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 1xc6_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 -0.045 0.000 1.165 41 L CA 0.000 54.805 54.840 -0.059 0.000 0.813 41 L CB 0.000 42.071 42.059 0.019 0.000 0.961 42 L N 0.741 121.943 121.223 -0.035 0.000 2.616 42 L HA 0.324 4.664 4.340 0.000 0.000 0.229 42 L C -0.396 176.458 176.870 -0.026 0.000 1.110 42 L CA 0.214 55.029 54.840 -0.041 0.000 0.884 42 L CB 0.088 42.108 42.059 -0.064 0.000 1.115 42 L HN 0.541 nan 8.230 nan 0.000 0.481 43 Q N -2.141 117.652 119.800 -0.011 0.000 2.633 43 Q HA 0.312 4.652 4.340 0.000 0.000 0.289 43 Q C -0.695 175.317 176.000 0.021 0.000 0.940 43 Q CA -0.837 54.988 55.803 0.038 0.000 0.785 43 Q CB 1.071 29.861 28.738 0.087 0.000 1.467 43 Q HN -0.155 nan 8.270 nan 0.000 0.401 44 K N -0.304 120.110 120.400 0.024 0.000 2.374 44 K HA 0.234 4.554 4.320 0.000 0.000 0.202 44 K C 0.287 176.830 176.600 -0.095 0.000 1.040 44 K CA 0.110 56.347 56.287 -0.084 0.000 1.085 44 K CB 0.339 32.741 32.500 -0.164 0.000 0.873 44 K HN 0.469 nan 8.250 nan 0.000 0.539 45 Y N 0.728 120.998 120.300 -0.050 0.000 2.263 45 Y HA -0.065 4.485 4.550 0.000 0.000 0.292 45 Y C 0.943 176.819 175.900 -0.040 0.000 1.130 45 Y CA 0.419 58.490 58.100 -0.048 0.000 1.179 45 Y CB 0.514 38.936 38.460 -0.064 0.000 0.998 45 Y HN -0.284 nan 8.280 nan 0.000 0.532 46 V N 1.460 121.458 119.914 0.140 0.000 2.349 46 V HA 0.385 4.505 4.120 0.000 0.000 0.284 46 V C -0.060 176.144 176.094 0.183 0.000 1.014 46 V CA -0.516 61.859 62.300 0.124 0.000 0.826 46 V CB 0.884 32.754 31.823 0.079 0.000 1.009 46 V HN 0.247 nan 8.190 nan 0.000 0.431 47 T N 0.757 115.430 114.554 0.197 0.000 2.773 47 T HA 0.922 5.272 4.350 0.000 0.000 0.278 47 T C -0.968 173.967 174.700 0.391 0.000 1.011 47 T CA -0.766 61.394 62.100 0.100 0.000 1.014 47 T CB 2.615 71.356 68.868 -0.212 0.000 1.293 47 T HN 0.987 nan 8.240 nan 0.000 0.554 48 W N 0.189 121.548 121.300 0.097 0.000 2.989 48 W HA 0.683 5.343 4.660 0.000 0.000 0.344 48 W C -1.982 174.634 176.519 0.162 0.000 1.233 48 W CA -0.643 56.846 57.345 0.239 0.000 1.187 48 W CB 0.305 29.853 29.460 0.148 0.000 1.443 48 W HN 0.999 nan 8.180 nan 0.000 0.573 49 D N -0.826 119.863 120.400 0.483 0.000 2.798 49 D HA 0.300 4.940 4.640 0.000 0.000 0.308 49 D C 0.576 177.086 176.300 0.349 0.000 1.187 49 D CA -0.459 53.725 54.000 0.305 0.000 1.033 49 D CB 0.493 41.452 40.800 0.264 0.000 1.445 49 D HN 0.378 nan 8.370 nan 0.000 0.550 50 E N -0.845 119.469 120.200 0.190 0.000 2.209 50 E HA -0.146 4.204 4.350 0.000 0.000 0.196 50 E C 1.489 178.073 176.600 -0.027 0.000 0.993 50 E CA 1.543 57.983 56.400 0.066 0.000 0.819 50 E CB -0.317 29.327 29.700 -0.094 0.000 0.745 50 E HN 0.419 nan 8.360 nan 0.000 0.477 51 H N -0.844 118.325 119.070 0.166 0.000 2.418 51 H HA 0.290 4.846 4.556 0.000 0.000 0.300 51 H C 0.827 176.168 175.328 0.021 0.000 1.041 51 H CA 1.334 57.422 56.048 0.068 0.000 1.364 51 H CB 0.504 30.278 29.762 0.021 0.000 1.439 51 H HN 0.232 nan 8.280 nan 0.000 0.540 52 S N -0.567 115.245 115.700 0.187 0.000 2.661 52 S HA 0.380 4.850 4.470 0.000 0.000 0.268 52 S C -0.890 173.810 174.600 0.168 0.000 1.162 52 S CA -0.957 57.285 58.200 0.069 0.000 0.817 52 S CB 1.150 64.285 63.200 -0.109 0.000 1.141 52 S HN 0.026 nan 8.310 nan 0.000 0.477 53 I N 1.034 121.671 120.570 0.111 0.000 2.612 53 I HA 0.461 4.631 4.170 0.000 0.000 0.295 53 I C -1.042 175.145 176.117 0.115 0.000 1.011 53 I CA -0.558 60.888 61.300 0.243 0.000 1.326 53 I CB 0.732 38.831 38.000 0.166 0.000 1.427 53 I HN 0.487 nan 8.210 nan 0.000 0.537 54 F N 3.928 123.940 119.950 0.102 0.000 2.482 54 F HA 0.477 5.004 4.527 0.000 0.000 0.331 54 F C -0.209 175.602 175.800 0.018 0.000 1.115 54 F CA -0.763 57.264 58.000 0.046 0.000 0.955 54 F CB 1.753 40.765 39.000 0.021 0.000 1.136 54 F HN -0.073 nan 8.300 nan 0.000 0.452 55 V N 4.086 124.089 119.914 0.148 0.000 2.378 55 V HA 0.311 4.431 4.120 0.000 0.000 0.288 55 V C -0.213 175.929 176.094 0.081 0.000 1.016 55 V CA -1.118 61.211 62.300 0.047 0.000 0.840 55 V CB 1.219 32.991 31.823 -0.085 0.000 0.994 55 V HN 0.855 nan 8.190 nan 0.000 0.431 56 N N 3.979 122.715 118.700 0.059 0.000 2.754 56 N HA -0.196 4.544 4.740 0.000 0.000 0.248 56 N C 1.125 176.655 175.510 0.033 0.000 1.093 56 N CA 1.283 54.343 53.050 0.015 0.000 0.699 56 N CB -1.042 37.480 38.487 0.058 0.000 1.016 56 N HN 1.539 nan 8.380 nan 0.000 0.552 57 G N -0.362 108.482 108.800 0.073 0.000 2.153 57 G HA2 -0.332 3.629 3.960 0.000 0.000 0.252 57 G HA3 -0.332 3.629 3.960 0.000 0.000 0.252 57 G C -0.216 174.844 174.900 0.267 0.000 0.994 57 G CA 0.860 46.029 45.100 0.115 0.000 0.698 57 G HN 0.640 nan 8.290 nan 0.000 0.521 58 E N -0.173 120.179 120.200 0.254 0.000 2.224 58 E HA 0.457 4.807 4.350 0.000 0.000 0.265 58 E C 0.588 177.187 176.600 -0.001 0.000 0.878 58 E CA -1.032 55.461 56.400 0.154 0.000 0.759 58 E CB 0.993 30.743 29.700 0.083 0.000 1.164 58 E HN 0.345 nan 8.360 nan 0.000 0.414 59 R N 2.197 122.539 120.500 -0.262 0.000 2.640 59 R HA 0.160 4.500 4.340 0.000 0.000 0.270 59 R C -0.628 175.540 176.300 -0.220 0.000 1.024 59 R CA 0.168 55.941 56.100 -0.545 0.000 1.085 59 R CB 0.308 30.275 30.300 -0.554 0.000 0.963 59 R HN 0.251 nan 8.270 nan 0.000 0.426 60 L N 3.554 124.670 121.223 -0.177 0.000 2.516 60 L HA 0.267 4.607 4.340 0.000 0.000 0.267 60 L C -0.959 175.881 176.870 -0.049 0.000 0.957 60 L CA -0.407 54.398 54.840 -0.059 0.000 0.860 60 L CB 1.948 44.016 42.059 0.014 0.000 1.265 60 L HN 0.539 nan 8.230 nan 0.000 0.403 61 M N 6.161 125.741 119.600 -0.034 0.000 2.156 61 M HA 0.314 4.794 4.480 0.000 0.000 0.345 61 M C -0.968 175.296 176.300 -0.060 0.000 1.398 61 M CA -0.228 55.045 55.300 -0.044 0.000 1.148 61 M CB 0.306 32.907 32.600 0.002 0.000 1.663 61 M HN 0.415 nan 8.290 nan 0.000 0.464 62 I N 6.763 127.265 120.570 -0.114 0.000 2.379 62 I HA 0.146 4.317 4.170 0.000 0.000 0.290 62 I C -0.634 175.234 176.117 -0.414 0.000 1.063 62 I CA -0.153 61.037 61.300 -0.184 0.000 1.351 62 I CB -0.455 37.464 38.000 -0.135 0.000 1.410 62 I HN 0.480 nan 8.210 nan 0.000 0.505 63 F N 5.660 125.322 119.950 -0.479 0.000 2.382 63 F HA 0.419 4.946 4.527 0.000 0.000 0.361 63 F C 0.370 175.667 175.800 -0.839 0.000 1.109 63 F CA -0.587 56.945 58.000 -0.781 0.000 1.031 63 F CB 1.445 39.942 39.000 -0.839 0.000 1.234 63 F HN 0.422 nan 8.300 nan 0.000 0.445 64 S N 2.896 118.363 115.700 -0.389 0.000 2.648 64 S HA 0.928 5.398 4.470 0.000 0.000 0.305 64 S C -0.403 174.316 174.600 0.197 0.000 1.094 64 S CA -0.364 57.785 58.200 -0.085 0.000 0.983 64 S CB 1.552 64.661 63.200 -0.152 0.000 1.101 64 S HN 0.891 nan 8.310 nan 0.000 0.514 65 G N 1.232 110.250 108.800 0.362 0.000 2.542 65 G HA2 0.524 4.484 3.960 0.000 0.000 0.311 65 G HA3 0.524 4.484 3.960 0.000 0.000 0.311 65 G C -1.527 173.491 174.900 0.197 0.000 1.298 65 G CA -0.560 44.741 45.100 0.335 0.000 0.973 65 G HN 0.640 nan 8.290 nan 0.000 0.487 66 E N 0.637 120.891 120.200 0.090 0.000 2.229 66 E HA 0.504 4.854 4.350 0.000 0.000 0.283 66 E C -0.607 175.911 176.600 -0.136 0.000 1.030 66 E CA -0.189 56.192 56.400 -0.032 0.000 0.836 66 E CB 1.360 30.923 29.700 -0.229 0.000 1.068 66 E HN 0.220 nan 8.360 nan 0.000 0.401 67 V N 5.194 125.107 119.914 -0.002 0.000 2.686 67 V HA 0.270 4.390 4.120 0.000 0.000 0.306 67 V C -1.036 175.132 176.094 0.123 0.000 1.065 67 V CA -0.770 61.544 62.300 0.025 0.000 0.894 67 V CB 1.914 33.828 31.823 0.152 0.000 1.004 67 V HN 0.767 nan 8.190 nan 0.000 0.424 68 H N 6.019 125.025 119.070 -0.107 0.000 2.638 68 H HA 0.257 4.813 4.556 0.000 0.000 0.303 68 H C -1.585 173.451 175.328 -0.486 0.000 1.034 68 H CA -2.056 53.767 56.048 -0.375 0.000 1.225 68 H CB 2.050 31.420 29.762 -0.654 0.000 1.394 68 H HN 0.459 nan 8.280 nan 0.000 0.477 69 P HA -0.280 nan 4.420 nan 0.000 0.217 69 P C 1.114 178.414 177.300 -0.001 0.000 1.151 69 P CA 1.538 64.346 63.100 -0.487 0.000 0.849 69 P CB -0.033 31.000 31.700 -1.111 0.000 0.787 70 Y N -0.767 119.630 120.300 0.163 0.000 2.616 70 Y HA 0.165 4.715 4.550 0.000 0.000 0.296 70 Y C 2.080 178.232 175.900 0.419 0.000 1.154 70 Y CA 0.075 58.358 58.100 0.306 0.000 1.325 70 Y CB -1.368 37.245 38.460 0.256 0.000 1.007 70 Y HN -0.199 nan 8.280 nan 0.000 0.542 71 R N 0.294 120.830 120.500 0.060 0.000 2.334 71 R HA 0.273 4.613 4.340 0.000 0.000 0.216 71 R C -0.653 175.843 176.300 0.326 0.000 0.905 71 R CA -0.025 56.207 56.100 0.220 0.000 1.064 71 R CB 0.297 30.581 30.300 -0.026 0.000 1.046 71 R HN 0.277 nan 8.270 nan 0.000 0.508 72 L N 0.933 122.354 121.223 0.330 0.000 2.457 72 L HA 0.322 4.663 4.340 0.000 0.000 0.259 72 L C -2.514 174.419 176.870 0.104 0.000 1.377 72 L CA -1.807 53.194 54.840 0.268 0.000 0.887 72 L CB 1.692 43.985 42.059 0.389 0.000 1.085 72 L HN -0.176 nan 8.230 nan 0.000 0.509 73 P HA 0.021 nan 4.420 nan 0.000 0.285 73 P C -0.515 176.577 177.300 -0.347 0.000 1.521 73 P CA 0.364 63.325 63.100 -0.232 0.000 0.792 73 P CB -0.020 31.336 31.700 -0.574 0.000 1.613 74 V N 0.419 120.107 119.914 -0.376 0.000 2.340 74 V HA 0.320 4.440 4.120 0.000 0.000 0.277 74 V C 1.677 177.401 176.094 -0.617 0.000 1.017 74 V CA -0.325 61.728 62.300 -0.413 0.000 0.820 74 V CB 0.841 32.463 31.823 -0.335 0.000 1.028 74 V HN 0.037 nan 8.190 nan 0.000 0.436 75 A N 3.832 126.344 122.820 -0.514 0.000 1.927 75 A HA -0.182 4.138 4.320 0.000 0.000 0.220 75 A C 2.255 179.629 177.584 -0.350 0.000 1.185 75 A CA 2.540 54.282 52.037 -0.493 0.000 0.639 75 A CB -0.420 18.509 19.000 -0.119 0.000 0.820 75 A HN 1.036 nan 8.150 nan 0.000 0.451 76 S N -0.714 114.844 115.700 -0.237 0.000 2.547 76 S HA 0.114 4.584 4.470 0.000 0.000 0.235 76 S C 1.350 175.858 174.600 -0.153 0.000 0.980 76 S CA 1.076 59.188 58.200 -0.145 0.000 0.941 76 S CB -0.367 62.761 63.200 -0.119 0.000 0.763 76 S HN 0.463 nan 8.310 nan 0.000 0.532 77 L N -0.857 120.215 121.223 -0.250 0.000 2.554 77 L HA 0.254 4.594 4.340 0.000 0.000 0.225 77 L C 1.657 178.471 176.870 -0.094 0.000 1.104 77 L CA 0.100 54.825 54.840 -0.192 0.000 0.866 77 L CB -0.283 41.640 42.059 -0.227 0.000 1.047 77 L HN 0.189 nan 8.230 nan 0.000 0.468 78 Y N -0.055 120.249 120.300 0.007 0.000 2.207 78 Y HA -0.276 4.274 4.550 0.000 0.000 0.287 78 Y C 2.405 178.363 175.900 0.095 0.000 1.156 78 Y CA 0.970 59.109 58.100 0.064 0.000 1.182 78 Y CB -0.506 38.099 38.460 0.241 0.000 0.979 78 Y HN 0.097 nan 8.280 nan 0.000 0.521 79 I N 0.572 121.288 120.570 0.244 0.000 2.361 79 I HA -0.260 3.910 4.170 0.000 0.000 0.251 79 I C 2.008 178.176 176.117 0.085 0.000 1.133 79 I CA 1.610 63.017 61.300 0.178 0.000 1.413 79 I CB -0.595 37.447 38.000 0.070 0.000 1.073 79 I HN 0.155 nan 8.210 nan 0.000 0.424 80 D N -0.024 120.376 120.400 -0.000 0.000 2.117 80 D HA -0.179 4.461 4.640 0.000 0.000 0.198 80 D C 2.119 178.350 176.300 -0.114 0.000 0.982 80 D CA 1.450 55.408 54.000 -0.070 0.000 0.828 80 D CB 0.025 40.757 40.800 -0.112 0.000 0.967 80 D HN 0.279 nan 8.370 nan 0.000 0.464 81 I N 0.081 120.539 120.570 -0.186 0.000 2.179 81 I HA -0.202 3.968 4.170 0.000 0.000 0.242 81 I C 2.070 178.063 176.117 -0.207 0.000 1.088 81 I CA 0.939 62.055 61.300 -0.306 0.000 1.357 81 I CB -1.349 36.368 38.000 -0.470 0.000 1.051 81 I HN 0.062 nan 8.210 nan 0.000 0.409 82 F N 1.623 121.533 119.950 -0.068 0.000 2.171 82 F HA -0.168 4.360 4.527 0.000 0.000 0.300 82 F C 2.611 178.377 175.800 -0.057 0.000 1.090 82 F CA 1.288 59.248 58.000 -0.067 0.000 1.293 82 F CB -0.667 38.270 39.000 -0.105 0.000 1.013 82 F HN 0.211 nan 8.300 nan 0.000 0.486 83 E N -0.098 120.169 120.200 0.111 0.000 2.106 83 E HA -0.189 4.161 4.350 0.000 0.000 0.192 83 E C 2.024 178.635 176.600 0.018 0.000 0.984 83 E CA 0.984 57.406 56.400 0.036 0.000 0.806 83 E CB -0.181 29.511 29.700 -0.014 0.000 0.750 83 E HN 0.407 nan 8.360 nan 0.000 0.458 84 K N 0.357 120.755 120.400 -0.004 0.000 2.217 84 K HA -0.053 4.267 4.320 0.000 0.000 0.202 84 K C 2.030 178.682 176.600 0.087 0.000 1.051 84 K CA 0.568 56.877 56.287 0.037 0.000 0.952 84 K CB 0.226 32.699 32.500 -0.045 0.000 0.736 84 K HN -0.042 nan 8.250 nan 0.000 0.453 85 V N 1.162 121.082 119.914 0.011 0.000 2.407 85 V HA -0.176 3.944 4.120 0.000 0.000 0.245 85 V C 2.157 178.227 176.094 -0.040 0.000 1.041 85 V CA 1.462 63.718 62.300 -0.073 0.000 1.040 85 V CB -0.214 31.619 31.823 0.017 0.000 0.671 85 V HN 0.185 nan 8.190 nan 0.000 0.455 86 K N 1.502 121.940 120.400 0.064 0.000 2.097 86 K HA -0.089 4.231 4.320 0.000 0.000 0.206 86 K C 1.926 178.566 176.600 0.067 0.000 1.049 86 K CA 1.700 58.034 56.287 0.077 0.000 0.933 86 K CB -0.603 31.934 32.500 0.062 0.000 0.717 86 K HN 0.393 nan 8.250 nan 0.000 0.442 87 A N 0.157 123.034 122.820 0.095 0.000 2.172 87 A HA -0.002 4.318 4.320 0.000 0.000 0.216 87 A C 1.821 179.503 177.584 0.164 0.000 1.154 87 A CA 0.935 53.101 52.037 0.216 0.000 0.701 87 A CB -0.498 18.701 19.000 0.331 0.000 0.789 87 A HN 0.333 nan 8.150 nan 0.000 0.465 88 L N -1.733 119.442 121.223 -0.081 0.000 2.554 88 L HA 0.169 4.509 4.340 0.000 0.000 0.226 88 L C 1.756 178.549 176.870 -0.128 0.000 1.137 88 L CA 0.670 55.313 54.840 -0.330 0.000 0.863 88 L CB -0.036 41.491 42.059 -0.886 0.000 0.985 88 L HN 0.559 nan 8.230 nan 0.000 0.451 89 G N -1.120 107.688 108.800 0.012 0.000 2.176 89 G HA2 -0.255 3.705 3.960 0.000 0.000 0.232 89 G HA3 -0.255 3.705 3.960 0.000 0.000 0.232 89 G C 0.163 175.185 174.900 0.204 0.000 0.986 89 G CA -0.578 44.564 45.100 0.071 0.000 0.643 89 G HN 0.049 nan 8.290 nan 0.000 0.522 90 F N 1.389 121.266 119.950 -0.123 0.000 2.440 90 F HA 0.484 5.011 4.527 0.000 0.000 0.323 90 F C 1.403 177.218 175.800 0.025 0.000 1.192 90 F CA -0.298 57.661 58.000 -0.068 0.000 1.252 90 F CB 0.925 39.872 39.000 -0.089 0.000 1.214 90 F HN 0.247 nan 8.300 nan 0.000 0.578 91 N N -0.912 117.922 118.700 0.223 0.000 2.143 91 N HA 0.188 4.928 4.740 0.000 0.000 0.229 91 N C -0.758 174.890 175.510 0.230 0.000 1.294 91 N CA -0.189 52.971 53.050 0.184 0.000 0.883 91 N CB 0.268 38.857 38.487 0.171 0.000 1.148 91 N HN 0.390 nan 8.380 nan 0.000 0.511 92 C N -0.164 119.283 119.300 0.245 0.000 3.239 92 C HA 0.816 5.276 4.460 0.000 0.000 0.317 92 C C -1.707 173.470 174.990 0.312 0.000 1.310 92 C CA -0.379 58.806 59.018 0.279 0.000 1.371 92 C CB 1.202 29.072 27.740 0.217 0.000 1.714 92 C HN 0.045 nan 8.230 nan 0.000 0.473 93 V N 2.987 123.122 119.914 0.368 0.000 2.760 93 V HA 0.680 4.800 4.120 0.000 0.000 0.309 93 V C -0.207 176.156 176.094 0.449 0.000 1.077 93 V CA -0.226 62.313 62.300 0.398 0.000 0.910 93 V CB 2.110 34.222 31.823 0.482 0.000 1.008 93 V HN 0.971 nan 8.190 nan 0.000 0.424 94 S N 4.798 120.726 115.700 0.380 0.000 2.475 94 S HA 0.883 5.353 4.470 0.000 0.000 0.298 94 S C -0.987 173.856 174.600 0.404 0.000 1.119 94 S CA -0.429 57.975 58.200 0.340 0.000 1.085 94 S CB 0.762 64.097 63.200 0.224 0.000 1.028 94 S HN 0.775 nan 8.310 nan 0.000 0.489 95 F N 2.609 122.684 119.950 0.209 0.000 2.601 95 F HA 0.727 5.254 4.527 0.000 0.000 0.309 95 F C -1.881 174.007 175.800 0.146 0.000 1.089 95 F CA -1.356 56.776 58.000 0.220 0.000 0.940 95 F CB 0.420 39.607 39.000 0.311 0.000 1.273 95 F HN 0.392 nan 8.300 nan 0.000 0.450 96 Y N 1.469 121.872 120.300 0.172 0.000 2.432 96 Y HA 0.725 5.275 4.550 0.000 0.000 0.322 96 Y C -0.281 175.772 175.900 0.255 0.000 1.246 96 Y CA -1.609 56.497 58.100 0.011 0.000 1.268 96 Y CB 1.902 40.266 38.460 -0.160 0.000 1.276 96 Y HN 0.576 nan 8.280 nan 0.000 0.499 97 V N 1.936 122.076 119.914 0.377 0.000 2.487 97 V HA 0.202 4.322 4.120 0.000 0.000 0.298 97 V C -0.918 175.251 176.094 0.125 0.000 1.028 97 V CA -1.042 61.482 62.300 0.374 0.000 0.860 97 V CB 1.728 33.805 31.823 0.422 0.000 0.991 97 V HN 0.624 nan 8.190 nan 0.000 0.427 98 D N 3.701 124.021 120.400 -0.133 0.000 2.411 98 D HA 0.074 4.714 4.640 0.000 0.000 0.225 98 D C 0.572 176.753 176.300 -0.200 0.000 1.156 98 D CA -0.426 53.316 54.000 -0.429 0.000 0.874 98 D CB 0.792 40.964 40.800 -1.046 0.000 1.034 98 D HN 0.593 nan 8.370 nan 0.000 0.502 99 W N 5.085 126.097 121.300 -0.481 0.000 2.325 99 W HA -0.213 4.447 4.660 0.000 0.000 0.299 99 W C 1.538 177.805 176.519 -0.420 0.000 1.215 99 W CA 1.765 58.708 57.345 -0.671 0.000 1.244 99 W CB -0.756 28.067 29.460 -1.061 0.000 1.140 99 W HN 0.496 nan 8.180 nan 0.000 0.523 100 A N 0.075 122.669 122.820 -0.377 0.000 2.024 100 A HA -0.157 4.163 4.320 0.000 0.000 0.220 100 A C 2.199 179.585 177.584 -0.330 0.000 1.164 100 A CA 1.813 53.582 52.037 -0.447 0.000 0.643 100 A CB -0.861 17.876 19.000 -0.439 0.000 0.806 100 A HN 0.390 nan 8.150 nan 0.000 0.451 101 L N -1.286 119.751 121.223 -0.310 0.000 2.416 101 L HA 0.102 4.442 4.340 0.000 0.000 0.216 101 L C 1.950 178.548 176.870 -0.455 0.000 1.098 101 L CA 0.256 54.864 54.840 -0.386 0.000 0.840 101 L CB -0.095 41.791 42.059 -0.288 0.000 0.981 101 L HN 0.335 nan 8.230 nan 0.000 0.462 102 L N -0.974 120.113 121.223 -0.227 0.000 2.463 102 L HA 0.089 4.429 4.340 0.000 0.000 0.219 102 L C 1.110 177.926 176.870 -0.090 0.000 1.088 102 L CA 0.469 55.166 54.840 -0.238 0.000 0.849 102 L CB 0.241 42.203 42.059 -0.161 0.000 1.012 102 L HN 0.189 nan 8.230 nan 0.000 0.468 103 E N 0.234 120.528 120.200 0.157 0.000 4.170 103 E HA 0.157 4.507 4.350 0.000 0.000 0.215 103 E C 1.160 177.990 176.600 0.383 0.000 1.119 103 E CA -0.156 56.457 56.400 0.354 0.000 1.396 103 E CB 0.706 30.855 29.700 0.749 0.000 1.182 103 E HN 0.214 nan 8.360 nan 0.000 0.438 104 G N 1.524 110.454 108.800 0.218 0.000 2.432 104 G HA2 -0.228 3.732 3.960 0.000 0.000 0.219 104 G HA3 -0.228 3.732 3.960 0.000 0.000 0.219 104 G C 0.877 176.029 174.900 0.421 0.000 1.135 104 G CA 0.260 45.494 45.100 0.224 0.000 0.767 104 G HN 0.284 nan 8.290 nan 0.000 0.550 105 N N 1.062 120.003 118.700 0.402 0.000 2.457 105 N HA 0.304 5.044 4.740 0.000 0.000 0.250 105 N C -2.684 172.837 175.510 0.018 0.000 0.982 105 N CA -2.442 50.733 53.050 0.208 0.000 0.941 105 N CB 1.723 40.332 38.487 0.204 0.000 1.120 105 N HN -0.047 nan 8.380 nan 0.000 0.505 106 P HA 0.082 nan 4.420 nan 0.000 0.261 106 P C 0.640 177.775 177.300 -0.276 0.000 1.183 106 P CA 0.724 63.350 63.100 -0.791 0.000 0.761 106 P CB 0.428 31.209 31.700 -1.532 0.000 0.785 107 G N 1.803 110.558 108.800 -0.074 0.000 2.195 107 G HA2 -0.204 3.756 3.960 0.000 0.000 0.224 107 G HA3 -0.204 3.756 3.960 0.000 0.000 0.224 107 G C 0.076 175.093 174.900 0.195 0.000 0.990 107 G CA -0.055 45.075 45.100 0.049 0.000 0.639 107 G HN 0.839 nan 8.290 nan 0.000 0.514 108 H N -0.699 118.439 119.070 0.113 0.000 2.866 108 H HA 0.470 5.026 4.556 0.000 0.000 0.287 108 H C -0.920 174.556 175.328 0.247 0.000 1.106 108 H CA -0.842 55.298 56.048 0.153 0.000 1.396 108 H CB 0.498 30.310 29.762 0.084 0.000 1.469 108 H HN 0.223 nan 8.280 nan 0.000 0.500 109 Y N 4.005 124.271 120.300 -0.056 0.000 2.377 109 Y HA 0.212 4.762 4.550 0.000 0.000 0.330 109 Y C -0.566 175.171 175.900 -0.272 0.000 1.108 109 Y CA 0.298 58.377 58.100 -0.036 0.000 1.308 109 Y CB 0.955 39.465 38.460 0.084 0.000 1.216 109 Y HN 0.446 nan 8.280 nan 0.000 0.518 110 S N 4.881 120.218 115.700 -0.604 0.000 2.736 110 S HA 0.752 5.222 4.470 0.000 0.000 0.285 110 S C -1.162 173.213 174.600 -0.375 0.000 1.163 110 S CA -0.178 57.782 58.200 -0.400 0.000 1.025 110 S CB 0.323 63.351 63.200 -0.287 0.000 1.030 110 S HN 0.995 nan 8.310 nan 0.000 0.486 111 A N 4.465 127.188 122.820 -0.161 0.000 3.317 111 A HA 0.657 4.977 4.320 0.000 0.000 0.307 111 A C -0.336 177.366 177.584 0.196 0.000 1.003 111 A CA -0.484 51.574 52.037 0.035 0.000 0.882 111 A CB 0.358 19.390 19.000 0.053 0.000 1.136 111 A HN 0.631 nan 8.150 nan 0.000 0.488 112 E N -0.377 119.969 120.200 0.243 0.000 2.355 112 E HA 0.712 5.062 4.350 0.000 0.000 0.261 112 E C 0.988 177.744 176.600 0.261 0.000 0.943 112 E CA 0.219 56.755 56.400 0.227 0.000 0.806 112 E CB 1.549 31.364 29.700 0.193 0.000 1.286 112 E HN 1.015 nan 8.360 nan 0.000 0.424 113 G N 1.333 110.242 108.800 0.181 0.000 2.591 113 G HA2 -0.366 3.594 3.960 0.000 0.000 0.298 113 G HA3 -0.366 3.594 3.960 0.000 0.000 0.298 113 G C 1.066 176.013 174.900 0.078 0.000 1.195 113 G CA 0.680 45.862 45.100 0.137 0.000 0.989 113 G HN 0.705 nan 8.290 nan 0.000 0.551 114 I N -1.960 118.593 120.570 -0.029 0.000 2.916 114 I HA 0.265 4.435 4.170 0.000 0.000 0.267 114 I C 2.048 178.010 176.117 -0.259 0.000 1.263 114 I CA 1.684 62.863 61.300 -0.202 0.000 1.471 114 I CB -0.317 37.465 38.000 -0.364 0.000 1.089 114 I HN 0.194 nan 8.210 nan 0.000 0.468 115 F N 0.954 121.022 119.950 0.196 0.000 2.727 115 F HA 0.286 4.813 4.527 0.000 0.000 0.302 115 F C 0.854 176.732 175.800 0.130 0.000 1.097 115 F CA -0.554 57.555 58.000 0.181 0.000 1.330 115 F CB -0.375 38.718 39.000 0.155 0.000 1.084 115 F HN 0.025 nan 8.300 nan 0.000 0.578 116 D N 1.129 121.664 120.400 0.226 0.000 2.383 116 D HA 0.072 4.712 4.640 0.000 0.000 0.252 116 D C 1.106 177.454 176.300 0.080 0.000 1.166 116 D CA 0.348 54.444 54.000 0.161 0.000 0.879 116 D CB 1.081 41.965 40.800 0.140 0.000 1.164 116 D HN 0.190 nan 8.370 nan 0.000 0.462 117 L N 3.082 124.290 121.223 -0.024 0.000 2.418 117 L HA -0.100 4.240 4.340 0.000 0.000 0.218 117 L C 2.168 178.708 176.870 -0.549 0.000 1.125 117 L CA 0.212 54.845 54.840 -0.345 0.000 0.835 117 L CB -0.120 41.643 42.059 -0.494 0.000 0.953 117 L HN 0.419 nan 8.230 nan 0.000 0.454 118 Q N 1.149 120.835 119.800 -0.190 0.000 2.077 118 Q HA -0.186 4.154 4.340 0.000 0.000 0.206 118 Q C -0.655 175.375 176.000 0.049 0.000 0.989 118 Q CA 2.198 58.000 55.803 -0.003 0.000 0.853 118 Q CB -1.198 27.611 28.738 0.119 0.000 0.907 118 Q HN 0.226 nan 8.270 nan 0.000 0.418 119 P HA -0.093 nan 4.420 nan 0.000 0.220 119 P C 0.675 178.124 177.300 0.249 0.000 1.148 119 P CA 0.863 64.076 63.100 0.189 0.000 0.803 119 P CB -0.167 31.680 31.700 0.245 0.000 0.782 120 F N -0.852 119.041 119.950 -0.094 0.000 2.163 120 F HA -0.095 4.433 4.527 0.000 0.000 0.297 120 F C 1.826 177.586 175.800 -0.067 0.000 1.094 120 F CA 1.296 59.125 58.000 -0.285 0.000 1.290 120 F CB -0.581 38.003 39.000 -0.693 0.000 1.017 120 F HN -0.227 nan 8.300 nan 0.000 0.483 121 F N 0.880 120.827 119.950 -0.004 0.000 2.186 121 F HA -0.146 4.381 4.527 0.000 0.000 0.299 121 F C 2.349 178.052 175.800 -0.162 0.000 1.090 121 F CA 1.073 59.010 58.000 -0.106 0.000 1.307 121 F CB -1.419 37.593 39.000 0.021 0.000 1.019 121 F HN -0.013 nan 8.300 nan 0.000 0.489 122 D N 0.171 120.633 120.400 0.104 0.000 2.117 122 D HA -0.126 4.515 4.640 0.000 0.000 0.197 122 D C 2.397 178.634 176.300 -0.105 0.000 0.987 122 D CA 1.502 55.510 54.000 0.014 0.000 0.829 122 D CB -0.620 40.209 40.800 0.049 0.000 0.961 122 D HN 0.204 nan 8.370 nan 0.000 0.460 123 A N 1.039 123.787 122.820 -0.121 0.000 1.933 123 A HA -0.052 4.268 4.320 0.000 0.000 0.218 123 A C 2.309 179.505 177.584 -0.647 0.000 1.175 123 A CA 2.171 54.095 52.037 -0.187 0.000 0.628 123 A CB -0.653 18.421 19.000 0.124 0.000 0.814 123 A HN 0.237 nan 8.150 nan 0.000 0.444 124 A N -0.046 122.130 122.820 -1.073 0.000 1.877 124 A HA -0.164 4.156 4.320 0.000 0.000 0.216 124 A C 2.124 179.357 177.584 -0.584 0.000 1.186 124 A CA 1.788 53.025 52.037 -1.332 0.000 0.620 124 A CB -0.424 17.988 19.000 -0.979 0.000 0.822 124 A HN 0.545 nan 8.150 nan 0.000 0.443 125 K N -0.761 119.432 120.400 -0.346 0.000 2.057 125 K HA -0.175 4.145 4.320 0.000 0.000 0.207 125 K C 2.113 178.492 176.600 -0.369 0.000 1.049 125 K CA 1.494 57.614 56.287 -0.278 0.000 0.931 125 K CB -0.129 32.296 32.500 -0.126 0.000 0.714 125 K HN 0.473 nan 8.250 nan 0.000 0.440 126 E N 1.185 121.216 120.200 -0.282 0.000 2.085 126 E HA -0.146 4.204 4.350 0.000 0.000 0.194 126 E C 1.572 178.026 176.600 -0.243 0.000 0.994 126 E CA 1.566 57.828 56.400 -0.230 0.000 0.801 126 E CB -0.104 29.502 29.700 -0.156 0.000 0.743 126 E HN 0.301 nan 8.360 nan 0.000 0.453 127 A N -0.708 121.950 122.820 -0.270 0.000 2.169 127 A HA 0.350 4.670 4.320 0.000 0.000 0.212 127 A C 1.573 179.016 177.584 -0.235 0.000 1.153 127 A CA 0.819 52.739 52.037 -0.196 0.000 0.756 127 A CB -0.538 18.399 19.000 -0.105 0.000 0.813 127 A HN 0.505 nan 8.150 nan 0.000 0.471 128 G N -0.528 108.033 108.800 -0.398 0.000 2.248 128 G HA2 -0.154 3.806 3.960 0.000 0.000 0.263 128 G HA3 -0.154 3.806 3.960 0.000 0.000 0.263 128 G C -0.276 174.488 174.900 -0.226 0.000 1.082 128 G CA 0.220 45.014 45.100 -0.510 0.000 0.863 128 G HN 0.312 nan 8.290 nan 0.000 0.495 129 I N 0.240 120.720 120.570 -0.150 0.000 2.436 129 I HA 0.439 4.609 4.170 0.000 0.000 0.289 129 I C 0.398 176.573 176.117 0.096 0.000 1.010 129 I CA -1.629 59.675 61.300 0.006 0.000 1.098 129 I CB 1.160 39.194 38.000 0.057 0.000 1.266 129 I HN 0.048 nan 8.210 nan 0.000 0.434 130 Y N 5.779 126.202 120.300 0.204 0.000 2.281 130 Y HA 0.474 5.024 4.550 0.000 0.000 0.337 130 Y C 0.410 176.404 175.900 0.157 0.000 1.304 130 Y CA -0.298 57.849 58.100 0.078 0.000 1.465 130 Y CB 0.699 39.152 38.460 -0.011 0.000 1.350 130 Y HN 0.301 nan 8.280 nan 0.000 0.575 131 L N 2.136 123.574 121.223 0.357 0.000 2.401 131 L HA 0.433 4.773 4.340 0.000 0.000 0.266 131 L C -1.489 175.593 176.870 0.353 0.000 0.991 131 L CA -1.162 53.923 54.840 0.408 0.000 0.818 131 L CB 2.119 44.470 42.059 0.487 0.000 1.321 131 L HN 0.351 nan 8.230 nan 0.000 0.413 132 L N 2.783 124.224 121.223 0.364 0.000 2.298 132 L HA 0.773 5.113 4.340 0.000 0.000 0.284 132 L C -0.181 176.691 176.870 0.004 0.000 1.013 132 L CA -0.272 54.682 54.840 0.190 0.000 0.824 132 L CB 1.202 43.391 42.059 0.217 0.000 1.221 132 L HN 0.629 nan 8.230 nan 0.000 0.418 133 A N 5.968 128.696 122.820 -0.153 0.000 2.289 133 A HA 0.735 5.055 4.320 0.000 0.000 0.298 133 A C -0.047 177.157 177.584 -0.632 0.000 1.208 133 A CA -0.569 51.085 52.037 -0.639 0.000 0.845 133 A CB 0.224 19.064 19.000 -0.267 0.000 1.125 133 A HN 0.765 nan 8.150 nan 0.000 0.517 134 R N 4.045 124.153 120.500 -0.654 0.000 2.564 134 R HA 0.228 4.568 4.340 0.000 0.000 0.282 134 R C -2.463 173.768 176.300 -0.115 0.000 1.573 134 R CA -1.387 54.533 56.100 -0.300 0.000 1.588 134 R CB 1.508 31.736 30.300 -0.120 0.000 1.154 134 R HN 0.566 nan 8.270 nan 0.000 0.606 135 P HA -0.013 nan 4.420 nan 0.000 0.245 135 P C 0.837 178.231 177.300 0.156 0.000 1.212 135 P CA 1.048 64.168 63.100 0.033 0.000 0.774 135 P CB 0.701 32.383 31.700 -0.031 0.000 0.999 136 G N 0.880 109.730 108.800 0.084 0.000 2.596 136 G HA2 -0.247 3.714 3.960 0.000 0.000 0.258 136 G HA3 -0.247 3.714 3.960 0.000 0.000 0.258 136 G C -1.742 173.254 174.900 0.160 0.000 1.207 136 G CA 0.239 45.401 45.100 0.103 0.000 0.954 136 G HN 0.068 nan 8.290 nan 0.000 0.551 137 P HA 0.000 nan 4.420 nan 0.000 0.216 137 P C 0.646 178.084 177.300 0.230 0.000 1.150 137 P CA 1.512 64.791 63.100 0.299 0.000 0.843 137 P CB -0.032 31.825 31.700 0.261 0.000 0.787 138 Y N 0.762 121.095 120.300 0.054 0.000 2.316 138 Y HA 0.255 4.805 4.550 0.000 0.000 0.331 138 Y C 1.340 177.082 175.900 -0.264 0.000 1.083 138 Y CA -0.520 57.399 58.100 -0.302 0.000 1.206 138 Y CB 0.248 38.544 38.460 -0.273 0.000 1.195 138 Y HN -0.132 nan 8.280 nan 0.000 0.497 139 I N 0.998 120.906 120.570 -1.103 0.000 4.403 139 I HA 0.257 4.427 4.170 0.000 0.000 0.331 139 I C 0.999 176.423 176.117 -1.155 0.000 1.327 139 I CA 0.149 60.795 61.300 -1.090 0.000 1.175 139 I CB 0.193 37.410 38.000 -1.305 0.000 1.165 139 I HN 0.714 nan 8.210 nan 0.000 0.413 140 N N 2.862 120.703 118.700 -1.432 0.000 3.084 140 N HA -0.432 4.308 4.740 0.000 0.000 0.197 140 N C 1.142 176.288 175.510 -0.606 0.000 0.452 140 N CA 3.499 56.073 53.050 -0.794 0.000 1.891 140 N CB -1.425 36.910 38.487 -0.254 0.000 1.456 140 N HN 1.025 nan 8.380 nan 0.000 0.380 141 A N -0.239 122.355 122.820 -0.377 0.000 2.869 141 A HA -0.262 4.058 4.320 0.000 0.000 0.272 141 A C 0.601 178.040 177.584 -0.241 0.000 1.332 141 A CA 2.973 54.944 52.037 -0.110 0.000 0.939 141 A CB -2.243 16.633 19.000 -0.206 0.000 1.018 141 A HN 1.222 nan 8.150 nan 0.000 0.696 142 E N -3.780 116.093 120.200 -0.544 0.000 2.791 142 E HA -0.193 4.157 4.350 0.000 0.000 0.271 142 E C 0.168 176.283 176.600 -0.808 0.000 1.044 142 E CA 1.339 57.128 56.400 -1.017 0.000 0.814 142 E CB -2.553 26.850 29.700 -0.495 0.000 1.400 142 E HN 2.125 nan 8.360 nan 0.000 0.423 143 V N -3.594 115.974 119.914 -0.578 0.000 2.975 143 V HA 0.688 4.808 4.120 0.000 0.000 0.318 143 V C 0.741 176.660 176.094 -0.291 0.000 1.077 143 V CA -0.515 61.554 62.300 -0.386 0.000 1.000 143 V CB 2.202 33.783 31.823 -0.402 0.000 1.066 143 V HN 0.126 nan 8.190 nan 0.000 0.452 144 S N 1.743 117.324 115.700 -0.199 0.000 2.563 144 S HA 0.381 4.851 4.470 0.000 0.000 0.294 144 S C 1.516 176.000 174.600 -0.193 0.000 1.279 144 S CA 0.980 59.100 58.200 -0.132 0.000 1.069 144 S CB -0.489 62.632 63.200 -0.131 0.000 0.828 144 S HN 2.778 nan 8.310 nan 0.000 0.497 145 G N 3.389 112.119 108.800 -0.117 0.000 2.196 145 G HA2 -0.202 3.758 3.960 0.000 0.000 0.268 145 G HA3 -0.202 3.758 3.960 0.000 0.000 0.268 145 G C 1.245 176.060 174.900 -0.142 0.000 0.975 145 G CA 0.683 45.727 45.100 -0.092 0.000 0.648 145 G HN 2.262 nan 8.290 nan 0.000 0.538 146 G N -1.249 107.384 108.800 -0.279 0.000 2.179 146 G HA2 0.256 4.216 3.960 0.000 0.000 0.257 146 G HA3 0.256 4.216 3.960 0.000 0.000 0.257 146 G C 1.695 176.090 174.900 -0.842 0.000 1.010 146 G CA 0.964 45.733 45.100 -0.551 0.000 0.736 146 G HN 2.638 nan 8.290 nan 0.000 0.513 147 G N -2.030 106.418 108.800 -0.586 0.000 2.278 147 G HA2 -0.091 3.869 3.960 0.000 0.000 0.210 147 G HA3 -0.091 3.869 3.960 0.000 0.000 0.210 147 G C 0.302 174.951 174.900 -0.418 0.000 1.000 147 G CA 0.183 44.959 45.100 -0.540 0.000 0.635 147 G HN 1.040 nan 8.290 nan 0.000 0.495 148 F N 3.164 122.891 119.950 -0.371 0.000 2.504 148 F HA 0.476 5.003 4.527 0.000 0.000 0.369 148 F C -1.536 173.737 175.800 -0.878 0.000 1.082 148 F CA -2.463 55.136 58.000 -0.668 0.000 1.216 148 F CB 0.432 39.182 39.000 -0.417 0.000 1.108 148 F HN -0.103 nan 8.300 nan 0.000 0.554 149 P HA 0.087 nan 4.420 nan 0.000 0.269 149 P C 0.950 177.630 177.300 -1.033 0.000 1.215 149 P CA 0.193 62.632 63.100 -1.103 0.000 0.780 149 P CB 0.765 31.543 31.700 -1.537 0.000 0.898 150 G N 1.953 110.233 108.800 -0.868 0.000 2.462 150 G HA2 -0.218 3.742 3.960 0.000 0.000 0.220 150 G HA3 -0.218 3.742 3.960 0.000 0.000 0.220 150 G C 1.013 175.345 174.900 -0.947 0.000 1.121 150 G CA 0.131 44.647 45.100 -0.972 0.000 0.758 150 G HN 0.722 nan 8.290 nan 0.000 0.559 151 W N -0.015 120.804 121.300 -0.803 0.000 2.721 151 W HA 0.172 4.832 4.660 0.000 0.000 0.245 151 W C 0.996 177.386 176.519 -0.214 0.000 1.276 151 W CA -0.241 56.919 57.345 -0.308 0.000 1.342 151 W CB -0.761 28.628 29.460 -0.119 0.000 1.135 151 W HN 0.023 nan 8.180 nan 0.000 0.654 152 L N 1.534 122.438 121.223 -0.530 0.000 2.456 152 L HA -0.118 4.222 4.340 0.000 0.000 0.224 152 L C 2.480 179.234 176.870 -0.194 0.000 1.148 152 L CA 1.463 56.049 54.840 -0.424 0.000 0.825 152 L CB -1.013 40.608 42.059 -0.730 0.000 0.937 152 L HN 0.202 nan 8.230 nan 0.000 0.450 153 Q N -0.554 119.163 119.800 -0.138 0.000 2.436 153 Q HA -0.110 4.230 4.340 0.000 0.000 0.209 153 Q C 1.522 177.551 176.000 0.047 0.000 0.965 153 Q CA 0.648 56.426 55.803 -0.041 0.000 0.910 153 Q CB 0.126 28.857 28.738 -0.012 0.000 0.980 153 Q HN 0.509 nan 8.270 nan 0.000 0.491 154 R N -0.023 120.530 120.500 0.088 0.000 2.362 154 R HA 0.156 4.496 4.340 0.000 0.000 0.227 154 R C -0.024 176.343 176.300 0.112 0.000 0.905 154 R CA -0.058 56.117 56.100 0.126 0.000 1.067 154 R CB 0.777 31.176 30.300 0.164 0.000 1.078 154 R HN -0.050 nan 8.270 nan 0.000 0.516 155 V N 2.432 122.397 119.914 0.086 0.000 2.455 155 V HA -0.023 4.097 4.120 0.000 0.000 0.273 155 V C 0.205 176.328 176.094 0.050 0.000 1.045 155 V CA -0.222 62.128 62.300 0.083 0.000 0.976 155 V CB 1.196 33.068 31.823 0.082 0.000 0.993 155 V HN 0.048 nan 8.190 nan 0.000 0.475 156 D N 4.396 124.828 120.400 0.053 0.000 2.688 156 D HA 0.444 5.084 4.640 0.000 0.000 0.228 156 D C 0.312 176.625 176.300 0.022 0.000 1.116 156 D CA 0.555 54.576 54.000 0.035 0.000 1.023 156 D CB -0.310 40.511 40.800 0.034 0.000 1.100 156 D HN 0.777 nan 8.370 nan 0.000 0.487 157 G N 1.143 109.945 108.800 0.003 0.000 2.616 157 G HA2 0.297 4.257 3.960 0.000 0.000 0.294 157 G HA3 0.297 4.257 3.960 0.000 0.000 0.294 157 G C -0.786 174.057 174.900 -0.095 0.000 1.489 157 G CA -0.894 44.195 45.100 -0.018 0.000 0.836 157 G HN 0.234 nan 8.290 nan 0.000 0.527 158 I N 1.567 122.036 120.570 -0.168 0.000 2.556 158 I HA 0.119 4.289 4.170 0.000 0.000 0.284 158 I C 0.642 176.458 176.117 -0.503 0.000 1.114 158 I CA -0.236 60.882 61.300 -0.304 0.000 1.418 158 I CB 0.710 38.496 38.000 -0.357 0.000 1.394 158 I HN 0.205 nan 8.210 nan 0.000 0.552 159 L N 7.389 128.268 121.223 -0.573 0.000 2.456 159 L HA 0.190 4.530 4.340 0.000 0.000 0.272 159 L C 0.916 177.180 176.870 -1.011 0.000 1.189 159 L CA -0.255 54.016 54.840 -0.949 0.000 0.846 159 L CB -0.048 41.633 42.059 -0.631 0.000 1.111 159 L HN 0.664 nan 8.230 nan 0.000 0.475 160 R N -0.542 119.079 120.500 -1.465 0.000 3.532 160 R HA -0.153 4.187 4.340 0.000 0.000 0.284 160 R C -0.138 175.545 176.300 -1.029 0.000 1.140 160 R CA 0.800 56.449 56.100 -0.752 0.000 0.768 160 R CB -2.259 27.821 30.300 -0.367 0.000 1.252 160 R HN 0.927 nan 8.270 nan 0.000 0.454 161 T N -5.960 108.008 114.554 -0.977 0.000 2.804 161 T HA 0.436 4.786 4.350 0.000 0.000 0.290 161 T C 0.712 175.226 174.700 -0.309 0.000 1.099 161 T CA -0.507 61.115 62.100 -0.796 0.000 1.011 161 T CB 2.023 70.459 68.868 -0.720 0.000 1.291 161 T HN -0.087 nan 8.240 nan 0.000 0.523 162 S N 0.384 116.018 115.700 -0.110 0.000 2.603 162 S HA 0.129 4.600 4.470 0.000 0.000 0.220 162 S C 0.061 174.663 174.600 0.004 0.000 0.967 162 S CA -0.152 58.065 58.200 0.029 0.000 0.920 162 S CB -0.620 62.619 63.200 0.065 0.000 0.773 162 S HN 0.635 nan 8.310 nan 0.000 0.529 163 D N 2.162 122.556 120.400 -0.010 0.000 2.531 163 D HA -0.004 4.636 4.640 0.000 0.000 0.239 163 D C 1.148 177.467 176.300 0.030 0.000 1.144 163 D CA 0.189 54.194 54.000 0.008 0.000 0.869 163 D CB 0.592 