.594 422 G HA2 0.141 4.101 3.960 0.000 0.000 0.243 422 G HA3 0.141 4.101 3.960 0.000 0.000 0.243 422 G C 1.027 175.948 174.900 0.035 0.000 1.229 422 G CA 0.121 45.245 45.100 0.039 0.000 0.843 422 G HN 0.822 nan 8.290 nan 0.000 0.578 423 S N 0.524 116.235 115.700 0.019 0.000 2.383 423 S HA -0.121 4.349 4.470 0.000 0.000 0.229 423 S C 0.972 175.593 174.600 0.036 0.000 1.030 423 S CA 1.317 59.533 58.200 0.027 0.000 1.002 423 S CB -0.477 62.729 63.200 0.010 0.000 0.829 423 S HN 0.900 nan 8.310 nan 0.000 0.467 424 N N 0.218 118.938 118.700 0.032 0.000 2.831 424 N HA 0.409 5.149 4.740 0.000 0.000 0.276 424 N C 0.665 176.200 175.510 0.041 0.000 1.416 424 N CA -0.226 52.845 53.050 0.036 0.000 0.799 424 N CB 0.738 39.241 38.487 0.027 0.000 1.554 424 N HN 0.049 nan 8.380 nan 0.000 0.541 425 S N -0.968 114.757 115.700 0.041 0.000 2.419 425 S HA -0.210 4.260 4.470 0.000 0.000 0.235 425 S C 1.334 175.960 174.600 0.042 0.000 1.019 425 S CA 1.477 59.705 58.200 0.047 0.000 0.982 425 S CB -1.006 62.219 63.200 0.042 0.000 0.789 425 S HN 0.757 nan 8.310 nan 0.000 0.490 426 S N 1.000 116.718 115.700 0.030 0.000 2.535 426 S HA 0.610 5.080 4.470 0.000 0.000 0.214 426 S C 0.706 175.314 174.600 0.013 0.000 0.980 426 S CA -0.095 58.117 58.200 0.021 0.000 0.907 426 S CB -0.309 62.898 63.200 0.011 0.000 0.790 426 S HN 0.757 nan 8.310 nan 0.000 0.510 427 A N 2.593 125.424 122.820 0.017 0.000 2.407 427 A HA 0.598 4.918 4.320 0.000 0.000 0.248 427 A C 0.700 178.291 177.584 0.011 0.000 1.082 427 A CA -0.183 51.860 52.037 0.011 0.000 0.785 427 A CB 0.091 19.100 19.000 0.016 0.000 1.020 427 A HN 0.725 nan 8.150 nan 0.000 0.489 428 S N 1.747 117.446 115.700 -0.003 0.000 2.562 428 S HA 0.468 4.938 4.470 0.000 0.000 0.281 428 S C 0.204 174.761 174.600 -0.072 0.000 1.333 428 S CA -0.097 58.066 58.200 -0.062 0.000 1.052 428 S CB 0.511 63.664 63.200 -0.078 0.000 0.884 428 S HN 0.724 nan 8.310 nan 0.000 0.506 429 S N 1.110 116.667 115.700 -0.238 0.000 2.599 429 S HA 0.812 5.282 4.470 0.000 0.000 0.294 429 S C -1.332 172.910 174.600 -0.597 0.000 1.094 429 S CA -0.633 57.429 58.200 -0.230 0.000 0.931 429 S CB 0.701 63.846 63.200 -0.092 0.000 1.093 429 S HN 0.633 nan 8.310 nan 0.000 0.488 430 F N 1.084 120.839 119.950 -0.325 0.000 2.565 430 F HA 0.645 5.172 4.527 0.000 0.000 0.313 430 F C -1.055 174.351 175.800 -0.656 0.000 1.091 430 F CA -0.900 56.989 58.000 -0.184 0.000 0.915 430 F CB 1.234 40.297 39.000 0.105 0.000 1.208 430 F HN 0.389 nan 8.300 nan 0.000 0.453 431 F N 2.044 122.069 119.950 0.125 0.000 2.496 431 F HA 0.530 5.057 4.527 0.000 0.000 0.341 431 F C -0.539 175.223 175.800 -0.065 0.000 1.134 431 F CA -1.157 56.826 58.000 -0.027 0.000 0.968 431 F CB 1.555 40.510 39.000 -0.075 0.000 1.205 431 F HN 0.033 nan 8.300 nan 0.000 0.436 432 V N 5.447 125.359 119.914 -0.004 0.000 2.408 432 V HA 0.292 4.412 4.120 0.000 0.000 0.267 432 V C 0.142 176.173 176.094 -0.105 0.000 1.047 432 V CA -0.431 61.809 62.300 -0.099 0.000 0.937 432 V CB 1.131 32.874 31.823 -0.133 0.000 0.999 432 V HN 0.696 nan 8.190 nan 0.000 0.472 433 I N 6.681 127.147 120.570 -0.172 0.000 2.493 433 I HA 0.796 4.967 4.170 0.000 0.000 0.298 433 I C 0.022 176.017 176.117 -0.203 0.000 0.998 433 I CA -0.554 60.641 61.300 -0.174 0.000 1.137 433 I CB 1.207 39.087 38.000 -0.200 0.000 1.310 433 I HN 0.873 nan 8.210 nan 0.000 0.445 434 R N 4.456 124.840 120.500 -0.193 0.000 2.747 434 R HA 0.465 4.805 4.340 0.000 0.000 0.272 434 R C -1.324 174.859 176.300 -0.196 0.000 1.032 434 R CA -0.973 55.025 56.100 -0.171 0.000 0.896 434 R CB 0.786 31.044 30.300 -0.071 0.000 1.253 434 R HN 0.472 nan 8.270 nan 0.000 0.461 435 H N 0.397 119.453 119.070 -0.024 0.000 2.732 435 H HA 0.109 4.665 4.556 0.000 0.000 0.351 435 H C 0.487 175.825 175.328 0.017 0.000 1.090 435 H CA 0.433 56.471 56.048 -0.016 0.000 1.431 435 H CB 1.762 31.522 29.762 -0.004 0.000 1.447 435 H HN 0.633 nan 8.280 nan 0.000 0.582 436 S N 1.062 116.833 115.700 0.119 0.000 2.383 436 S HA -0.154 4.316 4.470 0.000 0.000 0.229 436 S C 0.795 175.476 174.600 0.135 0.000 1.030 436 S CA 1.186 59.444 58.200 0.097 0.000 1.002 436 S CB -0.026 63.216 63.200 0.071 0.000 0.829 436 S HN 0.618 nan 8.310 nan 0.000 0.467 437 D N 0.496 120.980 120.400 0.140 0.000 2.428 437 D HA 0.134 4.774 4.640 0.000 0.000 0.221 437 D C 0.857 177.243 176.300 0.143 0.000 1.123 437 D CA -0.861 53.217 54.000 0.129 0.000 0.869 437 D CB 0.266 41.096 40.800 0.050 0.000 1.032 437 D HN 0.368 nan 8.370 nan 0.000 0.506 438 Y N 2.632 123.003 120.300 0.117 0.000 2.365 438 Y HA -0.215 4.335 4.550 0.000 0.000 0.287 438 Y C 1.704 177.790 175.900 0.310 0.000 1.162 438 Y CA 1.578 59.772 58.100 0.157 0.000 1.260 438 Y CB -0.767 37.713 38.460 0.033 0.000 0.976 438 Y HN 0.281 nan 8.280 nan 0.000 0.548 439 S N -0.707 114.657 115.700 -0.561 0.000 2.558 439 S HA 0.070 4.540 4.470 0.000 0.000 0.217 439 S C 1.017 175.432 174.600 -0.308 0.000 0.975 439 S CA 0.003 57.956 58.200 -0.411 0.000 0.912 439 S CB -0.693 62.255 63.200 -0.421 0.000 0.776 439 S HN 0.430 nan 8.310 nan 0.000 0.526 440 S N 1.459 117.010 115.700 -0.249 0.000 2.563 440 S HA 0.055 4.526 4.470 0.000 0.000 0.294 440 S C 0.852 175.181 174.600 -0.452 0.000 1.279 440 S CA -0.217 57.779 58.200 -0.340 0.000 1.069 440 S CB 0.331 63.294 63.200 -0.395 0.000 0.828 440 S HN 0.491 nan 8.310 nan 0.000 0.497 441 Q N 2.237 121.823 119.800 -0.357 0.000 2.247 441 Q HA 0.268 4.608 4.340 0.000 0.000 0.204 441 Q C 0.585 176.438 176.000 -0.246 0.000 0.872 441 Q CA -0.020 55.607 55.803 -0.294 0.000 0.951 441 Q CB 0.505 29.104 28.738 -0.231 0.000 1.099 441 Q HN 0.767 nan 8.270 nan 0.000 0.501 442 A N 0.997 123.631 122.820 -0.309 0.000 2.366 442 A HA 0.326 4.646 4.320 0.000 0.000 0.249 442 A C 0.070 177.605 177.584 -0.081 0.000 1.084 442 A CA -0.094 51.837 52.037 -0.177 0.000 0.794 442 A CB 0.703 19.620 19.000 -0.138 0.000 1.034 442 A HN 0.070 nan 8.150 nan 0.000 0.491 443 S N 0.349 116.064 115.700 0.025 0.000 2.433 443 S HA 0.548 5.018 4.470 0.000 0.000 0.310 443 S C -0.822 173.856 174.600 0.130 0.000 1.097 443 S CA -0.503 57.760 58.200 0.105 0.000 1.103 443 S CB 0.211 63.445 63.200 0.057 0.000 0.992 443 S HN 0.690 nan 8.310 nan 0.000 0.469 444 V N 5.580 125.614 119.914 0.199 0.000 2.540 444 V HA 0.467 4.587 4.120 0.000 0.000 0.302 444 V C -0.083 176.131 176.094 0.200 0.000 1.035 444 V CA -0.815 61.584 62.300 0.165 0.000 0.873 444 V CB 1.775 33.694 31.823 0.160 0.000 0.992 444 V HN 0.860 nan 8.190 nan 0.000 0.428 445 E N 3.692 123.985 120.200 0.156 0.000 2.277 445 E HA 0.632 4.982 4.350 0.000 0.000 0.274 445 E C -1.380 175.360 176.600 0.233 0.000 1.022 445 E CA -0.334 56.151 56.400 0.143 0.000 0.853 445 E CB 1.904 31.619 29.700 0.026 0.000 1.086 445 E HN 0.699 nan 8.360 nan 0.000 0.397 446 Y N -0.999 119.280 120.300 -0.035 0.000 2.764 446 Y HA 0.542 5.092 4.550 0.000 0.000 0.331 446 Y C -1.505 174.365 175.900 -0.051 0.000 1.280 446 Y CA -1.405 56.675 58.100 -0.034 0.000 1.065 446 Y CB 1.064 39.511 38.460 -0.021 0.000 1.319 446 Y HN 0.165 nan 8.280 nan 0.000 0.453 447 K N 1.388 121.791 120.400 0.004 0.000 2.378 447 K HA 0.577 4.897 4.320 0.000 0.000 0.252 447 K C -1.963 174.658 176.600 0.033 0.000 0.931 447 K CA -0.977 55.242 56.287 -0.112 0.000 0.794 447 K CB 2.877 35.328 32.500 -0.081 0.000 1.181 447 K HN 0.668 nan 8.250 nan 0.000 0.425 448 L N 2.616 123.798 121.223 -0.070 0.000 2.276 448 L HA 0.299 4.639 4.340 0.000 0.000 0.286 448 L C -0.414 176.389 176.870 -0.111 0.000 1.061 448 L CA 0.283 55.106 54.840 -0.028 0.000 0.807 448 L CB 1.132 43.108 42.059 -0.139 0.000 1.177 448 L HN 0.700 nan 8.230 nan 0.000 0.429 449 T N 3.474 117.994 114.554 -0.056 0.000 2.947 449 T HA 0.649 4.999 4.350 0.000 0.000 0.337 449 T C -0.380 174.283 174.700 -0.061 0.000 1.139 449 T CA -0.525 61.529 62.100 -0.078 0.000 0.992 449 T CB 0.359 69.195 68.868 -0.052 0.000 1.043 449 T HN 0.541 nan 8.240 nan 0.000 0.498 450 V N 0.210 120.023 119.914 -0.168 0.000 2.914 450 V HA 0.898 5.018 4.120 0.000 0.000 0.314 450 V C -2.942 173.091 176.094 -0.101 0.000 1.084 450 V CA -3.113 59.049 62.300 -0.230 0.000 0.963 450 V CB 2.219 33.565 31.823 -0.795 0.000 1.025 450 V HN 0.564 nan 8.190 nan 0.000 0.432 451 P HA 0.468 nan 4.420 nan 0.000 0.284 451 P C -0.490 176.879 177.300 0.115 0.000 1.253 451 P CA 0.268 63.430 63.100 0.103 0.000 0.800 451 P CB 1.573 33.385 31.700 0.188 0.000 0.961 452 T N -2.537 112.070 114.554 0.088 0.000 2.754 452 T HA 0.283 4.633 4.350 0.000 0.000 0.296 452 T C 1.228 175.976 174.700 0.081 0.000 1.205 452 T CA -0.143 62.017 62.100 0.099 0.000 1.009 452 T CB 0.495 69.424 68.868 0.103 0.000 1.368 452 T HN 0.259 nan 8.240 nan 0.000 0.509 453 S N -0.053 115.692 115.700 0.075 0.000 2.469 453 S HA 0.063 4.533 4.470 0.000 0.000 0.238 453 S C 1.822 176.453 174.600 0.050 0.000 0.998 453 S CA 0.601 58.835 58.200 0.056 0.000 0.957 453 S CB -0.792 62.435 63.200 0.045 0.000 0.764 453 S HN 1.205 nan 8.310 nan 0.000 0.514 454 A N 0.735 123.590 122.820 0.059 0.000 2.345 454 A HA 0.652 4.972 4.320 0.000 0.000 0.225 454 A C 1.172 178.780 177.584 0.042 0.000 1.243 454 A CA 0.177 52.244 52.037 0.051 0.000 0.875 454 A CB -0.749 18.290 19.000 0.065 0.000 0.929 454 A HN 1.474 nan 8.150 nan 0.000 0.502 455 G N -0.175 108.650 108.800 0.042 0.000 2.566 455 G HA2 -0.121 3.839 3.960 0.000 0.000 0.599 455 G HA3 -0.121 3.839 3.960 0.000 0.000 0.599 455 G C -1.018 173.896 174.900 0.023 0.000 1.292 455 G CA -0.673 44.446 45.100 0.032 0.000 0.922 455 G HN 0.304 nan 8.290 nan 0.000 0.514 456 N N 0.396 119.103 118.700 0.012 0.000 2.442 456 N HA 0.497 5.237 4.740 0.000 0.000 0.265 456 N C 0.282 175.770 175.510 -0.037 0.000 1.138 456 N CA 0.187 53.231 53.050 -0.008 0.000 0.956 456 N CB 0.679 39.163 38.487 -0.006 0.000 1.067 456 N HN 0.565 nan 8.380 nan 0.000 0.474 457 L N 0.929 122.105 121.223 -0.079 0.000 2.330 457 L HA 0.522 4.862 4.340 0.000 0.000 0.271 457 L C 0.319 177.093 176.870 -0.161 0.000 1.013 457 L CA -0.786 53.981 54.840 -0.122 0.000 0.816 457 L CB 1.787 43.738 42.059 -0.181 0.000 1.287 457 L HN 0.254 nan 8.230 nan 0.000 0.435 458 T N 2.881 117.344 114.554 -0.151 0.000 2.809 458 T HA 0.597 4.947 4.350 0.000 0.000 0.296 458 T C -0.245 174.340 174.700 -0.191 0.000 1.015 458 T CA -0.211 61.801 62.100 -0.147 0.000 0.954 458 T CB 0.511 69.322 68.868 -0.095 0.000 0.950 458 T HN 0.243 nan 8.240 nan 0.000 0.450 459 I N 5.002 125.419 120.570 -0.256 0.000 2.412 459 I HA 0.385 4.555 4.170 0.000 0.000 0.296 459 I C -2.349 173.632 176.117 -0.226 0.000 0.987 459 I CA -2.987 58.139 61.300 -0.289 0.000 1.180 459 I CB 2.051 39.758 38.000 -0.489 0.000 1.340 459 I HN 0.280 nan 8.210 nan 0.000 0.455 460 P HA 0.110 nan 4.420 nan 0.000 0.271 460 P C -0.316 176.947 177.300 -0.061 0.000 1.216 460 P CA -0.146 62.910 63.100 -0.073 0.000 0.771 460 P CB 0.597 32.306 31.700 0.015 0.000 0.864 461 Q N 1.512 121.302 119.800 -0.018 0.000 2.354 461 Q HA 0.077 4.417 4.340 0.000 0.000 0.203 461 Q C 1.095 177.097 176.000 0.003 0.000 0.933 461 Q CA 0.893 56.690 55.803 -0.010 0.000 0.901 461 Q CB -0.047 28.711 28.738 0.032 0.000 1.007 461 Q HN 0.498 nan 8.270 nan 0.000 0.495 462 L N -0.026 121.210 121.223 0.023 0.000 2.653 462 L HA 0.296 4.637 4.340 0.000 0.000 0.231 462 L C 0.554 177.422 176.870 -0.004 0.000 1.153 462 L CA -0.114 54.735 54.840 0.016 0.000 0.933 462 L CB 0.013 42.091 42.059 0.033 0.000 1.175 462 L HN 0.161 nan 8.230 nan 0.000 0.473 463 G N -0.833 107.951 108.800 -0.027 0.000 2.570 463 G HA2 0.309 4.269 3.960 0.000 0.000 0.686 463 G HA3 0.309 4.269 3.960 0.000 0.000 0.686 463 G C -0.106 174.707 174.900 -0.145 0.000 1.257 463 G CA -0.542 44.512 45.100 -0.076 0.000 0.846 463 G HN 0.587 nan 8.290 nan 0.000 0.627 464 G N -0.931 107.751 108.800 -0.196 0.000 2.760 464 G HA2 0.450 4.410 3.960 0.000 0.000 0.246 464 G HA3 0.450 4.410 3.960 0.000 0.000 0.246 464 G C -0.006 174.764 174.900 -0.218 0.000 1.359 464 G CA 0.536 45.456 45.100 -0.300 0.000 0.861 464 G HN 2.188 nan 8.290 nan 0.000 0.541 465 S N -1.087 114.474 115.700 -0.231 0.000 2.599 465 S HA 0.775 5.245 4.470 0.000 0.000 0.287 465 S C 0.222 174.668 174.600 -0.256 0.000 1.105 465 S CA -0.709 57.361 58.200 -0.216 0.000 0.899 465 S CB 1.645 64.742 63.200 -0.172 0.000 1.100 465 S HN 0.719 nan 8.310 nan 0.000 0.482 466 L N 1.295 122.238 121.223 -0.466 0.000 2.439 466 L HA 0.613 4.953 4.340 0.000 0.000 0.259 466 L C -0.000 176.617 176.870 -0.421 0.000 1.129 466 L CA -0.369 54.110 54.840 -0.601 0.000 0.803 466 L CB 1.139 42.566 42.059 -1.054 0.000 1.161 466 L HN 0.523 nan 8.230 nan 0.000 0.462 467 T N 2.053 116.502 114.554 -0.175 0.000 2.886 467 T HA 0.509 4.859 4.350 0.000 0.000 0.292 467 T C -1.131 173.708 174.700 0.231 0.000 1.012 467 T CA -0.380 61.767 62.100 0.078 0.000 0.982 467 T CB 1.989 70.852 68.868 -0.007 0.000 1.018 467 T HN 0.218 nan 8.240 nan 0.000 0.451 468 L N 3.148 124.523 121.223 0.254 0.000 2.345 468 L HA 0.601 4.941 4.340 0.000 0.000 0.274 468 L C 0.127 177.095 176.870 0.163 0.000 0.999 468 L CA -0.028 54.883 54.840 0.117 0.000 0.849 468 L CB 1.017 42.976 42.059 -0.166 0.000 1.220 468 L HN 0.621 nan 8.230 nan 0.000 0.422 469 S N 2.174 117.974 115.700 0.167 0.000 2.617 469 S HA 0.538 5.008 4.470 0.000 0.000 0.259 469 S C 0.485 175.237 174.600 0.253 0.000 1.301 469 S CA -0.116 58.188 58.200 0.173 0.000 0.984 469 S CB 0.598 63.863 63.200 0.108 0.000 0.954 469 S HN 0.900 nan 8.310 nan 0.000 0.572 470 G N 0.100 108.955 108.800 0.092 0.000 2.321 470 G HA2 0.179 4.139 3.960 0.000 0.000 0.237 470 G HA3 0.179 4.139 3.960 0.000 0.000 0.237 470 G C -0.089 174.812 174.900 0.002 0.000 1.282 470 G CA -0.326 44.749 45.100 -0.040 0.000 0.886 470 G HN 0.700 nan 8.290 nan 0.000 0.528 471 R N 0.618 121.094 120.500 -0.040 0.000 3.225 471 R HA -0.200 4.140 4.340 0.000 0.000 0.245 471 R C -0.399 175.996 176.300 0.158 0.000 0.928 471 R CA 1.129 57.245 56.100 0.027 0.000 0.632 471 R CB -1.035 29.091 30.300 -0.290 0.000 1.038 471 R HN 0.699 nan 8.270 nan 0.000 0.461 472 D N -0.806 119.718 120.400 0.206 0.000 2.490 472 D HA 0.577 5.217 4.640 0.000 0.000 0.232 472 D C -1.200 175.148 176.300 0.079 0.000 1.053 472 D CA -0.461 53.626 54.000 0.146 0.000 0.914 472 D CB 2.123 43.001 40.800 0.130 0.000 1.431 472 D HN 0.015 nan 8.370 nan 0.000 0.483 473 S N 0.888 116.600 115.700 0.021 0.000 2.536 473 S HA 0.681 5.151 4.470 0.000 0.000 0.271 473 S C -1.536 172.993 174.600 -0.120 0.000 1.134 473 S CA -0.757 57.400 58.200 -0.072 0.000 0.897 473 S CB 0.781 63.935 63.200 -0.076 0.000 1.094 473 S HN 0.369 nan 8.310 nan 0.000 0.473 474 K N 2.522 122.791 120.400 -0.218 0.000 2.482 474 K HA 0.581 4.901 4.320 0.000 0.000 0.257 474 K C -1.253 175.108 176.600 -0.399 0.000 0.969 474 K CA -0.799 55.306 56.287 -0.303 0.000 0.842 474 K CB 1.962 34.269 32.500 -0.323 0.000 1.359 474 K HN 0.548 nan 8.250 nan 0.000 0.441 475 I N 2.712 123.047 120.570 -0.391 0.000 2.371 475 I HA 0.220 4.390 4.170 0.000 0.000 0.282 475 I C -0.426 175.608 176.117 -0.138 0.000 1.031 475 I CA -0.548 60.574 61.300 -0.297 0.000 1.180 475 I CB 0.616 38.337 38.000 -0.464 0.000 1.336 475 I HN 0.460 nan 8.210 nan 0.000 0.467 476 H N 4.399 123.511 119.070 0.070 0.000 2.562 476 H HA 0.479 5.035 4.556 0.000 0.000 0.352 476 H C -0.132 175.308 175.328 0.187 0.000 1.125 476 H CA -0.686 55.429 56.048 0.112 0.000 1.379 476 H CB 1.651 31.498 29.762 0.141 0.000 1.464 476 H HN 0.414 nan 8.280 nan 0.000 0.563 477 V N 0.147 120.209 119.914 0.247 0.000 2.864 477 V HA 0.714 4.834 4.120 0.000 0.000 0.314 477 V C -0.089 176.090 176.094 0.142 0.000 1.073 477 V CA -0.789 61.569 62.300 0.096 0.000 0.956 477 V CB 1.884 33.700 31.823 -0.011 0.000 1.023 477 V HN 0.936 nan 8.190 nan 0.000 0.435 478 T N -0.879 113.723 114.554 0.080 0.000 2.893 478 T HA 0.541 4.891 4.350 0.000 0.000 0.293 478 T C -0.415 174.324 174.700 0.064 0.000 1.027 478 T CA -0.083 62.108 62.100 0.151 0.000 0.988 478 T CB 1.524 70.534 68.868 0.236 0.000 1.043 478 T HN 1.020 nan 8.240 nan 0.000 0.461 479 D N 0.563 121.017 120.400 0.088 0.000 2.686 479 D HA -0.196 4.444 4.640 0.000 0.000 0.235 479 D C -0.755 175.550 176.300 0.008 0.000 1.160 479 D CA 0.790 54.814 54.000 0.040 0.000 0.645 479 D CB -1.012 39.805 40.800 0.028 0.000 1.039 479 D HN 0.721 nan 8.370 nan 0.000 0.423 480 Y N 1.305 121.544 120.300 -0.102 0.000 2.365 480 Y HA 0.235 4.785 4.550 0.000 0.000 0.340 480 Y C 0.446 176.241 175.900 -0.175 0.000 1.016 480 Y CA -0.710 57.316 58.100 -0.123 0.000 1.196 480 Y CB 0.749 39.152 38.460 -0.095 0.000 1.167 480 Y HN -0.075 nan 8.280 nan 0.000 0.509 481 D N 4.455 124.530 120.400 -0.542 0.000 2.312 481 D HA 0.331 4.971 4.640 0.000 0.000 0.252 481 D C -1.307 174.477 176.300 -0.859 0.000 1.150 481 D CA -0.169 53.524 54.000 -0.511 0.000 0.870 481 D CB 0.806 41.383 40.800 -0.372 0.000 1.153 481 D HN 0.328 nan 8.370 nan 0.000 0.457 482 V N 4.092 123.545 119.914 -0.769 0.000 2.276 482 V HA 0.484 4.604 4.120 0.000 0.000 0.268 482 V C 0.393 176.050 176.094 -0.729 0.000 1.032 482 V CA -0.273 61.295 62.300 -1.219 0.000 0.810 482 V CB 0.356 31.757 31.823 -0.702 0.000 1.060 482 V HN 0.936 nan 8.190 nan 0.000 0.446 483 A N 3.351 125.767 122.820 -0.673 0.000 2.640 483 A HA 0.019 4.339 4.320 0.000 0.000 0.300 483 A C 1.779 179.285 177.584 -0.131 0.000 1.499 483 A CA 1.427 53.367 52.037 -0.162 0.000 0.759 483 A CB -1.425 17.593 19.000 0.029 0.000 1.048 483 A HN 2.375 nan 8.150 nan 0.000 0.450 484 G N -2.866 105.838 108.800 -0.160 0.000 2.234 484 G HA2 -0.049 3.911 3.960 0.000 0.000 0.235 484 G HA3 -0.049 3.911 3.960 0.000 0.000 0.235 484 G C 0.403 175.238 174.900 -0.108 0.000 0.997 484 G CA 0.604 45.642 45.100 -0.104 0.000 0.623 484 G HN 1.805 nan 8.290 nan 0.000 0.514 485 T N 1.163 115.629 114.554 -0.146 0.000 2.767 485 T HA 0.506 4.856 4.350 0.000 0.000 0.288 485 T C -0.059 174.560 174.700 -0.135 0.000 0.963 485 T CA -0.144 61.887 62.100 -0.116 0.000 1.019 485 T CB 1.368 70.172 68.868 -0.107 0.000 0.923 485 T HN 0.391 nan 8.240 nan 0.000 0.468 486 N N 3.423 122.071 118.700 -0.087 0.000 2.414 486 N HA 0.188 4.928 4.740 0.000 0.000 0.256 486 N C -0.510 174.974 175.510 -0.042 0.000 1.029 486 N CA -0.533 52.475 53.050 -0.070 0.000 0.948 486 N CB 0.264 38.725 38.487 -0.043 0.000 1.102 486 N HN 0.361 nan 8.380 nan 0.000 0.496 487 I N 5.621 126.177 120.570 -0.023 0.000 2.256 487 I HA 0.040 4.210 4.170 0.000 0.000 0.294 487 I C 1.375 177.502 176.117 0.017 0.000 1.127 487 I CA -0.328 60.970 61.300 -0.004 0.000 1.247 487 I CB 0.196 38.205 38.000 0.016 0.000 1.460 487 I HN 0.652 nan 8.210 nan 0.000 0.511 488 L N 8.405 129.618 121.223 -0.017 0.000 2.064 488 L HA -0.183 4.157 4.340 0.000 0.000 0.216 488 L C 0.128 177.096 176.870 0.162 0.000 1.077 488 L CA 2.005 56.871 54.840 0.045 0.000 0.766 488 L CB -0.376 41.697 42.059 0.023 0.000 0.890 488 L HN 0.667 nan 8.230 nan 0.000 0.435 489 Y N -4.366 115.978 120.300 0.073 0.000 2.687 489 Y HA 0.561 5.111 4.550 0.000 0.000 0.338 489 Y C -0.897 175.064 175.900 0.102 0.000 1.189 489 Y CA -1.164 56.974 58.100 0.063 0.000 1.097 489 Y CB 0.266 38.741 38.460 0.025 0.000 1.342 489 Y HN -0.192 nan 8.280 nan 0.000 0.461 490 S N 0.509 116.395 115.700 0.310 0.000 2.603 490 S HA 0.412 4.882 4.470 0.000 0.000 0.274 490 S C 0.210 174.934 174.600 0.207 0.000 1.168 490 S CA 0.031 58.379 58.200 0.247 0.000 0.963 490 S CB 1.111 64.348 63.200 0.061 0.000 1.078 490 S HN 1.326 nan 8.310 nan 0.000 0.477 491 T N 2.130 116.801 114.554 0.195 0.000 2.937 491 T HA 0.346 4.696 4.350 0.000 0.000 0.260 491 T C 1.024 175.788 174.700 0.106 0.000 1.051 491 T CA 0.672 62.816 62.100 0.073 0.000 1.141 491 T CB -0.379 68.525 68.868 0.060 0.000 0.879 491 T HN 0.917 nan 8.240 nan 0.000 0.459 492 A N 1.694 124.400 122.820 -0.192 0.000 2.445 492 A HA 0.379 4.699 4.320 0.000 0.000 0.242 492 A C 0.168 177.567 177.584 -0.309 0.000 1.075 492 A CA -0.522 51.160 52.037 -0.591 0.000 0.777 492 A CB 0.038 18.878 19.000 -0.266 0.000 1.013 492 A HN 0.599 nan 8.150 nan 0.000 0.493 493 E N 0.407 120.288 120.200 -0.532 0.000 2.343 493 E HA 0.347 4.697 4.350 0.000 0.000 0.269 493 E C -0.799 175.592 176.600 -0.348 0.000 1.047 493 E CA -0.534 55.555 56.400 -0.518 0.000 0.874 493 E CB 1.180 30.410 29.700 -0.783 0.000 1.033 493 E HN 0.375 nan 8.360 nan 0.000 0.409 494 V N 4.066 123.934 119.914 -0.075 0.000 2.432 494 V HA -0.027 4.093 4.120 0.000 0.000 0.271 494 V C 0.256 176.582 176.094 0.387 0.000 1.046 494 V CA 0.224 62.597 62.300 0.122 0.000 0.945 494 V CB 0.500 32.363 31.823 0.067 0.000 0.992 494 V HN 0.679 nan 8.190 nan 0.000 0.471 495 F N 4.023 124.132 119.950 0.264 0.000 2.274 495 F HA 0.308 4.835 4.527 0.000 0.000 0.288 495 F C 0.971 176.852 