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 1mwv_1_B DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAWHSA GTYRTADGRG GAGEGQQRFA DATA SEQUENCE PLNSWPDNAN LDKARRLLWP IKQKYGRAIS WADLLILTGN VALESMGFKT DATA SEQUENCE FGFAGGRADT WEPEDVYWGS EKIWLELSGG PNSRYSGDRQ LENPLAAVQM DATA SEQUENCE GLIYVNPEGP DGNPDPVAAA RDIRDTFARM AMNDEETVAL IAGGHTFGKT DATA SEQUENCE HGAGPASNVG AEPEAAGIEA QGLGWKSAYR TGKGADAITS GLEVTWTTTP DATA SEQUENCE TQWSHNFFEN LFGYEWELTK SPAGAHQWVA KGADAVIPDA FDPSKKHRPT DATA SEQUENCE MLTTDLSLRF DPAYEKISRR FHENPEQFAD AFARAWFKLT HRDMGPRARY DATA SEQUENCE LGPEVPAEVL LWQDPIPAVD HPLIDAADAA ELKAKVLASG LTVSQLVSTA DATA SEQUENCE WAAASTFRGS DKRGGANGAR IRLAPQKDWE ANQPEQLAAV LETLEAIRTA DATA SEQUENCE FNGAQRGGKQ VSLADLIVLA GCAGVEQAAK NAGHAVTVPF APGRADASQE DATA SEQUENCE QTDVESMAVL EPVADGFRNY LKGKYRVPAE VLLVDKAQLL TLSAPEMTVL DATA SEQUENCE LGGLRVLGAN VGQSRHGVFT AREQALTNDF FVNLLDMGTE WKPTAADADV DATA SEQUENCE FEGRDRATGE LKWTGTRVDL VFGSHSQLRA LAEVYGSADA QEKFVRDFVA DATA SEQUENCE VWNKVMNLDR FDLA 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 35 N HA 0.000 nan 4.740 nan 0.000 0.220 35 N C 0.000 175.481 175.510 -0.049 0.000 1.280 35 N CA 0.000 53.026 53.050 -0.039 0.000 0.885 35 N CB 0.000 38.471 38.487 -0.027 0.000 1.341 36 G N 0.427 109.206 108.800 -0.036 0.000 2.491 36 G HA2 0.462 4.425 3.960 0.005 0.000 0.242 36 G HA3 0.462 4.425 3.960 0.005 0.000 0.242 36 G C 0.203 175.058 174.900 -0.075 0.000 1.266 36 G CA 0.989 46.069 45.100 -0.034 0.000 0.844 36 G HN 0.912 nan 8.290 nan 0.000 0.571 37 T N 0.946 115.438 114.554 -0.104 0.000 2.884 37 T HA 0.430 4.783 4.350 0.005 0.000 0.298 37 T C 0.884 175.495 174.700 -0.147 0.000 0.998 37 T CA 0.043 61.995 62.100 -0.247 0.000 1.124 37 T CB 0.986 69.602 68.868 -0.421 0.000 0.931 37 T HN 0.829 nan 8.240 nan 0.000 0.531 38 S N 2.467 118.045 115.700 -0.203 0.000 2.726 38 S HA 0.404 4.877 4.470 0.005 0.000 0.308 38 S C 1.044 175.660 174.600 0.027 0.000 1.115 38 S CA -0.963 57.221 58.200 -0.026 0.000 0.965 38 S CB 1.096 64.288 63.200 -0.013 0.000 1.145 38 S HN 0.477 nan 8.310 nan 0.000 0.532 39 N N 0.759 119.591 118.700 0.221 0.000 2.166 39 N HA -0.076 4.667 4.740 0.005 0.000 0.186 39 N C 1.632 177.312 175.510 0.283 0.000 1.019 39 N CA 1.067 54.366 53.050 0.414 0.000 0.856 39 N CB -0.651 38.105 38.487 0.449 0.000 0.993 39 N HN 0.649 nan 8.380 nan 0.000 0.426 40 R N 1.056 121.639 120.500 0.138 0.000 2.120 40 R HA -0.060 4.283 4.340 0.005 0.000 0.234 40 R C 1.148 177.440 176.300 -0.013 0.000 1.123 40 R CA 1.222 57.375 56.100 0.088 0.000 0.975 40 R CB -0.042 30.288 30.300 0.051 0.000 0.866 40 R HN 0.175 nan 8.270 nan 0.000 0.446 41 D N -0.934 119.378 120.400 -0.147 0.000 2.084 41 D HA -0.196 4.447 4.640 0.005 0.000 0.194 41 D C 1.707 177.790 176.300 -0.363 0.000 0.990 41 D CA 1.358 55.170 54.000 -0.313 0.000 0.826 41 D CB -0.499 39.978 40.800 -0.538 0.000 0.971 41 D HN 0.341 nan 8.370 nan 0.000 0.453 42 W N -0.192 120.853 121.300 -0.424 0.000 2.363 42 W HA -0.079 4.584 4.660 0.005 0.000 0.296 42 W C 0.680 176.625 176.519 -0.958 0.000 1.212 42 W CA 0.157 56.947 57.345 -0.926 0.000 1.260 42 W CB 0.064 28.416 29.460 -1.845 0.000 1.131 42 W HN -0.027 nan 8.180 nan 0.000 0.530 43 W N 0.878 122.308 121.300 0.217 0.000 2.291 43 W HA 0.230 4.893 4.660 0.005 0.000 0.288 43 W C -1.999 174.565 176.519 0.074 0.000 0.976 43 W CA -1.775 55.644 57.345 0.123 0.000 1.744 43 W CB -0.130 29.389 29.460 0.098 0.000 1.815 43 W HN -0.177 nan 8.180 nan 0.000 0.396 44 P HA -0.081 nan 4.420 nan 0.000 0.229 44 P C 0.663 178.023 177.300 0.099 0.000 1.160 44 P CA 1.178 64.334 63.100 0.092 0.000 0.777 44 P CB 0.525 32.245 31.700 0.034 0.000 0.814 45 N N -0.475 118.299 118.700 0.123 0.000 2.214 45 N HA 0.058 4.801 4.740 0.005 0.000 0.214 45 N C 0.765 176.332 175.510 0.095 0.000 1.132 45 N CA 0.021 53.123 53.050 0.088 0.000 0.856 45 N CB 0.314 38.846 38.487 0.074 0.000 1.020 45 N HN 0.279 nan 8.380 nan 0.000 0.509 46 Q N 0.517 120.400 119.800 0.138 0.000 2.396 46 Q HA 0.283 4.626 4.340 0.005 0.000 0.221 46 Q C -0.605 175.463 176.000 0.113 0.000 1.025 46 Q CA -0.452 55.429 55.803 0.130 0.000 0.946 46 Q CB 0.659 29.491 28.738 0.157 0.000 1.224 46 Q HN 0.049 nan 8.270 nan 0.000 0.539 47 L N 2.105 123.413 121.223 0.141 0.000 2.331 47 L HA 0.254 4.597 4.340 0.005 0.000 0.278 47 L C -1.063 175.853 176.870 0.077 0.000 1.106 47 L CA 0.386 55.255 54.840 0.047 0.000 0.824 47 L CB 1.107 43.118 42.059 -0.081 0.000 1.142 47 L HN 0.670 nan 8.230 nan 0.000 0.443 48 D N 3.968 124.374 120.400 0.011 0.000 2.443 48 D HA 0.195 4.838 4.640 0.005 0.000 0.221 48 D C 0.739 177.022 176.300 -0.029 0.000 1.097 48 D CA -0.056 53.960 54.000 0.027 0.000 0.865 48 D CB 0.519 41.336 40.800 0.027 0.000 1.034 48 D HN 0.558 nan 8.370 nan 0.000 0.511 49 L N 2.161 123.375 121.223 -0.016 0.000 2.492 49 L HA -0.007 4.336 4.340 0.005 0.000 0.223 49 L C 1.969 178.786 176.870 -0.089 0.000 1.132 49 L CA 0.127 54.924 54.840 -0.071 0.000 0.850 49 L CB -0.067 41.992 42.059 -0.000 0.000 0.966 49 L HN 0.314 nan 8.230 nan 0.000 0.454 50 S N 0.954 116.658 115.700 0.006 0.000 2.419 50 S HA -0.175 4.298 4.470 0.005 0.000 0.235 50 S C 1.956 176.524 174.600 -0.053 0.000 1.019 50 S CA 1.443 59.664 58.200 0.034 0.000 0.982 50 S CB -0.312 62.927 63.200 0.065 0.000 0.789 50 S HN 0.586 nan 8.310 nan 0.000 0.490 51 I N -0.711 119.807 120.570 -0.087 0.000 2.567 51 I HA -0.091 4.082 4.170 0.005 0.000 0.257 51 I C 1.432 177.447 176.117 -0.171 0.000 1.184 51 I CA 1.457 62.692 61.300 -0.107 0.000 1.451 51 I CB -0.341 37.604 38.000 -0.093 0.000 1.089 51 I HN 0.183 nan 8.210 nan 0.000 0.441 52 L N 0.137 121.172 121.223 -0.313 0.000 2.558 52 L HA 0.068 4.411 4.340 0.005 0.000 0.225 52 L C 0.907 177.541 176.870 -0.393 0.000 1.128 52 L CA 0.559 55.161 54.840 -0.396 0.000 0.868 52 L CB -0.549 41.211 42.059 -0.498 0.000 1.006 52 L HN 0.403 nan 8.230 nan 0.000 0.454 53 H N -1.539 117.546 119.070 0.025 0.000 2.575 53 H HA 0.256 4.815 4.556 0.005 0.000 0.256 53 H C 0.220 175.579 175.328 0.052 0.000 1.162 53 H CA -0.685 55.389 56.048 0.044 0.000 0.969 53 H CB 0.449 30.241 29.762 0.049 0.000 1.796 53 H HN 0.000 nan 8.280 nan 0.000 0.607 54 R N 0.148 120.700 120.500 0.086 0.000 2.726 54 R HA 0.101 4.444 4.340 0.005 0.000 0.272 54 R C 0.240 176.677 176.300 0.229 0.000 1.097 54 R CA 0.023 56.186 56.100 0.105 0.000 1.198 54 R CB 0.078 30.379 30.300 0.002 0.000 1.114 54 R HN 0.678 nan 8.270 nan 0.000 0.550 55 H N -1.884 117.233 119.070 0.078 0.000 3.237 55 H HA -0.159 4.400 4.556 0.005 0.000 0.231 55 H C 0.054 175.448 175.328 0.111 0.000 1.148 55 H CA 0.516 56.627 56.048 0.105 0.000 1.155 55 H CB -0.908 28.912 29.762 0.098 0.000 1.210 55 H HN 0.720 nan 8.280 nan 0.000 0.317 56 S N 0.492 116.315 115.700 0.205 0.000 2.584 56 S HA 0.139 4.612 4.470 0.005 0.000 0.270 56 S C 1.691 176.354 174.600 0.105 0.000 1.346 56 S CA 0.062 58.347 58.200 0.142 0.000 1.018 56 S CB 1.690 64.957 63.200 0.111 0.000 0.899 56 S HN 0.422 nan 8.310 nan 0.000 0.542 57 S N 2.568 118.317 115.700 0.081 0.000 2.440 57 S HA -0.148 4.325 4.470 0.005 0.000 0.240 57 S C 1.702 176.314 174.600 0.021 0.000 1.014 57 S CA 1.257 59.489 58.200 0.052 0.000 0.980 57 S CB -1.010 62.217 63.200 0.045 0.000 0.775 57 S HN 0.699 nan 8.310 nan 0.000 0.499 58 L N 1.972 123.212 121.223 0.028 0.000 2.046 58 L HA -0.086 4.257 4.340 0.005 0.000 0.208 58 L C 3.004 179.868 176.870 -0.011 0.000 1.077 58 L CA 1.588 56.433 54.840 0.008 0.000 0.747 58 L CB -0.833 41.237 42.059 0.018 0.000 0.896 58 L HN 0.587 nan 8.230 nan 0.000 0.432 59 S N -2.297 113.410 115.700 0.011 0.000 2.527 59 S HA -0.051 4.422 4.470 0.005 0.000 0.222 59 S C 0.672 175.234 174.600 -0.063 0.000 0.985 59 S CA -0.145 58.058 58.200 0.004 0.000 0.921 59 S CB -0.269 62.965 63.200 0.057 0.000 0.772 59 S HN 0.286 nan 8.310 nan 0.000 0.529 60 D N 2.890 123.225 120.400 -0.109 0.000 2.280 60 D HA 0.291 4.934 4.640 0.005 0.000 0.243 60 D C -1.474 174.562 176.300 -0.441 0.000 1.129 60 D CA -2.253 51.548 54.000 -0.331 0.000 0.848 60 D CB 1.831 42.578 40.800 -0.088 0.000 1.107 60 D HN 0.050 nan 8.370 nan 0.000 0.471 61 P HA -0.012 nan 4.420 nan 0.000 0.229 61 P C 0.480 177.535 177.300 -0.409 0.000 1.160 61 P CA 0.251 63.038 63.100 -0.520 0.000 0.777 61 P CB 0.269 31.576 31.700 -0.654 0.000 0.814 62 M N 0.222 119.559 119.600 -0.439 0.000 2.247 62 M HA 0.338 4.821 4.480 0.005 0.000 0.326 62 M C 1.291 177.533 176.300 -0.097 0.000 1.134 62 M CA -0.864 54.256 55.300 -0.300 0.000 1.136 62 M CB -0.400 31.979 32.600 -0.368 0.000 1.454 62 M HN -0.190 nan 8.290 nan 0.000 0.467 63 G N 1.090 109.883 108.800 -0.012 0.000 2.664 63 G HA2 0.097 4.060 3.960 0.005 0.000 0.242 63 G HA3 0.097 4.060 3.960 0.005 0.000 0.242 63 G C 0.661 175.629 174.900 0.114 0.000 1.225 63 G CA -0.369 44.763 45.100 0.054 0.000 0.849 63 G HN 0.785 nan 8.290 nan 0.000 0.581 64 K N -0.469 119.982 120.400 0.084 0.000 2.209 64 K HA -0.044 4.279 4.320 0.005 0.000 0.204 64 K C 1.513 178.184 176.600 0.118 0.000 1.048 64 K CA 1.420 57.763 56.287 0.093 0.000 0.940 64 K CB 0.186 32.724 32.500 0.062 0.000 0.729 64 K HN 0.386 nan 8.250 nan 0.000 0.451 65 D N -0.648 119.826 120.400 0.122 0.000 2.340 65 D HA -0.038 4.605 4.640 0.005 0.000 0.220 65 D C -0.206 176.187 176.300 0.155 0.000 1.039 65 D CA -0.023 54.044 54.000 0.111 0.000 0.866 65 D CB -0.099 40.751 40.800 0.084 0.000 0.913 65 D HN 0.032 nan 8.370 nan 0.000 0.523 66 F N 2.391 122.382 119.950 0.069 0.000 2.612 66 F HA 0.032 4.562 4.527 0.005 0.000 0.389 66 F C 0.522 176.396 175.800 0.124 0.000 1.055 66 F CA -0.069 57.990 58.000 0.099 0.000 1.232 66 F CB 0.268 39.337 39.000 0.114 0.000 1.044 66 F HN -0.247 nan 8.300 nan 0.000 0.560 67 N N 6.185 124.507 118.700 -0.630 0.000 2.524 67 N HA 0.005 4.748 4.740 0.005 0.000 0.261 67 N C 0.259 175.317 175.510 -0.754 0.000 0.998 67 N CA -0.433 52.324 53.050 -0.489 0.000 0.915 67 N CB 0.396 38.757 38.487 -0.209 0.000 1.187 67 N HN 0.782 nan 8.380 nan 0.000 0.507 68 Y N 4.563 124.427 120.300 -0.727 0.000 2.224 68 Y HA -0.053 4.500 4.550 0.005 0.000 0.289 68 Y C 1.964 177.794 175.900 -0.117 0.000 1.146 68 Y CA 2.150 59.996 58.100 -0.424 0.000 1.182 68 Y CB -0.141 38.313 38.460 -0.010 0.000 0.983 68 Y HN 0.635 nan 8.280 nan 0.000 0.524 69 A N 0.365 123.027 122.820 -0.262 0.000 1.908 69 A HA -0.286 4.037 4.320 0.005 0.000 0.218 69 A C 2.130 179.609 177.584 -0.175 0.000 1.181 69 A CA 2.110 54.011 52.037 -0.227 0.000 0.627 69 A CB -0.774 18.180 19.000 -0.076 0.000 0.818 69 A HN 0.681 nan 8.150 nan 0.000 0.445 70 Q N -0.854 118.847 119.800 -0.167 0.000 2.124 70 Q HA -0.078 4.265 4.340 0.005 0.000 0.202 70 Q C 2.418 178.359 176.000 -0.098 0.000 0.977 70 Q CA 1.268 57.005 55.803 -0.109 0.000 0.850 70 Q CB -0.354 28.328 28.738 -0.092 0.000 0.901 70 Q HN 0.709 nan 8.270 nan 0.000 0.429 71 A N 0.486 123.224 122.820 -0.137 0.000 1.873 71 A HA -0.166 4.157 4.320 0.005 0.000 0.215 71 A C 1.840 179.390 177.584 -0.056 0.000 1.186 71 A CA 0.933 52.959 52.037 -0.017 0.000 0.616 71 A CB -0.745 18.355 19.000 0.166 0.000 0.823 71 A HN 0.435 nan 8.150 nan 0.000 0.442 72 F N 0.846 120.569 119.950 -0.378 0.000 2.171 72 F HA -0.129 4.401 4.527 0.005 0.000 0.300 72 F C 2.149 177.855 175.800 -0.157 0.000 1.090 72 F CA 1.898 59.706 58.000 -0.320 0.000 1.293 72 F CB 0.044 38.697 39.000 -0.579 0.000 1.013 72 F HN 0.187 nan 8.300 nan 0.000 0.486 73 E N 0.527 120.691 120.200 -0.059 0.000 2.268 73 E HA -0.165 4.188 4.350 0.005 0.000 0.195 73 E C 1.824 178.339 176.600 -0.141 0.000 0.995 73 E CA 0.961 57.318 56.400 -0.071 0.000 0.836 73 E CB -0.182 29.517 29.700 -0.002 0.000 0.763 73 E HN 0.513 nan 8.360 nan 0.000 0.491 74 K N 0.080 120.399 120.400 -0.134 0.000 2.379 74 K HA 0.062 4.385 4.320 0.005 0.000 0.194 74 K C 0.736 177.257 176.600 -0.131 0.000 1.031 74 K CA -0.328 55.898 56.287 -0.102 0.000 1.037 74 K CB 0.259 32.732 32.500 -0.045 0.000 0.824 74 K HN -0.043 nan 8.250 nan 0.000 0.516 75 L N 2.205 123.287 121.223 -0.235 0.000 2.490 75 L HA -0.014 4.329 4.340 0.005 0.000 0.274 75 L C -0.025 176.705 176.870 -0.233 0.000 1.201 75 L CA 0.396 55.093 54.840 -0.237 0.000 0.869 75 L CB 0.461 42.261 42.059 -0.431 0.000 1.123 75 L HN -0.017 nan 8.230 nan 0.000 0.484 76 D N 4.097 124.417 120.400 -0.133 0.000 2.470 76 D HA -0.008 4.635 4.640 0.005 0.000 0.226 76 D C 0.974 177.156 176.300 -0.196 0.000 1.196 76 D CA -0.051 53.881 54.000 -0.114 0.000 0.979 76 D CB 0.350 41.142 40.800 -0.012 0.000 1.059 76 D HN 0.637 nan 8.370 nan 0.000 0.515 77 L N 4.231 125.323 121.223 -0.220 0.000 2.046 77 L HA -0.092 4.251 4.340 0.005 0.000 0.208 77 L C 2.126 178.900 176.870 -0.159 0.000 1.077 77 L CA 2.043 56.753 54.840 -0.217 0.000 0.747 77 L CB -0.542 41.435 42.059 -0.138 0.000 0.896 77 L HN 0.378 nan 8.230 nan 0.000 0.432 78 A N -0.525 122.235 122.820 -0.100 0.000 1.908 78 A HA -0.169 4.154 4.320 0.005 0.000 0.218 78 A C 2.459 180.008 177.584 -0.058 0.000 1.181 78 A CA 1.932 53.932 52.037 -0.062 0.000 0.627 78 A CB -1.162 17.814 19.000 -0.040 0.000 0.818 78 A HN 0.574 nan 8.150 nan 0.000 0.445 79 A N -0.548 122.236 122.820 -0.060 0.000 1.902 79 A HA 0.001 4.324 4.320 0.005 0.000 0.217 79 A C 2.219 179.773 177.584 -0.050 0.000 1.181 79 A CA 1.789 53.825 52.037 -0.001 0.000 0.623 79 A CB -0.961 18.101 19.000 0.104 0.000 0.818 79 A HN 0.437 nan 8.150 nan 0.000 0.443 80 V N 0.272 119.992 119.914 -0.323 0.000 2.332 80 V HA -0.298 3.825 4.120 0.005 0.000 0.248 80 V C 2.412 178.394 176.094 -0.186 0.000 1.055 80 V CA 2.390 64.407 62.300 -0.471 0.000 1.038 80 V CB -0.746 30.665 31.823 -0.687 0.000 0.651 80 V HN 0.544 nan 8.190 nan 0.000 0.450 81 K N -0.212 120.107 120.400 -0.134 0.000 2.097 81 K HA -0.122 4.201 4.320 0.005 0.000 0.205 81 K C 2.401 179.059 176.600 0.097 0.000 1.050 81 K CA 1.201 57.465 56.287 -0.038 0.000 0.938 81 K CB -0.229 32.267 32.500 -0.007 0.000 0.718 81 K HN 0.418 nan 8.250 nan 0.000 0.442 82 R N 0.880 121.421 120.500 0.067 0.000 2.081 82 R HA -0.122 4.221 4.340 0.005 0.000 0.235 82 R C 1.760 178.118 176.300 0.096 0.000 1.131 82 R CA 1.463 57.617 56.100 0.089 0.000 0.960 82 R CB -0.211 30.112 30.300 0.039 0.000 0.856 82 R HN 0.197 nan 8.270 nan 0.000 0.436 83 D N 0.754 121.196 120.400 0.070 0.000 2.144 83 D HA -0.117 4.526 4.640 0.005 0.000 0.199 83 D C 1.978 178.301 176.300 0.038 0.000 0.984 83 D CA 0.987 55.029 54.000 0.071 0.000 0.834 83 D CB -0.079 40.793 40.800 0.121 0.000 0.955 83 D HN 0.170 nan 8.370 nan 0.000 0.465 84 L N 0.207 121.421 121.223 -0.015 0.000 2.056 84 L HA -0.161 4.182 4.340 0.005 0.000 0.207 84 L C 2.521 179.349 176.870 -0.070 0.000 1.078 84 L CA 0.965 55.746 54.840 -0.098 0.000 0.749 84 L CB -0.390 41.548 42.059 -0.202 0.000 0.901 84 L HN 0.183 nan 8.230 nan 0.000 0.433 85 H N -0.311 118.746 119.070 -0.021 0.000 2.319 85 H HA -0.146 4.413 4.556 0.005 0.000 0.299 85 H C 2.257 177.589 175.328 0.007 0.000 1.092 85 H CA 1.628 57.677 56.048 0.002 0.000 1.302 85 H CB 0.039 29.803 29.762 0.004 0.000 1.373 85 H HN 0.375 nan 8.280 nan 0.000 0.497 86 A N 1.097 123.996 122.820 0.132 0.000 1.902 86 A HA -0.150 4.173 4.320 0.005 0.000 0.217 86 A C 2.498 180.129 177.584 0.079 0.000 1.181 86 A CA 1.388 53.476 52.037 0.085 0.000 0.623 86 A CB -0.757 18.285 19.000 0.070 0.000 0.818 86 A HN 0.319 nan 8.150 nan 0.000 0.443 87 L N -0.836 120.441 121.223 0.090 0.000 2.131 87 L HA -0.139 4.204 4.340 0.005 0.000 0.210 87 L C 2.225 179.235 176.870 0.232 0.000 1.092 87 L CA 1.761 56.692 54.840 0.152 0.000 0.759 87 L CB -0.502 41.630 42.059 0.122 0.000 0.903 87 L HN 0.298 nan 8.230 nan 0.000 0.435 88 M N -0.380 119.297 119.600 0.129 0.000 2.143 88 M HA -0.164 4.319 4.480 0.005 0.000 0.258 88 M C 1.700 177.914 176.300 -0.143 0.000 1.071 88 M CA 2.157 57.471 55.300 0.024 0.000 1.088 88 M CB -1.857 30.578 32.600 -0.275 0.000 1.360 88 M HN 0.616 nan 8.290 nan 0.000 0.404 89 T N -4.167 110.315 114.554 -0.118 0.000 3.182 89 T HA 0.182 4.535 4.350 0.005 0.000 0.277 89 T C 0.274 174.946 174.700 -0.047 0.000 1.013 89 T CA -0.308 61.709 62.100 -0.138 0.000 0.900 89 T CB -0.371 68.433 68.868 -0.107 0.000 1.098 89 T HN 0.075 nan 8.240 nan 0.000 0.543 90 T N 2.614 117.198 114.554 0.050 0.000 3.151 90 T HA 0.408 4.761 4.350 0.005 0.000 0.332 90 T C 0.118 174.894 174.700 0.127 0.000 1.245 90 T CA -0.244 61.905 62.100 0.082 0.000 1.019 90 T CB 0.582 69.520 68.868 0.116 0.000 1.109 90 T HN 0.349 nan 8.240 nan 0.000 0.621 91 S N 3.623 119.320 115.700 -0.005 0.000 2.531 91 S HA 0.167 4.640 4.470 0.005 0.000 0.279 91 S C 0.065 174.673 174.600 0.014 0.000 1.305 91 S CA -0.640 57.531 58.200 -0.048 0.000 1.058 91 S CB 0.296 63.402 63.200 -0.156 0.000 0.899 91 S HN 0.444 nan 8.310 nan 0.000 0.493 92 Q N 3.173 122.963 119.800 -0.016 0.000 2.241 92 Q HA 0.233 4.576 4.340 0.005 0.000 0.254 92 Q C 0.296 176.122 176.000 -0.290 0.000 0.917 92 Q CA -0.609 55.043 55.803 -0.252 0.000 0.919 92 Q CB 1.401 29.683 28.738 -0.761 0.000 1.237 92 Q HN 0.672 nan 8.270 nan 0.000 0.434 93 D N 1.623 121.947 120.400 -0.127 0.000 2.218 93 D HA -0.143 4.500 4.640 0.005 0.000 0.204 93 D C 1.573 177.897 176.300 0.040 0.000 0.976 93 D CA 0.928 54.913 54.000 -0.025 0.000 0.853 93 D CB 0.129 40.966 40.800 0.061 0.000 0.939 93 D HN 0.700 nan 8.370 nan 0.000 0.481 94 W N -1.561 119.835 121.300 0.160 0.000 2.800 94 W HA 0.050 4.713 4.660 0.005 0.000 0.249 94 W C 0.364 177.092 176.519 0.349 0.000 1.294 94 W CA -0.219 57.243 57.345 0.195 0.000 1.402 94 W CB -0.464 29.097 29.460 0.168 0.000 1.126 94 W HN -0.039 nan 8.180 nan 0.000 0.652 95 W N 3.354 124.505 121.300 -0.248 0.000 1.896 95 W HA 0.240 4.903 4.660 0.005 0.000 0.302 95 W C -2.902 173.577 176.519 -0.067 0.000 1.016 95 W CA -1.886 55.390 57.345 -0.114 0.000 1.200 95 W CB 0.650 30.050 29.460 -0.100 0.000 1.226 95 W HN -0.366 nan 8.180 nan 0.000 0.308 96 P HA 0.045 nan 4.420 nan 0.000 0.266 96 P C -0.033 177.214 177.300 -0.089 0.000 1.195 96 P CA 0.590 63.618 63.100 -0.121 0.000 0.768 96 P CB 0.793 32.430 31.700 -0.105 0.000 0.838 97 A N 3.211 125.863 122.820 -0.279 0.000 2.454 97 A HA 0.133 4.456 4.320 0.005 0.000 0.260 97 A C 0.111 177.513 177.584 -0.303 0.000 1.106 97 A CA -0.289 51.422 52.037 -0.543 0.000 0.780 97 A CB -0.419 17.890 19.000 -1.152 0.000 1.044 97 A HN 0.443 nan 8.150 nan 0.000 0.498 98 D N 1.853 122.126 120.400 -0.211 0.000 2.493 98 D HA 0.171 4.814 4.640 0.005 0.000 0.240 98 D C 0.454 176.511 176.300 -0.406 0.000 1.142 98 D CA 0.739 54.409 54.000 -0.550 0.000 0.872 98 D CB -0.200 40.499 40.800 -0.169 0.000 1.173 98 D HN 0.509 nan 8.370 nan 0.000 0.467 99 F N 0.445 120.060 119.950 -0.559 0.000 3.021 99 F HA -0.271 4.259 4.527 0.005 0.000 0.294 99 F C 1.604 177.285 175.800 -0.198 0.000 0.761 99 F CA 0.614 58.433 58.000 -0.302 0.000 1.102 99 F CB -1.961 36.954 39.000 -0.142 0.000 1.380 99 F HN 0.642 nan 8.300 nan 0.000 0.387 100 G N -1.031 107.674 108.800 -0.157 0.000 2.162 100 G HA2 -0.316 3.647 3.960 0.005 0.000 0.260 100 G HA3 -0.316 3.647 3.960 0.005 0.000 0.260 100 G C -0.128 174.725 174.900 -0.078 0.000 0.976 100 G CA 0.351 45.382 45.100 -0.115 0.000 0.655 100 G HN 0.963 nan 8.290 nan 0.000 0.533 101 H N -1.477 117.512 119.070 -0.134 0.000 2.934 101 H HA 0.422 4.981 4.556 0.005 0.000 0.340 101 H C -0.061 175.254 175.328 -0.021 0.000 1.008 101 H CA -0.828 55.191 56.048 -0.048 0.000 1.317 101 H CB 0.815 30.614 29.762 0.062 0.000 1.670 101 H HN 0.028 nan 8.280 nan 0.000 0.516 102 Y N 2.894 123.310 120.300 0.195 0.000 2.553 102 Y HA 0.050 4.603 4.550 0.005 0.000 0.303 102 Y C 2.217 178.229 175.900 0.188 0.000 1.194 102 Y CA 0.820 58.956 58.100 0.060 0.000 1.305 102 Y CB -0.016 38.326 38.460 -0.196 0.000 1.045 102 Y HN 0.813 nan 8.280 nan 0.000 0.514 103 G N 0.155 109.358 108.800 0.672 0.000 2.476 103 G HA2 -0.292 3.671 3.960 0.005 0.000 0.218 103 G HA3 -0.292 3.671 3.960 0.005 0.000 0.218 103 G C 2.077 177.112 174.900 0.226 0.000 1.164 103 G CA 1.022 46.380 45.100 0.430 0.000 0.768 103 G HN 0.506 nan 8.290 nan 0.000 0.560 104 G N 0.731 109.663 108.800 0.220 0.000 2.421 104 G HA2 -0.154 3.809 3.960 0.005 0.000 0.216 104 G HA3 -0.154 3.809 3.960 0.005 0.000 0.216 104 G C 1.773 176.816 174.900 0.239 0.000 1.171 104 G CA 1.078 46.322 45.100 0.241 0.000 0.775 104 G HN 0.436 nan 8.290 nan 0.000 0.543 105 L N -0.427 120.917 121.223 0.202 0.000 2.042 105 L HA 0.046 4.389 4.340 0.005 0.000 0.210 105 L C 2.467 179.387 176.870 0.084 0.000 1.076 105 L CA 1.687 56.586 54.840 0.099 0.000 0.749 105 L CB -0.542 41.518 42.059 0.002 0.000 0.893 105 L HN 0.167 nan 8.230 nan 0.000 0.432 106 F N -0.602 119.459 119.950 0.185 0.000 2.259 106 F HA -0.061 4.469 4.527 0.005 0.000 0.298 106 F C 2.318 178.213 175.800 0.159 0.000 1.088 106 F CA 0.983 59.067 58.000 0.140 0.000 1.358 106 F CB -0.642 38.430 39.000 0.119 0.000 1.040 106 F HN 0.042 nan 8.300 nan 0.000 0.505 107 I N -0.379 120.378 120.570 0.312 0.000 2.202 107 I HA -0.286 3.887 4.170 0.005 0.000 0.242 107 I C 2.706 179.073 176.117 0.417 0.000 1.091 107 I CA 1.192 62.653 61.300 0.268 0.000 1.368 107 I CB -0.415 37.599 38.000 0.024 0.000 1.058 107 I HN 0.021 nan 8.210 nan 0.000 0.410 108 R N 1.121 121.818 120.500 0.329 0.000 2.091 108 R HA -0.240 4.104 4.340 0.005 0.000 0.238 108 R C 2.429 178.807 176.300 0.130 0.000 1.136 108 R CA 1.797 58.068 56.100 0.284 0.000 0.959 108 R CB -0.292 30.093 30.300 0.141 0.000 0.856 108 R HN 0.298 nan 8.270 nan 0.000 0.437 109 M N 0.086 119.775 119.600 0.148 0.000 2.080 109 M HA -0.192 4.291 4.480 0.005 0.000 0.260 109 M C 2.131 178.527 176.300 0.161 0.000 1.068 109 M CA 2.301 57.672 55.300 0.119 0.000 1.109 109 M CB -0.206 32.527 32.600 0.223 0.000 1.342 109 M HN 0.342 nan 8.290 nan 0.000 0.405 110 A N 0.426 123.417 122.820 0.286 0.000 1.898 110 A HA -0.223 4.100 4.320 0.005 0.000 0.216 110 A C 2.053 179.781 177.584 0.239 0.000 1.181 110 A CA 1.376 53.572 52.037 0.265 0.000 0.620 110 A CB -1.575 17.678 19.000 0.422 0.000 0.819 110 A HN 0.927 nan 8.150 nan 0.000 0.442 111 W N 0.508 121.981 121.300 0.289 0.000 2.318 111 W HA -0.264 