41.382 40.800 -0.017 0.000 1.160 163 D HN 0.137 nan 8.370 nan 0.000 0.484 164 E N 2.995 123.204 120.200 0.014 0.000 2.070 164 E HA -0.250 4.100 4.350 0.000 0.000 0.197 164 E C 1.748 178.359 176.600 0.019 0.000 1.004 164 E CA 1.924 58.328 56.400 0.006 0.000 0.805 164 E CB -0.095 29.614 29.700 0.016 0.000 0.744 164 E HN 0.530 nan 8.360 nan 0.000 0.451 165 A N -0.633 122.212 122.820 0.041 0.000 1.933 165 A HA -0.182 4.139 4.320 0.000 0.000 0.218 165 A C 2.212 179.838 177.584 0.070 0.000 1.175 165 A CA 1.620 53.691 52.037 0.056 0.000 0.628 165 A CB -0.945 18.091 19.000 0.059 0.000 0.814 165 A HN 0.544 nan 8.150 nan 0.000 0.444 166 Y N 0.486 120.769 120.300 -0.029 0.000 2.133 166 Y HA -0.109 4.441 4.550 0.000 0.000 0.287 166 Y C 1.951 177.858 175.900 0.010 0.000 1.134 166 Y CA 1.665 59.744 58.100 -0.035 0.000 1.133 166 Y CB -0.409 37.989 38.460 -0.103 0.000 0.987 166 Y HN 0.197 nan 8.280 nan 0.000 0.502 167 L N 0.264 121.377 121.223 -0.182 0.000 2.012 167 L HA -0.291 4.049 4.340 0.000 0.000 0.210 167 L C 2.452 179.213 176.870 -0.183 0.000 1.073 167 L CA 1.999 56.653 54.840 -0.310 0.000 0.748 167 L CB -0.612 41.195 42.059 -0.420 0.000 0.891 167 L HN 0.187 nan 8.230 nan 0.000 0.431 168 K N -0.079 120.282 120.400 -0.065 0.000 2.097 168 K HA -0.143 4.177 4.320 0.000 0.000 0.206 168 K C 2.169 178.806 176.600 0.062 0.000 1.049 168 K CA 1.305 57.609 56.287 0.028 0.000 0.933 168 K CB -0.252 32.278 32.500 0.051 0.000 0.717 168 K HN 0.300 nan 8.250 nan 0.000 0.442 169 A N 1.140 123.995 122.820 0.058 0.000 2.019 169 A HA -0.140 4.180 4.320 0.000 0.000 0.219 169 A C 2.149 179.919 177.584 0.309 0.000 1.164 169 A CA 2.025 54.213 52.037 0.252 0.000 0.644 169 A CB -0.744 18.417 19.000 0.269 0.000 0.805 169 A HN 0.482 nan 8.150 nan 0.000 0.449 170 T N -3.674 110.873 114.554 -0.011 0.000 3.065 170 T HA -0.006 4.344 4.350 0.000 0.000 0.252 170 T C 1.103 175.744 174.700 -0.098 0.000 1.099 170 T CA 0.847 62.841 62.100 -0.176 0.000 1.063 170 T CB -0.188 68.483 68.868 -0.329 0.000 0.948 170 T HN 0.286 nan 8.240 nan 0.000 0.506 171 D N 2.069 122.476 120.400 0.013 0.000 2.116 171 D HA -0.134 4.506 4.640 0.000 0.000 0.193 171 D C 2.037 178.360 176.300 0.039 0.000 0.998 171 D CA 1.263 55.295 54.000 0.054 0.000 0.836 171 D CB -0.478 40.392 40.800 0.117 0.000 0.951 171 D HN 0.425 nan 8.370 nan 0.000 0.449 172 N N -0.275 118.479 118.700 0.090 0.000 2.084 172 N HA -0.216 4.524 4.740 0.000 0.000 0.190 172 N C 1.819 177.350 175.510 0.034 0.000 1.030 172 N CA 1.078 54.183 53.050 0.092 0.000 0.849 172 N CB -0.444 38.157 38.487 0.190 0.000 1.012 172 N HN 0.203 nan 8.380 nan 0.000 0.423 173 Y N 0.748 120.998 120.300 -0.084 0.000 2.145 173 Y HA -0.051 4.499 4.550 0.000 0.000 0.286 173 Y C 2.232 177.981 175.900 -0.252 0.000 1.145 173 Y CA 1.979 59.956 58.100 -0.205 0.000 1.148 173 Y CB -0.941 37.040 38.460 -0.798 0.000 0.981 173 Y HN 0.148 nan 8.280 nan 0.000 0.507 174 A N -0.395 122.192 122.820 -0.389 0.000 1.908 174 A HA -0.219 4.101 4.320 0.000 0.000 0.218 174 A C 2.420 179.839 177.584 -0.274 0.000 1.181 174 A CA 2.287 54.111 52.037 -0.355 0.000 0.627 174 A CB -1.257 17.657 19.000 -0.145 0.000 0.818 174 A HN 0.541 nan 8.150 nan 0.000 0.445 175 S N 0.252 115.834 115.700 -0.196 0.000 2.356 175 S HA -0.145 4.325 4.470 0.000 0.000 0.223 175 S C 1.956 176.406 174.600 -0.249 0.000 1.032 175 S CA 1.209 59.312 58.200 -0.162 0.000 1.005 175 S CB -0.466 62.673 63.200 -0.102 0.000 0.867 175 S HN 0.666 nan 8.310 nan 0.000 0.449 176 N N 1.032 119.482 118.700 -0.415 0.000 2.106 176 N HA -0.039 4.701 4.740 0.000 0.000 0.188 176 N C 1.771 176.960 175.510 -0.535 0.000 1.029 176 N CA 1.080 53.747 53.050 -0.639 0.000 0.848 176 N CB -0.327 37.323 38.487 -1.396 0.000 1.007 176 N HN 0.256 nan 8.380 nan 0.000 0.423 177 I N 1.618 121.858 120.570 -0.550 0.000 2.315 177 I HA -0.107 4.063 4.170 0.000 0.000 0.248 177 I C 2.137 178.225 176.117 -0.047 0.000 1.117 177 I CA 0.693 61.857 61.300 -0.227 0.000 1.404 177 I CB -0.494 37.270 38.000 -0.394 0.000 1.071 177 I HN 0.036 nan 8.210 nan 0.000 0.419 178 A N 0.368 123.138 122.820 -0.083 0.000 1.933 178 A HA -0.072 4.248 4.320 0.000 0.000 0.218 178 A C 2.495 180.095 177.584 0.028 0.000 1.175 178 A CA 1.704 53.773 52.037 0.053 0.000 0.628 178 A CB -1.227 17.772 19.000 -0.002 0.000 0.814 178 A HN 0.500 nan 8.150 nan 0.000 0.444 179 A N -1.044 121.754 122.820 -0.036 0.000 1.933 179 A HA -0.073 4.247 4.320 0.000 0.000 0.218 179 A C 2.298 179.908 177.584 0.042 0.000 1.175 179 A CA 2.257 54.282 52.037 -0.020 0.000 0.628 179 A CB -1.178 17.789 19.000 -0.055 0.000 0.814 179 A HN 0.420 nan 8.150 nan 0.000 0.444 180 T N 0.266 114.870 114.554 0.084 0.000 2.737 180 T HA -0.066 4.284 4.350 0.000 0.000 0.265 180 T C 1.795 176.647 174.700 0.252 0.000 1.038 180 T CA 1.507 63.728 62.100 0.202 0.000 1.144 180 T CB -0.373 68.664 68.868 0.282 0.000 0.866 180 T HN 0.424 nan 8.240 nan 0.000 0.434 181 I N 1.331 122.051 120.570 0.250 0.000 2.252 181 I HA -0.153 4.017 4.170 0.000 0.000 0.245 181 I C 2.916 179.078 176.117 0.075 0.000 1.102 181 I CA 0.935 62.365 61.300 0.217 0.000 1.385 181 I CB -0.491 37.707 38.000 0.331 0.000 1.064 181 I HN 0.181 nan 8.210 nan 0.000 0.414 182 A N 0.800 123.659 122.820 0.065 0.000 1.917 182 A HA -0.299 4.021 4.320 0.000 0.000 0.219 182 A C 2.380 179.946 177.584 -0.030 0.000 1.182 182 A CA 2.102 54.136 52.037 -0.005 0.000 0.633 182 A CB -0.588 18.397 19.000 -0.024 0.000 0.819 182 A HN 0.389 nan 8.150 nan 0.000 0.448 183 K N -0.529 119.870 120.400 -0.002 0.000 2.211 183 K HA 0.040 4.360 4.320 0.000 0.000 0.203 183 K C 1.530 178.099 176.600 -0.053 0.000 1.050 183 K CA 0.987 57.270 56.287 -0.007 0.000 0.945 183 K CB -0.210 32.318 32.500 0.047 0.000 0.732 183 K HN 0.390 nan 8.250 nan 0.000 0.451 184 A N 0.813 123.556 122.820 -0.130 0.000 2.307 184 A HA 0.097 4.418 4.320 0.000 0.000 0.218 184 A C 0.077 177.527 177.584 -0.223 0.000 1.228 184 A CA -0.228 51.644 52.037 -0.276 0.000 0.857 184 A CB -0.021 18.485 19.000 -0.823 0.000 0.897 184 A HN 0.348 nan 8.150 nan 0.000 0.495 185 Q N -0.825 118.884 119.800 -0.152 0.000 2.454 185 Q HA 0.219 4.559 4.340 0.000 0.000 0.247 185 Q C 1.019 176.908 176.000 -0.185 0.000 1.028 185 Q CA -0.101 55.615 55.803 -0.144 0.000 0.910 185 Q CB 0.902 29.560 28.738 -0.134 0.000 1.276 185 Q HN 0.538 nan 8.270 nan 0.000 0.489 186 I N 1.100 121.538 120.570 -0.220 0.000 2.454 186 I HA -0.266 3.904 4.170 0.000 0.000 0.254 186 I C 1.854 177.623 176.117 -0.580 0.000 1.156 186 I CA 1.692 62.811 61.300 -0.301 0.000 1.433 186 I CB -0.005 37.823 38.000 -0.287 0.000 1.082 186 I HN 0.843 nan 8.210 nan 0.000 0.432 187 T N -2.639 111.553 114.554 -0.602 0.000 3.051 187 T HA -0.152 4.198 4.350 0.000 0.000 0.269 187 T C 1.387 175.858 174.700 -0.383 0.000 1.127 187 T CA 1.213 62.874 62.100 -0.731 0.000 1.107 187 T CB -0.618 68.033 68.868 -0.361 0.000 0.898 187 T HN 0.516 nan 8.240 nan 0.000 0.517 188 N N 0.116 118.662 118.700 -0.258 0.000 2.204 188 N HA 0.268 5.008 4.740 0.000 0.000 0.219 188 N C 1.027 176.477 175.510 -0.100 0.000 1.151 188 N CA 0.407 53.375 53.050 -0.137 0.000 0.867 188 N CB 0.154 38.583 38.487 -0.096 0.000 1.043 188 N HN 0.542 nan 8.380 nan 0.000 0.516 189 G N 0.049 108.772 108.800 -0.129 0.000 2.141 189 G HA2 -0.192 3.768 3.960 0.000 0.000 0.242 189 G HA3 -0.192 3.768 3.960 0.000 0.000 0.242 189 G C 0.247 175.143 174.900 -0.006 0.000 0.982 189 G CA -0.014 45.061 45.100 -0.041 0.000 0.662 189 G HN 0.510 nan 8.290 nan 0.000 0.527 190 G N -0.540 108.229 108.800 -0.052 0.000 2.613 190 G HA2 0.778 4.739 3.960 0.000 0.000 0.303 190 G HA3 0.778 4.739 3.960 0.000 0.000 0.303 190 G C -0.792 174.113 174.900 0.009 0.000 1.312 190 G CA -0.325 44.757 45.100 -0.031 0.000 1.036 190 G HN 0.084 nan 8.290 nan 0.000 0.513 191 P HA 0.136 nan 4.420 nan 0.000 0.239 191 P C 0.552 177.904 177.300 0.087 0.000 1.188 191 P CA 0.161 63.328 63.100 0.111 0.000 0.794 191 P CB 0.491 32.270 31.700 0.133 0.000 0.937 192 I N 2.217 122.779 120.570 -0.014 0.000 2.517 192 I HA 0.041 4.211 4.170 0.000 0.000 0.285 192 I C 1.905 178.005 176.117 -0.027 0.000 1.106 192 I CA 0.058 61.374 61.300 0.028 0.000 1.402 192 I CB 0.574 38.576 38.000 0.003 0.000 1.399 192 I HN -0.087 nan 8.210 nan 0.000 0.535 193 I N 4.136 124.698 120.570 -0.014 0.000 4.323 193 I HA 0.365 4.535 4.170 0.000 0.000 0.328 193 I C 0.043 176.138 176.117 -0.035 0.000 1.310 193 I CA 0.080 61.326 61.300 -0.091 0.000 1.186 193 I CB 0.450 38.315 38.000 -0.225 0.000 1.130 193 I HN 0.314 nan 8.210 nan 0.000 0.411 194 L N 0.224 121.460 121.223 0.022 0.000 2.415 194 L HA 0.552 4.892 4.340 0.000 0.000 0.256 194 L C -1.719 175.212 176.870 0.102 0.000 1.010 194 L CA -0.944 53.906 54.840 0.016 0.000 0.826 194 L CB 2.738 44.765 42.059 -0.052 0.000 1.405 194 L HN -0.037 nan 8.230 nan 0.000 0.410 195 Y N 1.436 121.722 120.300 -0.023 0.000 2.421 195 Y HA 0.356 4.906 4.550 0.000 0.000 0.339 195 Y C -0.832 175.150 175.900 0.137 0.000 0.996 195 Y CA -0.492 57.649 58.100 0.067 0.000 1.046 195 Y CB 2.018 40.549 38.460 0.117 0.000 1.226 195 Y HN 0.513 nan 8.280 nan 0.000 0.445 196 Q N 8.502 128.287 119.800 -0.026 0.000 2.347 196 Q HA 0.488 4.829 4.340 0.000 0.000 0.262 196 Q C -2.878 173.140 176.000 0.030 0.000 0.980 196 Q CA -2.314 53.507 55.803 0.029 0.000 0.867 196 Q CB 1.851 30.561 28.738 -0.047 0.000 1.242 196 Q HN 0.369 nan 8.270 nan 0.000 0.453 197 P HA 0.169 nan 4.420 nan 0.000 0.290 197 P C -0.357 176.933 177.300 -0.017 0.000 1.276 197 P CA 0.088 63.179 63.100 -0.016 0.000 0.808 197 P CB 1.461 33.000 31.700 -0.269 0.000 0.966 198 E N 1.450 121.661 120.200 0.019 0.000 4.986 198 E HA -0.262 4.088 4.350 0.000 0.000 0.189 198 E C -0.523 176.166 176.600 0.149 0.000 1.463 198 E CA 0.809 57.268 56.400 0.099 0.000 2.419 198 E CB -1.121 28.619 29.700 0.065 0.000 2.049 198 E HN 0.786 nan 8.360 nan 0.000 0.476 199 N N 0.541 119.373 118.700 0.220 0.000 2.648 199 N HA 0.169 4.909 4.740 0.000 0.000 0.272 199 N C -1.655 173.999 175.510 0.239 0.000 1.118 199 N CA 0.482 53.666 53.050 0.223 0.000 0.973 199 N CB 0.775 39.373 38.487 0.185 0.000 1.565 199 N HN 0.535 nan 8.380 nan 0.000 0.542 200 E N 1.648 121.963 120.200 0.192 0.000 2.228 200 E HA -0.297 4.053 4.350 0.000 0.000 0.213 200 E C -1.139 175.499 176.600 0.064 0.000 1.282 200 E CA 0.485 56.958 56.400 0.123 0.000 0.707 200 E CB -0.869 28.920 29.700 0.149 0.000 1.150 200 E HN 0.475 nan 8.360 nan 0.000 0.362 201 Y N 0.555 120.874 120.300 0.031 0.000 2.530 201 Y HA 0.095 4.645 4.550 0.000 0.000 0.340 201 Y C 0.525 176.440 175.900 0.026 0.000 1.247 201 Y CA 0.443 58.588 58.100 0.075 0.000 1.727 201 Y CB 0.086 38.662 38.460 0.194 0.000 1.613 201 Y HN 0.046 nan 8.280 nan 0.000 0.464 202 S N 1.165 116.563 115.700 -0.503 0.000 2.787 202 S HA 0.480 4.950 4.470 0.000 0.000 0.255 202 S C 0.407 174.330 174.600 -1.128 0.000 1.051 202 S CA 0.123 57.903 58.200 -0.700 0.000 1.124 202 S CB 0.923 63.694 63.200 -0.715 0.000 1.104 202 S HN 0.760 nan 8.310 nan 0.000 0.623 203 G N 0.524 108.338 108.800 -1.643 0.000 2.489 203 G HA2 0.675 4.635 3.960 0.000 0.000 0.291 203 G HA3 0.675 4.635 3.960 0.000 0.000 0.291 203 G C -1.654 172.596 174.900 -1.084 0.000 1.487 203 G CA 0.046 44.334 45.100 -1.353 0.000 0.795 203 G HN 0.393 nan 8.290 nan 0.000 0.513 204 A N -1.291 121.149 122.820 -0.633 0.000 2.524 204 A HA 1.038 5.358 4.320 0.000 0.000 0.286 204 A C 0.101 177.600 177.584 -0.142 0.000 1.203 204 A CA -0.082 51.782 52.037 -0.288 0.000 0.736 204 A CB 1.292 20.258 19.000 -0.056 0.000 1.322 204 A HN 2.694 nan 8.150 nan 0.000 0.424 205 C N -4.108 115.157 119.300 -0.058 0.000 3.253 205 C HA 0.506 4.966 4.460 0.000 0.000 0.361 205 C C 0.506 175.492 174.990 -0.006 0.000 1.498 205 C CA -0.129 58.868 59.018 -0.035 0.000 1.163 205 C CB 0.204 27.922 27.740 -0.037 0.000 1.687 205 C HN 2.257 nan 8.230 nan 0.000 0.430 206 C N 1.043 120.336 119.300 -0.011 0.000 4.185 206 C HA 0.274 4.734 4.460 0.000 0.000 0.297 206 C C 1.824 176.812 174.990 -0.003 0.000 1.463 206 C CA 1.805 60.817 59.018 -0.011 0.000 2.032 206 C CB -2.785 24.943 27.740 -0.019 0.000 1.282 206 C HN 3.014 nan 8.230 nan 0.000 0.770 207 G N -2.060 106.742 108.800 0.003 0.000 2.253 207 G HA2 -0.227 3.733 3.960 0.000 0.000 0.209 207 G HA3 -0.227 3.733 3.960 0.000 0.000 0.209 207 G C -0.201 174.723 174.900 0.040 0.000 0.997 207 G CA 0.222 45.327 45.100 0.008 0.000 0.640 207 G HN 1.357 nan 8.290 nan 0.000 0.496 208 Y N 2.653 122.913 120.300 -0.068 0.000 2.350 208 Y HA 0.662 5.212 4.550 0.000 0.000 0.340 208 Y C 0.501 176.373 175.900 -0.046 0.000 1.006 208 Y CA -0.996 57.062 58.100 -0.069 0.000 1.166 208 Y CB 0.730 39.129 38.460 -0.102 0.000 1.168 208 Y HN 0.054 nan 8.280 nan 0.000 0.502 209 N N 3.664 121.968 118.700 -0.661 0.000 2.291 209 N HA 0.109 4.849 4.740 0.000 0.000 0.244 209 N C 1.034 176.186 175.510 -0.598 0.000 1.216 209 N CA 0.468 53.219 53.050 -0.499 0.000 0.879 209 N CB 1.231 39.577 38.487 -0.234 0.000 1.167 209 N HN 0.950 nan 8.380 nan 0.000 0.515 210 G N -0.077 108.013 108.800 -1.183 0.000 2.985 210 G HA2 -0.013 3.947 3.960 0.000 0.000 0.209 210 G HA3 -0.013 3.947 3.960 0.000 0.000 0.209 210 G C 0.150 174.916 174.900 -0.224 0.000 1.165 210 G CA -0.196 44.567 45.100 -0.562 0.000 0.776 210 G HN 0.184 nan 8.290 nan 0.000 0.541 211 F N 3.235 122.965 119.950 -0.366 0.000 2.412 211 F HA 0.505 5.032 4.527 0.000 0.000 0.348 211 F C -1.639 174.066 175.800 -0.158 0.000 1.102 211 F CA -2.731 55.172 58.000 -0.161 0.000 1.196 211 F CB 1.045 39.918 39.000 -0.212 0.000 1.144 211 F HN -0.102 nan 8.300 nan 0.000 0.541 212 P HA 0.147 nan 4.420 nan 0.000 0.287 212 P C -1.550 175.588 177.300 -0.270 0.000 1.281 212 P CA -0.366 61.989 63.100 -1.241 0.000 0.781 212 P CB 1.359 32.326 31.700 -1.221 0.000 0.903 213 D N 2.198 122.663 120.400 0.108 0.000 2.411 213 D HA 0.210 4.850 4.640 0.000 0.000 0.225 213 D C 1.585 177.984 176.300 0.166 0.000 1.156 213 D CA -0.281 53.820 54.000 0.169 0.000 0.874 213 D CB 0.770 41.732 40.800 0.269 0.000 1.034 213 D HN 0.494 nan 8.370 nan 0.000 0.502 214 G N 2.458 111.303 108.800 0.075 0.000 2.440 214 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 214 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 214 G C 1.453 176.387 174.900 0.057 0.000 1.154 214 G CA 1.214 46.346 45.100 0.053 0.000 0.767 214 G HN 0.554 nan 8.290 nan 0.000 0.552 215 S N -0.670 115.080 115.700 0.083 0.000 2.453 215 S HA -0.087 4.383 4.470 0.000 0.000 0.231 215 S C 2.074 176.750 174.600 0.126 0.000 1.005 215 S CA 1.160 59.418 58.200 0.095 0.000 0.949 215 S CB -0.471 62.788 63.200 0.099 0.000 0.774 215 S HN 0.490 nan 8.310 nan 0.000 0.510 216 Y N 2.354 122.652 120.300 -0.003 0.000 2.133 216 Y HA 0.011 4.561 4.550 0.000 0.000 0.287 216 Y C 2.350 178.199 175.900 -0.085 0.000 1.134 216 Y CA 1.548 59.618 58.100 -0.050 0.000 1.133 216 Y CB -0.429 37.988 38.460 -0.071 0.000 0.987 216 Y HN 0.120 nan 8.280 nan 0.000 0.502 217 M N 0.025 119.437 119.600 -0.314 0.000 2.159 217 M HA -0.195 4.285 4.480 0.000 0.000 0.263 217 M C 2.200 178.340 176.300 -0.266 0.000 1.063 217 M CA 1.662 56.705 55.300 -0.428 0.000 1.110 217 M CB -1.194 31.228 32.600 -0.296 0.000 1.374 217 M HN 0.375 nan 8.290 nan 0.000 0.411 218 Q N -0.331 119.398 119.800 -0.119 0.000 2.170 218 Q HA -0.192 4.148 4.340 0.000 0.000 0.203 218 Q C 1.877 177.856 176.000 -0.036 0.000 0.976 218 Q CA 1.643 57.407 55.803 -0.064 0.000 0.858 218 Q CB -0.567 28.173 28.738 0.003 0.000 0.907 218 Q HN 0.545 nan 8.270 nan 0.000 0.433 219 Y N -0.111 120.104 120.300 -0.142 0.000 2.145 219 Y HA -0.153 4.397 4.550 0.000 0.000 0.286 219 Y C 1.698 177.497 175.900 -0.168 0.000 1.145 219 Y CA 1.819 59.857 58.100 -0.103 0.000 1.148 219 Y CB -0.105 38.274 38.460 -0.136 0.000 0.981 219 Y HN 0.140 nan 8.280 nan 0.000 0.507 220 I N 0.043 120.546 120.570 -0.113 0.000 2.226 220 I HA -0.280 3.890 4.170 0.000 0.000 0.245 220 I C 2.131 178.106 176.117 -0.236 0.000 1.100 220 I CA 1.744 62.924 61.300 -0.201 0.000 1.374 220 I CB -0.420 37.394 38.000 -0.311 0.000 1.057 220 I HN 0.295 nan 8.210 nan 0.000 0.413 221 E N 0.825 120.822 120.200 -0.337 0.000 2.047 221 E HA -0.220 4.130 4.350 0.000 0.000 0.191 221 E C 1.788 178.326 176.600 -0.102 0.000 0.987 221 E CA 1.378 57.502 56.400 -0.460 0.000 0.799 221 E CB -0.062 29.330 29.700 -0.513 0.000 0.752 221 E HN 0.400 nan 8.360 nan 0.000 0.449 222 D N -0.045 120.307 120.400 -0.080 0.000 2.123 222 D HA -0.155 4.485 4.640 0.000 0.000 0.196 222 D C 1.828 178.066 176.300 -0.104 0.000 0.992 222 D CA 1.086 55.049 54.000 -0.062 0.000 0.833 222 D CB -0.317 40.434 40.800 -0.081 0.000 0.954 222 D HN 0.347 nan 8.370 nan 0.000 0.455 223 H N 0.010 118.909 119.070 -0.284 0.000 2.387 223 H HA -0.008 4.548 4.556 0.000 0.000 0.299 223 H C 1.994 177.218 175.328 -0.174 0.000 1.090 223 H CA 1.147 57.034 56.048 -0.269 0.000 1.332 223 H CB 0.221 29.776 29.762 -0.345 0.000 1.386 223 H HN 0.099 nan 8.280 nan 0.000 0.516 224 A N 1.459 124.261 122.820 -0.030 0.000 1.898 224 A HA -0.139 4.181 4.320 0.000 0.000 0.216 224 A C 2.420 179.938 177.584 -0.109 0.000 1.181 224 A CA 0.855 52.834 52.037 -0.095 0.000 0.620 224 A CB -0.202 18.681 19.000 -0.195 0.000 0.819 224 A HN 0.224 nan 8.150 nan 0.000 0.442 225 R N 0.098 120.577 120.500 -0.035 0.000 2.081 225 R HA -0.115 4.225 4.340 0.000 0.000 0.235 225 R C 1.307 177.545 176.300 -0.103 0.000 1.131 225 R CA 1.525 57.583 56.100 -0.070 0.000 0.960 225 R CB -0.730 29.563 30.300 -0.011 0.000 0.856 225 R HN 0.505 nan 8.270 nan 0.000 0.436 226 D N 0.527 120.853 120.400 -0.124 0.000 2.264 226 D HA -0.075 4.565 4.640 0.000 0.000 0.208 226 D C 1.365 177.587 176.300 -0.129 0.000 0.966 226 D CA 1.040 54.951 54.000 -0.148 0.000 0.864 226 D CB 0.017 40.678 40.800 -0.231 0.000 0.933 226 D HN 0.199 nan 8.370 nan 0.000 0.499 227 A N -0.549 122.199 122.820 -0.120 0.000 2.251 227 A HA 0.447 4.767 4.320 0.000 0.000 0.209 227 A C 1.709 179.241 177.584 -0.087 0.000 1.187 227 A CA 0.990 52.968 52.037 -0.100 0.000 0.823 227 A CB 0.084 19.029 19.000 -0.092 0.000 0.846 227 A HN 0.242 nan 8.150 nan 0.000 0.486 228 G N -1.087 107.654 108.800 -0.099 0.000 2.192 228 G HA2 -0.140 3.820 3.960 0.000 0.000 0.193 228 G HA3 -0.140 3.820 3.960 0.000 0.000 0.193 228 G C -0.033 174.795 174.900 -0.121 0.000 0.999 228 G CA -0.102 44.941 45.100 -0.094 0.000 0.659 228 G HN 0.245 nan 8.290 nan 0.000 0.503 229 I N 2.521 122.990 120.570 -0.168 0.000 2.517 229 I HA 0.256 4.426 4.170 0.000 0.000 0.285 229 I C 1.821 177.773 176.117 -0.275 0.000 1.106 229 I CA 0.678 61.828 61.300 -0.250 0.000 1.402 229 I CB 1.007 38.736 38.000 -0.451 0.000 1.399 229 I HN 0.406 nan 8.210 nan 0.000 0.535 230 V N 5.501 125.271 119.914 -0.240 0.000 3.604 230 V HA 0.148 4.268 4.120 0.000 0.000 0.277 230 V C 0.639 176.593 176.094 -0.234 0.000 1.399 230 V CA -0.138 62.031 62.300 -0.219 0.000 1.034 230 V CB -0.034 31.711 31.823 -0.131 0.000 0.824 230 V HN 0.452 nan 8.190 nan 0.000 0.439 231 V N -1.512 118.260 119.914 -0.235 0.000 3.376 231 V HA 0.477 4.597 4.120 0.000 0.000 0.303 231 V C -2.195 173.723 176.094 -0.294 0.000 1.100 231 V CA -1.621 60.572 62.300 -0.179 0.000 1.126 231 V CB -0.394 31.363 31.823 -0.109 0.000 1.085 231 V HN 0.268 nan 8.190 nan 0.000 0.480 232 P HA 0.280 nan 4.420 nan 0.000 0.271 232 P C -0.957 176.212 177.300 -0.218 0.000 1.216 232 P CA 0.071 63.054 63.100 -0.195 0.000 0.776 232 P CB 0.093 31.734 31.700 -0.098 0.000 0.881 233 F N 2.584 122.491 119.950 -0.072 0.000 2.404 233 F HA 0.459 4.986 4.527 0.000 0.000 0.345 233 F C 0.774 176.493 175.800 -0.135 0.000 1.110 233 F CA -0.393 57.579 58.000 -0.047 0.000 1.130 233 F CB 0.395 39.379 39.000 -0.027 0.000 1.129 233 F HN 0.141 nan 8.300 nan 0.000 0.500 234 I N 2.591 123.203 120.570 0.070 0.000 2.608 234 I HA 0.487 4.657 4.170 0.000 0.000 0.295 234 I C -0.398 175.668 176.117 -0.084 0.000 1.049 234 I CA -0.305 60.922 61.300 -0.122 0.000 1.063 234 I CB 1.547 39.361 38.000 -0.311 0.000 1.248 234 I HN 0.666 nan 8.210 nan 0.000 0.424 235 S N 4.603 120.231 115.700 -0.120 0.000 2.745 235 S HA 0.539 5.009 4.470 0.000 0.000 0.292 235 S C -0.500 174.010 174.600 -0.149 0.000 1.133 235 S CA -0.680 57.469 58.200 -0.084 0.000 0.998 235 S CB 1.500 64.689 63.200 -0.019 0.000 1.087 235 S HN 0.730 nan 8.310 nan 0.000 0.551 236 N N 0.275 118.937 118.700 -0.063 0.000 2.711 236 N HA 0.152 4.892 4.740 0.000 0.000 0.263 236 N C -1.539 173.985 175.510 0.024 0.000 1.667 236 N CA -0.366 52.658 53.050 -0.043 0.000 0.785 236 N CB 0.113 38.620 38.487 0.034 0.000 1.231 236 N HN 0.544 nan 8.380 nan 0.000 0.503 237 D N 1.113 121.498 120.400 -0.024 0.000 2.525 237 D HA 0.095 4.735 4.640 0.000 0.000 0.235 237 D C 1.372 177.698 176.300 0.044 0.000 1.137 237 D CA 0.247 54.258 54.000 0.019 0.000 0.868 237 D CB 1.487 42.324 40.800 0.062 0.000 1.180 237 D HN 0.521 nan 8.370 nan 0.000 0.465 238 A N 3.843 126.630 122.820 -0.055 0.000 1.978 238 A HA -0.032 4.288 4.320 0.000 0.000 0.220 238 A C 0.457 178.294 177.584 0.422 0.000 1.170 238 A CA 1.495 53.642 52.037 0.183 0.000 0.636 238 A CB -0.444 18.646 19.000 0.151 0.000 0.810 238 A HN 0.685 nan 8.150 nan 0.000 0.448 239 W N -4.753 116.704 121.300 0.263 0.000 3.042 239 W HA 0.680 5.340 4.660 0.000 0.000 0.342 239 W C -0.222 176.336 176.519 0.064 0.000 1.240 239 W CA -0.930 56.542 57.345 0.211 0.000 1.166 239 W CB 0.923 30.514 29.460 0.219 0.000 1.469 239 W HN 0.095 nan 8.180 nan 0.000 0.579 240 A N 1.253 124.117 122.820 0.074 0.000 2.993 240 A HA 0.493 4.813 4.320 0.000 0.000 0.281 240 A C 0.692 178.348 177.584 0.119 0.000 1.847 240 A CA 0.498 52.447 52.037 -0.147 0.000 1.470 240 A CB -1.168 17.641 19.000 -0.318 0.000 1.028 240 A HN 1.250 nan 8.150 nan 0.000 0.604 241 A N 0.927 123.737 122.820 -0.017 0.000 2.431 241 A HA 0.492 4.812 4.320 0.000 0.000 0.239 241 A C 1.634 178.987 177.584 -0.386 0.000 1.230 241 A CA 0.839 52.764 52.037 -0.187 0.000 0.928 241 A CB -0.320 18.384 19.000 -0.494 0.000 1.006 241 A HN 2.157 nan 8.150 nan 0.000 0.520 242 G N -0.391 108.194 108.800 -0.358 0.000 2.155 242 G HA2 -0.298 3.662 3.960 0.000 0.000 0.257 242 G HA3 -0.298 3.662 3.960 0.000 0.000 0.257 242 G C 0.023 174.692 174.900 -0.384 0.000 0.983 242 G CA 0.528 45.218 45.100 -0.684 0.000 0.676 242 G HN 0.802 nan 8.290 nan 0.000 0.528 243 H N -0.085 118.993 119.070 0.013 0.000 3.034 243 H HA 0.307 4.863 4.556 0.000 0.000 0.324 243 H C 1.391 176.812 175.328 0.156 0.000 1.015 243 H CA 0.811 56.901 56.048 0.070 0.000 1.429 243 H CB 0.100 29.925 29.762 0.105 0.000 1.429 243 H HN 0.511 nan 8.280 nan 0.000 0.585 244 N N -0.317 118.510 118.700 0.211 0.000 2.708 244 N HA -0.253 4.488 4.740 0.000 0.000 0.251 244 N C -0.446 175.151 175.510 0.144 0.000 1.123 244 N CA 0.114 53.261 53.050 0.162 0.000 0.739 244 N CB -0.601 37.999 38.487 0.190 0.000 1.113 244 N HN 0.686 nan 8.380 nan 0.000 0.561 245 A N 0.392 123.245 122.820 0.055 0.000 2.406 245 A HA 0.430 4.750 4.320 0.000 0.000 0.243 245 A C -1.926 175.664 177.584 0.011 0.000 1.082 245 A CA -0.727 51.306 52.037 -0.007 0.000 0.786 245 A CB 0.189 19.002 19.000 -0.310 0.000 1.029 245 A HN -0.034 nan 8.150 nan 0.000 0.495 246 P HA 0.227 nan 4.420 nan 0.000 0.264 246 P C 0.949 178.257 177.300 0.014 0.000 1.183 246 P CA 2.100 65.227 63.100 0.044 0.000 0.763 246 P CB 0.543 32.286 31.700 0.072 0.000 0.807 247 G N 2.068 110.881 108.800 0.022 0.000 2.175 247 G HA2 -0.262 3.698 3.960 0.000 0.000 0.244 247 G HA3 -0.262 3.698 3.960 0.000 0.000 0.244 247 G C 0.767 175.664 174.900 -0.004 0.000 0.982 247 G CA 0.433 45.537 45.100 0.006 0.000 0.641 247 G HN 0.620 nan 8.290 nan 0.000 0.527 248 T N -0.950 113.603 114.554 -0.001 0.000 3.144 248 T HA 0.519 4.869 4.350 0.000 0.000 0.249 248 T C 2.001 176.704 174.700 0.005 0.000 1.089 248 T CA 1.297 63.394 62.100 -0.005 0.000 0.989 248 T CB 0.452 69.317 68.868 -0.005 0.000 0.992 248 T HN 2.360 nan 8.240 nan 0.000 0.540 249 G N 1.610 110.418 108.800 0.012 0.000 2.512 249 G HA2 0.147 4.107 3.960 0.000 0.000 0.240 249 G HA3 0.147 4.107 3.960 0.000 0.000 0.240 249 G C 0.158 175.070 174.900 0.020 0.000 1.246 249 G CA -0.297 44.812 45.100 0.015 0.000 0.919 249 G HN 1.275 nan 8.290 nan 0.000 0.577 250 A N -0.070 122.761 122.820 0.018 0.000 2.565 250 A HA 0.566 4.886 4.320 0.000 0.000 0.237 250 A C 2.219 179.811 177.584 0.013 0.000 1.053 250 A CA 2.639 54.688 52.037 0.019 0.000 0.755 250 A CB -0.475 18.539 19.000 0.023 0.000 0.980 250 A HN 2.969 nan 8.150 nan 0.000 0.506 251 G N 0.752 109.551 108.800 -0.002 0.000 2.217 251 G HA2 0.135 4.096 3.960 0.000 0.000 0.246 251 G HA3 0.135 4.096 3.960 0.000 0.000 0.246 251 G C 0.699 175.592 174.900 -0.011 0.000 0.990 251 G CA 0.520 45.602 45.100 -0.029 0.000 0.627 251 G HN 2.325 nan 8.290 nan 0.000 0.522 252 A N 0.457 123.291 122.820 0.023 0.000 2.540 252 A HA 0.599 4.919 4.320 0.000 0.000 0.239 252 A C 1.153 178.774 177.584 0.062 0.000 1.061 252 A CA 0.671 52.737 52.037 0.049 0.000 0.758 252 A CB 0.265 19.297 19.000 0.052 0.000 0.991 252 A HN 1.929 nan 8.150 nan 0.000 0.502 253 V N 0.170 120.130 119.914 0.077 0.000 3.369 253 V HA 0.378 4.498 4.120 0.000 0.000 0.309 253 V C 0.663 176.807 176.094 0.083 0.000 1.069 253 V CA -0.184 62.176 62.300 0.101 0.000 1.042 253 V CB 0.812 32.680 31.823 0.075 0.000 1.192 253 V HN 0.823 nan 8.190 nan 0.000 0.447 254 D N 0.009 120.433 120.400 0.041 0.000 2.183 254 D HA 0.204 4.844 4.640 0.000 0.000 0.205 254 D C 0.484 176.552 176.300 -0.386 0.000 0.962 254 D CA 1.625 55.551 54.000 -0.124 0.000 0.849 254 D CB 0.389 41.053 40.800 -0.227 0.000 0.978 254 D HN 0.504 nan 8.370 nan 0.000 0.488 255 I N 0.717 121.071 120.570 -0.360 0.000 2.478 255 I HA 0.112 4.282 4.170 0.000 0.000 0.287 255 I C -0.900 175.133 176.117 -0.140 0.000 1.042 255 I CA -1.082 59.996 61.300 -0.370 0.000 1.067 255 I CB 2.065 39.735 38.000 -0.549 0.000 1.233 255 I HN -0.167 nan 8.210 nan 0.000 0.431 256 Y N 5.953 126.183 120.300 -0.118 0.000 2.377 256 Y HA 0.597 5.147 4.550 0.000 0.000 0.330 256 Y C 0.345 176.226 175.900 -0.031 0.000 1.108 256 Y CA -0.095 57.983 58.100 -0.037 0.000 1.308 256 Y CB 1.007 39.478 38.460 0.018 0.000 1.216 256 Y HN 0.565 nan 8.280 nan 0.000 0.518 257 G N 4.381 112.689 108.800 -0.820 0.000 2.619 257 G HA2 0.573 4.533 3.960 0.000 0.000 0.296 257 G HA3 0.573 4.533 3.960 0.000 0.000 0.296 257 G C -2.044 172.445 174.900 -0.685 0.000 1.334 257 G CA -0.858 43.846 45.100 -0.660 0.000 0.934 257 G HN 0.979 nan 8.290 nan 0.000 0.476 258 H N -1.656 117.131 119.070 -0.471 0.000 2.990 258 H HA 0.743 5.299 4.556 0.000 0.000 0.343 258 H C -1.525 173.743 175.328 -0.101 0.000 1.270 258 H CA -0.961 54.928 56.048 -0.265 0.000 1.118 258 H CB 1.849 31.497 29.762 -0.190 0.000 1.861 258 H HN 0.320 nan 8.280 nan 0.000 0.544 259 D N -0.205 120.281 120.400 0.143 0.000 2.384 259 D HA 0.552 5.192 4.640 0.000 0.000 0.250 259 D C -0.693 175.789 176.300 0.303 0.000 1.029 259 D CA -0.663 53.437 54.000 0.167 0.000 0.990 259 D CB 1.898 42.888 40.800 0.316 0.000 1.175 259 D HN 0.482 nan 8.370 nan 0.000 0.532 260 S N -0.037 115.769 115.700 0.177 0.000 2.584 260 S HA 0.390 4.861 4.470 0.000 0.000 0.280 260 S C -2.101 172.314 174.600 -0.308 0.000 1.162 260 S CA -0.634 57.695 58.200 0.215 0.000 0.951 260 S CB 0.037 63.551 63.200 0.524 0.000 1.108 260 S HN 0.356 nan 8.310 nan 0.000 0.464 261 Y N 5.023 125.285 120.300 -0.064 0.000 2.511 261 Y HA 0.351 4.901 4.550 0.000 0.000 0.356 261 Y C -1.639 174.094 175.900 -0.277 0.000 1.002 261 Y CA -1.575 56.352 58.100 -0.288 0.000 1.127 261 Y CB 1.122 39.394 38.460 -0.314 0.000 1.137 261 Y HN 0.496 nan 8.280 nan 0.000 0.652 262 P HA -0.187 nan 4.420 nan 0.000 0.218 262 P C 0.940 178.152 177.300 -0.147 0.000 1.146 262 P CA 1.485 64.580 63.100 -0.009 0.000 0.813 262 P CB 0.671 32.495 31.700 0.206 0.000 0.778 263 L N -1.941 119.064 121.223 -0.363 0.000 2.607 263 L HA 0.280 4.620 4.340 0.000 0.000 0.228 263 L C 1.306 177.949 176.870 -0.379 0.000 1.123 263 L CA 0.249 54.860 54.840 -0.381 0.000 0.890 263 L CB -0.594 41.108 42.059 -0.595 0.000 1.103 263 L HN 0.115 nan 8.230 nan 0.000 0.468 264 G N 0.212 108.718 108.800 -0.490 0.000 2.741 264 G HA2 -0.316 3.644 3.960 0.000 0.000 0.222 264 G HA3 -0.316 3.644 3.960 0.000 0.000 0.222 264 G C -0.265 174.072 174.900 -0.937 0.000 1.364 264 G CA -0.140 44.572 45.100 -0.646 0.000 0.866 264 G HN 0.078 nan 8.290 nan 0.000 0.555 265 F N 0.316 120.073 119.950 -0.322 0.000 2.688 265 F HA 0.337 4.864 4.527 0.000 0.000 0.310 265 F C 0.858 176.413 175.800 -0.408 0.000 1.098 265 F CA -0.185 57.480 58.000 -0.559 0.000 1.228 265 F CB 0.903 39.254 39.000 -1.082 0.000 1.042 265 F HN 0.375 nan 8.300 nan 0.000 0.557 266 D N 0.414 120.736 120.400 -0.131 0.000 2.396 266 D HA 0.174 4.814 4.640 0.000 0.000 0.225 266 D C 0.270 176.512 176.300 -0.097 0.000 1.121 266 D CA -0.070 53.880 54.000 -0.083 0.000 0.853 266 D CB 0.991 41.767 40.800 -0.039 0.000 1.043 266 D HN 0.140 nan 8.370 nan 0.000 0.500 267 c N 3.534 122.073 118.600 -0.101 0.000 2.559 267 c HA 0.335 4.905 4.570 0.000 0.000 0.300 267 c C 2.180 176.241 174.090 -0.047 0.000 1.288 267 c CA -0.082 56.196 56.329 -0.085 0.000 1.699 267 c CB -1.487 40.963 42.510 -0.099 0.000 1.819 267 c HN 0.707 nan 8.230 nan 0.000 0.600 268 A N 1.498 124.296 122.820 -0.037 0.000 2.019 268 A HA -0.092 4.228 4.320 0.000 0.000 0.219 268 A C 0.985 178.566 177.584 -0.006 0.000 1.164 268 A CA 1.406 53.431 52.037 -0.021 0.000 0.644 268 A CB -0.177 18.814 19.000 -0.015 0.000 0.805 268 A HN 0.674 nan 8.150 nan 0.000 0.449 269 N N -0.162 118.540 118.700 0.003 0.000 2.844 269 N HA 0.184 4.924 4.740 0.000 0.000 0.268 269 N C -2.373 173.160 175.510 0.039 0.000 1.574 269 N CA -1.126 51.935 53.050 0.019 0.000 0.838 269 N CB 1.109 39.611 38.487 0.026 0.000 1.177 269 N HN 0.246 nan 8.380 nan 0.000 0.495 270 P HA -0.150 nan 4.420 nan 0.000 0.220 270 P C 1.062 178.419 177.300 0.095 0.000 1.144 270 P CA 1.258 64.394 63.100 0.059 0.000 0.800 270 P CB 0.369 32.092 31.700 0.039 0.000 0.772 271 S N -2.702 113.023 115.700 0.042 0.000 2.556 271 S HA 0.084 4.554 4.470 0.000 0.000 0.216 271 S C 0.763 175.345 174.600 -0.030 0.000 0.970 271 S CA -0.258 57.923 58.200 -0.031 0.000 0.912 271 S CB -0.939 62.220 63.200 -0.068 0.000 0.790 271 S HN -0.026 nan 8.310 nan 0.000 0.504 272 T N 3.283 117.897 114.554 0.100 0.000 2.728 272 T HA 0.302 4.652 4.350 0.000 0.000 0.296 272 T C -1.372 173.568 174.700 0.400 0.000 0.940 272 T CA -0.222 61.968 62.100 0.149 0.000 1.013 272 T CB 0.043 68.972 68.868 0.102 0.000 0.912 272 T HN 0.393 nan 8.240 nan 0.000 0.484 273 W N 5.178 126.492 121.300 0.024 0.000 2.363 273 W HA 0.389 5.049 4.660 0.000 0.000 0.314 273 W C -2.454 174.133 176.519 0.114 0.000 0.994 273 W CA -3.202 54.204 57.345 0.102 0.000 1.449 273 W CB -0.261 29.200 29.460 0.001 0.000 1.248 273 W HN 0.455 nan 8.180 nan 0.000 0.409 274 P HA -0.067 nan 4.420 nan 0.000 0.265 274 P C 0.373 177.887 177.300 0.356 0.000 1.187 274 P CA 0.389 63.651 63.100 0.269 0.000 0.766 274 P CB 0.771 32.589 31.700 0.197 0.000 0.820 275 S N 2.492 118.341 115.700 0.248 0.000 2.525 275 S HA 0.319 4.789 4.470 0.000 0.000 0.285 275 S C 1.507 176.267 174.600 0.268 0.000 1.283 275 S CA 0.858 59.215 58.200 0.261 0.000 1.072 275 S CB -1.176 62.117 63.200 0.154 0.000 0.867 275 S HN 0.898 nan 8.310 nan 0.000 0.492 276 G N 4.930 113.921 108.800 0.318 0.000 2.179 276 G HA2 -0.275 3.685 3.960 0.000 0.000 0.260 276 G HA3 -0.275 3.685 3.960 0.000 0.000 0.260 276 G C 0.681 175.649 174.900 0.113 0.000 0.977 276 G CA 0.546 45.758 45.100 0.187 0.000 0.641 276 G HN 0.694 nan 8.290 nan 0.000 0.533 277 N N -0.459 118.318 118.700 0.129 0.000 2.396 277 N HA 0.109 4.849 4.740 0.000 0.000 0.180 277 N C 1.002 176.457 175.510 -0.093 0.000 1.028 277 N CA 0.639 53.721 53.050 0.053 0.000 0.893 277 N CB -0.019 38.565 38.487 0.161 0.000 0.967 277 N HN 0.612 nan 8.380 nan 0.000 0.440 278 L N 3.118 124.026 121.223 -0.526 0.000 2.433 278 L HA 0.246 4.586 4.340 0.000 0.000 0.275 278 L C -2.176 174.566 176.870 -0.214 0.000 1.128 278 L CA -1.553 52.957 54.840 -0.549 0.000 0.875 278 L CB 0.159 41.592 42.059 -1.044 0.000 1.171 278 L HN 0.031 nan 8.230 nan 0.000 0.463 279 P HA 0.201 nan 4.420 nan 0.000 0.275 279 P C -0.329 176.859 177.300 -0.188 0.000 1.228 279 P CA -0.276 62.657 63.100 -0.279 0.000 0.786 279 P CB 1.073 32.265 31.700 -0.848 0.000 0.927 280 T N -2.235 112.283 114.554 -0.060 0.000 3.087 280 T HA 0.084 4.434 4.350 0.000 0.000 0.283 280 T C 0.866 175.663 174.700 0.161 0.000 0.956 280 T CA -0.051 62.145 62.100 0.161 0.000 0.894 280 T CB -0.743 68.222 68.868 0.161 0.000 1.160 280 T HN 0.428 nan 8.240 nan 0.000 0.532 281 Y N -0.909 119.354 120.300 -0.062 0.000 2.458 281 Y HA 0.577 5.127 4.550 0.000 0.000 0.256 281 Y C 1.230 177.102 175.900 -0.047 0.000 1.159 281 Y CA -1.723 56.372 58.100 -0.007 0.000 1.261 281 Y CB -0.459 38.029 38.460 0.046 0.000 1.119 281 Y HN -0.015 nan 8.280 nan 0.000 0.524 282 F N 1.427 120.730 119.950 -1.079 0.000 2.154 282 F HA -0.226 4.301 4.527 0.000 0.000 0.301 282 F C 2.842 178.179 175.800 -0.772 0.000 1.087 282 F CA 1.732 59.093 58.000 -1.064 0.000 1.274 282 F CB -1.237 36.855 39.000 -1.513 0.000 1.009 282 F HN 0.474 nan 8.300 nan 0.000 0.485 283 H N -0.439 118.326 119.070 -0.509 0.000 2.363 283 H HA -0.107 4.449 4.556 0.000 0.000 0.301 283 H C 1.811 177.123 175.328 -0.027 0.000 1.074 283 H CA 1.828 57.765 56.048 -0.185 0.000 1.354 283 H CB 0.167 29.991 29.762 0.104 0.000 1.397 283 H HN 0.144 nan 8.280 nan 0.000 0.516 284 T N 0.050 114.531 114.554 -0.122 0.000 2.708 284 T HA -0.123 4.227 4.350 0.000 0.000 0.266 284 T C 2.297 176.948 174.700 -0.081 0.000 1.037 284 T CA 1.538 63.565 62.100 -0.122 0.000 1.146 284 T CB -0.269 68.629 68.868 0.049 0.000 0.865 284 T HN 0.291 nan 8.240 nan 0.000 0.435 285 S N 0.110 115.825 115.700 0.025 0.000 2.383 285 S HA -0.136 4.334 4.470 0.000 0.000 0.227 285 S C 1.872 176.465 174.600 -0.013 0.000 1.026 285 S CA 0.752 