175.800 0.136 0.000 1.069 495 F CA 1.368 59.508 58.000 0.232 0.000 1.343 495 F CB 0.524 39.574 39.000 0.082 0.000 1.089 495 F HN 0.571 nan 8.300 nan 0.000 0.517 496 T N -0.310 114.215 114.554 -0.049 0.000 2.700 496 T HA 0.408 4.758 4.350 0.000 0.000 0.307 496 T C -2.531 172.209 174.700 0.067 0.000 1.580 496 T CA -0.310 61.670 62.100 -0.200 0.000 0.992 496 T CB 0.719 69.297 68.868 -0.484 0.000 1.577 496 T HN 0.349 nan 8.240 nan 0.000 0.496 497 W N 1.346 122.590 121.300 -0.093 0.000 3.275 497 W HA 0.766 5.426 4.660 0.000 0.000 0.306 497 W C -2.060 174.350 176.519 -0.182 0.000 1.259 497 W CA -0.974 56.309 57.345 -0.104 0.000 1.194 497 W CB 0.774 30.218 29.460 -0.026 0.000 1.375 497 W HN 0.604 nan 8.180 nan 0.000 0.564 498 K N 1.847 122.233 120.400 -0.022 0.000 2.555 498 K HA 0.396 4.716 4.320 0.000 0.000 0.279 498 K C -1.614 174.735 176.600 -0.419 0.000 0.986 498 K CA -0.998 55.036 56.287 -0.421 0.000 0.880 498 K CB 3.147 35.089 32.500 -0.930 0.000 1.474 498 K HN 0.560 nan 8.250 nan 0.000 0.433 499 K N 1.635 121.780 120.400 -0.425 0.000 2.394 499 K HA 0.440 4.760 4.320 0.000 0.000 0.260 499 K C -1.330 175.067 176.600 -0.338 0.000 0.967 499 K CA -0.438 55.697 56.287 -0.253 0.000 0.855 499 K CB 0.492 32.985 32.500 -0.012 0.000 1.101 499 K HN 0.293 nan 8.250 nan 0.000 0.433 500 F N 5.348 125.332 119.950 0.057 0.000 2.311 500 F HA 0.335 4.862 4.527 0.000 0.000 0.371 500 F C 0.750 176.571 175.800 0.034 0.000 1.083 500 F CA -0.745 57.272 58.000 0.028 0.000 1.113 500 F CB 0.276 39.284 39.000 0.014 0.000 1.349 500 F HN 0.743 nan 8.300 nan 0.000 0.470 501 N N 1.255 120.064 118.700 0.181 0.000 1.742 501 N HA -0.332 4.408 4.740 0.000 0.000 0.162 501 N C 0.715 176.281 175.510 0.094 0.000 0.678 501 N CA 1.720 54.841 53.050 0.118 0.000 1.210 501 N CB -0.695 37.861 38.487 0.115 0.000 1.358 501 N HN 0.466 nan 8.380 nan 0.000 0.440 502 N N 2.405 121.161 118.700 0.094 0.000 2.236 502 N HA 0.013 4.753 4.740 0.000 0.000 0.196 502 N C 0.055 175.615 175.510 0.083 0.000 1.114 502 N CA 0.160 53.254 53.050 0.074 0.000 0.859 502 N CB 0.609 39.133 38.487 0.062 0.000 0.982 502 N HN 0.521 nan 8.380 nan 0.000 0.493 503 E N 1.513 121.786 120.200 0.122 0.000 2.249 503 E HA 0.194 4.544 4.350 0.000 0.000 0.280 503 E C -0.846 175.821 176.600 0.111 0.000 1.016 503 E CA -0.320 56.165 56.400 0.141 0.000 0.830 503 E CB 0.913 30.738 29.700 0.209 0.000 1.081 503 E HN -0.093 nan 8.360 nan 0.000 0.395 504 K N 2.479 122.928 120.400 0.082 0.000 2.207 504 K HA 0.492 4.812 4.320 0.000 0.000 0.255 504 K C -1.254 175.392 176.600 0.076 0.000 0.941 504 K CA -0.905 55.401 56.287 0.031 0.000 0.825 504 K CB 2.334 34.839 32.500 0.008 0.000 1.119 504 K HN 0.252 nan 8.250 nan 0.000 0.430 505 V N 3.659 123.597 119.914 0.040 0.000 2.588 505 V HA 0.392 4.512 4.120 0.000 0.000 0.304 505 V C -1.302 174.835 176.094 0.070 0.000 1.042 505 V CA -0.946 61.406 62.300 0.086 0.000 0.877 505 V CB 1.718 33.605 31.823 0.107 0.000 0.996 505 V HN 0.539 nan 8.190 nan 0.000 0.425 506 L N 6.357 127.615 121.223 0.058 0.000 2.381 506 L HA 0.749 5.089 4.340 0.000 0.000 0.274 506 L C -0.795 176.077 176.870 0.005 0.000 0.988 506 L CA -0.160 54.709 54.840 0.049 0.000 0.824 506 L CB 2.026 44.054 42.059 -0.052 0.000 1.263 506 L HN 0.420 nan 8.230 nan 0.000 0.410 507 V N 6.616 126.550 119.914 0.032 0.000 2.347 507 V HA 0.484 4.604 4.120 0.000 0.000 0.280 507 V C 0.054 176.203 176.094 0.091 0.000 1.021 507 V CA -0.412 61.910 62.300 0.036 0.000 0.847 507 V CB 1.114 32.971 31.823 0.058 0.000 0.990 507 V HN 0.636 nan 8.190 nan 0.000 0.444 508 L N 5.886 127.118 121.223 0.015 0.000 2.330 508 L HA 0.761 5.101 4.340 0.000 0.000 0.271 508 L C -0.798 176.169 176.870 0.162 0.000 1.013 508 L CA -0.892 53.963 54.840 0.025 0.000 0.816 508 L CB 1.990 43.992 42.059 -0.094 0.000 1.287 508 L HN 0.767 nan 8.230 nan 0.000 0.435 509 Y N -0.512 119.831 120.300 0.071 0.000 2.571 509 Y HA 0.887 5.437 4.550 0.000 0.000 0.341 509 Y C -0.555 175.368 175.900 0.039 0.000 1.076 509 Y CA -1.043 57.113 58.100 0.093 0.000 1.029 509 Y CB 1.702 40.132 38.460 -0.050 0.000 1.308 509 Y HN 0.546 nan 8.280 nan 0.000 0.461 510 G N 0.038 108.940 108.800 0.170 0.000 2.642 510 G HA2 0.567 4.527 3.960 0.000 0.000 0.293 510 G HA3 0.567 4.527 3.960 0.000 0.000 0.293 510 G C -0.766 174.233 174.900 0.164 0.000 1.341 510 G CA -0.618 44.519 45.100 0.061 0.000 0.916 510 G HN 1.072 nan 8.290 nan 0.000 0.474 511 G N -0.414 108.475 108.800 0.149 0.000 2.599 511 G HA2 0.563 4.523 3.960 0.000 0.000 0.264 511 G HA3 0.563 4.523 3.960 0.000 0.000 0.264 511 G C -2.548 172.392 174.900 0.066 0.000 1.200 511 G CA -1.098 44.063 45.100 0.101 0.000 0.896 511 G HN 0.474 nan 8.290 nan 0.000 0.536 512 P HA 0.157 nan 4.420 nan 0.000 0.264 512 P C 0.904 178.215 177.300 0.018 0.000 1.183 512 P CA 1.552 64.671 63.100 0.032 0.000 0.763 512 P CB 0.791 32.509 31.700 0.029 0.000 0.807 513 G N 1.318 110.121 108.800 0.005 0.000 2.155 513 G HA2 -0.268 3.692 3.960 0.000 0.000 0.257 513 G HA3 -0.268 3.692 3.960 0.000 0.000 0.257 513 G C -0.083 174.785 174.900 -0.054 0.000 0.983 513 G CA -0.106 44.986 45.100 -0.014 0.000 0.676 513 G HN 0.563 nan 8.290 nan 0.000 0.528 514 E N 0.017 120.161 120.200 -0.094 0.000 2.242 514 E HA 0.495 4.845 4.350 0.000 0.000 0.275 514 E C -0.091 176.285 176.600 -0.373 0.000 1.002 514 E CA -0.799 55.460 56.400 -0.235 0.000 0.841 514 E CB 1.082 30.634 29.700 -0.246 0.000 1.109 514 E HN 0.389 nan 8.360 nan 0.000 0.394 515 H N 3.064 121.794 119.070 -0.568 0.000 2.459 515 H HA 0.282 4.838 4.556 0.000 0.000 0.332 515 H C -0.949 173.883 175.328 -0.827 0.000 1.094 515 H CA -0.408 55.311 56.048 -0.548 0.000 1.224 515 H CB 0.713 30.270 29.762 -0.342 0.000 1.449 515 H HN 0.567 nan 8.280 nan 0.000 0.484 516 H N 2.535 120.906 119.070 -1.165 0.000 2.908 516 H HA 0.354 4.910 4.556 0.000 0.000 0.350 516 H C -0.688 174.263 175.328 -0.629 0.000 1.217 516 H CA -0.705 54.828 56.048 -0.857 0.000 1.168 516 H CB 2.466 31.670 29.762 -0.930 0.000 1.891 516 H HN 0.705 nan 8.280 nan 0.000 0.566 517 E N 0.804 121.033 120.200 0.048 0.000 2.375 517 E HA 0.371 4.721 4.350 0.000 0.000 0.280 517 E C -1.658 175.170 176.600 0.380 0.000 0.972 517 E CA -0.528 55.980 56.400 0.180 0.000 0.782 517 E CB 2.202 31.980 29.700 0.130 0.000 1.229 517 E HN 0.362 nan 8.360 nan 0.000 0.439 518 F N 0.751 120.762 119.950 0.102 0.000 2.643 518 F HA 0.944 5.471 4.527 0.000 0.000 0.314 518 F C -1.510 174.009 175.800 -0.469 0.000 1.096 518 F CA -0.893 56.990 58.000 -0.195 0.000 0.953 518 F CB 1.392 40.354 39.000 -0.063 0.000 1.345 518 F HN 0.445 nan 8.300 nan 0.000 0.468 519 A N 1.160 123.666 122.820 -0.524 0.000 2.486 519 A HA 0.767 5.087 4.320 0.000 0.000 0.300 519 A C -2.026 175.471 177.584 -0.144 0.000 1.048 519 A CA -0.850 50.916 52.037 -0.451 0.000 0.696 519 A CB 1.724 20.290 19.000 -0.723 0.000 1.278 519 A HN 0.909 nan 8.150 nan 0.000 0.405 520 V N 1.982 121.866 119.914 -0.051 0.000 2.378 520 V HA 0.370 4.490 4.120 0.000 0.000 0.288 520 V C 0.419 176.499 176.094 -0.023 0.000 1.016 520 V CA -0.579 61.720 62.300 -0.003 0.000 0.840 520 V CB 1.463 33.315 31.823 0.050 0.000 0.994 520 V HN 0.897 nan 8.190 nan 0.000 0.431 521 S N 3.461 119.148 115.700 -0.022 0.000 2.537 521 S HA 0.397 4.867 4.470 0.000 0.000 0.286 521 S C 1.369 175.963 174.600 -0.010 0.000 1.299 521 S CA 0.664 58.856 58.200 -0.013 0.000 1.067 521 S CB 0.727 63.922 63.200 -0.008 0.000 0.864 521 S HN 1.611 nan 8.310 nan 0.000 0.494 522 G N 1.659 110.455 108.800 -0.006 0.000 2.189 522 G HA2 -0.211 3.749 3.960 0.000 0.000 0.267 522 G HA3 -0.211 3.749 3.960 0.000 0.000 0.267 522 G C 0.230 175.128 174.900 -0.004 0.000 0.975 522 G CA 0.048 45.145 45.100 -0.004 0.000 0.644 522 G HN 1.191 nan 8.290 nan 0.000 0.537 523 A N 0.093 122.910 122.820 -0.005 0.000 2.351 523 A HA 0.767 5.087 4.320 0.000 0.000 0.257 523 A C 1.522 179.104 177.584 -0.004 0.000 1.087 523 A CA 1.083 53.119 52.037 -0.001 0.000 0.798 523 A CB 0.686 19.688 19.000 0.004 0.000 1.033 523 A HN 1.478 nan 8.150 nan 0.000 0.488 524 S N 0.289 115.988 115.700 -0.001 0.000 2.468 524 S HA 0.340 4.810 4.470 0.000 0.000 0.226 524 S C 0.858 175.454 174.600 -0.005 0.000 1.051 524 S CA 0.733 58.932 58.200 -0.003 0.000 0.943 524 S CB -0.171 63.030 63.200 0.001 0.000 0.810 524 S HN 1.194 nan 8.310 nan 0.000 0.509 525 S N -0.203 115.495 115.700 -0.003 0.000 2.755 525 S HA 0.697 5.167 4.470 0.000 0.000 0.286 525 S C -1.738 172.861 174.600 -0.002 0.000 1.207 525 S CA 0.033 58.230 58.200 -0.006 0.000 0.892 525 S CB 1.004 64.202 63.200 -0.003 0.000 1.240 525 S HN 1.054 nan 8.310 nan 0.000 0.525 526 S N 0.123 115.822 115.700 -0.003 0.000 2.596 526 S HA 0.843 5.313 4.470 0.000 0.000 0.270 526 S C -1.546 173.057 174.600 0.005 0.000 1.155 526 S CA -0.569 57.635 58.200 0.006 0.000 0.827 526 S CB 1.450 64.649 63.200 -0.001 0.000 1.130 526 S HN 0.759 nan 8.310 nan 0.000 0.467 527 S N 0.511 116.217 115.700 0.010 0.000 2.541 527 S HA 0.579 5.049 4.470 0.000 0.000 0.280 527 S C -1.014 173.587 174.600 0.001 0.000 1.112 527 S CA -0.732 57.471 58.200 0.006 0.000 0.925 527 S CB 1.711 64.916 63.200 0.008 0.000 1.067 527 S HN 0.780 nan 8.310 nan 0.000 0.479 528 V N 3.606 123.518 119.914 -0.004 0.000 2.372 528 V HA 0.124 4.244 4.120 0.000 0.000 0.261 528 V C 1.063 177.144 176.094 -0.021 0.000 1.055 528 V CA -0.244 62.047 62.300 -0.015 0.000 0.930 528 V CB 0.627 32.445 31.823 -0.009 0.000 1.031 528 V HN 0.859 nan 8.190 nan 0.000 0.479 529 V N 1.411 121.304 119.914 -0.036 0.000 3.633 529 V HA 0.414 4.534 4.120 0.000 0.000 0.283 529 V C 0.443 176.504 176.094 -0.056 0.000 1.305 529 V CA 0.386 62.664 62.300 -0.036 0.000 1.153 529 V CB -0.434 31.373 31.823 -0.026 0.000 0.950 529 V HN 0.873 nan 8.190 nan 0.000 0.432 530 E N -0.083 120.074 120.200 -0.072 0.000 2.388 530 E HA 0.505 4.855 4.350 0.000 0.000 0.289 530 E C -0.147 176.417 176.600 -0.060 0.000 0.944 530 E CA 0.153 56.508 56.400 -0.076 0.000 0.792 530 E CB 1.562 31.184 29.700 -0.130 0.000 1.239 530 E HN 0.791 nan 8.360 nan 0.000 0.412 531 G N 1.952 110.733 108.800 -0.031 0.000 2.757 531 G HA2 -0.194 3.766 3.960 0.000 0.000 0.638 531 G HA3 -0.194 3.766 3.960 0.000 0.000 0.638 531 G C -0.372 174.528 174.900 0.000 0.000 1.344 531 G CA -0.278 44.815 45.100 -0.012 0.000 0.855 531 G HN 0.649 nan 8.290 nan 0.000 0.537 532 S N -0.947 114.762 115.700 0.015 0.000 2.576 532 S HA 0.522 4.992 4.470 0.000 0.000 0.276 532 S C 1.714 176.330 174.600 0.027 0.000 1.339 532 S CA 0.808 59.022 58.200 0.022 0.000 1.039 532 S CB 0.771 63.990 63.200 0.030 0.000 0.902 532 S HN 2.169 nan 8.310 nan 0.000 0.516 533 S N 2.658 118.373 115.700 0.026 0.000 2.605 533 S HA 0.148 4.618 4.470 0.000 0.000 0.217 533 S C 0.636 175.262 174.600 0.044 0.000 0.958 533 S CA -0.246 57.972 58.200 0.030 0.000 0.919 533 S CB -0.210 63.002 63.200 0.020 0.000 0.780 533 S HN 0.613 nan 8.310 nan 0.000 0.507 534 S N 1.149 116.877 115.700 0.047 0.000 2.533 534 S HA 0.447 4.917 4.470 0.000 0.000 0.282 534 S C 1.483 176.129 174.600 0.077 0.000 1.304 534 S CA 0.645 58.877 58.200 0.052 0.000 1.063 534 S CB -0.280 62.947 63.200 0.046 0.000 0.881 534 S HN 1.431 nan 8.310 nan 0.000 0.493 535 G N 3.937 112.782 108.800 0.076 0.000 2.184 535 G HA2 -0.227 3.733 3.960 0.000 0.000 0.264 535 G HA3 -0.227 3.733 3.960 0.000 0.000 0.264 535 G C 0.115 175.100 174.900 0.142 0.000 0.975 535 G CA 0.430 45.593 45.100 0.106 0.000 0.642 535 G HN 0.752 nan 8.290 nan 0.000 0.536 536 I N 1.859 122.499 120.570 0.116 0.000 2.321 536 I HA 0.455 4.625 4.170 0.000 0.000 0.291 536 I C 0.041 176.199 176.117 0.069 0.000 0.998 536 I CA -0.413 60.959 61.300 0.119 0.000 1.227 536 I CB 1.738 39.795 38.000 0.095 0.000 1.368 536 I HN 0.048 nan 8.210 nan 0.000 0.466 537 S N 3.937 119.674 115.700 0.061 0.000 2.503 537 S HA 0.534 5.004 4.470 0.000 0.000 0.301 537 S C -0.461 174.126 174.600 -0.022 0.000 1.087 537 S CA -0.613 57.601 58.200 0.024 0.000 1.042 537 S CB 1.961 65.182 63.200 0.036 0.000 1.043 537 S HN 0.616 nan 8.310 nan 0.000 0.489 538 S N 2.055 117.737 115.700 -0.031 0.000 2.672 538 S HA 0.644 5.114 4.470 0.000 0.000 0.291 538 S C -1.272 173.302 174.600 -0.044 0.000 1.145 538 S CA -0.720 57.444 58.200 -0.061 0.000 1.013 538 S CB 0.511 63.680 63.200 -0.052 0.000 1.017 538 S HN 0.692 nan 8.310 nan 0.000 0.487 539 K N 3.455 123.823 120.400 -0.053 0.000 2.543 539 K HA 0.335 4.655 4.320 0.000 0.000 0.255 539 K C -1.396 175.183 176.600 -0.034 0.000 0.934 539 K CA -0.701 55.566 56.287 -0.033 0.000 0.810 539 K CB 1.440 33.928 32.500 -0.020 0.000 1.315 539 K HN 0.571 nan 8.250 nan 0.000 0.433 540 K N 3.287 123.673 120.400 -0.023 0.000 2.349 540 K HA 0.224 4.544 4.320 0.000 0.000 0.289 540 K C -1.192 175.403 176.600 -0.008 0.000 1.064 540 K CA -0.367 55.909 56.287 -0.018 0.000 0.947 540 K CB 0.815 33.308 32.500 -0.012 0.000 1.007 540 K HN 0.279 nan 8.250 nan 0.000 0.478 541 V N 5.095 125.007 119.914 -0.002 0.000 2.349 541 V HA 0.408 4.528 4.120 0.000 0.000 0.284 541 V C 0.728 176.832 176.094 0.017 0.000 1.014 541 V CA 0.081 62.388 62.300 0.011 0.000 0.826 541 V CB 0.442 32.280 31.823 0.025 0.000 1.009 541 V HN 1.184 nan 8.190 nan 0.000 0.431 542 G N 5.541 114.349 108.800 0.013 0.000 2.550 542 G HA2 -0.269 3.691 3.960 0.000 0.000 0.277 542 G HA3 -0.269 3.691 3.960 0.000 0.000 0.277 542 G C 0.354 175.261 174.900 0.012 0.000 1.190 542 G CA 0.394 45.503 45.100 0.015 0.000 0.971 542 G HN 0.650 nan 8.290 nan 0.000 0.559 543 K N 1.645 122.054 120.400 0.015 0.000 2.827 543 K HA 0.591 4.911 4.320 0.000 0.000 0.222 543 K C 0.300 176.903 176.600 0.006 0.000 1.114 543 K CA 0.605 56.898 56.287 0.010 0.000 1.206 543 K CB 0.387 32.894 32.500 0.011 0.000 1.035 543 K HN 0.966 nan 8.250 nan 0.000 0.464 544 A N 0.881 123.703 122.820 0.003 0.000 2.549 544 A HA 0.417 4.737 4.320 0.000 0.000 0.297 544 A C -1.724 175.842 177.584 -0.029 0.000 1.061 544 A CA -0.779 51.250 52.037 -0.013 0.000 0.690 544 A CB 1.406 20.399 19.000 -0.012 0.000 1.287 544 A HN 0.188 nan 8.150 nan 0.000 0.402 545 L N 2.999 124.194 121.223 -0.047 0.000 2.257 545 L HA 0.579 4.919 4.340 0.000 0.000 0.290 545 L C -0.904 175.885 176.870 -0.133 0.000 1.044 545 L CA -0.155 54.645 54.840 -0.066 0.000 0.810 545 L CB 0.818 42.848 42.059 -0.048 0.000 1.193 545 L HN 0.486 nan 8.230 nan 0.000 0.425 546 V N 6.137 125.968 119.914 -0.138 0.000 2.439 546 V HA 0.440 4.560 4.120 0.000 0.000 0.282 546 V C 0.089 176.012 176.094 -0.285 0.000 1.039 546 V CA -0.613 61.562 62.300 -0.209 0.000 0.913 546 V CB 1.870 33.651 31.823 -0.071 0.000 0.983 546 V HN 0.537 nan 8.190 nan 0.000 0.460 547 V N 3.872 123.459 119.914 -0.546 0.000 2.483 547 V HA 0.798 4.918 4.120 0.000 0.000 0.297 547 V C 0.198 176.077 176.094 -0.358 0.000 1.027 547 V CA -0.501 61.458 62.300 -0.567 0.000 0.855 547 V CB 1.671 32.876 31.823 -1.030 0.000 0.995 547 V HN 1.009 nan 8.190 nan 0.000 0.424 548 A N 5.996 128.772 122.820 -0.073 0.000 2.325 548 A HA 1.032 5.352 4.320 0.000 0.000 0.333 548 A C -0.938 176.776 177.584 0.216 0.000 1.155 548 A CA -0.513 51.556 52.037 0.054 0.000 0.814 548 A CB 1.419 20.483 19.000 0.107 0.000 1.206 548 A HN 1.121 nan 8.150 nan 0.000 0.482 549 W N 0.731 121.931 121.300 -0.167 0.000 3.066 549 W HA 0.592 5.252 4.660 0.000 0.000 0.330 549 W C -2.114 174.356 176.519 -0.082 0.000 1.253 549 W CA -1.034 56.281 57.345 -0.050 0.000 1.187 549 W CB 0.505 29.988 29.460 0.037 0.000 1.434 549 W HN 0.526 nan 8.180 nan 0.000 0.572 550 D N 1.497 121.983 120.400 0.144 0.000 2.256 550 D HA 0.383 5.023 4.640 0.000 0.000 0.246 550 D C -0.070 176.285 176.300 0.091 0.000 1.042 550 D CA -0.584 53.406 54.000 -0.017 0.000 0.841 550 D CB 3.271 44.125 40.800 0.091 0.000 1.223 550 D HN 0.091 nan 8.370 nan 0.000 0.470 551 V N 1.618 121.483 119.914 -0.082 0.000 2.673 551 V HA 0.234 4.354 4.120 0.000 0.000 0.303 551 V C 0.694 176.880 176.094 0.154 0.000 1.046 551 V CA 0.666 63.030 62.300 0.106 0.000 1.126 551 V CB 1.143 32.983 31.823 0.029 0.000 0.934 551 V HN 0.554 nan 8.190 nan 0.000 0.487 552 S N 1.834 117.659 115.700 0.208 0.000 2.579 552 S HA 0.391 4.861 4.470 0.000 0.000 0.272 552 S C 0.860 175.533 174.600 0.121 0.000 1.141 552 S CA 0.024 58.308 58.200 0.140 0.000 0.843 552 S CB 2.096 65.380 63.200 0.140 0.000 1.122 552 S HN 0.986 nan 8.310 nan 0.000 0.468 553 T N 0.697 115.302 114.554 0.085 0.000 3.035 553 T HA 0.283 4.633 4.350 0.000 0.000 0.268 553 T C 0.731 175.477 174.700 0.076 0.000 1.109 553 T CA 0.661 62.804 62.100 0.071 0.000 1.119 553 T CB -0.322 68.579 68.868 0.054 0.000 0.900 553 T HN 0.898 nan 8.240 nan 0.000 0.503 554 A N 1.601 124.468 122.820 0.078 0.000 2.289 554 A HA 0.608 4.929 4.320 0.000 0.000 0.298 554 A C 0.371 177.998 177.584 0.071 0.000 1.208 554 A CA -0.928 51.150 52.037 0.068 0.000 0.845 554 A CB 0.339 19.372 19.000 0.056 0.000 1.125 554 A HN 0.514 nan 8.150 nan 0.000 0.517 555 R N 1.400 121.936 120.500 0.059 0.000 2.543 555 R HA 0.386 4.726 4.340 0.000 0.000 0.277 555 R C -0.743 175.541 176.300 -0.026 0.000 1.074 555 R CA 0.008 56.126 56.100 0.030 0.000 1.076 555 R CB 0.367 30.695 30.300 0.046 0.000 0.993 555 R HN 0.705 nan 8.270 nan 0.000 0.459 556 R N 3.392 123.846 120.500 -0.078 0.000 2.686 556 R HA 0.497 4.837 4.340 0.000 0.000 0.286 556 R C -1.004 175.166 176.300 -0.215 0.000 0.969 556 R CA -0.494 55.539 56.100 -0.112 0.000 0.898 556 R CB 1.749 32.008 30.300 -0.068 0.000 1.183 556 R HN 0.564 nan 8.270 nan 0.000 0.456 557 I N 2.506 122.940 120.570 -0.227 0.000 2.418 557 I HA 0.394 4.564 4.170 0.000 0.000 0.287 557 I C -0.764 175.265 176.117 -0.148 0.000 1.008 557 I CA -1.077 60.048 61.300 -0.292 0.000 1.104 557 I CB 2.045 39.774 38.000 -0.452 0.000 1.264 557 I HN 0.143 nan 8.210 nan 0.000 0.438 558 V N 5.662 125.519 119.914 -0.095 0.000 2.384 558 V HA 0.278 4.398 4.120 0.000 0.000 0.287 558 V C -0.111 175.997 176.094 0.025 0.000 1.020 558 V CA -0.648 61.643 62.300 -0.014 0.000 0.850 558 V CB 1.600 33.451 31.823 0.047 0.000 0.987 558 V HN 0.675 nan 8.190 nan 0.000 0.436 559 Q N 4.074 123.889 119.800 0.024 0.000 2.296 559 Q HA 0.514 4.854 4.340 0.000 0.000 0.257 559 Q C -1.080 174.950 176.000 0.050 0.000 0.942 559 Q CA -0.059 55.769 55.803 0.041 0.000 0.939 559 Q CB 1.517 30.273 28.738 0.031 0.000 1.198 559 Q HN 0.592 nan 8.270 nan 0.000 0.429 560 V N 5.541 125.493 119.914 0.063 0.000 2.340 560 V HA 0.663 4.783 4.120 0.000 0.000 0.277 560 V C 0.761 176.881 176.094 0.044 0.000 1.017 560 V CA 0.149 62.485 62.300 0.060 0.000 0.820 560 V CB 0.195 32.078 31.823 0.100 0.000 1.028 560 V HN 1.054 nan 8.190 nan 0.000 0.436 561 G N 4.894 113.714 108.800 0.033 0.000 2.550 561 G HA2 -0.307 3.653 3.960 0.000 0.000 0.277 561 G HA3 -0.307 3.653 3.960 0.000 0.000 0.277 561 G C 1.039 175.960 174.900 0.036 0.000 1.190 561 G CA 0.608 45.725 45.100 0.028 0.000 0.971 561 G HN 1.449 nan 8.290 nan 0.000 0.559 562 S N -0.379 115.341 115.700 0.034 0.000 2.603 562 S HA 0.439 4.909 4.470 0.000 0.000 0.220 562 S C 0.734 175.367 174.600 0.054 0.000 0.967 562 S CA 1.223 59.450 58.200 0.045 0.000 0.920 562 S CB 0.230 63.453 63.200 0.038 0.000 0.773 562 S HN 1.429 nan 8.310 nan 0.000 0.529 563 L N 2.140 123.392 121.223 0.047 0.000 2.282 563 L HA 0.518 4.858 4.340 0.000 0.000 0.288 563 L C -0.695 176.221 176.870 0.076 0.000 1.033 563 L CA -0.345 54.525 54.840 0.051 0.000 0.807 563 L CB 1.141 43.210 42.059 0.017 0.000 1.209 563 L HN -0.033 nan 8.230 nan 0.000 0.423 564 K N 4.874 125.349 120.400 0.125 0.000 2.263 564 K HA 0.489 4.809 4.320 0.000 0.000 0.272 564 K C -1.223 175.503 176.600 0.210 0.000 1.033 564 K CA -0.680 55.712 56.287 0.175 0.000 0.884 564 K CB 1.659 34.335 32.500 0.293 0.000 1.107 564 K HN 0.417 nan 8.250 nan 0.000 0.460 565 V N 4.984 124.955 119.914 0.095 0.000 2.333 565 V HA 0.250 4.370 4.120 0.000 0.000 0.274 565 V C -0.419 175.706 176.094 0.051 0.000 1.028 565 V CA -0.764 61.534 62.300 -0.004 0.000 0.851 565 V CB -0.019 31.625 31.823 -0.299 0.000 1.000 565 V HN 0.518 nan 8.190 nan 0.000 0.456 566 F N 5.393 125.245 119.950 -0.164 0.000 2.445 566 F HA 0.441 4.968 4.527 0.000 0.000 0.359 566 F C 0.369 175.996 175.800 -0.289 0.000 1.101 566 F CA -0.787 57.121 58.000 -0.153 0.000 1.177 566 F CB 0.741 39.700 39.000 -0.068 0.000 1.110 566 F HN 0.252 nan 8.300 nan 0.000 0.522 567 L N 6.210 127.279 121.223 -0.257 0.000 2.277 567 L HA 0.500 4.840 4.340 0.000 0.000 0.284 567 L C -0.500 176.273 176.870 -0.162 0.000 1.028 567 L CA -0.272 54.223 54.840 -0.574 0.000 0.835 567 L CB 0.603 42.011 42.059 -1.086 0.000 1.215 567 L HN 0.478 nan 8.230 nan 0.000 0.425 568 L N 2.180 123.423 121.223 0.034 0.000 2.301 568 L HA 0.576 4.917 4.340 0.000 0.000 0.264 568 L C -0.454 176.570 176.870 