4.399 4.660 0.004 0.000 0.313 111 W C 1.842 178.495 176.519 0.224 0.000 1.221 111 W CA 1.961 59.456 57.345 0.251 0.000 1.266 111 W CB -0.769 28.961 29.460 0.451 0.000 1.150 111 W HN 0.599 nan 8.180 nan 0.000 0.496 112 H N -0.230 118.521 119.070 -0.533 0.000 2.423 112 H HA -0.155 4.404 4.556 0.005 0.000 0.297 112 H C 2.698 177.752 175.328 -0.456 0.000 1.075 112 H CA 1.245 56.877 56.048 -0.693 0.000 1.342 112 H CB -0.084 29.429 29.762 -0.415 0.000 1.395 112 H HN 0.142 nan 8.280 nan 0.000 0.530 113 S N 0.459 116.071 115.700 -0.146 0.000 2.353 113 S HA -0.185 4.288 4.470 0.005 0.000 0.222 113 S C 2.387 176.866 174.600 -0.201 0.000 1.035 113 S CA 1.110 59.211 58.200 -0.165 0.000 1.025 113 S CB -0.214 62.928 63.200 -0.096 0.000 0.902 113 S HN 0.507 nan 8.310 nan 0.000 0.440 114 A N 0.250 122.955 122.820 -0.192 0.000 2.014 114 A HA 0.244 4.568 4.320 0.005 0.000 0.218 114 A C 2.140 179.625 177.584 -0.166 0.000 1.163 114 A CA 1.365 53.296 52.037 -0.177 0.000 0.652 114 A CB -1.104 17.791 19.000 -0.174 0.000 0.808 114 A HN 0.617 nan 8.150 nan 0.000 0.449 115 G N -0.543 108.011 108.800 -0.410 0.000 2.848 115 G HA2 0.033 3.996 3.960 0.005 0.000 0.208 115 G HA3 0.033 3.996 3.960 0.005 0.000 0.208 115 G C 1.310 175.885 174.900 -0.541 0.000 1.152 115 G CA 1.378 46.080 45.100 -0.665 0.000 0.789 115 G HN 0.620 nan 8.290 nan 0.000 0.531 116 T N -2.905 111.477 114.554 -0.288 0.000 3.100 116 T HA 0.100 4.453 4.350 0.005 0.000 0.253 116 T C 0.889 175.681 174.700 0.154 0.000 1.118 116 T CA -0.542 61.504 62.100 -0.089 0.000 1.058 116 T CB -0.259 68.537 68.868 -0.120 0.000 0.953 116 T HN 0.164 nan 8.240 nan 0.000 0.515 117 Y N 3.475 123.775 120.300 0.000 0.000 2.712 117 Y HA 0.343 4.896 4.550 0.004 0.000 0.333 117 Y C 0.030 175.974 175.900 0.073 0.000 1.225 117 Y CA -0.777 57.342 58.100 0.032 0.000 1.499 117 Y CB 0.331 38.785 38.460 -0.009 0.000 1.288 117 Y HN 0.069 nan 8.280 nan 0.000 0.575 118 R N 3.344 123.489 120.500 -0.592 0.000 2.480 118 R HA 0.309 4.652 4.340 0.005 0.000 0.306 118 R C 0.776 176.567 176.300 -0.848 0.000 0.958 118 R CA -0.484 55.309 56.100 -0.511 0.000 0.861 118 R CB 1.331 31.491 30.300 -0.232 0.000 1.171 118 R HN 0.661 nan 8.270 nan 0.000 0.445 119 T N 1.153 115.369 114.554 -0.564 0.000 2.995 119 T HA -0.120 4.233 4.350 0.005 0.000 0.269 119 T C 1.857 176.432 174.700 -0.208 0.000 1.091 119 T CA 1.525 63.413 62.100 -0.352 0.000 1.128 119 T CB -0.011 68.818 68.868 -0.066 0.000 0.891 119 T HN 0.700 nan 8.240 nan 0.000 0.492 120 A N 2.607 125.316 122.820 -0.185 0.000 1.883 120 A HA -0.169 4.154 4.320 0.005 0.000 0.217 120 A C 1.951 179.447 177.584 -0.147 0.000 1.186 120 A CA 2.122 54.078 52.037 -0.135 0.000 0.624 120 A CB -0.354 18.576 19.000 -0.115 0.000 0.822 120 A HN 0.643 nan 8.150 nan 0.000 0.444 121 D N -4.453 115.837 120.400 -0.183 0.000 2.500 121 D HA 0.308 4.951 4.640 0.005 0.000 0.218 121 D C 1.121 177.325 176.300 -0.161 0.000 1.140 121 D CA 0.979 54.883 54.000 -0.160 0.000 0.830 121 D CB -0.470 40.237 40.800 -0.155 0.000 1.055 121 D HN 0.915 nan 8.370 nan 0.000 0.512 122 G N 0.768 109.432 108.800 -0.227 0.000 2.184 122 G HA2 -0.345 3.618 3.960 0.005 0.000 0.264 122 G HA3 -0.345 3.618 3.960 0.005 0.000 0.264 122 G C 0.386 175.249 174.900 -0.062 0.000 0.975 122 G CA 0.189 45.209 45.100 -0.133 0.000 0.642 122 G HN 0.447 nan 8.290 nan 0.000 0.536 123 R N 0.308 120.718 120.500 -0.150 0.000 2.649 123 R HA 0.516 4.859 4.340 0.005 0.000 0.270 123 R C 1.237 177.522 176.300 -0.024 0.000 1.105 123 R CA 0.540 56.576 56.100 -0.106 0.000 1.193 123 R CB 0.284 30.456 30.300 -0.213 0.000 1.120 123 R HN 1.459 nan 8.270 nan 0.000 0.561 124 G N -0.472 108.362 108.800 0.058 0.000 2.750 124 G HA2 0.134 4.097 3.960 0.005 0.000 0.228 124 G HA3 0.134 4.097 3.960 0.005 0.000 0.228 124 G C 0.122 175.141 174.900 0.198 0.000 1.367 124 G CA -0.340 44.889 45.100 0.215 0.000 0.871 124 G HN 1.168 nan 8.290 nan 0.000 0.560 125 G N -2.711 106.175 108.800 0.144 0.000 2.710 125 G HA2 0.431 4.394 3.960 0.005 0.000 0.668 125 G HA3 0.431 4.394 3.960 0.005 0.000 0.668 125 G C 0.950 175.809 174.900 -0.070 0.000 1.320 125 G CA 1.117 46.237 45.100 0.034 0.000 0.860 125 G HN 2.491 nan 8.290 nan 0.000 0.538 126 A N -0.484 122.248 122.820 -0.146 0.000 2.218 126 A HA 0.518 4.841 4.320 0.005 0.000 0.209 126 A C 2.493 179.988 177.584 -0.148 0.000 1.168 126 A CA 1.751 53.692 52.037 -0.160 0.000 0.804 126 A CB -0.355 18.523 19.000 -0.203 0.000 0.834 126 A HN 2.273 nan 8.150 nan 0.000 0.482 127 G N -0.367 108.349 108.800 -0.140 0.000 2.598 127 G HA2 -0.018 3.945 3.960 0.005 0.000 0.215 127 G HA3 -0.018 3.945 3.960 0.005 0.000 0.215 127 G C 0.956 175.799 174.900 -0.096 0.000 1.131 127 G CA 0.691 45.707 45.100 -0.139 0.000 0.785 127 G HN 0.640 nan 8.290 nan 0.000 0.539 128 E N -0.720 119.439 120.200 -0.068 0.000 2.583 128 E HA 0.278 4.631 4.350 0.005 0.000 0.213 128 E C 1.402 177.955 176.600 -0.078 0.000 0.989 128 E CA 0.037 56.403 56.400 -0.056 0.000 0.991 128 E CB 0.663 30.371 29.700 0.013 0.000 1.040 128 E HN 0.252 nan 8.360 nan 0.000 0.481 129 G N 2.322 111.063 108.800 -0.098 0.000 2.225 129 G HA2 -0.329 3.634 3.960 0.005 0.000 0.267 129 G HA3 -0.329 3.634 3.960 0.005 0.000 0.267 129 G C 0.899 175.691 174.900 -0.180 0.000 1.024 129 G CA 0.283 45.303 45.100 -0.133 0.000 0.784 129 G HN 0.205 nan 8.290 nan 0.000 0.507 130 Q N -0.751 118.993 119.800 -0.094 0.000 2.488 130 Q HA -0.020 4.323 4.340 0.005 0.000 0.211 130 Q C 2.306 178.195 176.000 -0.184 0.000 0.967 130 Q CA 1.205 56.993 55.803 -0.024 0.000 0.926 130 Q CB 0.026 28.788 28.738 0.040 0.000 0.992 130 Q HN 0.896 nan 8.270 nan 0.000 0.506 131 Q N 1.164 120.804 119.800 -0.268 0.000 2.364 131 Q HA -0.144 4.199 4.340 0.005 0.000 0.209 131 Q C 1.670 177.441 176.000 -0.381 0.000 0.977 131 Q CA 0.823 56.436 55.803 -0.318 0.000 0.885 131 Q CB 0.155 28.737 28.738 -0.261 0.000 0.941 131 Q HN 0.335 nan 8.270 nan 0.000 0.464 132 R N -1.218 118.950 120.500 -0.554 0.000 2.310 132 R HA 0.113 4.456 4.340 0.005 0.000 0.202 132 R C -0.382 175.456 176.300 -0.770 0.000 0.933 132 R CA -0.077 55.569 56.100 -0.757 0.000 1.054 132 R CB 0.182 29.825 30.300 -1.096 0.000 0.985 132 R HN 0.007 nan 8.270 nan 0.000 0.489 133 F N 0.605 120.413 119.950 -0.237 0.000 2.594 133 F HA 0.603 5.133 4.527 0.005 0.000 0.335 133 F C 0.551 176.252 175.800 -0.164 0.000 1.058 133 F CA -1.592 56.304 58.000 -0.174 0.000 0.981 133 F CB 1.150 40.075 39.000 -0.126 0.000 1.289 133 F HN -0.087 nan 8.300 nan 0.000 0.490 134 A N 1.780 124.672 122.820 0.120 0.000 2.445 134 A HA 0.304 4.627 4.320 0.005 0.000 0.242 134 A C -1.786 175.832 177.584 0.057 0.000 1.075 134 A CA -0.930 51.135 52.037 0.046 0.000 0.777 134 A CB -0.280 18.758 19.000 0.064 0.000 1.013 134 A HN 0.566 nan 8.150 nan 0.000 0.493 135 P HA 0.062 nan 4.420 nan 0.000 0.252 135 P C 1.207 178.340 177.300 -0.278 0.000 1.218 135 P CA 0.332 63.449 63.100 0.029 0.000 0.807 135 P CB 0.146 32.015 31.700 0.281 0.000 1.072 136 L N 1.141 122.008 121.223 -0.593 0.000 2.083 136 L HA -0.185 4.158 4.340 0.005 0.000 0.209 136 L C 2.285 178.867 176.870 -0.481 0.000 1.083 136 L CA 1.914 56.160 54.840 -0.991 0.000 0.752 136 L CB -1.262 40.268 42.059 -0.881 0.000 0.899 136 L HN 0.130 nan 8.230 nan 0.000 0.433 137 N N -1.206 117.320 118.700 -0.290 0.000 2.513 137 N HA -0.165 4.578 