58.982 58.200 0.049 0.000 0.981 285 S CB -0.464 62.845 63.200 0.181 0.000 0.818 285 S HN 0.606 nan 8.310 nan 0.000 0.472 286 H N 1.398 120.399 119.070 -0.114 0.000 2.353 286 H HA -0.044 4.513 4.556 0.000 0.000 0.300 286 H C 1.637 176.919 175.328 -0.078 0.000 1.090 286 H CA 1.440 57.456 56.048 -0.055 0.000 1.327 286 H CB 0.051 29.735 29.762 -0.130 0.000 1.383 286 H HN 0.263 nan 8.280 nan 0.000 0.508 287 E N 0.665 120.711 120.200 -0.257 0.000 2.204 287 E HA -0.132 4.218 4.350 0.000 0.000 0.194 287 E C 2.214 178.686 176.600 -0.214 0.000 0.989 287 E CA 0.748 56.990 56.400 -0.264 0.000 0.824 287 E CB -0.073 29.482 29.700 -0.242 0.000 0.756 287 E HN 0.723 nan 8.360 nan 0.000 0.477 288 Q N -0.158 119.535 119.800 -0.177 0.000 2.250 288 Q HA 0.011 4.351 4.340 0.000 0.000 0.200 288 Q C 2.018 177.918 176.000 -0.166 0.000 0.941 288 Q CA 0.643 56.364 55.803 -0.137 0.000 0.872 288 Q CB 0.131 28.813 28.738 -0.094 0.000 0.965 288 Q HN 0.313 nan 8.270 nan 0.000 0.480 289 Q N -0.443 119.229 119.800 -0.213 0.000 2.259 289 Q HA 0.113 4.453 4.340 0.000 0.000 0.201 289 Q C 0.644 176.456 176.000 -0.313 0.000 0.938 289 Q CA 0.610 56.244 55.803 -0.281 0.000 0.872 289 Q CB 0.696 29.221 28.738 -0.355 0.000 0.971 289 Q HN -0.031 nan 8.270 nan 0.000 0.494 290 S N 0.286 115.788 115.700 -0.330 0.000 2.606 290 S HA 0.179 4.649 4.470 0.000 0.000 0.156 290 S C -2.256 172.130 174.600 -0.356 0.000 1.308 290 S CA -0.940 57.115 58.200 -0.242 0.000 1.228 290 S CB 0.535 63.703 63.200 -0.054 0.000 1.568 290 S HN 0.016 nan 8.310 nan 0.000 0.397 291 P HA -0.084 nan 4.420 nan 0.000 0.222 291 P C 1.329 178.611 177.300 -0.029 0.000 1.147 291 P CA 0.978 63.942 63.100 -0.226 0.000 0.790 291 P CB -0.120 31.494 31.700 -0.144 0.000 0.780 292 S N -1.344 114.367 115.700 0.018 0.000 2.527 292 S HA 0.023 4.493 4.470 0.000 0.000 0.222 292 S C 0.989 175.729 174.600 0.234 0.000 0.985 292 S CA 0.311 58.580 58.200 0.115 0.000 0.921 292 S CB -1.242 62.031 63.200 0.121 0.000 0.772 292 S HN 0.318 nan 8.310 nan 0.000 0.529 293 T N -1.017 113.667 114.554 0.217 0.000 2.924 293 T HA 0.659 5.009 4.350 0.000 0.000 0.291 293 T C -3.514 171.363 174.700 0.295 0.000 1.045 293 T CA -2.630 59.607 62.100 0.228 0.000 1.015 293 T CB 1.398 70.280 68.868 0.024 0.000 1.103 293 T HN -0.157 nan 8.240 nan 0.000 0.496 294 P HA 0.104 nan 4.420 nan 0.000 0.267 294 P C -0.901 176.423 177.300 0.039 0.000 1.205 294 P CA -0.327 62.842 63.100 0.115 0.000 0.765 294 P CB -0.084 31.663 31.700 0.078 0.000 0.828 295 Y N 3.597 123.702 120.300 -0.325 0.000 2.721 295 Y HA 0.126 4.676 4.550 0.000 0.000 0.329 295 Y C -0.234 175.540 175.900 -0.210 0.000 1.211 295 Y CA 0.577 58.363 58.100 -0.523 0.000 1.512 295 Y CB -0.102 37.966 38.460 -0.652 0.000 1.249 295 Y HN 0.267 nan 8.280 nan 0.000 0.549 296 S N 7.115 122.393 115.700 -0.703 0.000 2.557 296 S HA 0.541 5.011 4.470 0.000 0.000 0.291 296 S C -1.000 173.159 174.600 -0.734 0.000 1.116 296 S CA -0.832 57.023 58.200 -0.575 0.000 0.992 296 S CB 1.187 64.185 63.200 -0.337 0.000 1.028 296 S HN 0.640 nan 8.310 nan 0.000 0.484 297 L N 3.458 124.355 121.223 -0.543 0.000 2.313 297 L HA 0.350 4.690 4.340 0.000 0.000 0.273 297 L C 0.793 177.607 176.870 -0.093 0.000 1.028 297 L CA -0.426 54.143 54.840 -0.451 0.000 0.871 297 L CB 1.062 42.905 42.059 -0.360 0.000 1.242 297 L HN 0.550 nan 8.230 nan 0.000 0.434 298 V N 1.463 121.329 119.914 -0.081 0.000 2.809 298 V HA -0.049 4.071 4.120 0.000 0.000 0.256 298 V C 0.672 176.856 176.094 0.150 0.000 1.080 298 V CA 1.279 63.637 62.300 0.097 0.000 1.102 298 V CB -0.422 31.370 31.823 -0.052 0.000 0.705 298 V HN 0.688 nan 8.190 nan 0.000 0.475 299 E N -0.798 119.460 120.200 0.096 0.000 2.361 299 E HA 0.381 4.731 4.350 0.000 0.000 0.270 299 E C -1.645 174.960 176.600 0.008 0.000 0.911 299 E CA -0.360 56.123 56.400 0.139 0.000 0.818 299 E CB 1.999 31.821 29.700 0.203 0.000 1.332 299 E HN 0.219 nan 8.360 nan 0.000 0.402 300 F N 2.131 122.016 119.950 -0.109 0.000 2.520 300 F HA 0.244 4.771 4.527 0.000 0.000 0.322 300 F C 0.156 175.867 175.800 -0.149 0.000 1.103 300 F CA -0.721 57.171 58.000 -0.180 0.000 0.926 300 F CB 1.668 40.620 39.000 -0.080 0.000 1.154 300 F HN 0.326 nan 8.300 nan 0.000 0.453 301 Q N 3.116 122.336 119.800 -0.966 0.000 2.436 301 Q HA 0.150 4.490 4.340 0.000 0.000 0.326 301 Q C 0.499 176.740 176.000 0.401 0.000 1.079 301 Q CA 1.163 56.774 55.803 -0.319 0.000 1.049 301 Q CB 0.441 28.940 28.738 -0.398 0.000 1.047 301 Q HN 0.972 nan 8.270 nan 0.000 0.386 302 G N 2.367 111.466 108.800 0.498 0.000 3.528 302 G HA2 0.523 4.483 3.960 0.000 0.000 0.266 302 G HA3 0.523 4.483 3.960 0.000 0.000 0.266 302 G C 0.134 175.307 174.900 0.456 0.000 1.004 302 G CA 0.375 45.819 45.100 0.574 0.000 0.853 302 G HN 0.955 nan 8.290 nan 0.000 0.501 303 G N -0.897 108.132 108.800 0.381 0.000 2.399 303 G HA2 0.642 4.602 3.960 0.000 0.000 0.256 303 G HA3 0.642 4.602 3.960 0.000 0.000 0.256 303 G C -1.706 173.061 174.900 -0.222 0.000 1.236 303 G CA 0.225 45.376 45.100 0.084 0.000 0.914 303 G HN 1.278 nan 8.290 nan 0.000 0.482 304 A N -1.206 121.116 122.820 -0.830 0.000 2.604 304 A HA 0.827 5.147 4.320 0.000 0.000 0.295 304 A C -0.647 176.432 177.584 -0.841 0.000 1.067 304 A CA -0.299 51.320 52.037 -0.698 0.000 0.683 304 A CB 0.699 19.512 19.000 -0.313 0.000 1.281 304 A HN 2.027 nan 8.150 nan 0.000 0.407 305 F N 0.190 119.957 119.950 -0.306 0.000 2.368 305 F HA 0.809 5.336 4.527 0.000 0.000 0.308 305 F C 0.004 175.789 175.800 -0.025 0.000 1.198 305 F CA -0.857 57.155 58.000 0.021 0.000 1.130 305 F CB 0.442 39.525 39.000 0.139 0.000 1.300 305 F HN 0.487 nan 8.300 nan 0.000 0.537 306 D N 0.480 120.985 120.400 0.175 0.000 2.964 306 D HA 0.438 5.078 4.640 0.000 0.000 0.234 306 D C -3.016 173.312 176.300 0.046 0.000 1.223 306 D CA -1.840 52.083 54.000 -0.127 0.000 0.889 306 D CB 2.361 42.706 40.800 -0.759 0.000 1.609 306 D HN 0.345 nan 8.370 nan 0.000 0.523 307 P HA 0.255 nan 4.420 nan 0.000 0.278 307 P C -0.398 177.041 177.300 0.233 0.000 1.266 307 P CA -0.565 62.641 63.100 0.177 0.000 0.807 307 P CB 0.743 32.539 31.700 0.160 0.000 1.094 308 W N -0.362 121.051 121.300 0.188 0.000 2.231 308 W HA 0.310 4.970 4.660 0.000 0.000 0.341 308 W C 1.680 178.170 176.519 -0.049 0.000 1.298 308 W CA 2.033 59.407 57.345 0.048 0.000 1.266 308 W CB -0.428 29.035 29.460 0.005 0.000 1.172 308 W HN 0.786 nan 8.180 nan 0.000 0.568 309 G N 1.715 110.577 108.800 0.103 0.000 2.153 309 G HA2 -0.217 3.743 3.960 0.000 0.000 0.252 309 G HA3 -0.217 3.743 3.960 0.000 0.000 0.252 309 G C 0.495 175.383 174.900 -0.021 0.000 0.994 309 G CA -0.076 45.031 45.100 0.012 0.000 0.698 309 G HN 1.005 nan 8.290 nan 0.000 0.521 310 G N -1.174 107.599 108.800 -0.045 0.000 2.489 310 G HA2 0.560 4.520 3.960 0.000 0.000 0.271 310 G HA3 0.560 4.520 3.960 0.000 0.000 0.271 310 G C 1.377 176.224 174.900 -0.090 0.000 1.427 310 G CA 1.129 46.203 45.100 -0.044 0.000 1.057 310 G HN 1.307 nan 8.290 nan 0.000 0.532 311 V N -2.998 116.859 119.914 -0.095 0.000 3.660 311 V HA 0.578 4.698 4.120 0.000 0.000 0.276 311 V C 1.002 177.037 176.094 -0.099 0.000 1.317 311 V CA 0.495 62.743 62.300 -0.086 0.000 1.097 311 V CB -0.887 30.898 31.823 -0.064 0.000 0.863 311 V HN 2.134 nan 8.190 nan 0.000 0.438 312 G N -0.225 108.484 108.800 -0.152 0.000 2.712 312 G HA2 -0.157 3.803 3.960 0.000 0.000 0.686 312 G HA3 -0.157 3.803 3.960 0.000 0.000 0.686 312 G C -0.529 174.295 174.900 -0.126 0.000 1.181 312 G CA -0.181 44.848 45.100 -0.118 0.000 0.762 312 G HN 0.132 nan 8.290 nan 0.000 0.641 313 F N 1.589 121.590 119.950 0.085 0.000 2.604 313 F HA 0.180 4.707 4.527 0.000 0.000 0.298 313 F C 2.858 178.669 175.800 0.020 0.000 1.131 313 F CA 1.819 59.836 58.000 0.027 0.000 1.457 313 F CB -0.284 38.732 39.000 0.026 0.000 1.095 313 F HN 0.762 nan 8.300 nan 0.000 0.574 314 A N 0.041 122.968 122.820 0.179 0.000 1.933 314 A HA -0.188 4.132 4.320 0.000 0.000 0.218 314 A C 2.302 179.937 177.584 0.085 0.000 1.175 314 A CA 1.433 53.543 52.037 0.122 0.000 0.628 314 A CB -0.458 18.594 19.000 0.088 0.000 0.814 314 A HN 0.291 nan 8.150 nan 0.000 0.444 315 K N -0.976 119.455 120.400 0.051 0.000 2.217 315 K HA -0.071 4.250 4.320 0.000 0.000 0.202 315 K C 1.928 178.536 176.600 0.013 0.000 1.051 315 K CA 1.133 57.434 56.287 0.022 0.000 0.952 315 K CB -0.325 32.170 32.500 -0.007 0.000 0.736 315 K HN 0.563 nan 8.250 nan 0.000 0.453 316 c N 0.421 119.035 118.600 0.023 0.000 2.457 316 c HA 0.001 4.571 4.570 0.000 0.000 0.278 316 c C 2.803 176.898 174.090 0.008 0.000 1.309 316 c CA 0.688 57.012 56.329 -0.008 0.000 1.735 316 c CB -0.652 41.878 42.510 0.033 0.000 1.992 316 c HN 0.508 nan 8.230 nan 0.000 0.493 317 A N 0.531 123.393 122.820 0.070 0.000 1.930 317 A HA 0.102 4.422 4.320 0.000 0.000 0.217 317 A C 2.323 179.956 177.584 0.082 0.000 1.175 317 A CA 1.888 53.976 52.037 0.085 0.000 0.627 317 A CB -0.691 18.377 19.000 0.113 0.000 0.815 317 A HN 0.553 nan 8.150 nan 0.000 0.443 318 A N -0.709 122.154 122.820 0.071 0.000 1.968 318 A HA 0.096 4.416 4.320 0.000 0.000 0.217 318 A C 2.079 179.710 177.584 0.079 0.000 1.169 318 A CA 1.550 53.634 52.037 0.078 0.000 0.638 318 A CB -0.453 18.584 19.000 0.063 0.000 0.812 318 A HN 0.609 nan 8.150 nan 0.000 0.446 319 L N -0.576 120.666 121.223 0.033 0.000 2.023 319 L HA 0.081 4.421 4.340 0.000 0.000 0.205 319 L C 0.697 177.536 176.870 -0.051 0.000 1.073 319 L CA 1.539 56.392 54.840 0.021 0.000 0.745 319 L CB -0.321 41.691 42.059 -0.077 0.000 0.900 319 L HN 0.205 nan 8.230 nan 0.000 0.435 320 L N 2.524 123.629 121.223 -0.196 0.000 2.796 320 L HA 0.196 4.536 4.340 0.000 0.000 0.235 320 L C 0.109 177.037 176.870 0.095 0.000 1.344 320 L CA -0.077 54.535 54.840 -0.380 0.000 1.245 320 L CB -2.359 39.403 42.059 -0.495 0.000 1.556 320 L HN 0.501 nan 8.230 nan 0.000 0.423 321 N N -0.100 118.725 118.700 0.208 0.000 2.443 321 N HA -0.030 4.710 4.740 0.000 0.000 0.294 321 N C 1.279 176.942 175.510 0.255 0.000 1.289 321 N CA 0.109 53.293 53.050 0.223 0.000 0.966 321 N CB -0.039 38.538 38.487 0.149 0.000 1.122 321 N HN 0.408 nan 8.380 nan 0.000 0.569 322 H N -2.211 116.983 119.070 0.206 0.000 2.421 322 H HA 0.052 4.608 4.556 0.000 0.000 0.298 322 H C 1.045 176.493 175.328 0.200 0.000 1.087 322 H CA 1.688 57.836 56.048 0.166 0.000 1.330 322 H CB -0.184 29.659 29.762 0.134 0.000 1.388 322 H HN 0.687 nan 8.280 nan 0.000 0.526 323 E N 0.063 120.102 120.200 -0.268 0.000 2.106 323 E HA -0.121 4.229 4.350 0.000 0.000 0.192 323 E C 1.674 178.530 176.600 0.427 0.000 0.984 323 E CA 0.972 57.402 56.400 0.051 0.000 0.806 323 E CB -0.215 29.455 29.700 -0.050 0.000 0.750 323 E HN 0.549 nan 8.360 nan 0.000 0.458 324 F N 2.519 122.684 119.950 0.357 0.000 2.134 324 F HA -0.151 4.376 4.527 0.000 0.000 0.299 324 F C 1.850 177.679 175.800 0.048 0.000 1.097 324 F CA 1.526 59.670 58.000 0.240 0.000 1.264 324 F CB -0.068 38.932 39.000 0.000 0.000 1.001 324 F HN -0.109 nan 8.300 nan 0.000 0.479 325 E N 0.772 120.696 120.200 -0.460 0.000 2.031 325 E HA -0.249 4.101 4.350 0.000 0.000 0.193 325 E C 2.343 178.653 176.600 -0.483 0.000 0.994 325 E CA 1.589 57.405 56.400 -0.973 0.000 0.800 325 E CB -0.378 29.047 29.700 -0.458 0.000 0.752 325 E HN 0.556 nan 8.360 nan 0.000 0.447 326 R N 0.886 121.323 120.500 -0.106 0.000 2.096 326 R HA -0.085 4.255 4.340 0.000 0.000 0.235 326 R C 2.155 178.449 176.300 -0.011 0.000 1.127 326 R CA 1.333 57.434 56.100 0.002 0.000 0.968 326 R CB -0.639 29.721 30.300 0.098 0.000 0.861 326 R HN 0.018 nan 8.270 nan 0.000 0.440 327 V N 0.754 120.689 119.914 0.034 0.000 2.302 327 V HA -0.132 3.988 4.120 0.000 0.000 0.243 327 V C 2.104 178.115 176.094 -0.138 0.000 1.036 327 V CA 1.575 63.884 62.300 0.015 0.000 1.020 327 V CB -0.554 31.391 31.823 0.203 0.000 0.657 327 V HN 0.129 nan 8.190 nan 0.000 0.453 328 F N -1.266 118.527 119.950 -0.262 0.000 2.206 328 F HA -0.066 4.461 4.527 0.000 0.000 0.298 328 F C 2.341 178.099 175.800 -0.070 0.000 1.090 328 F CA 1.113 58.998 58.000 -0.193 0.000 1.323 328 F CB -0.578 38.254 39.000 -0.280 0.000 1.028 328 F HN 0.126 nan 8.300 nan 0.000 0.492 329 Y N 0.580 120.821 120.300 -0.099 0.000 2.263 329 Y HA -0.091 4.459 4.550 0.000 0.000 0.292 329 Y C 2.162 178.058 175.900 -0.006 0.000 1.130 329 Y CA 0.547 58.590 58.100 -0.096 0.000 1.179 329 Y CB -1.178 37.307 38.460 0.042 0.000 0.998 329 Y HN 0.063 nan 8.280 nan 0.000 0.532 330 K N -0.021 120.428 120.400 0.081 0.000 2.211 330 K HA -0.164 4.156 4.320 0.000 0.000 0.203 330 K C 1.833 178.399 176.600 -0.057 0.000 1.050 330 K CA 1.124 57.389 56.287 -0.037 0.000 0.945 330 K CB -0.165 32.252 32.500 -0.139 0.000 0.732 330 K HN 0.151 nan 8.250 nan 0.000 0.451 331 N N 1.535 120.157 118.700 -0.129 0.000 2.166 331 N HA -0.161 4.579 4.740 0.000 0.000 0.186 331 N C 1.144 176.407 175.510 -0.412 0.000 1.019 331 N CA 1.465 54.331 53.050 -0.306 0.000 0.856 331 N CB 0.030 38.343 38.487 -0.289 0.000 0.993 331 N HN 0.079 nan 8.380 nan 0.000 0.426 332 D N -0.655 119.676 120.400 -0.114 0.000 2.144 332 D HA -0.108 4.532 4.640 0.000 0.000 0.200 332 D C 1.395 177.698 176.300 0.005 0.000 0.978 332 D CA 0.756 54.777 54.000 0.035 0.000 0.833 332 D CB -0.361 40.337 40.800 -0.170 0.000 0.961 332 D HN 0.322 nan 8.370 nan 0.000 0.470 333 F N 1.423 121.284 119.950 -0.149 0.000 2.293 333 F HA -0.129 4.398 4.527 0.000 0.000 0.300 333 F C 2.582 178.361 175.800 -0.035 0.000 1.086 333 F CA 0.878 58.840 58.000 -0.063 0.000 1.375 333 F CB -0.512 38.365 39.000 -0.206 0.000 1.045 333 F HN -0.065 nan 8.300 nan 0.000 0.516 334 S N -0.545 115.085 115.700 -0.116 0.000 2.469 334 S HA -0.182 4.288 4.470 0.000 0.000 0.238 334 S C 1.562 176.005 174.600 -0.262 0.000 0.998 334 S CA 0.921 58.967 58.200 -0.256 0.000 0.957 334 S CB -0.947 61.976 63.200 -0.460 0.000 0.764 334 S HN 0.248 nan 8.310 nan 0.000 0.514 335 F N 1.735 121.703 119.950 0.031 0.000 2.765 335 F HA 0.454 4.981 4.527 0.000 0.000 0.302 335 F C 1.918 177.684 175.800 -0.058 0.000 1.111 335 F CA -0.696 57.285 58.000 -0.032 0.000 1.359 335 F CB -0.565 38.442 39.000 0.012 0.000 1.097 335 F HN 0.354 nan 8.300 nan 0.000 0.577 336 G N 1.078 109.951 108.800 0.121 0.000 2.182 336 G HA2 -0.244 3.716 3.960 0.000 0.000 0.248 336 G HA3 -0.244 3.716 3.960 0.000 0.000 0.248 336 G C 0.155 175.074 174.900 0.031 0.000 1.042 336 G CA 0.147 45.231 45.100 -0.026 0.000 0.775 336 G HN 0.295 nan 8.290 nan 0.000 0.501 337 V N 0.161 120.143 119.914 0.113 0.000 2.617 337 V HA 0.426 4.546 4.120 0.000 0.000 0.304 337 V C 1.393 177.348 176.094 -0.232 0.000 1.040 337 V CA 1.601 63.870 62.300 -0.052 0.000 1.149 337 V CB 1.006 32.662 31.823 -0.278 0.000 0.914 337 V HN 1.367 nan 8.190 nan 0.000 0.487 338 A N 6.493 129.199 122.820 -0.190 0.000 2.229 338 A HA 0.393 4.713 4.320 0.000 0.000 0.211 338 A C 0.312 177.815 177.584 -0.136 0.000 1.193 338 A CA 0.024 51.975 52.037 -0.144 0.000 0.879 338 A CB 0.208 19.169 19.000 -0.064 0.000 0.911 338 A HN 0.948 nan 8.150 nan 0.000 0.492 339 F N 0.019 119.769 119.950 -0.334 0.000 2.579 339 F HA 0.632 5.159 4.527 0.000 0.000 0.325 339 F C -1.545 174.013 175.800 -0.403 0.000 1.162 339 F CA -1.584 56.229 58.000 -0.311 0.000 0.946 339 F CB 1.835 40.690 39.000 -0.242 0.000 1.211 339 F HN -0.053 nan 8.300 nan 0.000 0.447 340 L N 6.572 127.288 121.223 -0.844 0.000 2.404 340 L HA 0.549 4.889 4.340 0.000 0.000 0.272 340 L C -1.743 174.761 176.870 -0.609 0.000 0.980 340 L CA -0.348 54.090 54.840 -0.670 0.000 0.836 340 L CB 1.501 43.040 42.059 -0.867 0.000 1.238 340 L HN 0.677 nan 8.230 nan 0.000 0.408 341 N N 4.641 123.173 118.700 -0.279 0.000 2.372 341 N HA 0.558 5.298 4.740 0.000 0.000 0.285 341 N C -1.622 173.951 175.510 0.104 0.000 1.008 341 N CA -0.427 52.582 53.050 -0.068 0.000 0.880 341 N CB 1.268 39.825 38.487 0.117 0.000 1.239 341 N HN 0.642 nan 8.380 nan 0.000 0.484 342 L N 3.188 124.520 121.223 0.181 0.000 2.276 342 L HA 0.348 4.688 4.340 0.000 0.000 0.286 342 L C -0.868 176.163 176.870 0.269 0.000 1.061 342 L CA -0.901 54.096 54.840 0.261 0.000 0.807 342 L CB 0.583 42.834 42.059 0.320 0.000 1.177 342 L HN 0.585 nan 8.230 nan 0.000 0.429 343 Y N 5.020 125.421 120.300 0.169 0.000 2.356 343 Y HA 0.495 5.045 4.550 0.000 0.000 0.334 343 Y C -0.370 175.618 175.900 0.148 0.000 0.958 343 Y CA -0.840 57.330 58.100 0.118 0.000 1.196 343 Y CB 0.925 39.520 38.460 0.225 0.000 1.137 343 Y HN 0.454 nan 8.280 nan 0.000 0.485 344 M N 5.835 125.348 119.600 -0.144 0.000 2.654 344 M HA 0.277 4.757 4.480 0.000 0.000 0.310 344 M C 0.266 176.522 176.300 -0.074 0.000 1.211 344 M CA -0.641 54.377 55.300 -0.470 0.000 0.947 344 M CB 1.666 33.736 32.600 -0.884 0.000 1.647 344 M HN 0.797 nan 8.290 nan 0.000 0.481 345 I N 0.224 120.763 120.570 -0.051 0.000 3.339 345 I HA 0.200 4.370 4.170 0.000 0.000 0.285 345 I C -0.593 175.593 176.117 0.115 0.000 1.201 345 I CA 0.777 62.124 61.300 0.079 0.000 1.434 345 I CB 0.477 38.532 38.000 0.092 0.000 1.152 345 I HN 0.463 nan 8.210 nan 0.000 0.443 346 F N -0.350 119.523 119.950 -0.128 0.000 2.617 346 F HA 0.584 5.111 4.527 0.000 0.000 0.325 346 F C 0.688 176.371 175.800 -0.196 0.000 1.179 346 F CA -0.703 57.227 58.000 -0.117 0.000 0.965 346 F CB 1.225 40.170 39.000 -0.090 0.000 1.232 346 F HN -0.143 nan 8.300 nan 0.000 0.461 347 G N 2.890 111.155 108.800 -0.892 0.000 2.437 347 G HA2 0.403 4.363 3.960 0.000 0.000 0.212 347 G HA3 0.403 4.363 3.960 0.000 0.000 0.212 347 G C 0.822 175.256 174.900 -0.777 0.000 1.174 347 G CA 0.573 45.212 45.100 -0.768 0.000 0.811 347 G HN 1.670 nan 8.290 nan 0.000 0.537 348 G N -1.276 106.849 108.800 -1.126 0.000 2.527 348 G HA2 0.044 4.004 3.960 0.000 0.000 0.227 348 G HA3 0.044 4.004 3.960 0.000 0.000 0.227 348 G C -0.338 174.526 174.900 -0.059 0.000 1.291 348 G CA 0.011 44.780 45.100 -0.551 0.000 0.904 348 G HN 0.958 nan 8.290 nan 0.000 0.577 349 T N 1.100 115.729 114.554 0.125 0.000 2.893 349 T HA 0.553 4.903 4.350 0.000 0.000 0.293 349 T C -0.176 174.635 174.700 0.184 0.000 1.027 349 T CA -0.717 61.503 62.100 0.199 0.000 0.988 349 T CB 1.505 70.554 68.868 0.302 0.000 1.043 349 T HN 0.564 nan 8.240 nan 0.000 0.461 350 N N 3.517 122.278 118.700 0.102 0.000 3.303 350 N HA 0.077 4.817 4.740 0.000 0.000 0.304 350 N C 0.346 175.828 175.510 -0.047 0.000 1.302 350 N CA -0.321 52.721 53.050 -0.014 0.000 1.213 350 N CB 0.237 38.709 38.487 -0.026 0.000 1.481 350 N HN 0.673 nan 8.380 nan 0.000 0.546 351 W N -0.312 120.904 121.300 -0.140 0.000 2.049 351 W HA 0.338 4.998 4.660 0.000 0.000 0.356 351 W C 0.701 177.186 176.519 -0.058 0.000 1.323 351 W CA -0.570 56.599 57.345 -0.293 0.000 1.336 351 W CB -0.126 28.868 29.460 -0.777 0.000 1.176 351 W HN 0.422 nan 8.180 nan 0.000 0.623 352 G N 2.917 111.779 108.800 0.102 0.000 2.390 352 G HA2 -0.403 3.557 3.960 0.000 0.000 0.299 352 G HA3 -0.403 3.557 3.960 0.000 0.000 0.299 352 G C 0.490 175.272 174.900 -0.197 0.000 1.002 352 G CA 0.634 45.717 45.100 -0.028 0.000 0.979 352 G HN 0.805 nan 8.290 nan 0.000 0.513 353 N N -2.579 116.063 118.700 -0.095 0.000 2.708 353 N HA -0.273 4.467 4.740 0.000 0.000 0.251 353 N C 1.505 176.929 175.510 -0.144 0.000 1.123 353 N CA 1.548 54.563 53.050 -0.058 0.000 0.739 353 N CB -1.373 37.110 38.487 -0.007 0.000 1.113 353 N HN 1.197 nan 8.380 nan 0.000 0.561 354 L N -2.101 118.957 121.223 -0.275 0.000 2.478 354 L HA 0.315 4.656 4.340 0.000 0.000 0.223 354 L C 1.282 178.031 176.870 -0.201 0.000 1.140 354 L CA 1.265 55.926 54.840 -0.299 0.000 0.842 354 L CB -0.328 41.469 42.059 -0.437 0.000 0.953 354 L HN 0.107 nan 8.230 nan 0.000 0.452 355 G N -0.640 108.094 108.800 -0.109 0.000 2.528 355 G HA2 0.410 4.370 3.960 0.000 0.000 0.289 355 G HA3 0.410 4.370 3.960 0.000 0.000 0.289 355 G C -0.778 174.165 174.900 0.070 0.000 1.192 355 G CA -0.089 44.986 45.100 -0.042 0.000 0.921 355 G HN 0.711 nan 8.290 nan 0.000 0.512 356 H N -1.217 117.803 119.070 -0.083 0.000 2.500 356 H HA 0.435 4.991 4.556 0.000 0.000 0.351 356 H C -1.984 173.378 175.328 0.058 0.000 1.281 356 H CA -1.878 54.142 56.048 -0.046 0.000 1.368 356 H CB 1.719 31.419 29.762 -0.102 0.000 1.616 356 H HN 0.150 nan 8.280 nan 0.000 0.591 357 P HA 0.006 nan 4.420 nan 0.000 0.230 357 P C 1.305 178.517 177.300 -0.146 0.000 1.158 357 P CA 1.414 64.511 63.100 -0.004 0.000 0.769 357 P CB -0.000 31.692 31.700 -0.014 0.000 0.807 358 G N -1.037 107.227 108.800 -0.893 0.000 2.848 358 G HA2 0.290 4.250 3.960 0.000 0.000 0.208 358 G HA3 0.290 4.250 3.960 0.000 0.000 0.208 358 G C 0.615 175.307 174.900 -0.347 0.000 1.152 358 G CA 0.362 45.004 45.100 -0.762 0.000 0.789 358 G HN 0.441 nan 8.290 nan 0.000 0.531 359 G N -1.238 107.453 108.800 -0.181 0.000 2.682 359 G HA2 0.551 4.511 3.960 0.000 0.000 0.290 359 G HA3 0.551 4.511 3.960 0.000 0.000 0.290 359 G C -0.797 173.959 174.900 -0.241 0.000 1.425 359 G CA -0.770 44.288 45.100 -0.071 0.000 0.807 359 G HN 0.139 nan 8.290 nan 0.000 0.482 360 Y N -2.265 117.738 120.300 -0.496 0.000 2.862 360 Y HA 0.703 5.253 4.550 0.000 0.000 0.347 360 Y C 2.012 177.813 175.900 -0.164 0.000 1.234 360 Y CA 0.096 57.709 58.100 -0.812 0.000 1.204 360 Y CB -0.351 37.172 38.460 -1.560 0.000 1.464 360 Y HN 0.403 nan 8.280 nan 0.000 0.710 361 T N -0.529 114.116 114.554 0.151 0.000 2.674 361 T HA -0.135 4.216 4.350 0.000 0.000 0.265 361 T C 0.902 175.717 174.700 0.192 0.000 1.039 361 T CA 1.616 63.866 62.100 0.249 0.000 1.150 361 T CB -0.514 68.643 68.868 0.481 0.000 0.864 361 T HN 0.551 nan 8.240 nan 0.000 0.427 362 S N 0.080 115.907 115.700 0.212 0.000 2.562 362 S HA 0.104 4.574 4.470 0.000 0.000 0.281 362 S C -0.500 174.172 174.600 0.120 0.000 1.333 362 S CA -0.469 57.846 58.200 0.191 0.000 1.052 362 S CB 0.143 63.543 63.200 0.333 0.000 0.884 362 S HN 0.427 nan 8.310 nan 0.000 0.506 363 Y N 2.954 123.131 120.300 -0.205 0.000 2.666 363 Y HA 0.252 4.802 4.550 0.000 0.000 0.264 363 Y C 0.887 176.425 175.900 -0.603 0.000 1.054 363 Y CA -0.917 56.976 58.100 -0.344 0.000 1.121 363 Y CB -0.135 38.229 38.460 -0.159 0.000 1.190 363 Y HN 0.900 nan 8.280 nan 0.000 0.587 364 D N -0.205 119.660 120.400 -0.892 0.000 2.158 364 D HA -0.318 4.322 4.640 0.000 0.000 0.197 364 D C 1.079 176.939 176.300 -0.735 0.000 0.995 364 D CA 2.394 55.981 54.000 -0.688 0.000 0.846 364 D CB -0.092 40.440 40.800 -0.447 0.000 0.941 364 D HN 0.430 nan 8.370 nan 0.000 0.456 365 Y N -1.668 117.701 120.300 -1.551 0.000 4.899 365 Y HA -0.355 4.195 4.550 0.000 0.000 0.241 365 Y C 1.209 176.980 175.900 -0.215 0.000 0.976 365 Y CA 1.673 59.314 58.100 -0.765 0.000 1.952 365 Y CB -1.273 36.777 38.460 -0.684 0.000 1.496 365 Y HN 0.246 nan 8.280 nan 0.000 0.545 366 G N 0.150 108.886 108.800 -0.107 0.000 2.179 366 G HA2 -0.269 3.691 3.960 0.000 0.000 0.257 366 G HA3 -0.269 3.691 3.960 0.000 0.000 0.257 366 G C 0.361 175.319 174.900 0.096 0.000 1.010 366 G CA 0.942 46.077 45.100 0.058 0.000 0.736 366 G HN 1.445 nan 8.290 nan 0.000 0.513 367 S N -0.996 114.764 115.700 0.101 0.000 2.624 367 S HA 0.743 5.213 4.470 0.000 0.000 0.263 367 S C 1.902 176.602 174.600 0.167 0.000 1.287 367 S CA 0.401 58.697 58.200 0.161 0.000 0.990 367 S CB 1.622 64.891 63.200 0.115 0.000 0.950 367 S HN 1.654 nan 8.310 nan 0.000 0.561 368 A N 0.904 123.845 122.820 0.201 0.000 1.917 368 A HA 0.052 4.373 4.320 0.000 0.000 0.219 368 A C 1.004 178.733 177.584 0.242 0.000 1.182 368 A CA 1.054 53.231 52.037 0.233 0.000 0.633 368 A CB -0.971 18.159 19.000 0.216 0.000 0.819 368 A HN 0.795 nan 8.150 nan 0.000 0.448 369 I N 1.096 121.800 120.570 0.224 0.000 2.312 369 I HA 0.190 4.360 4.170 0.000 0.000 0.290 369 I C 0.751 177.020 176.117 0.253 0.000 1.008 369 I CA -0.461 60.957 61.300 0.197 0.000 1.226 369 I CB 1.508 39.630 38.000 0.203 0.000 1.371 369 I HN 0.341 nan 8.210 nan 0.000 0.468 370 S N 4.024 119.843 115.700 0.198 0.000 2.596 370 S HA 0.039 4.509 4.470 0.000 0.000 0.260 370 S C 1.172 175.939 174.600 0.278 0.000 1.336 370 S CA -0.232 58.083 58.200 0.191 0.000 0.993 370 S CB 1.116 64.422 63.200 0.176 0.000 0.923 370 S HN 0.785 nan 8.310 nan 0.000 0.567 371 E N 0.577 120.877 120.200 0.168 0.000 2.160 371 E HA -0.180 4.170 4.350 0.000 0.000 0.195 371 E C 1.558 178.334 176.600 0.293 0.000 0.991 371 E CA 1.519 58.019 56.400 0.168 0.000 0.810 371 E CB -0.332 29.423 29.700 0.092 0.000 0.742 371 E HN 0.821 nan 8.360 nan 0.000 0.466 372 S N -0.530 115.307 115.700 0.228 0.000 2.671 372 S HA 0.165 4.635 4.470 0.000 0.000 0.220 372 S C 0.597 175.281 174.600 0.141 0.000 0.951 372 S CA 0.156 58.441 58.200 0.141 0.000 0.932 372 S CB 0.039 63.310 63.200 0.117 0.000 0.777 372 S HN 0.342 nan 8.310 nan 0.000 0.508 373 R N 0.052 120.667 120.500 0.192 0.000 3.892 373 R HA -0.165 4.175 4.340 0.000 0.000 0.441 373 R C -0.646 175.679 176.300 0.042 0.000 1.052 373 R CA 0.943 57.065 56.100 0.036 0.000 1.190 373 R CB -2.659 27.581 30.300 -0.101 0.000 1.808 373 R HN 0.828 nan 8.270 nan 0.000 0.538 374 N N 1.687 120.457 118.700 0.117 0.000 2.483 374 N HA 0.341 5.081 4.740 0.000 0.000 0.269 374 N C 0.567 176.084 175.510 0.011 0.000 1.209 374 N CA -0.475 52.659 53.050 0.139 0.000 0.969 374 N CB 0.525 39.135 38.487 0.205 0.000 1.173 374 N HN 0.336 nan 8.380 nan 0.000 0.475 375 I N -3.276 117.219 120.570 -0.124 0.000 2.998 375 I HA 0.314 4.484 4.170 0.000 0.000 0.338 375 I C 0.300 176.260 176.117 -0.262 0.000 1.413 375 I CA -0.644 60.401 61.300 -0.425 0.000 0.880 375 I CB 0.219 37.508 38.000 -1.185 0.000 2.051 375 I HN 0.663 nan 8.210 nan 0.000 0.561 376 T N -1.714 112.850 114.554 0.017 0.000 3.035 376 T HA 0.196 4.546 4.350 0.000 0.000 0.259 376 T C 1.108 175.835 174.700 0.045 0.000 1.078 376 T CA 0.100 62.251 62.100 0.085 0.000 1.132 376 T CB -0.135 68.816 68.868 0.139 0.000 0.900 376 T HN 0.436 nan 8.240 nan 0.000 0.480 377 R N 1.906 122.441 120.500 0.058 0.000 2.538 377 R HA 0.120 4.460 4.340 0.000 0.000 0.282 377 R C 1.462 177.785 176.300 0.039 0.000 1.009 377 R CA 0.074 56.219 56.100 0.076 0.000 1.063 377 R CB 0.405 30.773 30.300 0.115 0.000 0.945 377 R HN 0.473 nan 8.270 nan 0.000 0.414 378 E N 3.528 123.730 120.200 0.004 0.000 2.160 378 E HA -0.268 4.082 4.350 0.000 0.000 0.195 378 E C 1.250 177.780 176.600 -0.117 0.000 0.991 378 E CA 1.715 58.025 56.400 -0.150 0.000 0.810 378 E CB 0.201 29.784 29.700 -0.195 0.000 0.742 378 E HN 0.545 nan 8.360 nan 0.000 0.466 379 K N -0.470 119.983 120.400 0.088 0.000 2.211 379 K HA -0.238 4.082 4.320 0.000 0.000 0.204 379 K C 2.036 178.672 176.600 0.061 0.000 1.047 379 K CA 1.457 57.830 56.287 0.143 0.000 0.935 379 K CB -0.523 32.105 32.500 0.213 0.000 0.728 379 K HN 0.222 nan 8.250 nan 0.000 0.452 380 Y N 2.466 122.724 120.300 -0.069 0.000 2.163 380 Y HA -0.155 4.395 4.550 0.000 0.000 0.288 380 Y C 2.259 178.034 175.900 -0.209 0.000 1.136 380 Y CA 1.901 59.934 58.100 -0.111 0.000 1.147 380 Y CB -0.196 38.197 38.460 -0.113 0.000 0.987 380 Y HN 0.075 nan 8.280 nan 0.000 0.509 381 S N -0.005 115.589 115.700 -0.177 0.000 2.382 381 S HA -0.211 4.259 4.470 0.000 0.000 0.228 381 S C 1.825 176.172 174.600 -0.422 0.000 1.027 381 S CA 1.447 59.375 58.200 -0.453 0.000 0.991 381 S CB -0.392 62.254 63.200 -0.923 0.000 0.823 381 S HN 0.564 nan 8.310 nan 0.000 0.469 382 E N 1.702 121.700 120.200 -0.337 0.000 2.077 382 E HA -0.111 4.239 4.350 0.000 0.000 0.193 382 E C 1.897 178.503 176.600 0.011 0.000 0.989 382 E CA 0.810 57.217 56.400 0.011 0.000 0.800 382 E CB -0.569 29.215 29.700 0.140 0.000 0.746 382 E HN 0.342 nan 8.360 nan 0.000 0.452 383 L N 1.085 122.277 121.223 -0.052 0.000 2.083 383 L HA -0.076 4.264 4.340 0.000 0.000 0.209 383 L C 2.257 179.050 176.870 -0.127 0.000 1.083 383 L CA 2.073 56.902 54.840 -0.019 0.000 0.752 383 L CB -0.647 41.376 42.059 -0.060 0.000 0.899 383 L HN 0.161 nan 8.230 nan 0.000 0.433 384 K N -0.673 119.561 120.400 -0.276 0.000 2.103 384 K HA -0.174 4.146 4.320 0.000 0.000 0.207 384 K C 2.015 178.626 176.600 0.017 0.000 1.048 384 K CA 1.646 57.793 56.287 -0.235 0.000 0.930 384 K CB -0.183 32.111 32.500 -0.344 0.000 0.716 384 K HN 0.446 nan 8.250 nan 0.000 0.444 385 L N 0.527 121.790 121.223 0.067 0.000 2.017 385 L HA -0.196 4.144 4.340 0.000 0.000 0.208 385 L C 2.502 179.503 176.870 0.218 0.000 1.073 385 L CA 0.648 55.615 54.840 0.211 0.000 0.745 385 L CB -0.547 41.526 42.059 0.023 0.000 0.894 385 L HN 0.248 nan 8.230 nan 0.000 0.432 386 L N 0.386 121.698 121.223 0.148 0.000 2.072 386 L HA 0.005 4.345 4.340 0.000 0.000 0.205 386 L C 2.379 179.384 176.870 0.226 0.000 1.079 386 L CA 1.937 56.869 54.840 0.153 0.000 0.752 386 L CB -1.029 41.121 42.059 0.152 0.000 0.906 386 L HN 0.111 nan 8.230 nan 0.000 0.436 387 G N -0.619 108.240 108.800 0.097 0.000 2.418 387 G HA2 -0.296 3.664 3.960 0.000 0.000 0.217 387 G HA3 -0.296 3.664 3.960 0.000 0.000 0.217 387 G C 1.490 176.430 174.900 0.067 0.000 1.158 387 G CA 0.788 45.897 45.100 0.015 0.000 0.771 387 G HN 0.464 nan 8.290 nan 0.000 0.545 388 N N -0.151 118.542 118.700 -0.011 0.000 2.331 388 N HA -0.065 4.675 4.740 0.000 0.000 0.180 388 N C 1.860 177.289 175.510 -0.134 0.000 1.019 388 N CA 0.763 53.705 53.050 -0.180 0.000 0.881 388 N CB -0.174 37.993 38.487 -0.534 0.000 0.972 388 N HN 0.391 nan 8.380 nan 0.000 0.435 389 F N 2.104 121.992 119.950 -0.102 0.000 2.113 389 F HA -0.054 4.473 4.527 0.000 0.000 0.297 389 F C 2.284 178.093 175.800 0.016 0.000 1.103 389 F CA 1.375 59.358 58.000 -0.027 0.000 1.248 389 F CB -0.432 38.557 39.000 -0.018 0.000 0.999 389 F HN -0.046 nan 8.300 nan 0.000 0.475 390 A N 0.339 123.094 122.820 -0.108 0.000 1.933 390 A HA -0.217 4.103 4.320 0.000 0.000 0.218 390 A C 2.295 179.805 177.584 -0.123 0.000 1.175 390 A CA 1.725 53.675 52.037 -0.145 0.000 0.628 390 A CB -0.900 18.264 19.000 0.273 0.000 0.814 390 A HN 0.507 nan 8.150 nan 0.000 0.444 391 K N 0.046 120.399 120.400 -0.078 0.000 2.280 391 K HA -0.084 4.236 4.320 0.000 0.000 0.202 391 K C 1.091 177.584 176.600 -0.179 0.000 1.047 391 K CA 1.596 57.826 56.287 -0.095 0.000 0.942 391 K CB -0.125 32.321 32.500 -0.090 0.000 0.739 391 K HN 0.496 nan 8.250 nan 0.000 0.457 392 V N -2.561 117.207 119.914 -0.242 0.000 3.176 392 V HA 0.303 4.423 4.120 0.000 0.000 0.332 392 V C -0.260 175.822 176.094 -0.019 0.000 1.414 392 V CA -0.498 61.625 62.300 -0.296 0.000 1.133 392 V CB 0.997 32.440 31.823 -0.633 0.000 1.088 392 V HN 0.005 nan 8.190 nan 0.000 0.473 393 S N 3.239 118.878 115.700 -0.102 0.000 2.078 393 S HA 0.404 4.874 4.470 0.000 0.000 0.168 393 S C -1.412 173.181 174.600 -0.011 0.000 1.542 393 S CA -0.561 57.614 58.200 -0.042 0.000 1.223 393 S CB 1.092 64.112 63.200 -0.299 0.000 1.152 393 S HN 0.526 nan 8.310 nan 0.000 0.452 394 P HA -0.074 nan 4.420 nan 0.000 0.220 394 P C 1.632 178.936 177.300 0.007 0.000 1.148 394 P CA 0.870 63.967 63.100 -0.005 0.000 0.803 394 P CB -0.087 31.608 31.700 -0.009 0.000 0.782 395 G N -0.622 108.214 108.800 0.060 0.000 2.470 395 G HA2 -0.299 3.661 3.960 0.000 0.000 0.220 395 G HA3 -0.299 3.661 3.960 0.000 0.000 0.220 395 G C 1.539 176.546 174.900 0.178 0.000 1.121 395 G CA 0.432 45.611 45.100 0.131 0.000 0.766 395 G HN 0.254 nan 8.290 nan 0.000 0.553 396 Y N 1.107 121.329 120.300 -0.129 0.000 2.224 396 Y HA 0.013 4.563 4.550 0.000 0.000 0.289 396 Y C 2.389 178.143 175.900 -0.243 0.000 1.146 396 Y CA 1.097 58.885 58.100 -0.519 0.000 1.182 396 Y CB -0.215 37.844 38.460 -0.668 0.000 0.983 396 Y HN 0.116 nan 8.280 nan 0.000 0.524 397 L N 0.041 121.064 121.223 -0.333 0.000 2.191 397 L HA -0.128 4.212 4.340 0.000 0.000 0.212 397 L C 1.896 178.560 176.870 -0.343 0.000 1.103 397 L CA 1.271 55.888 54.840 -0.372 0.000 0.769 397 L CB -0.508 41.432 42.059 -0.197 0.000 0.908 397 L HN 0.359 nan 8.230 nan 0.000 0.438 398 V N -4.091 115.627 119.914 -0.326 0.000 3.376 398 V HA 0.452 4.572 4.120 0.000 0.000 0.313 398 V C 0.889 176.775 176.094 -0.347 0.000 1.393 398 V CA -0.285 61.720 62.300 -0.493 0.000 1.125 398 V CB -0.632 30.993 31.823 -0.331 0.000 1.037 398 V HN 0.140 nan 8.190 nan 0.000 0.440 399 A N 1.399 124.096 122.820 -0.204 0.000 2.322 399 A HA 0.590 4.910 4.320 0.000 0.000 0.269 399 A C 0.104 177.664 177.584 -0.039 0.000 1.094 399 A CA -0.516 51.486 52.037 -0.059 0.000 0.807 399 A CB 0.148 19.182 19.000 0.058 0.000 1.047 399 A HN 0.501 nan 8.150 nan 0.000 0.487 400 N N 1.960 120.671 118.700 0.019 0.000 2.457 400 N HA 0.343 5.083 4.740 0.000 0.000 0.250 400 N C -2.907 172.583 175.510 -0.033 0.000 0.982 400 N CA -1.110 51.974 53.050 0.056 0.000 0.941 400 N CB 1.186 39.734 38.487 0.102 0.000 1.120 400 N HN 0.287 nan 8.380 nan 0.000 0.505 401 P HA 0.081 nan 4.420 nan 0.000 0.265 401 P C 0.350 177.495 177.300 -0.258 0.000 1.193 401 P CA 0.037 62.959 63.100 -0.297 0.000 0.765 401 P CB 0.770 32.113 31.700 -0.594 0.000 0.823 402 G N 1.678 110.406 108.800 -0.119 0.000 3.107 402 G HA2 0.327 4.287 3.960 0.000 0.000 0.232 402 G HA3 0.327 4.287 3.960 0.000 0.000 0.232 402 G C -1.087 173.872 174.900 0.098 0.000 1.339 402 G CA -0.533 44.589 45.100 0.037 0.000 1.033 402 G HN 0.312 nan 8.290 nan 0.000 0.567 403 D N 0.510 121.007 120.400 0.162 0.000 2.255 403 D HA 0.354 4.994 4.640 0.000 0.000 0.249 403 D C 0.527 176.935 176.300 0.181 0.000 1.078 403 D CA -0.194 53.913 54.000 0.178 0.000 0.896 403 D CB 1.916 42.816 40.800 0.166 0.000 1.194 403 D HN 0.318 nan 8.370 nan 0.000 0.429 404 L N 0.033 121.353 121.223 0.160 0.000 2.473 404 L HA 0.486 4.826 4.340 0.000 0.000 0.268 404 L C 0.237 177.207 176.870 0.167 0.000 1.215 404 L CA 0.132 55.063 54.840 0.152 0.000 0.823 404 L CB 0.523 42.648 42.059 0.109 0.000 1.099 404 L HN 0.199 nan 8.230 nan 0.000 0.483 405 S N -0.905 114.908 115.700 0.188 0.000 2.550 405 S HA 0.636 5.106 4.470 0.000 0.000 0.270 405 S C 0.212 174.882 174.600 0.117 0.000 1.145 405 S CA 0.022 58.308 58.200 0.143 0.000 0.852 405 S CB 1.486 64.763 63.200 0.128 0.000 1.119 405 S HN 1.081 nan 8.310 nan 0.000 0.465 406 T N -0.360 114.233 114.554 0.066 0.000 3.085 406 T HA 0.291 4.641 4.350 0.000 0.000 0.264 406 T C 0.994 175.708 174.700 0.023 0.000 1.019 406 T CA 0.572 62.700 