0.256 0.000 1.016 568 L CA -1.059 53.855 54.840 0.123 0.000 0.821 568 L CB 2.114 44.154 42.059 -0.031 0.000 1.346 568 L HN 0.534 nan 8.230 nan 0.000 0.429 569 D N 0.012 120.502 120.400 0.150 0.000 2.277 569 D HA 0.156 4.797 4.640 0.000 0.000 0.250 569 D C 0.663 176.957 176.300 -0.011 0.000 1.032 569 D CA -0.714 53.356 54.000 0.117 0.000 0.947 569 D CB 1.809 42.653 40.800 0.072 0.000 1.159 569 D HN 0.484 nan 8.370 nan 0.000 0.460 570 R N 1.352 121.823 120.500 -0.049 0.000 2.113 570 R HA -0.242 4.098 4.340 0.000 0.000 0.244 570 R C 1.211 177.080 176.300 -0.718 0.000 1.142 570 R CA 2.071 57.970 56.100 -0.336 0.000 0.953 570 R CB -0.316 29.813 30.300 -0.285 0.000 0.860 570 R HN 0.498 nan 8.270 nan 0.000 0.438 571 N N -0.229 118.140 118.700 -0.552 0.000 2.289 571 N HA -0.091 4.649 4.740 0.000 0.000 0.184 571 N C 1.558 176.951 175.510 -0.195 0.000 1.016 571 N CA 1.552 54.310 53.050 -0.487 0.000 0.872 571 N CB 0.025 38.404 38.487 -0.180 0.000 0.973 571 N HN 0.130 nan 8.380 nan 0.000 0.433 572 S N -0.069 115.555 115.700 -0.126 0.000 2.395 572 S HA 0.081 4.551 4.470 0.000 0.000 0.225 572 S C 2.048 176.658 174.600 0.016 0.000 1.027 572 S CA 0.695 58.909 58.200 0.024 0.000 0.965 572 S CB -0.232 63.017 63.200 0.083 0.000 0.812 572 S HN 0.477 nan 8.310 nan 0.000 0.482 573 A N 0.655 123.317 122.820 -0.263 0.000 2.019 573 A HA -0.104 4.216 4.320 0.000 0.000 0.219 573 A C 1.718 179.044 177.584 -0.430 0.000 1.164 573 A CA 1.202 52.903 52.037 -0.560 0.000 0.644 573 A CB -0.843 17.655 19.000 -0.836 0.000 0.805 573 A HN 0.499 nan 8.150 nan 0.000 0.449 574 Y N 0.738 120.825 120.300 -0.354 0.000 2.315 574 Y HA -0.130 4.420 4.550 0.000 0.000 0.288 574 Y C 1.678 177.385 175.900 -0.322 0.000 1.154 574 Y CA 0.976 58.881 58.100 -0.325 0.000 1.229 574 Y CB -0.422 37.926 38.460 -0.187 0.000 0.980 574 Y HN 0.368 nan 8.280 nan 0.000 0.540 575 N N -1.234 117.466 118.700 -0.000 0.000 2.322 575 N HA -0.040 4.700 4.740 0.000 0.000 0.194 575 N C -0.672 174.749 175.510 -0.149 0.000 1.126 575 N CA 0.189 53.233 53.050 -0.011 0.000 0.845 575 N CB -0.074 38.472 38.487 0.098 0.000 0.976 575 N HN 0.177 nan 8.380 nan 0.000 0.475 576 Y N -0.514 119.495 120.300 -0.486 0.000 2.376 576 Y HA 0.367 4.917 4.550 0.000 0.000 0.325 576 Y C -0.098 175.511 175.900 -0.484 0.000 1.199 576 Y CA -0.673 57.222 58.100 -0.341 0.000 1.206 576 Y CB 0.753 38.962 38.460 -0.418 0.000 1.229 576 Y HN -0.081 nan 8.280 nan 0.000 0.480 577 W N 0.024 121.494 121.300 0.284 0.000 3.033 577 W HA 0.678 5.338 4.660 0.000 0.000 0.336 577 W C -1.448 175.201 176.519 0.217 0.000 1.173 577 W CA -0.931 56.559 57.345 0.241 0.000 1.185 577 W CB 1.412 30.927 29.460 0.091 0.000 1.425 577 W HN 0.031 nan 8.180 nan 0.000 0.536 578 V N 3.190 123.314 119.914 0.351 0.000 2.384 578 V HA 0.232 4.352 4.120 0.000 0.000 0.257 578 V C -2.066 174.097 176.094 0.114 0.000 0.969 578 V CA -1.541 60.860 62.300 0.168 0.000 0.910 578 V CB -0.101 31.724 31.823 0.003 0.000 1.150 578 V HN 0.256 nan 8.190 nan 0.000 0.481 579 P HA 0.239 nan 4.420 nan 0.000 0.275 579 P C -0.432 176.889 177.300 0.034 0.000 1.228 579 P CA -0.126 63.013 63.100 0.066 0.000 0.786 579 P CB 1.182 32.908 31.700 0.043 0.000 0.927 580 Q N 0.397 120.208 119.800 0.019 0.000 2.368 580 Q HA 0.405 4.745 4.340 0.000 0.000 0.237 580 Q C -0.541 175.470 176.000 0.019 0.000 0.987 580 Q CA -0.596 55.212 55.803 0.008 0.000 0.896 580 Q CB 0.947 29.680 28.738 -0.007 0.000 1.241 580 Q HN 0.237 nan 8.270 nan 0.000 0.485 581 V N 3.425 123.352 119.914 0.021 0.000 2.398 581 V HA 0.289 4.409 4.120 0.000 0.000 0.282 581 V C -2.142 173.975 176.094 0.038 0.000 1.014 581 V CA -1.486 60.835 62.300 0.036 0.000 0.838 581 V CB 1.184 33.018 31.823 0.018 0.000 1.018 581 V HN 0.721 nan 8.190 nan 0.000 0.432 582 P HA 0.171 nan 4.420 nan 0.000 0.277 582 P C 0.821 178.147 177.300 0.042 0.000 1.240 582 P CA 0.004 63.120 63.100 0.026 0.000 0.798 582 P CB 1.829 33.529 31.700 -0.001 0.000 0.979 583 T N 1.035 115.605 114.554 0.027 0.000 2.770 583 T HA -0.012 4.338 4.350 0.000 0.000 0.263 583 T C 0.614 175.330 174.700 0.027 0.000 1.039 583 T CA 1.162 63.281 62.100 0.032 0.000 1.142 583 T CB -0.181 68.701 68.868 0.024 0.000 0.868 583 T HN 0.394 nan 8.240 nan 0.000 0.435 584 K N 0.473 120.874 120.400 0.002 0.000 2.259 584 K HA 0.581 4.901 4.320 0.000 0.000 0.252 584 K C 0.196 176.760 176.600 -0.061 0.000 0.936 584 K CA -0.389 55.885 56.287 -0.020 0.000 0.810 584 K CB 1.816 34.304 32.500 -0.020 0.000 1.143 584 K HN 0.490 nan 8.250 nan 0.000 0.427 585 G N 0.405 109.141 108.800 -0.108 0.000 2.725 585 G HA2 -0.283 3.677 3.960 0.000 0.000 0.220 585 G HA3 -0.283 3.677 3.960 0.000 0.000 0.220 585 G C 0.434 175.139 174.900 -0.324 0.000 1.357 585 G CA 0.001 44.986 45.100 -0.191 0.000 0.866 585 G HN 0.649 nan 8.290 nan 0.000 0.548 586 T N -2.245 112.064 114.554 -0.408 0.000 2.985 586 T HA 0.674 5.024 4.350 0.000 0.000 0.254 586 T C 1.202 175.769 174.700 -0.222 0.000 1.021 586 T CA 1.487 63.244 62.100 -0.571 0.000 0.957 586 T CB 0.395 68.799 68.868 -0.773 0.000 1.047 586 T HN 2.202 nan 8.240 nan 0.000 0.511 587 A N 3.668 126.380 122.820 -0.180 0.000 2.401 587 A HA 0.554 4.874 4.320 0.000 0.000 0.259 587 A C -0.558 176.957 177.584 -0.114 0.000 1.103 587 A CA -1.428 50.522 52.037 -0.144 0.000 0.789 587 A CB 0.499 19.396 19.000 -0.171 0.000 1.035 587 A HN 0.250 nan 8.150 nan 0.000 0.491 588 P HA 0.041 nan 4.420 nan 0.000 0.219 588 P C 0.832 178.062 177.300 -0.116 0.000 1.150 588 P CA 1.503 64.555 63.100 -0.080 0.000 0.814 588 P CB -0.122 31.539 31.700 -0.066 0.000 0.787 589 G N -0.626 108.047 108.800 -0.211 0.000 2.730 589 G HA2 -0.177 3.783 3.960 0.000 0.000 0.686 589 G HA3 -0.177 3.783 3.960 0.000 0.000 0.686 589 G C -0.946 173.780 174.900 -0.290 0.000 1.343 589 G CA -0.807 44.133 45.100 -0.266 0.000 0.826 589 G HN 0.041 nan 8.290 nan 0.000 0.582 590 Y N 0.367 120.572 120.300 -0.159 0.000 2.385 590 Y HA 0.428 4.978 4.550 0.000 0.000 0.346 590 Y C 1.687 177.517 175.900 -0.116 0.000 1.270 590 Y CA 0.622 58.563 58.100 -0.264 0.000 1.472 590 Y CB 0.603 38.807 38.460 -0.426 0.000 1.354 590 Y HN 0.543 nan 8.280 nan 0.000 0.611 591 S N 2.425 118.185 115.700 0.099 0.000 2.474 591 S HA 0.348 4.818 4.470 0.000 0.000 0.276 591 S C -0.438 174.245 174.600 0.138 0.000 1.227 591 S CA -0.700 57.555 58.200 0.092 0.000 1.050 591 S CB -0.386 62.864 63.200 0.083 0.000 0.939 591 S HN 0.694 nan 8.310 nan 0.000 0.490 592 N N 1.497 120.249 118.700 0.085 0.000 3.039 592 N HA 0.243 4.983 4.740 0.000 0.000 0.257 592 N C 0.264 175.787 175.510 0.021 0.000 1.497 592 N CA -0.841 52.255 53.050 0.077 0.000 0.861 592 N CB 0.225 38.776 38.487 0.108 0.000 1.479 592 N HN 0.111 nan 8.380 nan 0.000 0.547 593 Q N 0.169 119.977 119.800 0.012 0.000 2.096 593 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 593 Q C 1.240 177.228 176.000 -0.020 0.000 0.982 593 Q CA 1.982 57.776 55.803 -0.014 0.000 0.850 593 Q CB -0.368 28.369 28.738 -0.000 0.000 0.901 593 Q HN 0.894 nan 8.270 nan 0.000 0.422 594 E N 0.140 120.342 120.200 0.004 0.000 2.051 594 E HA -0.158 4.192 4.350 0.000 0.000 0.192 594 E C 1.855 178.452 176.600 -0.006 0.000 0.991 594 E CA 1.898 58.301 56.400 0.004 0.000 0.799 594 E CB 0.072 29.784 29.700 0.020 0.000 0.748 594 E HN 0.459 nan 8.360 nan 0.000 0.449 595 T N -2.189 112.365 114.554 0.001 0.000 2.915 595 T HA -0.057 4.293 4.350 0.000 0.000 0.269 595 T C 1.917 176.597 174.700 -0.034 0.000 1.071 595 T CA 1.455 63.550 62.100 -0.007 0.000 1.132 595 T CB -0.450 68.420 68.868 0.003 0.000 0.878 595 T HN 0.025 nan 8.240 nan 0.000 0.479 596 T N 1.885 116.404 114.554 -0.059 0.000 2.857 596 T HA 0.219 4.569 4.350 0.000 0.000 0.266 596 T C 2.452 177.054 174.700 -0.165 0.000 1.048 596 T CA 1.032 63.059 62.100 -0.121 0.000 1.139 596 T CB -0.664 68.111 68.868 -0.154 0.000 0.874 596 T HN 0.590 nan 8.240 nan 0.000 0.455 597 A N 1.818 124.559 122.820 -0.132 0.000 1.969 597 A HA -0.043 4.277 4.320 0.000 0.000 0.218 597 A C 2.311 179.852 177.584 -0.071 0.000 1.169 597 A CA 1.731 53.689 52.037 -0.133 0.000 0.635 597 A CB -0.520 18.438 19.000 -0.070 0.000 0.810 597 A HN 0.561 nan 8.150 nan 0.000 0.445 598 S N -0.512 115.173 115.700 -0.025 0.000 2.634 598 S HA 0.266 4.737 4.470 0.000 0.000 0.221 598 S C 0.546 175.172 174.600 0.043 0.000 0.952 598 S CA 0.031 58.246 58.200 0.026 0.000 0.930 598 S CB -0.218 62.996 63.200 0.024 0.000 0.780 598 S HN 0.254 nan 8.310 nan 0.000 0.498 599 S N 2.168 117.878 115.700 0.017 0.000 2.614 599 S HA 0.627 5.097 4.470 0.000 0.000 0.265 599 S C 0.361 175.039 174.600 0.132 0.000 1.303 599 S CA -0.720 57.499 58.200 0.032 0.000 1.000 599 S CB 0.467 63.653 63.200 -0.023 0.000 0.935 599 S HN 0.630 nan 8.310 nan 0.000 0.551 600 I N -1.596 119.036 120.570 0.103 0.000 3.170 600 I HA 0.661 4.831 4.170 0.000 0.000 0.312 600 I C -1.223 174.969 176.117 0.126 0.000 1.085 600 I CA -1.310 60.062 61.300 0.120 0.000 0.999 600 I CB 1.426 39.379 38.000 -0.080 0.000 1.233 600 I HN 0.420 nan 8.210 nan 0.000 0.467 601 I N 3.016 123.659 120.570 0.121 0.000 2.362 601 I HA 0.456 4.626 4.170 0.000 0.000 0.289 601 I C -0.885 175.297 176.117 0.107 0.000 0.994 601 I CA -0.870 60.530 61.300 0.168 0.000 1.158 601 I CB 1.838 39.955 38.000 0.195 0.000 1.315 601 I HN 0.272 nan 8.210 nan 0.000 0.451 602 V N 6.477 126.488 119.914 0.162 0.000 2.444 602 V HA 0.336 4.456 4.120 0.000 0.000 0.294 602 V C -0.092 176.049 176.094 0.078 0.000 1.022 602 V CA -0.854 61.508 62.300 0.103 0.000 0.850 602 V CB 1.934 33.821 31.823 0.106 0.000 0.992 602 V HN 0.622 nan 8.190 nan 0.000 0.426 603 K N 3.544 123.870 120.400 -0.124 0.000 2.234 603 K HA 0.800 5.120 4.320 0.000 0.000 0.277 603 K C -0.113 176.480 176.600 -0.013 0.000 1.038 603 K CA 0.136 56.213 56.287 -0.350 0.000 0.888 603 K CB 1.429 33.529 32.500 -0.666 0.000 1.091 603 K HN 0.891 nan 8.250 nan 0.000 0.467 604 A N 3.094 126.013 122.820 0.165 0.000 3.972 604 A HA 0.723 5.043 4.320 0.000 0.000 0.166 604 A C 0.004 177.756 177.584 0.281 0.000 0.722 604 A CA 0.058 52.222 52.037 0.211 0.000 1.045 604 A CB 0.362 19.436 19.000 0.124 0.000 1.949 604 A HN 0.733 nan 8.150 nan 0.000 0.853 605 G N -2.068 106.896 108.800 0.272 0.000 3.244 605 G HA2 0.371 4.331 3.960 0.000 0.000 0.197 605 G HA3 0.371 4.331 3.960 0.000 0.000 0.197 605 G C 0.850 175.943 174.900 0.321 0.000 1.531 605 G CA 0.830 46.100 45.100 0.284 0.000 0.747 605 G HN 0.713 nan 8.290 nan 0.000 0.763 606 Y N 0.130 120.444 120.300 0.022 0.000 2.102 606 Y HA 0.103 4.653 4.550 0.000 0.000 0.280 606 Y C 0.556 176.403 175.900 -0.088 0.000 1.178 606 Y CA 2.026 60.109 58.100 -0.028 0.000 1.146 606 Y CB 0.013 38.387 38.460 -0.143 0.000 0.968 606 Y HN 0.283 nan 8.280 nan 0.000 0.504 607 L N -1.112 119.824 121.223 -0.479 0.000 2.672 607 L HA 0.525 4.865 4.340 0.000 0.000 0.256 607 L C -2.042 174.032 176.870 -1.327 0.000 0.946 607 L CA -0.797 53.359 54.840 -1.140 0.000 0.889 607 L CB 1.917 43.554 42.059 -0.704 0.000 1.441 607 L HN -0.347 nan 8.230 nan 0.000 0.418 608 V N 5.448 124.319 119.914 -1.737 0.000 2.409 608 V HA 0.506 4.626 4.120 0.000 0.000 0.290 608 V C 0.720 176.484 176.094 -0.551 0.000 1.017 608 V CA -0.392 61.326 62.300 -0.970 0.000 0.841 608 V CB 1.340 32.655 31.823 -0.846 0.000 1.003 608 V HN 0.859 nan 8.190 nan 0.000 0.426 609 R N 2.329 122.622 120.500 -0.346 0.000 2.066 609 R HA 0.191 4.531 4.340 0.000 0.000 0.224 609 R C 0.677 176.924 176.300 -0.089 0.000 1.122 609 R CA 1.137 57.127 56.100 -0.184 0.000 0.974 609 R CB 0.234 30.448 30.300 -0.144 0.000 0.871 609 R HN 0.785 nan 8.270 nan 0.000 0.435 610 S N -1.486 114.172 115.700 -0.070 0.000 2.661 610 S HA 0.766 5.236 4.470 0.000 0.000 0.268 610 S C -1.624 172.978 174.600 0.004 0.000 1.162 610 S CA -0.711 57.486 58.200 -0.006 0.000 0.817 610 S CB 1.913 65.134 63.200 0.034 0.000 1.141 610 S HN 0.190 nan 8.310 nan 0.000 0.477 611 A N 0.425 123.273 122.820 0.046 0.000 2.604 611 A HA 0.908 5.228 4.320 0.000 0.000 0.295 611 A C -1.670 175.981 177.584 0.111 0.000 1.067 611 A CA -0.765 51.272 52.037 0.000 0.000 0.683 611 A CB 1.107 20.087 19.000 -0.034 0.000 1.281 611 A HN 2.196 nan 8.150 nan 0.000 0.407 612 Y N -1.020 119.300 120.300 0.033 0.000 2.604 612 Y HA 0.712 5.263 4.550 0.000 0.000 0.331 612 Y C -1.778 174.163 175.900 0.069 0.000 1.158 612 Y CA -1.389 56.724 58.100 0.021 0.000 1.056 612 Y CB 0.965 39.415 38.460 -0.016 0.000 1.330 612 Y HN 0.779 nan 8.280 nan 0.000 0.457 613 L N 3.118 124.482 121.223 0.234 0.000 2.272 613 L HA 0.578 4.918 4.340 0.000 0.000 0.289 613 L C -1.209 175.814 176.870 0.255 0.000 1.032 613 L CA -0.061 54.884 54.840 0.174 0.000 0.810 613 L CB 1.109 43.224 42.059 0.093 0.000 1.205 613 L HN 0.793 nan 8.230 nan 0.000 0.422 614 D N 4.461 125.034 120.400 0.288 0.000 2.446 614 D HA 0.590 5.230 4.640 0.000 0.000 0.251 614 D C 0.623 177.028 176.300 0.175 0.000 1.137 614 D CA 0.800 54.948 54.000 0.247 0.000 0.890 614 D CB 0.848 41.835 40.800 0.311 0.000 1.071 614 D HN 0.876 nan 8.370 nan 0.000 0.528 615 G N 4.519 113.389 108.800 0.118 0.000 2.543 615 G HA2 -0.360 3.600 3.960 0.000 0.000 0.286 615 G HA3 -0.360 3.600 3.960 0.000 0.000 0.286 615 G C 0.720 175.673 174.900 0.089 0.000 1.153 615 G CA 0.437 45.591 45.100 0.090 0.000 0.968 615 G HN 0.714 nan 8.290 nan 0.000 0.544 616 N N 1.721 120.471 118.700 0.083 0.000 2.235 616 N HA 0.229 4.969 4.740 0.000 0.000 0.209 616 N C -0.531 175.033 175.510 0.089 0.000 1.122 616 N CA 0.725 53.824 53.050 0.082 0.000 0.845 616 N CB 0.323 38.847 38.487 0.062 0.000 1.004 616 N HN 0.458 nan 8.380 nan 0.000 0.499 617 D N 1.150 121.603 120.400 0.089 0.000 2.280 617 D HA 0.150 4.790 4.640 0.000 0.000 0.236 617 D C -0.656 175.661 176.300 0.028 0.000 1.082 617 D CA -0.463 53.555 54.000 0.031 0.000 0.834 617 D CB 2.153 42.943 40.800 -0.016 0.000 1.100 617 D HN 0.104 nan 8.370 nan 0.000 0.486 618 L N 4.351 125.569 121.223 -0.010 0.000 2.261 618 L HA 0.183 4.523 4.340 0.000 0.000 0.289 618 L C -0.495 176.247 176.870 -0.213 0.000 1.059 618 L CA -0.182 54.624 54.840 -0.057 0.000 0.816 618 L CB 0.258 42.290 42.059 -0.044 0.000 1.191 618 L HN 0.303 nan 8.230 nan 0.000 0.431 619 H N 6.570 125.413 119.070 -0.379 0.000 2.489 619 H HA 0.446 5.003 4.556 0.000 0.000 0.322 619 H C -0.672 174.402 175.328 -0.425 0.000 1.091 619 H CA -0.326 55.404 56.048 -0.531 0.000 1.291 619 H CB 1.670 30.702 29.762 -1.217 0.000 1.436 619 H HN 0.545 nan 8.280 nan 0.000 0.480 620 I N 3.289 123.776 120.570 -0.138 0.000 2.466 620 I HA 0.073 4.243 4.170 0.000 0.000 0.289 620 I C -0.567 175.526 176.117 -0.040 0.000 1.026 620 I CA -0.877 60.373 61.300 -0.084 0.000 1.078 620 I CB 1.989 39.960 38.000 -0.049 0.000 1.249 620 I HN 0.329 nan 8.210 nan 0.000 0.429 621 Q N 4.869 124.642 119.800 -0.045 0.000 2.314 621 Q HA 0.790 5.130 4.340 0.000 0.000 0.259 621 Q C -0.700 175.215 176.000 -0.142 0.000 0.951 621 Q CA -0.267 55.513 55.803 -0.040 0.000 0.909 621 Q CB 2.007 30.743 28.738 -0.004 0.000 1.236 621 Q HN 0.753 nan 8.270 nan 0.000 0.444 622 A N 2.562 125.277 122.820 -0.176 0.000 2.593 622 A HA 0.805 5.125 4.320 0.000 0.000 0.290 622 A C -1.376 175.876 177.584 -0.552 0.000 1.126 622 A CA -0.781 50.988 52.037 -0.446 0.000 0.695 622 A CB 1.529 20.177 19.000 -0.587 0.000 1.290 622 A HN 0.570 nan 8.150 nan 0.000 0.414 623 D N -0.575 119.371 120.400 -0.757 0.000 2.457 623 D HA 0.770 5.410 4.640 0.000 0.000 0.240 623 D C -1.399 174.421 176.300 -0.799 0.000 1.041 623 D CA 0.331 54.027 54.000 -0.507 0.000 0.861 623 D CB 1.332 42.065 40.800 -0.111 0.000 1.394 623 D HN 0.286 nan 8.370 nan 0.000 0.473 624 F N 1.083 121.030 119.950 -0.005 0.000 2.578 624 F HA 0.329 4.856 4.527 0.000 0.000 0.311 624 F C 0.818 176.488 175.800 -0.218 0.000 1.094 624 F CA -0.952 57.027 58.000 -0.035 0.000 0.923 624 F CB 1.410 40.428 39.000 0.029 0.000 1.230 624 F HN 0.221 nan 8.300 nan 0.000 0.450 625 N N 0.954 119.498 118.700 -0.260 0.000 2.241 625 N HA 0.609 5.349 4.740 0.000 0.000 0.238 625 N C -0.811 174.124 175.510 -0.958 0.000 1.244 625 N CA 0.018 52.651 53.050 -0.695 0.000 0.880 625 N CB 1.111 39.229 38.487 -0.614 0.000 1.179 625 N HN 0.710 nan 8.380 nan 0.000 0.513 626 A N -0.775 121.644 122.820 -0.668 0.000 2.549 626 A HA 0.530 4.850 4.320 0.000 0.000 0.291 626 A C -0.966 176.627 177.584 0.015 0.000 1.034 626 A CA -0.681 51.156 52.037 -0.334 0.000 0.655 626 A CB -0.075 18.839 19.000 -0.143 0.000 1.299 626 A HN 0.032 nan 8.150 nan 0.000 0.427 627 T N 2.351 116.964 114.554 0.099 0.000 2.871 627 T HA 0.427 4.777 4.350 0.000 0.000 0.296 627 T C 0.043 174.785 174.700 0.071 0.000 0.998 627 T CA 1.090 63.242 62.100 0.085 0.000 1.162 627 T CB -0.213 68.695 68.868 0.067 0.000 0.947 627 T HN 0.648 nan 8.240 nan 0.000 0.536 628 T N 6.656 121.240 114.554 0.049 0.000 2.847 628 T HA 0.406 4.756 4.350 0.000 0.000 0.291 628 T C -2.580 172.163 174.700 0.072 0.000 0.998 628 T CA -1.296 60.872 62.100 0.114 0.000 0.967 628 T CB 1.629 70.692 68.868 0.326 0.000 0.954 628 T HN 0.221 nan 8.240 nan 0.000 0.441 629 P HA 0.329 nan 4.420 nan 0.000 0.275 629 P C -0.662 176.682 177.300 0.073 0.000 1.227 629 P CA -0.520 62.612 63.100 0.054 0.000 0.781 629 P CB 0.535 32.265 31.700 0.050 0.000 0.906 630 I N 2.735 123.343 120.570 0.063 0.000 2.530 630 I HA 0.416 4.587 4.170 0.000 0.000 0.297 630 I C 0.336 176.495 176.117 0.070 0.000 1.011 630 I CA -0.532 60.816 61.300 0.079 0.000 1.107 630 I CB 1.691 39.746 38.000 0.091 0.000 1.285 630 I HN 0.347 nan 8.210 nan 0.000 0.436 631 E N 4.026 124.260 120.200 0.057 0.000 2.290 631 E HA 0.550 4.900 4.350 0.000 0.000 0.274 631 E C -1.537 175.097 176.600 0.056 0.000 0.889 631 E CA -0.589 55.854 56.400 0.073 0.000 0.760 631 E CB 3.288 33.021 29.700 0.055 0.000 1.206 631 E HN 0.233 nan 8.360 nan 0.000 0.419 632 V N 3.197 123.152 119.914 0.068 0.000 2.407 632 V HA 0.311 4.431 4.120 0.000 0.000 0.291 632 V C -0.483 175.522 176.094 -0.149 0.000 1.018 632 V CA -0.792 61.470 62.300 -0.063 0.000 0.842 632 V CB 1.657 33.390 31.823 -0.150 0.000 0.996 632 V HN 0.414 nan 8.190 nan 0.000 0.426 633 V N 3.660 123.480 119.914 -0.157 0.000 2.370 633 V HA 0.779 4.899 4.120 0.000 0.000 0.283 633 V C 0.988 176.685 176.094 -0.662 0.000 1.023 633 V CA 0.445 62.616 62.300 -0.215 0.000 0.857 633 V CB 0.921 32.743 31.823 -0.002 0.000 0.985 633 V HN 1.199 nan 8.190 nan 0.000 0.443 634 G N 3.846 112.051 108.800 -0.991 0.000 2.140 634 G HA2 -0.007 3.953 3.960 0.000 0.000 0.211 634 G HA3 -0.007 3.953 3.960 0.000 0.000 0.211 634 G C 0.324 174.651 174.900 -0.956 0.000 1.013 634 G CA -0.071 43.959 45.100 -1.782 0.000 0.705 634 G HN 1.503 nan 8.290 nan 0.000 0.508 635 A N 0.416 122.743 122.820 -0.821 0.000 2.540 635 A HA 0.571 4.891 4.320 0.000 0.000 0.239 635 A C -0.800 176.511 177.584 -0.455 0.000 1.061 635 A CA -0.092 51.465 52.037 -0.800 0.000 0.758 635 A CB -0.036 18.018 19.000 -1.577 0.000 0.991 635 A HN 0.280 nan 8.150 nan 0.000 0.502 636 P HA 0.058 nan 4.420 nan 0.000 0.267 636 P C 0.962 178.231 177.300 -0.053 0.000 1.201 636 P CA 0.093 63.126 63.100 -0.113 0.000 0.775 636 P CB 0.536 32.200 31.700 -0.060 0.000 0.854 637 S N 1.705 117.405 115.700 0.001 0.000 2.383 637 S HA -0.133 4.337 4.470 0.000 0.000 0.229 637 S C 2.045 176.682 174.600 0.061 0.000 1.030 637 S CA 1.792 60.016 58.200 0.039 0.000 1.002 637 S CB -0.947 62.280 63.200 0.045 0.000 0.829 637 S HN 0.779 nan 8.310 nan 0.000 0.467 638 G N 0.735 109.566 108.800 0.053 0.000 2.650 638 G HA2 0.312 4.272 3.960 0.000 0.000 0.214 638 G HA3 0.312 4.272 3.960 0.000 0.000 0.214 638 G C 0.334 175.289 174.900 0.092 0.000 1.136 638 G CA 0.371 45.510 45.100 0.065 0.000 0.789 638 G HN 0.615 nan 8.290 nan 0.000 0.536 639 A N 0.115 122.999 122.820 0.107 0.000 2.409 639 A HA 0.576 4.896 4.320 0.000 0.000 0.267 639 A C 1.023 178.823 177.584 0.360 0.000 1.127 639 A CA -0.097 52.057 52.037 0.195 0.000 0.795 639 A CB 0.530 19.586 19.000 0.094 0.000 1.061 639 A HN 0.321 nan 8.150 nan 0.000 0.502 640 K N 1.377 121.934 120.400 0.261 0.000 2.424 640 K HA 0.120 4.440 4.320 0.000 0.000 0.198 640 K C -0.135 176.429 176.600 -0.059 0.000 1.190 640 K CA 0.147 56.502 56.287 0.114 0.000 0.935 640 K CB 0.325 32.848 32.500 0.038 0.000 1.087 640 K HN 0.715 nan 8.250 nan 0.000 0.524 641 N N 1.040 119.758 118.700 0.031 0.000 2.328 641 N HA 0.278 5.018 4.740 0.000 0.000 0.299 641 N C -1.552 173.999 175.510 0.067 0.000 1.179 641 N CA -0.617 52.388 53.050 -0.074 0.000 0.793 641 N CB 2.299 40.744 38.487 -0.070 0.000 1.366 641 N HN -0.111 nan 8.380 nan 0.000 0.493 642 L N 1.244 122.465 121.223 -0.003 0.000 2.305 642 L HA 0.515 4.855 4.340 0.000 0.000 0.284 642 L C -1.290 175.531 176.870 -0.080 0.000 1.013 642 L CA -0.614 54.275 54.840 0.083 0.000 