4.740 0.005 0.000 0.187 137 N C 1.148 176.627 175.510 -0.051 0.000 1.056 137 N CA 1.379 54.324 53.050 -0.177 0.000 0.907 137 N CB -0.338 38.026 38.487 -0.204 0.000 0.954 137 N HN 0.104 nan 8.380 nan 0.000 0.445 138 S N -1.828 113.833 115.700 -0.066 0.000 2.819 138 S HA 0.175 4.648 4.470 0.005 0.000 0.249 138 S C -0.718 173.897 174.600 0.025 0.000 1.030 138 S CA -0.798 57.366 58.200 -0.059 0.000 1.052 138 S CB 0.087 63.166 63.200 -0.203 0.000 1.017 138 S HN 0.244 nan 8.310 nan 0.000 0.576 139 W N 3.255 124.417 121.300 -0.231 0.000 2.181 139 W HA 0.260 4.923 4.660 0.004 0.000 0.335 139 W C -1.989 174.384 176.519 -0.244 0.000 1.310 139 W CA -2.031 55.055 57.345 -0.431 0.000 1.226 139 W CB -0.218 29.049 29.460 -0.321 0.000 1.155 139 W HN 0.090 nan 8.180 nan 0.000 0.565 140 P HA -0.218 nan 4.420 nan 0.000 0.216 140 P C 1.188 178.405 177.300 -0.139 0.000 1.150 140 P CA 1.826 64.852 63.100 -0.123 0.000 0.843 140 P CB 0.326 31.940 31.700 -0.142 0.000 0.787 141 D N -1.519 118.851 120.400 -0.051 0.000 2.350 141 D HA -0.078 4.565 4.640 0.005 0.000 0.216 141 D C 0.883 177.242 176.300 0.098 0.000 0.968 141 D CA 0.734 54.748 54.000 0.023 0.000 0.894 141 D CB -0.576 40.210 40.800 -0.024 0.000 0.909 141 D HN 0.039 nan 8.370 nan 0.000 0.520 142 N N -0.028 118.680 118.700 0.012 0.000 2.251 142 N HA 0.161 4.904 4.740 0.005 0.000 0.217 142 N C -0.320 174.938 175.510 -0.419 0.000 1.124 142 N CA -0.084 52.946 53.050 -0.032 0.000 0.843 142 N CB 0.381 38.882 38.487 0.023 0.000 1.024 142 N HN -0.001 nan 8.380 nan 0.000 0.501 143 A N 1.028 123.334 122.820 -0.857 0.000 2.546 143 A HA 0.110 4.433 4.320 0.005 0.000 0.243 143 A C 0.941 177.967 177.584 -0.930 0.000 1.063 143 A CA 0.083 51.016 52.037 -1.841 0.000 0.757 143 A CB -0.024 18.004 19.000 -1.620 0.000 0.991 143 A HN 0.450 nan 8.150 nan 0.000 0.503 144 N N -0.048 118.187 118.700 -0.775 0.000 2.936 144 N HA -0.183 4.560 4.740 0.005 0.000 0.236 144 N C 0.712 176.022 175.510 -0.334 0.000 0.930 144 N CA 1.588 54.365 53.050 -0.455 0.000 0.966 144 N CB -1.328 36.885 38.487 -0.456 0.000 1.090 144 N HN 0.669 nan 8.380 nan 0.000 0.592 145 L N 1.202 122.288 121.223 -0.228 0.000 2.376 145 L HA -0.092 4.251 4.340 0.005 0.000 0.219 145 L C 2.115 178.938 176.870 -0.079 0.000 1.133 145 L CA 1.285 56.049 54.840 -0.126 0.000 0.816 145 L CB -0.376 41.627 42.059 -0.094 0.000 0.933 145 L HN 0.233 nan 8.230 nan 0.000 0.449 146 D N 0.389 120.773 120.400 -0.028 0.000 2.149 146 D HA -0.226 4.417 4.640 0.005 0.000 0.198 146 D C 1.649 177.903 176.300 -0.077 0.000 0.990 146 D CA 1.153 55.127 54.000 -0.045 0.000 0.839 146 D CB -0.170 40.638 40.800 0.014 0.000 0.948 146 D HN 0.213 nan 8.370 nan 0.000 0.460 147 K N 1.202 121.499 120.400 -0.173 0.000 2.025 147 K HA 0.053 4.376 4.320 0.005 0.000 0.207 147 K C 2.424 179.017 176.600 -0.013 0.000 1.049 147 K CA 1.193 57.400 56.287 -0.134 0.000 0.933 147 K CB -0.814 31.245 32.500 -0.735 0.000 0.714 147 K HN 0.272 nan 8.250 nan 0.000 0.438 148 A N 2.182 124.946 122.820 -0.093 0.000 1.883 148 A HA -0.191 4.132 4.320 0.005 0.000 0.217 148 A C 2.292 180.038 177.584 0.270 0.000 1.186 148 A CA 1.544 53.602 52.037 0.034 0.000 0.624 148 A CB -0.466 18.556 19.000 0.037 0.000 0.822 148 A HN 0.274 nan 8.150 nan 0.000 0.444 149 R N -1.317 119.279 120.500 0.160 0.000 2.096 149 R HA -0.129 4.214 4.340 0.005 0.000 0.235 149 R C 2.409 178.890 176.300 0.303 0.000 1.127 149 R CA 1.490 57.703 56.100 0.187 0.000 0.968 149 R CB -0.280 29.954 30.300 -0.111 0.000 0.861 149 R HN 0.425 nan 8.270 nan 0.000 0.440 150 R N 1.466 122.101 120.500 0.226 0.000 2.096 150 R HA -0.042 4.301 4.340 0.005 0.000 0.235 150 R C 1.975 178.568 176.300 0.488 0.000 1.127 150 R CA 1.241 57.520 56.100 0.300 0.000 0.968 150 R CB -0.636 29.743 30.300 0.131 0.000 0.861 150 R HN 0.197 nan 8.270 nan 0.000 0.440 151 L N -0.086 121.424 121.223 0.479 0.000 2.265 151 L HA -0.127 4.216 4.340 0.005 0.000 0.215 151 L C 1.810 178.888 176.870 0.347 0.000 1.117 151 L CA 0.935 56.009 54.840 0.390 0.000 0.782 151 L CB -0.232 41.923 42.059 0.162 0.000 0.914 151 L HN 0.214 nan 8.230 nan 0.000 0.441 152 L N -1.835 119.618 121.223 0.383 0.000 2.509 152 L HA -0.107 4.236 4.340 0.005 0.000 0.222 152 L C 2.187 179.213 176.870 0.259 0.000 1.123 152 L CA 0.133 55.129 54.840 0.259 0.000 0.856 152 L CB -0.357 41.862 42.059 0.267 0.000 0.985 152 L HN 0.489 nan 8.230 nan 0.000 0.456 153 W N 3.015 124.465 121.300 0.250 0.000 2.338 153 W HA -0.174 4.488 4.660 0.005 0.000 0.304 153 W C -0.979 175.580 176.519 0.067 0.000 1.212 153 W CA 1.200 58.661 57.345 0.194 0.000 1.264 153 W CB -1.077 28.537 29.460 0.257 0.000 1.142 153 W HN 0.104 nan 8.180 nan 0.000 0.512 154 P HA -0.202 nan 4.420 nan 0.000 0.215 154 P C 1.706 178.804 177.300 -0.337 0.000 1.153 154 P CA 2.159 65.021 63.100 -0.397 0.000 0.853 154 P CB -0.301 31.322 31.700 -0.128 0.000 0.788 155 I N -0.879 119.591 120.570 -0.167 0.000 2.252 155 I HA -0.242 3.931 4.170 0.005 0.000 0.245 155 I C 2.373 178.416 176.117 -0.123 0.000 1.102 155 I CA 1.319 62.575 61.300 -0.072 0.000 1.385 155 I CB -0.332 37.669 38.000 0.002 0.000 1.064 155 I HN -0.142 nan 8.210 nan 0.000 0.414 156 K N 1.148 121.383 120.400 -0.275 0.000 2.063 156 K HA -0.273 4.050 4.320 0.005 0.000 0.208 156 K C 2.128 178.529 176.600 -0.332 0.000 1.048 156 K CA 1.737 57.810 56.287 -0.357 0.000 0.928 156 K CB -0.334 31.797 32.500 -0.614 0.000 0.713 156 K HN 0.325 nan 8.250 nan 0.000 0.442 157 Q N 0.294 119.674 119.800 -0.699 0.000 2.079 157 Q HA -0.205 4.138 4.340 0.005 0.000 0.200 157 Q C 2.041 177.789 176.000 -0.420 0.000 0.974 157 Q CA 1.820 57.151 55.803 -0.786 0.000 0.840 157 Q CB -0.160 27.713 28.738 -1.442 0.000 0.898 157 Q HN 0.344 nan 8.270 nan 0.000 0.430 158 K N -0.715 119.432 120.400 -0.420 0.000 2.057 158 K HA -0.182 4.141 4.320 0.005 0.000 0.207 158 K C 1.252 177.551 176.600 -0.501 0.000 1.049 158 K CA 1.523 57.534 56.287 -0.460 0.000 0.931 158 K CB -0.074 32.087 32.500 -0.564 0.000 0.714 158 K HN 0.323 nan 8.250 nan 0.000 0.440 159 Y N -0.119 120.101 120.300 -0.132 0.000 2.497 159 Y HA 0.178 4.731 4.550 0.005 0.000 0.265 159 Y C 1.509 177.393 175.900 -0.027 0.000 1.111 159 Y CA 0.230 58.288 58.100 -0.071 0.000 1.288 159 Y CB 0.465 38.886 38.460 -0.065 0.000 1.082 159 Y HN 0.362 nan 8.280 nan 0.000 0.536 160 G N 1.809 110.640 108.800 0.052 0.000 2.596 160 G HA2 -0.424 3.539 3.960 0.005 0.000 0.295 160 G HA3 -0.424 3.539 3.960 0.005 0.000 0.295 160 G C 1.209 176.204 174.900 0.157 0.000 1.240 160 G CA 0.717 45.864 45.100 0.078 0.000 0.985 160 G HN 0.474 nan 8.290 nan 0.000 0.555 161 R N 0.945 121.556 120.500 0.185 0.000 2.316 161 R HA 0.407 4.750 4.340 0.005 0.000 0.202 161 R C 2.445 179.031 176.300 0.477 0.000 1.029 161 R CA 1.726 57.997 56.100 0.285 0.000 1.018 161 R CB -0.317 30.084 30.300 0.169 0.000 0.888 161 R HN 1.025 nan 8.270 nan 0.000 0.471 162 A N 1.370 124.401 122.820 0.352 0.000 2.119 162 A HA 0.152 4.475 4.320 0.005 0.000 0.216 162 A C 1.100 178.931 177.584 0.412 0.000 1.152 162 A CA 0.357 52.592 52.037 0.330 0.000 0.708 162 A CB 0.044 19.151 19.000 0.178 0.000 0.805 162 A HN 0.414 nan 8.150 nan 0.000 0.460 163 I N 0.849 121.659 120.570 0.401 0.000 2.478 163 I HA 0.276 4.449 4.170 0.005 0.000 0.287 163 I C 0.106 176.390 176.117 0.279 0.000 1.042 163 I CA -0.704 60.855 61.300 0.433 0.000 