62.100 0.047 0.000 0.910 406 T CB -0.135 68.757 68.868 0.040 0.000 1.059 406 T HN 0.720 nan 8.240 nan 0.000 0.542 407 S N -0.794 114.906 115.700 0.000 0.000 2.692 407 S HA 0.101 4.571 4.470 0.000 0.000 0.269 407 S C 1.645 176.186 174.600 -0.098 0.000 1.080 407 S CA 0.187 58.368 58.200 -0.032 0.000 1.058 407 S CB -0.280 62.904 63.200 -0.028 0.000 0.982 407 S HN 0.250 nan 8.310 nan 0.000 0.534 408 T N 1.336 115.770 114.554 -0.200 0.000 2.857 408 T HA 0.098 4.448 4.350 0.000 0.000 0.266 408 T C 0.661 175.010 174.700 -0.585 0.000 1.048 408 T CA 1.361 63.182 62.100 -0.464 0.000 1.139 408 T CB -0.350 68.058 68.868 -0.766 0.000 0.874 408 T HN 0.573 nan 8.240 nan 0.000 0.455 409 Y N 1.239 121.555 120.300 0.027 0.000 2.444 409 Y HA 0.333 4.883 4.550 0.000 0.000 0.249 409 Y C 1.324 177.221 175.900 -0.004 0.000 1.134 409 Y CA -0.621 57.477 58.100 -0.004 0.000 1.261 409 Y CB 0.251 38.730 38.460 0.033 0.000 1.143 409 Y HN 0.192 nan 8.280 nan 0.000 0.523 410 T N -2.656 111.962 114.554 0.107 0.000 2.812 410 T HA 0.226 4.576 4.350 0.000 0.000 0.294 410 T C 0.156 174.893 174.700 0.061 0.000 1.159 410 T CA -0.846 61.322 62.100 0.113 0.000 1.008 410 T CB 1.378 70.316 68.868 0.117 0.000 1.289 410 T HN 0.099 nan 8.240 nan 0.000 0.514 411 N N -0.035 118.711 118.700 0.077 0.000 2.313 411 N HA 0.186 4.926 4.740 0.000 0.000 0.207 411 N C -0.111 175.424 175.510 0.042 0.000 1.141 411 N CA -0.264 52.811 53.050 0.042 0.000 0.830 411 N CB 0.376 38.882 38.487 0.032 0.000 1.008 411 N HN 0.731 nan 8.380 nan 0.000 0.481 412 T N -1.581 113.000 114.554 0.045 0.000 3.032 412 T HA 0.585 4.935 4.350 0.000 0.000 0.312 412 T C 0.165 174.874 174.700 0.016 0.000 1.078 412 T CA -0.328 61.791 62.100 0.032 0.000 1.028 412 T CB 1.252 70.148 68.868 0.046 0.000 1.091 412 T HN 0.095 nan 8.240 nan 0.000 0.457 413 A N 2.893 125.724 122.820 0.018 0.000 2.209 413 A HA 0.117 4.438 4.320 0.000 0.000 0.212 413 A C 1.600 179.198 177.584 0.022 0.000 1.158 413 A CA 0.923 52.972 52.037 0.019 0.000 0.742 413 A CB -0.300 18.713 19.000 0.021 0.000 0.790 413 A HN 0.859 nan 8.150 nan 0.000 0.472 414 D N -0.300 120.113 120.400 0.022 0.000 2.371 414 D HA 0.080 4.720 4.640 0.000 0.000 0.221 414 D C 0.311 176.624 176.300 0.021 0.000 0.986 414 D CA 0.700 54.724 54.000 0.039 0.000 0.899 414 D CB 0.110 40.945 40.800 0.058 0.000 0.902 414 D HN 0.400 nan 8.370 nan 0.000 0.530 415 L N -0.245 120.954 121.223 -0.040 0.000 2.354 415 L HA 0.376 4.716 4.340 0.000 0.000 0.269 415 L C -0.006 176.831 176.870 -0.055 0.000 1.005 415 L CA -0.498 54.272 54.840 -0.117 0.000 0.819 415 L CB 2.462 44.347 42.059 -0.290 0.000 1.311 415 L HN -0.370 nan 8.230 nan 0.000 0.423 416 T N 1.670 116.194 114.554 -0.050 0.000 2.829 416 T HA 0.612 4.962 4.350 0.000 0.000 0.280 416 T C -0.576 174.127 174.700 0.005 0.000 0.999 416 T CA -0.403 61.701 62.100 0.007 0.000 0.983 416 T CB 2.148 71.029 68.868 0.022 0.000 0.968 416 T HN 0.195 nan 8.240 nan 0.000 0.446 417 V N 3.134 123.102 119.914 0.090 0.000 2.588 417 V HA 0.540 4.660 4.120 0.000 0.000 0.304 417 V C -0.148 176.019 176.094 0.121 0.000 1.042 417 V CA -0.753 61.613 62.300 0.110 0.000 0.877 417 V CB 2.274 34.229 31.823 0.220 0.000 0.996 417 V HN 0.978 nan 8.190 nan 0.000 0.425 418 T N 7.388 121.954 114.554 0.020 0.000 2.770 418 T HA 0.501 4.851 4.350 0.000 0.000 0.283 418 T C -2.752 171.887 174.700 -0.102 0.000 0.988 418 T CA -1.115 60.977 62.100 -0.012 0.000 0.957 418 T CB 1.997 70.819 68.868 -0.077 0.000 0.930 418 T HN 0.499 nan 8.240 nan 0.000 0.443 419 P HA 0.581 nan 4.420 nan 0.000 0.287 419 P C -1.354 175.786 177.300 -0.268 0.000 1.270 419 P CA -0.878 61.993 63.100 -0.381 0.000 0.844 419 P CB 1.396 32.881 31.700 -0.359 0.000 1.068 420 L N 2.728 123.746 121.223 -0.340 0.000 2.454 420 L HA 0.378 4.718 4.340 0.000 0.000 0.258 420 L C 0.124 176.914 176.870 -0.132 0.000 1.025 420 L CA -0.103 54.657 54.840 -0.133 0.000 0.901 420 L CB 0.978 43.045 42.059 0.015 0.000 1.210 420 L HN 0.203 nan 8.230 nan 0.000 0.457 421 L N 1.851 123.019 121.223 -0.092 0.000 2.350 421 L HA 0.577 4.917 4.340 0.000 0.000 0.275 421 L C 1.208 178.095 176.870 0.028 0.000 1.099 421 L CA -0.452 54.368 54.840 -0.032 0.000 0.808 421 L CB 0.870 42.948 42.059 0.032 0.000 1.149 421 L HN 0.632 nan 8.230 nan 0.000 0.442 422 G N 1.084 109.910 108.800 0.043 0.000 2.544 422 G HA2 0.133 4.093 3.960 0.000 0.000 0.242 422 G HA3 0.133 4.093 3.960 0.000 0.000 0.242 422 G C 0.794 175.718 174.900 0.041 0.000 1.247 422 G CA -0.420 44.708 45.100 0.046 0.000 0.840 422 G HN 0.743 nan 8.290 nan 0.000 0.578 423 S N 0.830 116.545 115.700 0.025 0.000 2.370 423 S HA -0.130 4.340 4.470 0.000 0.000 0.226 423 S C 1.129 175.752 174.600 0.039 0.000 1.033 423 S CA 1.758 59.977 58.200 0.031 0.000 1.011 423 S CB -0.290 62.918 63.200 0.013 0.000 0.852 423 S HN 0.919 nan 8.310 nan 0.000 0.457 424 N N -0.670 118.050 118.700 0.034 0.000 2.577 424 N HA 0.356 5.096 4.740 0.000 0.000 0.285 424 N C 0.640 176.175 175.510 0.041 0.000 1.309 424 N CA -0.098 52.974 53.050 0.037 0.000 0.798 424 N CB 0.685 39.189 38.487 0.028 0.000 1.463 424 N HN -0.054 nan 8.380 nan 0.000 0.518 425 S N -0.770 114.955 115.700 0.042 0.000 2.423 425 S HA -0.269 4.201 4.470 0.000 0.000 0.238 425 S C 1.372 175.998 174.600 0.043 0.000 1.028 425 S CA 1.584 59.813 58.200 0.047 0.000 1.000 425 S CB -1.053 62.172 63.200 0.042 0.000 0.797 425 S HN 0.775 nan 8.310 nan 0.000 0.487 426 S N 0.963 116.682 115.700 0.031 0.000 2.535 426 S HA 0.616 5.087 4.470 0.000 0.000 0.214 426 S C 0.723 175.332 174.600 0.015 0.000 0.980 426 S CA -0.071 58.142 58.200 0.023 0.000 0.907 426 S CB -0.312 62.896 63.200 0.013 0.000 0.790 426 S HN 0.787 nan 8.310 nan 0.000 0.510 427 A N 2.605 125.437 122.820 0.020 0.000 2.407 427 A HA 0.584 4.904 4.320 0.000 0.000 0.248 427 A C 0.716 178.309 177.584 0.015 0.000 1.082 427 A CA -0.121 51.925 52.037 0.014 0.000 0.785 427 A CB 0.037 19.049 19.000 0.020 0.000 1.020 427 A HN 0.753 nan 8.150 nan 0.000 0.489 428 S N 1.676 117.375 115.700 -0.001 0.000 2.572 428 S HA 0.490 4.960 4.470 0.000 0.000 0.279 428 S C 0.214 174.773 174.600 -0.069 0.000 1.341 428 S CA -0.154 58.009 58.200 -0.062 0.000 1.043 428 S CB 0.611 63.748 63.200 -0.104 0.000 0.887 428 S HN 0.720 nan 8.310 nan 0.000 0.516 429 S N 0.932 116.501 115.700 -0.219 0.000 2.599 429 S HA 0.813 5.283 4.470 0.000 0.000 0.294 429 S C -1.334 172.921 174.600 -0.575 0.000 1.094 429 S CA -0.633 57.440 58.200 -0.211 0.000 0.931 429 S CB 0.677 63.836 63.200 -0.067 0.000 1.093 429 S HN 0.629 nan 8.310 nan 0.000 0.488 430 F N 1.091 120.859 119.950 -0.304 0.000 2.556 430 F HA 0.629 5.156 4.527 0.000 0.000 0.314 430 F C -1.079 174.356 175.800 -0.608 0.000 1.106 430 F CA -0.856 57.046 58.000 -0.163 0.000 0.911 430 F CB 1.232 40.294 39.000 0.104 0.000 1.190 430 F HN 0.383 nan 8.300 nan 0.000 0.448 431 F N 2.234 122.264 119.950 0.133 0.000 2.496 431 F HA 0.535 5.063 4.527 0.000 0.000 0.341 431 F C -0.533 175.233 175.800 -0.057 0.000 1.134 431 F CA -1.166 56.825 58.000 -0.016 0.000 0.968 431 F CB 1.535 40.497 39.000 -0.064 0.000 1.205 431 F HN 0.038 nan 8.300 nan 0.000 0.436 432 V N 5.400 125.321 119.914 0.011 0.000 2.408 432 V HA 0.317 4.438 4.120 0.000 0.000 0.267 432 V C 0.122 176.159 176.094 -0.096 0.000 1.047 432 V CA -0.474 61.776 62.300 -0.084 0.000 0.937 432 V CB 1.252 33.010 31.823 -0.110 0.000 0.999 432 V HN 0.704 nan 8.190 nan 0.000 0.472 433 I N 6.532 127.000 120.570 -0.170 0.000 2.530 433 I HA 0.814 4.984 4.170 0.000 0.000 0.297 433 I C -0.069 175.929 176.117 -0.198 0.000 1.011 433 I CA -0.604 60.593 61.300 -0.171 0.000 1.107 433 I CB 1.352 39.231 38.000 -0.200 0.000 1.285 433 I HN 0.890 nan 8.210 nan 0.000 0.436 434 R N 4.393 124.780 120.500 -0.189 0.000 2.747 434 R HA 0.461 4.801 4.340 0.000 0.000 0.272 434 R C -1.348 174.837 176.300 -0.192 0.000 1.032 434 R CA -0.971 55.026 56.100 -0.171 0.000 0.896 434 R CB 0.783 31.042 30.300 -0.068 0.000 1.253 434 R HN 0.475 nan 8.270 nan 0.000 0.461 435 H N 0.459 119.514 119.070 -0.025 0.000 2.732 435 H HA 0.099 4.656 4.556 0.000 0.000 0.351 435 H C 0.497 175.836 175.328 0.017 0.000 1.090 435 H CA 0.475 56.513 56.048 -0.017 0.000 1.431 435 H CB 1.722 31.481 29.762 -0.005 0.000 1.447 435 H HN 0.633 nan 8.280 nan 0.000 0.582 436 S N 1.062 116.836 115.700 0.122 0.000 2.383 436 S HA -0.145 4.325 4.470 0.000 0.000 0.229 436 S C 0.855 175.537 174.600 0.137 0.000 1.030 436 S CA 1.125 59.384 58.200 0.099 0.000 1.002 436 S CB 0.018 63.262 63.200 0.073 0.000 0.829 436 S HN 0.608 nan 8.310 nan 0.000 0.467 437 D N 0.551 121.036 120.400 0.141 0.000 2.456 437 D HA 0.103 4.743 4.640 0.000 0.000 0.219 437 D C 0.840 177.226 176.300 0.143 0.000 1.126 437 D CA -0.760 53.320 54.000 0.133 0.000 0.890 437 D CB 0.348 41.179 40.800 0.053 0.000 1.025 437 D HN 0.390 nan 8.370 nan 0.000 0.511 438 Y N 2.667 123.035 120.300 0.114 0.000 2.365 438 Y HA -0.221 4.329 4.550 0.000 0.000 0.287 438 Y C 1.672 177.751 175.900 0.298 0.000 1.162 438 Y CA 1.572 59.763 58.100 0.151 0.000 1.260 438 Y CB -0.668 37.809 38.460 0.030 0.000 0.976 438 Y HN 0.264 nan 8.280 nan 0.000 0.548 439 S N -0.860 114.496 115.700 -0.573 0.000 2.548 439 S HA 0.100 4.570 4.470 0.000 0.000 0.215 439 S C 0.975 175.393 174.600 -0.303 0.000 0.976 439 S CA -0.029 57.917 58.200 -0.424 0.000 0.908 439 S CB -0.662 62.289 63.200 -0.415 0.000 0.781 439 S HN 0.424 nan 8.310 nan 0.000 0.519 440 S N 1.461 117.012 115.700 -0.247 0.000 2.563 440 S HA 0.061 4.531 4.470 0.000 0.000 0.294 440 S C 0.799 175.145 174.600 -0.423 0.000 1.279 440 S CA -0.188 57.817 58.200 -0.325 0.000 1.069 440 S CB 0.334 63.306 63.200 -0.381 0.000 0.828 440 S HN 0.494 nan 8.310 nan 0.000 0.497 441 Q N 2.178 121.775 119.800 -0.338 0.000 2.220 441 Q HA 0.281 4.621 4.340 0.000 0.000 0.205 441 Q C 0.473 176.333 176.000 -0.235 0.000 0.865 441 Q CA -0.051 55.583 55.803 -0.281 0.000 0.960 441 Q CB 0.579 29.182 28.738 -0.224 0.000 1.097 441 Q HN 0.753 nan 8.270 nan 0.000 0.493 442 A N 0.852 123.491 122.820 -0.302 0.000 2.332 442 A HA 0.374 4.694 4.320 0.000 0.000 0.258 442 A C 0.015 177.548 177.584 -0.085 0.000 1.087 442 A CA -0.148 51.784 52.037 -0.176 0.000 0.802 442 A CB 0.827 19.742 19.000 -0.142 0.000 1.042 442 A HN 0.064 nan 8.150 nan 0.000 0.489 443 S N 0.315 116.027 115.700 0.021 0.000 2.429 443 S HA 0.549 5.019 4.470 0.000 0.000 0.302 443 S C -0.745 173.932 174.600 0.128 0.000 1.115 443 S CA -0.478 57.783 58.200 0.102 0.000 1.095 443 S CB 0.202 63.436 63.200 0.056 0.000 0.987 443 S HN 0.657 nan 8.310 nan 0.000 0.474 444 V N 5.446 125.479 119.914 0.198 0.000 2.555 444 V HA 0.508 4.628 4.120 0.000 0.000 0.302 444 V C -0.268 175.945 176.094 0.199 0.000 1.038 444 V CA -0.893 61.506 62.300 0.165 0.000 0.887 444 V CB 1.920 33.841 31.823 0.162 0.000 0.991 444 V HN 0.781 nan 8.190 nan 0.000 0.434 445 E N 3.841 124.137 120.200 0.159 0.000 2.277 445 E HA 0.583 4.933 4.350 0.000 0.000 0.274 445 E C -1.192 175.558 176.600 0.250 0.000 1.022 445 E CA -0.154 56.334 56.400 0.145 0.000 0.853 445 E CB 2.198 31.920 29.700 0.037 0.000 1.086 445 E HN 0.704 nan 8.360 nan 0.000 0.397 446 Y N -1.565 118.713 120.300 -0.037 0.000 2.779 446 Y HA 0.546 5.096 4.550 0.000 0.000 0.340 446 Y C -1.396 174.472 175.900 -0.053 0.000 1.252 446 Y CA -1.295 56.784 58.100 -0.035 0.000 1.072 446 Y CB 1.095 39.543 38.460 -0.021 0.000 1.343 446 Y HN 0.192 nan 8.280 nan 0.000 0.450 447 K N 1.390 121.784 120.400 -0.010 0.000 2.422 447 K HA 0.600 4.920 4.320 0.000 0.000 0.251 447 K C -1.979 174.632 176.600 0.018 0.000 0.933 447 K CA -1.013 55.199 56.287 -0.126 0.000 0.798 447 K CB 2.951 35.398 32.500 -0.089 0.000 1.238 447 K HN 0.665 nan 8.250 nan 0.000 0.428 448 L N 2.293 123.467 121.223 -0.082 0.000 2.289 448 L HA 0.340 4.680 4.340 0.000 0.000 0.285 448 L C -0.487 176.319 176.870 -0.107 0.000 1.049 448 L CA 0.299 55.117 54.840 -0.037 0.000 0.804 448 L CB 1.260 43.232 42.059 -0.144 0.000 1.195 448 L HN 0.721 nan 8.230 nan 0.000 0.428 449 T N 3.347 117.869 114.554 -0.053 0.000 2.977 449 T HA 0.658 5.008 4.350 0.000 0.000 0.346 449 T C -0.449 174.224 174.700 -0.045 0.000 1.140 449 T CA -0.538 61.520 62.100 -0.070 0.000 1.040 449 T CB 0.404 69.244 68.868 -0.046 0.000 1.046 449 T HN 0.553 nan 8.240 nan 0.000 0.494 450 V N 0.042 119.868 119.914 -0.146 0.000 3.040 450 V HA 0.910 5.030 4.120 0.000 0.000 0.312 450 V C -2.963 173.085 176.094 -0.077 0.000 1.115 450 V CA -3.099 59.086 62.300 -0.192 0.000 0.998 450 V CB 2.247 33.618 31.823 -0.753 0.000 1.042 450 V HN 0.565 nan 8.190 nan 0.000 0.433 451 P HA 0.478 nan 4.420 nan 0.000 0.284 451 P C -0.529 176.845 177.300 0.124 0.000 1.253 451 P CA 0.238 63.407 63.100 0.115 0.000 0.800 451 P CB 1.587 33.405 31.700 0.196 0.000 0.961 452 T N -2.656 111.955 114.554 0.095 0.000 2.787 452 T HA 0.279 4.629 4.350 0.000 0.000 0.297 452 T C 1.202 175.952 174.700 0.085 0.000 1.221 452 T CA -0.190 61.972 62.100 0.104 0.000 1.006 452 T CB 0.530 69.463 68.868 0.107 0.000 1.328 452 T HN 0.262 nan 8.240 nan 0.000 0.509 453 S N -0.099 115.647 115.700 0.078 0.000 2.469 453 S HA 0.062 4.532 4.470 0.000 0.000 0.238 453 S C 1.729 176.360 174.600 0.052 0.000 0.998 453 S CA 0.569 58.804 58.200 0.059 0.000 0.957 453 S CB -0.754 62.474 63.200 0.047 0.000 0.764 453 S HN 1.223 nan 8.310 nan 0.000 0.514 454 A N 0.598 123.454 122.820 0.060 0.000 2.423 454 A HA 0.670 4.990 4.320 0.000 0.000 0.246 454 A C 1.111 178.722 177.584 0.044 0.000 1.278 454 A CA 0.109 52.177 52.037 0.052 0.000 0.903 454 A CB -0.649 18.388 19.000 0.063 0.000 0.997 454 A HN 1.475 nan 8.150 nan 0.000 0.510 455 G N -0.117 108.710 108.800 0.045 0.000 2.566 455 G HA2 -0.117 3.843 3.960 0.000 0.000 0.599 455 G HA3 -0.117 3.843 3.960 0.000 0.000 0.599 455 G C -1.064 173.853 174.900 0.029 0.000 1.292 455 G CA -0.752 44.369 45.100 0.035 0.000 0.922 455 G HN 0.281 nan 8.290 nan 0.000 0.514 456 N N 0.554 119.265 118.700 0.018 0.000 2.420 456 N HA 0.469 5.209 4.740 0.000 0.000 0.262 456 N C 0.352 175.845 175.510 -0.028 0.000 1.144 456 N CA 0.153 53.204 53.050 0.001 0.000 0.952 456 N CB 0.709 39.198 38.487 0.003 0.000 1.081 456 N HN 0.549 nan 8.380 nan 0.000 0.480 457 L N 0.898 122.083 121.223 -0.064 0.000 2.334 457 L HA 0.524 4.864 4.340 0.000 0.000 0.270 457 L C 0.473 177.256 176.870 -0.145 0.000 1.018 457 L CA -0.748 54.028 54.840 -0.107 0.000 0.811 457 L CB 1.522 43.486 42.059 -0.158 0.000 1.271 457 L HN 0.243 nan 8.230 nan 0.000 0.443 458 T N 2.616 117.083 114.554 -0.144 0.000 2.842 458 T HA 0.581 4.931 4.350 0.000 0.000 0.308 458 T C -0.252 174.333 174.700 -0.191 0.000 1.041 458 T CA -0.216 61.798 62.100 -0.143 0.000 0.964 458 T CB 0.400 69.213 68.868 -0.093 0.000 0.972 458 T HN 0.237 nan 8.240 nan 0.000 0.460 459 I N 4.853 125.267 120.570 -0.260 0.000 2.460 459 I HA 0.383 4.553 4.170 0.000 0.000 0.298 459 I C -2.339 173.637 176.117 -0.235 0.000 0.989 459 I CA -2.998 58.118 61.300 -0.306 0.000 1.173 459 I CB 1.987 39.677 38.000 -0.516 0.000 1.338 459 I HN 0.270 nan 8.210 nan 0.000 0.456 460 P HA 0.123 nan 4.420 nan 0.000 0.271 460 P C -0.251 177.008 177.300 -0.068 0.000 1.226 460 P CA -0.176 62.870 63.100 -0.090 0.000 0.765 460 P CB 0.602 32.298 31.700 -0.007 0.000 0.835 461 Q N 1.924 121.704 119.800 -0.033 0.000 2.230 461 Q HA -0.016 4.324 4.340 0.000 0.000 0.202 461 Q C 1.190 177.189 176.000 -0.002 0.000 0.963 461 Q CA 1.125 56.919 55.803 -0.016 0.000 0.866 461 Q CB -0.152 28.605 28.738 0.031 0.000 0.931 461 Q HN 0.532 nan 8.270 nan 0.000 0.452 462 L N -0.359 120.874 121.223 0.017 0.000 2.592 462 L HA 0.243 4.583 4.340 0.000 0.000 0.227 462 L C 0.702 177.567 176.870 -0.009 0.000 1.127 462 L CA 0.034 54.880 54.840 0.010 0.000 0.884 462 L CB -0.020 42.055 42.059 0.026 0.000 1.065 462 L HN 0.191 nan 8.230 nan 0.000 0.457 463 G N -0.942 107.841 108.800 -0.028 0.000 2.497 463 G HA2 0.320 4.280 3.960 0.000 0.000 0.686 463 G HA3 0.320 4.280 3.960 0.000 0.000 0.686 463 G C -0.142 174.679 174.900 -0.132 0.000 1.288 463 G CA -0.531 44.526 45.100 -0.071 0.000 0.899 463 G HN 0.551 nan 8.290 nan 0.000 0.608 464 G N -1.122 107.567 108.800 -0.185 0.000 2.728 464 G HA2 0.458 4.418 3.960 0.000 0.000 0.294 464 G HA3 0.458 4.418 3.960 0.000 0.000 0.294 464 G C -0.025 174.733 174.900 -0.237 0.000 1.342 464 G CA 0.545 45.465 45.100 -0.299 0.000 0.866 464 G HN 2.196 nan 8.290 nan 0.000 0.534 465 S N -1.102 114.438 115.700 -0.266 0.000 2.599 465 S HA 0.778 5.248 4.470 0.000 0.000 0.287 465 S C 0.132 174.574 174.600 -0.264 0.000 1.105 465 S CA -0.730 57.330 58.200 -0.234 0.000 0.899 465 S CB 1.672 64.761 63.200 -0.185 0.000 1.100 465 S HN 0.726 nan 8.310 nan 0.000 0.482 466 L N 1.303 122.252 121.223 -0.456 0.000 2.416 466 L HA 0.634 4.974 4.340 0.000 0.000 0.262 466 L C -0.053 176.577 176.870 -0.399 0.000 1.093 466 L CA -0.415 54.075 54.840 -0.584 0.000 0.801 466 L CB 1.289 42.730 42.059 -1.030 0.000 1.191 466 L HN 0.525 nan 8.230 nan 0.000 0.459 467 T N 2.168 116.626 114.554 -0.160 0.000 2.886 467 T HA 0.507 4.857 4.350 0.000 0.000 0.292 467 T C -1.109 173.726 174.700 0.224 0.000 1.012 467 T CA -0.379 61.770 62.100 0.081 0.000 0.982 467 T CB 2.012 70.877 68.868 -0.004 0.000 1.018 467 T HN 0.217 nan 8.240 nan 0.000 0.451 468 L N 3.154 124.523 121.223 0.244 0.000 2.345 468 L HA 0.594 4.934 4.340 0.000 0.000 0.274 468 L C 0.188 177.152 176.870 0.157 0.000 0.999 468 L CA -0.017 54.889 54.840 0.110 0.000 0.849 468 L CB 0.983 42.940 42.059 -0.171 0.000 1.220 468 L HN 0.621 nan 8.230 nan 0.000 0.422 469 S N 2.130 117.926 115.700 0.160 0.000 2.626 469 S HA 0.520 4.990 4.470 0.000 0.000 0.257 469 S C 0.475 175.221 174.600 0.243 0.000 1.288 469 S CA -0.099 58.201 58.200 0.166 0.000 0.980 469 S CB 0.503 63.765 63.200 0.104 0.000 0.975 469 S HN 0.885 nan 8.310 nan 0.000 0.577 470 G N 0.017 108.872 108.800 0.091 0.000 2.353 470 G HA2 0.223 4.183 3.960 0.000 0.000 0.239 470 G HA3 0.223 4.183 3.960 0.000 0.000 0.239 470 G C -0.124 174.778 174.900 0.004 0.000 1.295 470 G CA -0.372 44.711 45.100 -0.029 0.000 0.884 470 G HN 0.687 nan 8.290 nan 0.000 0.537 471 R N 0.655 121.137 120.500 -0.029 0.000 3.225 471 R HA -0.199 4.141 4.340 0.000 0.000 0.245 471 R C -0.439 175.953 176.300 0.153 0.000 0.928 471 R CA 1.129 57.245 56.100 0.028 0.000 0.632 471 R CB -1.053 29.083 30.300 -0.274 0.000 1.038 471 R HN 0.706 nan 8.270 nan 0.000 0.461 472 D N -0.867 119.652 120.400 0.199 0.000 2.547 472 D HA 0.591 5.231 4.640 0.000 0.000 0.231 472 D C -1.202 175.145 176.300 0.078 0.000 1.099 472 D CA -0.434 53.651 54.000 0.142 0.000 0.901 472 D CB 2.145 43.020 40.800 0.126 0.000 1.478 472 D HN 0.017 nan 8.370 nan 0.000 0.471 473 S N 0.745 116.460 115.700 0.024 0.000 2.541 473 S HA 0.711 5.181 4.470 0.000 0.000 0.271 473 S C -1.591 172.943 174.600 -0.109 0.000 1.133 473 S CA -0.746 57.416 58.200 -0.064 0.000 0.876 473 S CB 0.842 64.004 63.200 -0.063 0.000 1.105 473 S HN 0.370 nan 8.310 nan 0.000 0.470 474 K N 2.291 122.567 120.400 -0.208 0.000 2.477 474 K HA 0.568 4.888 4.320 0.000 0.000 0.255 474 K C -1.302 175.066 176.600 -0.387 0.000 0.952 474 K CA -0.745 55.366 56.287 -0.293 0.000 0.826 474 K CB 1.959 34.272 32.500 -0.312 0.000 1.331 474 K HN 0.555 nan 8.250 nan 0.000 0.437 475 I N 2.797 123.143 120.570 -0.374 0.000 2.371 475 I HA 0.224 4.394 4.170 0.000 0.000 0.282 475 I C -0.409 175.628 176.117 -0.133 0.000 1.031 475 I CA -0.556 60.581 61.300 -0.272 0.000 1.180 475 I CB 0.578 38.343 38.000 -0.391 0.000 1.336 475 I HN 0.455 nan 8.210 nan 0.000 0.467 476 H N 4.429 123.542 119.070 0.071 0.000 2.582 476 H HA 0.481 5.037 4.556 0.000 0.000 0.345 476 H C -0.134 175.309 175.328 0.192 0.000 1.104 476 H CA -0.720 55.393 56.048 0.109 0.000 1.390 476 H CB 1.660 31.502 29.762 0.134 0.000 1.461 476 H HN 0.420 nan 8.280 nan 0.000 0.551 477 V N 0.195 120.261 119.914 0.253 0.000 2.864 477 V HA 0.716 4.836 4.120 0.000 0.000 0.314 477 V C -0.064 176.125 176.094 0.158 0.000 1.073 477 V CA -0.805 61.567 62.300 0.120 0.000 0.956 477 V CB 1.875 33.721 31.823 0.039 0.000 1.023 477 V HN 0.934 nan 8.190 nan 0.000 0.435 478 T N -0.980 113.635 114.554 0.102 0.000 2.893 478 T HA 0.548 4.898 4.350 0.000 0.000 0.293 478 T C -0.448 174.294 174.700 0.070 0.000 1.027 478 T CA -0.089 62.108 62.100 0.160 0.000 0.988 478 T CB 1.545 70.560 68.868 0.244 0.000 1.043 478 T HN 1.018 nan 8.240 nan 0.000 0.461 479 D N 0.493 120.947 120.400 0.089 0.000 2.686 479 D HA -0.195 4.446 4.640 0.000 0.000 0.235 479 D C -0.746 175.559 176.300 0.008 0.000 1.160 479 D CA 0.781 54.806 54.000 0.040 0.000 0.645 479 D CB -1.112 39.706 40.800 0.030 0.000 1.039 479 D HN 0.725 nan 8.370 nan 0.000 0.423 480 Y N 1.287 121.527 120.300 -0.100 0.000 2.393 480 Y HA 0.234 4.784 4.550 0.000 0.000 0.338 480 Y C 0.400 176.199 175.900 -0.168 0.000 1.029 480 Y CA -0.665 57.362 58.100 -0.121 0.000 1.239 480 Y CB 0.708 39.112 38.460 -0.094 0.000 1.170 480 Y HN -0.129 nan 8.280 nan 0.000 0.515 481 D N 4.915 125.048 120.400 -0.445 0.000 2.316 481 D HA 0.246 4.886 4.640 0.000 0.000 0.245 481 D C -1.197 174.679 176.300 -0.706 0.000 1.171 481 D CA -0.096 53.657 54.000 -0.413 0.000 0.856 481 D CB 0.762 41.385 40.800 -0.296 0.000 1.090 481 D HN 0.321 nan 8.370 nan 0.000 0.476 482 V N 4.226 123.743 119.914 -0.661 0.000 2.240 482 V HA 0.462 4.582 4.120 0.000 0.000 0.265 482 V C 0.618 176.288 176.094 -0.706 0.000 1.073 482 V CA -0.241 61.390 62.300 -1.116 0.000 0.857 482 V CB 0.087 31.492 31.823 -0.696 0.000 1.114 482 V HN 0.899 nan 8.190 nan 0.000 0.469 483 A N 3.685 126.116 122.820 -0.649 0.000 2.640 483 A HA -0.005 4.315 4.320 0.000 0.000 0.300 483 A C 1.769 179.276 177.584 -0.128 0.000 1.499 483 A CA 1.357 53.292 52.037 -0.171 0.000 0.759 483 A CB -1.456 17.550 19.000 0.009 0.000 1.048 483 A HN 2.287 nan 8.150 nan 0.000 0.450 484 G N -2.843 105.866 108.800 -0.151 0.000 2.279 484 G HA2 -0.057 3.903 3.960 0.000 0.000 0.223 484 G HA3 -0.057 3.903 3.960 0.000 0.000 0.223 484 G C 0.454 175.293 174.900 -0.102 0.000 1.015 484 G CA 0.521 45.562 45.100 -0.097 0.000 0.621 484 G HN 1.809 nan 8.290 nan 0.000 0.506 485 T N 1.428 115.901 114.554 -0.135 0.000 2.780 485 T HA 0.488 4.838 4.350 0.000 0.000 0.294 485 T C 0.011 174.636 174.700 -0.125 0.000 0.949 485 T CA 0.015 62.050 62.100 -0.109 0.000 1.074 485 T CB 1.297 70.103 68.868 -0.103 0.000 0.910 485 T HN 0.430 nan 8.240 nan 0.000 0.501 486 N N 3.502 122.154 118.700 -0.080 0.000 2.414 486 N HA 0.183 4.923 4.740 0.000 0.000 0.256 486 N C -0.530 174.955 175.510 -0.041 0.000 1.029 486 N CA -0.539 52.473 53.050 -0.064 0.000 0.948 486 N CB 0.270 38.733 38.487 -0.039 0.000 1.102 486 N HN 0.354 nan 8.380 nan 0.000 0.496 487 I N 5.611 126.167 120.570 -0.024 0.000 2.269 487 I HA 0.045 4.215 4.170 0.000 0.000 0.293 487 I C 1.365 177.485 176.117 0.006 0.000 1.106 487 I CA -0.354 60.938 61.300 -0.013 0.000 1.248 487 I CB 0.280 38.278 38.000 -0.003 0.000 1.444 487 I HN 0.655 nan 8.210 nan 0.000 0.497 488 L N 8.550 129.755 121.223 -0.030 0.000 2.064 488 L HA -0.180 4.160 4.340 0.000 0.000 0.216 488 L C 0.110 177.067 176.870 0.145 0.000 1.077 488 L CA 2.011 56.869 54.840 0.031 0.000 0.766 488 L CB -0.371 41.692 42.059 0.007 0.000 0.890 488 L HN 0.672 nan 8.230 nan 0.000 0.435 489 Y N -4.331 116.012 120.300 0.071 0.000 2.687 489 Y HA 0.565 5.115 4.550 0.000 0.000 0.338 489 Y C -0.894 175.065 175.900 0.098 0.000 1.189 489 Y CA -1.175 56.962 58.100 0.061 0.000 1.097 489 Y CB 0.252 38.725 38.460 0.022 0.000 1.342 489 Y HN -0.183 nan 8.280 nan 0.000 0.461 490 S N 0.431 116.317 115.700 0.310 0.000 2.603 490 S HA 0.416 4.886 4.470 0.000 0.000 0.274 490 S C 0.207 174.925 174.600 0.197 0.000 1.168 490 S CA 0.034 58.382 58.200 0.247 0.000 0.963 490 S CB 1.132 64.367 63.200 0.058 0.000 1.078 490 S HN 1.342 nan 8.310 nan 0.000 0.477 491 T N 2.151 116.817 114.554 0.185 0.000 2.937 491 T HA 0.355 4.705 4.350 0.000 0.000 0.260 491 T C 1.034 175.797 174.700 0.104 0.000 1.051 491 T CA 0.677 62.811 62.100 0.056 0.000 1.141 491 T CB -0.389 68.513 68.868 0.057 0.000 0.879 491 T HN 0.922 nan 8.240 nan 0.000 0.459 492 A N 1.658 124.375 122.820 -0.171 0.000 2.425 492 A HA 0.389 4.709 4.320 0.000 0.000 0.242 492 A C 0.166 177.560 177.584 -0.317 0.000 1.077 492 A CA -0.518 51.172 52.037 -0.580 0.000 0.781 492 A CB 0.060 18.880 19.000 -0.300 0.000 1.020 492 A HN 0.607 nan 8.150 nan 0.000 0.494 493 E N 0.218 120.090 120.200 -0.548 0.000 2.343 493 E HA 0.374 4.724 4.350 0.000 0.000 0.269 493 E C -0.868 175.503 176.600 -0.381 0.000 1.047 493 E CA -0.595 55.475 56.400 -0.550 0.000 0.874 493 E CB 1.274 30.483 29.700 -0.818 0.000 1.033 493 E HN 0.365 nan 8.360 nan 0.000 0.409 494 V N 3.930 123.770 119.914 -0.123 0.000 2.432 494 V HA -0.017 4.103 4.120 0.000 0.000 0.271 494 V C 0.255 176.581 176.094 0.387 0.000 1.046 494 V CA 0.153 62.519 62.300 0.111 0.000 0.945 494 V CB 0.542 32.419 31.823 0.090 0.000 0.992 494 V HN 0.682 nan 8.190 nan 0.000 0.471 495 F N 4.015 124.119 119.950 0.258 0.000 2.188 495 F HA 0.294 4.821 4.527 0.000 0.000 0.289 495 F C 0.979 176.866 175.800 0.146 0.000 1.082 495 F CA 1.462 59.596 58.000 0.223 0.000 1.282 495 F CB 0.481 39.519 39.000 0.065 0.000 1.060 495 F HN 0.577 nan 8.300 nan 0.000 0.493 496 T N -0.400 114.120 114.554 -0.057 0.000 2.700 496 T HA 0.407 4.757 4.350 0.000 0.000 0.307 496 T C -2.510 172.236 174.700 0.077 0.000 1.580 496 T CA -0.318 61.663 62.100 -0.199 0.000 0.992 496 T CB 0.689 69.246 68.868 -0.519 0.000 1.577 496 T HN 0.358 nan 8.240 nan 0.000 0.496 497 W N 1.336 122.581 121.300 -0.091 0.000 3.248 497 W HA 0.779 5.439 4.660 0.000 0.000 0.311 497 W C -2.031 174.388 176.519 -0.166 0.000 1.258 497 W CA -0.970 56.320 57.345 -0.092 0.000 1.191 497 W CB 0.834 30.286 29.460 -0.014 0.000 1.389 497 W HN 0.592 nan 8.180 nan 0.000 0.561 498 K N 1.842 122.255 120.400 0.022 0.000 2.533 498 K HA 0.405 4.726 4.320 0.000 0.000 0.272 498 K C -1.608 174.764 176.600 -0.380 0.000 0.985 498 K CA -0.996 55.066 56.287 -0.374 0.000 0.876 498 K CB 3.131 35.133 32.500 -0.830 0.000 1.452 498 K HN 0.566 nan 8.250 nan 0.000 0.439 499 K N 1.626 121.773 120.400 -0.422 0.000 2.394 499 K HA 0.455 4.775 4.320 0.000 0.000 0.260 499 K C -1.366 175.029 176.600 -0.343 0.000 0.967 499 K CA -0.439 55.695 56.287 -0.254 0.000 0.855 499 K CB 0.529 33.028 32.500 -0.002 0.000 1.101 499 K HN 0.293 nan 8.250 nan 0.000 0.433 500 F N 5.303 125.291 119.950 0.063 0.000 2.325 500 F HA 0.351 4.878 4.527 0.000 0.000 0.369 500 F C 0.766 176.587 175.800 0.035 0.000 1.095 500 F CA -0.770 57.249 58.000 0.032 0.000 1.082 500 F CB 0.441 39.452 39.000 0.019 0.000 1.289 500 F HN 0.749 nan 8.300 nan 0.000 0.462 501 N N 1.369 120.178 118.700 0.182 0.000 2.453 501 N HA -0.334 4.406 4.740 0.000 0.000 0.177 501 N C 0.753 176.318 175.510 0.092 0.000 0.529 501 N CA 1.793 54.913 53.050 0.117 0.000 1.553 501 N CB -0.702 37.852 38.487 0.111 0.000 1.408 501 N HN 0.485 nan 8.380 nan 0.000 0.400 502 N N 2.196 120.951 118.700 0.093 0.000 2.250 502 N HA 0.012 4.752 4.740 0.000 0.000 0.190 502 N C 0.157 175.714 175.510 0.079 0.000 1.116 502 N CA 0.109 53.202 53.050 0.071 0.000 0.881 502 N CB 0.743 39.266 38.487 0.059 0.000 1.006 502 N HN 0.534 nan 8.380 nan 0.000 0.491 503 E N 1.700 121.971 120.200 0.119 0.000 2.313 503 E HA 0.146 4.496 4.350 0.000 0.000 0.276 503 E C -0.820 175.848 176.600 0.113 0.000 1.031 503 E CA -0.100 56.384 56.400 0.139 0.000 0.857 503 E CB 0.736 30.560 29.700 0.206 0.000 1.040 503 E HN -0.078 nan 8.360 nan 0.000 0.408 504 K N 2.634 123.086 120.400 0.086 0.000 2.270 504 K HA 0.461 4.781 4.320 0.000 0.000 0.255 504 K C -1.319 175.333 176.600 0.087 0.000 0.936 504 K CA -0.899 55.412 56.287 0.039 0.000 0.809 504 K CB 2.373 34.879 32.500 0.010 0.000 1.131 504 K HN 0.254 nan 8.250 nan 0.000 0.427 505 V N 3.739 123.692 119.914 0.066 0.000 2.540 505 V HA 0.417 4.537 4.120 0.000 0.000 0.302 505 V C -1.200 174.958 176.094 0.108 0.000 1.035 505 V CA -0.947 61.433 62.300 0.133 0.000 0.873 505 V CB 1.677 33.610 31.823 0.182 0.000 0.992 505 V HN 0.546 nan 8.190 nan 0.000 0.428 506 L N 6.257 127.537 121.223 0.096 0.000 2.381 506 L HA 0.745 5.085 4.340 0.000 0.000 0.274 506 L C -0.802 176.088 176.870 0.032 0.000 0.988 506 L CA -0.161 54.718 54.840 0.064 0.000 0.824 506 L CB 2.067 44.093 42.059 -0.054 0.000 1.263 506 L HN 0.419 nan 8.230 nan 0.000 0.410 507 V N 6.569 126.511 119.914 0.046 0.000 2.328 507 V HA 0.486 4.606 4.120 0.000 0.000 0.278 507 V C 0.058 176.207 176.094 0.090 0.000 1.021 507 V CA -0.415 61.912 62.300 0.045 0.000 0.838 507 V CB 1.114 32.977 31.823 0.067 0.000 0.999 507 V HN 0.639 nan 8.190 nan 0.000 0.447 508 L N 5.761 126.994 121.223 0.017 0.000 2.322 508 L HA 0.767 5.107 4.340 0.000 0.000 0.269 508 L C -0.772 176.195 176.870 0.163 0.000 1.012 508 L CA -0.897 53.958 54.840 0.026 0.000 0.815 508 L CB 1.994 44.004 42.059 -0.082 0.000 1.295 508 L HN 0.768 nan 8.230 nan 0.000 0.438 509 Y N -0.643 119.693 120.300 0.059 0.000 2.571 509 Y HA 0.878 5.428 4.550 0.000 0.000 0.341 509 Y C -0.574 175.339 175.900 0.021 0.000 1.076 509 Y CA -1.022 57.124 58.100 0.077 0.000 1.029 509 Y CB 1.653 40.072 38.460 -0.068 0.000 1.308 509 Y HN 0.547 nan 8.280 nan 0.000 0.461 510 G N -0.021 108.874 108.800 0.158 0.000 2.642 510 G HA2 0.573 4.533 3.960 0.000 0.000 0.293 510 G HA3 0.573 4.533 3.960 0.000 0.000 0.293 510 G C -0.822 174.165 174.900 0.146 0.000 1.341 510 G CA -0.627 44.489 45.100 0.025 0.000 0.916 510 G HN 1.075 nan 8.290 nan 0.000 0.474 511 G N -0.506 108.376 108.800 0.136 0.000 2.562 511 G HA2 0.580 4.540 3.960 0.000 0.000 0.275 511 G HA3 0.580 4.540 3.960 0.000 0.000 0.275 511 G C -2.564 172.374 174.900 0.064 0.000 1.196 511 G CA -1.152 44.006 45.100 0.097 0.000 0.908 511 G HN 0.474 nan 8.290 nan 0.000 0.524 512 P HA 0.140 nan 4.420 nan 0.000 0.265 512 P C 0.923 178.235 177.300 0.020 0.000 1.187 512 P CA 1.565 64.684 63.100 0.031 0.000 0.766 512 P CB 0.722 32.440 31.700 0.029 0.000 0.820 513 G N 1.223 110.028 108.800 0.008 0.000 2.168 513 G HA2 -0.278 3.683 3.960 0.000 0.000 0.257 513 G HA3 -0.278 3.683 3.960 0.000 0.000 0.257 513 G C -0.062 174.812 174.900 -0.044 0.000 0.997 513 G CA -0.022 45.073 45.100 -0.010 0.000 0.708 513 G HN 0.564 nan 8.290 nan 0.000 0.520 514 E N -0.221 119.933 120.200 -0.077 0.000 2.248 514 E HA 0.528 4.878 4.350 0.000 0.000 0.272 514 E C -0.138 176.267 176.600 -0.325 0.000 1.008 514 E CA -0.840 55.440 56.400 -0.200 0.000 0.856 514 E CB 1.119 30.708 29.700 -0.184 0.000 1.120 514 E HN 0.375 nan 8.360 nan 0.000 0.397 515 H N 2.752 121.486 119.070 -0.561 0.000 2.489 515 H HA 0.299 4.855 4.556 0.000 0.000 0.343 515 H C -1.035 173.789 175.328 -0.840 0.000 1.086 515 H CA -0.426 55.289 56.048 -0.554 0.000 1.198 515 H CB 0.730 30.285 29.762 -0.346 0.000 1.490 515 H HN 0.572 nan 8.280 nan 0.000 0.504 516 H N 2.506 120.880 119.070 -1.159 0.000 2.908 516 H HA 0.358 4.914 4.556 0.000 0.000 0.350 516 H C -0.686 174.273 175.328 -0.615 0.000 1.217 516 H CA -0.717 54.823 56.048 -0.846 0.000 1.168 516 H CB 2.560 31.794 29.762 -0.881 0.000 1.891 516 H HN 0.697 nan 8.280 nan 0.000 0.566 517 E N 0.873 121.099 120.200 0.043 0.000 2.363 517 E HA 0.358 4.708 4.350 0.000 0.000 0.281 517 E C -1.680 175.141 176.600 0.368 0.000 0.953 517 E CA -0.526 55.976 56.400 0.169 0.000 0.778 517 E CB 2.148 31.917 29.700 0.115 0.000 1.220 517 E HN 0.362 nan 8.360 nan 0.000 0.431 518 F N 0.876 120.898 119.950 0.121 0.000 2.643 518 F HA 0.940 5.467 4.527 0.000 0.000 0.314 518 F C -1.525 174.019 175.800 -0.426 0.000 1.096 518 F CA -0.893 57.013 58.000 -0.158 0.000 0.953 518 F CB 1.457 40.424 39.000 -0.055 0.000 1.345 518 F HN 0.436 nan 8.300 nan 0.000 0.468 519 A N 1.359 123.875 122.820 -0.507 0.000 2.455 519 A HA 0.752 5.072 4.320 0.000 0.000 0.300 519 A C -1.965 175.526 177.584 -0.155 0.000 1.040 519 A CA -0.841 50.929 52.037 -0.446 0.000 0.697 519 A CB 1.633 20.195 19.000 -0.731 0.000 1.265 519 A HN 0.884 nan 8.150 nan 0.000 0.407 520 V N 2.037 121.922 119.914 -0.049 0.000 2.384 520 V HA 0.374 4.494 4.120 0.000 0.000 0.287 520 V C 0.497 176.575 176.094 -0.027 0.000 1.020 520 V CA -0.550 61.747 62.300 -0.006 0.000 0.850 520 V CB 1.411 33.261 31.823 0.045 0.000 0.987 520 V HN 0.885 nan 8.190 nan 0.000 0.436 521 S N 3.492 119.177 115.700 -0.025 0.000 2.533 521 S HA 0.418 4.888 4.470 0.000 0.000 0.282 521 S C 1.341 175.934 174.600 -0.011 0.000 1.304 521 S CA 0.636 58.827 58.200 -0.015 0.000 1.063 521 S CB 0.764 63.959 63.200 -0.009 0.000 0.881 521 S HN 1.586 nan 8.310 nan 0.000 0.493 522 G N 1.660 110.456 108.800 -0.007 0.000 2.184 522 G HA2 -0.197 3.763 3.960 0.000 0.000 0.264 522 G HA3 -0.197 3.763 3.960 0.000 0.000 0.264 522 G C 0.206 175.103 174.900 -0.005 0.000 0.975 522 G CA 0.033 45.130 45.100 -0.005 0.000 0.642 522 G HN 1.163 nan 8.290 nan 0.000 0.536 523 A N -0.311 122.506 122.820 -0.006 0.000 2.322 523 A HA 0.825 5.145 4.320 0.000 0.000 0.269 523 A C 1.294 178.874 177.584 -0.006 0.000 1.094 523 A CA 1.011 53.047 52.037 -0.003 0.000 0.807 523 A CB 0.990 19.991 19.000 0.002 0.000 1.047 523 A HN 0.740 nan 8.150 nan 0.000 0.487 524 S N -0.556 115.142 115.700 -0.003 0.000 2.527 524 S HA 0.307 4.777 4.470 0.000 0.000 0.227 524 S C 0.795 175.390 174.600 -0.008 0.000 1.059 524 S CA 0.700 58.897 58.200 -0.005 0.000 0.919 524 S CB 0.100 63.299 63.200 -0.001 0.000 0.805 524 S HN 0.929 nan 8.310 nan 0.000 0.500 525 S N -0.012 115.684 115.700 -0.006 0.000 2.724 525 S HA 0.657 5.128 4.470 0.000 0.000 0.278 525 S C -1.788 172.808 174.600 -0.005 0.000 1.190 525 S CA -0.120 58.074 58.200 -0.009 0.000 0.860 525 S CB 1.170 64.367 63.200 -0.005 0.000 1.206 525 S HN 0.428 nan 8.310 nan 0.000 0.507 526 S N 0.222 115.918 115.700 -0.007 0.000 2.596 526 S HA 0.859 5.329 4.470 0.000 0.000 0.270 526 S C -1.559 173.040 174.600 -0.002 0.000 1.155 526 S CA -0.593 57.607 58.200 -0.000 0.000 0.827 526 S CB 1.489 64.686 63.200 -0.006 0.000 1.130 526 S HN 0.820 nan 8.310 nan 0.000 0.467 527 S N 0.519 