0.819 642 L CB 1.364 43.529 42.059 0.177 0.000 1.227 642 L HN 0.242 nan 8.230 nan 0.000 0.417 643 V N 6.890 126.687 119.914 -0.196 0.000 2.407 643 V HA 0.478 4.598 4.120 0.000 0.000 0.291 643 V C -0.059 175.938 176.094 -0.162 0.000 1.018 643 V CA -0.417 61.725 62.300 -0.263 0.000 0.842 643 V CB 1.493 32.951 31.823 -0.610 0.000 0.996 643 V HN 0.593 nan 8.190 nan 0.000 0.426 644 I N 4.799 125.333 120.570 -0.061 0.000 2.362 644 I HA 0.439 4.609 4.170 0.000 0.000 0.289 644 I C 0.183 176.325 176.117 0.042 0.000 0.994 644 I CA -0.587 60.720 61.300 0.012 0.000 1.158 644 I CB 1.365 39.395 38.000 0.049 0.000 1.315 644 I HN 0.659 nan 8.210 nan 0.000 0.451 645 N N 5.118 123.860 118.700 0.070 0.000 2.727 645 N HA -0.201 4.539 4.740 0.000 0.000 0.249 645 N C 0.891 176.442 175.510 0.067 0.000 1.048 645 N CA 1.354 54.449 53.050 0.075 0.000 0.714 645 N CB -1.137 37.401 38.487 0.085 0.000 0.959 645 N HN 1.138 nan 8.380 nan 0.000 0.544 646 G N -1.665 107.198 108.800 0.105 0.000 2.184 646 G HA2 -0.372 3.588 3.960 0.000 0.000 0.264 646 G HA3 -0.372 3.588 3.960 0.000 0.000 0.264 646 G C -0.048 174.880 174.900 0.047 0.000 0.975 646 G CA 0.835 46.002 45.100 0.112 0.000 0.642 646 G HN 0.535 nan 8.290 nan 0.000 0.536 647 K N 0.925 121.329 120.400 0.006 0.000 2.307 647 K HA 0.380 4.700 4.320 0.000 0.000 0.263 647 K C 0.207 176.776 176.600 -0.052 0.000 0.973 647 K CA -0.757 55.517 56.287 -0.022 0.000 0.846 647 K CB 1.452 33.934 32.500 -0.031 0.000 1.100 647 K HN 0.160 nan 8.250 nan 0.000 0.438 648 K N 1.927 122.294 120.400 -0.055 0.000 2.484 648 K HA 0.030 4.350 4.320 0.000 0.000 0.280 648 K C -0.242 176.315 176.600 -0.072 0.000 1.013 648 K CA 0.564 56.806 56.287 -0.074 0.000 1.029 648 K CB 0.321 32.784 32.500 -0.062 0.000 0.902 648 K HN 0.463 nan 8.250 nan 0.000 0.481 649 T N 2.666 117.173 114.554 -0.079 0.000 2.829 649 T HA 0.097 4.447 4.350 0.000 0.000 0.280 649 T C -0.435 174.213 174.700 -0.086 0.000 0.999 649 T CA -0.734 61.322 62.100 -0.074 0.000 0.983 649 T CB 1.561 70.393 68.868 -0.060 0.000 0.968 649 T HN 0.491 nan 8.240 nan 0.000 0.446 650 Q N 2.557 122.307 119.800 -0.083 0.000 2.271 650 Q HA 0.330 4.670 4.340 0.000 0.000 0.273 650 Q C -0.187 175.752 176.000 -0.102 0.000 1.051 650 Q CA -0.065 55.682 55.803 -0.094 0.000 0.901 650 Q CB 0.268 28.961 28.738 -0.076 0.000 1.174 650 Q HN 0.823 nan 8.270 nan 0.000 0.385 651 T N 1.343 115.806 114.554 -0.152 0.000 2.907 651 T HA 0.664 5.014 4.350 0.000 0.000 0.292 651 T C -0.791 173.787 174.700 -0.203 0.000 1.043 651 T CA -1.029 60.967 62.100 -0.173 0.000 1.003 651 T CB 1.871 70.578 68.868 -0.268 0.000 1.084 651 T HN 0.540 nan 8.240 nan 0.000 0.483 652 K N 0.769 121.077 120.400 -0.153 0.000 2.385 652 K HA 0.713 5.033 4.320 0.000 0.000 0.248 652 K C -1.009 175.526 176.600 -0.108 0.000 0.955 652 K CA -1.136 55.073 56.287 -0.130 0.000 0.816 652 K CB 2.647 35.107 32.500 -0.066 0.000 1.250 652 K HN 0.705 nan 8.250 nan 0.000 0.434 653 V N -0.843 119.015 119.914 -0.093 0.000 2.540 653 V HA 0.479 4.599 4.120 0.000 0.000 0.302 653 V C -0.722 175.387 176.094 0.026 0.000 1.035 653 V CA -0.842 61.454 62.300 -0.005 0.000 0.873 653 V CB 1.447 33.260 31.823 -0.018 0.000 0.992 653 V HN 0.876 nan 8.190 nan 0.000 0.428 654 D N 3.384 123.824 120.400 0.068 0.000 2.437 654 D HA 0.275 4.915 4.640 0.000 0.000 0.259 654 D C 0.957 177.292 176.300 0.058 0.000 1.118 654 D CA -0.764 53.268 54.000 0.054 0.000 1.017 654 D CB 1.201 42.033 40.800 0.053 0.000 1.120 654 D HN 0.485 nan 8.370 nan 0.000 0.541 655 K N -0.182 120.242 120.400 0.041 0.000 2.160 655 K HA -0.139 4.181 4.320 0.000 0.000 0.206 655 K C 0.474 177.106 176.600 0.054 0.000 1.047 655 K CA 0.942 57.253 56.287 0.039 0.000 0.930 655 K CB -0.297 32.218 32.500 0.024 0.000 0.720 655 K HN 0.422 nan 8.250 nan 0.000 0.450 656 N N -0.011 118.725 118.700 0.061 0.000 2.370 656 N HA 0.004 4.744 4.740 0.000 0.000 0.198 656 N C 0.680 176.264 175.510 0.122 0.000 1.156 656 N CA 0.876 53.976 53.050 0.084 0.000 0.839 656 N CB 0.563 39.087 38.487 0.062 0.000 0.989 656 N HN 0.446 nan 8.380 nan 0.000 0.468 657 G N 1.138 110.012 108.800 0.123 0.000 2.148 657 G HA2 -0.280 3.680 3.960 0.000 0.000 0.254 657 G HA3 -0.280 3.680 3.960 0.000 0.000 0.254 657 G C 0.122 175.140 174.900 0.197 0.000 0.981 657 G CA -0.195 44.998 45.100 0.154 0.000 0.670 657 G HN 0.352 nan 8.290 nan 0.000 0.528 658 I N 0.401 121.087 120.570 0.193 0.000 2.416 658 I HA 0.267 4.437 4.170 0.000 0.000 0.288 658 I C 0.507 176.815 176.117 0.319 0.000 1.051 658 I CA -0.677 60.751 61.300 0.212 0.000 1.375 658 I CB 0.395 38.512 38.000 0.195 0.000 1.407 658 I HN 0.005 nan 8.210 nan 0.000 0.516 659 W N 5.623 126.925 121.300 0.004 0.000 2.287 659 W HA 0.347 5.007 4.660 0.000 0.000 0.313 659 W C 0.444 176.962 176.519 -0.002 0.000 1.267 659 W CA -0.752 56.587 57.345 -0.010 0.000 1.201 659 W CB 0.894 30.336 29.460 -0.030 0.000 1.196 659 W HN 0.439 nan 8.180 nan 0.000 0.536 660 S N 1.703 117.507 115.700 0.174 0.000 2.542 660 S HA 0.992 5.462 4.470 0.000 0.000 0.293 660 S C -0.627 174.003 174.600 0.050 0.000 1.089 660 S CA -0.623 57.638 58.200 0.101 0.000 0.961 660 S CB 2.551 65.791 63.200 0.068 0.000 1.062 660 S HN 0.838 nan 8.310 nan 0.000 0.483 661 A N 0.983 123.828 122.820 0.042 0.000 2.493 661 A HA 0.927 5.247 4.320 0.000 0.000 0.300 661 A C -0.786 176.799 177.584 0.002 0.000 1.152 661 A CA -0.589 51.453 52.037 0.008 0.000 0.643 661 A CB 0.977 19.982 19.000 0.007 0.000 1.316 661 A HN 1.596 nan 8.150 nan 0.000 0.469 662 S N -1.050 114.633 115.700 -0.029 0.000 2.533 662 S HA 0.617 5.087 4.470 0.000 0.000 0.271 662 S C -1.820 172.712 174.600 -0.114 0.000 1.143 662 S CA -0.332 57.840 58.200 -0.047 0.000 0.891 662 S CB 1.580 64.761 63.200 -0.032 0.000 1.105 662 S HN 1.373 nan 8.310 nan 0.000 0.468 663 V N 3.750 123.546 119.914 -0.196 0.000 2.384 663 V HA 0.762 4.882 4.120 0.000 0.000 0.287 663 V C 0.610 176.541 176.094 -0.271 0.000 1.020 663 V CA -0.581 61.495 62.300 -0.374 0.000 0.850 663 V CB 1.013 32.271 31.823 -0.941 0.000 0.987 663 V HN 1.067 nan 8.190 nan 0.000 0.436 664 A N 4.746 127.459 122.820 -0.179 0.000 2.340 664 A HA 0.682 5.002 4.320 0.000 0.000 0.268 664 A C -1.043 176.531 177.584 -0.017 0.000 1.100 664 A CA -0.160 51.834 52.037 -0.072 0.000 0.803 664 A CB 0.367 19.332 19.000 -0.058 0.000 1.043 664 A HN 0.943 nan 8.150 nan 0.000 0.488 665 Y N 0.724 120.989 120.300 -0.060 0.000 2.406 665 Y HA 0.565 5.115 4.550 0.000 0.000 0.340 665 Y C -0.547 175.368 175.900 0.025 0.000 0.975 665 Y CA -0.247 57.853 58.100 0.000 0.000 1.056 665 Y CB 2.168 40.649 38.460 0.036 0.000 1.210 665 Y HN 0.555 nan 8.280 nan 0.000 0.448 666 T N 5.874 120.079 114.554 -0.581 0.000 2.906 666 T HA 0.569 4.919 4.350 0.000 0.000 0.302 666 T C -0.561 173.770 174.700 -0.615 0.000 1.002 666 T CA -0.462 61.398 62.100 -0.399 0.000 0.988 666 T CB 0.794 69.549 68.868 -0.188 0.000 0.972 666 T HN 0.903 nan 8.240 nan 0.000 0.447 667 A N 6.202 128.747 122.820 -0.458 0.000 2.563 667 A HA 0.372 4.692 4.320 0.000 0.000 0.256 667 A C -1.422 175.989 177.584 -0.290 0.000 1.056 667 A CA -0.521 51.344 52.037 -0.286 0.000 0.775 667 A CB -0.470 18.529 19.000 -0.002 0.000 0.973 667 A HN 0.543 nan 8.150 nan 0.000 0.516 668 P HA 0.313 nan 4.420 nan 0.000 0.276 668 P C -0.613 176.518 177.300 -0.282 0.000 1.252 668 P CA -0.700 62.163 63.100 -0.396 0.000 0.802 668 P CB 0.777 32.042 31.700 -0.725 0.000 1.035 669 K N 0.987 121.260 120.400 -0.211 0.000 2.339 669 K HA 0.266 4.586 4.320 0.000 0.000 0.286 669 K C -1.043 175.448 176.600 -0.181 0.000 1.050 669 K CA -0.165 56.024 56.287 -0.164 0.000 0.956 669 K CB -0.238 32.188 32.500 -0.123 0.000 0.990 669 K HN 0.149 nan 8.250 nan 0.000 0.475 670 V N 6.334 126.144 119.914 -0.172 0.000 2.304 670 V HA 0.219 4.339 4.120 0.000 0.000 0.278 670 V C -0.437 175.554 176.094 -0.172 0.000 1.018 670 V CA -0.694 61.495 62.300 -0.186 0.000 0.814 670 V CB 0.932 32.641 31.823 -0.189 0.000 1.021 670 V HN 0.745 nan 8.190 nan 0.000 0.440 671 Q N 5.033 124.734 119.800 -0.166 0.000 2.314 671 Q HA 0.593 4.933 4.340 0.000 0.000 0.257 671 Q C -0.933 174.953 176.000 -0.190 0.000 0.975 671 Q CA -0.015 55.694 55.803 -0.156 0.000 0.933 671 Q CB 1.399 30.062 28.738 -0.125 0.000 1.195 671 Q HN 0.627 nan 8.270 nan 0.000 0.426 672 L N 4.186 125.282 121.223 -0.210 0.000 2.333 672 L HA 0.629 4.969 4.340 0.000 0.000 0.269 672 L C -1.913 174.786 176.870 -0.285 0.000 1.010 672 L CA -2.251 52.422 54.840 -0.277 0.000 0.818 672 L CB 1.390 43.263 42.059 -0.309 0.000 1.306 672 L HN 0.507 nan 8.230 nan 0.000 0.430 673 P HA 0.063 nan 4.420 nan 0.000 0.274 673 P C -0.782 176.328 177.300 -0.317 0.000 1.237 673 P CA -0.390 62.501 63.100 -0.349 0.000 0.793 673 P CB 1.389 32.786 31.700 -0.505 0.000 0.977 674 S N 1.478 117.048 115.700 -0.217 0.000 2.415 674 S HA 0.184 4.654 4.470 0.000 0.000 0.313 674 S C 1.509 176.032 174.600 -0.130 0.000 1.067 674 S CA -0.777 57.319 58.200 -0.174 0.000 1.099 674 S CB -0.717 62.402 63.200 -0.135 0.000 0.991 674 S HN 0.348 nan 8.310 nan 0.000 0.491 675 L N 4.978 126.132 121.223 -0.114 0.000 2.043 675 L HA -0.197 4.143 4.340 0.000 0.000 0.212 675 L C 2.601 179.676 176.870 0.342 0.000 1.075 675 L CA 1.739 56.644 54.840 0.108 0.000 0.752 675 L CB -0.619 41.506 42.059 0.109 0.000 0.891 675 L HN 0.713 nan 8.230 nan 0.000 0.432 676 K N -0.639 119.752 120.400 -0.015 0.000 2.280 676 K HA -0.076 4.244 4.320 0.000 0.000 0.202 676 K C 1.677 178.197 176.600 -0.133 0.000 1.047 676 K CA 1.569 57.549 56.287 -0.511 0.000 0.942 676 K CB -0.237 31.669 32.500 -0.990 0.000 0.739 676 K HN 0.079 nan 8.250 nan 0.000 0.457 677 S N 0.751 116.423 115.700 -0.047 0.000 2.575 677 S HA 0.216 4.686 4.470 0.000 0.000 0.215 677 S C 0.580 175.199 174.600 0.032 0.000 0.966 677 S CA -0.385 57.805 58.200 -0.017 0.000 0.911 677 S CB -0.105 63.058 63.200 -0.061 0.000 0.780 677 S HN 0.154 nan 8.310 nan 0.000 0.514 678 L N 1.522 122.784 121.223 0.065 0.000 2.472 678 L HA 0.295 4.635 4.340 0.000 0.000 0.260 678 L C 0.436 177.301 176.870 -0.008 0.000 1.209 678 L CA -0.557 54.248 54.840 -0.059 0.000 0.817 678 L CB 0.274 42.183 42.059 -0.250 0.000 1.106 678 L HN -0.065 nan 8.230 nan 0.000 0.479 679 K N 0.965 121.313 120.400 -0.086 0.000 2.284 679 K HA 0.188 4.508 4.320 0.000 0.000 0.287 679 K C -1.526 175.078 176.600 0.006 0.000 1.081 679 K CA 0.028 56.331 56.287 0.026 0.000 0.910 679 K CB 0.206 32.709 32.500 0.005 0.000 1.088 679 K HN 0.221 nan 8.250 nan 0.000 0.478 680 W N 4.256 125.656 121.300 0.167 0.000 2.512 680 W HA 0.461 5.121 4.660 0.000 0.000 0.335 680 W C -0.083 176.587 176.519 0.251 0.000 1.088 680 W CA -0.676 56.811 57.345 0.236 0.000 1.236 680 W CB 1.215 30.852 29.460 0.295 0.000 1.307 680 W HN 0.170 nan 8.180 nan 0.000 0.567 681 K N 1.766 122.508 120.400 0.570 0.000 2.371 681 K HA 0.653 4.973 4.320 0.000 0.000 0.251 681 K C -0.536 176.439 176.600 0.627 0.000 0.934 681 K CA -0.773 55.819 56.287 0.508 0.000 0.798 681 K CB 1.836 34.562 32.500 0.377 0.000 1.204 681 K HN 0.523 nan 8.250 nan 0.000 0.427 682 S N -0.534 115.416 115.700 0.417 0.000 2.588 682 S HA 0.745 5.215 4.470 0.000 0.000 0.275 682 S C -1.158 173.245 174.600 -0.329 0.000 1.130 682 S CA -0.774 57.409 58.200 -0.029 0.000 0.855 682 S CB 2.004 64.957 63.200 -0.412 0.000 1.116 682 S HN 0.307 nan 8.310 nan 0.000 0.472 683 V N 0.878 120.404 119.914 -0.647 0.000 3.012 683 V HA 0.494 4.615 4.120 0.000 0.000 0.307 683 V C -1.615 174.248 176.094 -0.384 0.000 1.166 683 V CA -0.703 61.181 62.300 -0.692 0.000 0.974 683 V CB 2.035 33.055 31.823 -1.339 0.000 1.040 683 V HN 1.141 nan 8.190 nan 0.000 0.428 684 D N 3.044 123.281 120.400 -0.272 0.000 2.401 684 D HA 0.115 4.755 4.640 0.000 0.000 0.254 684 D C 0.467 176.682 176.300 -0.141 0.000 1.192 684 D CA 0.746 54.628 54.000 -0.198 0.000 0.885 684 D CB 1.682 42.364 40.800 -0.197 0.000 1.147 684 D HN 0.717 nan 8.370 nan 0.000 0.478 685 T N 3.992 118.495 114.554 -0.086 0.000 3.243 685 T HA 0.183 4.534 4.350 0.000 0.000 0.264 685 T C 0.126 174.749 174.700 -0.129 0.000 1.000 685 T CA -0.383 61.729 62.100 0.019 0.000 0.901 685 T CB -0.433 68.484 68.868 0.080 0.000 1.083 685 T HN 0.240 nan 8.240 nan 0.000 0.559 686 L N 2.729 123.789 121.223 -0.271 0.000 2.913 686 L HA 0.491 4.831 4.340 0.000 0.000 0.283 686 L C -1.912 174.679 176.870 -0.465 0.000 1.336 686 L CA -1.664 52.930 54.840 -0.411 0.000 0.815 686 L CB 1.436 43.171 42.059 -0.540 0.000 1.188 686 L HN -0.115 nan 8.230 nan 0.000 0.551 687 P HA -0.131 nan 4.420 nan 0.000 0.228 687 P C 0.644 177.652 177.300 -0.485 0.000 1.151 687 P CA 0.941 63.779 63.100 -0.436 0.000 0.770 687 P CB 0.516 31.917 31.700 -0.498 0.000 0.786 688 E N 0.829 120.582 120.200 -0.745 0.000 2.265 688 E HA -0.064 4.286 4.350 0.000 0.000 0.196 688 E C 1.935 178.258 176.600 -0.461 0.000 0.996 688 E CA 1.153 57.058 56.400 -0.825 0.000 0.832 688 E CB -0.892 28.399 29.700 -0.682 0.000 0.756 688 E HN 0.250 nan 8.360 nan 0.000 0.491 689 A N 0.569 123.097 122.820 -0.486 0.000 2.291 689 A HA 0.047 4.367 4.320 0.000 0.000 0.220 689 A C 0.157 177.595 177.584 -0.242 0.000 1.262 689 A CA 0.149 51.923 52.037 -0.437 0.000 0.867 689 A CB -0.120 18.420 19.000 -0.766 0.000 0.888 689 A HN -0.044 nan 8.150 nan 0.000 0.487 690 K N -0.092 120.200 120.400 -0.181 0.000 2.316 690 K HA 0.289 4.609 4.320 0.000 0.000 0.251 690 K C -0.186 176.381 176.600 -0.055 0.000 0.934 690 K CA -0.902 55.326 56.287 -0.099 0.000 0.802 690 K CB 1.175 33.622 32.500 -0.088 0.000 1.171 690 K HN 0.037 nan 8.250 nan 0.000 0.426 691 N N 0.724 119.393 118.700 -0.053 0.000 2.443 691 N HA -0.123 4.617 4.740 0.000 0.000 0.184 691 N C 1.319 176.797 175.510 -0.053 0.000 1.037 691 N CA 1.362 54.378 53.050 -0.057 0.000 0.896 691 N CB -0.042 38.406 38.487 -0.064 0.000 0.959 691 N HN 0.703 nan 8.380 nan 0.000 0.442 692 T N -3.264 111.266 114.554 -0.040 0.000 3.113 692 T HA -0.038 4.312 4.350 0.000 0.000 0.256 692 T C 0.669 175.336 174.700 -0.055 0.000 1.131 692 T CA -0.284 61.785 62.100 -0.051 0.000 1.074 692 T CB -0.459 68.381 68.868 -0.046 0.000 0.944 692 T HN 0.076 nan 8.240 nan 0.000 0.516 693 Y N 2.980 123.199 120.300 -0.134 0.000 2.526 693 Y HA 0.343 4.893 4.550 0.000 0.000 0.330 693 Y C -0.123 175.684 175.900 -0.155 0.000 1.156 693 Y CA -1.042 56.971 58.100 -0.145 0.000 1.419 693 Y CB 0.401 38.753 38.460 -0.180 0.000 1.250 693 Y HN 0.113 nan 8.280 nan 0.000 0.540 694 D N 4.494 124.355 120.400 -0.898 0.000 2.414 694 D HA 0.125 4.765 4.640 0.000 0.000 0.232 694 D C -0.567 175.254 176.300 -0.798 0.000 1.070 694 D CA -0.681 52.944 54.000 -0.625 0.000 0.839 694 D CB 0.689 41.254 40.800 -0.392 0.000 1.079 694 D HN 0.636 nan 8.370 nan 0.000 0.521 695 D N 1.263 121.317 120.400 -0.577 0.000 2.427 695 D HA -0.031 4.609 4.640 0.000 0.000 0.224 695 D C 1.147 177.204 176.300 -0.405 0.000 1.157 695 D CA -0.125 53.455 54.000 -0.701 0.000 0.828 695 D CB -0.115 39.988 40.800 -1.162 0.000 0.974 695 D HN 0.189 nan 8.370 nan 0.000 0.498 696 S N -0.205 115.332 115.700 -0.271 0.000 2.419 696 S HA -0.149 4.321 4.470 0.000 0.000 0.235 696 S C 1.971 176.522 174.600 -0.082 0.000 1.019 696 S CA 0.704 58.804 58.200 -0.167 0.000 0.982 696 S CB -0.405 62.709 63.200 -0.143 0.000 0.789 696 S HN 0.355 nan 8.310 nan 0.000 0.490 697 A N -0.199 122.583 122.820 -0.064 0.000 2.208 697 A HA 0.301 4.621 4.320 0.000 0.000 0.209 697 A C 0.404 177.932 177.584 -0.093 0.000 1.161 697 A CA -0.394 51.627 52.037 -0.026 0.000 0.782 697 A CB -0.519 18.521 19.000 0.067 0.000 0.816 697 A HN 0.566 nan 8.150 nan 0.000 0.477 698 W N 0.435 121.437 121.300 -0.497 0.000 2.079 698 W HA 0.328 4.988 4.660 0.000 0.000 0.354 698 W C 0.515 176.935 176.519 -0.165 0.000 1.302 698 W CA -0.092 56.986 57.345 -0.445 0.000 1.281 698 W CB -0.121 29.130 29.460 -0.348 0.000 1.165 698 W HN -0.080 nan 8.180 nan 0.000 0.603 699 T N 2.202 116.839 114.554 0.137 0.000 2.870 699 T HA 0.145 4.495 4.350 0.000 0.000 0.300 699 T C 0.044 174.771 174.700 0.046 0.000 0.989 699 T CA -0.302 61.868 62.100 0.116 0.000 1.139 699 T CB 0.261 69.238 68.868 0.182 0.000 0.920 699 T HN 0.232 nan 8.240 nan 0.000 0.537 700 S N 2.669 118.398 115.700 0.048 0.000 2.474 700 S HA 0.360 4.830 4.470 0.000 0.000 0.276 700 S C 0.747 175.302 174.600 -0.075 0.000 1.227 700 S CA -0.856 57.365 58.200 0.035 0.000 1.050 700 S CB 0.577 63.828 63.200 0.085 0.000 0.939 700 S HN 0.809 nan 8.310 nan 0.000 0.490 701 A N 3.366 126.096 122.820 -0.150 0.000 3.037 701 A HA 0.246 4.566 4.320 0.000 0.000 0.272 701 A C 0.678 178.306 177.584 0.073 0.000 1.723 701 A CA -0.630 51.188 52.037 -0.366 0.000 1.413 701 A CB -0.546 18.300 19.000 -0.257 0.000 1.112 701 A HN 0.773 nan 8.150 nan 0.000 0.606 702 D N -0.973 119.535 120.400 0.179 0.000 2.462 702 D HA 0.021 4.661 4.640 0.000 0.000 0.221 702 D C 0.002 176.492 176.300 0.317 0.000 1.173 702 D CA -0.156 53.992 54.000 0.247 0.000 0.831 702 D CB -0.859 40.075 40.800 0.223 0.000 1.001 702 D HN 0.663 nan 8.370 nan 0.000 0.499 703 H N 0.724 119.864 119.070 0.118 0.000 2.878 703 H HA 0.416 4.972 4.556 0.000 0.000 0.290 703 H C 0.522 175.731 175.328 -0.199 0.000 1.065 703 H CA -0.372 55.533 56.048 -0.237 0.000 1.477 703 H CB 1.417 30.686 29.762 -0.821 0.000 1.484 703 H HN 0.188 nan 8.280 nan 0.000 0.504 704 A N 5.058 127.956 122.820 0.129 0.000 2.543 704 A HA 0.135 4.455 4.320 0.000 0.000 0.258 704 A C -0.629 177.088 177.584 0.222 0.000 1.391 704 A CA -0.061 52.075 52.037 0.164 0.000 1.066 704 A CB -1.024 18.094 19.000 0.196 0.000 0.972 704 A HN 0.707 nan 8.150 nan 0.000 0.560 705 Y N -4.640 115.705 120.300 0.074 0.000 2.702 705 Y HA 0.692 5.242 4.550 0.000 0.000 0.336 705 Y C -0.683 175.237 175.900 0.034 0.000 1.203 705 Y CA -0.804 57.316 58.100 0.034 0.000 1.072 705 Y CB 0.393 38.860 38.460 0.013 0.000 1.327 705 Y HN -0.024 nan 8.280 nan 0.000 0.456 706 T N 0.060 114.691 114.554 0.127 0.000 2.907 706 T HA 0.425 4.775 4.350 0.000 0.000 0.292 706 T C -0.583 174.261 174.700 0.241 0.000 1.043 706 T CA -0.672 61.479 62.100 0.085 0.000 1.003 706 T CB 1.180 70.101 68.868 0.089 0.000 1.084 706 T HN 0.795 nan 8.240 nan 0.000 0.483 707 N N 2.045 120.875 118.700 0.216 0.000 2.236 707 N HA 0.185 4.925 4.740 0.000 0.000 0.196 707 N C 0.035 175.645 175.510 0.167 0.000 1.114 707 N CA -0.140 53.028 53.050 0.197 0.000 0.859 707 N CB 0.151 38.745 38.487 0.180 0.000 0.982 707 N HN 0.560 nan 8.380 nan 0.000 0.493 708 N N 0.489 119.318 118.700 0.216 0.000 2.402 708 N HA 0.005 4.745 4.740 0.000 0.000 0.252 708 N C 0.972 176.573 175.510 0.151 0.000 1.118 708 N CA -0.286 52.885 53.050 0.201 0.000 0.945 708 N CB 0.477 39.150 38.487 0.310 0.000 1.147 708 N HN 0.096 nan 8.380 nan 0.000 0.495 709 S N 2.170 117.916 115.700 0.076 0.000 2.515 709 S HA -0.068 4.402 4.470 0.000 0.000 0.231 709 S C 1.440 176.026 174.600 -0.024 0.000 0.987 709 S CA 0.529 58.747 58.200 0.030 0.000 0.936 709 S CB 0.166 63.367 63.200 0.002 0.000 0.766 709 S HN 0.580 nan 8.310 nan 0.000 0.528 710 A N 0.204 122.990 122.820 -0.056 0.000 2.303 710 A HA 0.402 4.722 4.320 0.000 0.000 0.217 710 A C 0.017 177.271 177.584 -0.549 0.000 1.205 710 A CA -0.175 51.702 52.037 -0.268 0.000 0.875 710 A CB -0.032 18.789 19.000 -0.299 0.000 0.910 710 A HN 0.642 nan 8.150 nan 0.000 0.501 711 H N -0.292 118.808 119.070 0.050 0.000 3.018 711 H HA 0.403 4.959 4.556 0.000 0.000 0.334 711 H C -0.249 175.209 175.328 0.217 0.000 0.983 711 H CA -0.219 55.888 56.048 0.099 0.000 1.363 711 H CB 1.552 31.325 29.762 0.019 0.000 1.668 711 H HN 0.209 nan 8.280 nan 0.000 0.513 712 S N 3.243 119.080 115.700 0.229 0.000 2.592 712 S HA 0.349 4.819 4.470 0.000 0.000 0.271 712 S C 0.232 174.945 174.600 0.188 0.000 1.326 712 S CA -0.951 57.354 58.200 0.174 0.000 1.024 712 S CB 0.773 64.029 63.200 0.094 0.000 0.921 712 S HN 0.465 nan 8.310 nan 0.000 0.527 713 L N 1.780 123.046 121.223 0.071 0.000 2.439 713 L HA 0.197 4.537 4.340 0.000 0.000 0.269 713 L C 1.293 178.154 176.870 -0.015 0.000 1.179 713 L CA -0.025 54.783 54.840 -0.053 0.000 0.828 713 L CB 0.277 42.250 42.059 -0.144 0.000 1.106 713 L HN 0.851 nan 8.230 nan 0.000 0.467 714 Q N 0.343 120.118 119.800 -0.042 0.000 2.164 714 Q HA 0.127 4.467 4.340 0.000 0.000 0.226 714 Q C -0.270 175.667 176.000 -0.105 0.000 0.813 714 Q CA -0.095 55.684 55.803 -0.040 0.000 0.978 714 Q CB 1.219 29.956 28.738 -0.002 0.000 1.149 714 Q HN 0.844 nan 8.270 nan 0.000 0.489 715 T N -3.857 110.621 114.554 -0.127 0.000 2.930 715 T HA 0.370 4.720 4.350 0.000 0.000 0.290 715 T C -2.277 172.388 174.700 -0.059 0.000 1.052 715 T CA -1.930 60.079 62.100 -0.151 0.000 1.017 715 T CB 1.715 70.521 68.868 -0.104 0.000 1.137 715 T HN -0.305 nan 8.240 nan 0.000 0.511 716 P HA -0.006 nan 4.420 