1.067 163 I CB 1.955 40.084 38.000 0.215 0.000 1.233 163 I HN 0.221 nan 8.210 nan 0.000 0.431 164 S N 4.495 120.339 115.700 0.239 0.000 2.593 164 S HA 0.140 4.613 4.470 0.005 0.000 0.269 164 S C 0.689 175.291 174.600 0.002 0.000 1.334 164 S CA -0.296 57.870 58.200 -0.057 0.000 1.015 164 S CB 0.741 63.688 63.200 -0.420 0.000 0.912 164 S HN 0.803 nan 8.310 nan 0.000 0.541 165 W N 1.117 122.377 121.300 -0.066 0.000 2.338 165 W HA -0.083 4.580 4.660 0.005 0.000 0.304 165 W C 2.763 179.224 176.519 -0.097 0.000 1.212 165 W CA 1.257 58.559 57.345 -0.073 0.000 1.264 165 W CB -0.570 28.802 29.460 -0.146 0.000 1.142 165 W HN 0.930 nan 8.180 nan 0.000 0.512 166 A N 0.027 122.896 122.820 0.083 0.000 1.877 166 A HA -0.230 4.093 4.320 0.005 0.000 0.216 166 A C 1.669 179.263 177.584 0.017 0.000 1.186 166 A CA 2.166 54.199 52.037 -0.006 0.000 0.620 166 A CB -0.862 18.079 19.000 -0.098 0.000 0.822 166 A HN 0.153 nan 8.150 nan 0.000 0.443 167 D N -0.623 119.803 120.400 0.043 0.000 2.144 167 D HA -0.095 4.548 4.640 0.005 0.000 0.200 167 D C 1.828 178.243 176.300 0.192 0.000 0.978 167 D CA 1.011 55.106 54.000 0.159 0.000 0.833 167 D CB -0.338 40.607 40.800 0.242 0.000 0.961 167 D HN 0.315 nan 8.370 nan 0.000 0.470 168 L N 0.700 121.991 121.223 0.114 0.000 2.083 168 L HA -0.099 4.244 4.340 0.005 0.000 0.209 168 L C 2.118 179.015 176.870 0.044 0.000 1.083 168 L CA 1.317 56.178 54.840 0.034 0.000 0.752 168 L CB -0.473 41.556 42.059 -0.050 0.000 0.899 168 L HN 0.021 nan 8.230 nan 0.000 0.433 169 L N -1.290 120.001 121.223 0.113 0.000 2.046 169 L HA -0.221 4.122 4.340 0.005 0.000 0.208 169 L C 2.433 179.356 176.870 0.088 0.000 1.077 169 L CA 0.790 55.693 54.840 0.105 0.000 0.747 169 L CB -0.655 41.465 42.059 0.100 0.000 0.896 169 L HN 0.258 nan 8.230 nan 0.000 0.432 170 I N -0.392 120.236 120.570 0.098 0.000 2.233 170 I HA -0.229 3.944 4.170 0.005 0.000 0.243 170 I C 2.492 178.697 176.117 0.146 0.000 1.093 170 I CA 1.195 62.583 61.300 0.147 0.000 1.380 170 I CB -1.020 37.061 38.000 0.135 0.000 1.067 170 I HN 0.220 nan 8.210 nan 0.000 0.413 171 L N 0.913 122.121 121.223 -0.024 0.000 2.042 171 L HA -0.214 4.129 4.340 0.005 0.000 0.210 171 L C 2.459 179.197 176.870 -0.219 0.000 1.076 171 L CA 2.082 56.673 54.840 -0.414 0.000 0.749 171 L CB -1.034 40.683 42.059 -0.570 0.000 0.893 171 L HN 0.188 nan 8.230 nan 0.000 0.432 172 T N -0.564 113.893 114.554 -0.160 0.000 2.720 172 T HA -0.132 4.221 4.350 0.005 0.000 0.268 172 T C 1.730 176.379 174.700 -0.084 0.000 1.037 172 T CA 1.278 63.244 62.100 -0.224 0.000 1.144 172 T CB -0.998 67.653 68.868 -0.361 0.000 0.864 172 T HN 0.610 nan 8.240 nan 0.000 0.444 173 G N 1.865 110.728 108.800 0.105 0.000 2.446 173 G HA2 -0.301 3.662 3.960 0.005 0.000 0.217 173 G HA3 -0.301 3.662 3.960 0.005 0.000 0.217 173 G C 1.639 176.620 174.900 0.135 0.000 1.168 173 G CA 1.061 46.319 45.100 0.264 0.000 0.771 173 G HN 0.405 nan 8.290 nan 0.000 0.551 174 N N 0.195 119.012 118.700 0.195 0.000 2.069 174 N HA -0.105 4.638 4.740 0.005 0.000 0.191 174 N C 2.267 177.743 175.510 -0.056 0.000 1.031 174 N CA 1.207 54.322 53.050 0.108 0.000 0.852 174 N CB -0.591 37.982 38.487 0.143 0.000 1.018 174 N HN 0.191 nan 8.380 nan 0.000 0.423 175 V N 0.987 120.821 119.914 -0.133 0.000 2.407 175 V HA -0.192 3.931 4.120 0.005 0.000 0.248 175 V C 2.267 178.225 176.094 -0.225 0.000 1.055 175 V CA 1.713 63.859 62.300 -0.257 0.000 1.049 175 V CB -1.028 30.570 31.823 -0.374 0.000 0.662 175 V HN 0.339 nan 8.190 nan 0.000 0.455 176 A N -0.051 122.700 122.820 -0.115 0.000 1.883 176 A HA -0.208 4.115 4.320 0.005 0.000 0.217 176 A C 2.225 179.720 177.584 -0.149 0.000 1.186 176 A CA 2.025 54.049 52.037 -0.021 0.000 0.624 176 A CB -0.613 18.437 19.000 0.083 0.000 0.822 176 A HN 0.491 nan 8.150 nan 0.000 0.444 177 L N -0.746 120.319 121.223 -0.265 0.000 2.012 177 L HA -0.258 4.085 4.340 0.005 0.000 0.210 177 L C 2.666 179.502 176.870 -0.057 0.000 1.073 177 L CA 1.989 56.644 54.840 -0.308 0.000 0.748 177 L CB -0.601 41.240 42.059 -0.364 0.000 0.891 177 L HN 0.491 nan 8.230 nan 0.000 0.431 178 E N -0.915 119.273 120.200 -0.020 0.000 2.072 178 E HA -0.213 4.140 4.350 0.005 0.000 0.191 178 E C 2.323 179.020 176.600 0.163 0.000 0.985 178 E CA 1.306 57.747 56.400 0.069 0.000 0.801 178 E CB -0.135 29.619 29.700 0.089 0.000 0.750 178 E HN 0.296 nan 8.360 nan 0.000 0.452 179 S N 0.430 116.223 115.700 0.155 0.000 2.383 179 S HA -0.136 4.337 4.470 0.005 0.000 0.229 179 S C 1.742 176.481 174.600 0.231 0.000 1.030 179 S CA 1.120 59.487 58.200 0.279 0.000 1.002 179 S CB -0.047 63.313 63.200 0.268 0.000 0.829 179 S HN 0.181 nan 8.310 nan 0.000 0.467 180 M N 0.203 119.880 119.600 0.128 0.000 2.505 180 M HA 0.259 4.743 4.480 0.005 0.000 0.230 180 M C 1.237 177.710 176.300 0.288 0.000 1.153 180 M CA 0.545 55.931 55.300 0.144 0.000 0.997 180 M CB 0.518 33.154 32.600 0.059 0.000 1.606 180 M HN 0.521 nan 8.290 nan 0.000 0.481 181 G N 1.224 110.163 108.800 0.232 0.000 2.148 181 G HA2 -0.258 3.705 3.960 0.005 0.000 0.203 181 G HA3 -0.258 3.705 3.960 0.005 0.000 0.203 181 G C -0.368 174.646 174.900 0.190 0.000 0.993 181 G CA -0.647 44.590 45.100 0.229 0.000 0.661 181 G HN 0.454 nan 8.290 nan 0.000 0.518 182 F N 2.309 122.236 119.950 -0.038 0.000 2.388 182 F HA 0.622 5.152 4.527 0.005 0.000 0.358 182 F C 0.509 176.156 175.800 -0.254 0.000 1.122 182 F CA -1.250 56.566 58.000 -0.306 0.000 1.056 182 F CB 1.037 39.803 39.000 -0.391 0.000 1.155 182 F HN 0.005 nan 8.300 nan 0.000 0.461 183 K N 6.050 125.959 120.400 -0.819 0.000 2.349 183 K HA 0.190 4.513 4.320 0.005 0.000 0.289 183 K C -0.196 176.044 176.600 -0.600 0.000 1.064 183 K CA -0.177 55.788 56.287 -0.536 0.000 0.947 183 K CB 0.464 32.714 32.500 -0.417 0.000 1.007 183 K HN 0.813 nan 8.250 nan 0.000 0.478 184 T N 1.164 115.592 114.554 -0.210 0.000 2.816 184 T HA 0.147 4.500 4.350 0.005 0.000 0.282 184 T C 0.816 175.542 174.700 0.042 0.000 0.993 184 T CA -0.649 61.450 62.100 -0.000 0.000 0.994 184 T CB 0.538 69.499 68.868 0.156 0.000 1.025 184 T HN 0.525 nan 8.240 nan 0.000 0.529 185 F N 0.812 120.752 119.950 -0.016 0.000 2.615 185 F HA 0.422 4.952 4.527 0.005 0.000 0.297 185 F C 1.240 176.922 175.800 -0.197 0.000 1.124 185 F CA 0.942 58.871 58.000 -0.119 0.000 1.451 185 F CB -0.356 38.581 39.000 -0.105 0.000 1.103 185 F HN 1.205 nan 8.300 nan 0.000 0.569 186 G N -0.644 108.176 108.800 0.032 0.000 2.362 186 G HA2 0.284 4.247 3.960 0.005 0.000 0.288 186 G HA3 0.284 4.247 3.960 0.005 0.000 0.288 186 G C -2.078 173.038 174.900 0.361 0.000 1.305 186 G CA -0.503 44.592 45.100 -0.008 0.000 0.910 186 G HN 0.228 nan 8.290 nan 0.000 0.518 187 F N 0.118 120.181 119.950 0.187 0.000 2.654 187 F HA 0.753 5.283 4.527 0.006 0.000 0.314 187 F C -0.617 175.360 175.800 0.294 0.000 1.116 187 F CA 0.055 58.264 58.000 0.347 0.000 1.017 187 F CB 1.441 40.597 39.000 0.260 0.000 1.285 187 F HN 1.453 nan 8.300 nan 0.000 0.448 188 A N 3.442 125.979 122.820 -0.473 0.000 2.342 188 A HA 0.835 5.158 4.320 0.005 0.000 0.323 188 A C -0.186 176.680 177.584 -1.196 0.000 1.125 188 A CA -0.177 51.501 52.037 -0.599 0.000 0.785 188 A CB 1.032 19.711 19.000 -0.534 0.000 1.221 188 A HN 1.306 nan 8.150 nan 0.000 0.463 189 G N -0.599 107.726 108.800 -0.792 0.000 2.535 189 G HA2 0.566 4.529 3.960 0.005 0.000 0.303 189 G HA3 0.566 4.529 