116.220 115.700 0.001 0.000 2.548 527 S HA 0.558 5.028 4.470 0.000 0.000 0.276 527 S C -0.982 173.612 174.600 -0.010 0.000 1.129 527 S CA -0.770 57.428 58.200 -0.003 0.000 0.931 527 S CB 1.670 64.870 63.200 -0.000 0.000 1.068 527 S HN 0.792 nan 8.310 nan 0.000 0.480 528 V N 3.492 123.397 119.914 -0.014 0.000 2.372 528 V HA 0.115 4.235 4.120 0.000 0.000 0.261 528 V C 1.112 177.186 176.094 -0.032 0.000 1.055 528 V CA -0.248 62.036 62.300 -0.027 0.000 0.930 528 V CB 0.562 32.373 31.823 -0.019 0.000 1.031 528 V HN 0.867 nan 8.190 nan 0.000 0.479 529 V N 1.370 121.255 119.914 -0.049 0.000 3.633 529 V HA 0.419 4.539 4.120 0.000 0.000 0.283 529 V C 0.437 176.492 176.094 -0.065 0.000 1.305 529 V CA 0.397 62.669 62.300 -0.047 0.000 1.153 529 V CB -0.455 31.343 31.823 -0.042 0.000 0.950 529 V HN 0.881 nan 8.190 nan 0.000 0.432 530 E N -0.121 120.031 120.200 -0.079 0.000 2.388 530 E HA 0.505 4.855 4.350 0.000 0.000 0.289 530 E C -0.151 176.412 176.600 -0.061 0.000 0.944 530 E CA 0.121 56.475 56.400 -0.078 0.000 0.792 530 E CB 1.608 31.232 29.700 -0.127 0.000 1.239 530 E HN 0.810 nan 8.360 nan 0.000 0.412 531 G N 1.895 110.676 108.800 -0.032 0.000 2.756 531 G HA2 -0.195 3.766 3.960 0.000 0.000 0.678 531 G HA3 -0.195 3.766 3.960 0.000 0.000 0.678 531 G C -0.361 174.537 174.900 -0.003 0.000 1.349 531 G CA -0.256 44.837 45.100 -0.012 0.000 0.847 531 G HN 0.627 nan 8.290 nan 0.000 0.548 532 S N -0.969 114.738 115.700 0.012 0.000 2.576 532 S HA 0.525 4.995 4.470 0.000 0.000 0.276 532 S C 1.750 176.363 174.600 0.021 0.000 1.339 532 S CA 0.805 59.016 58.200 0.017 0.000 1.039 532 S CB 0.785 64.000 63.200 0.026 0.000 0.902 532 S HN 2.181 nan 8.310 nan 0.000 0.516 533 S N 2.594 118.306 115.700 0.019 0.000 2.631 533 S HA 0.130 4.600 4.470 0.000 0.000 0.217 533 S C 0.649 175.270 174.600 0.036 0.000 0.958 533 S CA -0.177 58.036 58.200 0.022 0.000 0.920 533 S CB -0.240 62.968 63.200 0.013 0.000 0.776 533 S HN 0.614 nan 8.310 nan 0.000 0.517 534 S N 1.161 116.884 115.700 0.039 0.000 2.516 534 S HA 0.458 4.928 4.470 0.000 0.000 0.282 534 S C 1.403 176.043 174.600 0.068 0.000 1.286 534 S CA 0.587 58.814 58.200 0.045 0.000 1.066 534 S CB -0.298 62.925 63.200 0.040 0.000 0.884 534 S HN 1.439 nan 8.310 nan 0.000 0.491 535 G N 4.003 112.845 108.800 0.069 0.000 2.179 535 G HA2 -0.206 3.754 3.960 0.000 0.000 0.260 535 G HA3 -0.206 3.754 3.960 0.000 0.000 0.260 535 G C 0.049 175.028 174.900 0.131 0.000 0.977 535 G CA 0.277 45.436 45.100 0.098 0.000 0.641 535 G HN 0.744 nan 8.290 nan 0.000 0.533 536 I N 1.777 122.409 120.570 0.104 0.000 2.362 536 I HA 0.475 4.645 4.170 0.000 0.000 0.289 536 I C 0.001 176.153 176.117 0.060 0.000 0.994 536 I CA -0.541 60.822 61.300 0.106 0.000 1.158 536 I CB 1.882 39.930 38.000 0.081 0.000 1.315 536 I HN 0.052 nan 8.210 nan 0.000 0.451 537 S N 3.838 119.570 115.700 0.054 0.000 2.501 537 S HA 0.569 5.039 4.470 0.000 0.000 0.301 537 S C -0.472 174.112 174.600 -0.026 0.000 1.096 537 S CA -0.612 57.600 58.200 0.019 0.000 1.063 537 S CB 1.941 65.161 63.200 0.033 0.000 1.042 537 S HN 0.622 nan 8.310 nan 0.000 0.494 538 S N 1.968 117.647 115.700 -0.034 0.000 2.619 538 S HA 0.680 5.150 4.470 0.000 0.000 0.280 538 S C -1.311 173.262 174.600 -0.044 0.000 1.150 538 S CA -0.727 57.436 58.200 -0.062 0.000 0.978 538 S CB 0.644 63.811 63.200 -0.056 0.000 1.041 538 S HN 0.731 nan 8.310 nan 0.000 0.485 539 K N 3.269 123.638 120.400 -0.052 0.000 2.562 539 K HA 0.359 4.679 4.320 0.000 0.000 0.267 539 K C -1.528 175.052 176.600 -0.033 0.000 0.938 539 K CA -0.750 55.517 56.287 -0.033 0.000 0.840 539 K CB 1.305 33.792 32.500 -0.021 0.000 1.390 539 K HN 0.559 nan 8.250 nan 0.000 0.428 540 K N 2.151 122.537 120.400 -0.022 0.000 2.258 540 K HA 0.339 4.659 4.320 0.000 0.000 0.284 540 K C -0.972 175.624 176.600 -0.007 0.000 1.051 540 K CA -0.597 55.680 56.287 -0.017 0.000 0.923 540 K CB 1.536 34.029 32.500 -0.012 0.000 1.046 540 K HN 0.232 nan 8.250 nan 0.000 0.474 541 V N 3.071 122.985 119.914 -0.000 0.000 2.447 541 V HA 0.366 4.486 4.120 0.000 0.000 0.292 541 V C 0.645 176.750 176.094 0.018 0.000 1.021 541 V CA -0.201 62.107 62.300 0.013 0.000 0.850 541 V CB 0.652 32.492 31.823 0.028 0.000 1.005 541 V HN 1.163 nan 8.190 nan 0.000 0.426 542 G N 5.469 114.277 108.800 0.013 0.000 2.556 542 G HA2 -0.273 3.687 3.960 0.000 0.000 0.283 542 G HA3 -0.273 3.687 3.960 0.000 0.000 0.283 542 G C 0.465 175.371 174.900 0.011 0.000 1.177 542 G CA 0.564 45.673 45.100 0.015 0.000 0.978 542 G HN 0.655 nan 8.290 nan 0.000 0.554 543 K N 1.389 121.797 120.400 0.013 0.000 2.446 543 K HA 0.581 4.901 4.320 0.000 0.000 0.203 543 K C 0.607 177.208 176.600 0.003 0.000 1.027 543 K CA 0.561 56.852 56.287 0.007 0.000 1.166 543 K CB 0.742 33.248 32.500 0.009 0.000 0.869 543 K HN 0.806 nan 8.250 nan 0.000 0.504 544 A N 1.171 123.992 122.820 0.002 0.000 2.355 544 A HA 0.460 4.780 4.320 0.000 0.000 0.324 544 A C -1.154 176.413 177.584 -0.030 0.000 1.117 544 A CA -0.735 51.294 52.037 -0.014 0.000 0.785 544 A CB 1.134 20.125 19.000 -0.015 0.000 1.254 544 A HN 0.163 nan 8.150 nan 0.000 0.453 545 L N 3.515 124.709 121.223 -0.047 0.000 2.255 545 L HA 0.501 4.841 4.340 0.000 0.000 0.289 545 L C -0.896 175.897 176.870 -0.128 0.000 1.046 545 L CA -0.076 54.725 54.840 -0.064 0.000 0.816 545 L CB 0.637 42.669 42.059 -0.045 0.000 1.197 545 L HN 0.448 nan 8.230 nan 0.000 0.427 546 V N 6.189 126.024 119.914 -0.133 0.000 2.439 546 V HA 0.416 4.536 4.120 0.000 0.000 0.282 546 V C 0.149 176.077 176.094 -0.276 0.000 1.039 546 V CA -0.593 61.588 62.300 -0.199 0.000 0.913 546 V CB 1.817 33.599 31.823 -0.067 0.000 0.983 546 V HN 0.537 nan 8.190 nan 0.000 0.460 547 V N 3.962 123.559 119.914 -0.528 0.000 2.483 547 V HA 0.802 4.922 4.120 0.000 0.000 0.297 547 V C 0.205 176.087 176.094 -0.353 0.000 1.027 547 V CA -0.469 61.498 62.300 -0.555 0.000 0.855 547 V CB 1.667 32.880 31.823 -1.017 0.000 0.995 547 V HN 1.015 nan 8.190 nan 0.000 0.424 548 A N 5.966 128.739 122.820 -0.079 0.000 2.340 548 A HA 1.042 5.362 4.320 0.000 0.000 0.331 548 A C -0.992 176.718 177.584 0.209 0.000 1.140 548 A CA -0.520 51.545 52.037 0.047 0.000 0.801 548 A CB 1.500 20.548 19.000 0.079 0.000 1.234 548 A HN 1.115 nan 8.150 nan 0.000 0.469 549 W N 0.661 121.851 121.300 -0.184 0.000 3.066 549 W HA 0.588 5.249 4.660 0.000 0.000 0.330 549 W C -2.126 174.339 176.519 -0.091 0.000 1.253 549 W CA -1.067 56.237 57.345 -0.068 0.000 1.187 549 W CB 0.461 29.930 29.460 0.016 0.000 1.434 549 W HN 0.525 nan 8.180 nan 0.000 0.572 550 D N 1.528 122.011 120.400 0.138 0.000 2.256 550 D HA 0.382 5.022 4.640 0.000 0.000 0.246 550 D C -0.032 176.320 176.300 0.087 0.000 1.042 550 D CA -0.580 53.415 54.000 -0.008 0.000 0.841 550 D CB 3.206 44.060 40.800 0.091 0.000 1.223 550 D HN 0.092 nan 8.370 nan 0.000 0.470 551 V N 1.660 121.525 119.914 -0.082 0.000 2.763 551 V HA 0.238 4.358 4.120 0.000 0.000 0.306 551 V C 0.703 176.886 176.094 0.148 0.000 1.059 551 V CA 0.676 63.032 62.300 0.093 0.000 1.138 551 V CB 1.143 32.976 31.823 0.018 0.000 0.940 551 V HN 0.564 nan 8.190 nan 0.000 0.489 552 S N 1.810 117.632 115.700 0.203 0.000 2.579 552 S HA 0.392 4.862 4.470 0.000 0.000 0.272 552 S C 0.851 175.522 174.600 0.118 0.000 1.141 552 S CA 0.030 58.313 58.200 0.137 0.000 0.843 552 S CB 2.094 65.377 63.200 0.138 0.000 1.122 552 S HN 0.989 nan 8.310 nan 0.000 0.468 553 T N 0.622 115.225 114.554 0.082 0.000 3.035 553 T HA 0.296 4.646 4.350 0.000 0.000 0.268 553 T C 0.739 175.483 174.700 0.074 0.000 1.109 553 T CA 0.662 62.802 62.100 0.068 0.000 1.119 553 T CB -0.325 68.574 68.868 0.052 0.000 0.900 553 T HN 0.905 nan 8.240 nan 0.000 0.503 554 A N 1.615 124.481 122.820 0.077 0.000 2.301 554 A HA 0.608 4.928 4.320 0.000 0.000 0.298 554 A C 0.378 178.006 177.584 0.074 0.000 1.185 554 A CA -0.923 51.155 52.037 0.069 0.000 0.830 554 A CB 0.332 19.367 19.000 0.057 0.000 1.112 554 A HN 0.529 nan 8.150 nan 0.000 0.508 555 R N 1.387 121.926 120.500 0.065 0.000 2.594 555 R HA 0.415 4.755 4.340 0.000 0.000 0.272 555 R C -0.764 175.528 176.300 -0.012 0.000 1.074 555 R CA -0.062 56.064 56.100 0.044 0.000 1.105 555 R CB 0.388 30.731 30.300 0.072 0.000 1.008 555 R HN 0.704 nan 8.270 nan 0.000 0.472 556 R N 3.392 123.852 120.500 -0.066 0.000 2.686 556 R HA 0.491 4.831 4.340 0.000 0.000 0.286 556 R C -1.013 175.158 176.300 -0.216 0.000 0.969 556 R CA -0.472 55.562 56.100 -0.110 0.000 0.898 556 R CB 1.758 32.013 30.300 -0.075 0.000 1.183 556 R HN 0.564 nan 8.270 nan 0.000 0.456 557 I N 2.695 123.123 120.570 -0.236 0.000 2.418 557 I HA 0.408 4.578 4.170 0.000 0.000 0.287 557 I C -0.742 175.271 176.117 -0.175 0.000 1.008 557 I CA -1.094 60.014 61.300 -0.318 0.000 1.104 557 I CB 2.017 39.727 38.000 -0.483 0.000 1.264 557 I HN 0.146 nan 8.210 nan 0.000 0.438 558 V N 5.591 125.431 119.914 -0.124 0.000 2.417 558 V HA 0.291 4.412 4.120 0.000 0.000 0.291 558 V C -0.166 175.929 176.094 0.002 0.000 1.024 558 V CA -0.658 61.620 62.300 -0.038 0.000 0.861 558 V CB 1.687 33.523 31.823 0.023 0.000 0.985 558 V HN 0.666 nan 8.190 nan 0.000 0.436 559 Q N 3.945 123.749 119.800 0.006 0.000 2.296 559 Q HA 0.545 4.885 4.340 0.000 0.000 0.257 559 Q C -1.111 174.912 176.000 0.039 0.000 0.942 559 Q CA -0.090 55.728 55.803 0.025 0.000 0.939 559 Q CB 1.612 30.360 28.738 0.017 0.000 1.198 559 Q HN 0.579 nan 8.270 nan 0.000 0.429 560 V N 5.452 125.397 119.914 0.052 0.000 2.340 560 V HA 0.669 4.789 4.120 0.000 0.000 0.277 560 V C 0.740 176.856 176.094 0.037 0.000 1.017 560 V CA 0.147 62.478 62.300 0.052 0.000 0.820 560 V CB 0.215 32.094 31.823 0.093 0.000 1.028 560 V HN 1.044 nan 8.190 nan 0.000 0.436 561 G N 4.850 113.667 108.800 0.027 0.000 2.556 561 G HA2 -0.304 3.656 3.960 0.000 0.000 0.283 561 G HA3 -0.304 3.656 3.960 0.000 0.000 0.283 561 G C 1.007 175.925 174.900 0.030 0.000 1.177 561 G CA 0.586 45.700 45.100 0.023 0.000 0.978 561 G HN 1.455 nan 8.290 nan 0.000 0.554 562 S N -0.352 115.365 115.700 0.029 0.000 2.650 562 S HA 0.455 4.925 4.470 0.000 0.000 0.219 562 S C 0.666 175.295 174.600 0.047 0.000 0.960 562 S CA 1.166 59.389 58.200 0.039 0.000 0.925 562 S CB 0.267 63.488 63.200 0.034 0.000 0.775 562 S HN 1.429 nan 8.310 nan 0.000 0.525 563 L N 2.125 123.372 121.223 0.039 0.000 2.272 563 L HA 0.515 4.855 4.340 0.000 0.000 0.289 563 L C -0.672 176.236 176.870 0.063 0.000 1.032 563 L CA -0.347 54.517 54.840 0.041 0.000 0.810 563 L CB 1.119 43.182 42.059 0.007 0.000 1.205 563 L HN -0.037 nan 8.230 nan 0.000 0.422 564 K N 4.914 125.379 120.400 0.109 0.000 2.263 564 K HA 0.484 4.804 4.320 0.000 0.000 0.272 564 K C -1.229 175.480 176.600 0.182 0.000 1.033 564 K CA -0.661 55.714 56.287 0.146 0.000 0.884 564 K CB 1.616 34.268 32.500 0.253 0.000 1.107 564 K HN 0.428 nan 8.250 nan 0.000 0.460 565 V N 5.041 124.996 119.914 0.068 0.000 2.333 565 V HA 0.264 4.385 4.120 0.000 0.000 0.274 565 V C -0.407 175.701 176.094 0.024 0.000 1.028 565 V CA -0.802 61.492 62.300 -0.010 0.000 0.851 565 V CB 0.047 31.700 31.823 -0.283 0.000 1.000 565 V HN 0.511 nan 8.190 nan 0.000 0.456 566 F N 5.289 125.146 119.950 -0.155 0.000 2.438 566 F HA 0.463 4.990 4.527 0.000 0.000 0.356 566 F C 0.355 175.986 175.800 -0.281 0.000 1.099 566 F CA -0.747 57.165 58.000 -0.147 0.000 1.185 566 F CB 0.825 39.788 39.000 -0.062 0.000 1.115 566 F HN 0.250 nan 8.300 nan 0.000 0.526 567 L N 6.157 127.233 121.223 -0.244 0.000 2.277 567 L HA 0.501 4.841 4.340 0.000 0.000 0.284 567 L C -0.542 176.233 176.870 -0.158 0.000 1.028 567 L CA -0.264 54.235 54.840 -0.568 0.000 0.835 567 L CB 0.628 42.017 42.059 -1.117 0.000 1.215 567 L HN 0.488 nan 8.230 nan 0.000 0.425 568 L N 2.135 123.382 121.223 0.039 0.000 2.286 568 L HA 0.577 4.917 4.340 0.000 0.000 0.265 568 L C -0.435 176.580 176.870 0.243 0.000 1.012 568 L CA -1.041 53.871 54.840 0.119 0.000 0.818 568 L CB 2.104 44.140 42.059 -0.039 0.000 1.337 568 L HN 0.534 nan 8.230 nan 0.000 0.438 569 D N 0.043 120.524 120.400 0.135 0.000 2.229 569 D HA 0.151 4.791 4.640 0.000 0.000 0.249 569 D C 0.665 176.946 176.300 -0.031 0.000 1.027 569 D CA -0.710 53.351 54.000 0.102 0.000 0.923 569 D CB 1.877 42.715 40.800 0.064 0.000 1.174 569 D HN 0.484 nan 8.370 nan 0.000 0.443 570 R N 1.793 122.259 120.500 -0.058 0.000 2.113 570 R HA -0.259 4.081 4.340 0.000 0.000 0.244 570 R C 1.119 176.983 176.300 -0.727 0.000 1.142 570 R CA 2.157 58.054 56.100 -0.338 0.000 0.953 570 R CB -0.302 29.840 30.300 -0.263 0.000 0.860 570 R HN 0.505 nan 8.270 nan 0.000 0.438 571 N N -0.262 118.100 118.700 -0.563 0.000 2.289 571 N HA -0.083 4.657 4.740 0.000 0.000 0.184 571 N C 1.582 176.947 175.510 -0.241 0.000 1.016 571 N CA 1.538 54.264 53.050 -0.539 0.000 0.872 571 N CB 0.028 38.390 38.487 -0.208 0.000 0.973 571 N HN 0.131 nan 8.380 nan 0.000 0.433 572 S N -0.005 115.603 115.700 -0.154 0.000 2.395 572 S HA 0.059 4.529 4.470 0.000 0.000 0.225 572 S C 2.054 176.640 174.600 -0.023 0.000 1.027 572 S CA 0.742 58.940 58.200 -0.004 0.000 0.965 572 S CB -0.258 62.977 63.200 0.059 0.000 0.812 572 S HN 0.479 nan 8.310 nan 0.000 0.482 573 A N 0.658 123.298 122.820 -0.300 0.000 2.024 573 A HA -0.110 4.210 4.320 0.000 0.000 0.220 573 A C 1.719 179.045 177.584 -0.431 0.000 1.164 573 A CA 1.222 52.907 52.037 -0.587 0.000 0.643 573 A CB -0.851 17.635 19.000 -0.857 0.000 0.806 573 A HN 0.502 nan 8.150 nan 0.000 0.451 574 Y N 0.687 120.774 120.300 -0.355 0.000 2.315 574 Y HA -0.132 4.418 4.550 0.000 0.000 0.288 574 Y C 1.699 177.401 175.900 -0.330 0.000 1.154 574 Y CA 0.974 58.877 58.100 -0.328 0.000 1.229 574 Y CB -0.445 37.899 38.460 -0.194 0.000 0.980 574 Y HN 0.362 nan 8.280 nan 0.000 0.540 575 N N -1.169 117.529 118.700 -0.004 0.000 2.322 575 N HA -0.042 4.698 4.740 0.000 0.000 0.194 575 N C -0.707 174.711 175.510 -0.154 0.000 1.126 575 N CA 0.197 53.236 53.050 -0.018 0.000 0.845 575 N CB -0.103 38.444 38.487 0.100 0.000 0.976 575 N HN 0.180 nan 8.380 nan 0.000 0.475 576 Y N -0.506 119.498 120.300 -0.494 0.000 2.352 576 Y HA 0.362 4.912 4.550 0.000 0.000 0.326 576 Y C -0.126 175.487 175.900 -0.479 0.000 1.166 576 Y CA -0.689 57.197 58.100 -0.357 0.000 1.182 576 Y CB 0.752 38.936 38.460 -0.459 0.000 1.216 576 Y HN -0.078 nan 8.280 nan 0.000 0.474 577 W N 0.248 121.712 121.300 0.273 0.000 3.033 577 W HA 0.676 5.336 4.660 0.000 0.000 0.336 577 W C -1.442 175.204 176.519 0.211 0.000 1.173 577 W CA -0.946 56.540 57.345 0.235 0.000 1.185 577 W CB 1.397 30.911 29.460 0.090 0.000 1.425 577 W HN 0.035 nan 8.180 nan 0.000 0.536 578 V N 2.713 122.838 119.914 0.351 0.000 2.320 578 V HA 0.251 4.371 4.120 0.000 0.000 0.257 578 V C -2.350 173.811 176.094 0.112 0.000 0.996 578 V CA -1.668 60.731 62.300 0.165 0.000 0.928 578 V CB -0.116 31.707 31.823 -0.000 0.000 1.169 578 V HN 0.246 nan 8.190 nan 0.000 0.475 579 P HA 0.273 nan 4.420 nan 0.000 0.271 579 P C -0.148 177.173 177.300 0.034 0.000 1.216 579 P CA -0.045 63.094 63.100 0.064 0.000 0.776 579 P CB 0.675 32.401 31.700 0.043 0.000 0.881 580 Q N 0.406 120.217 119.800 0.018 0.000 2.354 580 Q HA 0.393 4.733 4.340 0.000 0.000 0.244 580 Q C -0.662 175.349 176.000 0.019 0.000 0.969 580 Q CA -0.545 55.262 55.803 0.007 0.000 0.885 580 Q CB 0.799 29.530 28.738 -0.011 0.000 1.241 580 Q HN 0.191 nan 8.270 nan 0.000 0.461 581 V N 3.466 123.393 119.914 0.021 0.000 2.357 581 V HA 0.254 4.374 4.120 0.000 0.000 0.281 581 V C -2.277 173.839 176.094 0.037 0.000 1.015 581 V CA -1.830 60.492 62.300 0.036 0.000 0.827 581 V CB 1.047 32.884 31.823 0.022 0.000 1.018 581 V HN 0.678 nan 8.190 nan 0.000 0.432 582 P HA 0.101 nan 4.420 nan 0.000 0.266 582 P C 1.245 178.565 177.300 0.033 0.000 1.195 582 P CA 0.202 63.315 63.100 0.022 0.000 0.768 582 P CB 0.647 32.350 31.700 0.005 0.000 0.838 583 T N 0.896 115.460 114.554 0.017 0.000 2.614 583 T HA -0.067 4.283 4.350 0.000 0.000 0.263 583 T C 0.449 175.162 174.700 0.022 0.000 1.055 583 T CA 1.037 63.150 62.100 0.022 0.000 1.162 583 T CB -0.240 68.637 68.868 0.015 0.000 0.863 583 T HN 0.315 nan 8.240 nan 0.000 0.414 584 K N 0.641 121.042 120.400 0.001 0.000 2.318 584 K HA 0.577 4.897 4.320 0.000 0.000 0.249 584 K C 0.185 176.754 176.600 -0.052 0.000 0.942 584 K CA -0.375 55.904 56.287 -0.013 0.000 0.808 584 K CB 2.106 34.598 32.500 -0.014 0.000 1.189 584 K HN 0.565 nan 8.250 nan 0.000 0.428 585 G N 0.080 108.826 108.800 -0.091 0.000 2.698 585 G HA2 -0.273 3.687 3.960 0.000 0.000 0.225 585 G HA3 -0.273 3.687 3.960 0.000 0.000 0.225 585 G C 0.413 175.132 174.900 -0.302 0.000 1.345 585 G CA -0.000 44.995 45.100 -0.174 0.000 0.871 585 G HN 0.652 nan 8.290 nan 0.000 0.540 586 T N -2.191 112.129 114.554 -0.390 0.000 2.959 586 T HA 0.675 5.025 4.350 0.000 0.000 0.254 586 T C 1.245 175.802 174.700 -0.238 0.000 1.003 586 T CA 1.512 63.278 62.100 -0.557 0.000 0.950 586 T CB 0.354 68.754 68.868 -0.780 0.000 1.090 586 T HN 2.216 nan 8.240 nan 0.000 0.503 587 A N 3.688 126.394 122.820 -0.190 0.000 2.440 587 A HA 0.541 4.861 4.320 0.000 0.000 0.251 587 A C -0.629 176.880 177.584 -0.125 0.000 1.089 587 A CA -1.395 50.549 52.037 -0.155 0.000 0.779 587 A CB 0.461 19.355 19.000 -0.178 0.000 1.022 587 A HN 0.260 nan 8.150 nan 0.000 0.492 588 P HA 0.053 nan 4.420 nan 0.000 0.221 588 P C 0.825 178.049 177.300 -0.126 0.000 1.150 588 P CA 1.429 64.475 63.100 -0.090 0.000 0.800 588 P CB -0.126 31.530 31.700 -0.073 0.000 0.787 589 G N -0.449 108.217 108.800 -0.222 0.000 2.712 589 G HA2 -0.191 3.769 3.960 0.000 0.000 0.686 589 G HA3 -0.191 3.769 3.960 0.000 0.000 0.686 589 G C -0.901 173.819 174.900 -0.299 0.000 1.321 589 G CA -0.804 44.129 45.100 -0.278 0.000 0.813 589 G HN 0.037 nan 8.290 nan 0.000 0.599 590 Y N 0.384 120.579 120.300 -0.174 0.000 2.459 590 Y HA 0.412 4.962 4.550 0.000 0.000 0.349 590 Y C 1.698 177.511 175.900 -0.145 0.000 1.266 590 Y CA 0.645 58.568 58.100 -0.295 0.000 1.483 590 Y CB 0.557 38.722 38.460 -0.491 0.000 1.362 590 Y HN 0.548 nan 8.280 nan 0.000 0.628 591 S N 2.379 118.116 115.700 0.062 0.000 2.465 591 S HA 0.372 4.842 4.470 0.000 0.000 0.279 591 S C -0.451 174.222 174.600 0.122 0.000 1.201 591 S CA -0.699 57.543 58.200 0.071 0.000 1.053 591 S CB -0.331 62.909 63.200 0.067 0.000 0.953 591 S HN 0.700 nan 8.310 nan 0.000 0.488 592 N N 1.417 120.163 118.700 0.077 0.000 3.106 592 N HA 0.222 4.962 4.740 0.000 0.000 0.253 592 N C 0.274 175.797 175.510 0.021 0.000 1.506 592 N CA -0.823 52.271 53.050 0.074 0.000 0.876 592 N CB 0.213 38.765 38.487 0.109 0.000 1.452 592 N HN 0.113 nan 8.380 nan 0.000 0.542 593 Q N 0.220 120.029 119.800 0.014 0.000 2.077 593 Q HA -0.213 4.127 4.340 0.000 0.000 0.206 593 Q C 1.197 177.186 176.000 -0.018 0.000 0.989 593 Q CA 2.055 57.851 55.803 -0.012 0.000 0.853 593 Q CB -0.413 28.327 28.738 0.003 0.000 0.907 593 Q HN 0.875 nan 8.270 nan 0.000 0.418 594 E N 0.006 120.209 120.200 0.006 0.000 2.031 594 E HA -0.161 4.189 4.350 0.000 0.000 0.193 594 E C 1.944 178.541 176.600 -0.006 0.000 0.994 594 E CA 1.949 58.352 56.400 0.005 0.000 0.800 594 E CB 0.073 29.786 29.700 0.021 0.000 0.752 594 E HN 0.502 nan 8.360 nan 0.000 0.447 595 T N -2.081 112.474 114.554 0.001 0.000 2.881 595 T HA -0.092 4.258 4.350 0.000 0.000 0.270 595 T C 1.938 176.617 174.700 -0.034 0.000 1.068 595 T CA 1.598 63.692 62.100 -0.009 0.000 1.131 595 T CB -0.552 68.316 68.868 -0.001 0.000 0.871 595 T HN 0.027 nan 8.240 nan 0.000 0.479 596 T N 1.874 116.394 114.554 -0.057 0.000 2.812 596 T HA 0.213 4.563 4.350 0.000 0.000 0.264 596 T C 2.469 177.075 174.700 -0.157 0.000 1.042 596 T CA 1.057 63.088 62.100 -0.116 0.000 1.140 596 T CB -0.715 68.064 68.868 -0.147 0.000 0.870 596 T HN 0.598 nan 8.240 nan 0.000 0.445 597 A N 1.856 124.599 122.820 -0.128 0.000 1.933 597 A HA -0.056 4.264 4.320 0.000 0.000 0.218 597 A C 2.289 179.831 177.584 -0.071 0.000 1.175 597 A CA 1.784 53.743 52.037 -0.129 0.000 0.628 597 A CB -0.558 18.402 19.000 -0.068 0.000 0.814 597 A HN 0.565 nan 8.150 nan 0.000 0.444 598 S N -0.440 115.245 115.700 -0.025 0.000 2.660 598 S HA 0.293 4.763 4.470 0.000 0.000 0.227 598 S C 0.475 175.100 174.600 0.043 0.000 0.948 598 S CA 0.009 58.223 58.200 0.025 0.000 0.948 598 S CB -0.253 62.962 63.200 0.024 0.000 0.779 598 S HN 0.255 nan 8.310 nan 0.000 0.487 599 S N 2.130 117.840 115.700 0.018 0.000 2.632 599 S HA 0.651 5.121 4.470 0.000 0.000 0.267 599 S C 0.353 175.035 174.600 0.136 0.000 1.276 599 S CA -0.778 57.443 58.200 0.036 0.000 0.998 599 S CB 0.526 63.714 63.200 -0.019 0.000 0.953 599 S HN 0.637 nan 8.310 nan 0.000 0.547 600 I N -1.504 119.131 120.570 0.109 0.000 3.067 600 I HA 0.663 4.833 4.170 0.000 0.000 0.312 600 I C -1.202 174.994 176.117 0.132 0.000 1.073 600 I CA -1.285 60.092 61.300 0.129 0.000 1.016 600 I CB 1.370 39.340 38.000 -0.050 0.000 1.227 600 I HN 0.423 nan 8.210 nan 0.000 0.456 601 I N 3.097 123.749 120.570 0.136 0.000 2.378 601 I HA 0.483 4.653 4.170 0.000 0.000 0.291 601 I C -0.859 175.323 176.117 0.108 0.000 0.992 601 I CA -0.904 60.497 61.300 0.169 0.000 1.154 601 I CB 1.887 40.003 38.000 0.193 0.000 1.315 601 I HN 0.281 nan 8.210 nan 0.000 0.448 602 V N 6.238 126.246 119.914 0.157 0.000 2.531 602 V HA 0.348 4.468 4.120 0.000 0.000 0.301 602 V C -0.175 175.957 176.094 0.063 0.000 1.034 602 V CA -0.865 61.494 62.300 0.099 0.000 0.865 602 V CB 1.973 33.862 31.823 0.110 0.000 0.995 602 V HN 0.640 nan 8.190 nan 0.000 0.424 603 K N 3.571 123.887 120.400 -0.139 0.000 2.234 603 K HA 0.816 5.136 4.320 0.000 0.000 0.277 603 K C -0.140 176.457 176.600 -0.005 0.000 1.038 603 K CA 0.121 56.196 56.287 -0.354 0.000 0.888 603 K CB 1.442 33.537 32.500 -0.675 0.000 1.091 603 K HN 0.896 nan 8.250 nan 0.000 0.467 604 A N 3.122 126.050 122.820 0.179 0.000 3.972 604 A HA 0.728 5.048 4.320 0.000 0.000 0.166 604 A C -0.018 177.747 177.584 0.301 0.000 0.722 604 A CA 0.033 52.209 52.037 0.232 0.000 1.045 604 A CB 0.329 19.424 19.000 0.158 0.000 1.949 604 A HN 0.744 nan 8.150 nan 0.000 0.853 605 G N -2.090 106.895 108.800 0.307 0.000 3.364 605 G HA2 0.377 4.337 3.960 0.000 0.000 0.191 605 G HA3 0.377 4.337 3.960 0.000 0.000 0.191 605 G C 0.841 175.953 174.900 0.353 0.000 1.352 605 G CA 0.816 46.102 45.100 0.310 0.000 0.758 605 G HN 0.711 nan 8.290 nan 0.000 0.730 606 Y N 0.117 120.453 120.300 0.060 0.000 2.102 606 Y HA 0.070 4.620 4.550 0.000 0.000 0.280 606 Y C 0.598 176.472 175.900 -0.044 0.000 1.178 606 Y CA 2.130 60.233 58.100 0.004 0.000 1.146 606 Y CB -0.013 38.379 38.460 -0.114 0.000 0.968 606 Y HN 0.292 nan 8.280 nan 0.000 0.504 607 L N -1.153 119.823 121.223 -0.413 0.000 2.612 607 L HA 0.534 4.874 4.340 0.000 0.000 0.256 607 L C -2.005 174.119 176.870 -1.244 0.000 0.949 607 L CA -0.822 53.389 54.840 -1.047 0.000 0.867 607 L CB 2.014 43.672 42.059 -0.669 0.000 1.417 607 L HN -0.337 nan 8.230 nan 0.000 0.414 608 V N 5.437 124.350 119.914 -1.668 0.000 2.380 608 V HA 0.494 4.614 4.120 0.000 0.000 0.286 608 V C 0.774 176.530 176.094 -0.562 0.000 1.015 608 V CA -0.397 61.324 62.300 -0.965 0.000 0.834 608 V CB 1.264 32.554 31.823 -0.888 0.000 1.009 608 V HN 0.854 nan 8.190 nan 0.000 0.428 609 R N 2.318 122.606 120.500 -0.354 0.000 2.062 609 R HA 0.160 4.500 4.340 0.000 0.000 0.226 609 R C 0.699 176.939 176.300 -0.099 0.000 1.125 609 R CA 1.219 57.203 56.100 -0.194 0.000 0.966 609 R CB 0.191 30.401 30.300 -0.150 0.000 0.861 609 R HN 0.786 nan 8.270 nan 0.000 0.433 610 S N -1.612 114.042 115.700 -0.076 0.000 2.655 610 S HA 0.752 5.222 4.470 0.000 0.000 0.266 610 S C -1.650 172.955 174.600 0.009 0.000 1.149 610 S CA -0.722 57.472 58.200 -0.010 0.000 0.818 610 S CB 1.898 65.114 63.200 0.027 0.000 1.130 610 S HN 0.201 nan 8.310 nan 0.000 0.476 611 A N 0.467 123.319 122.820 0.054 0.000 2.574 611 A HA 0.901 5.221 4.320 0.000 0.000 0.297 611 A C -1.613 176.050 177.584 0.131 0.000 1.062 611 A CA -0.766 51.285 52.037 0.023 0.000 0.686 611 A CB 1.097 20.086 19.000 -0.019 0.000 1.285 611 A HN 2.178 nan 8.150 nan 0.000 0.403 612 Y N -0.828 119.494 120.300 0.037 0.000 2.592 612 Y HA 0.728 5.278 4.550 0.000 0.000 0.334 612 Y C -1.773 174.172 175.900 0.076 0.000 1.136 612 Y CA -1.437 56.680 58.100 0.027 0.000 1.042 612 Y CB 1.064 39.519 38.460 -0.009 0.000 1.325 612 Y HN 0.750 nan 8.280 nan 0.000 0.457 613 L N 3.133 124.492 121.223 0.227 0.000 2.280 613 L HA 0.546 4.886 4.340 0.000 0.000 0.287 613 L C -1.238 175.780 176.870 0.246 0.000 1.023 613 L CA -0.095 54.843 54.840 0.162 0.000 0.819 613 L CB 1.019 43.128 42.059 0.084 0.000 1.212 613 L HN 0.804 nan 8.230 nan 0.000 0.420 614 D N 4.459 125.026 120.400 0.279 0.000 2.461 614 D HA 0.598 5.238 4.640 0.000 0.000 0.240 614 D C 0.667 177.069 176.300 0.170 0.000 1.094 614 D CA 0.782 54.932 54.000 0.250 0.000 0.868 614 D CB 0.849 41.848 40.800 0.332 0.000 1.062 614 D HN 0.872 nan 8.370 nan 0.000 0.530 615 G N 4.662 113.530 108.800 0.114 0.000 2.543 615 G HA2 -0.371 3.589 3.960 0.000 0.000 0.286 615 G HA3 -0.371 3.589 3.960 0.000 0.000 0.286 615 G C 0.623 175.571 174.900 0.079 0.000 1.153 615 G CA 0.478 45.629 45.100 0.084 0.000 0.968 615 G HN 0.751 nan 8.290 nan 0.000 0.544 616 N N 1.307 120.050 118.700 0.073 0.000 2.238 616 N HA 0.330 5.070 4.740 0.000 0.000 0.222 616 N C -0.653 174.901 175.510 0.073 0.000 1.133 616 N CA 0.509 53.602 53.050 0.071 0.000 0.854 616 N CB 0.628 39.151 38.487 0.059 0.000 1.041 616 N HN 0.427 nan 8.380 nan 0.000 0.510 617 D N 0.940 121.379 120.400 0.065 0.000 2.303 617 D HA 0.151 4.791 4.640 0.000 0.000 0.236 617 D C -0.863 175.420 176.300 -0.029 0.000 1.068 617 D CA -0.495 53.500 54.000 -0.009 0.000 0.830 617 D CB 2.053 42.810 40.800 -0.071 0.000 1.109 617 D HN 0.111 nan 8.370 nan 0.000 0.496 618 L N 4.325 125.520 121.223 -0.046 0.000 2.260 618 L HA 0.187 4.527 4.340 0.000 0.000 0.289 618 L C -0.514 176.214 176.870 -0.236 0.000 1.057 618 L CA -0.143 54.648 54.840 -0.082 0.000 0.811 618 L CB 0.273 42.306 42.059 -0.043 0.000 1.184 618 L HN 0.304 nan 8.230 nan 0.000 0.429 619 H N 6.684 125.532 119.070 -0.369 0.000 2.517 619 H HA 0.455 5.011 4.556 0.000 0.000 0.317 619 H C -0.685 174.406 175.328 -0.394 0.000 1.080 619 H CA -0.303 55.440 56.048 -0.509 0.000 1.301 619 H CB 1.634 30.690 29.762 -1.177 0.000 1.425 619 H HN 0.550 nan 8.280 nan 0.000 0.471 620 I N 3.408 123.910 120.570 -0.112 0.000 2.447 620 I HA 0.082 4.252 4.170 0.000 0.000 0.287 620 I C -0.623 175.477 176.117 -0.029 0.000 1.023 620 I CA -0.884 60.376 61.300 -0.066 0.000 1.083 620 I CB 1.992 39.970 38.000 -0.037 0.000 1.245 620 I HN 0.340 nan 8.210 nan 0.000 0.434 621 Q N 4.955 124.733 119.800 -0.038 0.000 2.303 621 Q HA 0.793 5.133 4.340 0.000 0.000 0.257 621 Q C -0.618 175.294 176.000 -0.146 0.000 0.941 621 Q CA -0.253 55.526 55.803 -0.041 0.000 0.931 621 Q CB 2.080 30.812 28.738 -0.009 0.000 1.215 621 Q HN 0.748 nan 8.270 nan 0.000 0.437 622 A N 2.356 125.062 122.820 -0.189 0.000 2.583 622 A HA 0.822 5.142 4.320 0.000 0.000 0.289 622 A C -1.371 175.867 177.584 -0.577 0.000 1.151 622 A CA -0.781 50.982 52.037 -0.458 0.000 0.695 622 A CB 1.560 20.206 19.000 -0.589 0.000 1.290 622 A HN 0.584 nan 8.150 nan 0.000 0.419 623 D N -0.702 119.229 120.400 -0.781 0.000 2.457 623 D HA 0.762 5.402 4.640 0.000 0.000 0.240 623 D C -1.452 174.376 176.300 -0.786 0.000 1.041 623 D CA 0.305 53.990 54.000 -0.526 0.000 0.861 623 D CB 1.391 42.127 40.800 -0.107 0.000 1.394 623 D HN 0.288 nan 8.370 nan 0.000 0.473 624 F N 1.090 121.043 119.950 0.005 0.000 2.578 624 F HA 0.329 4.856 4.527 0.000 0.000 0.311 624 F C 0.774 176.442 175.800 -0.220 0.000 1.094 624 F CA -0.979 57.002 58.000 -0.032 0.000 0.923 624 F CB 1.396 40.411 39.000 0.024 0.000 1.230 624 F HN 0.216 nan 8.300 nan 0.000 0.450 625 N N 1.008 119.561 118.700 -0.244 0.000 2.238 625 N HA 0.621 5.361 4.740 0.000 0.000 0.235 625 N C -0.771 174.191 175.510 -0.913 0.000 1.209 625 N CA 0.003 52.665 53.050 -0.647 0.000 0.879 625 N CB 1.096 39.231 38.487 -0.586 0.000 1.136 625 N HN 0.719 nan 8.380 nan 0.000 0.517 626 A N -0.859 121.545 122.820 -0.693 0.000 2.522 626 A HA 0.520 4.840 4.320 0.000 0.000 0.291 626 A C -0.997 176.575 177.584 -0.020 0.000 1.039 626 A CA -0.702 51.106 52.037 -0.381 0.000 0.643 626 A CB -0.100 18.805 19.000 -0.160 0.000 1.310 626 A HN 0.027 nan 8.150 nan 0.000 0.436 627 T N 2.335 116.935 114.554 0.077 0.000 2.871 627 T HA 0.454 4.804 4.350 0.000 0.000 0.296 627 T C 0.002 174.734 174.700 0.054 0.000 0.998 627 T CA 1.057 63.199 62.100 0.070 0.000 1.162 627 T CB -0.166 68.738 68.868 0.061 0.000 0.947 627 T HN 0.656 nan 8.240 nan 0.000 0.536 628 T N 6.594 121.164 114.554 0.027 0.000 2.840 628 T HA 0.418 4.768 4.350 0.000 0.000 0.287 628 T C -2.611 172.124 174.700 0.058 0.000 0.991 628 T CA -1.304 60.852 62.100 0.094 0.000 0.964 628 T CB 1.696 70.737 68.868 0.289 0.000 0.954 628 T HN 0.218 nan 8.240 nan 0.000 0.438 629 P HA 0.345 nan 4.420 nan 0.000 0.276 629 P C -0.684 176.659 177.300 0.073 0.000 1.230 629 P CA -0.542 62.589 63.100 0.051 0.000 0.776 629 P CB 0.525 32.255 31.700 0.050 0.000 0.888 630 I N 2.773 123.380 120.570 0.063 0.000 2.530 630 I HA 0.410 4.580 4.170 0.000 0.000 0.297 630 I C 0.335 176.495 176.117 0.072 0.000 1.011 630 I CA -0.550 60.799 61.300 0.081 0.000 1.107 630 I CB 1.675 39.731 38.000 0.093 0.000 1.285 630 I HN 0.348 nan 8.210 nan 0.000 0.436 631 E N 4.219 124.455 120.200 0.060 0.000 2.278 631 E HA 0.517 4.867 4.350 0.000 0.000 0.272 631 E C -1.515 175.122 176.600 0.061 0.000 0.890 631 E CA -0.557 55.886 56.400 0.073 0.000 0.770 631 E CB 3.200 32.930 29.700 0.051 0.000 1.212 631 E HN 0.229 nan 8.360 nan 0.000 0.415 632 V N 3.166 123.133 119.914 0.088 0.000 2.409 632 V HA 0.359 4.479 4.120 0.000 0.000 0.291 632 V C -0.411 175.622 176.094 -0.101 0.000 1.020 632 V CA -0.794 61.495 62.300 -0.018 0.000 0.848 632 V CB 1.710 33.498 31.823 -0.060 0.000 0.990 632 V HN 0.413 nan 8.190 nan 0.000 0.430 633 V N 3.569 123.404 119.914 -0.133 0.000 2.409 633 V HA 0.789 4.909 4.120 0.000 0.000 0.291 633 V C 0.912 176.659 176.094 -0.578 0.000 1.020 633 V CA 0.403 62.586 62.300 -0.194 0.000 0.848 633 V CB 0.947 32.774 31.823 0.006 0.000 0.990 633 V HN 1.197 nan 8.190 nan 0.000 0.430 634 G N 3.833 112.079 108.800 -0.924 0.000 2.130 634 G HA2 -0.009 3.951 3.960 0.000 0.000 0.216 634 G HA3 -0.009 3.951 3.960 0.000 0.000 0.216 634 G C 0.362 174.713 174.900 -0.916 0.000 0.999 634 G CA -0.013 44.072 45.100 -1.691 0.000 0.686 634 G HN 1.533 nan 8.290 nan 0.000 0.515 635 A N 0.434 122.787 122.820 -0.779 0.000 2.565 635 A HA 0.548 4.868 4.320 0.000 0.000 0.237 635 A C -0.773 176.529 177.584 -0.469 0.000 1.053 635 A CA 0.040 51.634 52.037 -0.738 0.000 0.755 635 A CB -0.090 18.069 19.000 -1.402 0.000 0.980 635 A HN 0.283 nan 8.150 nan 0.000 0.506 636 P HA -0.003 nan 4.420 nan 0.000 0.266 636 P C 1.132 178.374 177.300 -0.096 0.000 1.193 636 P CA 0.662 63.680 63.100 -0.137 0.000 0.770 636 P CB 0.572 32.227 31.700 -0.075 0.000 0.836 637 S N 1.254 116.933 115.700 -0.034 0.000 2.400 637 S HA -0.134 4.337 4.470 0.000 0.000 0.232 637 S C 1.981 176.601 174.600 0.032 0.000 1.025 637 S CA 1.298 59.502 58.200 0.006 0.000 0.993 637 S CB -1.400 61.814 63.200 0.023 0.000 0.808 637 S HN 0.602 nan 8.310 nan 0.000 0.478 638 G N 0.877 109.694 108.800 0.028 0.000 2.920 638 G HA2 0.462 4.422 3.960 0.000 0.000 0.208 638 G HA3 0.462 4.422 3.960 0.000 0.000 0.208 638 G C 0.356 175.297 174.900 0.068 0.000 1.159 638 G CA 0.122 45.250 45.100 0.047 0.000 0.784 638 G HN 0.823 nan 8.290 nan 0.000 0.535 639 A N 0.167 123.029 122.820 0.070 0.000 2.362 639 A HA 0.610 4.930 4.320 0.000 0.000 0.276 639 A C 0.977 178.751 177.584 0.317 0.000 1.153 639 A CA -0.215 51.908 52.037 0.143 0.000 0.813 639 A CB 0.629 19.640 19.000 0.018 0.000 1.081 639 A HN 0.307 nan 8.150 nan 0.000 0.507 640 K N 1.381 121.937 120.400 0.260 0.000 2.424 640 K HA 0.129 4.449 4.320 0.000 0.000 0.198 640 K C -0.086 176.524 176.600 0.016 0.000 1.190 640 K CA 0.183 56.566 56.287 0.161 0.000 0.935 640 K CB 0.327 32.863 32.500 0.061 0.000 1.087 640 K HN 0.708 nan 8.250 nan 0.000 0.524 641 N N 1.039 119.773 118.700 0.055 0.000 2.328 641 N HA 0.269 5.009 4.740 0.000 0.000 0.299 641 N C -1.582 173.949 175.510 0.035 0.000 1.179 641 N CA -0.618 52.389 53.050 -0.073 0.000 0.793 641 N CB 2.352 40.792 38.487 -0.078 0.000 1.366 641 N HN -0.114 nan 8.380 nan 0.000 0.493 642 L N 1.418 122.612 121.223 -0.049 0.000 2.305 642 L HA 0.479 4.819 4.340 0.000 0.000 0.284 642 L C -1.245 175.570 176.870 -0.091 0.000 1.013 642 L CA -0.600 54.266 54.840 0.044 0.000 0.819 642 L CB 1.263 43.387 42.059 0.108 0.000 1.227 642 L HN 0.237 nan 8.230 nan 0.000 0.417 643 V N 7.024 126.823 119.914 -0.191 0.000 2.350 643 V HA 0.456 4.576 4.120 0.000 0.000 0.285 643 V C 0.038 176.052 176.094 -0.134 0.000 1.014 643 V CA -0.417 61.739 62.300 -0.240 0.000 0.831 643 V CB 1.376 32.862 31.823 -0.561 0.000 1.000 643 V HN 0.587 nan 8.190 nan 0.000 0.433 644 I N 4.920 125.465 120.570 -0.042 0.000 2.339 644 I HA 0.416 4.586 4.170 0.000 0.000 0.290 644 I C 0.242 176.391 176.117 0.053 0.000 0.994 644 I CA -0.550 60.766 61.300 0.027 0.000 1.191 644 I CB 1.233 39.270 38.000 0.061 0.000 1.343 644 I HN 0.658 nan 8.210 nan 0.000 0.458 645 N N 5.207 123.953 118.700 0.076 0.000 2.727 645 N HA -0.203 4.537 4.740 0.000 0.000 0.249 645 N C 0.899 176.451 175.510 0.070 0.000 1.048 645 N CA 1.327 54.423 53.050 0.076 0.000 0.714 645 N CB -1.156 37.383 38.487 0.086 0.000 0.959 645 N HN 1.130 nan 8.380 nan 0.000 0.544 646 G N -1.690 107.176 108.800 0.110 0.000 2.184 646 G HA2 -0.375 3.585 3.960 0.000 0.000 0.264 646 G HA3 -0.375 3.585 3.960 0.000 0.000 0.264 646 G C -0.038 174.896 174.900 0.057 0.000 0.975 646 G CA 0.875 46.045 45.100 0.117 0.000 0.642 646 G HN 0.544 nan 8.290 nan 0.000 0.536 647 K N 0.859 121.270 120.400 0.018 0.000 2.274 647 K HA 0.399 4.720 4.320 0.000 0.000 0.262 647 K C 0.194 176.769 176.600 -0.042 0.000 0.961 647 K CA -0.778 55.502 56.287 -0.012 0.000 0.833 647 K CB 1.508 33.995 32.500 -0.022 0.000 1.102 647 K HN 0.163 