nan 0.000 0.216 716 P C 0.718 178.068 177.300 0.084 0.000 1.153 716 P CA 1.328 64.473 63.100 0.076 0.000 0.858 716 P CB -0.062 31.732 31.700 0.158 0.000 0.789 717 T N -5.600 109.014 114.554 0.100 0.000 2.916 717 T HA 0.482 4.832 4.350 0.000 0.000 0.292 717 T C -0.249 174.434 174.700 -0.028 0.000 1.064 717 T CA -0.905 61.240 62.100 0.075 0.000 1.011 717 T CB 1.502 70.470 68.868 0.166 0.000 1.152 717 T HN -0.169 nan 8.240 nan 0.000 0.510 718 S N 0.397 116.061 115.700 -0.061 0.000 2.533 718 S HA 0.300 4.770 4.470 0.000 0.000 0.282 718 S C 0.315 174.921 174.600 0.010 0.000 1.304 718 S CA -0.696 57.390 58.200 -0.190 0.000 1.063 718 S CB -0.724 62.344 63.200 -0.219 0.000 0.881 718 S HN 0.605 nan 8.310 nan 0.000 0.493 719 L N 5.071 126.198 121.223 -0.160 0.000 3.202 719 L HA 0.379 4.719 4.340 0.000 0.000 0.278 719 L C -0.966 176.094 176.870 0.316 0.000 1.268 719 L CA -0.347 54.524 54.840 0.051 0.000 1.034 719 L CB 0.078 41.944 42.059 -0.322 0.000 1.407 719 L HN 0.519 nan 8.230 nan 0.000 0.581 720 F N 0.537 120.625 119.950 0.230 0.000 2.404 720 F HA 0.345 4.872 4.527 0.000 0.000 0.358 720 F C 1.445 177.445 175.800 0.333 0.000 1.120 720 F CA -1.149 56.965 58.000 0.190 0.000 1.144 720 F CB 1.033 40.093 39.000 0.100 0.000 1.133 720 F HN -0.009 nan 8.300 nan 0.000 0.495 721 A N 2.382 125.524 122.820 0.537 0.000 1.948 721 A HA -0.186 4.134 4.320 0.000 0.000 0.220 721 A C 2.294 180.097 177.584 0.365 0.000 1.177 721 A CA 2.203 54.511 52.037 0.452 0.000 0.636 721 A CB -0.649 18.551 19.000 0.333 0.000 0.815 721 A HN 0.648 nan 8.150 nan 0.000 0.449 722 S N -0.194 115.696 115.700 0.317 0.000 2.447 722 S HA -0.113 4.357 4.470 0.000 0.000 0.233 722 S C 1.393 176.134 174.600 0.234 0.000 1.006 722 S CA 1.040 59.434 58.200 0.324 0.000 0.957 722 S CB -0.349 63.074 63.200 0.372 0.000 0.773 722 S HN 0.568 nan 8.310 nan 0.000 0.507 723 D N 0.047 120.544 120.400 0.162 0.000 2.310 723 D HA -0.041 4.599 4.640 0.000 0.000 0.212 723 D C 0.384 176.469 176.300 -0.359 0.000 0.965 723 D CA 0.961 54.900 54.000 -0.101 0.000 0.879 723 D CB 0.028 40.649 40.800 -0.298 0.000 0.921 723 D HN 0.530 nan 8.370 nan 0.000 0.510 724 Y N -1.181 119.132 120.300 0.021 0.000 2.584 724 Y HA 0.339 4.889 4.550 0.000 0.000 0.254 724 Y C 1.677 177.360 175.900 -0.361 0.000 1.177 724 Y CA 0.007 58.044 58.100 -0.105 0.000 1.216 724 Y CB 0.975 39.408 38.460 -0.043 0.000 1.172 724 Y HN -0.061 nan 8.280 nan 0.000 0.529 725 G N -0.463 108.215 108.800 -0.204 0.000 2.141 725 G HA2 -0.309 3.651 3.960 0.000 0.000 0.242 725 G HA3 -0.309 3.651 3.960 0.000 0.000 0.242 725 G C -0.599 173.767 174.900 -0.890 0.000 0.982 725 G CA -0.370 44.459 45.100 -0.451 0.000 0.662 725 G HN 0.281 nan 8.290 nan 0.000 0.527 726 Y N 0.541 120.565 120.300 -0.460 0.000 2.417 726 Y HA 0.621 5.171 4.550 0.000 0.000 0.336 726 Y C 1.098 176.766 175.900 -0.387 0.000 0.961 726 Y CA -0.736 57.142 58.100 -0.371 0.000 1.215 726 Y CB 1.036 39.396 38.460 -0.166 0.000 1.120 726 Y HN 0.349 nan 8.280 nan 0.000 0.499 727 H N -0.485 118.679 119.070 0.158 0.000 2.893 727 H HA 0.231 4.787 4.556 0.000 0.000 0.270 727 H C 0.353 175.708 175.328 0.045 0.000 1.095 727 H CA -0.001 56.094 56.048 0.077 0.000 1.186 727 H CB 1.228 31.000 29.762 0.016 0.000 1.562 727 H HN 0.479 nan 8.280 nan 0.000 0.536 728 T N 0.184 114.812 114.554 0.124 0.000 2.909 728 T HA 0.519 4.869 4.350 0.000 0.000 0.299 728 T C 0.252 174.995 174.700 0.071 0.000 1.073 728 T CA 0.188 62.336 62.100 0.080 0.000 0.999 728 T CB 1.141 70.032 68.868 0.039 0.000 1.098 728 T HN 0.664 nan 8.240 nan 0.000 0.477 729 G N 2.078 110.928 108.800 0.083 0.000 2.697 729 G HA2 0.234 4.194 3.960 0.000 0.000 0.240 729 G HA3 0.234 4.194 3.960 0.000 0.000 0.240 729 G C 0.278 175.243 174.900 0.107 0.000 1.346 729 G CA -0.180 44.980 45.100 0.099 0.000 0.887 729 G HN 1.651 nan 8.290 nan 0.000 0.569 730 A N -0.659 122.229 122.820 0.112 0.000 2.546 730 A HA 0.513 4.833 4.320 0.000 0.000 0.243 730 A C 0.573 178.170 177.584 0.021 0.000 1.063 730 A CA 0.782 52.886 52.037 0.112 0.000 0.757 730 A CB -0.168 18.870 19.000 0.063 0.000 0.991 730 A HN 1.324 nan 8.150 nan 0.000 0.503 731 L N 2.402 123.672 121.223 0.077 0.000 2.346 731 L HA 0.591 4.931 4.340 0.000 0.000 0.276 731 L C -0.921 175.973 176.870 0.040 0.000 1.006 731 L CA -0.669 54.165 54.840 -0.011 0.000 0.817 731 L CB 1.705 43.848 42.059 0.139 0.000 1.272 731 L HN 0.552 nan 8.230 nan 0.000 0.421 732 L N 2.775 123.898 121.223 -0.166 0.000 2.386 732 L HA 0.597 4.937 4.340 0.000 0.000 0.271 732 L C -1.036 175.823 176.870 -0.019 0.000 0.993 732 L CA 0.038 54.906 54.840 0.046 0.000 0.819 732 L CB 1.840 43.942 42.059 0.072 0.000 1.294 732 L HN 0.225 nan 8.230 nan 0.000 0.414 733 F N 1.524 121.630 119.950 0.261 0.000 2.540 733 F HA 0.669 5.196 4.527 0.000 0.000 0.317 733 F C 0.023 176.027 175.800 0.338 0.000 1.104 733 F CA -0.701 57.493 58.000 0.323 0.000 0.913 733 F CB 1.969 41.089 39.000 0.200 0.000 1.170 733 F HN 0.206 nan 8.300 nan 0.000 0.450 734 R N 1.260 122.012 120.500 0.420 0.000 2.435 734 R HA 0.564 4.904 4.340 0.000 0.000 0.308 734 R C -0.320 175.849 176.300 -0.219 0.000 0.975 734 R CA -0.780 55.307 56.100 -0.023 0.000 0.867 734 R CB 1.882 31.963 30.300 -0.365 0.000 1.171 734 R HN 0.851 nan 8.270 nan 0.000 0.470 735 G N 3.068 111.434 108.800 -0.723 0.000 2.377 735 G HA2 0.224 4.184 3.960 0.000 0.000 0.316 735 G HA3 0.224 4.184 3.960 0.000 0.000 0.316 735 G C -0.474 173.939 174.900 -0.813 0.000 1.115 735 G CA -0.342 43.880 45.100 -1.464 0.000 0.952 735 G HN 0.558 nan 8.290 nan 0.000 0.441 736 H N 2.092 120.892 119.070 -0.451 0.000 2.502 736 H HA 0.500 5.056 4.556 0.000 0.000 0.327 736 H C -0.455 174.833 175.328 -0.065 0.000 1.099 736 H CA 0.221 56.125 56.048 -0.240 0.000 1.323 736 H CB 1.662 31.291 29.762 -0.222 0.000 1.450 736 H HN 0.576 nan 8.280 nan 0.000 0.502 737 F N -1.281 118.615 119.950 -0.090 0.000 2.693 737 F HA 0.360 4.887 4.527 0.000 0.000 0.309 737 F C -1.191 174.617 175.800 0.013 0.000 1.129 737 F CA -1.025 56.945 58.000 -0.051 0.000 0.948 737 F CB 1.031 39.983 39.000 -0.079 0.000 1.315 737 F HN 0.141 nan 8.300 nan 0.000 0.447 738 T N 2.599 117.216 114.554 0.105 0.000 2.743 738 T HA 0.708 5.058 4.350 0.000 0.000 0.292 738 T C 0.183 175.019 174.700 0.227 0.000 0.972 738 T CA -0.170 61.943 62.100 0.023 0.000 0.967 738 T CB 0.963 69.848 68.868 0.029 0.000 0.926 738 T HN 0.942 nan 8.240 nan 0.000 0.459 739 A N 3.321 126.270 122.820 0.215 0.000 2.466 739 A HA 0.327 4.647 4.320 0.000 0.000 0.238 739 A C 1.106 178.818 177.584 0.214 0.000 1.074 739 A CA -0.500 51.749 52.037 0.352 0.000 0.774 739 A CB 0.052 19.266 19.000 0.357 0.000 1.015 739 A HN 0.893 nan 8.150 nan 0.000 0.498 740 N N 0.085 118.894 118.700 0.182 0.000 2.171 740 N HA 0.291 5.031 4.740 0.000 0.000 0.212 740 N C 0.859 176.422 175.510 0.088 0.000 1.184 740 N CA 0.806 53.924 53.050 0.113 0.000 0.888 740 N CB 0.457 39.000 38.487 0.094 0.000 1.038 740 N HN 1.546 nan 8.380 nan 0.000 0.517 741 G N 0.709 109.567 108.800 0.097 0.000 2.179 741 G HA2 -0.367 3.593 3.960 0.000 0.000 0.260 741 G HA3 -0.367 3.593 3.960 0.000 0.000 0.260 741 G C 0.789 175.718 174.900 0.047 0.000 0.977 741 G CA 0.668 45.807 45.100 0.066 0.000 0.641 741 G HN 0.474 nan 8.290 nan 0.000 0.533 742 K N 0.285 120.715 120.400 0.050 0.000 2.374 742 K HA 0.209 4.529 4.320 0.000 0.000 0.196 742 K C 0.436 177.055 176.600 0.030 0.000 1.023 742 K CA 0.038 56.346 56.287 0.036 0.000 1.103 742 K CB 0.324 32.844 32.500 0.034 0.000 0.848 742 K HN 0.472 nan 8.250 nan 0.000 0.528 743 E N 1.200 121.420 120.200 0.033 0.000 2.413 743 E HA 0.001 4.351 4.350 0.000 0.000 0.263 743 E C 0.459 177.071 176.600 0.020 0.000 1.015 743 E CA 0.626 57.039 56.400 0.022 0.000 0.916 743 E CB 0.718 30.427 29.700 0.014 0.000 0.947 743 E HN 0.026 nan 8.360 nan 0.000 0.440 744 K N 0.180 120.599 120.400 0.031 0.000 2.665 744 K HA 0.108 4.428 4.320 0.000 0.000 0.197 744 K C -0.051 176.584 176.600 0.059 0.000 1.463 744 K CA 0.457 56.765 56.287 0.034 0.000 1.107 744 K CB 0.982 33.498 32.500 0.028 0.000 1.584 744 K HN 0.648 nan 8.250 nan 0.000 0.558 745 T N -1.599 113.005 114.554 0.084 0.000 2.896 745 T HA 0.596 4.946 4.350 0.000 0.000 0.297 745 T C -1.470 173.367 174.700 0.227 0.000 1.108 745 T CA -0.703 61.479 62.100 0.137 0.000 1.004 745 T CB 1.880 70.807 68.868 0.099 0.000 1.159 745 T HN 0.001 nan 8.240 nan 0.000 0.499 746 F N 2.767 122.783 119.950 0.111 0.000 2.553 746 F HA 0.671 5.198 4.527 0.000 0.000 0.335 746 F C -1.503 174.422 175.800 0.209 0.000 1.148 746 F CA -2.225 55.855 58.000 0.133 0.000 0.963 746 F CB 1.076 40.129 39.000 0.088 0.000 1.217 746 F HN 0.742 nan 8.300 nan 0.000 0.441 747 F N 7.100 126.799 119.950 -0.420 0.000 2.385 747 F HA 0.742 5.269 4.527 0.000 0.000 0.336 747 F C -1.501 173.915 175.800 -0.640 0.000 1.100 747 F CA -0.738 57.023 58.000 -0.398 0.000 1.116 747 F CB 1.286 40.139 39.000 -0.245 0.000 1.166 747 F HN 0.340 nan 8.300 nan 0.000 0.511 748 V N 5.968 124.977 119.914 -1.508 0.000 3.000 748 V HA 0.349 4.469 4.120 0.000 0.000 0.300 748 V C -1.776 173.719 176.094 -0.999 0.000 1.251 748 V CA -0.474 61.140 62.300 -1.143 0.000 0.972 748 V CB 2.070 33.525 31.823 -0.613 0.000 1.065 748 V HN 0.925 nan 8.190 nan 0.000 0.431 749 Q N 3.517 122.912 119.800 -0.675 0.000 2.327 749 Q HA 0.709 5.050 4.340 0.000 0.000 0.270 749 Q C -0.699 175.169 176.000 -0.221 0.000 1.022 749 Q CA -0.394 55.186 55.803 -0.371 0.000 0.773 749 Q CB 1.913 30.514 28.738 -0.228 0.000 1.251 749 Q HN 0.974 nan 8.270 nan 0.000 0.457 750 T N 0.866 115.362 114.554 -0.098 0.000 2.950 750 T HA 0.640 4.990 4.350 0.000 0.000 0.288 750 T C -0.678 173.962 174.700 -0.100 0.000 1.035 750 T CA -0.898 61.179 62.100 -0.038 0.000 1.028 750 T CB 1.884 70.878 68.868 0.211 0.000 1.109 750 T HN 0.548 nan 8.240 nan 0.000 0.514 751 K N -0.197 120.039 120.400 -0.273 0.000 2.581 751 K HA 0.559 4.880 4.320 0.000 0.000 0.249 751 K C 0.006 176.219 176.600 -0.644 0.000 0.966 751 K CA -0.717 55.253 56.287 -0.528 0.000 0.811 751 K CB 1.314 33.613 32.500 -0.335 0.000 1.223 751 K HN 0.933 nan 8.250 nan 0.000 0.438 752 G N 1.795 109.893 108.800 -1.171 0.000 3.815 752 G HA2 0.470 4.430 3.960 0.000 0.000 0.265 752 G HA3 0.470 4.430 3.960 0.000 0.000 0.265 752 G C 0.195 174.927 174.900 -0.281 0.000 1.026 752 G CA 0.061 44.824 45.100 -0.562 0.000 0.868 752 G HN 1.052 nan 8.290 nan 0.000 0.476 753 G N -0.198 108.412 108.800 -0.317 0.000 2.663 753 G HA2 0.106 4.066 3.960 0.000 0.000 0.686 753 G HA3 0.106 4.066 3.960 0.000 0.000 0.686 753 G C -0.152 174.756 174.900 0.015 0.000 1.246 753 G CA -0.512 44.525 45.100 -0.105 0.000 0.795 753 G HN 0.691 nan 8.290 nan 0.000 0.627 754 T N 1.146 115.710 114.554 0.016 0.000 2.891 754 T HA 0.461 4.811 4.350 0.000 0.000 0.296 754 T C 1.647 176.314 174.700 -0.055 0.000 1.025 754 T CA 2.548 64.673 62.100 0.042 0.000 1.149 754 T CB 0.526 69.419 68.868 0.041 0.000 1.007 754 T HN 2.497 nan 8.240 nan 0.000 0.528 755 A N 2.048 124.823 122.820 -0.076 0.000 3.172 755 A HA -0.185 4.135 4.320 0.000 0.000 0.263 755 A C 0.377 177.715 177.584 -0.410 0.000 1.215 755 A CA 1.304 53.123 52.037 -0.364 0.000 1.065 755 A CB -2.804 15.711 19.000 -0.809 0.000 1.148 755 A HN 1.175 nan 8.150 nan 0.000 0.904 756 Y N -0.558 119.575 120.300 -0.279 0.000 2.258 756 Y HA 0.582 5.132 4.550 0.000 0.000 0.345 756 Y C 0.729 176.489 175.900 -0.233 0.000 1.303 756 Y CA -0.906 57.067 58.100 -0.212 0.000 1.537 756 Y CB 0.080 38.519 38.460 -0.035 0.000 1.383 756 Y HN 1.126 nan 8.280 nan 0.000 0.606 757 G N -0.134 108.275 108.800 -0.653 0.000 2.692 757 G HA2 0.531 4.491 3.960 0.000 0.000 0.291 757 G HA3 0.531 4.491 3.960 0.000 0.000 0.291 757 G C -2.093 172.679 174.900 -0.214 0.000 1.423 757 G CA -0.822 43.782 45.100 -0.826 0.000 0.843 757 G HN 1.279 nan 8.290 nan 0.000 0.486 758 H N -1.859 117.199 119.070 -0.021 0.000 2.985 758 H HA 0.833 5.389 4.556 0.000 0.000 0.360 758 H C -1.524 174.028 175.328 0.374 0.000 1.221 758 H CA -0.957 55.308 56.048 0.363 0.000 1.121 758 H CB 2.016 32.024 29.762 0.410 0.000 1.854 758 H HN 0.463 nan 8.280 nan 0.000 0.551 759 S N 1.344 117.528 115.700 0.807 0.000 2.540 759 S HA 0.512 4.982 4.470 0.000 0.000 0.275 759 S C -0.662 174.087 174.600 0.249 0.000 1.123 759 S CA -0.684 57.815 58.200 0.498 0.000 0.907 759 S CB 1.417 65.073 63.200 0.760 0.000 1.081 759 S HN 0.483 nan 8.310 nan 0.000 0.476 760 I N 1.859 122.280 120.570 -0.249 0.000 2.608 760 I HA 0.571 4.741 4.170 0.000 0.000 0.295 760 I C -1.042 174.787 176.117 -0.479 0.000 1.049 760 I CA -0.562 60.606 61.300 -0.220 0.000 1.063 760 I CB 1.776 39.569 38.000 -0.345 0.000 1.248 760 I HN 0.418 nan 8.210 nan 0.000 0.424 761 W N 5.586 126.824 121.300 -0.104 0.000 3.033 761 W HA 0.553 5.213 4.660 0.000 0.000 0.336 761 W C -1.098 175.344 176.519 -0.128 0.000 1.173 761 W CA -0.725 56.571 57.345 -0.082 0.000 1.185 761 W CB 2.448 31.901 29.460 -0.012 0.000 1.425 761 W HN 0.232 nan 8.180 nan 0.000 0.536 762 I N 4.189 124.819 120.570 0.100 0.000 2.420 762 I HA 0.170 4.340 4.170 0.000 0.000 0.282 762 I C 0.114 176.277 176.117 0.077 0.000 1.019 762 I CA 0.256 61.565 61.300 0.015 0.000 1.130 762 I CB 0.141 38.108 38.000 -0.055 0.000 1.262 762 I HN 0.696 nan 8.210 nan 0.000 0.454 763 N N 4.216 122.940 118.700 0.040 0.000 1.347 763 N HA -0.322 4.418 4.740 0.000 0.000 0.148 763 N C 0.236 175.779 175.510 0.055 0.000 0.780 763 N CA 2.114 55.179 53.050 0.024 0.000 1.015 763 N CB -0.470 38.056 38.487 0.066 0.000 1.262 763 N HN 0.735 nan 8.380 nan 0.000 0.496 764 E N -0.369 119.873 120.200 0.071 0.000 2.479 764 E HA 0.135 4.485 4.350 0.000 0.000 0.193 764 E C -0.415 176.322 176.600 0.228 0.000 1.049 764 E CA 0.389 56.845 56.400 0.092 0.000 0.870 764 E CB 0.244 29.968 29.700 0.040 0.000 0.944 764 E HN 0.317 nan 8.360 nan 0.000 0.492 765 T N 1.333 116.022 114.554 0.225 0.000 2.743 765 T HA 0.081 4.431 4.350 0.000 0.000 0.293 765 T C -0.546 174.303 174.700 0.249 0.000 0.945 765 T CA -0.443 61.790 62.100 0.221 0.000 1.030 765 T CB 0.347 69.280 68.868 0.108 0.000 0.912 765 T HN 0.044 nan 8.240 nan 0.000 0.483 766 Y N 3.880 124.218 120.300 0.063 0.000 2.511 766 Y HA 0.211 4.761 4.550 0.000 0.000 0.332 766 Y C 0.740 176.464 175.900 -0.294 0.000 1.177 766 Y CA -0.091 57.794 58.100 -0.358 0.000 1.422 766 Y CB 0.372 38.671 38.460 -0.267 0.000 1.271 766 Y HN 0.430 nan 8.280 nan 0.000 0.550 767 V N 4.323 123.635 119.914 -1.003 0.000 2.743 767 V HA 0.467 4.587 4.120 0.000 0.000 0.237 767 V C 0.899 176.372 176.094 -1.035 0.000 1.113 767 V CA 0.892 62.731 62.300 -0.768 0.000 1.141 767 V CB -0.096 31.370 31.823 -0.594 0.000 0.873 767 V HN 1.050 nan 8.190 nan 0.000 0.486 768 G N -1.068 106.822 108.800 -1.517 0.000 2.328 768 G HA2 0.491 4.451 3.960 0.000 0.000 0.295 768 G HA3 0.491 4.451 3.960 0.000 0.000 0.295 768 G C -1.525 173.064 174.900 -0.519 0.000 1.413 768 G CA -0.075 44.454 45.100 -0.953 0.000 0.817 768 G HN 0.081 nan 8.290 nan 0.000 0.546 769 S N -0.675 115.022 115.700 -0.005 0.000 2.569 769 S HA 0.666 5.136 4.470 0.000 0.000 0.280 769 S C -1.514 173.152 174.600 0.110 0.000 1.111 769 S CA -0.632 57.641 58.200 0.123 0.000 0.887 769 S CB 2.060 65.339 63.200 0.131 0.000 1.095 769 S HN 0.741 nan 8.310 nan 0.000 0.476 770 W N 3.088 124.154 121.300 -0.390 0.000 2.296 770 W HA 0.514 5.174 4.660 0.000 0.000 0.316 770 W C 0.287 176.493 176.519 -0.522 0.000 1.022 770 W CA -0.882 56.135 57.345 -0.546 0.000 1.324 770 W CB 0.938 29.779 29.460 -1.032 0.000 1.227 770 W HN 0.863 nan 8.180 nan 0.000 0.409 771 A N 4.957 127.223 122.820 -0.922 0.000 2.168 771 A HA 0.337 4.657 4.320 0.000 0.000 0.215 771 A C 1.129 177.956 177.584 -1.263 0.000 1.152 771 A CA 1.248 52.727 52.037 -0.929 0.000 0.716 771 A CB -0.883 17.745 19.000 -0.619 0.000 0.794 771 A HN 1.324 nan 8.150 nan 0.000 0.465 772 G N -1.755 105.731 108.800 -2.191 0.000 2.781 772 G HA2 0.254 4.214 3.960 0.000 0.000 0.683 772 G HA3 0.254 4.214 3.960 0.000 0.000 0.683 772 G C -0.117 174.225 174.900 -0.930 0.000 1.390 772 G CA 0.102 44.211 45.100 -1.652 0.000 0.850 772 G HN 1.958 nan 8.290 nan 0.000 0.557 773 T N -3.605 110.693 114.554 -0.427 0.000 2.816 773 T HA 0.773 5.123 4.350 0.000 0.000 0.299 773 T C 1.467 176.104 174.700 -0.105 0.000 1.230 773 T CA 0.707 62.675 62.100 -0.220 0.000 1.007 773 T CB 1.177 70.008 68.868 -0.061 0.000 1.289 773 T HN 2.200 nan 8.240 nan 0.000 0.508 774 S N 0.281 115.948 115.700 -0.055 0.000 2.555 774 S HA 0.017 4.487 4.470 0.000 0.000 0.230 774 S C 1.505 176.135 174.600 0.051 0.000 0.978 774 S CA 0.741 58.952 58.200 0.018 0.000 0.934 774 S CB -1.089 62.133 63.200 0.038 0.000 0.766 774 S HN 0.912 nan 8.310 nan 0.000 0.533 775 I N -2.458 118.145 120.570 0.054 0.000 4.147 775 I HA 0.495 4.665 4.170 0.000 0.000 0.329 775 I C -0.719 175.454 176.117 0.095 0.000 1.424 775 I CA -0.890 60.451 61.300 0.069 0.000 1.127 775 I CB -0.197 37.837 38.000 0.056 0.000 1.128 775 I HN -0.044 nan 8.210 nan 0.000 0.417 776 N N 2.278 121.065 118.700 0.144 0.000 2.372 776 N HA 0.232 4.972 4.740 0.000 0.000 0.285 776 N C -0.180 175.491 175.510 0.267 0.000 1.008 776 N CA -0.508 52.670 53.050 0.213 0.000 0.880 776 N CB 1.400 40.111 38.487 0.374 0.000 1.239 776 N HN 0.227 nan 8.380 nan 0.000 0.484 777 D N 0.608 121.115 120.400 0.178 0.000 2.407 777 D HA -0.008 4.632 4.640 0.000 0.000 0.208 777 D C -0.370 175.903 176.300 -0.044 0.000 1.083 777 D CA 0.263 54.323 54.000 0.100 0.000 0.844 777 D CB 0.132 40.920 40.800 -0.019 0.000 0.967 777 D HN 0.571 nan 8.370 nan 0.000 0.506 778 N N -0.487 118.279 118.700 0.110 0.000 2.825 778 N HA 0.324 5.065 4.740 0.000 0.000 0.253 778 N C -1.834 173.685 175.510 0.014 0.000 1.426 778 N CA -0.601 52.455 53.050 0.009 0.000 0.851 778 N CB 1.743 40.163 38.487 -0.113 0.000 1.470 778 N HN -0.021 nan 8.380 nan 0.000 0.517 779 N N -0.381 118.259 118.700 -0.100 0.000 2.371 779 N HA 0.353 5.093 4.740 0.000 0.000 0.280 779 N C -2.094 173.245 175.510 -0.287 0.000 1.084 779 N CA -0.478 52.309 53.050 -0.438 0.000 0.892 779 N CB 1.456 39.244 38.487 -1.166 0.000 1.653 779 N HN 0.462 nan 8.380 nan 0.000 0.480 780 N N 1.377 119.907 118.700 -0.282 0.000 2.408 780 N HA 0.734 5.474 4.740 0.000 0.000 0.280 780 N C -1.414 173.973 175.510 -0.204 0.000 1.002 780 N CA -0.357 52.590 53.050 -0.172 0.000 0.907 780 N CB 1.840 40.351 38.487 0.040 0.000 1.161 780 N HN 0.626 nan 8.380 nan 0.000 0.488 781 A N 1.182 123.832 122.820 -0.283 0.000 2.520 781 A HA 0.613 4.933 4.320 0.000 0.000 0.298 781 A C -0.795 176.560 177.584 -0.383 0.000 1.051 781 A CA -0.614 51.189 52.037 -0.389 0.000 0.690 781 A CB 1.216 19.843 19.000 -0.622 0.000 1.281 781 A HN 0.383 nan 8.150 nan 0.000 0.402 782 T N 2.624 117.007 114.554 -0.285 0.000 2.788 782 T HA 0.537 4.887 4.350 0.000 0.000 0.296 782 T C -1.228 173.334 174.700 -0.229 0.000 1.009 782 T CA 0.263 62.299 62.100 -0.106 0.000 0.949 782 T CB -0.214 68.663 68.868 0.015 0.000 0.946 782 T HN 0.375 nan 8.240 nan 0.000 0.453 783 Y N 2.110 122.452 120.300 0.069 0.000 2.342 783 Y HA 0.441 4.991 4.550 0.000 0.000 0.334 783 Y C 1.468 177.408 175.900 0.067 0.000 1.067 783 Y CA -1.099 57.037 58.100 0.061 0.000 1.128 783 Y CB 0.940 39.445 38.460 0.074 0.000 1.200 783 Y HN 0.581 nan 8.280 nan 0.000 0.464 784 T N 1.578 116.246 114.554 0.191 0.000 2.882 784 T HA 0.723 5.073 4.350 0.000 0.000 0.287 784 T C -0.421 174.340 174.700 0.102 0.000 1.014 784 T CA -0.723 61.447 62.100 0.117 0.000 1.049 784 T CB 0.722 69.633 68.868 0.072 0.000 1.001 784 T HN 0.505 nan 8.240 nan 0.000 0.525 785 L N 1.835 123.096 121.223 0.063 0.000 2.323 785 L HA 0.595 4.935 4.340 0.000 0.000 0.265 785 L C -1.905 174.963 176.870 -0.003 0.000 1.012 785 L CA -2.575 52.276 54.840 0.019 0.000 0.820 785 L CB 1.998 44.060 42.059 0.005 0.000 1.334 785 L HN 0.595 nan 8.230 nan 0.000 0.427 786 P HA 0.117 nan 4.420 nan 0.000 0.274 786 P C -0.645 176.631 177.300 -0.039 0.000 1.246 786 P CA -0.379 62.710 63.100 -0.019 0.000 0.795 786 P CB 0.429 32.120 31.700 -0.015 0.000 1.006 787 T N -0.573 113.968 114.554 -0.021 0.000 2.916 787 T HA 0.336 4.686 4.350 0.000 0.000 0.303 787 T C 0.358 175.026 174.700 -0.053 0.000 1.025 787 T CA -0.465 61.621 62.100 -0.023 0.000 1.142 787 T CB -0.135 68.735 68.868 0.003 0.000 0.947 787 T HN 0.210 nan 8.240 nan 0.000 0.544 788 L N 2.201 123.378 121.223 -0.076 0.000 2.331 788 L HA 0.477 4.817 4.340 0.000 0.000 0.275 788 L C 0.478 177.383 176.870 0.058 0.000 1.022 788 L CA -1.134 53.628 54.840 -0.129 0.000 0.812 788 L CB 1.792 43.645 42.059 -0.345 0.000 1.257 788 L HN 0.718 nan 8.230 nan 0.000 0.435 789 Q N 1.533 121.458 119.800 0.207 0.000 2.296 789 Q HA 0.173 4.513 4.340 0.000 0.000 0.257 789 Q C -0.223 