3.960 0.005 0.000 0.303 189 G C 0.799 175.255 174.900 -0.739 0.000 1.237 189 G CA -0.159 44.336 45.100 -1.008 0.000 0.986 189 G HN 2.154 nan 8.290 nan 0.000 0.494 190 G N -1.542 106.918 108.800 -0.567 0.000 2.273 190 G HA2 -0.174 3.789 3.960 0.005 0.000 0.162 190 G HA3 -0.174 3.789 3.960 0.005 0.000 0.162 190 G C 0.391 175.298 174.900 0.012 0.000 1.006 190 G CA -0.397 44.592 45.100 -0.186 0.000 0.704 190 G HN 0.703 nan 8.290 nan 0.000 0.487 191 R N 1.307 121.771 120.500 -0.061 0.000 2.325 191 R HA 0.582 4.925 4.340 0.005 0.000 0.323 191 R C 0.874 177.056 176.300 -0.195 0.000 1.177 191 R CA 0.481 56.512 56.100 -0.115 0.000 1.018 191 R CB 0.830 31.030 30.300 -0.166 0.000 1.070 191 R HN 0.457 nan 8.270 nan 0.000 0.495 192 A N 3.119 125.854 122.820 -0.141 0.000 2.462 192 A HA 0.035 4.358 4.320 0.005 0.000 0.243 192 A C -0.037 177.381 177.584 -0.277 0.000 1.076 192 A CA -0.385 51.477 52.037 -0.291 0.000 0.773 192 A CB 0.256 19.256 19.000 -0.000 0.000 1.010 192 A HN 0.548 nan 8.150 nan 0.000 0.493 193 D N 0.855 121.045 120.400 -0.350 0.000 2.382 193 D HA 0.380 5.023 4.640 0.005 0.000 0.240 193 D C 0.898 176.880 176.300 -0.529 0.000 1.146 193 D CA 0.971 54.723 54.000 -0.413 0.000 0.897 193 D CB 0.950 41.439 40.800 -0.519 0.000 1.197 193 D HN 0.705 nan 8.370 nan 0.000 0.432 194 T N -2.004 112.179 114.554 -0.619 0.000 2.927 194 T HA 0.532 4.885 4.350 0.005 0.000 0.286 194 T C 0.153 174.344 174.700 -0.848 0.000 1.040 194 T CA -0.798 60.937 62.100 -0.610 0.000 1.010 194 T CB 1.166 69.906 68.868 -0.212 0.000 1.177 194 T HN 0.541 nan 8.240 nan 0.000 0.546 195 W N 0.164 121.416 121.300 -0.081 0.000 2.534 195 W HA 0.338 5.001 4.660 0.005 0.000 0.339 195 W C 0.530 176.726 176.519 -0.538 0.000 0.961 195 W CA -0.635 56.630 57.345 -0.133 0.000 1.545 195 W CB 0.671 30.100 29.460 -0.053 0.000 1.104 195 W HN 0.986 nan 8.180 nan 0.000 0.538 196 E N -0.492 119.344 120.200 -0.608 0.000 2.437 196 E HA 0.391 4.744 4.350 0.005 0.000 0.280 196 E C -2.913 173.330 176.600 -0.595 0.000 1.044 196 E CA -2.461 53.523 56.400 -0.693 0.000 0.826 196 E CB 1.708 31.277 29.700 -0.219 0.000 1.358 196 E HN -0.376 nan 8.360 nan 0.000 0.459 197 P HA -0.001 nan 4.420 nan 0.000 0.268 197 P C -0.644 176.644 177.300 -0.020 0.000 1.204 197 P CA 0.138 63.171 63.100 -0.111 0.000 0.768 197 P CB 0.500 32.191 31.700 -0.014 0.000 0.842 198 E N 2.399 122.626 120.200 0.044 0.000 2.398 198 E HA 0.003 4.356 4.350 0.005 0.000 0.263 198 E C -0.520 176.088 176.600 0.013 0.000 1.046 198 E CA -0.293 56.125 56.400 0.031 0.000 0.908 198 E CB 0.337 30.071 29.700 0.056 0.000 0.963 198 E HN 0.378 nan 8.360 nan 0.000 0.431 199 D N 3.810 124.183 120.400 -0.046 0.000 2.365 199 D HA 0.186 4.829 4.640 0.005 0.000 0.237 199 D C -0.881 175.333 176.300 -0.143 0.000 1.190 199 D CA -0.047 53.916 54.000 -0.061 0.000 0.867 199 D CB 1.180 41.940 40.800 -0.066 0.000 1.050 199 D HN 0.065 nan 8.370 nan 0.000 0.491 200 V N 3.070 122.846 119.914 -0.230 0.000 2.638 200 V HA 0.096 4.220 4.120 0.005 0.000 0.306 200 V C -0.540 175.211 176.094 -0.571 0.000 1.052 200 V CA -1.113 60.852 62.300 -0.559 0.000 0.885 200 V CB 1.924 33.060 31.823 -1.145 0.000 0.999 200 V HN 0.381 nan 8.190 nan 0.000 0.424 201 Y N 3.149 123.142 120.300 -0.512 0.000 2.584 201 Y HA 0.219 4.772 4.550 0.005 0.000 0.351 201 Y C 0.264 175.946 175.900 -0.363 0.000 1.030 201 Y CA -0.633 57.270 58.100 -0.330 0.000 1.332 201 Y CB 0.533 38.868 38.460 -0.208 0.000 1.148 201 Y HN 0.775 nan 8.280 nan 0.000 0.528 202 W N 4.353 125.424 121.300 -0.381 0.000 3.278 202 W HA 0.469 5.132 4.660 0.005 0.000 0.308 202 W C 0.805 176.983 176.519 -0.569 0.000 1.253 202 W CA 0.466 57.631 57.345 -0.300 0.000 1.759 202 W CB 0.384 29.872 29.460 0.048 0.000 1.093 202 W HN 0.963 nan 8.180 nan 0.000 0.648 203 G N -0.600 107.577 108.800 -1.038 0.000 2.340 203 G HA2 -0.036 3.927 3.960 0.005 0.000 0.527 203 G HA3 -0.036 3.927 3.960 0.005 0.000 0.527 203 G C -0.015 174.652 174.900 -0.389 0.000 1.381 203 G CA -0.359 44.324 45.100 -0.696 0.000 1.001 203 G HN -0.206 nan 8.290 nan 0.000 0.626 204 S N -0.278 115.377 115.700 -0.075 0.000 2.539 204 S HA 0.241 4.714 4.470 0.005 0.000 0.221 204 S C 0.590 175.166 174.600 -0.040 0.000 0.987 204 S CA 0.212 58.437 58.200 0.041 0.000 0.929 204 S CB 0.356 63.640 63.200 0.140 0.000 0.832 204 S HN 0.619 nan 8.310 nan 0.000 0.492 205 E N 1.942 122.087 120.200 -0.092 0.000 2.415 205 E HA 0.129 4.482 4.350 0.005 0.000 0.262 205 E C 0.595 177.086 176.600 -0.181 0.000 1.038 205 E CA 0.158 56.489 56.400 -0.114 0.000 0.921 205 E CB 0.411 30.039 29.700 -0.121 0.000 0.950 205 E HN -0.126 nan 8.360 nan 0.000 0.438 206 K N 1.565 121.869 120.400 -0.161 0.000 2.373 206 K HA 0.314 4.637 4.320 0.005 0.000 0.202 206 K C -0.196 176.261 176.600 -0.238 0.000 1.025 206 K CA 0.074 56.242 56.287 -0.198 0.000 1.115 206 K CB 0.280 32.709 32.500 -0.120 0.000 0.858 206 K HN 0.435 nan 8.250 nan 0.000 0.525 207 I N 0.309 120.741 120.570 -0.230 0.000 2.466 207 I HA 0.255 4.428 4.170 0.005 0.000 0.289 207 I C -0.543 175.466 176.117 -0.179 0.000 1.026 207 I CA -1.077 60.121 61.300 -0.171 0.000 1.078 207 I CB 1.374 39.339 38.000 -0.058 0.000 1.249 207 I HN -0.043 nan 8.210 nan 0.000 0.429 208 W N 6.956 128.231 121.300 -0.040 0.000 2.343 208 W HA 0.099 4.761 4.660 0.005 0.000 0.337 208 W C 1.018 177.497 176.519 -0.068 0.000 1.320 208 W CA -0.007 57.296 57.345 -0.070 0.000 1.290 208 W CB 0.171 29.608 29.460 -0.039 0.000 1.206 208 W HN 0.481 nan 8.180 nan 0.000 0.565 209 L N 0.819 122.147 121.223 0.175 0.000 4.429 209 L HA -0.295 4.048 4.340 0.005 0.000 0.422 209 L C 0.780 177.681 176.870 0.050 0.000 1.149 209 L CA 0.306 55.195 54.840 0.081 0.000 0.972 209 L CB -1.754 40.356 42.059 0.086 0.000 2.059 209 L HN 0.568 nan 8.230 nan 0.000 0.870 210 E N 1.296 121.512 120.200 0.026 0.000 2.452 210 E HA 0.217 4.570 4.350 0.005 0.000 0.261 210 E C 0.360 176.982 176.600 0.036 0.000 0.987 210 E CA -0.218 56.195 56.400 0.021 0.000 0.926 210 E CB 0.573 30.269 29.700 -0.007 0.000 0.934 210 E HN 0.246 nan 8.360 nan 0.000 0.452 211 L N 2.854 124.101 121.223 0.040 0.000 2.472 211 L HA 0.085 4.428 4.340 0.005 0.000 0.260 211 L C 0.945 177.849 176.870 0.057 0.000 1.209 211 L CA -0.471 54.397 54.840 0.047 0.000 0.817 211 L CB 0.662 42.742 42.059 0.036 0.000 1.106 211 L HN 0.628 nan 8.230 nan 0.000 0.479 212 S N -0.212 115.528 115.700 0.066 0.000 2.589 212 S HA 0.396 4.869 4.470 0.005 0.000 0.265 212 S C 0.966 175.607 174.600 0.068 0.000 1.342 212 S CA -0.070 58.192 58.200 0.104 0.000 1.005 212 S CB 1.193 64.441 63.200 0.080 0.000 0.909 212 S HN 1.103 nan 8.310 nan 0.000 0.555 213 G N 0.186 109.038 108.800 0.086 0.000 2.175 213 G HA2 -0.070 3.893 3.960 0.005 0.000 0.244 213 G HA3 -0.070 3.893 3.960 0.005 0.000 0.244 213 G C 0.528 175.455 174.900 0.044 0.000 0.982 213 G CA 0.100 45.236 45.100 0.059 0.000 0.641 213 G HN 1.343 nan 8.290 nan 0.000 0.527 214 G N 0.191 109.017 108.800 0.043 0.000 2.588 214 G HA2 0.598 4.561 3.960 0.005 0.000 0.278 214 G HA3 0.598 4.561 3.960 0.005 0.000 0.278 214 G C -0.160 174.755 174.900 0.025 0.000 1.307 214 G CA -0.003 45.114 45.100 0.027 0.000 1.016 214 G HN 0.129 nan 8.290 nan 0.000 0.503 215 P HA -0.042 nan 4.420 nan 0.000 0.222 215 P C 0.407 177.717 177.300 0.017 0.000 1.147 215 P CA 0.849 63.958 63.100 0.014 0.000 0.790 