nan 8.250 nan 0.000 0.436 648 K N 1.810 122.181 120.400 -0.049 0.000 2.484 648 K HA 0.040 4.360 4.320 0.000 0.000 0.280 648 K C -0.279 176.278 176.600 -0.072 0.000 1.013 648 K CA 0.538 56.782 56.287 -0.071 0.000 1.029 648 K CB 0.357 32.819 32.500 -0.062 0.000 0.902 648 K HN 0.462 nan 8.250 nan 0.000 0.481 649 T N 2.618 117.122 114.554 -0.083 0.000 2.824 649 T HA 0.091 4.441 4.350 0.000 0.000 0.282 649 T C -0.513 174.126 174.700 -0.102 0.000 0.993 649 T CA -0.738 61.313 62.100 -0.081 0.000 0.967 649 T CB 1.533 70.361 68.868 -0.066 0.000 0.960 649 T HN 0.501 nan 8.240 nan 0.000 0.441 650 Q N 2.241 121.984 119.800 -0.096 0.000 2.255 650 Q HA 0.244 4.584 4.340 0.000 0.000 0.280 650 Q C -0.733 175.192 176.000 -0.126 0.000 1.068 650 Q CA 0.449 56.187 55.803 -0.110 0.000 0.911 650 Q CB 0.228 28.914 28.738 -0.087 0.000 1.157 650 Q HN 0.617 nan 8.270 nan 0.000 0.380 651 T N 4.479 118.921 114.554 -0.187 0.000 2.908 651 T HA 0.576 4.926 4.350 0.000 0.000 0.290 651 T C -0.985 173.567 174.700 -0.246 0.000 1.034 651 T CA -0.832 61.131 62.100 -0.228 0.000 1.010 651 T CB 1.514 70.150 68.868 -0.386 0.000 1.068 651 T HN 0.485 nan 8.240 nan 0.000 0.481 652 K N 0.814 121.099 120.400 -0.192 0.000 2.426 652 K HA 0.741 5.061 4.320 0.000 0.000 0.251 652 K C -1.460 175.070 176.600 -0.116 0.000 0.941 652 K CA -0.891 55.306 56.287 -0.150 0.000 0.808 652 K CB 2.932 35.386 32.500 -0.078 0.000 1.265 652 K HN 0.335 nan 8.250 nan 0.000 0.432 653 V N 2.401 122.264 119.914 -0.085 0.000 2.581 653 V HA 0.309 4.429 4.120 0.000 0.000 0.303 653 V C -1.159 174.963 176.094 0.047 0.000 1.041 653 V CA -0.417 61.899 62.300 0.027 0.000 0.907 653 V CB 1.608 33.465 31.823 0.057 0.000 0.994 653 V HN 0.927 nan 8.190 nan 0.000 0.442 654 D N 4.697 125.146 120.400 0.082 0.000 2.549 654 D HA 0.269 4.909 4.640 0.000 0.000 0.270 654 D C 0.963 177.299 176.300 0.060 0.000 1.181 654 D CA -0.592 53.443 54.000 0.057 0.000 1.070 654 D CB 0.548 41.381 40.800 0.054 0.000 1.154 654 D HN 0.328 nan 8.370 nan 0.000 0.602 655 K N -0.343 120.082 120.400 0.040 0.000 2.113 655 K HA -0.144 4.176 4.320 0.000 0.000 0.208 655 K C 0.593 177.222 176.600 0.048 0.000 1.047 655 K CA 1.069 57.378 56.287 0.036 0.000 0.928 655 K CB -0.472 32.040 32.500 0.020 0.000 0.716 655 K HN 0.420 nan 8.250 nan 0.000 0.446 656 N N 0.235 118.966 118.700 0.052 0.000 2.434 656 N HA -0.015 4.725 4.740 0.000 0.000 0.196 656 N C 0.617 176.191 175.510 0.106 0.000 1.183 656 N CA 0.934 54.025 53.050 0.069 0.000 0.849 656 N CB 0.284 38.797 38.487 0.043 0.000 0.992 656 N HN 0.466 nan 8.380 nan 0.000 0.460 657 G N 1.129 109.994 108.800 0.109 0.000 2.153 657 G HA2 -0.280 3.680 3.960 0.000 0.000 0.252 657 G HA3 -0.280 3.680 3.960 0.000 0.000 0.252 657 G C 0.056 175.048 174.900 0.154 0.000 0.994 657 G CA -0.180 44.997 45.100 0.128 0.000 0.698 657 G HN 0.358 nan 8.290 nan 0.000 0.521 658 I N 0.128 120.804 120.570 0.175 0.000 2.371 658 I HA 0.329 4.499 4.170 0.000 0.000 0.290 658 I C 0.406 176.709 176.117 0.310 0.000 1.028 658 I CA -0.853 60.566 61.300 0.197 0.000 1.345 658 I CB 0.527 38.641 38.000 0.190 0.000 1.407 658 I HN -0.006 nan 8.210 nan 0.000 0.501 659 W N 5.537 126.837 121.300 0.001 0.000 2.287 659 W HA 0.359 5.019 4.660 0.000 0.000 0.313 659 W C 0.456 176.973 176.519 -0.003 0.000 1.267 659 W CA -0.738 56.600 57.345 -0.012 0.000 1.201 659 W CB 0.997 30.438 29.460 -0.032 0.000 1.196 659 W HN 0.441 nan 8.180 nan 0.000 0.536 660 S N 1.800 117.596 115.700 0.161 0.000 2.542 660 S HA 0.988 5.458 4.470 0.000 0.000 0.293 660 S C -0.666 173.954 174.600 0.034 0.000 1.089 660 S CA -0.630 57.625 58.200 0.092 0.000 0.961 660 S CB 2.538 65.776 63.200 0.064 0.000 1.062 660 S HN 0.818 nan 8.310 nan 0.000 0.483 661 A N 1.021 123.859 122.820 0.031 0.000 2.515 661 A HA 0.933 5.253 4.320 0.000 0.000 0.299 661 A C -0.755 176.825 177.584 -0.007 0.000 1.179 661 A CA -0.605 51.430 52.037 -0.005 0.000 0.656 661 A CB 1.021 20.016 19.000 -0.008 0.000 1.306 661 A HN 1.579 nan 8.150 nan 0.000 0.459 662 S N -1.067 114.610 115.700 -0.038 0.000 2.536 662 S HA 0.631 5.101 4.470 0.000 0.000 0.271 662 S C -1.842 172.684 174.600 -0.122 0.000 1.134 662 S CA -0.344 57.823 58.200 -0.055 0.000 0.897 662 S CB 1.617 64.793 63.200 -0.040 0.000 1.094 662 S HN 1.348 nan 8.310 nan 0.000 0.473 663 V N 3.698 123.491 119.914 -0.201 0.000 2.378 663 V HA 0.752 4.872 4.120 0.000 0.000 0.288 663 V C 0.530 176.467 176.094 -0.261 0.000 1.016 663 V CA -0.583 61.495 62.300 -0.369 0.000 0.840 663 V CB 0.986 32.251 31.823 -0.931 0.000 0.994 663 V HN 1.067 nan 8.190 nan 0.000 0.431 664 A N 4.814 127.534 122.820 -0.167 0.000 2.340 664 A HA 0.709 5.029 4.320 0.000 0.000 0.268 664 A C -1.079 176.501 177.584 -0.006 0.000 1.100 664 A CA -0.178 51.821 52.037 -0.064 0.000 0.803 664 A CB 0.428 19.397 19.000 -0.052 0.000 1.043 664 A HN 0.945 nan 8.150 nan 0.000 0.488 665 Y N 0.747 121.011 120.300 -0.060 0.000 2.406 665 Y HA 0.576 5.126 4.550 0.000 0.000 0.340 665 Y C -0.572 175.343 175.900 0.024 0.000 0.975 665 Y CA -0.269 57.829 58.100 -0.002 0.000 1.056 665 Y CB 2.166 40.643 38.460 0.028 0.000 1.210 665 Y HN 0.568 nan 8.280 nan 0.000 0.448 666 T N 5.763 119.987 114.554 -0.550 0.000 2.890 666 T HA 0.599 4.949 4.350 0.000 0.000 0.295 666 T C -0.621 173.721 174.700 -0.597 0.000 0.993 666 T CA -0.455 61.418 62.100 -0.378 0.000 0.979 666 T CB 0.916 69.677 68.868 -0.177 0.000 0.967 666 T HN 0.905 nan 8.240 nan 0.000 0.441 667 A N 6.175 128.749 122.820 -0.410 0.000 2.553 667 A HA 0.390 4.710 4.320 0.000 0.000 0.258 667 A C -1.436 175.975 177.584 -0.289 0.000 1.069 667 A CA -0.535 51.340 52.037 -0.271 0.000 0.767 667 A CB -0.477 18.515 19.000 -0.013 0.000 0.997 667 A HN 0.554 nan 8.150 nan 0.000 0.512 668 P HA 0.221 nan 4.420 nan 0.000 0.276 668 P C -0.588 176.543 177.300 -0.281 0.000 1.252 668 P CA -0.655 62.204 63.100 -0.403 0.000 0.802 668 P CB 0.711 31.959 31.700 -0.753 0.000 1.035 669 K N 1.067 121.339 120.400 -0.213 0.000 2.297 669 K HA 0.261 4.581 4.320 0.000 0.000 0.286 669 K C -1.083 175.409 176.600 -0.180 0.000 1.053 669 K CA -0.448 55.741 56.287 -0.163 0.000 0.940 669 K CB 0.247 32.673 32.500 -0.123 0.000 1.019 669 K HN 0.193 nan 8.250 nan 0.000 0.475 670 V N 6.103 125.914 119.914 -0.171 0.000 2.304 670 V HA 0.207 4.327 4.120 0.000 0.000 0.278 670 V C -0.066 175.927 176.094 -0.169 0.000 1.018 670 V CA -0.752 61.438 62.300 -0.184 0.000 0.814 670 V CB 1.194 32.903 31.823 -0.190 0.000 1.021 670 V HN 0.638 nan 8.190 nan 0.000 0.440 671 Q N 5.300 125.002 119.800 -0.163 0.000 2.337 671 Q HA 0.584 4.925 4.340 0.000 0.000 0.255 671 Q C -0.973 174.917 176.000 -0.183 0.000 0.997 671 Q CA -0.079 55.633 55.803 -0.153 0.000 0.925 671 Q CB 1.525 30.189 28.738 -0.122 0.000 1.212 671 Q HN 0.621 nan 8.270 nan 0.000 0.436 672 L N 4.297 125.399 121.223 -0.202 0.000 2.342 672 L HA 0.614 4.955 4.340 0.000 0.000 0.271 672 L C -1.873 174.837 176.870 -0.266 0.000 1.008 672 L CA -2.184 52.498 54.840 -0.263 0.000 0.818 672 L CB 1.419 43.300 42.059 -0.295 0.000 1.296 672 L HN 0.490 nan 8.230 nan 0.000 0.427 673 P HA 0.086 nan 4.420 nan 0.000 0.274 673 P C -0.789 176.330 177.300 -0.301 0.000 1.237 673 P CA -0.431 62.482 63.100 -0.312 0.000 0.793 673 P CB 1.475 32.934 31.700 -0.401 0.000 0.977 674 S N 1.342 116.916 115.700 -0.209 0.000 2.415 674 S HA 0.175 4.645 4.470 0.000 0.000 0.313 674 S C 1.532 176.053 174.600 -0.131 0.000 1.067 674 S CA -0.765 57.331 58.200 -0.172 0.000 1.099 674 S CB -0.749 62.370 63.200 -0.135 0.000 0.991 674 S HN 0.353 nan 8.310 nan 0.000 0.491 675 L N 4.399 125.551 121.223 -0.118 0.000 2.089 675 L HA -0.164 4.176 4.340 0.000 0.000 0.213 675 L C 2.604 179.668 176.870 0.324 0.000 1.079 675 L CA 1.488 56.387 54.840 0.097 0.000 0.758 675 L CB -0.429 41.691 42.059 0.102 0.000 0.891 675 L HN 0.625 nan 8.230 nan 0.000 0.433 676 K N -0.143 120.240 120.400 -0.029 0.000 2.211 676 K HA -0.102 4.218 4.320 0.000 0.000 0.203 676 K C 1.881 178.409 176.600 -0.121 0.000 1.050 676 K CA 1.237 57.234 56.287 -0.482 0.000 0.945 676 K CB 0.123 32.017 32.500 -1.009 0.000 0.732 676 K HN 0.153 nan 8.250 nan 0.000 0.451 677 S N 0.551 116.220 115.700 -0.052 0.000 2.558 677 S HA 0.157 4.627 4.470 0.000 0.000 0.217 677 S C 0.476 175.092 174.600 0.027 0.000 0.975 677 S CA -0.185 58.002 58.200 -0.022 0.000 0.912 677 S CB 0.050 63.213 63.200 -0.062 0.000 0.776 677 S HN 0.162 nan 8.310 nan 0.000 0.526 678 L N 1.594 122.850 121.223 0.055 0.000 2.472 678 L HA 0.260 4.600 4.340 0.000 0.000 0.260 678 L C 0.427 177.290 176.870 -0.011 0.000 1.209 678 L CA -0.520 54.281 54.840 -0.065 0.000 0.817 678 L CB 0.250 42.153 42.059 -0.259 0.000 1.106 678 L HN -0.044 nan 8.230 nan 0.000 0.479 679 K N 1.008 121.355 120.400 -0.088 0.000 2.284 679 K HA 0.188 4.508 4.320 0.000 0.000 0.287 679 K C -1.562 175.041 176.600 0.004 0.000 1.081 679 K CA 0.007 56.309 56.287 0.024 0.000 0.910 679 K CB 0.236 32.737 32.500 0.003 0.000 1.088 679 K HN 0.231 nan 8.250 nan 0.000 0.478 680 W N 4.270 125.663 121.300 0.156 0.000 2.512 680 W HA 0.468 5.128 4.660 0.000 0.000 0.335 680 W C -0.143 176.519 176.519 0.237 0.000 1.088 680 W CA -0.688 56.790 57.345 0.223 0.000 1.236 680 W CB 1.248 30.879 29.460 0.285 0.000 1.307 680 W HN 0.197 nan 8.180 nan 0.000 0.567 681 K N 1.745 122.474 120.400 0.549 0.000 2.375 681 K HA 0.688 5.008 4.320 0.000 0.000 0.249 681 K C -0.547 176.414 176.600 0.602 0.000 0.942 681 K CA -0.794 55.787 56.287 0.489 0.000 0.806 681 K CB 1.819 34.535 32.500 0.359 0.000 1.227 681 K HN 0.527 nan 8.250 nan 0.000 0.430 682 S N -0.694 115.258 115.700 0.421 0.000 2.579 682 S HA 0.724 5.194 4.470 0.000 0.000 0.272 682 S C -1.221 173.220 174.600 -0.266 0.000 1.141 682 S CA -0.782 57.428 58.200 0.017 0.000 0.843 682 S CB 1.943 64.896 63.200 -0.412 0.000 1.122 682 S HN 0.314 nan 8.310 nan 0.000 0.468 683 V N 0.774 120.352 119.914 -0.560 0.000 3.049 683 V HA 0.525 4.645 4.120 0.000 0.000 0.309 683 V C -1.598 174.287 176.094 -0.349 0.000 1.148 683 V CA -0.713 61.216 62.300 -0.617 0.000 0.990 683 V CB 2.041 33.151 31.823 -1.188 0.000 1.039 683 V HN 1.141 nan 8.190 nan 0.000 0.430 684 D N 2.931 123.175 120.400 -0.259 0.000 2.371 684 D HA 0.105 4.745 4.640 0.000 0.000 0.256 684 D C 0.463 176.674 176.300 -0.148 0.000 1.193 684 D CA 0.680 54.564 54.000 -0.194 0.000 0.881 684 D CB 1.622 42.304 40.800 -0.196 0.000 1.143 684 D HN 0.704 nan 8.370 nan 0.000 0.473 685 T N 4.109 118.609 114.554 -0.089 0.000 3.251 685 T HA 0.183 4.533 4.350 0.000 0.000 0.259 685 T C 0.119 174.742 174.700 -0.129 0.000 0.998 685 T CA -0.370 61.735 62.100 0.008 0.000 0.905 685 T CB -0.484 68.431 68.868 0.079 0.000 1.067 685 T HN 0.248 nan 8.240 nan 0.000 0.569 686 L N 2.669 123.730 121.223 -0.271 0.000 2.725 686 L HA 0.481 4.821 4.340 0.000 0.000 0.270 686 L C -1.933 174.656 176.870 -0.469 0.000 1.422 686 L CA -1.630 52.967 54.840 -0.405 0.000 0.770 686 L CB 1.490 43.234 42.059 -0.524 0.000 1.081 686 L HN -0.115 nan 8.230 nan 0.000 0.527 687 P HA -0.131 nan 4.420 nan 0.000 0.225 687 P C 0.635 177.631 177.300 -0.506 0.000 1.148 687 P CA 0.946 63.774 63.100 -0.453 0.000 0.779 687 P CB 0.506 31.896 31.700 -0.517 0.000 0.780 688 E N 0.761 120.509 120.200 -0.753 0.000 2.265 688 E HA -0.068 4.282 4.350 0.000 0.000 0.196 688 E C 1.943 178.258 176.600 -0.476 0.000 0.996 688 E CA 1.147 57.047 56.400 -0.833 0.000 0.832 688 E CB -0.872 28.423 29.700 -0.676 0.000 0.756 688 E HN 0.262 nan 8.360 nan 0.000 0.491 689 A N 0.519 123.042 122.820 -0.496 0.000 2.291 689 A HA 0.050 4.370 4.320 0.000 0.000 0.220 689 A C 0.194 177.628 177.584 -0.251 0.000 1.262 689 A CA 0.118 51.885 52.037 -0.451 0.000 0.867 689 A CB -0.080 18.459 19.000 -0.769 0.000 0.888 689 A HN -0.029 nan 8.150 nan 0.000 0.487 690 K N 0.028 120.315 120.400 -0.189 0.000 2.207 690 K HA 0.298 4.618 4.320 0.000 0.000 0.255 690 K C -0.095 176.469 176.600 -0.061 0.000 0.941 690 K CA -0.882 55.342 56.287 -0.104 0.000 0.825 690 K CB 1.061 33.507 32.500 -0.090 0.000 1.119 690 K HN 0.027 nan 8.250 nan 0.000 0.430 691 N N 0.721 119.386 118.700 -0.058 0.000 2.519 691 N HA -0.116 4.624 4.740 0.000 0.000 0.186 691 N C 1.122 176.597 175.510 -0.057 0.000 1.062 691 N CA 1.297 54.309 53.050 -0.062 0.000 0.910 691 N CB -0.028 38.418 38.487 -0.068 0.000 0.958 691 N HN 0.684 nan 8.380 nan 0.000 0.445 692 T N -3.500 111.029 114.554 -0.042 0.000 3.100 692 T HA -0.003 4.347 4.350 0.000 0.000 0.253 692 T C 0.626 175.296 174.700 -0.051 0.000 1.118 692 T CA -0.327 61.742 62.100 -0.050 0.000 1.058 692 T CB -0.419 68.422 68.868 -0.046 0.000 0.953 692 T HN 0.070 nan 8.240 nan 0.000 0.515 693 Y N 3.043 123.263 120.300 -0.134 0.000 2.526 693 Y HA 0.360 4.910 4.550 0.000 0.000 0.330 693 Y C -0.203 175.605 175.900 -0.154 0.000 1.156 693 Y CA -1.104 56.910 58.100 -0.143 0.000 1.419 693 Y CB 0.455 38.808 38.460 -0.178 0.000 1.250 693 Y HN 0.093 nan 8.280 nan 0.000 0.540 694 D N 4.441 124.333 120.400 -0.848 0.000 2.414 694 D HA 0.127 4.767 4.640 0.000 0.000 0.232 694 D C -0.591 175.255 176.300 -0.757 0.000 1.070 694 D CA -0.702 52.945 54.000 -0.589 0.000 0.839 694 D CB 0.709 41.286 40.800 -0.372 0.000 1.079 694 D HN 0.626 nan 8.370 nan 0.000 0.521 695 D N 1.522 121.585 120.400 -0.561 0.000 2.427 695 D HA 0.051 4.691 4.640 0.000 0.000 0.224 695 D C 0.813 176.865 176.300 -0.413 0.000 1.157 695 D CA -0.253 53.314 54.000 -0.721 0.000 0.828 695 D CB 0.221 40.306 40.800 -1.192 0.000 0.974 695 D HN 0.127 nan 8.370 nan 0.000 0.498 696 S N 0.292 115.831 115.700 -0.268 0.000 2.387 696 S HA -0.159 4.311 4.470 0.000 0.000 0.230 696 S C 1.956 176.510 174.600 -0.076 0.000 1.035 696 S CA 1.228 59.331 58.200 -0.162 0.000 1.014 696 S CB -0.199 62.920 63.200 -0.135 0.000 0.836 696 S HN 0.602 nan 8.310 nan 0.000 0.466 697 A N -0.175 122.616 122.820 -0.047 0.000 2.238 697 A HA 0.120 4.440 4.320 0.000 0.000 0.208 697 A C 0.200 177.739 177.584 -0.074 0.000 1.177 697 A CA -0.101 51.931 52.037 -0.008 0.000 0.804 697 A CB -0.304 18.748 19.000 0.086 0.000 0.823 697 A HN 0.445 nan 8.150 nan 0.000 0.482 698 W N 0.266 121.283 121.300 -0.473 0.000 2.126 698 W HA 0.356 5.016 4.660 0.000 0.000 0.346 698 W C 0.533 176.953 176.519 -0.166 0.000 1.279 698 W CA -0.288 56.794 57.345 -0.438 0.000 1.259 698 W CB -0.112 29.136 29.460 -0.355 0.000 1.133 698 W HN -0.084 nan 8.180 nan 0.000 0.592 699 T N 2.267 116.898 114.554 0.129 0.000 2.916 699 T HA 0.127 4.477 4.350 0.000 0.000 0.303 699 T C 0.087 174.812 174.700 0.042 0.000 1.025 699 T CA -0.168 61.998 62.100 0.110 0.000 1.142 699 T CB 0.239 69.213 68.868 0.177 0.000 0.947 699 T HN 0.239 nan 8.240 nan 0.000 0.544 700 S N 2.489 118.210 115.700 0.035 0.000 2.474 700 S HA 0.399 4.869 4.470 0.000 0.000 0.276 700 S C 0.674 175.213 174.600 -0.102 0.000 1.227 700 S CA -0.856 57.355 58.200 0.018 0.000 1.050 700 S CB 0.734 63.975 63.200 0.070 0.000 0.939 700 S HN 0.805 nan 8.310 nan 0.000 0.490 701 A N 3.282 126.002 122.820 -0.167 0.000 3.056 701 A HA 0.258 4.578 4.320 0.000 0.000 0.274 701 A C 0.630 178.247 177.584 0.056 0.000 1.661 701 A CA -0.630 51.182 52.037 -0.375 0.000 1.363 701 A CB -0.549 18.288 19.000 -0.273 0.000 1.139 701 A HN 0.768 nan 8.150 nan 0.000 0.598 702 D N -1.023 119.467 120.400 0.150 0.000 2.462 702 D HA 0.020 4.660 4.640 0.000 0.000 0.221 702 D C -0.011 176.470 176.300 0.302 0.000 1.173 702 D CA -0.154 53.983 54.000 0.229 0.000 0.831 702 D CB -0.876 40.050 40.800 0.210 0.000 1.001 702 D HN 0.660 nan 8.370 nan 0.000 0.499 703 H N 0.807 119.949 119.070 0.120 0.000 2.878 703 H HA 0.411 4.967 4.556 0.000 0.000 0.290 703 H C 0.476 175.670 175.328 -0.224 0.000 1.065 703 H CA -0.405 55.501 56.048 -0.237 0.000 1.477 703 H CB 1.309 30.609 29.762 -0.770 0.000 1.484 703 H HN 0.188 nan 8.280 nan 0.000 0.504 704 A N 5.253 128.140 122.820 0.111 0.000 2.728 704 A HA 0.157 4.477 4.320 0.000 0.000 0.258 704 A C -0.667 177.049 177.584 0.219 0.000 1.454 704 A CA -0.082 52.047 52.037 0.154 0.000 1.146 704 A CB -1.083 18.033 19.000 0.195 0.000 0.985 704 A HN 0.719 nan 8.150 nan 0.000 0.603 705 Y N -4.513 115.827 120.300 0.066 0.000 2.732 705 Y HA 0.660 5.210 4.550 0.000 0.000 0.342 705 Y C -0.746 175.168 175.900 0.024 0.000 1.203 705 Y CA -0.760 57.355 58.100 0.026 0.000 1.092 705 Y CB 0.324 38.788 38.460 0.006 0.000 1.345 705 Y HN 0.001 nan 8.280 nan 0.000 0.458 706 T N 0.173 114.795 114.554 0.113 0.000 2.907 706 T HA 0.425 4.775 4.350 0.000 0.000 0.292 706 T C -0.549 174.289 174.700 0.230 0.000 1.043 706 T CA -0.654 61.490 62.100 0.074 0.000 1.003 706 T CB 1.186 70.098 68.868 0.074 0.000 1.084 706 T HN 0.784 nan 8.240 nan 0.000 0.483 707 N N 2.129 120.953 118.700 0.206 0.000 2.280 707 N HA 0.175 4.915 4.740 0.000 0.000 0.192 707 N C 0.083 175.691 175.510 0.164 0.000 1.109 707 N CA -0.122 53.042 53.050 0.190 0.000 0.855 707 N CB 0.125 38.714 38.487 0.170 0.000 0.974 707 N HN 0.562 nan 8.380 nan 0.000 0.482 708 N N 0.422 119.249 118.700 0.211 0.000 2.399 708 N HA 0.005 4.745 4.740 0.000 0.000 0.259 708 N C 0.963 176.572 175.510 0.165 0.000 1.160 708 N CA -0.276 52.895 53.050 0.201 0.000 0.946 708 N CB 0.486 39.153 38.487 0.299 0.000 1.156 708 N HN 0.091 nan 8.380 nan 0.000 0.489 709 S N 2.207 117.963 115.700 0.093 0.000 2.515 709 S HA -0.048 4.422 4.470 0.000 0.000 0.231 709 S C 1.417 176.022 174.600 0.010 0.000 0.987 709 S CA 0.485 58.715 58.200 0.050 0.000 0.936 709 S CB 0.185 63.395 63.200 0.016 0.000 0.766 709 S HN 0.583 nan 8.310 nan 0.000 0.528 710 A N 0.185 123.010 122.820 0.008 0.000 2.252 710 A HA 0.406 4.726 4.320 0.000 0.000 0.213 710 A C -0.001 177.338 177.584 -0.409 0.000 1.188 710 A CA -0.157 51.781 52.037 -0.166 0.000 0.863 710 A CB -0.035 18.861 19.000 -0.174 0.000 0.893 710 A HN 0.631 nan 8.150 nan 0.000 0.495 711 H N -0.293 118.809 119.070 0.053 0.000 2.840 711 H HA 0.441 4.997 4.556 0.000 0.000 0.340 711 H C -0.254 175.198 175.328 0.206 0.000 1.004 711 H CA -0.279 55.832 56.048 0.105 0.000 1.288 711 H CB 1.616 31.407 29.762 0.048 0.000 1.607 711 H HN 0.199 nan 8.280 nan 0.000 0.522 712 S N 3.202 119.035 115.700 0.221 0.000 2.601 712 S HA 0.416 4.886 4.470 0.000 0.000 0.271 712 S C 0.154 174.858 174.600 0.173 0.000 1.305 712 S CA -0.999 57.300 58.200 0.165 0.000 1.022 712 S CB 0.827 64.079 63.200 0.085 0.000 0.940 712 S HN 0.464 nan 8.310 nan 0.000 0.525 713 L N 1.718 122.979 121.223 0.064 0.000 2.439 713 L HA 0.212 4.552 4.340 0.000 0.000 0.269 713 L C 1.267 178.125 176.870 -0.020 0.000 1.179 713 L CA -0.042 54.767 54.840 -0.051 0.000 0.828 713 L CB 0.294 42.270 42.059 -0.138 0.000 1.106 713 L HN 0.854 nan 8.230 nan 0.000 0.467 714 Q N 0.270 120.042 119.800 -0.048 0.000 2.164 714 Q HA 0.124 4.464 4.340 0.000 0.000 0.226 714 Q C -0.280 175.652 176.000 -0.114 0.000 0.813 714 Q CA -0.094 55.680 55.803 -0.047 0.000 0.978 714 Q CB 1.237 29.970 28.738 -0.009 0.000 1.149 714 Q HN 0.845 nan 8.270 nan 0.000 0.489 715 T N -3.877 110.595 114.554 -0.137 0.000 2.924 715 T HA 0.373 4.723 4.350 0.000 0.000 0.291 715 T C -2.273 172.386 174.700 -0.069 0.000 1.045 715 T CA -1.937 60.064 62.100 -0.165 0.000 1.015 715 T CB 1.720 70.513 68.868 -0.125 0.000 1.103 715 T HN -0.303 nan 8.240 nan 0.000 0.496 716 P HA -0.013 nan 4.420 nan 0.000 0.216 716 P C 0.738 178.084 177.300 0.077 0.000 1.153 716 P CA 1.358 64.500 63.100 0.070 0.000 0.858 716 P CB -0.069 31.724 31.700 0.156 0.000 0.789 717 T N -5.506 109.102 114.554 0.091 0.000 2.916 717 T HA 0.489 4.839 4.350 0.000 0.000 0.292 717 T C -0.226 174.451 174.700 -0.038 0.000 1.064 717 T CA -0.901 61.238 62.100 0.065 0.000 1.011 717 T CB 1.511 70.472 68.868 0.155 0.000 1.152 717 T HN -0.155 nan 8.240 nan 0.000 0.510 718 S N 0.405 116.061 115.700 -0.073 0.000 2.533 718 S HA 0.301 4.771 4.470 0.000 0.000 0.282 718 S C 0.318 174.917 174.600 -0.002 0.000 1.304 718 S CA -0.696 57.382 58.200 -0.204 0.000 1.063 718 S CB -0.694 62.366 63.200 -0.234 0.000 0.881 718 S HN 0.610 nan 8.310 nan 0.000 0.493 719 L N 4.953 126.081 121.223 -0.158 0.000 3.202 719 L HA 0.378 4.718 4.340 0.000 0.000 0.278 719 L C -0.940 176.121 176.870 0.319 0.000 1.268 719 L CA -0.351 54.519 54.840 0.050 0.000 1.034 719 L CB 0.094 41.965 42.059 -0.314 0.000 1.407 719 L HN 0.523 nan 8.230 nan 0.000 0.581 720 F N 0.601 120.682 119.950 0.219 0.000 2.390 720 F HA 0.329 4.856 4.527 0.000 0.000 0.361 720 F C 1.477 177.469 175.800 0.320 0.000 1.124 720 F CA -1.093 57.013 58.000 0.176 0.000 1.149 720 F CB 0.934 39.981 39.000 0.079 0.000 1.160 720 F HN -0.002 nan 8.300 nan 0.000 0.501 721 A N 2.457 125.595 122.820 0.530 0.000 1.948 721 A HA -0.204 4.117 4.320 0.000 0.000 0.220 721 A C 2.326 180.131 177.584 0.369 0.000 1.177 721 A CA 2.286 54.594 52.037 0.452 0.000 0.636 721 A CB -0.688 18.512 19.000 0.335 0.000 0.815 721 A HN 0.649 nan 8.150 nan 0.000 0.449 722 S N -0.231 115.658 115.700 0.315 0.000 2.419 722 S HA -0.122 4.348 4.470 0.000 0.000 0.233 722 S C 1.444 176.182 174.600 0.229 0.000 1.016 722 S CA 1.089 59.485 58.200 0.327 0.000 0.974 722 S CB -0.374 63.041 63.200 0.360 0.000 0.786 722 S HN 0.574 nan 8.310 nan 0.000 0.492 723 D N 0.025 120.514 120.400 0.150 0.000 2.309 723 D HA -0.053 4.587 4.640 0.000 0.000 0.212 723 D C 0.387 176.473 176.300 -0.357 0.000 0.968 723 D CA 0.980 54.917 54.000 -0.105 0.000 0.882 723 D CB 0.014 40.640 40.800 -0.290 0.000 0.918 723 D HN 0.529 nan 8.370 nan 0.000 0.503 724 Y N -1.166 119.162 120.300 0.046 0.000 2.584 724 Y HA 0.338 4.888 4.550 0.000 0.000 0.254 724 Y C 1.667 177.372 175.900 -0.326 0.000 1.177 724 Y CA 0.003 58.059 58.100 -0.074 0.000 1.216 724 Y CB 0.926 39.383 38.460 -0.005 0.000 1.172 724 Y HN -0.065 nan 8.280 nan 0.000 0.529 725 G N -0.388 108.304 108.800 -0.180 0.000 2.136 725 G HA2 -0.314 3.646 3.960 0.000 0.000 0.242 725 G HA3 -0.314 3.646 3.960 0.000 0.000 0.242 725 G C -0.619 173.749 174.900 -0.887 0.000 0.989 725 G CA -0.333 44.503 45.100 -0.440 0.000 0.682 725 G HN 0.292 nan 8.290 nan 0.000 0.522 726 Y N 0.412 120.436 120.300 -0.460 0.000 2.417 726 Y HA 0.615 5.165 4.550 0.000 0.000 0.336 726 Y C 1.068 176.740 175.900 -0.380 0.000 0.961 726 Y CA -0.780 57.100 58.100 -0.366 0.000 1.215 726 Y CB 1.113 39.478 38.460 -0.159 0.000 1.120 726 Y HN 0.353 nan 8.280 nan 0.000 0.499 727 H N -0.426 118.740 119.070 0.161 0.000 2.893 727 H HA 0.249 4.805 4.556 0.000 0.000 0.270 727 H C 0.314 175.671 175.328 0.048 0.000 1.095 727 H CA -0.035 56.062 56.048 0.080 0.000 1.186 727 H CB 1.243 31.017 29.762 0.019 0.000 1.562 727 H HN 0.484 nan 8.280 nan 0.000 0.536 728 T N 0.130 114.762 114.554 0.130 0.000 2.916 728 T HA 0.518 4.868 4.350 0.000 0.000 0.305 728 T C 0.189 174.935 174.700 0.078 0.000 1.119 728 T CA 0.189 62.340 62.100 0.086 0.000 1.008 728 T CB 1.174 70.069 68.868 0.046 0.000 1.129 728 T HN 0.666 nan 8.240 nan 0.000 0.480 729 G N 1.996 110.848 108.800 0.087 0.000 2.698 729 G HA2 0.266 4.226 3.960 0.000 0.000 0.233 729 G HA3 0.266 4.226 3.960 0.000 0.000 0.233 729 G C 0.273 175.242 174.900 0.114 0.000 1.352 729 G CA -0.175 44.986 45.100 0.102 0.000 0.879 729 G HN 1.694 nan 8.290 nan 0.000 0.567 730 A N -0.638 122.254 122.820 0.120 0.000 2.546 730 A HA 0.512 4.832 4.320 0.000 0.000 0.243 730 A C 0.578 178.187 177.584 0.040 0.000 1.063 730 A CA 0.768 52.881 52.037 0.126 0.000 0.757 730 A CB -0.175 18.871 19.000 0.077 0.000 0.991 730 A HN 1.335 nan 8.150 nan 0.000 0.503 731 L N 2.560 123.841 121.223 0.097 0.000 2.346 731 L HA 0.562 4.902 4.340 0.000 0.000 0.276 731 L C -0.960 175.945 176.870 0.059 0.000 1.006 731 L CA -0.649 54.196 54.840 0.008 0.000 0.817 731 L CB 1.650 43.803 42.059 0.156 0.000 1.272 731 L HN 0.545 nan 8.230 nan 0.000 0.421 732 L N 3.048 124.179 121.223 -0.152 0.000 2.365 732 L HA 0.596 4.936 4.340 0.000 0.000 0.273 732 L C -0.967 175.886 176.870 -0.029 0.000 1.000 732 L CA 0.035 54.905 54.840 0.051 0.000 0.819 732 L CB 1.751 43.862 42.059 0.086 0.000 1.284 732 L HN 0.226 nan 8.230 nan 0.000 0.418 733 F N 1.545 121.640 119.950 0.242 0.000 2.520 733 F HA 0.675 5.202 4.527 0.000 0.000 0.322 733 F C 0.046 176.042 175.800 0.327 0.000 1.103 733 F CA -0.723 57.459 58.000 0.305 0.000 0.926 733 F CB 1.929 41.048 39.000 0.199 0.000 1.154 733 F HN 0.213 nan 8.300 nan 0.000 0.453 734 R N 1.190 121.945 120.500 0.425 0.000 2.451 734 R HA 0.580 4.920 4.340 0.000 0.000 0.307 734 R C -0.344 175.844 176.300 -0.186 0.000 0.965 734 R CA -0.788 55.313 56.100 0.002 0.000 0.865 734 R CB 1.914 32.024 30.300 -0.317 0.000 1.174 734 R HN 0.857 nan 8.270 nan 0.000 0.455 735 G N 3.016 111.403 108.800 -0.688 0.000 2.377 735 G HA2 0.235 4.195 3.960 0.000 0.000 0.316 735 G HA3 0.235 4.195 3.960 0.000 0.000 0.316 735 G C -0.493 173.939 174.900 -0.780 0.000 1.115 735 G CA -0.354 43.917 45.100 -1.381 0.000 0.952 735 G HN 0.559 nan 8.290 nan 0.000 0.441 736 H N 2.042 120.850 119.070 -0.435 0.000 2.502 736 H HA 0.503 5.059 4.556 0.000 0.000 0.327 736 H C -0.442 174.850 175.328 -0.060 0.000 1.099 736 H CA 0.254 56.163 56.048 -0.233 0.000 1.323 736 H CB 1.657 31.292 29.762 -0.212 0.000 1.450 736 H HN 0.582 nan 8.280 nan 0.000 0.502 737 F N -1.254 118.643 119.950 -0.089 0.000 2.741 737 F HA 0.363 4.890 4.527 0.000 0.000 0.311 737 F C -1.307 174.501 175.800 0.013 0.000 1.149 737 F CA -0.988 56.981 58.000 -0.051 0.000 0.930 737 F CB 1.106 40.056 39.000 -0.083 0.000 1.312 737 F HN 0.154 nan 8.300 nan 0.000 0.450 738 T N 2.532 117.168 114.554 0.138 0.000 2.758 738 T HA 0.722 5.072 4.350 0.000 0.000 0.285 738 T C 0.104 174.960 174.700 0.261 0.000 0.981 738 T CA -0.185 61.943 62.100 0.047 0.000 0.965 738 T CB 1.080 69.974 68.868 0.042 0.000 0.927 738 T HN 0.938 nan 8.240 nan 0.000 0.448 739 A N 3.225 126.189 122.820 0.240 0.000 2.425 739 A HA 0.362 4.682 4.320 0.000 0.000 0.242 739 A C 1.097 178.807 177.584 0.210 0.000 1.077 739 A CA -0.536 51.714 52.037 0.355 0.000 0.781 739 A CB 0.075 19.273 19.000 0.331 0.000 1.020 739 A HN 0.888 nan 8.150 nan 0.000 0.494 740 N N 0.168 118.972 118.700 0.173 0.000 2.171 740 N HA 0.288 5.028 4.740 0.000 0.000 0.212 740 N C 0.864 176.424 175.510 0.084 0.000 1.184 740 N CA 0.826 53.941 53.050 0.108 0.000 0.888 740 N CB 0.520 39.061 38.487 0.090 0.000 1.038 740 N HN 1.537 nan 8.380 nan 0.000 0.517 741 G N 0.731 109.586 108.800 0.091 0.000 2.199 741 G HA2 -0.355 3.605 3.960 0.000 0.000 0.254 741 G HA3 -0.355 3.605 3.960 0.000 0.000 0.254 741 G C 0.799 175.726 174.900 0.045 0.000 0.982 741 G CA 0.565 45.703 45.100 0.063 0.000 0.632 741 G HN 0.460 nan 8.290 nan 0.000 0.529 742 K N 0.408 120.836 120.400 0.047 0.000 2.404 742 K HA 0.220 4.540 4.320 0.000 0.000 0.194 742 K C 0.447 177.065 176.600 0.029 0.000 1.023 742 K CA 0.080 56.387 56.287 0.034 0.000 1.094 742 K CB 0.288 32.807 32.500 0.032 0.000 0.841 742 K HN 0.474 nan 8.250 nan 0.000 0.523 743 E N 1.167 121.385 120.200 0.032 0.000 2.413 743 E HA 0.002 4.352 4.350 0.000 0.000 0.263 743 E C 0.467 177.079 176.600 0.020 0.000 1.015 743 E CA 0.633 57.045 56.400 0.020 0.000 0.916 743 E CB 0.706 30.413 29.700 0.012 0.000 0.947 743 E HN 0.020 nan 8.360 nan 0.000 0.440 744 K N 0.062 120.480 120.400 0.031 0.000 2.770 744 K HA 0.104 4.424 4.320 0.000 0.000 0.195 744 K C -0.090 176.546 176.600 0.060 0.000 1.515 744 K CA 0.484 56.792 56.287 0.035 0.000 1.199 744 K CB 0.976 33.494 32.500 0.029 0.000 1.681 744 K HN 0.653 nan 8.250 nan 0.000 0.586 745 T N -1.637 112.968 114.554 0.086 0.000 2.896 745 T HA 0.598 4.948 4.350 0.000 0.000 0.297 745 T C -1.458 173.380 174.700 0.230 0.000 1.108 745 T CA -0.693 61.491 62.100 0.139 0.000 1.004 745 T CB 1.885 70.815 68.868 0.103 0.000 1.159 745 T HN 0.000 nan 8.240 nan 0.000 0.499 746 F N 2.805 122.821 119.950 0.111 0.000 2.500 746 F HA 0.667 5.195 4.527 0.000 0.000 0.349 746 F C -1.461 174.464 175.800 0.208 0.000 1.127 746 F CA -2.197 55.883 58.000 0.133 0.000 0.998 746 F CB 1.052 40.106 39.000 0.089 0.000 1.237 746 F HN 0.743 nan 8.300 nan 0.000 0.439 747 F N 7.006 126.723 119.950 -0.389 0.000 2.385 747 F HA 0.742 5.269 4.527 0.000 0.000 0.336 747 F C -1.477 173.963 175.800 -0.600 0.000 1.100 747 F CA -0.716 57.063 58.000 -0.368 0.000 1.116 747 F CB 1.297 40.158 39.000 -0.231 0.000 1.166 747 F HN 0.331 nan 8.300 nan 0.000 0.511 748 V N 5.933 124.930 119.914 -1.527 0.000 3.000 748 V HA 0.326 4.446 4.120 0.000 0.000 0.300 748 V C -1.781 173.722 176.094 -0.985 0.000 1.251 748 V CA -0.479 61.142 62.300 -1.131 0.000 0.972 748 V CB 2.042 33.513 31.823 -0.587 0.000 1.065 748 V HN 0.925 nan 8.190 nan 0.000 0.431 749 Q N 3.603 123.008 119.800 -0.659 0.000 2.341 749 Q HA 0.712 5.052 4.340 0.000 0.000 0.268 749 Q C -0.660 175.210 176.000 -0.218 0.000 1.013 749 Q CA -0.374 55.213 55.803 -0.360 0.000 0.798 749 Q CB 1.897 30.509 28.738 -0.210 0.000 1.253 749 Q HN 0.977 nan 8.270 nan 0.000 0.457 750 T N 0.887 115.377 114.554 -0.108 0.000 2.950 750 T HA 0.656 5.006 4.350 0.000 0.000 0.288 750 T C -0.698 173.937 174.700 -0.108 0.000 1.035 750 T CA -0.895 61.172 62.100 -0.055 0.000 1.028 750 T CB 1.883 70.842 68.868 0.152 0.000 1.109 750 T HN 0.560 nan 8.240 nan 0.000 0.514 751 K N -0.233 120.005 120.400 -0.271 0.000 2.581 751 K HA 0.568 4.888 4.320 0.000 0.000 0.249 751 K C 0.037 176.264 176.600 -0.620 0.000 0.966 751 K CA -0.689 55.277 56.287 -0.535 0.000 0.811 751 K CB 1.233 33.533 32.500 -0.333 0.000 1.223 751 K HN 0.919 nan 8.250 nan 0.000 0.438 752 G N 1.881 110.008 108.800 -1.122 0.000 3.815 752 G HA2 0.488 4.448 3.960 0.000 0.000 0.265 752 G HA3 0.488 4.448 3.960 0.000 0.000 0.265 752 G C 0.203 174.947 174.900 -0.260 0.000 1.026 752 G CA 0.043 44.842 45.100 -0.502 0.000 0.868 752 G HN 1.070 nan 8.290 nan 0.000 0.476 753 G N -0.205 108.409 108.800 -0.310 0.000 2.662 753 G HA2 0.102 4.062 3.960 0.000 0.000 0.686 753 G HA3 0.102 4.062 3.960 0.000 0.000 0.686 753 G C -0.150 174.761 174.900 0.018 0.000 1.271 753 G CA -0.516 44.523 45.100 -0.102 0.000 0.816 753 G HN 0.697 nan 8.290 nan 0.000 0.608 754 T N 1.109 115.675 114.554 0.021 0.000 2.891 754 T HA 0.464 4.814 4.350 0.000 0.000 0.296 754 T C 1.635 176.315 174.700 -0.033 0.000 1.025 754 T CA 2.525 64.655 62.100 0.050 0.000 1.149 754 T CB 0.531 69.428 68.868 0.048 0.000 1.007 754 T HN 2.501 nan 8.240 nan 0.000 0.528 755 A N 2.070 124.859 122.820 -0.051 0.000 3.172 755 A HA -0.186 4.135 4.320 0.000 0.000 0.263 755 A C 0.378 177.741 177.584 -0.368 0.000 1.215 755 A CA 1.291 53.133 52.037 -0.325 0.000 1.065 755 A CB -2.804 15.745 19.000 -0.751 0.000 1.148 755 A HN 1.177 nan 8.150 nan 0.000 0.904 756 Y N -0.528 119.623 120.300 -0.248 0.000 2.258 756 Y HA 0.577 5.127 4.550 0.000 0.000 0.345 756 Y C 0.724 176.508 175.900 -0.194 0.000 1.303 756 Y CA -0.903 57.085 58.100 -0.186 0.000 1.537 756 Y CB 0.089 38.537 38.460 -0.019 0.000 1.383 756 Y HN 1.106 nan 8.280 nan 0.000 0.606 757 G N -0.030 108.391 108.800 -0.631 0.000 2.684 757 G HA2 0.539 4.499 3.960 0.000 0.000 0.290 757 G HA3 0.539 4.499 3.960 0.000 0.000 0.290 757 G C -2.064 172.707 174.900 -0.215 0.000 1.425 757 G CA -0.800 43.825 45.100 -0.792 0.000 0.822 757 G HN 1.286 nan 8.290 nan 0.000 0.482 758 H N -1.888 117.160 119.070 -0.037 0.000 3.008 758 H HA 0.828 5.384 4.556 0.000 0.000 0.354 758 H C -1.540 174.001 175.328 0.354 0.000 1.252 758 H CA -0.936 55.312 56.048 0.333 0.000 1.117 758 H CB 1.921 31.917 29.762 0.390 0.000 1.857 758 H HN 0.479 nan 8.280 nan 0.000 0.547 759 S N 1.179 117.352 115.700 0.789 0.000 2.540 759 S HA 0.541 5.011 4.470 0.000 0.000 0.275 759 S C -0.678 174.077 174.600 0.258 0.000 1.123 759 S CA -0.688 57.810 58.200 0.498 0.000 0.907 759 S CB 1.499 65.136 63.200 0.729 0.000 1.081 759 S HN 0.486 nan 8.310 nan 0.000 0.476 760 I N 1.675 122.108 120.570 -0.228 0.000 2.647 760 I HA 0.567 4.737 4.170 0.000 0.000 0.295 760 I C -1.095 174.741 176.117 -0.467 0.000 1.078 760 I CA -0.555 60.617 61.300 -0.214 0.000 1.048 760 I CB 1.836 39.631 38.000 -0.341 0.000 1.239 760 I HN 0.424 nan 8.210 nan 0.000 0.421 761 W N 5.432 126.669 121.300 -0.105 0.000 3.033 761 W HA 0.562 5.222 4.660 0.000 0.000 0.336 761 W C -1.126 175.313 176.519 -0.133 0.000 1.173 761 W CA -0.726 56.569 57.345 -0.085 0.000 1.185 761 W CB 2.453 31.904 29.460 -0.016 0.000 1.425 761 W HN 0.230 nan 8.180 nan 0.000 0.536 762 I N 4.088 124.720 120.570 0.103 0.000 2.448 762 I HA 0.172 4.342 4.170 0.000 0.000 0.281 762 I C 0.057 176.219 176.117 0.074 0.000 1.027 762 I CA 0.248 61.555 61.300 0.011 0.000 1.111 762 I CB 0.087 38.047 38.000 -0.066 0.000 1.236 762 I HN 0.696 nan 8.210 nan 0.000 0.452 763 N N 4.083 122.805 118.700 0.036 0.000 1.258 763 N HA -0.317 4.423 4.740 0.000 0.000 0.141 763 N C 0.277 175.818 175.510 0.050 0.000 0.811 763 N CA 2.075 55.136 53.050 0.018 0.000 0.960 763 N CB -0.465 38.057 38.487 0.059 0.000 1.205 763 N HN 0.728 nan 8.380 nan 0.000 0.527 764 E N -0.372 119.867 120.200 0.066 0.000 2.479 764 E HA 0.117 4.467 4.350 0.000 0.000 0.193 764 E C -0.370 176.368 176.600 0.230 0.000 1.049 764 E CA 0.482 56.935 56.400 0.089 0.000 0.870 764 E CB 0.171 29.894 29.700 0.039 0.000 0.944 764 E HN 0.318 nan 8.360 nan 0.000 0.492 765 T N 1.400 116.090 114.554 0.227 0.000 2.743 765 T HA 0.076 4.426 4.350 0.000 0.000 0.293 765 T C -0.541 174.303 174.700 0.239 0.000 0.945 765 T CA -0.446 61.786 62.100 0.221 0.000 1.030 765 T CB 0.295 69.226 68.868 0.105 0.000 0.912 765 T HN 0.044 nan 8.240 nan 0.000 0.483 766 Y N 3.896 124.223 120.300 0.046 0.000 2.526 766 Y HA 0.191 4.741 4.550 0.000 0.000 0.330 766 Y C 0.762 176.474 175.900 -0.313 0.000 1.156 766 Y CA -0.065 57.795 58.100 -0.401 0.000 1.419 766 Y CB 0.379 38.662 38.460 -0.295 0.000 1.250 766 Y HN 0.430 nan 8.280 nan 0.000 0.540 767 V N 4.338 123.646 119.914 -1.010 0.000 2.806 767 V HA 0.458 4.579 4.120 0.000 0.000 0.239 767 V C 0.884 176.368 176.094 -1.017 0.000 1.113 767 V CA 0.882 62.718 62.300 -0.773 0.000 1.137 767 V CB -0.052 31.414 31.823 -0.595 0.000 0.865 767 V HN 1.071 nan 8.190 nan 0.000 0.482 768 G N -1.002 106.886 108.800 -1.520 0.000 2.321 768 G HA2 0.454 4.414 3.960 