175.878 176.000 0.168 0.000 0.942 789 Q CA -0.251 55.650 55.803 0.164 0.000 0.939 789 Q CB 1.507 30.328 28.738 0.138 0.000 1.198 789 Q HN 0.651 nan 8.270 nan 0.000 0.429 790 S N 2.739 118.503 115.700 0.106 0.000 2.558 790 S HA 0.253 4.723 4.470 0.000 0.000 0.293 790 S C 1.093 175.731 174.600 0.064 0.000 1.292 790 S CA 1.300 59.555 58.200 0.092 0.000 1.063 790 S CB 0.029 63.267 63.200 0.064 0.000 0.831 790 S HN 1.042 nan 8.310 nan 0.000 0.499 791 G N 3.896 112.729 108.800 0.054 0.000 2.225 791 G HA2 -0.222 3.738 3.960 0.000 0.000 0.254 791 G HA3 -0.222 3.738 3.960 0.000 0.000 0.254 791 G C 0.015 174.891 174.900 -0.040 0.000 0.988 791 G CA 0.431 45.537 45.100 0.009 0.000 0.625 791 G HN 0.721 nan 8.290 nan 0.000 0.527 792 K N 0.826 121.195 120.400 -0.052 0.000 2.110 792 K HA 0.429 4.749 4.320 0.000 0.000 0.263 792 K C -0.333 176.033 176.600 -0.390 0.000 0.975 792 K CA -0.805 55.344 56.287 -0.229 0.000 0.895 792 K CB 0.578 32.901 32.500 -0.295 0.000 1.060 792 K HN 0.140 nan 8.250 nan 0.000 0.448 793 N N 1.910 120.308 118.700 -0.502 0.000 2.479 793 N HA 0.256 4.996 4.740 0.000 0.000 0.285 793 N C -1.005 174.009 175.510 -0.828 0.000 1.075 793 N CA 0.030 52.771 53.050 -0.515 0.000 0.967 793 N CB 0.649 38.947 38.487 -0.315 0.000 1.137 793 N HN 0.364 nan 8.380 nan 0.000 0.472 794 Y N -0.693 119.226 120.300 -0.636 0.000 2.605 794 Y HA 0.584 5.134 4.550 0.000 0.000 0.343 794 Y C -0.155 175.383 175.900 -0.603 0.000 1.036 794 Y CA -1.029 56.694 58.100 -0.628 0.000 1.065 794 Y CB 1.835 39.813 38.460 -0.803 0.000 1.288 794 Y HN 0.148 nan 8.280 nan 0.000 0.481 795 V N 3.553 123.318 119.914 -0.249 0.000 2.686 795 V HA 0.560 4.680 4.120 0.000 0.000 0.306 795 V C -1.355 174.587 176.094 -0.254 0.000 1.065 795 V CA -0.709 61.355 62.300 -0.394 0.000 0.894 795 V CB 1.440 32.921 31.823 -0.569 0.000 1.004 795 V HN 0.666 nan 8.190 nan 0.000 0.424 796 I N 5.877 126.263 120.570 -0.305 0.000 2.312 796 I HA 0.378 4.548 4.170 0.000 0.000 0.290 796 I C 0.094 176.117 176.117 -0.155 0.000 1.008 796 I CA -0.116 61.028 61.300 -0.259 0.000 1.226 796 I CB 1.798 39.499 38.000 -0.498 0.000 1.371 796 I HN 0.544 nan 8.210 nan 0.000 0.468 797 T N 6.178 120.721 114.554 -0.018 0.000 2.749 797 T HA 0.417 4.767 4.350 0.000 0.000 0.287 797 T C -0.144 174.695 174.700 0.232 0.000 0.970 797 T CA -0.416 61.738 62.100 0.089 0.000 0.980 797 T CB 1.387 70.275 68.868 0.034 0.000 0.924 797 T HN 0.180 nan 8.240 nan 0.000 0.456 798 V N 4.584 124.673 119.914 0.292 0.000 2.378 798 V HA 0.384 4.504 4.120 0.000 0.000 0.288 798 V C -0.083 176.233 176.094 0.370 0.000 1.016 798 V CA -0.843 61.638 62.300 0.301 0.000 0.840 798 V CB 1.568 33.529 31.823 0.230 0.000 0.994 798 V HN 0.690 nan 8.190 nan 0.000 0.431 799 V N 6.712 126.859 119.914 0.388 0.000 2.370 799 V HA 0.520 4.640 4.120 0.000 0.000 0.279 799 V C -0.106 176.306 176.094 0.530 0.000 1.029 799 V CA -0.305 62.186 62.300 0.319 0.000 0.870 799 V CB 1.476 33.336 31.823 0.061 0.000 0.984 799 V HN 0.685 nan 8.190 nan 0.000 0.451 800 I N 3.409 124.278 120.570 0.498 0.000 2.436 800 I HA 0.381 4.551 4.170 0.000 0.000 0.289 800 I C -0.485 175.967 176.117 0.559 0.000 1.010 800 I CA -0.568 61.091 61.300 0.599 0.000 1.098 800 I CB 1.992 40.276 38.000 0.472 0.000 1.266 800 I HN 0.481 nan 8.210 nan 0.000 0.434 801 D N 5.115 125.896 120.400 0.635 0.000 2.350 801 D HA 0.084 4.724 4.640 0.000 0.000 0.249 801 D C -0.537 175.959 176.300 0.327 0.000 1.119 801 D CA 0.172 54.451 54.000 0.465 0.000 0.886 801 D CB 0.866 41.835 40.800 0.281 0.000 1.195 801 D HN 0.375 nan 8.370 nan 0.000 0.437 802 N N 3.632 122.468 118.700 0.227 0.000 2.417 802 N HA 0.114 4.854 4.740 0.000 0.000 0.274 802 N C 0.146 175.729 175.510 0.121 0.000 0.987 802 N CA -0.434 52.705 53.050 0.148 0.000 0.912 802 N CB 0.858 39.422 38.487 0.130 0.000 1.177 802 N HN 0.251 nan 8.380 nan 0.000 0.490 803 M N 1.814 121.467 119.600 0.088 0.000 2.505 803 M HA 0.328 4.808 4.480 0.000 0.000 0.230 803 M C 0.787 177.156 176.300 0.116 0.000 1.153 803 M CA -0.142 55.218 55.300 0.100 0.000 0.997 803 M CB -1.209 31.413 32.600 0.036 0.000 1.606 803 M HN 0.682 nan 8.290 nan 0.000 0.481 804 G N 0.861 109.706 108.800 0.075 0.000 2.497 804 G HA2 -0.033 3.927 3.960 0.000 0.000 0.686 804 G HA3 -0.033 3.927 3.960 0.000 0.000 0.686 804 G C -1.218 173.695 174.900 0.022 0.000 1.288 804 G CA -1.165 43.965 45.100 0.051 0.000 0.899 804 G HN 0.236 nan 8.290 nan 0.000 0.608 805 L N 0.899 122.122 121.223 -0.000 0.000 2.357 805 L HA 0.409 4.749 4.340 0.000 0.000 0.273 805 L C 0.269 177.144 176.870 0.008 0.000 1.080 805 L CA -1.100 53.730 54.840 -0.017 0.000 0.803 805 L CB 0.973 43.002 42.059 -0.050 0.000 1.174 805 L HN 0.543 nan 8.230 nan 0.000 0.443 806 D N 1.391 121.796 120.400 0.008 0.000 2.360 806 D HA 0.149 4.789 4.640 0.000 0.000 0.242 806 D C 0.051 176.398 176.300 0.078 0.000 1.184 806 D CA -0.183 53.844 54.000 0.044 0.000 0.930 806 D CB 0.966 41.777 40.800 0.018 0.000 1.161 806 D HN 0.471 nan 8.370 nan 0.000 0.447 807 E N -0.177 120.097 120.200 0.124 0.000 2.405 807 E HA 0.151 4.501 4.350 0.000 0.000 0.253 807 E C -0.430 176.277 176.600 0.177 0.000 1.257 807 E CA -0.223 56.275 56.400 0.162 0.000 0.960 807 E CB 0.529 30.320 29.700 0.152 0.000 1.077 807 E HN 0.252 nan 8.360 nan 0.000 0.512 808 D N -0.343 120.183 120.400 0.210 0.000 2.938 808 D HA 0.093 4.733 4.640 0.000 0.000 0.369 808 D C -0.055 176.189 176.300 -0.094 0.000 1.301 808 D CA -0.334 53.657 54.000 -0.015 0.000 0.805 808 D CB -0.162 40.564 40.800 -0.123 0.000 1.161 808 D HN 0.475 nan 8.370 nan 0.000 0.474 809 W N 1.270 122.546 121.300 -0.040 0.000 2.335 809 W HA -0.041 4.619 4.660 0.000 0.000 0.311 809 W C 0.323 176.792 176.519 -0.084 0.000 1.213 809 W CA 1.155 58.497 57.345 -0.006 0.000 1.274 809 W CB -0.043 29.447 29.460 0.050 0.000 1.148 809 W HN 0.005 nan 8.180 nan 0.000 0.498 810 T N 2.641 117.139 114.554 -0.093 0.000 2.733 810 T HA 0.296 4.646 4.350 0.000 0.000 0.294 810 T C 0.001 174.545 174.700 -0.260 0.000 0.956 810 T CA -0.562 61.365 62.100 -0.287 0.000 0.987 810 T CB 0.530 69.319 68.868 -0.132 0.000 0.920 810 T HN -0.205 nan 8.240 nan 0.000 0.470 811 I N 3.034 123.393 120.570 -0.352 0.000 2.668 811 I HA 0.242 4.412 4.170 0.000 0.000 0.285 811 I C 1.529 177.535 176.117 -0.186 0.000 1.168 811 I CA 0.850 61.962 61.300 -0.314 0.000 1.424 811 I CB 0.173 37.979 38.000 -0.323 0.000 1.377 811 I HN 0.989 nan 8.210 nan 0.000 0.560 812 G N 3.904 112.563 108.800 -0.234 0.000 2.238 812 G HA2 -0.330 3.630 3.960 0.000 0.000 0.217 812 G HA3 -0.330 3.630 3.960 0.000 0.000 0.217 812 G C 1.058 175.899 174.900 -0.099 0.000 0.996 812 G CA 0.417 45.446 45.100 -0.119 0.000 0.632 812 G HN 0.685 nan 8.290 nan 0.000 0.503 813 S N 0.554 116.193 115.700 -0.101 0.000 2.406 813 S HA 0.107 4.577 4.470 0.000 0.000 0.228 813 S C 1.230 175.790 174.600 -0.067 0.000 1.020 813 S CA 1.523 59.686 58.200 -0.061 0.000 0.965 813 S CB -0.176 63.007 63.200 -0.029 0.000 0.798 813 S HN 0.948 nan 8.310 nan 0.000 0.488 814 E N 0.609 120.749 120.200 -0.099 0.000 2.722 814 E HA -0.202 4.148 4.350 0.000 0.000 0.265 814 E C -0.185 176.404 176.600 -0.017 0.000 1.081 814 E CA 0.950 57.297 56.400 -0.089 0.000 0.781 814 E CB -2.105 27.529 29.700 -0.111 0.000 1.372 814 E HN 0.645 nan 8.360 nan 0.000 0.423 815 D N -0.006 120.395 120.400 0.001 0.000 2.218 815 D HA -0.146 4.495 4.640 0.000 0.000 0.204 815 D C 1.780 178.098 176.300 0.031 0.000 0.976 815 D CA 0.805 54.825 54.000 0.033 0.000 0.853 815 D CB -0.133 40.694 40.800 0.044 0.000 0.939 815 D HN 0.319 nan 8.370 nan 0.000 0.481 816 M N 0.543 120.167 119.600 0.040 0.000 2.358 816 M HA -0.137 4.343 4.480 0.000 0.000 0.264 816 M C 0.914 177.211 176.300 -0.005 0.000 1.064 816 M CA 1.279 56.609 55.300 0.050 0.000 1.093 816 M CB -0.113 32.582 32.600 0.158 0.000 1.401 816 M HN -0.149 nan 8.290 nan 0.000 0.440 817 K N 0.567 120.965 120.400 -0.003 0.000 2.505 817 K HA 0.066 4.386 4.320 0.000 0.000 0.192 817 K C -0.099 176.473 176.600 -0.047 0.000 1.025 817 K CA -0.289 55.993 56.287 -0.007 0.000 1.086 817 K CB -0.174 32.344 32.500 0.030 0.000 0.840 817 K HN 0.293 nan 8.250 nan 0.000 0.514 818 N N 3.428 122.077 118.700 -0.085 0.000 2.440 818 N HA 0.007 4.747 4.740 0.000 0.000 0.265 818 N C -2.382 172.920 175.510 -0.346 0.000 1.239 818 N CA -0.709 52.178 53.050 -0.271 0.000 0.909 818 N CB 0.474 38.857 38.487 -0.174 0.000 1.066 818 N HN 0.126 nan 8.380 nan 0.000 0.474 819 P HA 0.175 nan 4.420 nan 0.000 0.274 819 P C -0.531 176.575 177.300 -0.324 0.000 1.246 819 P CA -0.278 62.490 63.100 -0.553 0.000 0.795 819 P CB 1.046 31.976 31.700 -1.284 0.000 1.006 820 R N 0.658 121.075 120.500 -0.139 0.000 2.439 820 R HA 0.708 5.048 4.340 0.000 0.000 0.310 820 R C 0.574 176.938 176.300 0.108 0.000 0.955 820 R CA -0.315 55.765 56.100 -0.034 0.000 0.853 820 R CB 1.212 31.538 30.300 0.044 0.000 1.171 820 R HN 0.968 nan 8.270 nan 0.000 0.449 821 G N 2.245 111.064 108.800 0.032 0.000 2.292 821 G HA2 -0.012 3.948 3.960 0.000 0.000 0.194 821 G HA3 -0.012 3.948 3.960 0.000 0.000 0.194 821 G C -1.259 173.438 174.900 -0.339 0.000 1.329 821 G CA -0.962 44.106 45.100 -0.054 0.000 1.100 821 G HN 0.357 nan 8.290 nan 0.000 0.470 822 I N 2.358 122.575 120.570 -0.588 0.000 2.321 822 I HA 0.311 4.481 4.170 0.000 0.000 0.291 822 I C 1.020 177.040 176.117 -0.162 0.000 0.998 822 I CA -0.845 60.176 61.300 -0.465 0.000 1.227 822 I CB 1.410 38.960 38.000 -0.750 0.000 1.368 822 I HN 0.356 nan 8.210 nan 0.000 0.466 823 I N 4.196 124.716 120.570 -0.083 0.000 2.731 823 I HA 0.120 4.290 4.170 0.000 0.000 0.260 823 I C 0.792 176.904 176.117 -0.007 0.000 1.138 823 I CA 1.017 62.348 61.300 0.052 0.000 1.461 823 I CB -0.574 37.431 38.000 0.009 0.000 1.128 823 I HN 0.621 nan 8.210 nan 0.000 0.438 824 Q N -0.197 119.556 119.800 -0.078 0.000 2.462 824 Q HA 0.546 4.886 4.340 0.000 0.000 0.285 824 Q C -1.701 174.239 176.000 -0.099 0.000 1.035 824 Q CA -0.683 55.082 55.803 -0.064 0.000 0.799 824 Q CB 3.407 32.181 28.738 0.061 0.000 1.452 824 Q HN 0.177 nan 8.270 nan 0.000 0.404 825 Y N -2.343 117.889 120.300 -0.114 0.000 2.573 825 Y HA 0.708 5.258 4.550 0.000 0.000 0.328 825 Y C -1.647 174.265 175.900 0.021 0.000 1.170 825 Y CA -0.806 57.172 58.100 -0.203 0.000 1.078 825 Y CB 1.416 39.816 38.460 -0.100 0.000 1.341 825 Y HN 0.498 nan 8.280 nan 0.000 0.459 826 S N 3.338 119.143 115.700 0.175 0.000 2.649 826 S HA 0.555 5.025 4.470 0.000 0.000 0.274 826 S C -2.442 172.294 174.600 0.226 0.000 1.176 826 S CA -0.548 57.761 58.200 0.181 0.000 0.988 826 S CB 0.921 64.192 63.200 0.117 0.000 1.071 826 S HN 0.993 nan 8.310 nan 0.000 0.478 827 L N 6.097 127.495 121.223 0.291 0.000 2.262 827 L HA 0.605 4.945 4.340 0.000 0.000 0.288 827 L C 0.381 177.308 176.870 0.094 0.000 1.035 827 L CA 0.015 54.992 54.840 0.228 0.000 0.820 827 L CB 1.054 43.143 42.059 0.049 0.000 1.204 827 L HN 0.741 nan 8.230 nan 0.000 0.424 828 S N 3.390 119.140 115.700 0.083 0.000 2.552 828 S HA 0.424 4.894 4.470 0.000 0.000 0.289 828 S C 1.207 175.823 174.600 0.026 0.000 1.304 828 S CA 0.086 58.311 58.200 0.042 0.000 1.063 828 S CB 0.498 63.721 63.200 0.038 0.000 0.848 828 S HN 1.848 nan 8.310 nan 0.000 0.499 829 G N 1.659 110.471 108.800 0.020 0.000 2.179 829 G HA2 -0.195 3.765 3.960 0.000 0.000 0.260 829 G HA3 -0.195 3.765 3.960 0.000 0.000 0.260 829 G C -0.097 174.818 174.900 0.025 0.000 0.977 829 G CA 0.427 45.539 45.100 0.021 0.000 0.641 829 G HN 0.886 nan 8.290 nan 0.000 0.533 830 Q N -0.163 119.650 119.800 0.022 0.000 2.389 830 Q HA 0.372 4.712 4.340 0.000 0.000 0.277 830 Q C -0.511 175.514 176.000 0.041 0.000 1.082 830 Q CA -0.743 55.076 55.803 0.027 0.000 0.810 830 Q CB 1.839 30.571 28.738 -0.010 0.000 1.374 830 Q HN 0.566 nan 8.270 nan 0.000 0.422 831 E N 0.502 120.733 120.200 0.051 0.000 2.383 831 E HA 0.179 4.529 4.350 0.000 0.000 0.264 831 E C 0.616 177.274 176.600 0.097 0.000 1.050 831 E CA 0.067 56.501 56.400 0.057 0.000 0.896 831 E CB 0.908 30.642 29.700 0.056 0.000 0.982 831 E HN 0.747 nan 8.360 nan 0.000 0.424 832 A N 2.412 125.283 122.820 0.085 0.000 1.940 832 A HA -0.212 4.108 4.320 0.000 0.000 0.219 832 A C 2.098 179.855 177.584 0.289 0.000 1.176 832 A CA 2.016 54.149 52.037 0.160 0.000 0.631 832 A CB -0.630 18.301 19.000 -0.114 0.000 0.814 832 A HN 0.623 nan 8.150 nan 0.000 0.446 833 S N -0.317 115.491 115.700 0.180 0.000 2.547 833 S HA 0.226 4.697 4.470 0.000 0.000 0.235 833 S C 1.686 176.386 174.600 0.167 0.000 0.980 833 S CA 0.872 59.184 58.200 0.186 0.000 0.941 833 S CB -0.401 62.874 63.200 0.125 0.000 0.763 833 S HN 0.830 nan 8.310 nan 0.000 0.532 834 A N 1.203 124.115 122.820 0.152 0.000 2.119 834 A HA 0.348 4.668 4.320 0.000 0.000 0.217 834 A C 0.924 178.583 177.584 0.125 0.000 1.153 834 A CA 0.293 52.406 52.037 0.126 0.000 0.692 834 A CB -0.420 18.643 19.000 0.105 0.000 0.799 834 A HN 0.630 nan 8.150 nan 0.000 0.458 835 I N 0.906 121.544 120.570 0.112 0.000 2.321 835 I HA 0.203 4.373 4.170 0.000 0.000 0.291 835 I C -0.513 175.550 176.117 -0.090 0.000 0.998 835 I CA -0.202 61.053 61.300 -0.075 0.000 1.227 835 I CB 1.756 39.568 38.000 -0.314 0.000 1.368 835 I HN -0.063 nan 8.210 nan 0.000 0.466 836 S N 5.332 120.953 115.700 -0.132 0.000 2.442 836 S HA 0.440 4.910 4.470 0.000 0.000 0.297 836 S C -1.044 173.497 174.600 -0.098 0.000 1.131 836 S CA -0.602 57.597 58.200 -0.003 0.000 1.092 836 S CB 0.636 63.858 63.200 0.038 0.000 0.998 836 S HN 0.344 nan 8.310 nan 0.000 0.478 837 W N 2.386 123.741 121.300 0.091 0.000 2.512 837 W HA 0.581 5.241 4.660 0.000 0.000 0.335 837 W C 0.391 176.941 176.519 0.052 0.000 1.088 837 W CA -0.777 56.615 57.345 0.078 0.000 1.236 837 W CB 0.779 30.290 29.460 0.084 0.000 1.307 837 W HN 0.184 nan 8.180 nan 0.000 0.567 838 K N 2.814 123.412 120.400 0.330 0.000 2.385 838 K HA 0.749 5.069 4.320 0.000 0.000 0.248 838 K C -0.973 175.790 176.600 0.271 0.000 0.955 838 K CA -1.057 55.362 56.287 0.219 0.000 0.816 838 K CB 2.122 34.702 32.500 0.133 0.000 1.250 838 K HN 0.730 nan 8.250 nan 0.000 0.434 839 L N -2.072 119.237 121.223 0.144 0.000 2.568 839 L HA 0.755 5.095 4.340 0.000 0.000 0.257 839 L C -0.957 175.645 176.870 -0.446 0.000 1.024 839 L CA -0.495 54.220 54.840 -0.209 0.000 0.854 839 L CB 2.565 44.168 42.059 -0.759 0.000 1.460 839 L HN 0.542 nan 8.230 nan 0.000 0.409 840 T N 0.211 114.219 114.554 -0.910 0.000 2.942 840 T HA 0.756 5.106 4.350 0.000 0.000 0.327 840 T C -0.460 173.492 174.700 -1.247 0.000 1.360 840 T CA 0.258 61.577 62.100 -1.303 0.000 1.055 840 T CB 1.650 69.730 68.868 -1.313 0.000 1.261 840 T HN 1.222 nan 8.240 nan 0.000 0.485 841 G N 2.135 109.981 108.800 -1.589 0.000 3.264 841 G HA2 0.484 4.444 3.960 0.000 0.000 0.168 841 G HA3 0.484 4.444 3.960 0.000 0.000 0.168 841 G C -0.270 174.417 174.900 -0.355 0.000 1.145 841 G CA -0.637 44.055 45.100 -0.680 0.000 0.855 841 G HN 1.058 nan 8.290 nan 0.000 0.629 842 N N -0.540 118.134 118.700 -0.044 0.000 2.407 842 N HA 0.189 4.929 4.740 0.000 0.000 0.250 842 N C 0.008 175.537 175.510 0.031 0.000 1.236 842 N CA -0.525 52.513 53.050 -0.020 0.000 0.879 842 N CB 0.960 39.478 38.487 0.052 0.000 1.088 842 N HN 0.363 nan 8.380 nan 0.000 0.450 843 L N 2.595 123.762 121.223 -0.093 0.000 2.584 843 L HA 0.187 4.527 4.340 0.000 0.000 0.272 843 L C 1.421 178.309 176.870 0.030 0.000 1.195 843 L CA 1.787 56.556 54.840 -0.119 0.000 0.920 843 L CB -0.522 41.376 42.059 -0.268 0.000 1.173 843 L HN 0.975 nan 8.230 nan 0.000 0.489 844 G N 2.253 111.114 108.800 0.103 0.000 2.217 844 G HA2 -0.113 3.847 3.960 0.000 0.000 0.246 844 G HA3 -0.113 3.847 3.960 0.000 0.000 0.246 844 G C 1.289 176.218 174.900 0.049 0.000 0.990 844 G CA 0.502 45.649 45.100 0.078 0.000 0.627 844 G HN 1.874 nan 8.290 nan 0.000 0.522 845 G N 0.278 109.138 108.800 0.099 0.000 2.591 845 G HA2 -0.374 3.586 3.960 0.000 0.000 0.298 845 G HA3 -0.374 3.586 3.960 0.000 0.000 0.298 845 G C 0.759 175.672 174.900 0.022 0.000 1.195 845 G CA 1.321 46.339 45.100 -0.137 0.000 0.989 845 G HN 1.136 nan 8.290 nan 0.000 0.551 846 E N 0.767 120.960 120.200 -0.012 0.000 2.265 846 E HA -0.052 4.298 4.350 0.000 0.000 0.196 846 E C 1.304 178.029 176.600 0.207 0.000 0.996 846 E CA 0.700 57.200 56.400 0.168 0.000 0.832 846 E CB -0.025 29.746 29.700 0.119 0.000 0.756 846 E HN 0.274 nan 8.360 nan 0.000 0.491 847 N N 0.861 119.606 118.700 0.075 0.000 3.324 847 N HA 0.006 4.746 4.740 0.000 0.000 0.302 847 N C -1.236 174.272 175.510 -0.003 0.000 1.360 847 N CA -0.305 52.735 53.050 -0.016 0.000 1.190 847 N CB -0.336 38.128 38.487 -0.038 0.000 1.462 847 N HN 0.087 nan 8.380 nan 0.000 0.532 848 Y N -0.666 119.651 120.300 0.028 0.000 2.683 848 Y HA 0.213 4.763 4.550 0.000 0.000 0.340 848 Y C 1.264 177.182 175.900 0.029 0.000 1.245 848 Y CA -0.610 57.510 58.100 0.034 0.000 1.485 848 Y CB 0.666 39.160 38.460 0.057 0.000 1.328 848 Y HN -0.045 nan 8.280 nan 0.000 0.603 849 R N 0.470 121.052 120.500 0.137 0.000 2.161 849 R HA -0.018 4.322 4.340 0.000 0.000 0.213 849 R C -0.381 175.972 176.300 0.088 0.000 1.055 849 R CA 0.724 56.851 56.100 0.045 0.000 0.996 849 R CB -0.466 29.840 30.300 0.011 0.000 0.901 849 R HN 0.762 nan 8.270 nan 0.000 0.456 850 D N 1.196 121.739 120.400 0.240 0.000 2.499 850 D HA 0.035 4.675 4.640 0.000 0.000 0.225 850 D C 0.803 177.324 176.300 0.370 0.000 1.124 850 D CA -0.024 54.122 54.000 0.243 0.000 0.938 850 D CB 0.941 41.887 40.800 0.244 0.000 1.014 850 D HN 0.142 nan 8.370 nan 0.000 0.517 851 T N -0.838 113.853 114.554 0.229 0.000 2.915 851 T HA -0.094 4.256 4.350 0.000 0.000 0.269 851 T C 1.885 176.803 174.700 0.363 0.000 1.071 851 T CA 0.652 62.916 62.100 0.272 0.000 1.132 851 T CB -0.021 68.910 68.868 0.105 0.000 0.878 851 T HN 0.128 nan 8.240 nan 0.000 0.479 852 V N 1.641 121.729 119.914 0.291 0.000 2.346 852 V HA 0.026 4.146 4.120 0.000 0.000 0.244 852 V C 2.798 179.142 176.094 0.416 0.000 1.037 852 V CA 1.478 63.959 62.300 0.301 0.000 1.029 852 V CB -0.481 31.450 31.823 0.180 0.000 0.663 852 V HN 0.438 nan 8.190 nan 0.000 0.454 853 R N -0.006 120.714 120.500 0.367 0.000 2.297 853 R HA 0.367 4.707 4.340 0.000 0.000 0.197 853 R C 0.907 177.663 176.300 0.760 0.000 0.943 853 R CA 0.658 57.032 56.100 0.456 0.000 1.038 853 R CB 0.224 30.603 30.300 0.131 0.000 0.957 853 R HN 0.561 nan 8.270 nan 0.000 0.484 854 G N 1.214 110.405 108.800 0.652 0.000 2.663 854 G HA2 -0.156 3.804 3.960 0.000 0.000 0.686 854 G HA3 -0.156 3.804 3.960 0.000 0.000 0.686 854 G C -2.248 172.540 174.900 -0.187 0.000 1.288 854 G CA -0.665 44.607 45.100 0.287 0.000 0.836 854 G HN -0.077 nan 8.290 nan 0.000 0.584 855 P HA 0.041 nan 4.420 nan 0.000 0.229 855 P C 1.660 178.718 177.300 -0.402 0.000 1.160 855 P CA 1.066 63.493 63.100 -1.121 0.000 0.777 855 P CB 0.130 31.173 31.700 -1.095 0.000 0.814 856 L N -1.590 119.487 121.223 -0.244 0.000 2.575 856 L HA 0.152 4.492 4.340 0.000 0.000 0.228 856 L C 2.403 179.248 176.870 -0.043 0.000 1.075 856 L CA 0.250 55.007 54.840 -0.138 0.000 0.867 856 L CB -1.008 40.932 42.059 -0.197 0.000 1.097 856 L HN -0.059 nan 8.230 nan 0.000 0.485 857 N N 1.679 120.399 118.700 0.034 0.000 2.037 857 N HA -0.223 4.517 4.740 0.000 0.000 0.196 857 N C 0.647 176.259 175.510 0.170 0.000 1.034 857 N CA 1.420 54.580 53.050 0.182 0.000 0.861 857 N CB 0.058 38.767 38.487 0.369 0.000 1.039 857 N HN 0.553 nan 8.380 nan 0.000 0.427 858 E N -1.319 118.940 120.200 0.098 0.000 2.204 858 E HA 0.511 4.861 4.350 0.000 0.000 0.276 858 E C 0.145 176.744 176.600 -0.002 0.000 0.974 858 E CA -0.909 55.488 56.400 -0.005 0.000 0.815 858 E CB 1.708 31.333 29.700 -0.125 0.000 1.119 858 E HN 0.233 nan 8.360 nan 0.000 0.393 859 G N 0.807 109.601 108.800 -0.009 0.000 2.606 859 G HA2 0.400 4.360 3.960 0.000 0.000 0.262 859 G HA3 0.400 4.360 3.960 0.000 0.000 0.262 859 G C 0.469 175.316 174.900 -0.089 0.000 1.394 859 G CA -0.558 44.538 45.100 -0.007 0.000 1.044 859 G HN 0.571 nan 8.290 nan 0.000 0.553 860 G N -0.961 107.772 108.800 -0.112 0.000 3.284 860 G HA2 0.320 4.280 3.960 0.000 0.000 0.236 860 G HA3 0.320 4.280 3.960 0.000 0.000 0.236 860 G C 0.578 175.348 174.900 -0.217 0.000 1.158 860 G CA -0.392 44.578 45.100 -0.216 0.000 0.774 860 G HN 0.317 nan 8.290 nan 0.000 0.545 861 L N 0.231 121.359 121.223 -0.159 0.000 2.461 861 L HA 0.073 4.413 4.340 0.000 0.000 0.272 861 L C 1.778 178.536 176.870 -0.187 0.000 1.197 861 L CA -0.853 53.898 54.840 -0.148 0.000 0.836 861 L CB 0.505 42.511 42.059 -0.088 0.000 1.105 861 L HN 0.274 nan 8.230 nan 0.000 0.477 862 Y N 3.433 123.586 120.300 -0.244 0.000 2.062 862 Y HA -0.404 4.146 4.550 0.000 0.000 0.276 862 Y C 2.158 177.837 175.900 -0.369 0.000 1.189 862 Y CA 2.084 60.038 58.100 -0.244 0.000 1.130 