0.000 0.000 0.298 768 G HA3 0.454 4.414 3.960 0.000 0.000 0.298 768 G C -1.451 173.154 174.900 -0.491 0.000 1.385 768 G CA -0.102 44.438 45.100 -0.933 0.000 0.856 768 G HN 0.059 nan 8.290 nan 0.000 0.584 769 S N -0.558 115.133 115.700 -0.016 0.000 2.549 769 S HA 0.692 5.162 4.470 0.000 0.000 0.280 769 S C -1.415 173.223 174.600 0.063 0.000 1.109 769 S CA -0.636 57.620 58.200 0.094 0.000 0.905 769 S CB 2.046 65.318 63.200 0.120 0.000 1.081 769 S HN 0.751 nan 8.310 nan 0.000 0.477 770 W N 3.100 124.142 121.300 -0.429 0.000 2.296 770 W HA 0.518 5.178 4.660 0.000 0.000 0.316 770 W C 0.242 176.447 176.519 -0.524 0.000 1.022 770 W CA -0.875 56.139 57.345 -0.552 0.000 1.324 770 W CB 1.004 29.870 29.460 -0.990 0.000 1.227 770 W HN 0.850 nan 8.180 nan 0.000 0.409 771 A N 4.930 127.166 122.820 -0.973 0.000 2.167 771 A HA 0.357 4.677 4.320 0.000 0.000 0.214 771 A C 1.098 177.936 177.584 -1.244 0.000 1.151 771 A CA 1.211 52.680 52.037 -0.947 0.000 0.735 771 A CB -0.861 17.758 19.000 -0.636 0.000 0.802 771 A HN 1.345 nan 8.150 nan 0.000 0.467 772 G N -1.748 105.789 108.800 -2.105 0.000 2.758 772 G HA2 0.280 4.240 3.960 0.000 0.000 0.686 772 G HA3 0.280 4.240 3.960 0.000 0.000 0.686 772 G C -0.157 174.236 174.900 -0.844 0.000 1.389 772 G CA 0.064 44.276 45.100 -1.479 0.000 0.845 772 G HN 1.937 nan 8.290 nan 0.000 0.572 773 T N -3.383 110.948 114.554 -0.371 0.000 2.816 773 T HA 0.774 5.124 4.350 0.000 0.000 0.299 773 T C 1.473 176.122 174.700 -0.085 0.000 1.230 773 T CA 0.689 62.673 62.100 -0.192 0.000 1.007 773 T CB 1.205 70.047 68.868 -0.043 0.000 1.289 773 T HN 2.209 nan 8.240 nan 0.000 0.508 774 S N 0.421 116.094 115.700 -0.045 0.000 2.547 774 S HA -0.007 4.463 4.470 0.000 0.000 0.235 774 S C 1.551 176.184 174.600 0.055 0.000 0.980 774 S CA 0.819 59.034 58.200 0.024 0.000 0.941 774 S CB -1.086 62.138 63.200 0.041 0.000 0.763 774 S HN 0.903 nan 8.310 nan 0.000 0.532 775 I N -2.547 118.057 120.570 0.058 0.000 4.081 775 I HA 0.482 4.652 4.170 0.000 0.000 0.333 775 I C -0.682 175.493 176.117 0.096 0.000 1.413 775 I CA -0.867 60.475 61.300 0.070 0.000 1.110 775 I CB -0.193 37.841 38.000 0.057 0.000 1.082 775 I HN -0.051 nan 8.210 nan 0.000 0.402 776 N N 2.351 121.141 118.700 0.148 0.000 2.392 776 N HA 0.226 4.966 4.740 0.000 0.000 0.283 776 N C -0.089 175.576 175.510 0.259 0.000 1.003 776 N CA -0.460 52.719 53.050 0.214 0.000 0.892 776 N CB 1.390 40.109 38.487 0.386 0.000 1.193 776 N HN 0.239 nan 8.380 nan 0.000 0.487 777 D N 0.333 120.832 120.400 0.165 0.000 2.441 777 D HA 0.003 4.643 4.640 0.000 0.000 0.210 777 D C -0.336 175.920 176.300 -0.073 0.000 1.102 777 D CA 0.190 54.238 54.000 0.080 0.000 0.840 777 D CB 0.072 40.860 40.800 -0.021 0.000 0.990 777 D HN 0.549 nan 8.370 nan 0.000 0.505 778 N N -0.635 118.111 118.700 0.078 0.000 2.825 778 N HA 0.330 5.070 4.740 0.000 0.000 0.253 778 N C -1.824 173.683 175.510 -0.004 0.000 1.426 778 N CA -0.619 52.419 53.050 -0.020 0.000 0.851 778 N CB 1.659 40.076 38.487 -0.116 0.000 1.470 778 N HN -0.012 nan 8.380 nan 0.000 0.517 779 N N -0.493 118.135 118.700 -0.119 0.000 2.371 779 N HA 0.352 5.092 4.740 0.000 0.000 0.280 779 N C -2.096 173.239 175.510 -0.292 0.000 1.084 779 N CA -0.484 52.297 53.050 -0.449 0.000 0.892 779 N CB 1.461 39.254 38.487 -1.158 0.000 1.653 779 N HN 0.462 nan 8.380 nan 0.000 0.480 780 N N 1.381 119.911 118.700 -0.282 0.000 2.400 780 N HA 0.746 5.486 4.740 0.000 0.000 0.288 780 N C -1.420 173.966 175.510 -0.207 0.000 1.024 780 N CA -0.376 52.570 53.050 -0.175 0.000 0.894 780 N CB 1.872 40.384 38.487 0.042 0.000 1.173 780 N HN 0.623 nan 8.380 nan 0.000 0.487 781 A N 1.088 123.732 122.820 -0.293 0.000 2.547 781 A HA 0.590 4.910 4.320 0.000 0.000 0.297 781 A C -0.841 176.523 177.584 -0.366 0.000 1.056 781 A CA -0.628 51.176 52.037 -0.388 0.000 0.688 781 A CB 1.172 19.783 19.000 -0.649 0.000 1.282 781 A HN 0.387 nan 8.150 nan 0.000 0.400 782 T N 2.718 117.122 114.554 -0.250 0.000 2.821 782 T HA 0.516 4.866 4.350 0.000 0.000 0.307 782 T C -1.159 173.427 174.700 -0.189 0.000 1.034 782 T CA 0.274 62.331 62.100 -0.070 0.000 0.953 782 T CB -0.338 68.551 68.868 0.036 0.000 0.968 782 T HN 0.373 nan 8.240 nan 0.000 0.462 783 Y N 2.248 122.596 120.300 0.080 0.000 2.323 783 Y HA 0.422 4.973 4.550 0.000 0.000 0.331 783 Y C 1.523 177.468 175.900 0.075 0.000 1.092 783 Y CA -1.060 57.082 58.100 0.071 0.000 1.150 783 Y CB 0.842 39.354 38.460 0.088 0.000 1.200 783 Y HN 0.565 nan 8.280 nan 0.000 0.472 784 T N 1.725 116.396 114.554 0.196 0.000 2.904 784 T HA 0.710 5.060 4.350 0.000 0.000 0.290 784 T C -0.391 174.370 174.700 0.102 0.000 1.018 784 T CA -0.759 61.413 62.100 0.119 0.000 1.075 784 T CB 0.723 69.635 68.868 0.073 0.000 0.986 784 T HN 0.498 nan 8.240 nan 0.000 0.523 785 L N 2.047 123.308 121.223 0.063 0.000 2.323 785 L HA 0.606 4.946 4.340 0.000 0.000 0.265 785 L C -1.840 175.026 176.870 -0.006 0.000 1.012 785 L CA -2.540 52.310 54.840 0.016 0.000 0.820 785 L CB 1.851 43.911 42.059 0.001 0.000 1.334 785 L HN 0.603 nan 8.230 nan 0.000 0.427 786 P HA 0.151 nan 4.420 nan 0.000 0.276 786 P C -0.637 176.636 177.300 -0.044 0.000 1.244 786 P CA -0.395 62.691 63.100 -0.023 0.000 0.801 786 P CB 0.521 32.210 31.700 -0.019 0.000 1.006 787 T N 1.475 116.016 114.554 -0.023 0.000 2.946 787 T HA 0.199 4.549 4.350 0.000 0.000 0.311 787 T C 0.419 175.086 174.700 -0.055 0.000 1.063 787 T CA 0.268 62.354 62.100 -0.024 0.000 1.139 787 T CB -0.186 68.684 68.868 0.002 0.000 0.994 787 T HN 0.187 nan 8.240 nan 0.000 0.547 788 L N 2.377 123.557 121.223 -0.071 0.000 2.333 788 L HA 0.508 4.848 4.340 0.000 0.000 0.269 788 L C 0.195 177.102 176.870 0.060 0.000 1.010 788 L CA -1.056 53.717 54.840 -0.111 0.000 0.818 788 L CB 1.893 43.747 42.059 -0.342 0.000 1.306 788 L HN 0.564 nan 8.230 nan 0.000 0.430 789 Q N 1.488 121.408 119.800 0.199 0.000 2.296 789 Q HA 0.232 4.572 4.340 0.000 0.000 0.257 789 Q C -0.305 175.791 176.000 0.159 0.000 0.942 789 Q CA -0.306 55.589 55.803 0.153 0.000 0.939 789 Q CB 1.683 30.495 28.738 0.124 0.000 1.198 789 Q HN 0.642 nan 8.270 nan 0.000 0.429 790 S N 2.921 118.682 115.700 0.102 0.000 2.552 790 S HA 0.318 4.788 4.470 0.000 0.000 0.289 790 S C 1.057 175.694 174.600 0.063 0.000 1.304 790 S CA 1.253 59.507 58.200 0.090 0.000 1.063 790 S CB -0.035 63.203 63.200 0.063 0.000 0.848 790 S HN 1.100 nan 8.310 nan 0.000 0.499 791 G N 4.070 112.904 108.800 0.056 0.000 2.241 791 G HA2 -0.205 3.755 3.960 0.000 0.000 0.244 791 G HA3 -0.205 3.755 3.960 0.000 0.000 0.244 791 G C 0.058 174.938 174.900 -0.034 0.000 0.998 791 G CA 0.270 45.377 45.100 0.013 0.000 0.621 791 G HN 0.720 nan 8.290 nan 0.000 0.519 792 K N 0.769 121.141 120.400 -0.047 0.000 2.098 792 K HA 0.445 4.765 4.320 0.000 0.000 0.258 792 K C -0.349 176.041 176.600 -0.350 0.000 0.973 792 K CA -0.794 55.366 56.287 -0.212 0.000 0.898 792 K CB 0.529 32.854 32.500 -0.292 0.000 1.057 792 K HN 0.147 nan 8.250 nan 0.000 0.447 793 N N 1.640 120.056 118.700 -0.473 0.000 2.498 793 N HA 0.272 5.012 4.740 0.000 0.000 0.287 793 N C -1.045 173.984 175.510 -0.803 0.000 1.097 793 N CA 0.001 52.756 53.050 -0.491 0.000 0.973 793 N CB 0.712 39.018 38.487 -0.302 0.000 1.153 793 N HN 0.358 nan 8.380 nan 0.000 0.472 794 Y N -0.744 119.178 120.300 -0.630 0.000 2.605 794 Y HA 0.561 5.112 4.550 0.000 0.000 0.343 794 Y C -0.209 175.325 175.900 -0.611 0.000 1.036 794 Y CA -1.018 56.705 58.100 -0.628 0.000 1.065 794 Y CB 1.879 39.858 38.460 -0.802 0.000 1.288 794 Y HN 0.143 nan 8.280 nan 0.000 0.481 795 V N 3.819 123.575 119.914 -0.264 0.000 2.623 795 V HA 0.549 4.669 4.120 0.000 0.000 0.304 795 V C -1.256 174.680 176.094 -0.263 0.000 1.054 795 V CA -0.694 61.364 62.300 -0.402 0.000 0.882 795 V CB 1.298 32.785 31.823 -0.559 0.000 1.002 795 V HN 0.669 nan 8.190 nan 0.000 0.424 796 I N 6.047 126.435 120.570 -0.303 0.000 2.304 796 I HA 0.357 4.527 4.170 0.000 0.000 0.291 796 I C 0.161 176.188 176.117 -0.149 0.000 1.018 796 I CA -0.028 61.119 61.300 -0.254 0.000 1.260 796 I CB 1.702 39.421 38.000 -0.469 0.000 1.390 796 I HN 0.545 nan 8.210 nan 0.000 0.475 797 T N 6.230 120.774 114.554 -0.017 0.000 2.749 797 T HA 0.408 4.758 4.350 0.000 0.000 0.287 797 T C -0.133 174.704 174.700 0.228 0.000 0.970 797 T CA -0.421 61.734 62.100 0.092 0.000 0.980 797 T CB 1.322 70.216 68.868 0.043 0.000 0.924 797 T HN 0.172 nan 8.240 nan 0.000 0.456 798 V N 4.577 124.663 119.914 0.287 0.000 2.378 798 V HA 0.400 4.520 4.120 0.000 0.000 0.288 798 V C -0.082 176.233 176.094 0.367 0.000 1.016 798 V CA -0.832 61.644 62.300 0.292 0.000 0.840 798 V CB 1.600 33.554 31.823 0.219 0.000 0.994 798 V HN 0.686 nan 8.190 nan 0.000 0.431 799 V N 6.720 126.868 119.914 0.390 0.000 2.370 799 V HA 0.528 4.648 4.120 0.000 0.000 0.279 799 V C -0.134 176.288 176.094 0.547 0.000 1.029 799 V CA -0.324 62.184 62.300 0.347 0.000 0.870 799 V CB 1.499 33.399 31.823 0.129 0.000 0.984 799 V HN 0.686 nan 8.190 nan 0.000 0.451 800 I N 3.328 124.205 120.570 0.512 0.000 2.436 800 I HA 0.383 4.553 4.170 0.000 0.000 0.289 800 I C -0.665 175.783 176.117 0.553 0.000 1.010 800 I CA -0.556 61.100 61.300 0.594 0.000 1.098 800 I CB 2.083 40.367 38.000 0.473 0.000 1.266 800 I HN 0.477 nan 8.210 nan 0.000 0.434 801 D N 5.444 126.204 120.400 0.601 0.000 2.325 801 D HA 0.076 4.716 4.640 0.000 0.000 0.251 801 D C -0.315 176.174 176.300 0.315 0.000 1.196 801 D CA 0.025 54.291 54.000 0.443 0.000 0.866 801 D CB 0.636 41.598 40.800 0.271 0.000 1.101 801 D HN 0.325 nan 8.370 nan 0.000 0.476 802 N N 3.954 122.793 118.700 0.232 0.000 2.419 802 N HA 0.061 4.801 4.740 0.000 0.000 0.264 802 N C 0.344 175.928 175.510 0.124 0.000 1.031 802 N CA -0.295 52.847 53.050 0.153 0.000 0.951 802 N CB 0.723 39.289 38.487 0.133 0.000 1.101 802 N HN 0.321 nan 8.380 nan 0.000 0.488 803 M N 1.895 121.551 119.600 0.093 0.000 2.494 803 M HA 0.305 4.785 4.480 0.000 0.000 0.232 803 M C 0.821 177.190 176.300 0.114 0.000 1.137 803 M CA -0.106 55.255 55.300 0.101 0.000 1.012 803 M CB -1.244 31.383 32.600 0.045 0.000 1.567 803 M HN 0.665 nan 8.290 nan 0.000 0.486 804 G N 0.832 109.676 108.800 0.074 0.000 2.479 804 G HA2 -0.020 3.940 3.960 0.000 0.000 0.686 804 G HA3 -0.020 3.940 3.960 0.000 0.000 0.686 804 G C -1.276 173.636 174.900 0.021 0.000 1.295 804 G CA -1.162 43.967 45.100 0.049 0.000 0.922 804 G HN 0.226 nan 8.290 nan 0.000 0.582 805 L N 0.794 122.016 121.223 -0.002 0.000 2.343 805 L HA 0.431 4.771 4.340 0.000 0.000 0.275 805 L C 0.149 177.022 176.870 0.005 0.000 1.056 805 L CA -1.144 53.684 54.840 -0.020 0.000 0.804 805 L CB 1.088 43.114 42.059 -0.054 0.000 1.203 805 L HN 0.530 nan 8.230 nan 0.000 0.440 806 D N 1.293 121.695 120.400 0.004 0.000 2.360 806 D HA 0.148 4.788 4.640 0.000 0.000 0.242 806 D C 0.081 176.423 176.300 0.070 0.000 1.184 806 D CA -0.156 53.869 54.000 0.042 0.000 0.930 806 D CB 0.865 41.677 40.800 0.020 0.000 1.161 806 D HN 0.454 nan 8.370 nan 0.000 0.447 807 E N -0.206 120.062 120.200 0.113 0.000 2.405 807 E HA 0.167 4.517 4.350 0.000 0.000 0.253 807 E C -0.457 176.249 176.600 0.176 0.000 1.257 807 E CA -0.270 56.216 56.400 0.144 0.000 0.960 807 E CB 0.516 30.290 29.700 0.122 0.000 1.077 807 E HN 0.230 nan 8.360 nan 0.000 0.512 808 D N -0.280 120.255 120.400 0.226 0.000 2.886 808 D HA 0.102 4.742 4.640 0.000 0.000 0.355 808 D C -0.095 176.172 176.300 -0.055 0.000 1.274 808 D CA -0.334 53.669 54.000 0.005 0.000 0.836 808 D CB -0.132 40.595 40.800 -0.122 0.000 1.109 808 D HN 0.461 nan 8.370 nan 0.000 0.488 809 W N 1.446 122.728 121.300 -0.030 0.000 2.318 809 W HA -0.069 4.591 4.660 0.000 0.000 0.313 809 W C 0.291 176.763 176.519 -0.080 0.000 1.221 809 W CA 1.161 58.502 57.345 -0.006 0.000 1.266 809 W CB -0.041 29.435 29.460 0.027 0.000 1.150 809 W HN 0.024 nan 8.180 nan 0.000 0.496 810 T N 2.334 116.829 114.554 -0.100 0.000 2.749 810 T HA 0.325 4.675 4.350 0.000 0.000 0.287 810 T C -0.070 174.476 174.700 -0.256 0.000 0.970 810 T CA -0.631 61.293 62.100 -0.293 0.000 0.980 810 T CB 0.898 69.674 68.868 -0.153 0.000 0.924 810 T HN -0.212 nan 8.240 nan 0.000 0.456 811 I N 3.062 123.427 120.570 -0.341 0.000 2.741 811 I HA 0.226 4.396 4.170 0.000 0.000 0.288 811 I C 1.524 177.528 176.117 -0.188 0.000 1.192 811 I CA 0.944 62.058 61.300 -0.310 0.000 1.426 811 I CB 0.044 37.855 38.000 -0.316 0.000 1.367 811 I HN 1.025 nan 8.210 nan 0.000 0.563 812 G N 3.926 112.590 108.800 -0.226 0.000 2.238 812 G HA2 -0.329 3.631 3.960 0.000 0.000 0.217 812 G HA3 -0.329 3.631 3.960 0.000 0.000 0.217 812 G C 1.061 175.907 174.900 -0.089 0.000 0.996 812 G CA 0.412 45.447 45.100 -0.109 0.000 0.632 812 G HN 0.683 nan 8.290 nan 0.000 0.503 813 S N 0.515 116.159 115.700 -0.093 0.000 2.406 813 S HA 0.097 4.567 4.470 0.000 0.000 0.228 813 S C 1.264 175.827 174.600 -0.061 0.000 1.020 813 S CA 1.566 59.733 58.200 -0.054 0.000 0.965 813 S CB -0.180 63.008 63.200 -0.020 0.000 0.798 813 S HN 0.964 nan 8.310 nan 0.000 0.488 814 E N 0.502 120.647 120.200 -0.091 0.000 2.722 814 E HA -0.202 4.148 4.350 0.000 0.000 0.265 814 E C -0.105 176.485 176.600 -0.016 0.000 1.081 814 E CA 0.958 57.310 56.400 -0.081 0.000 0.781 814 E CB -2.152 27.493 29.700 -0.092 0.000 1.372 814 E HN 0.646 nan 8.360 nan 0.000 0.423 815 D N 0.063 120.464 120.400 0.002 0.000 2.182 815 D HA -0.163 4.477 4.640 0.000 0.000 0.201 815 D C 1.777 178.094 176.300 0.027 0.000 0.986 815 D CA 0.948 54.966 54.000 0.031 0.000 0.847 815 D CB -0.154 40.674 40.800 0.047 0.000 0.942 815 D HN 0.323 nan 8.370 nan 0.000 0.467 816 M N 0.549 120.170 119.600 0.035 0.000 2.358 816 M HA -0.142 4.338 4.480 0.000 0.000 0.264 816 M C 0.969 177.258 176.300 -0.018 0.000 1.064 816 M CA 1.298 56.622 55.300 0.041 0.000 1.093 816 M CB -0.118 32.568 32.600 0.143 0.000 1.401 816 M HN -0.140 nan 8.290 nan 0.000 0.440 817 K N 0.487 120.877 120.400 -0.016 0.000 2.505 817 K HA 0.068 4.388 4.320 0.000 0.000 0.192 817 K C -0.031 176.511 176.600 -0.096 0.000 1.025 817 K CA -0.272 55.998 56.287 -0.028 0.000 1.086 817 K CB -0.177 32.339 32.500 0.026 0.000 0.840 817 K HN 0.311 nan 8.250 nan 0.000 0.514 818 N N 3.442 122.075 118.700 -0.111 0.000 2.434 818 N HA 0.008 4.748 4.740 0.000 0.000 0.268 818 N C -2.351 172.929 175.510 -0.383 0.000 1.256 818 N CA -0.550 52.322 53.050 -0.296 0.000 0.914 818 N CB 0.557 38.945 38.487 -0.164 0.000 1.088 818 N HN 0.125 nan 8.380 nan 0.000 0.478 819 P HA 0.183 nan 4.420 nan 0.000 0.274 819 P C -0.544 176.551 177.300 -0.341 0.000 1.256 819 P CA -0.290 62.462 63.100 -0.579 0.000 0.795 819 P CB 1.059 31.982 31.700 -1.294 0.000 1.038 820 R N 0.392 120.800 120.500 -0.153 0.000 2.476 820 R HA 0.708 5.048 4.340 0.000 0.000 0.305 820 R C 0.538 176.896 176.300 0.097 0.000 0.965 820 R CA -0.322 55.752 56.100 -0.043 0.000 0.867 820 R CB 1.223 31.546 30.300 0.038 0.000 1.176 820 R HN 0.976 nan 8.270 nan 0.000 0.447 821 G N 2.197 111.011 108.800 0.022 0.000 2.292 821 G HA2 -0.010 3.950 3.960 0.000 0.000 0.194 821 G HA3 -0.010 3.950 3.960 0.000 0.000 0.194 821 G C -1.265 173.435 174.900 -0.332 0.000 1.329 821 G CA -0.968 44.093 45.100 -0.064 0.000 1.100 821 G HN 0.357 nan 8.290 nan 0.000 0.470 822 I N 2.338 122.569 120.570 -0.566 0.000 2.321 822 I HA 0.316 4.486 4.170 0.000 0.000 0.291 822 I C 1.042 177.069 176.117 -0.150 0.000 0.998 822 I CA -0.839 60.196 61.300 -0.443 0.000 1.227 822 I CB 1.398 38.974 38.000 -0.706 0.000 1.368 822 I HN 0.361 nan 8.210 nan 0.000 0.466 823 I N 4.183 124.708 120.570 -0.075 0.000 2.731 823 I HA 0.129 4.299 4.170 0.000 0.000 0.260 823 I C 0.749 176.865 176.117 -0.002 0.000 1.138 823 I CA 0.987 62.321 61.300 0.057 0.000 1.461 823 I CB -0.535 37.480 38.000 0.024 0.000 1.128 823 I HN 0.618 nan 8.210 nan 0.000 0.438 824 Q N -0.103 119.657 119.800 -0.066 0.000 2.462 824 Q HA 0.541 4.881 4.340 0.000 0.000 0.285 824 Q C -1.695 174.254 176.000 -0.086 0.000 1.035 824 Q CA -0.669 55.102 55.803 -0.053 0.000 0.799 824 Q CB 3.379 32.167 28.738 0.084 0.000 1.452 824 Q HN 0.176 nan 8.270 nan 0.000 0.404 825 Y N -2.270 117.970 120.300 -0.101 0.000 2.620 825 Y HA 0.739 5.289 4.550 0.000 0.000 0.331 825 Y C -1.614 174.286 175.900 0.001 0.000 1.173 825 Y CA -0.840 57.137 58.100 -0.205 0.000 1.076 825 Y CB 1.505 39.889 38.460 -0.125 0.000 1.336 825 Y HN 0.510 nan 8.280 nan 0.000 0.459 826 S N 3.059 118.852 115.700 0.155 0.000 2.626 826 S HA 0.569 5.039 4.470 0.000 0.000 0.275 826 S C -2.513 172.212 174.600 0.207 0.000 1.175 826 S CA -0.539 57.762 58.200 0.168 0.000 0.982 826 S CB 0.991 64.254 63.200 0.105 0.000 1.093 826 S HN 0.990 nan 8.310 nan 0.000 0.472 827 L N 5.989 127.374 121.223 0.271 0.000 2.277 827 L HA 0.594 4.934 4.340 0.000 0.000 0.284 827 L C 0.351 177.276 176.870 0.091 0.000 1.028 827 L CA -0.029 54.944 54.840 0.221 0.000 0.835 827 L CB 1.060 43.164 42.059 0.076 0.000 1.215 827 L HN 0.749 nan 8.230 nan 0.000 0.425 828 S N 3.313 119.062 115.700 0.082 0.000 2.558 828 S HA 0.391 4.861 4.470 0.000 0.000 0.293 828 S C 1.225 175.840 174.600 0.025 0.000 1.292 828 S CA 0.132 58.357 58.200 0.042 0.000 1.063 828 S CB 0.384 63.607 63.200 0.039 0.000 0.831 828 S HN 1.843 nan 8.310 nan 0.000 0.499 829 G N 1.682 110.494 108.800 0.020 0.000 2.162 829 G HA2 -0.194 3.766 3.960 0.000 0.000 0.260 829 G HA3 -0.194 3.766 3.960 0.000 0.000 0.260 829 G C -0.103 174.810 174.900 0.022 0.000 0.976 829 G CA 0.433 45.545 45.100 0.020 0.000 0.655 829 G HN 0.897 nan 8.290 nan 0.000 0.533 830 Q N -0.389 119.423 119.800 0.020 0.000 2.416 830 Q HA 0.376 4.716 4.340 0.000 0.000 0.281 830 Q C -0.771 175.253 176.000 0.040 0.000 1.067 830 Q CA -0.886 54.932 55.803 0.024 0.000 0.809 830 Q CB 1.783 30.512 28.738 -0.015 0.000 1.418 830 Q HN 0.313 nan 8.270 nan 0.000 0.411 831 E N 0.656 120.886 120.200 0.050 0.000 2.366 831 E HA 0.165 4.516 4.350 0.000 0.000 0.266 831 E C 0.562 177.221 176.600 0.099 0.000 1.051 831 E CA 0.106 56.541 56.400 0.058 0.000 0.884 831 E CB 1.351 31.085 29.700 0.056 0.000 1.006 831 E HN 0.782 nan 8.360 nan 0.000 0.417 832 A N 2.747 125.624 122.820 0.094 0.000 1.940 832 A HA -0.217 4.103 4.320 0.000 0.000 0.219 832 A C 1.988 179.747 177.584 0.293 0.000 1.176 832 A CA 2.176 54.320 52.037 0.178 0.000 0.631 832 A CB -0.559 18.394 19.000 -0.078 0.000 0.814 832 A HN 0.593 nan 8.150 nan 0.000 0.446 833 S N -0.218 115.592 115.700 0.183 0.000 2.547 833 S HA 0.201 4.671 4.470 0.000 0.000 0.235 833 S C 1.684 176.384 174.600 0.167 0.000 0.980 833 S CA 0.907 59.220 58.200 0.188 0.000 0.941 833 S CB -0.443 62.833 63.200 0.127 0.000 0.763 833 S HN 0.851 nan 8.310 nan 0.000 0.532 834 A N 1.167 124.077 122.820 0.149 0.000 2.119 834 A HA 0.340 4.660 4.320 0.000 0.000 0.217 834 A C 0.924 178.578 177.584 0.116 0.000 1.153 834 A CA 0.295 52.404 52.037 0.120 0.000 0.692 834 A CB -0.428 18.630 19.000 0.096 0.000 0.799 834 A HN 0.629 nan 8.150 nan 0.000 0.458 835 I N 0.856 121.490 120.570 0.106 0.000 2.321 835 I HA 0.203 4.374 4.170 0.000 0.000 0.291 835 I C -0.484 175.583 176.117 -0.083 0.000 0.998 835 I CA -0.195 61.060 61.300 -0.075 0.000 1.227 835 I CB 1.757 39.571 38.000 -0.310 0.000 1.368 835 I HN -0.062 nan 8.210 nan 0.000 0.466 836 S N 5.305 120.928 115.700 -0.127 0.000 2.437 836 S HA 0.444 4.914 4.470 0.000 0.000 0.305 836 S C -1.062 173.487 174.600 -0.086 0.000 1.109 836 S CA -0.602 57.599 58.200 0.001 0.000 1.099 836 S CB 0.660 63.882 63.200 0.037 0.000 1.004 836 S HN 0.344 nan 8.310 nan 0.000 0.475 837 W N 2.393 123.751 121.300 0.097 0.000 2.512 837 W HA 0.582 5.242 4.660 0.000 0.000 0.335 837 W C 0.381 176.934 176.519 0.056 0.000 1.088 837 W CA -0.773 56.623 57.345 0.086 0.000 1.236 837 W CB 0.789 30.301 29.460 0.087 0.000 1.307 837 W HN 0.181 nan 8.180 nan 0.000 0.567 838 K N 2.893 123.497 120.400 0.339 0.000 2.385 838 K HA 0.738 5.059 4.320 0.000 0.000 0.248 838 K C -0.979 175.774 176.600 0.255 0.000 0.955 838 K CA -1.049 55.369 56.287 0.218 0.000 0.816 838 K CB 2.138 34.722 32.500 0.139 0.000 1.250 838 K HN 0.734 nan 8.250 nan 0.000 0.434 839 L N -1.981 119.316 121.223 0.123 0.000 2.540 839 L HA 0.756 5.096 4.340 0.000 0.000 0.256 839 L C -0.991 175.627 176.870 -0.419 0.000 1.001 839 L CA -0.485 54.230 54.840 -0.208 0.000 0.843 839 L CB 2.584 44.216 42.059 -0.711 0.000 1.436 839 L HN 0.547 nan 8.230 nan 0.000 0.410 840 T N 0.319 114.367 114.554 -0.844 0.000 2.942 840 T HA 0.746 5.096 4.350 0.000 0.000 0.327 840 T C -0.454 173.529 174.700 -1.194 0.000 1.360 840 T CA 0.270 61.627 62.100 -1.238 0.000 1.055 840 T CB 1.647 69.780 68.868 -1.225 0.000 1.261 840 T HN 1.219 nan 8.240 nan 0.000 0.485 841 G N 2.170 110.059 108.800 -1.519 0.000 3.234 841 G HA2 0.486 4.446 3.960 0.000 0.000 0.159 841 G HA3 0.486 4.446 3.960 0.000 0.000 0.159 841 G C -0.243 174.473 174.900 -0.306 0.000 1.175 841 G CA -0.629 44.094 45.100 -0.629 0.000 0.900 841 G HN 1.060 nan 8.290 nan 0.000 0.621 842 N N -0.552 118.136 118.700 -0.019 0.000 2.407 842 N HA 0.172 4.912 4.740 0.000 0.000 0.250 842 N C 0.016 175.551 175.510 0.043 0.000 1.236 842 N CA -0.505 52.545 53.050 -0.002 0.000 0.879 842 N CB 0.906 39.431 38.487 0.064 0.000 1.088 842 N HN 0.368 nan 8.380 nan 0.000 0.450 843 L N 2.657 123.832 121.223 -0.079 0.000 2.584 843 L HA 0.194 4.534 4.340 0.000 0.000 0.272 843 L C 1.413 178.299 176.870 0.027 0.000 1.195 843 L CA 1.768 56.542 54.840 -0.109 0.000 0.920 843 L CB -0.556 41.350 42.059 -0.255 0.000 1.173 843 L HN 0.972 nan 8.230 nan 0.000 0.489 844 G N 2.268 111.125 108.800 0.095 0.000 2.217 844 G HA2 -0.108 3.852 3.960 0.000 0.000 0.246 844 G HA3 -0.108 3.852 3.960 0.000 0.000 0.246 844 G C 1.272 176.192 174.900 0.033 0.000 0.990 844 G CA 0.469 45.609 45.100 0.067 0.000 0.627 844 G HN 1.860 nan 8.290 nan 0.000 0.522 845 G N 0.272 109.119 108.800 0.078 0.000 2.622 845 G HA2 -0.379 3.581 3.960 0.000 0.000 0.307 845 G HA3 -0.379 3.581 3.960 0.000 0.000 0.307 845 G C 0.764 175.664 174.900 -0.000 0.000 1.226 845 G CA 1.333 46.337 45.100 -0.161 0.000 0.997 845 G HN 1.128 nan 8.290 nan 0.000 0.551 846 E N 0.682 120.860 120.200 -0.037 0.000 2.265 846 E HA -0.068 4.282 4.350 0.000 0.000 0.196 846 E C 1.304 178.022 176.600 0.197 0.000 0.996 846 E CA 0.597 57.087 56.400 0.151 0.000 0.832 846 E CB -0.042 29.726 29.700 0.112 0.000 0.756 846 E HN 0.298 nan 8.360 nan 0.000 0.491 847 N N 1.092 119.834 118.700 0.069 0.000 3.331 847 N HA -0.001 4.739 4.740 0.000 0.000 0.303 847 N C -1.146 174.364 175.510 -0.000 0.000 1.326 847 N CA -0.143 52.899 53.050 -0.014 0.000 1.207 847 N CB -0.094 38.368 38.487 -0.041 0.000 1.477 847 N HN 0.117 nan 8.380 nan 0.000 0.541 848 Y N -0.362 119.955 120.300 0.029 0.000 2.683 848 Y HA 0.162 4.712 4.550 0.000 0.000 0.340 848 Y C 1.365 177.283 175.900 0.031 0.000 1.245 848 Y CA -0.537 57.584 58.100 0.035 0.000 1.485 848 Y CB 0.624 39.119 38.460 0.058 0.000 1.328 848 Y HN -0.065 nan 8.280 nan 0.000 0.603 849 R N 0.440 121.027 120.500 0.146 0.000 2.161 849 R HA -0.024 4.317 4.340 0.000 0.000 0.213 849 R C -0.353 176.006 176.300 0.099 0.000 1.055 849 R CA 0.784 56.916 56.100 0.054 0.000 0.996 849 R CB -0.450 29.862 30.300 0.019 0.000 0.901 849 R HN 0.770 nan 8.270 nan 0.000 0.456 850 D N 1.229 121.778 120.400 0.248 0.000 2.499 850 D HA 0.034 4.674 4.640 0.000 0.000 0.225 850 D C 0.763 177.293 176.300 0.383 0.000 1.124 850 D CA -0.015 54.135 54.000 0.249 0.000 0.938 850 D CB 0.973 41.917 40.800 0.241 0.000 1.014 850 D HN 0.143 nan 8.370 nan 0.000 0.517 851 T N -0.765 113.938 114.554 0.249 0.000 2.995 851 T HA -0.082 4.268 4.350 0.000 0.000 0.269 851 T C 1.880 176.800 174.700 0.368 0.000 1.091 851 T CA 0.582 62.860 62.100 0.298 0.000 1.128 851 T CB 0.023 68.963 68.868 0.120 0.000 0.891 851 T HN 0.131 nan 8.240 nan 0.000 0.492 852 V N 1.601 121.691 119.914 0.294 0.000 2.346 852 V HA 0.035 4.155 4.120 0.000 0.000 0.244 852 V C 2.795 179.136 176.094 0.410 0.000 1.037 852 V CA 1.432 63.914 62.300 0.302 0.000 1.029 852 V CB -0.477 31.458 31.823 0.186 0.000 0.663 852 V HN 0.423 nan 8.190 nan 0.000 0.454 853 R N -0.030 120.682 120.500 0.353 0.000 2.297 853 R HA 0.365 4.706 4.340 0.000 0.000 0.197 853 R C 0.919 177.644 176.300 0.708 0.000 0.943 853 R CA 0.659 57.014 56.100 0.425 0.000 1.038 853 R CB 0.226 30.590 30.300 0.107 0.000 0.957 853 R HN 0.568 nan 8.270 nan 0.000 0.484 854 G N 1.064 110.226 108.800 0.602 0.000 2.603 854 G HA2 -0.157 3.803 3.960 0.000 0.000 0.686 854 G HA3 -0.157 3.803 3.960 0.000 0.000 0.686 854 G C -2.287 172.487 174.900 -0.211 0.000 1.286 854 G CA -0.637 44.627 45.100 0.274 0.000 0.871 854 G HN -0.072 nan 8.290 nan 0.000 0.568 855 P HA 0.071 nan 4.420 nan 0.000 0.229 855 P C 1.629 178.696 177.300 -0.389 0.000 1.160 855 P CA 0.997 63.430 63.100 -1.111 0.000 0.777 855 P CB 0.136 31.166 31.700 -1.117 0.000 0.814 856 L N -1.564 119.519 121.223 -0.234 0.000 2.609 856 L HA 0.173 4.513 4.340 0.000 0.000 0.230 856 L C 2.354 179.203 176.870 -0.035 0.000 1.087 856 L CA 0.207 54.969 54.840 -0.130 0.000 0.874 856 L CB -0.940 41.005 42.059 -0.190 0.000 1.114 856 L HN -0.066 nan 8.230 nan 0.000 0.488 857 N N 1.645 120.372 118.700 0.046 0.000 2.060 857 N HA -0.212 4.528 4.740 0.000 0.000 0.195 857 N C 0.634 176.265 175.510 0.201 0.000 1.028 857 N CA 1.330 54.498 53.050 0.197 0.000 0.861 857 N CB 0.121 38.835 38.487 0.377 0.000 1.029 857 N HN 0.560 nan 8.380 nan 0.000 0.428 858 E N -1.467 118.810 120.200 0.129 0.000 2.202 858 E HA 0.533 4.883 4.350 0.000 0.000 0.272 858 E C 0.050 176.668 176.600 0.030 0.000 0.951 858 E CA -0.996 55.432 56.400 0.046 0.000 0.813 858 E CB 1.782 31.433 29.700 -0.081 0.000 1.151 858 E HN 0.193 nan 8.360 nan 0.000 0.398 859 G N 0.510 109.322 108.800 0.021 0.000 2.702 859 G HA2 0.418 4.378 3.960 0.000 0.000 0.254 859 G HA3 0.418 4.378 3.960 0.000 0.000 0.254 859 G C 0.427 175.287 174.900 -0.067 0.000 1.380 859 G CA -0.585 44.522 45.100 0.012 0.000 1.042 859 G HN 0.562 nan 8.290 nan 0.000 0.557 860 G N -0.897 107.848 108.800 -0.092 0.000 3.284 860 G HA2 0.318 4.278 3.960 0.000 0.000 0.236 860 G HA3 0.318 4.278 3.960 0.000 0.000 0.236 860 G C 0.572 175.356 174.900 -0.194 0.000 1.158 860 G CA -0.376 44.610 45.100 -0.190 0.000 0.774 860 G HN 0.318 nan 8.290 nan 0.000 0.545 861 L N 0.196 121.335 121.223 -0.140 0.000 2.456 861 L HA 0.086 4.426 4.340 0.000 0.000 0.272 861 L C 1.764 178.532 176.870 -0.169 0.000 1.189 861 L CA -0.885 53.876 54.840 -0.132 0.000 0.846 861 L CB 0.501 42.513 42.059 -0.079 0.000 1.111 861 L HN 0.265 nan 8.230 nan 0.000 0.475 862 Y N 3.482 123.642 120.300 -0.233 0.000 2.062 862 Y HA -0.412 4.138 4.550 0.000 0.000 0.276 862 Y C 2.170 177.854 175.900 -0.360 0.000 1.189 862 Y CA 2.132 60.089 58.100 -0.238 0.000 1.130 862 Y CB -0.145 38.215 38.460 -0.168 0.000 0.959 862 Y HN 0.703 nan 8.280 nan 0.000 0.499 863 A N -0.030 122.457 122.820 -0.553 0.000 1.972 863 A HA -0.196 4.124 4.320 0.000 0.000 0.219 863 A C 2.103 179.200 177.584 -0.811 0.000 1.169 863 A CA 1.875 53.401 52.037 -0.852 0.000 0.635 863 A CB -0.704 17.680 19.000 -1.027 0.000 0.810 863 A HN 0.707 nan 8.150 nan 0.000 0.446 864 E N -0.491 119.373 120.200 -0.559 0.000 2.072 864 E HA -0.141 4.209 4.350 0.000 0.000 0.190 864 E C 2.283 178.679 176.600 -0.340 0.000 0.982 864 E CA 0.883 57.035 56.400 -0.413 0.000 0.803 864 E CB -0.174 29.328 29.700 -0.330 0.000 0.755 864 E HN 0.542 nan 8.360 nan 0.000 0.453 865 R N 0.610 120.860 120.500 -0.418 0.000 2.127 865 R HA -0.116 4.224 4.340 0.000 0.000 0.238 865 R C 2.139 178.151 176.300 -0.479 0.000 1.134 865 R CA 0.907 56.752 56.100 -0.425 0.000 0.975 865 R CB -0.077 29.921 30.300 -0.503 0.000 0.865 865 R HN 0.169 nan 8.270 nan 0.000 0.447 866 Q N -0.706 118.661 119.800 -0.722 0.000 2.389 866 Q HA 0.051 4.391 4.340 0.000 0.000 0.204 866 Q C 1.179 176.893 176.000 -0.477 0.000 0.944 866 Q CA 0.996 56.306 55.803 -0.822 0.000 0.908 866 Q CB 0.773 28.425 28.738 -1.810 0.000 1.002 866 Q HN 0.600 nan 8.270 nan 0.000 0.493 867 G N 0.572 109.180 108.800 -0.319 0.000 2.132 867 G HA2 -0.235 3.725 3.960 0.000 0.000 0.234 867 G HA3 -0.235 3.725 3.960 0.000 0.000 0.234 867 G C 0.297 175.234 174.900 0.060 0.000 0.989 867 G CA 0.148 45.210 45.100 -0.064 0.000 0.676 867 G HN 0.278 nan 8.290 nan 0.000 0.522 868 F N 1.306 121.201 119.950 -0.091 0.000 2.641 868 F HA 0.071 4.598 4.527 0.000 0.000 0.298 868 F C 2.434 178.289 175.800 0.091 0.000 1.146 868 F CA 0.821 58.766 58.000 -0.090 0.000 1.464 868 F CB -0.522 38.442 39.000 -0.060 0.000 1.101 868 F HN 0.676 nan 8.300 nan 0.000 0.585 869 H N -1.093 118.027 119.070 0.083 0.000 2.547 869 H HA 0.163 4.719 4.556 0.000 0.000 0.266 869 H C 0.217 175.603 175.328 0.097 0.000 0.988 869 H CA 0.025 56.149 56.048 0.127 0.000 1.147 869 H CB -0.453 28.957 29.762 -0.587 0.000 1.365 869 H HN 0.260 nan 8.280 nan 0.000 0.589 870 Q N 1.440 121.062 119.800 -0.297 0.000 2.199 870 Q HA 0.337 4.677 4.340 0.000 0.000 0.232 870 Q C -2.468 173.439 176.000 -0.155 0.000 0.969 870 Q CA -2.085 53.588 55.803 -0.217 0.000 0.925 870 Q CB 0.753 29.328 28.738 -0.272 0.000 1.198 870 Q HN 0.162 nan 8.270 nan 0.000 0.494 871 P HA -0.130 nan 4.420 nan 0.000 0.266 871 P C -1.107 175.629 177.300 -0.940 0.000 1.195 871 P CA 0.593 63.287 63.100 -0.676 0.000 0.768 871 P CB 0.343 31.809 31.700 -0.390 0.000 0.838 872 Q N -0.777 117.852 119.800 -1.951 0.000 2.453 872 Q HA -0.162 4.178 4.340 0.000 0.000 0.330 872 Q C -1.972 173.623 176.000 -0.676 0.000 1.417 872 Q CA -0.234 54.756 55.803 -1.356 0.000 0.902 872 Q CB -1.530 26.780 28.738 -0.714 0.000 1.154 872 Q HN 0.469 nan 8.270 nan 0.000 0.395 873 P HA 0.136 nan 4.420 nan 0.000 0.274 873 P C -2.403 174.397 177.300 -0.832 0.000 1.246 873 P CA -1.255 61.408 63.100 -0.729 0.000 0.795 873 P CB 0.324 31.676 31.700 -0.581 0.000 1.006 874 P HA 0.068 nan 4.420 nan 0.000 0.238 874 P C 0.658 177.340 177.300 -1.030 0.000 1.794 874 P CA 0.005 62.671 63.100 -0.723 0.000 1.088 874 P CB -0.850 30.563 31.700 -0.479 0.000 1.923 875 T N -2.247 111.639 114.554 -1.114 0.000 3.144 875 T HA -0.038 4.312 4.350 0.000 0.000 0.249 875 T C 1.602 175.978 174.700 -0.540 0.000 1.089 875 T CA 0.060 61.323 62.100 -1.395 0.000 0.989 875 T CB -0.150 68.112 68.868 -1.009 0.000 0.992 875 T HN 0.193 nan 8.240 nan 0.000 0.540 876 Q N 2.012 121.618 119.800 -0.323 0.000 2.029 876 Q HA -0.188 4.152 4.340 0.000 0.000 0.209 876 Q C 1.433 177.432 176.000 -0.001 0.000 0.999 876 Q CA 1.677 57.414 55.803 -0.111 0.000 0.857 876 Q CB -0.144 28.551 28.738 -0.072 0.000 0.926 876 Q HN 0.518 nan 8.270 nan 0.000 0.415 877 K N -0.620 119.822 120.400 0.070 0.000 2.446 877 K HA 0.044 4.364 4.320 0.000 0.000 0.203 877 K C -0.717 176.061 176.600 0.296 0.000 1.027 877 K CA -0.505 55.877 56.287 0.158 0.000 1.166 877 K CB 0.291 32.873 32.500 0.137 0.000 0.869 877 K HN 0.146 nan 8.250 nan 0.000 0.504 878 W N 1.983 123.270 121.300 -0.022 0.000 2.183 878 W HA 0.115 4.775 4.660 0.000 0.000 0.348 878 W C 0.585 177.115 176.519 0.018 0.000 1.257 878 W CA -1.011 56.326 57.345 -0.013 0.000 1.324 878 W CB 0.201 29.645 29.460 -0.026 0.000 1.144 878 W HN 0.005 nan 8.180 nan 0.000 0.622 879 D N 0.232 120.765 120.400 0.221 0.000 2.362 879 D HA 0.058 4.698 4.640 0.000 0.000 0.242 879 D C -0.381 176.042 176.300 0.206 0.000 1.132 879 D CA 0.246 54.336 54.000 0.151 0.000 0.907 879 D CB 0.867 41.711 40.800 0.073 0.000 1.195 879 D HN 0.039 nan 8.370 nan 0.000 0.429 880 S N 0.708 116.512 115.700 0.174 0.000 3.158 880 S HA 0.265 4.735 4.470 0.000 0.000 0.215 880 S C -0.076 174.649 174.600 0.207 0.000 1.359 880 S CA -0.400 57.920 58.200 0.202 0.000 0.974 880 S CB 0.107 63.401 63.200 0.156 0.000 1.336 880 S HN 0.322 nan 8.310 nan 0.000 0.488 881 S N 1.973 117.827 115.700 0.256 0.000 2.536 881 S HA 0.691 5.161 4.470 0.000 0.000 0.287 881 S C -0.204 174.625 174.600 0.382 0.000 1.101 881 S CA -0.615 57.738 58.200 0.255 0.000 0.950 881 S CB 1.395 64.713 63.200 0.196 0.000 1.056 881 S HN 0.572 nan 8.310 nan 0.000 0.481 882 S N 3.742 119.581 115.700 0.232 0.000 2.681 882 S HA 0.649 5.119 4.470 0.000 0.000 0.299 882 S C -2.008 172.301 174.600 -0.484 0.000 1.113 882 S CA -1.363 56.781 58.200 -0.094 0.000 1.013 882 S CB 1.419 64.499 63.200 -0.200 0.000 1.076 882 S HN 0.574 nan 8.310 nan 0.000 0.534 883 P HA -0.005 nan 4.420 nan 0.000 0.230 883 P C 0.750 177.521 177.300 -0.881 0.000 1.158 883 P CA 0.851 63.035 63.100 -1.526 0.000 0.769 883 P CB -0.214 30.436 31.700 -1.750 0.000 0.807 884 F N -0.219 119.424 119.950 -0.511 0.000 2.710 884 F HA 0.024 4.551 4.527 0.000 0.000 0.298 884 F C 2.299 177.991 175.800 -0.180 0.000 1.137 884 F CA 1.065 58.902 58.000 -0.272 0.000 1.444 884 F CB -0.777 38.114 39.000 -0.182 0.000 1.111 884 F HN -0.084 nan 8.300 nan 0.000 0.580 885 T N -1.261 113.273 114.554 -0.033 0.000 3.021 885 T HA 0.326 4.676 4.350 0.000 0.000 0.245 885 T C 1.493 176.172 174.700 -0.034 0.000 1.028 885 T CA 0.822 62.925 62.100 0.004 0.000 1.139 885 T CB -0.519 68.380 68.868 0.051 0.000 0.884 885 T HN 0.406 nan 8.240 nan 0.000 0.457 886 G N 1.544 110.302 108.800 -0.071 0.000 2.564 886 G HA2 -0.181 3.779 3.960 0.000 0.000 0.273 886 G HA3 -0.181 3.779 3.960 0.000 0.000 0.273 886 G C -0.804 174.126 174.900 0.049 0.000 1.242 886 G CA -0.245 44.832 45.100 -0.039 0.000 0.951 886 G HN 0.450 nan 8.290 nan 0.000 0.564 887 L N 0.225 121.457 121.223 0.015 0.000 2.330 887 L HA 0.680 5.020 4.340 0.000 0.000 0.271 887 L C 1.499 178.371 176.870 0.003 0.000 1.013 887 L CA 0.401 55.256 54.840 0.025 0.000 0.816 887 L CB 2.062 44.146 42.059 0.041 0.000 1.287 887 L HN 0.967 nan 8.230 nan 0.000 0.435 888 T N -2.661 111.897 114.554 0.006 0.000 3.134 888 T HA 0.365 4.715 4.350 0.000 0.000 0.260 888 T C 0.056 174.751 174.700 -0.008 0.000 1.027 888 T CA -0.307 61.793 62.100 -0.000 0.000 0.913 888 T CB -0.339 68.532 68.868 0.006 0.000 1.046 888 T HN 0.642 nan 8.240 nan 0.000 0.553 889 K N -0.864 119.529 120.400 -0.012 0.000 2.617 889 K HA 0.620 4.940 4.320 0.000 0.000 0.293 889 K C -3.644 172.925 176.600 -0.052 0.000 1.034 889 K CA -2.229 54.030 56.287 -0.046 0.000 