862 Y CB -0.163 38.197 38.460 -0.166 0.000 0.959 862 Y HN 0.697 nan 8.280 nan 0.000 0.499 863 A N -0.031 122.439 122.820 -0.583 0.000 1.972 863 A HA -0.194 4.126 4.320 0.000 0.000 0.219 863 A C 2.093 179.167 177.584 -0.849 0.000 1.169 863 A CA 1.886 53.397 52.037 -0.878 0.000 0.635 863 A CB -0.681 17.666 19.000 -1.088 0.000 0.810 863 A HN 0.711 nan 8.150 nan 0.000 0.446 864 E N -0.524 119.309 120.200 -0.612 0.000 2.072 864 E HA -0.123 4.227 4.350 0.000 0.000 0.190 864 E C 2.285 178.668 176.600 -0.361 0.000 0.982 864 E CA 0.795 56.919 56.400 -0.460 0.000 0.803 864 E CB -0.166 29.299 29.700 -0.391 0.000 0.755 864 E HN 0.543 nan 8.360 nan 0.000 0.453 865 R N 0.692 120.931 120.500 -0.435 0.000 2.127 865 R HA -0.121 4.219 4.340 0.000 0.000 0.238 865 R C 2.164 178.172 176.300 -0.487 0.000 1.134 865 R CA 0.947 56.784 56.100 -0.438 0.000 0.975 865 R CB -0.105 29.884 30.300 -0.519 0.000 0.865 865 R HN 0.165 nan 8.270 nan 0.000 0.447 866 Q N -0.631 118.726 119.800 -0.738 0.000 2.378 866 Q HA 0.034 4.374 4.340 0.000 0.000 0.205 866 Q C 1.183 176.884 176.000 -0.498 0.000 0.954 866 Q CA 1.028 56.316 55.803 -0.859 0.000 0.901 866 Q CB 0.673 28.261 28.738 -1.918 0.000 0.981 866 Q HN 0.617 nan 8.270 nan 0.000 0.483 867 G N 0.528 109.139 108.800 -0.315 0.000 2.136 867 G HA2 -0.240 3.720 3.960 0.000 0.000 0.242 867 G HA3 -0.240 3.720 3.960 0.000 0.000 0.242 867 G C 0.309 175.249 174.900 0.066 0.000 0.989 867 G CA 0.180 45.247 45.100 -0.054 0.000 0.682 867 G HN 0.286 nan 8.290 nan 0.000 0.522 868 F N 1.254 121.154 119.950 -0.083 0.000 2.546 868 F HA 0.068 4.595 4.527 0.000 0.000 0.298 868 F C 2.446 178.301 175.800 0.092 0.000 1.120 868 F CA 0.842 58.788 58.000 -0.090 0.000 1.456 868 F CB -0.512 38.441 39.000 -0.078 0.000 1.088 868 F HN 0.675 nan 8.300 nan 0.000 0.572 869 H N -1.041 118.085 119.070 0.093 0.000 2.547 869 H HA 0.155 4.711 4.556 0.000 0.000 0.266 869 H C 0.199 175.625 175.328 0.164 0.000 0.988 869 H CA 0.031 56.175 56.048 0.160 0.000 1.147 869 H CB -0.497 29.018 29.762 -0.412 0.000 1.365 869 H HN 0.261 nan 8.280 nan 0.000 0.589 870 Q N 1.485 121.130 119.800 -0.259 0.000 2.212 870 Q HA 0.331 4.671 4.340 0.000 0.000 0.238 870 Q C -2.470 173.448 176.000 -0.136 0.000 0.955 870 Q CA -2.100 53.589 55.803 -0.191 0.000 0.906 870 Q CB 0.740 29.326 28.738 -0.254 0.000 1.215 870 Q HN 0.159 nan 8.270 nan 0.000 0.478 871 P HA -0.142 nan 4.420 nan 0.000 0.265 871 P C -1.072 175.665 177.300 -0.938 0.000 1.187 871 P CA 0.630 63.351 63.100 -0.631 0.000 0.766 871 P CB 0.334 31.827 31.700 -0.345 0.000 0.820 872 Q N -0.833 117.771 119.800 -1.994 0.000 2.459 872 Q HA -0.162 4.178 4.340 0.000 0.000 0.322 872 Q C -1.958 173.623 176.000 -0.699 0.000 1.427 872 Q CA -0.239 54.721 55.803 -1.405 0.000 0.861 872 Q CB -1.519 26.774 28.738 -0.741 0.000 1.137 872 Q HN 0.472 nan 8.270 nan 0.000 0.394 873 P HA 0.116 nan 4.420 nan 0.000 0.274 873 P C -2.402 174.390 177.300 -0.847 0.000 1.246 873 P CA -1.179 61.487 63.100 -0.722 0.000 0.795 873 P CB 0.261 31.613 31.700 -0.580 0.000 1.006 874 P HA 0.064 nan 4.420 nan 0.000 0.238 874 P C 0.716 177.398 177.300 -1.029 0.000 1.794 874 P CA 0.018 62.678 63.100 -0.733 0.000 1.088 874 P CB -0.836 30.570 31.700 -0.489 0.000 1.923 875 T N -2.116 111.764 114.554 -1.123 0.000 3.129 875 T HA -0.056 4.294 4.350 0.000 0.000 0.251 875 T C 1.642 176.032 174.700 -0.518 0.000 1.117 875 T CA 0.139 61.416 62.100 -1.372 0.000 1.034 875 T CB -0.205 68.066 68.868 -0.996 0.000 0.968 875 T HN 0.206 nan 8.240 nan 0.000 0.526 876 Q N 1.508 121.120 119.800 -0.313 0.000 2.096 876 Q HA -0.193 4.147 4.340 0.000 0.000 0.208 876 Q C 1.470 177.467 176.000 -0.004 0.000 0.993 876 Q CA 1.451 57.188 55.803 -0.110 0.000 0.862 876 Q CB -0.028 28.666 28.738 -0.074 0.000 0.915 876 Q HN 0.285 nan 8.270 nan 0.000 0.416 877 K N -0.644 119.792 120.400 0.060 0.000 2.404 877 K HA 0.033 4.353 4.320 0.000 0.000 0.194 877 K C -0.372 176.397 176.600 0.281 0.000 1.023 877 K CA -0.083 56.295 56.287 0.152 0.000 1.094 877 K CB 0.177 32.763 32.500 0.143 0.000 0.841 877 K HN 0.188 nan 8.250 nan 0.000 0.523 878 W N 2.278 123.559 121.300 -0.030 0.000 2.093 878 W HA 0.077 4.737 4.660 0.000 0.000 0.352 878 W C 0.676 177.204 176.519 0.014 0.000 1.294 878 W CA -0.671 56.663 57.345 -0.019 0.000 1.290 878 W CB 0.107 29.546 29.460 -0.035 0.000 1.149 878 W HN -0.052 nan 8.180 nan 0.000 0.606 879 D N 0.060 120.598 120.400 0.231 0.000 2.329 879 D HA 0.104 4.744 4.640 0.000 0.000 0.246 879 D C -0.457 175.970 176.300 0.211 0.000 1.111 879 D CA 0.011 54.106 54.000 0.159 0.000 0.941 879 D CB 0.883 41.733 40.800 0.083 0.000 1.169 879 D HN 0.027 nan 8.370 nan 0.000 0.441 880 S N 0.556 116.363 115.700 0.179 0.000 3.158 880 S HA 0.301 4.771 4.470 0.000 0.000 0.215 880 S C -0.102 174.627 174.600 0.216 0.000 1.359 880 S CA -0.417 57.908 58.200 0.208 0.000 0.974 880 S CB 0.106 63.402 63.200 0.161 0.000 1.336 880 S HN 0.320 nan 8.310 nan 0.000 0.488 881 S N 2.012 117.874 115.700 0.270 0.000 2.541 881 S HA 0.719 5.189 4.470 0.000 0.000 0.280 881 S C -0.235 174.605 174.600 0.400 0.000 1.112 881 S CA -0.617 57.744 58.200 0.268 0.000 0.925 881 S CB 1.395 64.721 63.200 0.208 0.000 1.067 881 S HN 0.594 nan 8.310 nan 0.000 0.479 882 S N 3.365 119.208 115.700 0.237 0.000 2.704 882 S HA 0.664 5.134 4.470 0.000 0.000 0.305 882 S C -2.136 172.126 174.600 -0.564 0.000 1.107 882 S CA -1.347 56.783 58.200 -0.116 0.000 0.993 882 S CB 1.490 64.572 63.200 -0.198 0.000 1.110 882 S HN 0.561 nan 8.310 nan 0.000 0.534 883 P HA 0.023 nan 4.420 nan 0.000 0.230 883 P C 0.735 177.471 177.300 -0.939 0.000 1.158 883 P CA 0.759 62.914 63.100 -1.576 0.000 0.769 883 P CB -0.212 30.426 31.700 -1.770 0.000 0.807 884 F N -0.089 119.546 119.950 -0.524 0.000 2.558 884 F HA 0.012 4.539 4.527 0.000 0.000 0.298 884 F C 2.326 178.015 175.800 -0.186 0.000 1.119 884 F CA 1.159 58.992 58.000 -0.278 0.000 1.451 884 F CB -0.939 37.948 39.000 -0.189 0.000 1.091 884 F HN -0.082 nan 8.300 nan 0.000 0.563 885 T N -1.250 113.278 114.554 -0.045 0.000 3.021 885 T HA 0.322 4.673 4.350 0.000 0.000 0.245 885 T C 1.508 176.181 174.700 -0.046 0.000 1.028 885 T CA 0.830 62.928 62.100 -0.003 0.000 1.139 885 T CB -0.574 68.323 68.868 0.048 0.000 0.884 885 T HN 0.407 nan 8.240 nan 0.000 0.457 886 G N 1.559 110.303 108.800 -0.092 0.000 2.564 886 G HA2 -0.187 3.773 3.960 0.000 0.000 0.273 886 G HA3 -0.187 3.773 3.960 0.000 0.000 0.273 886 G C -0.791 174.132 174.900 0.039 0.000 1.242 886 G CA -0.233 44.831 45.100 -0.059 0.000 0.951 886 G HN 0.452 nan 8.290 nan 0.000 0.564 887 L N 0.320 121.548 121.223 0.008 0.000 2.334 887 L HA 0.664 5.004 4.340 0.000 0.000 0.273 887 L C 1.473 178.344 176.870 0.002 0.000 1.013 887 L CA 0.417 55.271 54.840 0.023 0.000 0.816 887 L CB 2.049 44.132 42.059 0.041 0.000 1.278 887 L HN 0.956 nan 8.230 nan 0.000 0.431 888 T N -2.349 112.210 114.554 0.007 0.000 3.176 888 T HA 0.363 4.713 4.350 0.000 0.000 0.263 888 T C 0.034 174.731 174.700 -0.005 0.000 1.021 888 T CA -0.342 61.759 62.100 0.001 0.000 0.905 888 T CB -0.377 68.496 68.868 0.007 0.000 1.057 888 T HN 0.655 nan 8.240 nan 0.000 0.558 889 K N -0.937 119.458 120.400 -0.009 0.000 2.658 889 K HA 0.558 4.878 4.320 0.000 0.000 0.293 889 K C -3.663 172.912 176.600 -0.042 0.000 1.026 889 K CA -2.041 54.223 56.287 -0.040 0.000 0.871 889 K CB 0.166 32.653 32.500 -0.021 0.000 1.524 889 K HN -0.249 nan 8.250 nan 0.000 0.400 890 P HA 0.300 nan 4.420 nan 0.000 0.268 890 P C -0.437 176.995 177.300 0.219 0.000 1.205 890 P CA 0.511 63.544 63.100 -0.112 0.000 0.771 890 P CB 0.919 32.112 31.700 -0.846 0.000 0.858 891 G N 1.195 110.222 108.800 0.379 0.000 2.327 891 G HA2 0.415 4.375 3.960 0.000 0.000 0.291 891 G HA3 0.415 4.375 3.960 0.000 0.000 0.291 891 G C -2.071 172.938 174.900 0.182 0.000 1.290 891 G CA -0.660 44.605 45.100 0.276 0.000 0.857 891 G HN 0.408 nan 8.290 nan 0.000 0.520 892 I N 0.227 120.791 120.570 -0.011 0.000 2.571 892 I HA 0.544 4.714 4.170 0.000 0.000 0.289 892 I C -0.230 175.880 176.117 -0.012 0.000 1.115 892 I CA -0.751 60.549 61.300 0.000 0.000 1.045 892 I CB 2.396 40.288 38.000 -0.181 0.000 1.238 892 I HN 0.372 nan 8.210 nan 0.000 0.424 893 R N 3.983 124.515 120.500 0.055 0.000 2.803 893 R HA 0.622 4.962 4.340 0.000 0.000 0.276 893 R C -1.630 174.668 176.300 -0.002 0.000 0.978 893 R CA -0.896 55.163 56.100 -0.068 0.000 0.939 893 R CB 3.036 33.215 30.300 -0.201 0.000 1.179 893 R HN 0.411 nan 8.270 nan 0.000 0.472 894 F N 1.870 121.635 119.950 -0.308 0.000 2.482 894 F HA 0.447 4.974 4.527 0.000 0.000 0.331 894 F C -1.231 174.423 175.800 -0.244 0.000 1.115 894 F CA -0.636 57.297 58.000 -0.111 0.000 0.955 894 F CB 0.937 39.918 39.000 -0.031 0.000 1.136 894 F HN 0.348 nan 8.300 nan 0.000 0.452 895 Y N 2.557 122.711 120.300 -0.243 0.000 2.509 895 Y HA 0.605 5.155 4.550 0.000 0.000 0.341 895 Y C -0.056 176.003 175.900 0.266 0.000 1.038 895 Y CA -0.830 57.353 58.100 0.138 0.000 1.089 895 Y CB 2.164 40.697 38.460 0.122 0.000 1.241 895 Y HN 0.513 nan 8.280 nan 0.000 0.468 896 S N 0.983 117.115 115.700 0.720 0.000 2.540 896 S HA 0.816 5.286 4.470 0.000 0.000 0.275 896 S C -1.010 173.758 174.600 0.281 0.000 1.123 896 S CA -0.228 58.271 58.200 0.498 0.000 0.907 896 S CB 1.892 65.347 63.200 0.426 0.000 1.081 896 S HN 0.810 nan 8.310 nan 0.000 0.476 897 T N 1.130 115.672 114.554 -0.021 0.000 2.718 897 T HA 0.732 5.082 4.350 0.000 0.000 0.306 897 T C -1.665 172.834 174.700 -0.335 0.000 1.485 897 T CA 0.024 61.913 62.100 -0.352 0.000 0.997 897 T CB 1.212 69.410 68.868 -1.116 0.000 1.504 897 T HN 1.433 nan 8.240 nan 0.000 0.497 898 S N 1.056 116.453 115.700 -0.506 0.000 2.618 898 S HA 0.954 5.424 4.470 0.000 0.000 0.277 898 S C -1.485 172.861 174.600 -0.424 0.000 1.138 898 S CA -0.838 56.886 58.200 -0.793 0.000 0.844 898 S CB 1.804 64.025 63.200 -1.631 0.000 1.127 898 S HN 1.258 nan 8.310 nan 0.000 0.474 899 F N -1.358 118.321 119.950 -0.452 0.000 2.665 899 F HA 0.724 5.251 4.527 0.000 0.000 0.308 899 F C -1.715 173.937 175.800 -0.248 0.000 1.112 899 F CA -0.963 56.857 58.000 -0.299 0.000 0.972 899 F CB 0.655 39.519 39.000 -0.227 0.000 1.295 899 F HN 0.439 nan 8.300 nan 0.000 0.440 900 D N 2.884 123.287 120.400 0.005 0.000 2.193 900 D HA 0.648 5.288 4.640 0.000 0.000 0.249 900 D C -0.610 175.733 176.300 0.071 0.000 1.034 900 D CA -0.105 53.873 54.000 -0.038 0.000 0.902 900 D CB 2.489 43.257 40.800 -0.053 0.000 1.182 900 D HN 0.565 nan 8.370 nan 0.000 0.436 901 L N 0.756 121.987 121.223 0.013 0.000 2.354 901 L HA 0.376 4.716 4.340 0.000 0.000 0.269 901 L C -0.503 176.308 176.870 -0.098 0.000 1.005 901 L CA -0.647 54.170 54.840 -0.039 0.000 0.819 901 L CB 1.993 44.017 42.059 -0.059 0.000 1.311 901 L HN 0.276 nan 8.230 nan 0.000 0.423 902 D N 2.286 122.601 120.400 -0.141 0.000 3.118 902 D HA 0.292 4.932 4.640 0.000 0.000 0.286 902 D C -0.794 175.428 176.300 -0.130 0.000 1.255 902 D CA -0.251 53.693 54.000 -0.094 0.000 0.748 902 D CB 0.410 41.214 40.800 0.006 0.000 1.332 902 D HN 0.206 nan 8.370 nan 0.000 0.575 903 L N 0.744 121.786 121.223 -0.302 0.000 2.464 903 L HA 0.430 4.770 4.340 0.000 0.000 0.264 903 L C -1.636 175.245 176.870 0.019 0.000 1.199 903 L CA -1.812 52.902 54.840 -0.209 0.000 0.818 903 L CB 0.126 41.969 42.059 -0.360 0.000 1.102 903 L HN 0.123 nan 8.230 nan 0.000 0.473 904 P HA -0.027 nan 4.420 nan 0.000 0.258 904 P C -0.487 177.003 177.300 0.316 0.000 1.187 904 P CA 0.001 63.166 63.100 0.108 0.000 0.767 904 P CB 0.324 31.945 31.700 -0.132 0.000 0.770 905 S N 2.645 118.534 115.700 0.315 0.000 2.585 905 S HA 0.432 4.902 4.470 0.000 0.000 0.273 905 S C 1.318 176.063 174.600 0.242 0.000 1.339 905 S CA 0.203 58.564 58.200 0.267 0.000 1.028 905 S CB 0.317 63.579 63.200 0.104 0.000 0.906 905 S HN 0.898 nan 8.310 nan 0.000 0.528 906 G N 0.250 109.131 108.800 0.135 0.000 2.157 906 G HA2 -0.208 3.752 3.960 0.000 0.000 0.248 906 G HA3 -0.208 3.752 3.960 0.000 0.000 0.248 906 G C -0.377 174.415 174.900 -0.179 0.000 0.979 906 G CA 0.306 45.388 45.100 -0.030 0.000 0.650 906 G HN 0.799 nan 8.290 nan 0.000 0.529 907 Y N -0.117 120.233 120.300 0.084 0.000 2.462 907 Y HA 0.597 5.147 4.550 0.000 0.000 0.346 907 Y C -0.441 175.517 175.900 0.096 0.000 0.976 907 Y CA -1.277 56.874 58.100 0.085 0.000 1.044 907 Y CB 2.017 40.523 38.460 0.076 0.000 1.230 907 Y HN 0.037 nan 8.280 nan 0.000 0.455 908 D N 3.437 123.967 120.400 0.217 0.000 2.412 908 D HA 0.400 5.040 4.640 0.000 0.000 0.224 908 D C -1.041 175.367 176.300 0.180 0.000 1.093 908 D CA -0.020 54.069 54.000 0.147 0.000 0.850 908 D CB 0.364 41.205 40.800 0.068 0.000 1.046 908 D HN 0.447 nan 8.370 nan 0.000 0.507 909 I N 5.200 125.914 120.570 0.240 0.000 2.411 909 I HA 0.289 4.459 4.170 0.000 0.000 0.284 909 I C -2.229 174.005 176.117 0.195 0.000 1.012 909 I CA -2.154 59.261 61.300 0.191 0.000 1.119 909 I CB 2.027 40.100 38.000 0.122 0.000 1.261 909 I HN 0.099 nan 8.210 nan 0.000 0.448 910 P HA 0.255 nan 4.420 nan 0.000 0.276 910 P C -0.973 176.394 177.300 0.110 0.000 1.243 910 P CA -0.230 62.937 63.100 0.112 0.000 0.768 910 P CB 0.691 32.503 31.700 0.186 0.000 0.856 911 L N 5.159 126.385 121.223 0.005 0.000 2.329 911 L HA 0.508 4.848 4.340 0.000 0.000 0.279 911 L C -0.722 176.095 176.870 -0.088 0.000 1.014 911 L CA -0.466 54.363 54.840 -0.018 0.000 0.814 911 L CB 0.844 42.853 42.059 -0.083 0.000 1.257 911 L HN 0.322 nan 8.230 nan 0.000 0.424 912 Y N 2.167 122.416 120.300 -0.085 0.000 2.512 912 Y HA 0.538 5.088 4.550 0.000 0.000 0.348 912 Y C -0.795 175.039 175.900 -0.110 0.000 0.990 912 Y CA -0.769 57.356 58.100 0.042 0.000 1.033 912 Y CB 1.701 40.224 38.460 0.106 0.000 1.259 912 Y HN 0.276 nan 8.280 nan 0.000 0.461 913 F N 2.559 122.724 119.950 0.358 0.000 2.385 913 F HA 0.419 4.946 4.527 0.000 0.000 0.360 913 F C -0.222 175.773 175.800 0.326 0.000 1.122 913 F CA -0.690 57.426 58.000 0.194 0.000 1.090 913 F CB 0.800 39.955 39.000 0.259 0.000 1.150 913 F HN 0.391 nan 8.300 nan 0.000 0.472 914 N N 3.775 122.617 118.700 0.235 0.000 2.408 914 N HA 0.397 5.137 4.740 0.000 0.000 0.280 914 N C -1.160 174.475 175.510 0.208 0.000 1.002 914 N CA -0.511 52.712 53.050 0.288 0.000 0.907 914 N CB 1.012 39.593 38.487 0.157 0.000 1.161 914 N HN 0.228 nan 8.380 nan 0.000 0.488 915 F N 0.087 120.221 119.950 0.308 0.000 2.421 915 F HA 0.535 5.062 4.527 0.000 0.000 0.337 915 F C 1.480 177.366 175.800 0.144 0.000 1.105 915 F CA -0.722 57.350 58.000 0.120 0.000 1.049 915 F CB 1.253 39.976 39.000 -0.461 0.000 1.139 915 F HN 0.362 nan 8.300 nan 0.000 0.479 916 G N 0.931 109.917 108.800 0.310 0.000 2.507 916 G HA2 0.325 4.285 3.960 0.000 0.000 0.271 916 G HA3 0.325 4.285 3.960 0.000 0.000 0.271 916 G C -0.536 174.529 174.900 0.276 0.000 1.189 916 G CA -0.338 44.912 45.100 0.250 0.000 0.859 916 G HN 0.659 nan 8.290 nan 0.000 0.542 917 N N -0.628 118.199 118.700 0.211 0.000 2.609 917 N HA 0.048 4.788 4.740 0.000 0.000 0.251 917 N C 0.822 176.400 175.510 0.113 0.000 1.526 917 N CA -0.324 52.834 53.050 0.180 0.000 0.931 917 N CB 0.407 39.012 38.487 0.195 0.000 1.460 917 N HN 0.183 nan 8.380 nan 0.000 0.526 918 S N -1.121 114.641 115.700 0.103 0.000 2.527 918 S HA 0.003 4.473 4.470 0.000 0.000 0.222 918 S C 0.788 175.422 174.600 0.057 0.000 0.985 918 S CA 0.427 58.671 58.200 0.072 0.000 0.921 918 S CB -0.141 63.100 63.200 0.069 0.000 0.772 918 S HN 0.671 nan 8.310 nan 0.000 0.529 919 T N 1.146 115.737 114.554 0.062 0.000 2.926 919 T HA 0.216 4.566 4.350 0.000 0.000 0.307 919 T C 1.425 176.142 174.700 0.027 0.000 1.059 919 T CA 0.071 62.199 62.100 0.046 0.000 1.122 919 T CB 1.211 70.112 68.868 0.054 0.000 0.972 919 T HN 0.192 nan 8.240 nan 0.000 0.545 920 S N 1.956 117.667 115.700 0.018 0.000 2.335 920 S HA -0.011 4.460 4.470 0.000 0.000 0.217 920 S C 0.973 175.570 174.600 -0.005 0.000 1.032 920 S CA 0.328 58.532 58.200 0.006 0.000 0.985 920 S CB -0.889 62.314 63.200 0.006 0.000 0.896 920 S HN 0.800 nan 8.310 nan 0.000 0.445 921 T N 5.303 119.855 114.554 -0.004 0.000 2.727 921 T HA 0.474 4.824 4.350 0.000 0.000 0.298 921 T C -2.446 172.243 174.700 -0.017 0.000 0.942 921 T CA -1.158 60.932 62.100 -0.016 0.000 0.997 921 T CB 1.171 70.032 68.868 -0.012 0.000 0.917 921 T HN 0.394 nan 8.240 nan 0.000 0.487 922 P HA 0.404 nan 4.420 nan 0.000 0.275 922 P C -0.605 176.657 177.300 -0.063 0.000 1.227 922 P CA -0.552 62.513 63.100 -0.058 0.000 0.781 922 P CB 0.743 32.373 31.700 -0.116 0.000 0.906 923 A N 2.822 125.634 122.820 -0.014 0.000 2.351 923 A HA 0.518 4.838 4.320 0.000 0.000 0.257 923 A C 0.436 177.977 177.584 -0.071 0.000 1.087 923 A CA -0.342 51.718 52.037 0.037 0.000 0.798 923 A CB -0.065 19.064 19.000 0.215 0.000 1.033 923 A HN 0.623 nan 8.150 nan 0.000 0.488 924 A N 1.799 124.584 122.820 -0.059 0.000 2.366 924 A HA 0.631 4.951 4.320 0.000 0.000 0.322 924 A C -0.555 176.989 177.584 -0.067 0.000 1.397 924 A CA -0.323 51.609 52.037 -0.176 0.000 0.984 924 A CB -0.655 18.220 19.000 -0.209 0.000 1.149 924 A HN 1.591 nan 8.150 nan 0.000 0.540 925 Y N -0.453 119.724 120.300 -0.204 0.000 2.581 925 Y HA 0.787 5.337 4.550 0.000 0.000 0.337 925 Y C -0.801 174.984 175.900 -0.191 0.000 1.108 925 Y CA -1.502 56.500 58.100 -0.163 0.000 1.033 925 Y CB 1.149 39.582 38.460 -0.045 0.000 1.318 925 Y HN 0.493 nan 8.280 nan 0.000 0.459 926 R N 1.858 122.408 120.500 0.083 0.000 2.599 926 R HA 0.830 5.170 4.340 0.000 0.000 0.295 926 R C -1.719 174.727 176.300 0.244 0.000 0.963 926 R CA -1.197 54.921 56.100 0.030 0.000 0.883 926 R CB 2.681 32.912 30.300 -0.115 0.000 1.171 926 R HN 0.604 nan 8.270 nan 0.000 0.450 927 V N 2.517 122.539 119.914 0.181 0.000 2.735 927 V HA 0.336 4.456 4.120 0.000 0.000 0.310 927 V C -0.687 175.451 176.094 0.074 0.000 1.061 927 V CA -0.874 61.513 62.300 0.145 0.000 0.913 927 V CB 2.200 34.042 31.823 0.032 0.000 1.005 927 V HN 0.693 nan 8.190 nan 0.000 0.428 928 Q N 2.833 122.686 119.800 0.088 0.000 2.331 928 Q HA 0.578 4.918 4.340 0.000 0.000 0.267 928 Q C -1.312 174.565 176.000 -0.205 0.000 1.006 928 Q CA -0.808 54.957 55.803 -0.064 0.000 0.818 928 Q CB 2.737 31.470 28.738 -0.008 0.000 1.276 928 Q HN 0.573 nan 8.270 nan 0.000 0.450 929 L N 3.477 124.536 121.223 -0.274 0.000 2.264 929 L HA 0.402 4.742 4.340 0.000 0.000 0.289 929 L C -1.810 174.940 176.870 -0.200 0.000 1.044 929 L CA -0.132 54.620 54.840 -0.147 0.000 0.807 929 L CB 0.299 42.315 42.059 -0.072 0.000 1.192 929 L HN 0.445 nan 8.230 nan 0.000 0.425 930 Y N 4.222 124.669 120.300 0.244 0.000 2.331 930 Y HA 0.617 5.167 4.550 0.000 0.000 0.334 930 Y C -0.354 175.708 175.900 0.270 0.000 0.960 930 Y CA -0.944 57.354 58.100 0.331 0.000 1.130 930 Y CB 1.967 40.684 38.460 0.427 0.000 1.164 930 Y HN 0.252 nan 8.280 nan 0.000 0.458 931 V N 3.587 123.760 119.914 0.433 0.000 2.350 931 V HA 0.230 4.350 4.120 0.000 0.000 0.285 931 V C -0.179 176.150 176.094 0.393 0.000 1.014 931 V CA -1.339 61.157 62.300 0.328 0.000 0.831 931 V CB 0.855 32.818 31.823 0.233 0.000 1.000 931 V HN 0.996 nan 8.190 nan 0.000 0.433 932 N N 4.094 123.008 118.700 0.357 0.000 2.721 932 N HA -0.249 4.491 4.740 0.000 0.000 0.249 932 N C 1.179 176.884 175.510 0.325 0.000 1.072 932 N CA 0.743 53.999 53.050 0.343 0.000 0.710 932 N CB -0.780 37.892 38.487 0.308 0.000 0.993 932 N HN 1.334 nan 8.380 nan 0.000 0.547 933 G N -2.024 106.970 108.800 0.324 0.000 2.253 933 G HA2 -0.375 3.585 3.960 0.000 0.000 0.251 933 G HA3 -0.375 3.585 3.960 0.000 0.000 0.251 933 G C -0.138 174.964 174.900 0.336 0.000 0.998 933 G CA 0.330 45.567 45.100 0.227 0.000 0.621 933 G HN 0.453 nan 8.290 nan 0.000 0.524 934 Y N 1.687 122.266 120.300 0.466 0.000 2.350 934 Y HA 0.530 5.080 4.550 0.000 0.000 0.340 934 Y C 0.855 177.137 175.900 0.636 0.000 1.006 934 Y CA -0.428 57.989 58.100 0.529 0.000 1.166 934 Y CB 1.175 39.869 38.460 0.390 0.000 1.168 934 Y HN 0.130 nan 8.280 nan 0.000 0.502 935 Q N 3.639 123.879 119.800 0.733 0.000 2.296 935 Q HA 0.026 4.366 4.340 0.000 0.000 0.263 935 Q C -1.256 175.008 176.000 0.438 0.000 1.026 935 Q CA 0.161 56.212 55.803 0.414 0.000 0.912 935 Q CB 0.335 29.219 28.738 0.243 0.000 1.198 935 Q HN 0.879 nan 8.270 nan 0.000 0.407 936 Y N 2.164 122.629 120.300 0.274 0.000 2.713 936 Y HA 0.409 4.959 4.550 0.000 0.000 0.269 936 Y C 0.286 176.389 175.900 0.339 0.000 1.106 936 Y CA 0.108 58.421 58.100 0.356 0.000 1.174 936 Y CB 1.310 39.972 38.460 0.336 0.000 1.186 936 Y HN 0.719 nan 8.280 nan 0.000 0.555 937 G N 0.828 109.786 108.800 0.262 0.000 2.380 937 G HA2 0.269 4.229 3.960 0.000 0.000 0.305 937 G HA3 0.269 4.229 3.960 0.000 0.000 0.305 937 G C -1.723 173.214 174.900 0.061 0.000 1.672 937 G CA -1.106 44.115 45.100 0.201 0.000 0.904 937 G HN -0.033 nan 8.290 nan 0.000 0.686 938 K N 1.303 121.875 120.400 0.287 0.000 2.450 938 K HA 0.375 4.695 4.320 0.000 0.000 0.257 938 K C -1.714 175.145 176.600 0.431 0.000 0.953 938 K CA -0.850 55.620 56.287 0.304 0.000 0.844 938 K CB 2.560 35.329 32.500 0.449 0.000 1.103 938 K HN 0.531 nan 8.250 nan 0.000 0.429 939 Y N 2.493 122.791 120.300 -0.003 0.000 2.328 939 Y HA 0.330 4.880 4.550 0.000 0.000 0.337 939 Y C -0.973 174.867 175.900 -0.099 0.000 0.966 939 Y CA -0.799 57.257 58.100 -0.074 0.000 1.136 939 Y CB 1.163 39.195 38.460 -0.713 0.000 1.170 939 Y HN 0.208 nan 8.280 nan 0.000 0.470 940 V N 7.405 127.011 119.914 -0.514 0.000 2.305 940 V HA 0.110 4.230 4.120 0.000 0.000 0.275 940 V C 0.680 176.243 176.094 -0.885 0.000 1.020 940 V CA -0.745 61.198 62.300 -0.595 0.000 0.811 940 V CB 0.959 32.492 31.823 -0.482 0.000 1.031 940 V HN 0.922 nan 8.190 nan 0.000 0.439 941 N N 4.556 122.586 118.700 -1.118 0.000 2.094 941 N HA -0.211 4.529 4.740 0.000 0.000 0.191 941 N C 1.686 176.851 175.510 -0.576 0.000 1.023 941 N CA 2.287 54.746 53.050 -0.984 0.000 0.857 941 N CB 0.110 37.833 38.487 -1.274 0.000 1.013 941 N HN 0.798 nan 8.380 nan 0.000 0.426 942 N N -0.456 117.936 118.700 -0.512 0.000 2.398 942 N HA -0.029 4.712 4.740 0.000 0.000 0.188 942 N C 1.150 176.472 175.510 -0.313 0.000 1.122 942 N CA 0.549 53.381 53.050 -0.363 0.000 0.866 942 N CB 0.233 38.505 38.487 -0.357 0.000 0.970 942 N HN 0.441 nan 8.380 nan 0.000 0.462 943 I N -0.777 119.599 120.570 -0.323 0.000 3.812 943 I HA 0.218 4.388 4.170 0.000 0.000 0.292 943 I C 1.251 177.291 176.117 -0.129 0.000 1.206 943 I CA 0.462 61.634 61.300 -0.213 0.000 1.370 943 I CB 0.094 37.955 38.000 -0.233 0.000 1.328 943 I HN 0.211 nan 8.210 nan 0.000 0.453 944 G N 2.741 111.449 108.800 -0.153 0.000 2.698 944 G HA2 -0.207 3.753 3.960 0.000 0.000 0.233 944 G HA3 -0.207 3.753 3.960 0.000 0.000 0.233 944 G C -2.267 172.480 174.900 -0.255 0.000 1.352 944 G CA 0.014 45.002 45.100 -0.186 0.000 0.879 944 G HN 0.195 nan 8.290 nan 0.000 0.567 945 P HA 0.126 nan 4.420 nan 0.000 0.267 945 P C 0.440 177.544 177.300 -0.326 0.000 1.289 945 P CA 0.332 63.213 63.100 -0.365 0.000 0.866 945 P CB 0.418 31.920 31.700 -0.330 0.000 1.309 946 Q N 1.236 120.748 119.800 -0.480 0.000 2.296 946 Q HA 0.199 4.539 4.340 0.000 0.000 0.262 946 Q C 0.689 176.745 176.000 0.093 0.000 0.981 946 Q CA 0.458 56.100 55.803 -0.270 0.000 0.905 946 Q CB 0.602 29.086 28.738 -0.424 0.000 1.186 946 Q HN 0.045 nan 8.270 nan 0.000 0.399 947 T N -1.203 113.451 114.554 0.166 0.000 2.958 947 T HA 0.178 4.528 4.350 0.000 0.000 0.256 947 T C 0.451 175.475 174.700 0.539 0.000 0.983 947 T CA -0.190 62.218 62.100 0.513 0.000 0.924 947 T CB 0.563 69.663 68.868 0.387 0.000 1.136 947 T HN 0.279 nan 8.240 nan 0.000 0.506 948 S N 0.875 116.701 115.700 0.210 0.000 2.474 948 S HA 0.676 5.146 4.470 0.000 0.000 0.321 948 S C -1.620 173.116 174.600 0.226 0.000 1.080 948 S CA -0.785 57.609 58.200 0.323 0.000 1.106 948 S CB -0.020 63.291 63.200 0.184 0.000 0.984 948 S HN 0.294 nan 8.310 nan 0.000 0.464 949 F N 6.651 126.966 119.950 0.608 0.000 2.325 949 F HA 0.414 4.941 4.527 0.000 0.000 0.369 949 F C -1.955 174.155 175.800 0.517 0.000 1.095 949 F CA -2.278 56.075 58.000 0.587 0.000 1.082 949 F CB 1.534 40.907 39.000 0.622 0.000 1.289 949 F HN 0.356 nan 8.300 nan 0.000 0.462 950 P HA 0.237 nan 4.420 nan 0.000 0.275 950 P C -0.841 176.571 177.300 0.187 0.000 1.227 950 P CA -0.144 62.916 63.100 -0.067 0.000 0.781 950 P CB 2.306 33.769 31.700 -0.395 0.000 0.906 951 V N 4.673 124.617 119.914 0.050 0.000 2.569 951 V HA 0.327 4.447 4.120 0.000 0.000 0.301 951 V C -2.061 173.951 176.094 -0.137 0.000 1.044 951 V CA -1.917 60.316 62.300 -0.112 0.000 0.874 951 V CB 2.021 33.868 31.823 0.041 0.000 1.002 951 V HN 0.580 nan 8.190 nan 0.000 0.424 952 P HA 0.188 nan 4.420 nan 0.000 0.274 952 P C -0.361 176.812 177.300 -0.211 0.000 1.231 952 P CA -0.288 62.711 63.100 -0.168 0.000 0.790 952 P CB 1.169 32.780 31.700 -0.149 0.000 0.951 953 E N 0.269 120.293 120.200 -0.294 0.000 2.414 953 E HA 0.261 4.611 4.350 0.000 0.000 0.263 953 E C 0.951 177.328 176.600 -0.372 0.000 1.000 953 E CA 0.726 56.782 56.400 -0.574 0.000 0.914 953 E CB -0.359 28.725 29.700 -1.027 0.000 0.948 953 E HN 0.767 nan 8.360 nan 0.000 0.444 954 G N 4.413 113.031 108.800 -0.303 0.000 2.436 954 G HA2 -0.207 3.753 3.960 0.000 0.000 0.204 954 G HA3 -0.207 3.753 3.960 0.000 0.000 0.204 954 G C 0.706 175.464 174.900 -0.238 0.000 1.026 954 G CA 0.158 45.110 45.100 -0.246 0.000 0.658 954 G HN 0.502 nan 8.290 nan 0.000 0.499 955 I N 1.138 121.544 120.570 -0.274 0.000 2.556 955 I HA 0.388 4.558 4.170 0.000 0.000 0.251 955 I C 1.469 177.532 176.117 -0.090 0.000 1.105 955 I CA 0.620 61.746 61.300 -0.289 0.000 1.436 955 I CB -0.742 36.975 38.000 -0.472 0.000 1.139 955 I HN 0.142 nan 8.210 nan 0.000 0.438 956 L N 2.075 123.270 121.223 -0.047 0.000 2.334 956 L HA 0.246 4.586 4.340 0.000 0.000 0.277 956 L C -0.134 176.798 176.870 0.103 0.000 1.075 956 L CA -0.269 54.638 54.840 0.112 0.000 0.804 956 L CB 0.698 42.924 42.059 0.279 0.000 1.174 956 L HN 0.160 nan 8.230 nan 0.000 0.438 957 N N 2.590 121.366 118.700 0.126 0.000 2.457 957 N HA 0.114 4.854 4.740 0.000 0.000 0.250 957 N C 0.035 175.672 175.510 0.212 0.000 0.982 957 N CA -0.406 52.714 53.050 0.117 0.000 0.941 957 N CB 1.125 39.648 38.487 0.059 0.000 1.120 957 N HN 0.454 nan 8.380 nan 0.000 0.505 958 Y N 0.519 120.760 120.300 -0.098 0.000 2.616 958 Y HA -0.018 4.532 4.550 0.000 0.000 0.296 958 Y C 0.530 176.045 175.900 -0.642 0.000 1.154 958 Y CA 0.566 58.481 58.100 -0.309 0.000 1.325 958 Y CB -0.104 38.159 38.460 -0.329 0.000 1.007 958 Y HN 0.536 nan 8.280 nan 0.000 0.542 959 H N -1.632 117.525 119.070 0.144 0.000 2.924 959 H HA 0.550 5.106 4.556 0.000 0.000 0.229 959 H C 0.599 175.950 175.328 0.039 0.000 1.345 959 H CA 0.003 56.094 56.048 0.072 0.000 1.044 959 H CB 0.448 30.248 29.762 0.064 0.000 2.221 959 H HN 0.151 nan 8.280 nan 0.000 0.574 960 G N -0.829 108.012 108.800 0.068 0.000 2.561 960 G HA2 0.306 4.266 3.960 0.000 0.000 0.310 960 G HA3 0.306 4.266 3.960 0.000 0.000 0.310 960 G C -0.968 173.903 174.900 -0.048 0.000 1.292 960 G CA -0.780 44.339 45.100 0.031 0.000 0.811 960 G HN 0.041 nan 8.290 nan 0.000 0.482 961 T N 1.779 116.291 114.554 -0.071 0.000 2.897 961 T HA 0.492 4.842 4.350 0.000 0.000 0.294 961 T C -0.199 174.328 174.700 -0.289 0.000 1.004 961 T CA -0.193 61.779 62.100 -0.214 0.000 1.106 961 T CB 0.563 69.334 68.868 -0.162 0.000 0.949 961 T HN 0.388 nan 8.240 nan 0.000 0.520 962 N N 1.292 119.607 118.700 -0.641 0.000 2.258 962 N HA 0.307 5.047 4.740 0.000 0.000 0.299 962 N C -1.563 173.447 175.510 -0.833 0.000 1.047 962 N CA -0.519 52.136 53.050 -0.659 0.000 0.814 962 N CB 1.971 39.858 38.487 -1.001 0.000 1.413 962 N HN 0.563 nan 8.380 nan 0.000 0.478 963 W N 2.126 123.291 121.300 -0.225 0.000 2.361 963 W HA 0.449 5.109 4.660 0.000 0.000 0.314 963 W C -0.193 176.334 176.519 0.013 0.000 1.041 963 W CA -0.619 56.661 57.345 -0.108 0.000 1.241 963 W CB 0.848 30.290 29.460 -0.030 0.000 1.279 963 W HN 0.238 nan 8.180 nan 0.000 0.436 964 L N 4.007 125.340 121.223 0.183 0.000 2.309 964 L HA 0.900 5.240 4.340 0.000 0.000 0.282 964 L C -0.334 176.742 176.870 0.344 0.000 1.036 964 L CA -0.610 54.399 54.840 0.280 0.000 0.806 964 L CB 1.045 43.301 42.059 0.329 0.000 1.220 964 L HN 0.453 nan 8.230 nan 0.000 0.429 965 A N 5.582 128.646 122.820 0.407 0.000 2.539 965 A HA 0.896 5.216 4.320 0.000 0.000 0.296 965 A C -1.757 176.034 177.584 0.346 0.000 1.073 965 A CA -0.553 51.685 52.037 0.335 0.000 0.700 965 A CB 1.375 20.584 19.000 0.348 0.000 1.296 965 A HN 0.678 nan 8.150 nan 0.000 0.405 966 L N 1.036 122.294 121.223 0.058 0.000 2.472 966 L HA 0.598 4.938 4.340 0.000 0.000 0.260 966 L C 0.004 176.897 176.870 0.038 0.000 0.963 966 L CA -0.686 54.239 54.840 0.142 0.000 0.829 966 L CB 2.662 44.770 42.059 0.081 0.000 1.348 966 L HN 0.834 nan 8.230 nan 0.000 0.408 967 S N 2.049 117.946 115.700 0.329 0.000 2.475 967 S HA 0.792 5.262 4.470 0.000 0.000 0.298 967 S C -0.935 173.858 174.600 0.322 0.000 1.119 967 S CA -0.696 57.770 58.200 0.443 0.000 1.085 967 S CB 2.128 65.688 63.200 0.600 0.000 1.028 967 S HN 0.472 nan 8.310 nan 0.000 0.489 968 L N 3.684 125.100 121.223 0.322 0.000 2.372 968 L HA 0.599 4.939 4.340 0.000 0.000 0.273 968 L C -1.717 175.354 176.870 0.334 0.000 0.989 968 L CA -0.511 54.485 54.840 0.260 0.000 0.841 968 L CB 1.233 43.390 42.059 0.164 0.000 1.225 968 L HN 0.929 nan 8.230 nan 0.000 0.414 969 W N 6.557 127.945 121.300 0.148 0.000 2.278 969 W HA 0.734 5.394 4.660 0.000 0.000 0.317 969 W C -0.745 175.861 176.519 0.145 0.000 1.030 969 W CA -1.634 55.801 57.345 0.150 0.000 1.334 969 W CB 1.232 30.784 29.460 0.153 0.000 1.215 969 W HN 0.772 nan 8.180 nan 0.000 0.405 970 A N 5.255 128.359 122.820 0.473 0.000 2.309 970 A HA 0.341 4.661 4.320 0.000 0.000 0.290 970 A C 0.286 178.016 177.584 0.242 0.000 1.206 970 A CA -0.184 52.008 52.037 0.257 0.000 0.850 970 A CB 0.500 19.586 19.000 0.144 0.000 1.118 970 A HN 0.676 nan 8.150 nan 0.000 0.523 971 Q N 1.362 121.190 119.800 0.048 0.000 2.206 971 Q HA 0.135 4.475 4.340 0.000 0.000 0.265 971 Q C -0.631 175.359 176.000 -0.016 0.000 0.866 971 Q CA 0.079 55.868 55.803 -0.024 0.000 1.073 971 Q CB 0.269 28.839 28.738 -0.280 0.000 1.165 971 Q HN 0.954 nan 8.270 nan 0.000 0.465 972 E N -1.398 118.799 120.200 -0.006 0.000 2.383 972 E HA 0.221 4.571 4.350 0.000 0.000 0.275 972 E C -0.624 175.944 176.600 -0.053 0.000 0.918 972 E CA -0.738 55.655 56.400 -0.012 0.000 0.764 972 E CB 1.071 30.767 29.700 -0.007 0.000 1.252 972 E HN -0.212 nan 8.360 nan 0.000 0.449 973 D N 1.082 121.462 120.400 -0.035 0.000 2.221 973 D HA -0.167 4.473 4.640 0.000 0.000 0.204 973 D C 1.169 177.439 176.300 -0.049 0.000 0.982 973 D CA 1.342 55.303 54.000 -0.064 0.000 0.857 973 D CB -0.125 40.680 40.800 0.009 0.000 0.934 973 D HN 0.474 nan 8.370 nan 0.000 0.475 974 N N -0.021 118.667 118.700 -0.020 0.000 2.515 974 N HA 0.051 4.791 4.740 0.000 0.000 0.185 974 N C 0.804 176.308 175.510 -0.011 0.000 1.109 974 N CA 0.849 53.894 53.050 -0.008 0.000 0.903 974 N CB 0.403 38.893 38.487 0.005 0.000 0.969 974 N HN 0.228 nan 8.380 nan 0.000 0.450 975 G N -0.913 107.876 108.800 -0.018 0.000 2.568 975 G HA2 0.249 4.209 3.960 0.000 0.000 0.222 975 G HA3 0.249 4.209 3.960 0.000 0.000 0.222 975 G C -0.941 173.954 174.900 -0.008 0.000 1.321 975 G CA -0.314 44.780 45.100 -0.010 0.000 0.893 975 G HN 0.836 nan 8.290 nan 0.000 0.569 976 A N -0.585 122.203 122.820 -0.052 0.000 2.599 976 A HA 0.925 5.245 4.320 0.000 0.000 0.294 976 A C -0.565 176.854 177.584 -0.276 0.000 1.055 976 A CA 0.616 52.558 52.037 -0.158 0.000 0.683 976 A CB 1.499 20.380 19.000 -0.199 0.000 1.278 976 A HN 2.148 nan 8.150 nan 0.000 0.412 977 K N 1.085 121.254 120.400 -0.384 0.000 2.575 977 K HA 0.735 5.055 4.320 0.000 0.000 0.279 977 K C -1.636 174.711 176.600 -0.422 0.000 0.969 977 K CA -0.923 55.135 56.287 -0.382 0.000 0.868 977 K CB 1.260 33.643 32.500 -0.194 0.000 1.457 977 K HN 0.518 nan 8.250 nan 0.000 0.426 978 L N 2.039 122.981 121.223 -0.468 0.000 2.305 978 L HA 0.200 4.540 4.340 0.000 0.000 0.281 978 L C 0.228 177.037 176.870 -0.103 0.000 1.085 978 L CA -0.537 54.091 54.840 -0.353 0.000 0.813 978 L CB 0.884 42.523 42.059 -0.699 0.000 1.157 978 L HN 0.755 nan 8.230 nan 0.000 0.436 979 D N 0.374 120.822 120.400 0.079 0.000 2.262 979 D HA -0.000 4.640 4.640 0.000 0.000 0.212 979 D C 0.559 177.028 176.300 0.283 0.000 0.964 979 D CA 0.832 54.938 54.000 0.177 0.000 0.875 979 D CB 0.786 41.672 40.800 0.143 0.000 0.996 979 D HN 0.395 nan 8.370 nan 0.000 0.497 980 S N -0.595 115.268 115.700 0.273 0.000 2.619 980 S HA 0.498 4.968 4.470 0.000 0.000 0.280 980 S C -1.988 172.814 174.600 0.337 0.000 1.150 980 S CA -0.645 57.745 58.200 0.317 0.000 0.978 980 S CB 0.788 64.107 63.200 0.198 0.000 1.041 980 S HN 0.010 nan 8.310 nan 0.000 0.485 981 F N 4.163 124.227 119.950 0.190 0.000 2.787 981 F HA 0.544 5.071 4.527 0.000 0.000 0.340 981 F C -1.019 174.835 175.800 0.090 0.000 1.232 981 F CA -0.630 57.345 58.000 -0.041 0.000 1.051 981 F CB 1.181 40.029 39.000 -0.252 0.000 1.330 981 F HN 0.679 nan 8.300 nan 0.000 0.522 982 E N 4.595 124.620 120.200 -0.291 0.000 2.392 982 E HA 0.586 4.936 4.350 0.000 0.000 0.269 982 E C -1.975 174.352 176.600 -0.455 0.000 0.924 982 E CA -1.459 54.740 56.400 -0.335 0.000 0.784 982 E CB 3.112 32.716 29.700 -0.159 0.000 1.292 982 E HN 0.447 nan 8.360 nan 0.000 0.447 983 L N 3.123 124.049 121.223 -0.495 0.000 2.298 983 L HA 0.542 4.882 4.340 0.000 0.000 0.284 983 L C -0.962 175.667 176.870 -0.402 0.000 1.013 983 L CA -0.281 54.169 54.840 -0.650 0.000 0.824 983 L CB 0.595 42.145 42.059 -0.848 0.000 1.221 983 L HN 0.594 nan 8.230 nan 0.000 0.418 984 I N 1.994 122.399 120.570 -0.275 0.000 3.002 984 I HA 0.751 4.921 4.170 0.000 0.000 0.310 984 I C -1.029 175.043 176.117 -0.075 0.000 1.087 984 I CA -0.874 60.329 61.300 -0.161 0.000 1.017 984 I CB 2.443 40.380 38.000 -0.105 0.000 1.226 984 I HN 0.745 nan 8.210 nan 0.000 0.443 985 N N 0.621 119.285 118.700 -0.059 0.000 2.328 985 N HA 0.764 5.504 4.740 0.000 0.000 0.299 985 N C -0.672 174.855 175.510 0.029 0.000 1.179 985 N CA -0.480 52.575 53.050 0.008 0.000 0.793 985 N CB 2.142 40.589 38.487 -0.066 0.000 1.366 985 N HN 0.854 nan 8.380 nan 0.000 0.493 986 T N -3.023 111.587 114.554 0.092 0.000 2.870 986 T HA 0.416 4.766 4.350 0.000 0.000 0.277 986 T C -0.133 174.594 174.700 0.045 0.000 1.000 986 T CA -0.809 61.327 62.100 0.061 0.000 0.982 986 T CB 0.301 69.237 68.868 0.113 0.000 1.249 986 T HN 0.490 nan 8.240 nan 0.000 0.589 987 T N 3.643 118.213 114.554 0.027 0.000 2.656 987 T HA 0.113 4.463 4.350 0.000 0.000 0.258 987 T C -2.350 172.375 174.700 0.041 0.000 1.020 987 T CA -0.100 62.011 62.100 0.018 0.000 1.191 987 T CB -0.702 68.143 68.868 -0.038 0.000 1.004 987 T HN 0.427 nan 8.240 nan 0.000 0.498 988 P HA 0.245 nan 4.420 nan 0.000 0.276 988 P C -0.675 176.811 177.300 0.309 0.000 1.243 988 P CA -0.376 62.816 63.100 0.154 0.000 0.768 988 P CB 0.555 32.253 31.700 -0.003 0.000 0.856 989 V N 5.688 125.739 119.914 0.228 0.000 2.364 989 V HA 0.107 4.227 4.120 0.000 0.000 0.272 989 V C 0.440 176.652 176.094 0.196 0.000 1.036 989 V CA -0.740 61.621 62.300 0.103 0.000 0.880 989 V CB 1.086 32.816 31.823 -0.156 0.000 0.991 989 V HN 0.407 nan 8.190 nan 0.000 0.460 990 L N 5.839 127.193 121.223 0.219 0.000 2.562 990 L HA 0.329 4.670 4.340 0.000 0.000 0.271 990 L C 0.377 177.230 176.870 -0.029 0.000 1.167 990 L CA 1.383 56.150 54.840 -0.122 0.000 0.917 990 L CB 0.605 42.740 42.059 0.126 0.000 1.187 990 L HN 0.823 nan 8.230 nan 0.000 0.482 991 T N 1.804 116.289 114.554 -0.115 0.000 2.924 991 T HA 0.479 4.829 4.350 0.000 0.000 0.291 991 T C 0.772 175.443 174.700 -0.049 0.000 1.045 991 T CA 0.019 62.085 62.100 -0.057 0.000 1.015 991 T CB 1.453 70.301 68.868 -0.032 0.000 1.103 991 T HN 0.704 nan 8.240 nan 0.000 0.496 992 S N 2.597 118.270 115.700 -0.045 0.000 2.540 992 S HA 0.236 4.706 4.470 0.000 0.000 0.218 992 S C 0.553 175.134 174.600 -0.030 0.000 0.977 992 S CA -0.445 57.739 58.200 -0.027 0.000 0.918 992 S CB -0.298 62.887 63.200 -0.025 0.000 0.806 992 S HN 0.548 nan 8.310 nan 0.000 0.496 993 L N 3.572 124.771 121.223 -0.040 0.000 2.525 993 L HA 0.490 4.830 4.340 0.000 0.000 0.278 993 L C 0.889 177.740 176.870 -0.031 0.000 1.218 993 L CA 0.299 55.115 54.840 -0.039 0.000 0.878 993 L CB -0.106 41.926 42.059 -0.044 0.000 1.127 993 L HN 0.318 nan 8.230 nan 0.000 0.492 994 G N 3.801 112.582 108.800 -0.032 0.000 2.636 994 G HA2 0.117 4.077 3.960 0.000 0.000 0.246 994 G HA3 0.117 4.077 3.960 0.000 0.000 0.246 994 G C -0.496 174.382 174.900 -0.036 0.000 1.216 994 G CA -0.648 44.434 45.100 -0.031 0.000 0.854 994 G HN 0.777 nan 8.290 nan 0.000 0.572 995 E N -0.734 119.446 120.200 -0.033 0.000 2.465 995 E HA 0.112 4.462 4.350 0.000 0.000 0.260 995 E C -0.076 176.492 176.600 -0.053 0.000 0.980 995 E CA -0.188 56.192 56.400 -0.035 0.000 0.927 995 E CB 1.057 30.735 29.700 -0.037 0.000 0.934 995 E HN 0.090 nan 8.360 nan 0.000 0.459 996 V N 4.766 124.635 119.914 -0.074 0.000 2.508 996 V HA 0.003 4.123 4.120 0.000 0.000 0.281 996 V C 0.430 176.467 176.094 -0.096 0.000 1.041 996 V CA 0.009 62.240 62.300 -0.114 0.000 1.016 996 V CB 0.496 32.207 31.823 -0.187 0.000 0.984 996 V HN 0.544 nan 8.190 nan 0.000 0.478 997 K N 3.291 123.635 120.400 -0.092 0.000 2.234 997 K HA 0.350 4.670 4.320 0.000 0.000 0.282 997 K C 0.205 176.752 176.600 -0.088 0.000 1.039 997 K CA -0.235 56.010 56.287 -0.070 0.000 0.928 997 K CB 0.986 33.453 32.500 -0.055 0.000 1.039 997 K HN 0.643 nan 8.250 nan 0.000 0.470 998 S N 1.853 117.517 115.700 -0.060 0.000 2.549 998 S HA 0.029 4.499 4.470 0.000 0.000 0.283 998 S C 0.508 175.074 174.600 -0.057 0.000 1.320 998 S CA -0.867 57.296 58.200 -0.063 0.000 1.058 998 S CB 0.452 63.643 63.200 -0.014 0.000 0.882 998 S HN 0.442 nan 8.310 nan 0.000 0.498 999 V N 2.431 122.290 119.914 -0.091 0.000 3.264 999 V HA 0.295 4.415 4.120 0.000 0.000 0.304 999 V C 0.541 176.654 176.094 0.031 0.000 1.086 999 V CA -1.071 61.188 62.300 -0.068 0.000 1.090 999 V CB 0.347 32.066 31.823 -0.173 0.000 1.112 999 V HN 0.895 nan 8.190 nan 0.000 0.472 1000 N N 1.407 120.151 118.700 0.073 0.000 2.411 1000 N HA 0.064 4.805 4.740 0.000 0.000 0.261 1000 N C -0.299 175.329 175.510 0.197 0.000 1.248 1000 N CA 0.050 53.167 53.050 0.112 0.000 0.885 1000 N CB 0.227 38.779 38.487 0.109 0.000 1.062 1000 N HN 0.799 nan 8.380 nan 0.000 0.471 1001 Q N 3.492 123.384 119.800 0.153 0.000 2.965 1001 Q HA 0.282 4.622 4.340 0.000 0.000 0.288 1001 Q C -2.441 173.598 176.000 0.064 0.000 0.974 1001 Q CA -1.616 54.288 55.803 0.168 0.000 0.849 1001 Q CB 1.505 30.358 28.738 0.192 0.000 1.280 1001 Q HN 0.543 nan 8.270 nan 0.000 0.441 1002 P HA -0.142 nan 4.420 nan 0.000 0.260 1002 P C -0.501 176.762 177.300 -0.061 0.000 1.172 1002 P CA 0.566 63.654 63.100 -0.019 0.000 0.760 1002 P CB 0.559 32.245 31.700 -0.022 0.000 0.773 1003 K N 2.520 122.873 120.400 -0.078 0.000 2.107 1003 K HA 0.156 4.476 4.320 0.000 0.000 0.251 1003 K C 0.187 176.714 176.600 -0.121 0.000 1.012 1003 K CA -0.585 55.630 56.287 -0.120 0.000 0.920 1003 K CB 0.263 32.686 32.500 -0.128 0.000 1.033 1003 K HN 0.390 nan 8.250 nan 0.000 0.478 1004 Y N 1.644 121.812 120.300 -0.219 0.000 2.702 1004 Y HA -0.115 4.435 4.550 0.000 0.000 0.336 1004 Y C -0.570 175.259 175.900 -0.119 0.000 1.235 1004 Y CA 0.718 58.717 58.100 -0.167 0.000 1.492 1004 Y CB 0.504 38.873 38.460 -0.153 0.000 1.308 1004 Y HN 0.400 nan 8.280 nan 0.000 0.589 1005 Q N 4.675 123.797 119.800 -1.129 0.000 2.289 1005 Q HA 0.589 4.929 4.340 0.000 0.000 0.270 1005 Q C -1.067 174.331 176.000 -1.004 0.000 1.038 1005 Q CA -1.007 54.243 55.803 -0.920 0.000 0.812 1005 Q CB 2.022 30.514 28.738 -0.410 0.000 1.300 1005 Q HN 0.962 nan 8.270 nan 0.000 0.427 1006 A N 2.812 125.204 122.820 -0.713 0.000 2.566 1006 A HA 0.086 4.406 4.320 0.000 0.000 0.245 1006 A C -0.244 177.222 177.584 -0.196 0.000 1.056 1006 A CA 0.463 52.344 52.037 -0.260 0.000 0.757 1006 A CB 0.057 19.035 19.000 -0.036 0.000 0.979 1006 A HN 0.600 nan 8.150 nan 0.000 0.508 1007 R N 2.013 122.430 120.500 -0.138 0.000 2.312 1007 R HA 0.286 4.626 4.340 0.000 0.000 0.311 1007 R C 0.118 176.373 176.300 -0.076 0.000 1.004 1007 R CA -0.592 55.435 56.100 -0.123 0.000 0.902 1007 R CB 1.334 31.547 30.300 -0.144 0.000 1.073 1007 R HN 0.790 nan 8.270 nan 0.000 0.457 1008 K N 1.073 121.436 120.400 -0.062 0.000 2.350 1008 K HA 0.096 4.416 4.320 0.000 0.000 0.279 1008 K C 0.635 177.221 176.600 -0.022 0.000 1.027 1008 K CA 0.868 57.137 56.287 -0.031 0.000 0.969 1008 K CB 0.642 33.126 32.500 -0.027 0.000 0.954 1008 K HN 0.780 nan 8.250 nan 0.000 0.474 1009 G N 1.813 110.620 108.800 0.012 0.000 2.155 1009 G HA2 -0.310 3.650 3.960 0.000 0.000 0.257 1009 G HA3 -0.310 3.650 3.960 0.000 0.000 0.257 1009 G C 0.157 175.079 174.900 0.037 0.000 0.983 1009 G CA 0.319 45.451 45.100 0.053 0.000 0.676 1009 G HN 0.904 nan 8.290 nan 0.000 0.528 1010 A N -0.491 122.303 122.820 -0.043 0.000 2.366 1010 A HA 0.835 5.155 4.320 0.000 0.000 0.249 1010 A C 0.048 177.620 177.584 -0.020 0.000 1.084 1010 A CA 0.797 52.724 52.037 -0.184 0.000 0.794 1010 A CB 0.444 19.333 19.000 -0.185 0.000 1.034 1010 A HN 1.873 nan 8.150 nan 0.000 0.491 1011 Y N 0.000 120.338 120.300 0.063 0.000 2.660 1011 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 1011 Y CA 0.000 58.227 58.100 0.211 0.000 1.940 1011 Y CB 0.000 38.606 38.460 0.244 0.000 1.050 1011 Y HN 0.000 nan 8.280 nan 0.000 0.758