0.884 889 K CB 0.163 32.644 32.500 -0.032 0.000 1.541 889 K HN -0.267 nan 8.250 nan 0.000 0.409 890 P HA 0.289 nan 4.420 nan 0.000 0.268 890 P C -0.439 176.973 177.300 0.187 0.000 1.205 890 P CA 0.412 63.432 63.100 -0.133 0.000 0.771 890 P CB 0.951 32.145 31.700 -0.844 0.000 0.858 891 G N 1.379 110.383 108.800 0.340 0.000 2.333 891 G HA2 0.434 4.394 3.960 0.000 0.000 0.288 891 G HA3 0.434 4.394 3.960 0.000 0.000 0.288 891 G C -2.068 172.929 174.900 0.162 0.000 1.286 891 G CA -0.643 44.616 45.100 0.265 0.000 0.865 891 G HN 0.405 nan 8.290 nan 0.000 0.506 892 I N 0.285 120.844 120.570 -0.018 0.000 2.571 892 I HA 0.517 4.687 4.170 0.000 0.000 0.289 892 I C -0.290 175.818 176.117 -0.016 0.000 1.115 892 I CA -0.730 60.563 61.300 -0.012 0.000 1.045 892 I CB 2.391 40.273 38.000 -0.196 0.000 1.238 892 I HN 0.353 nan 8.210 nan 0.000 0.424 893 R N 4.033 124.562 120.500 0.049 0.000 2.803 893 R HA 0.608 4.948 4.340 0.000 0.000 0.276 893 R C -1.577 174.721 176.300 -0.003 0.000 0.978 893 R CA -0.874 55.184 56.100 -0.071 0.000 0.939 893 R CB 2.994 33.167 30.300 -0.211 0.000 1.179 893 R HN 0.414 nan 8.270 nan 0.000 0.472 894 F N 2.162 121.947 119.950 -0.276 0.000 2.444 894 F HA 0.428 4.955 4.527 0.000 0.000 0.342 894 F C -1.236 174.458 175.800 -0.177 0.000 1.121 894 F CA -0.653 57.302 58.000 -0.075 0.000 0.997 894 F CB 0.842 39.850 39.000 0.013 0.000 1.130 894 F HN 0.352 nan 8.300 nan 0.000 0.454 895 Y N 2.852 122.992 120.300 -0.266 0.000 2.446 895 Y HA 0.585 5.135 4.550 0.000 0.000 0.338 895 Y C -0.003 176.016 175.900 0.197 0.000 1.055 895 Y CA -0.795 57.366 58.100 0.100 0.000 1.101 895 Y CB 2.122 40.644 38.460 0.103 0.000 1.221 895 Y HN 0.519 nan 8.280 nan 0.000 0.460 896 S N 1.258 117.353 115.700 0.658 0.000 2.540 896 S HA 0.824 5.294 4.470 0.000 0.000 0.275 896 S C -0.954 173.808 174.600 0.271 0.000 1.123 896 S CA -0.216 58.259 58.200 0.459 0.000 0.907 896 S CB 1.860 65.300 63.200 0.399 0.000 1.081 896 S HN 0.808 nan 8.310 nan 0.000 0.476 897 T N 1.183 115.733 114.554 -0.008 0.000 2.718 897 T HA 0.719 5.069 4.350 0.000 0.000 0.306 897 T C -1.712 172.802 174.700 -0.310 0.000 1.485 897 T CA 0.005 61.909 62.100 -0.327 0.000 0.997 897 T CB 1.165 69.389 68.868 -1.073 0.000 1.504 897 T HN 1.416 nan 8.240 nan 0.000 0.497 898 S N 1.034 116.445 115.700 -0.482 0.000 2.618 898 S HA 0.950 5.420 4.470 0.000 0.000 0.277 898 S C -1.463 172.891 174.600 -0.409 0.000 1.138 898 S CA -0.848 56.905 58.200 -0.745 0.000 0.844 898 S CB 1.781 64.021 63.200 -1.601 0.000 1.127 898 S HN 1.243 nan 8.310 nan 0.000 0.474 899 F N -1.340 118.345 119.950 -0.441 0.000 2.678 899 F HA 0.752 5.279 4.527 0.000 0.000 0.308 899 F C -1.659 173.993 175.800 -0.246 0.000 1.118 899 F CA -0.953 56.869 58.000 -0.296 0.000 0.959 899 F CB 0.697 39.562 39.000 -0.225 0.000 1.305 899 F HN 0.436 nan 8.300 nan 0.000 0.443 900 D N 2.594 122.989 120.400 -0.008 0.000 2.181 900 D HA 0.669 5.309 4.640 0.000 0.000 0.248 900 D C -0.658 175.680 176.300 0.063 0.000 1.020 900 D CA -0.114 53.853 54.000 -0.054 0.000 0.891 900 D CB 2.469 43.232 40.800 -0.062 0.000 1.187 900 D HN 0.564 nan 8.370 nan 0.000 0.443 901 L N 0.683 121.907 121.223 0.002 0.000 2.370 901 L HA 0.384 4.724 4.340 0.000 0.000 0.266 901 L C -0.625 176.184 176.870 -0.100 0.000 1.002 901 L CA -0.665 54.152 54.840 -0.038 0.000 0.818 901 L CB 2.097 44.129 42.059 -0.046 0.000 1.325 901 L HN 0.264 nan 8.230 nan 0.000 0.418 902 D N 2.275 122.586 120.400 -0.148 0.000 2.978 902 D HA 0.290 4.930 4.640 0.000 0.000 0.268 902 D C -0.875 175.329 176.300 -0.161 0.000 1.252 902 D CA -0.252 53.672 54.000 -0.126 0.000 0.771 902 D CB 0.456 41.249 40.800 -0.012 0.000 1.361 902 D HN 0.211 nan 8.370 nan 0.000 0.558 903 L N 1.455 122.489 121.223 -0.316 0.000 2.452 903 L HA 0.420 4.760 4.340 0.000 0.000 0.267 903 L C -1.499 175.358 176.870 -0.022 0.000 1.188 903 L CA -1.616 53.090 54.840 -0.223 0.000 0.821 903 L CB 0.215 42.063 42.059 -0.353 0.000 1.102 903 L HN 0.204 nan 8.230 nan 0.000 0.470 904 P HA -0.009 nan 4.420 nan 0.000 0.261 904 P C -0.378 177.091 177.300 0.281 0.000 1.183 904 P CA -0.162 62.997 63.100 0.098 0.000 0.761 904 P CB 0.538 32.196 31.700 -0.070 0.000 0.785 905 S N 1.818 117.695 115.700 0.294 0.000 2.585 905 S HA 0.451 4.921 4.470 0.000 0.000 0.273 905 S C 1.319 176.061 174.600 0.236 0.000 1.339 905 S CA 0.251 58.610 58.200 0.264 0.000 1.028 905 S CB 0.307 63.584 63.200 0.128 0.000 0.906 905 S HN 0.916 nan 8.310 nan 0.000 0.528 906 G N 0.069 108.948 108.800 0.132 0.000 2.176 906 G HA2 -0.204 3.756 3.960 0.000 0.000 0.253 906 G HA3 -0.204 3.756 3.960 0.000 0.000 0.253 906 G C -0.371 174.423 174.900 -0.177 0.000 0.979 906 G CA 0.263 45.342 45.100 -0.034 0.000 0.641 906 G HN 0.788 nan 8.290 nan 0.000 0.530 907 Y N 0.024 120.372 120.300 0.081 0.000 2.462 907 Y HA 0.606 5.156 4.550 0.000 0.000 0.346 907 Y C -0.445 175.512 175.900 0.095 0.000 0.976 907 Y CA -1.298 56.851 58.100 0.082 0.000 1.044 907 Y CB 1.972 40.474 38.460 0.070 0.000 1.230 907 Y HN 0.030 nan 8.280 nan 0.000 0.455 908 D N 3.445 123.978 120.400 0.221 0.000 2.412 908 D HA 0.389 5.029 4.640 0.000 0.000 0.224 908 D C -1.022 175.388 176.300 0.183 0.000 1.093 908 D CA -0.020 54.073 54.000 0.156 0.000 0.850 908 D CB 0.360 41.208 40.800 0.079 0.000 1.046 908 D HN 0.454 nan 8.370 nan 0.000 0.507 909 I N 5.213 125.924 120.570 0.236 0.000 2.382 909 I HA 0.287 4.457 4.170 0.000 0.000 0.285 909 I C -2.233 174.003 176.117 0.199 0.000 1.007 909 I CA -2.142 59.269 61.300 0.185 0.000 1.142 909 I CB 1.996 40.059 38.000 0.105 0.000 1.289 909 I HN 0.094 nan 8.210 nan 0.000 0.453 910 P HA 0.269 nan 4.420 nan 0.000 0.276 910 P C -0.960 176.423 177.300 0.139 0.000 1.243 910 P CA -0.254 62.928 63.100 0.137 0.000 0.768 910 P CB 0.717 32.542 31.700 0.208 0.000 0.856 911 L N 5.040 126.286 121.223 0.039 0.000 2.334 911 L HA 0.510 4.850 4.340 0.000 0.000 0.276 911 L C -0.720 176.116 176.870 -0.056 0.000 1.014 911 L CA -0.465 54.381 54.840 0.009 0.000 0.815 911 L CB 0.834 42.854 42.059 -0.066 0.000 1.268 911 L HN 0.321 nan 8.230 nan 0.000 0.428 912 Y N 2.083 122.343 120.300 -0.067 0.000 2.477 912 Y HA 0.519 5.069 4.550 0.000 0.000 0.347 912 Y C -0.781 175.077 175.900 -0.070 0.000 0.981 912 Y CA -0.767 57.368 58.100 0.057 0.000 1.033 912 Y CB 1.681 40.208 38.460 0.111 0.000 1.245 912 Y HN 0.279 nan 8.280 nan 0.000 0.455 913 F N 2.760 122.921 119.950 0.352 0.000 2.405 913 F HA 0.419 4.946 4.527 0.000 0.000 0.355 913 F C -0.165 175.833 175.800 0.330 0.000 1.121 913 F CA -0.572 57.545 58.000 0.196 0.000 1.112 913 F CB 0.805 39.960 39.000 0.258 0.000 1.126 913 F HN 0.404 nan 8.300 nan 0.000 0.481 914 N N 3.743 122.593 118.700 0.251 0.000 2.372 914 N HA 0.416 5.156 4.740 0.000 0.000 0.291 914 N C -1.187 174.448 175.510 0.208 0.000 1.024 914 N CA -0.549 52.681 53.050 0.299 0.000 0.873 914 N CB 1.105 39.693 38.487 0.168 0.000 1.206 914 N HN 0.221 nan 8.380 nan 0.000 0.486 915 F N -0.014 120.115 119.950 0.298 0.000 2.422 915 F HA 0.562 5.089 4.527 0.000 0.000 0.333 915 F C 1.443 177.329 175.800 0.143 0.000 1.095 915 F CA -0.757 57.317 58.000 0.123 0.000 1.038 915 F CB 1.321 40.064 39.000 -0.428 0.000 1.156 915 F HN 0.362 nan 8.300 nan 0.000 0.483 916 G N 0.838 109.826 108.800 0.313 0.000 2.444 916 G HA2 0.346 4.306 3.960 0.000 0.000 0.268 916 G HA3 0.346 4.306 3.960 0.000 0.000 0.268 916 G C -0.719 174.346 174.900 0.274 0.000 1.203 916 G CA -0.372 44.878 45.100 0.250 0.000 0.835 916 G HN 0.640 nan 8.290 nan 0.000 0.543 917 N N -0.730 118.098 118.700 0.213 0.000 2.679 917 N HA 0.048 4.788 4.740 0.000 0.000 0.240 917 N C 0.908 176.487 175.510 0.115 0.000 1.537 917 N CA 0.091 53.250 53.050 0.181 0.000 0.793 917 N CB 0.529 39.133 38.487 0.194 0.000 1.391 917 N HN 0.317 nan 8.380 nan 0.000 0.524 918 S N -1.906 113.857 115.700 0.104 0.000 2.548 918 S HA 0.055 4.525 4.470 0.000 0.000 0.215 918 S C 0.892 175.526 174.600 0.057 0.000 0.976 918 S CA 0.080 58.324 58.200 0.073 0.000 0.908 918 S CB -0.493 62.749 63.200 0.071 0.000 0.781 918 S HN 0.430 nan 8.310 nan 0.000 0.519 919 T N 0.934 115.524 114.554 0.061 0.000 2.860 919 T HA 0.370 4.720 4.350 0.000 0.000 0.299 919 T C 1.391 176.107 174.700 0.026 0.000 1.045 919 T CA 0.002 62.129 62.100 0.044 0.000 1.071 919 T CB 1.289 70.187 68.868 0.050 0.000 0.985 919 T HN 0.286 nan 8.240 nan 0.000 0.537 920 S N 1.358 117.069 115.700 0.018 0.000 2.348 920 S HA 0.019 4.489 4.470 0.000 0.000 0.219 920 S C 0.943 175.541 174.600 -0.004 0.000 1.033 920 S CA 0.239 58.443 58.200 0.006 0.000 0.974 920 S CB -0.764 62.440 63.200 0.006 0.000 0.868 920 S HN 0.802 nan 8.310 nan 0.000 0.459 921 T N 5.238 119.790 114.554 -0.003 0.000 2.738 921 T HA 0.487 4.837 4.350 0.000 0.000 0.298 921 T C -2.596 172.094 174.700 -0.017 0.000 0.962 921 T CA -1.234 60.857 62.100 -0.016 0.000 0.972 921 T CB 1.333 70.194 68.868 -0.012 0.000 0.928 921 T HN 0.352 nan 8.240 nan 0.000 0.474 922 P HA 0.397 nan 4.420 nan 0.000 0.280 922 P C -0.515 176.747 177.300 -0.064 0.000 1.244 922 P CA -0.519 62.547 63.100 -0.057 0.000 0.784 922 P CB 0.723 32.356 31.700 -0.112 0.000 0.913 923 A N 3.281 126.095 122.820 -0.011 0.000 2.386 923 A HA 0.485 4.805 4.320 0.000 0.000 0.248 923 A C 0.500 178.042 177.584 -0.069 0.000 1.082 923 A CA -0.247 51.812 52.037 0.036 0.000 0.789 923 A CB -0.129 18.997 19.000 0.209 0.000 1.025 923 A HN 0.623 nan 8.150 nan 0.000 0.490 924 A N 1.766 124.551 122.820 -0.057 0.000 2.366 924 A HA 0.637 4.957 4.320 0.000 0.000 0.322 924 A C -0.554 176.991 177.584 -0.066 0.000 1.397 924 A CA -0.345 51.587 52.037 -0.174 0.000 0.984 924 A CB -0.594 18.281 19.000 -0.209 0.000 1.149 924 A HN 1.608 nan 8.150 nan 0.000 0.540 925 Y N -0.476 119.704 120.300 -0.199 0.000 2.609 925 Y HA 0.792 5.342 4.550 0.000 0.000 0.336 925 Y C -0.820 174.968 175.900 -0.187 0.000 1.129 925 Y CA -1.491 56.514 58.100 -0.158 0.000 1.040 925 Y CB 1.134 39.569 38.460 -0.043 0.000 1.310 925 Y HN 0.494 nan 8.280 nan 0.000 0.460 926 R N 1.775 122.323 120.500 0.080 0.000 2.670 926 R HA 0.836 5.176 4.340 0.000 0.000 0.289 926 R C -1.752 174.693 176.300 0.241 0.000 0.965 926 R CA -1.223 54.889 56.100 0.020 0.000 0.899 926 R CB 2.734 32.954 30.300 -0.133 0.000 1.173 926 R HN 0.600 nan 8.270 nan 0.000 0.456 927 V N 2.472 122.496 119.914 0.183 0.000 2.709 927 V HA 0.334 4.454 4.120 0.000 0.000 0.308 927 V C -0.713 175.443 176.094 0.103 0.000 1.062 927 V CA -0.882 61.514 62.300 0.160 0.000 0.901 927 V CB 2.155 34.012 31.823 0.057 0.000 1.003 927 V HN 0.693 nan 8.190 nan 0.000 0.425 928 Q N 3.009 122.893 119.800 0.140 0.000 2.331 928 Q HA 0.595 4.935 4.340 0.000 0.000 0.267 928 Q C -1.267 174.754 176.000 0.035 0.000 1.006 928 Q CA -0.783 55.063 55.803 0.072 0.000 0.818 928 Q CB 2.781 31.604 28.738 0.141 0.000 1.276 928 Q HN 0.588 nan 8.270 nan 0.000 0.450 929 L N 3.096 124.275 121.223 -0.072 0.000 2.282 929 L HA 0.426 4.766 4.340 0.000 0.000 0.288 929 L C -1.807 175.039 176.870 -0.039 0.000 1.033 929 L CA -0.160 54.677 54.840 -0.005 0.000 0.807 929 L CB 0.406 42.444 42.059 -0.035 0.000 1.209 929 L HN 0.456 nan 8.230 nan 0.000 0.423 930 Y N 3.970 124.415 120.300 0.242 0.000 2.341 930 Y HA 0.627 5.177 4.550 0.000 0.000 0.338 930 Y C -0.445 175.629 175.900 0.289 0.000 0.965 930 Y CA -0.698 57.602 58.100 0.333 0.000 1.108 930 Y CB 2.197 40.909 38.460 0.419 0.000 1.180 930 Y HN 0.288 nan 8.280 nan 0.000 0.458 931 V N 3.858 124.065 119.914 0.488 0.000 2.376 931 V HA 0.225 4.345 4.120 0.000 0.000 0.287 931 V C -0.265 176.084 176.094 0.425 0.000 1.015 931 V CA -1.363 61.161 62.300 0.374 0.000 0.834 931 V CB 0.977 32.963 31.823 0.272 0.000 1.001 931 V HN 0.984 nan 8.190 nan 0.000 0.428 932 N N 4.122 123.048 118.700 0.378 0.000 2.721 932 N HA -0.248 4.492 4.740 0.000 0.000 0.249 932 N C 1.158 176.874 175.510 0.343 0.000 1.072 932 N CA 0.792 54.054 53.050 0.353 0.000 0.710 932 N CB -0.750 37.923 38.487 0.311 0.000 0.993 932 N HN 1.339 nan 8.380 nan 0.000 0.547 933 G N -2.105 106.904 108.800 0.347 0.000 2.241 933 G HA2 -0.365 3.595 3.960 0.000 0.000 0.244 933 G HA3 -0.365 3.595 3.960 0.000 0.000 0.244 933 G C -0.155 174.981 174.900 0.394 0.000 0.998 933 G CA 0.249 45.497 45.100 0.246 0.000 0.621 933 G HN 0.443 nan 8.290 nan 0.000 0.519 934 Y N 1.676 122.289 120.300 0.521 0.000 2.350 934 Y HA 0.540 5.090 4.550 0.000 0.000 0.340 934 Y C 0.845 177.130 175.900 0.642 0.000 1.006 934 Y CA -0.452 57.987 58.100 0.565 0.000 1.166 934 Y CB 1.202 39.901 38.460 0.398 0.000 1.168 934 Y HN 0.115 nan 8.280 nan 0.000 0.502 935 Q N 3.619 123.809 119.800 0.650 0.000 2.296 935 Q HA 0.022 4.362 4.340 0.000 0.000 0.263 935 Q C -1.238 174.960 176.000 0.331 0.000 1.026 935 Q CA 0.184 56.062 55.803 0.124 0.000 0.912 935 Q CB 0.315 28.974 28.738 -0.131 0.000 1.198 935 Q HN 0.878 nan 8.270 nan 0.000 0.407 936 Y N 2.119 122.541 120.300 0.202 0.000 2.713 936 Y HA 0.405 4.955 4.550 0.000 0.000 0.269 936 Y C 0.298 176.380 175.900 0.304 0.000 1.106 936 Y CA 0.106 58.396 58.100 0.316 0.000 1.174 936 Y CB 1.291 39.939 38.460 0.314 0.000 1.186 936 Y HN 0.715 nan 8.280 nan 0.000 0.555 937 G N 0.830 109.770 108.800 0.233 0.000 2.380 937 G HA2 0.265 4.225 3.960 0.000 0.000 0.305 937 G HA3 0.265 4.225 3.960 0.000 0.000 0.305 937 G C -1.734 173.211 174.900 0.075 0.000 1.672 937 G CA -1.107 44.107 45.100 0.191 0.000 0.904 937 G HN -0.042 nan 8.290 nan 0.000 0.686 938 K N 1.295 121.872 120.400 0.294 0.000 2.450 938 K HA 0.373 4.693 4.320 0.000 0.000 0.257 938 K C -1.739 175.130 176.600 0.449 0.000 0.953 938 K CA -0.851 55.625 56.287 0.314 0.000 0.844 938 K CB 2.614 35.382 32.500 0.448 0.000 1.103 938 K HN 0.533 nan 8.250 nan 0.000 0.429 939 Y N 2.452 122.768 120.300 0.026 0.000 2.328 939 Y HA 0.321 4.871 4.550 0.000 0.000 0.337 939 Y C -0.982 174.861 175.900 -0.095 0.000 0.966 939 Y CA -0.812 57.264 58.100 -0.039 0.000 1.136 939 Y CB 1.169 39.243 38.460 -0.642 0.000 1.170 939 Y HN 0.209 nan 8.280 nan 0.000 0.470 940 V N 7.323 126.924 119.914 -0.521 0.000 2.305 940 V HA 0.115 4.235 4.120 0.000 0.000 0.275 940 V C 0.697 176.261 176.094 -0.884 0.000 1.020 940 V CA -0.750 61.183 62.300 -0.612 0.000 0.811 940 V CB 0.942 32.461 31.823 -0.506 0.000 1.031 940 V HN 0.920 nan 8.190 nan 0.000 0.439 941 N N 4.548 122.578 118.700 -1.117 0.000 2.137 941 N HA -0.212 4.528 4.740 0.000 0.000 0.190 941 N C 1.685 176.857 175.510 -0.563 0.000 1.017 941 N CA 2.283 54.754 53.050 -0.964 0.000 0.859 941 N CB 0.112 37.866 38.487 -1.221 0.000 1.002 941 N HN 0.800 nan 8.380 nan 0.000 0.428 942 N N -0.472 117.925 118.700 -0.504 0.000 2.398 942 N HA -0.025 4.715 4.740 0.000 0.000 0.188 942 N C 1.149 176.475 175.510 -0.307 0.000 1.122 942 N CA 0.545 53.381 53.050 -0.356 0.000 0.866 942 N CB 0.239 38.514 38.487 -0.353 0.000 0.970 942 N HN 0.440 nan 8.380 nan 0.000 0.462 943 I N -0.739 119.640 120.570 -0.318 0.000 3.812 943 I HA 0.214 4.384 4.170 0.000 0.000 0.292 943 I C 1.259 177.302 176.117 -0.123 0.000 1.206 943 I CA 0.445 61.620 61.300 -0.208 0.000 1.370 943 I CB 0.053 37.914 38.000 -0.231 0.000 1.328 943 I HN 0.202 nan 8.210 nan 0.000 0.453 944 G N 2.827 111.540 108.800 -0.146 0.000 2.697 944 G HA2 -0.216 3.744 3.960 0.000 0.000 0.240 944 G HA3 -0.216 3.744 3.960 0.000 0.000 0.240 944 G C -2.205 172.552 174.900 -0.238 0.000 1.346 944 G CA 0.040 45.036 45.100 -0.173 0.000 0.887 944 G HN 0.206 nan 8.290 nan 0.000 0.569 945 P HA 0.114 nan 4.420 nan 0.000 0.267 945 P C 0.489 177.608 177.300 -0.302 0.000 1.289 945 P CA 0.379 63.271 63.100 -0.346 0.000 0.866 945 P CB 0.393 31.901 31.700 -0.319 0.000 1.309 946 Q N 1.312 120.842 119.800 -0.451 0.000 2.296 946 Q HA 0.181 4.521 4.340 0.000 0.000 0.262 946 Q C 0.676 176.722 176.000 0.077 0.000 0.981 946 Q CA 0.502 56.154 55.803 -0.251 0.000 0.905 946 Q CB 0.546 29.056 28.738 -0.381 0.000 1.186 946 Q HN 0.047 nan 8.270 nan 0.000 0.399 947 T N -1.130 113.510 114.554 0.142 0.000 2.958 947 T HA 0.183 4.533 4.350 0.000 0.000 0.256 947 T C 0.432 175.428 174.700 0.493 0.000 0.983 947 T CA -0.182 62.202 62.100 0.474 0.000 0.924 947 T CB 0.575 69.668 68.868 0.375 0.000 1.136 947 T HN 0.279 nan 8.240 nan 0.000 0.506 948 S N 0.852 116.659 115.700 0.177 0.000 2.530 948 S HA 0.682 5.152 4.470 0.000 0.000 0.322 948 S C -1.640 173.081 174.600 0.202 0.000 1.085 948 S CA -0.781 57.604 58.200 0.309 0.000 1.096 948 S CB 0.031 63.351 63.200 0.199 0.000 0.988 948 S HN 0.295 nan 8.310 nan 0.000 0.466 949 F N 6.553 126.863 119.950 0.599 0.000 2.366 949 F HA 0.418 4.945 4.527 0.000 0.000 0.366 949 F C -1.968 174.117 175.800 0.475 0.000 1.096 949 F CA -2.261 56.078 58.000 0.565 0.000 1.060 949 F CB 1.545 40.906 39.000 0.601 0.000 1.282 949 F HN 0.353 nan 8.300 nan 0.000 0.450 950 P HA 0.251 nan 4.420 nan 0.000 0.275 950 P C -0.851 176.546 177.300 0.163 0.000 1.228 950 P CA -0.166 62.857 63.100 -0.128 0.000 0.786 950 P CB 2.313 33.734 31.700 -0.465 0.000 0.927 951 V N 4.375 124.307 119.914 0.031 0.000 2.569 951 V HA 0.321 4.441 4.120 0.000 0.000 0.301 951 V C -2.076 173.940 176.094 -0.131 0.000 1.044 951 V CA -1.863 60.372 62.300 -0.109 0.000 0.874 951 V CB 2.003 33.843 31.823 0.027 0.000 1.002 951 V HN 0.583 nan 8.190 nan 0.000 0.424 952 P HA 0.199 nan 4.420 nan 0.000 0.274 952 P C -0.333 176.838 177.300 -0.215 0.000 1.231 952 P CA -0.283 62.722 63.100 -0.159 0.000 0.790 952 P CB 1.214 32.831 31.700 -0.137 0.000 0.951 953 E N 0.177 120.195 120.200 -0.304 0.000 2.413 953 E HA 0.254 4.604 4.350 0.000 0.000 0.263 953 E C 0.981 177.356 176.600 -0.375 0.000 1.015 953 E CA 0.811 56.855 56.400 -0.594 0.000 0.916 953 E CB -0.325 28.776 29.700 -0.997 0.000 0.947 953 E HN 0.769 nan 8.360 nan 0.000 0.440 954 G N 4.327 112.941 108.800 -0.310 0.000 2.491 954 G HA2 -0.211 3.749 3.960 0.000 0.000 0.203 954 G HA3 -0.211 3.749 3.960 0.000 0.000 0.203 954 G C 0.723 175.479 174.900 -0.241 0.000 1.052 954 G CA 0.160 45.110 45.100 -0.249 0.000 0.675 954 G HN 0.499 nan 8.290 nan 0.000 0.504 955 I N 1.201 121.602 120.570 -0.281 0.000 2.628 955 I HA 0.379 4.549 4.170 0.000 0.000 0.255 955 I C 1.467 177.525 176.117 -0.098 0.000 1.119 955 I CA 0.658 61.780 61.300 -0.297 0.000 1.448 955 I CB -0.743 36.971 38.000 -0.477 0.000 1.133 955 I HN 0.146 nan 8.210 nan 0.000 0.438 956 L N 2.096 123.283 121.223 -0.060 0.000 2.334 956 L HA 0.251 4.591 4.340 0.000 0.000 0.277 956 L C -0.151 176.770 176.870 0.085 0.000 1.075 956 L CA -0.288 54.611 54.840 0.098 0.000 0.804 956 L CB 0.725 42.941 42.059 0.261 0.000 1.174 956 L HN 0.156 nan 8.230 nan 0.000 0.438 957 N N 2.667 121.437 118.700 0.118 0.000 2.485 957 N HA 0.112 4.852 4.740 0.000 0.000 0.243 957 N C 0.066 175.705 175.510 0.215 0.000 0.987 957 N CA -0.402 52.715 53.050 0.111 0.000 0.940 957 N CB 1.093 39.614 38.487 0.056 0.000 1.122 957 N HN 0.454 nan 8.380 nan 0.000 0.509 958 Y N 0.528 120.782 120.300 -0.077 0.000 2.571 958 Y HA -0.023 4.527 4.550 0.000 0.000 0.294 958 Y C 0.572 176.118 175.900 -0.589 0.000 1.141 958 Y CA 0.591 58.525 58.100 -0.277 0.000 1.308 958 Y CB -0.101 38.180 38.460 -0.299 0.000 1.002 958 Y HN 0.534 nan 8.280 nan 0.000 0.551 959 H N -1.672 117.482 119.070 0.140 0.000 2.790 959 H HA 0.550 5.106 4.556 0.000 0.000 0.232 959 H C 0.656 176.004 175.328 0.035 0.000 1.313 959 H CA 0.006 56.095 56.048 0.069 0.000 1.011 959 H CB 0.442 30.240 29.762 0.060 0.000 2.105 959 H HN 0.151 nan 8.280 nan 0.000 0.580 960 G N -0.862 107.978 108.800 0.067 0.000 2.634 960 G HA2 0.318 4.278 3.960 0.000 0.000 0.309 960 G HA3 0.318 4.278 3.960 0.000 0.000 0.309 960 G C -0.939 173.928 174.900 -0.056 0.000 1.299 960 G CA -0.762 44.354 45.100 0.027 0.000 0.798 960 G HN 0.046 nan 8.290 nan 0.000 0.490 961 T N 1.731 116.238 114.554 -0.079 0.000 2.910 961 T HA 0.506 4.856 4.350 0.000 0.000 0.293 961 T C -0.259 174.261 174.700 -0.300 0.000 1.015 961 T CA -0.220 61.746 62.100 -0.223 0.000 1.094 961 T CB 0.605 69.373 68.868 -0.167 0.000 0.968 961 T HN 0.389 nan 8.240 nan 0.000 0.521 962 N N 1.190 119.498 118.700 -0.654 0.000 2.258 962 N HA 0.293 5.033 4.740 0.000 0.000 0.299 962 N C -1.604 173.421 175.510 -0.809 0.000 1.047 962 N CA -0.523 52.133 53.050 -0.657 0.000 0.814 962 N CB 1.986 39.876 38.487 -0.995 0.000 1.413 962 N HN 0.562 nan 8.380 nan 0.000 0.478 963 W N 2.148 123.327 121.300 -0.202 0.000 2.329 963 W HA 0.454 5.114 4.660 0.000 0.000 0.312 963 W C -0.152 176.390 176.519 0.037 0.000 1.054 963 W CA -0.619 56.674 57.345 -0.087 0.000 1.245 963 W CB 0.819 30.266 29.460 -0.022 0.000 1.255 963 W HN 0.245 nan 8.180 nan 0.000 0.436 964 L N 3.990 125.340 121.223 0.211 0.000 2.309 964 L HA 0.899 5.239 4.340 0.000 0.000 0.282 964 L C -0.340 176.732 176.870 0.336 0.000 1.036 964 L CA -0.638 54.380 54.840 0.297 0.000 0.806 964 L CB 1.055 43.322 42.059 0.347 0.000 1.220 964 L HN 0.457 nan 8.230 nan 0.000 0.429 965 A N 5.664 128.713 122.820 0.381 0.000 2.515 965 A HA 0.896 5.216 4.320 0.000 0.000 0.298 965 A C -1.758 175.988 177.584 0.270 0.000 1.059 965 A CA -0.552 51.658 52.037 0.289 0.000 0.698 965 A CB 1.350 20.550 19.000 0.334 0.000 1.289 965 A HN 0.678 nan 8.150 nan 0.000 0.404 966 L N 1.008 122.244 121.223 0.021 0.000 2.472 966 L HA 0.627 4.967 4.340 0.000 0.000 0.260 966 L C -0.016 176.878 176.870 0.041 0.000 0.963 966 L CA -0.725 54.183 54.840 0.114 0.000 0.829 966 L CB 2.629 44.738 42.059 0.083 0.000 1.348 966 L HN 0.809 nan 8.230 nan 0.000 0.408 967 S N 1.949 117.819 115.700 0.283 0.000 2.475 967 S HA 0.790 5.260 4.470 0.000 0.000 0.298 967 S C -0.952 173.834 174.600 0.310 0.000 1.119 967 S CA -0.695 57.745 58.200 0.399 0.000 1.085 967 S CB 2.135 65.644 63.200 0.514 0.000 1.028 967 S HN 0.481 nan 8.310 nan 0.000 0.489 968 L N 3.788 125.202 121.223 0.318 0.000 2.372 968 L HA 0.602 4.942 4.340 0.000 0.000 0.273 968 L C -1.683 175.388 176.870 0.335 0.000 0.989 968 L CA -0.532 54.466 54.840 0.264 0.000 0.841 968 L CB 1.186 43.349 42.059 0.173 0.000 1.225 968 L HN 0.930 nan 8.230 nan 0.000 0.414 969 W N 6.609 127.998 121.300 0.148 0.000 2.278 969 W HA 0.726 5.386 4.660 0.000 0.000 0.317 969 W C -0.737 175.868 176.519 0.142 0.000 1.030 969 W CA -1.629 55.804 57.345 0.147 0.000 1.334 969 W CB 1.219 30.767 29.460 0.146 0.000 1.215 969 W HN 0.768 nan 8.180 nan 0.000 0.405 970 A N 5.184 128.295 122.820 0.485 0.000 2.354 970 A HA 0.341 4.661 4.320 0.000 0.000 0.281 970 A C 0.290 178.029 177.584 0.258 0.000 1.174 970 A CA -0.166 52.032 52.037 0.269 0.000 0.828 970 A CB 0.501 19.591 19.000 0.149 0.000 1.099 970 A HN 0.675 nan 8.150 nan 0.000 0.516 971 Q N 1.351 121.189 119.800 0.063 0.000 2.206 971 Q HA 0.133 4.473 4.340 0.000 0.000 0.265 971 Q C -0.638 175.356 176.000 -0.009 0.000 0.866 971 Q CA 0.070 55.868 55.803 -0.008 0.000 1.073 971 Q CB 0.298 28.878 28.738 -0.262 0.000 1.165 971 Q HN 0.953 nan 8.270 nan 0.000 0.465 972 E N -1.381 118.821 120.200 0.004 0.000 2.367 972 E HA 0.230 4.580 4.350 0.000 0.000 0.273 972 E C -0.599 175.979 176.600 -0.037 0.000 0.903 972 E CA -0.755 55.643 56.400 -0.004 0.000 0.764 972 E CB 1.101 30.800 29.700 -0.002 0.000 1.252 972 E HN -0.215 nan 8.360 nan 0.000 0.446 973 D N 1.282 121.669 120.400 -0.022 0.000 2.182 973 D HA -0.178 4.462 4.640 0.000 0.000 0.201 973 D C 1.128 177.401 176.300 -0.046 0.000 0.986 973 D CA 1.375 55.345 54.000 -0.050 0.000 0.847 973 D CB -0.181 40.626 40.800 0.011 0.000 0.942 973 D HN 0.594 nan 8.370 nan 0.000 0.467 974 N N 0.487 119.176 118.700 -0.018 0.000 2.383 974 N HA 0.042 4.782 4.740 0.000 0.000 0.192 974 N C 1.169 176.672 175.510 -0.012 0.000 1.141 974 N CA 0.838 53.882 53.050 -0.010 0.000 0.851 974 N CB 0.272 38.761 38.487 0.003 0.000 0.976 974 N HN 0.170 nan 8.380 nan 0.000 0.465 975 G N 0.060 108.849 108.800 -0.018 0.000 2.593 975 G HA2 0.228 4.188 3.960 0.000 0.000 0.237 975 G HA3 0.228 4.188 3.960 0.000 0.000 0.237 975 G C -0.802 174.092 174.900 -0.011 0.000 1.312 975 G CA 0.252 45.346 45.100 -0.009 0.000 0.896 975 G HN 1.065 nan 8.290 nan 0.000 0.574 976 A N -0.641 122.146 122.820 -0.055 0.000 2.599 976 A HA 0.919 5.239 4.320 0.000 0.000 0.294 976 A C -0.557 176.866 177.584 -0.269 0.000 1.055 976 A CA 0.632 52.569 52.037 -0.168 0.000 0.683 976 A CB 1.485 20.353 19.000 -0.220 0.000 1.278 976 A HN 2.158 nan 8.150 nan 0.000 0.412 977 K N 1.018 121.187 120.400 -0.385 0.000 2.575 977 K HA 0.722 5.042 4.320 0.000 0.000 0.279 977 K C -1.685 174.658 176.600 -0.427 0.000 0.969 977 K CA -0.915 55.145 56.287 -0.379 0.000 0.868 977 K CB 1.204 33.586 32.500 -0.197 0.000 1.457 977 K HN 0.528 nan 8.250 nan 0.000 0.426 978 L N 1.835 122.766 121.223 -0.487 0.000 2.326 978 L HA 0.243 4.584 4.340 0.000 0.000 0.278 978 L C 0.140 176.911 176.870 -0.165 0.000 1.092 978 L CA -0.537 54.062 54.840 -0.401 0.000 0.810 978 L CB 0.897 42.501 42.059 -0.758 0.000 1.153 978 L HN 0.762 nan 8.230 nan 0.000 0.439 979 D N 0.080 120.506 120.400 0.044 0.000 2.379 979 D HA 0.026 4.666 4.640 0.000 0.000 0.218 979 D C 0.399 176.869 176.300 0.283 0.000 1.006 979 D CA 0.682 54.786 54.000 0.175 0.000 0.893 979 D CB 1.008 41.887 40.800 0.132 0.000 1.019 979 D HN 0.379 nan 8.370 nan 0.000 0.503 980 S N -0.166 115.688 115.700 0.258 0.000 2.736 980 S HA 0.478 4.948 4.470 0.000 0.000 0.285 980 S C -1.984 172.800 174.600 0.307 0.000 1.163 980 S CA -0.621 57.757 58.200 0.297 0.000 1.025 980 S CB 0.483 63.799 63.200 0.194 0.000 1.030 980 S HN 0.007 nan 8.310 nan 0.000 0.486 981 F N 4.482 124.525 119.950 0.154 0.000 2.730 981 F HA 0.566 5.093 4.527 0.000 0.000 0.335 981 F C -0.930 174.917 175.800 0.079 0.000 1.212 981 F CA -0.645 57.316 58.000 -0.064 0.000 1.016 981 F CB 1.198 40.030 39.000 -0.279 0.000 1.290 981 F HN 0.643 nan 8.300 nan 0.000 0.495 982 E N 4.614 124.643 120.200 -0.285 0.000 2.392 982 E HA 0.559 4.909 4.350 0.000 0.000 0.269 982 E C -1.974 174.363 176.600 -0.438 0.000 0.924 982 E CA -1.462 54.738 56.400 -0.332 0.000 0.784 982 E CB 3.136 32.743 29.700 -0.155 0.000 1.292 982 E HN 0.460 nan 8.360 nan 0.000 0.447 983 L N 2.775 123.708 121.223 -0.484 0.000 2.280 983 L HA 0.488 4.828 4.340 0.000 0.000 0.287 983 L C -1.222 175.416 176.870 -0.387 0.000 1.023 983 L CA -0.407 54.056 54.840 -0.627 0.000 0.819 983 L CB 0.616 42.173 42.059 -0.837 0.000 1.212 983 L HN 0.556 nan 8.230 nan 0.000 0.420 984 I N 2.148 122.561 120.570 -0.262 0.000 3.108 984 I HA 0.770 4.940 4.170 0.000 0.000 0.312 984 I C -0.855 175.218 176.117 -0.072 0.000 1.095 984 I CA -0.715 60.492 61.300 -0.155 0.000 1.000 984 I CB 2.200 40.138 38.000 -0.103 0.000 1.229 984 I HN 0.706 nan 8.210 nan 0.000 0.454 985 N N 0.051 118.716 118.700 -0.059 0.000 2.312 985 N HA 0.822 5.562 4.740 0.000 0.000 0.296 985 N C -0.635 174.887 175.510 0.021 0.000 1.193 985 N CA -0.384 52.669 53.050 0.005 0.000 0.773 985 N CB 2.000 40.446 38.487 -0.068 0.000 1.435 985 N HN 0.918 nan 8.380 nan 0.000 0.484 986 T N -2.710 111.895 114.554 0.085 0.000 2.889 986 T HA 0.405 4.755 4.350 0.000 0.000 0.278 986 T C -0.054 174.669 174.700 0.039 0.000 0.995 986 T CA -0.789 61.342 62.100 0.052 0.000 0.966 986 T CB 0.225 69.154 68.868 0.102 0.000 1.237 986 T HN 0.491 nan 8.240 nan 0.000 0.591 987 T N 3.654 118.222 114.554 0.024 0.000 2.709 987 T HA 0.126 4.476 4.350 0.000 0.000 0.269 987 T C -2.329 172.396 174.700 0.040 0.000 1.008 987 T CA -0.137 61.974 62.100 0.018 0.000 1.194 987 T CB -0.657 68.192 68.868 -0.032 0.000 0.986 987 T HN 0.434 nan 8.240 nan 0.000 0.508 988 P HA 0.258 nan 4.420 nan 0.000 0.276 988 P C -0.736 176.741 177.300 0.296 0.000 1.243 988 P CA -0.383 62.802 63.100 0.143 0.000 0.768 988 P CB 0.578 32.270 31.700 -0.013 0.000 0.856 989 V N 5.509 125.562 119.914 0.233 0.000 2.370 989 V HA 0.137 4.257 4.120 0.000 0.000 0.279 989 V C 0.333 176.555 176.094 0.214 0.000 1.029 989 V CA -0.782 61.590 62.300 0.121 0.000 0.870 989 V CB 1.257 32.991 31.823 -0.149 0.000 0.984 989 V HN 0.402 nan 8.190 nan 0.000 0.451 990 L N 5.747 127.106 121.223 0.227 0.000 2.500 990 L HA 0.383 4.723 4.340 0.000 0.000 0.272 990 L C 0.356 177.219 176.870 -0.012 0.000 1.149 990 L CA 1.373 56.156 54.840 -0.096 0.000 0.897 990 L CB 0.682 42.816 42.059 0.126 0.000 1.178 990 L HN 0.837 nan 8.230 nan 0.000 0.473 991 T N 1.707 116.206 114.554 -0.093 0.000 2.916 991 T HA 0.507 4.857 4.350 0.000 0.000 0.292 991 T C 0.708 175.381 174.700 -0.044 0.000 1.064 991 T CA 0.027 62.099 62.100 -0.048 0.000 1.011 991 T CB 1.469 70.323 68.868 -0.023 0.000 1.152 991 T HN 0.681 nan 8.240 nan 0.000 0.510 992 S N 2.134 117.807 115.700 -0.045 0.000 2.539 992 S HA 0.260 4.730 4.470 0.000 0.000 0.221 992 S C 0.403 174.984 174.600 -0.031 0.000 0.987 992 S CA -0.464 57.719 58.200 -0.029 0.000 0.929 992 S CB -0.257 62.925 63.200 -0.030 0.000 0.832 992 S HN 0.540 nan 8.310 nan 0.000 0.492 993 L N 3.650 124.851 121.223 -0.038 0.000 2.455 993 L HA 0.535 4.876 4.340 0.000 0.000 0.272 993 L C 0.837 177.689 176.870 -0.030 0.000 1.174 993 L CA 0.202 55.020 54.840 -0.037 0.000 0.869 993 L CB -0.027 42.008 42.059 -0.039 0.000 1.130 993 L HN 0.317 nan 8.230 nan 0.000 0.474 994 G N 3.703 112.484 108.800 -0.033 0.000 2.614 994 G HA2 0.045 4.005 3.960 0.000 0.000 0.239 994 G HA3 0.045 4.005 3.960 0.000 0.000 0.239 994 G C -0.316 174.562 174.900 -0.037 0.000 1.240 994 G CA -0.522 44.559 45.100 -0.032 0.000 0.842 994 G HN 0.831 nan 8.290 nan 0.000 0.584 995 E N -0.202 119.978 120.200 -0.035 0.000 2.415 995 E HA 0.133 4.483 4.350 0.000 0.000 0.263 995 E C 0.162 176.727 176.600 -0.057 0.000 0.995 995 E CA -0.467 55.911 56.400 -0.037 0.000 0.915 995 E CB 0.588 30.262 29.700 -0.043 0.000 0.951 995 E HN 0.124 nan 8.360 nan 0.000 0.449 996 V N 5.361 125.227 119.914 -0.079 0.000 2.637 996 V HA 0.021 4.141 4.120 0.000 0.000 0.296 996 V C 0.273 176.308 176.094 -0.098 0.000 1.046 996 V CA 0.196 62.426 62.300 -0.115 0.000 1.066 996 V CB 0.881 32.593 31.823 -0.185 0.000 0.968 996 V HN 0.634 nan 8.190 nan 0.000 0.483 997 K N 3.104 123.447 120.400 -0.096 0.000 2.201 997 K HA 0.387 4.707 4.320 0.000 0.000 0.278 997 K C 0.084 176.630 176.600 -0.091 0.000 1.027 997 K CA -0.269 55.974 56.287 -0.073 0.000 0.909 997 K CB 1.085 33.550 32.500 -0.059 0.000 1.062 997 K HN 0.641 nan 8.250 nan 0.000 0.465 998 S N 1.741 117.402 115.700 -0.064 0.000 2.549 998 S HA 0.044 4.514 4.470 0.000 0.000 0.283 998 S C 0.493 175.056 174.600 -0.062 0.000 1.320 998 S CA -0.895 57.265 58.200 -0.067 0.000 1.058 998 S CB 0.507 63.696 63.200 -0.019 0.000 0.882 998 S HN 0.446 nan 8.310 nan 0.000 0.498 999 V N 2.260 122.118 119.914 -0.094 0.000 3.264 999 V HA 0.322 4.442 4.120 0.000 0.000 0.304 999 V C 0.519 176.628 176.094 0.026 0.000 1.086 999 V CA -1.088 61.169 62.300 -0.071 0.000 1.090 999 V CB 0.386 32.105 31.823 -0.173 0.000 1.112 999 V HN 0.896 nan 8.190 nan 0.000 0.472 1000 N N 1.318 120.060 118.700 0.069 0.000 2.411 1000 N HA 0.073 4.813 4.740 0.000 0.000 0.261 1000 N C -0.330 175.298 175.510 0.196 0.000 1.248 1000 N CA 0.037 53.154 53.050 0.111 0.000 0.885 1000 N CB 0.242 38.795 38.487 0.109 0.000 1.062 1000 N HN 0.793 nan 8.380 nan 0.000 0.471 1001 Q N 3.509 123.402 119.800 0.155 0.000 2.965 1001 Q HA 0.284 4.624 4.340 0.000 0.000 0.288 1001 Q C -2.440 173.603 176.000 0.072 0.000 0.974 1001 Q CA -1.616 54.293 55.803 0.175 0.000 0.849 1001 Q CB 1.523 30.376 28.738 0.191 0.000 1.280 1001 Q HN 0.542 nan 8.270 nan 0.000 0.441 1002 P HA -0.128 nan 4.420 nan 0.000 0.260 1002 P C -0.475 176.790 177.300 -0.057 0.000 1.172 1002 P CA 0.510 63.603 63.100 -0.013 0.000 0.760 1002 P CB 0.594 32.285 31.700 -0.015 0.000 0.773 1003 K N 2.361 122.716 120.400 -0.075 0.000 2.107 1003 K HA 0.169 4.489 4.320 0.000 0.000 0.251 1003 K C 0.155 176.685 176.600 -0.116 0.000 1.012 1003 K CA -0.587 55.630 56.287 -0.118 0.000 0.920 1003 K CB 0.243 32.668 32.500 -0.125 0.000 1.033 1003 K HN 0.384 nan 8.250 nan 0.000 0.478 1004 Y N 1.491 121.659 120.300 -0.220 0.000 2.610 1004 Y HA -0.087 4.463 4.550 0.000 0.000 0.332 1004 Y C -0.549 175.280 175.900 -0.118 0.000 1.201 1004 Y CA 0.686 58.685 58.100 -0.169 0.000 1.465 1004 Y CB 0.527 38.891 38.460 -0.161 0.000 1.283 1004 Y HN 0.389 nan 8.280 nan 0.000 0.563 1005 Q N 4.541 123.662 119.800 -1.132 0.000 2.289 1005 Q HA 0.594 4.934 4.340 0.000 0.000 0.270 1005 Q C -1.095 174.302 176.000 -1.006 0.000 1.038 1005 Q CA -1.044 54.202 55.803 -0.929 0.000 0.812 1005 Q CB 2.035 30.525 28.738 -0.413 0.000 1.300 1005 Q HN 0.960 nan 8.270 nan 0.000 0.427 1006 A N 2.832 125.228 122.820 -0.706 0.000 2.548 1006 A HA 0.120 4.440 4.320 0.000 0.000 0.247 1006 A C -0.291 177.178 177.584 -0.192 0.000 1.067 1006 A CA 0.445 52.330 52.037 -0.253 0.000 0.757 1006 A CB 0.109 19.087 19.000 -0.037 0.000 0.996 1006 A HN 0.614 nan 8.150 nan 0.000 0.504 1007 R N 1.968 122.389 120.500 -0.131 0.000 2.312 1007 R HA 0.291 4.631 4.340 0.000 0.000 0.311 1007 R C 0.033 176.288 176.300 -0.076 0.000 1.004 1007 R CA -0.598 55.430 56.100 -0.120 0.000 0.902 1007 R CB 1.421 31.636 30.300 -0.142 0.000 1.073 1007 R HN 0.790 nan 8.270 nan 0.000 0.457 1008 K N 1.026 121.389 120.400 -0.062 0.000 2.350 1008 K HA 0.113 4.433 4.320 0.000 0.000 0.279 1008 K C 0.654 177.239 176.600 -0.025 0.000 1.027 1008 K CA 0.883 57.151 56.287 -0.032 0.000 0.969 1008 K CB 0.655 33.139 32.500 -0.026 0.000 0.954 1008 K HN 0.777 nan 8.250 nan 0.000 0.474 1009 G N 1.728 110.534 108.800 0.008 0.000 2.148 1009 G HA2 -0.299 3.661 3.960 0.000 0.000 0.254 1009 G HA3 -0.299 3.661 3.960 0.000 0.000 0.254 1009 G C 0.118 175.031 174.900 0.021 0.000 0.981 1009 G CA 0.264 45.392 45.100 0.046 0.000 0.670 1009 G HN 0.894 nan 8.290 nan 0.000 0.528 1010 A N -0.447 122.337 122.820 -0.060 0.000 2.332 1010 A HA 0.862 5.182 4.320 0.000 0.000 0.258 1010 A C 0.014 177.568 177.584 -0.051 0.000 1.087 1010 A CA 0.688 52.595 52.037 -0.216 0.000 0.802 1010 A CB 0.483 19.358 19.000 -0.207 0.000 1.042 1010 A HN 1.832 nan 8.150 nan 0.000 0.489 1011 Y N 0.000 120.335 120.300 0.058 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 38.611 38.460 0.251 0.000 1.050 1011 Y HN 0.000 nan 8.280 nan 0.000 0.758