215 P CB 0.337 32.040 31.700 0.005 0.000 0.780 216 N N -0.409 118.300 118.700 0.015 0.000 2.467 216 N HA 0.049 4.792 4.740 0.005 0.000 0.278 216 N C -0.164 175.363 175.510 0.028 0.000 1.306 216 N CA -0.024 53.038 53.050 0.019 0.000 0.905 216 N CB 0.404 38.894 38.487 0.004 0.000 1.236 216 N HN -0.020 nan 8.380 nan 0.000 0.509 217 S N 1.144 116.869 115.700 0.042 0.000 2.546 217 S HA -0.006 4.467 4.470 0.005 0.000 0.290 217 S C 1.549 176.179 174.600 0.050 0.000 1.290 217 S CA -0.292 57.948 58.200 0.066 0.000 1.069 217 S CB 0.627 63.881 63.200 0.091 0.000 0.846 217 S HN 0.464 nan 8.310 nan 0.000 0.495 218 R N 3.463 123.978 120.500 0.025 0.000 2.313 218 R HA 0.108 4.452 4.340 0.005 0.000 0.199 218 R C -0.539 175.620 176.300 -0.235 0.000 0.958 218 R CA 0.346 56.388 56.100 -0.097 0.000 1.047 218 R CB -0.147 30.053 30.300 -0.167 0.000 0.955 218 R HN 0.587 nan 8.270 nan 0.000 0.481 219 Y N 0.835 121.157 120.300 0.037 0.000 2.446 219 Y HA 0.396 4.949 4.550 0.005 0.000 0.338 219 Y C 0.278 176.199 175.900 0.034 0.000 1.055 219 Y CA -0.449 57.673 58.100 0.037 0.000 1.101 219 Y CB 2.176 40.658 38.460 0.036 0.000 1.221 219 Y HN 0.137 nan 8.280 nan 0.000 0.460 220 S N 0.289 116.111 115.700 0.202 0.000 2.651 220 S HA 0.856 5.329 4.470 0.005 0.000 0.279 220 S C 0.051 174.726 174.600 0.124 0.000 1.148 220 S CA -0.433 57.845 58.200 0.129 0.000 0.837 220 S CB 1.419 64.668 63.200 0.081 0.000 1.138 220 S HN 1.470 nan 8.310 nan 0.000 0.478 221 G N 1.458 110.309 108.800 0.084 0.000 2.582 221 G HA2 -0.259 3.704 3.960 0.005 0.000 0.288 221 G HA3 -0.259 3.704 3.960 0.005 0.000 0.288 221 G C -0.284 174.658 174.900 0.071 0.000 1.247 221 G CA 0.635 45.777 45.100 0.069 0.000 0.972 221 G HN 1.222 nan 8.290 nan 0.000 0.557 222 D N 0.921 121.361 120.400 0.066 0.000 2.608 222 D HA 0.397 5.040 4.640 0.005 0.000 0.224 222 D C 1.165 177.511 176.300 0.078 0.000 1.123 222 D CA 0.265 54.298 54.000 0.055 0.000 1.030 222 D CB -0.678 40.149 40.800 0.045 0.000 1.093 222 D HN 0.816 nan 8.370 nan 0.000 0.497 223 R N 1.231 121.784 120.500 0.088 0.000 3.333 223 R HA -0.188 4.155 4.340 0.005 0.000 0.256 223 R C -0.843 175.650 176.300 0.321 0.000 1.010 223 R CA 0.464 56.638 56.100 0.123 0.000 0.680 223 R CB -1.212 29.077 30.300 -0.018 0.000 1.102 223 R HN 0.338 nan 8.270 nan 0.000 0.440 224 Q N 0.950 120.933 119.800 0.305 0.000 2.322 224 Q HA 0.201 4.544 4.340 0.005 0.000 0.256 224 Q C -0.227 175.852 176.000 0.132 0.000 0.960 224 Q CA -0.706 55.222 55.803 0.210 0.000 0.934 224 Q CB 1.386 30.194 28.738 0.115 0.000 1.200 224 Q HN 0.277 nan 8.270 nan 0.000 0.435 225 L N 3.527 124.746 121.223 -0.007 0.000 2.367 225 L HA 0.098 4.441 4.340 0.005 0.000 0.275 225 L C 0.421 177.190 176.870 -0.168 0.000 1.129 225 L CA 0.058 54.688 54.840 -0.350 0.000 0.839 225 L CB 0.556 42.451 42.059 -0.274 0.000 1.133 225 L HN 0.536 nan 8.230 nan 0.000 0.453 226 E N 3.320 123.411 120.200 -0.181 0.000 2.376 226 E HA 0.062 4.415 4.350 0.005 0.000 0.266 226 E C -0.647 175.928 176.600 -0.042 0.000 1.009 226 E CA -0.198 56.161 56.400 -0.069 0.000 0.902 226 E CB 0.081 29.764 29.700 -0.027 0.000 0.972 226 E HN 0.690 nan 8.360 nan 0.000 0.439 227 N N 3.907 122.586 118.700 -0.036 0.000 2.479 227 N HA 0.056 4.799 4.740 0.005 0.000 0.257 227 N C -1.774 173.723 175.510 -0.023 0.000 1.232 227 N CA -1.069 51.958 53.050 -0.040 0.000 0.920 227 N CB 0.666 39.113 38.487 -0.066 0.000 1.105 227 N HN 0.558 nan 8.380 nan 0.000 0.444 228 P HA 0.147 nan 4.420 nan 0.000 0.254 228 P C -0.681 176.610 177.300 -0.016 0.000 1.620 228 P CA 0.093 63.172 63.100 -0.034 0.000 1.050 228 P CB 0.281 31.941 31.700 -0.066 0.000 1.539 229 L N 0.186 121.414 121.223 0.008 0.000 2.453 229 L HA 0.503 4.846 4.340 0.005 0.000 0.261 229 L C 1.142 178.023 176.870 0.017 0.000 1.179 229 L CA -0.410 54.436 54.840 0.010 0.000 0.813 229 L CB 0.748 42.791 42.059 -0.026 0.000 1.110 229 L HN -0.038 nan 8.230 nan 0.000 0.466 230 A N 1.451 124.312 122.820 0.068 0.000 2.592 230 A HA 0.693 5.016 4.320 0.005 0.000 0.290 230 A C -0.024 177.664 177.584 0.173 0.000 0.998 230 A CA 0.172 52.276 52.037 0.112 0.000 0.983 230 A CB 0.401 19.473 19.000 0.119 0.000 1.240 230 A HN 0.680 nan 8.150 nan 0.000 0.535 231 A N -0.602 122.285 122.820 0.112 0.000 2.498 231 A HA 0.630 4.953 4.320 0.005 0.000 0.298 231 A C 0.800 178.439 177.584 0.092 0.000 1.075 231 A CA 0.210 52.312 52.037 0.107 0.000 0.714 231 A CB 0.872 19.871 19.000 -0.001 0.000 1.299 231 A HN 1.173 nan 8.150 nan 0.000 0.407 232 V N -1.837 118.172 119.914 0.158 0.000 3.235 232 V HA 0.233 4.356 4.120 0.005 0.000 0.259 232 V C 0.359 176.577 176.094 0.208 0.000 1.133 232 V CA 1.216 63.677 62.300 0.269 0.000 1.128 232 V CB -0.988 31.012 31.823 0.294 0.000 0.757 232 V HN 0.714 nan 8.190 nan 0.000 0.469 233 Q N -0.028 119.812 119.800 0.066 0.000 2.377 233 Q HA 0.541 4.884 4.340 0.005 0.000 0.279 233 Q C -1.092 174.841 176.000 -0.111 0.000 1.049 233 Q CA -0.949 54.862 55.803 0.013 0.000 0.825 233 Q CB 2.434 31.189 28.738 0.029 0.000 1.401 233 Q HN 0.337 nan 8.270 nan 0.000 0.404 234 M N 1.369 120.893 119.600 -0.127 0.000 2.356 234 M HA 0.303 4.786 4.480 0.005 0.000 0.348 234 M C 0.758 176.900 176.300 -0.262 0.000 1.595 234 M CA 1.850 57.010 55.300 -0.233 0.000 1.095 234 M CB -0.549 31.920 32.600 -0.218 0.000 1.963 234 M HN 0.848 nan 8.290 nan 0.000 0.459 235 G N 3.831 112.145 108.800 -0.810 0.000 2.179 235 G HA2 -0.153 3.810 3.960 0.005 0.000 0.220 235 G HA3 -0.153 3.810 3.960 0.005 0.000 0.220 235 G C -0.265 174.159 174.900 -0.793 0.000 0.990 235 G CA 0.030 44.467 45.100 -1.105 0.000 0.646 235 G HN 0.700 nan 8.290 nan 0.000 0.517 236 L N 0.992 121.854 121.223 -0.602 0.000 2.352 236 L HA 0.513 4.856 4.340 0.005 0.000 0.269 236 L C 1.781 178.462 176.870 -0.316 0.000 1.034 236 L CA -1.445 53.214 54.840 -0.303 0.000 0.806 236 L CB 0.941 42.932 42.059 -0.113 0.000 1.244 236 L HN -0.142 nan 8.230 nan 0.000 0.447 237 I N 0.159 120.566 120.570 -0.272 0.000 2.206 237 I HA -0.157 4.016 4.170 0.005 0.000 0.239 237 I C 1.231 177.031 176.117 -0.529 0.000 1.078 237 I CA 2.051 63.058 61.300 -0.489 0.000 1.367 237 I CB -0.468 36.989 38.000 -0.906 0.000 1.078 237 I HN 0.646 nan 8.210 nan 0.000 0.413 238 Y N -0.404 119.941 120.300 0.075 0.000 3.224 238 Y HA 0.253 4.806 4.550 0.005 0.000 0.184 238 Y C 0.754 176.759 175.900 0.175 0.000 0.891 238 Y CA -0.323 57.863 58.100 0.143 0.000 1.736 238 Y CB -0.016 38.583 38.460 0.232 0.000 1.411 238 Y HN -0.134 nan 8.280 nan 0.000 0.402 239 V N -1.016 119.152 119.914 0.423 0.000 3.181 239 V HA 0.528 4.651 4.120 0.005 0.000 0.314 239 V C -0.791 175.447 176.094 0.241 0.000 1.173 239 V CA -1.115 61.368 62.300 0.306 0.000 1.052 239 V CB 1.718 33.728 31.823 0.311 0.000 1.123 239 V HN 0.321 nan 8.190 nan 0.000 0.454 240 N N 2.246 121.064 118.700 0.196 0.000 2.422 240 N HA 0.417 5.161 4.740 0.005 0.000 0.264 240 N C -1.622 174.002 175.510 0.190 0.000 1.063 240 N CA -2.042 51.108 53.050 0.167 0.000 0.959 240 N CB 1.676 40.242 38.487 0.132 0.000 1.087 240 N HN 0.603 nan 8.380 nan 0.000 0.483 241 P HA -0.050 nan 4.420 nan 0.000 0.226 241 P C 0.173 177.598 177.300 0.209 0.000 1.153 241 P CA 1.093 64.327 63.100 0.224 0.000 0.777 241 P CB 0.480 32.319 31.700 0.232 0.000 0.794 242 E N -0.367 119.946 120.200 0.187 0.000 2.478 242 E HA 0.284 4.637 4.350 0.005 0.000 0.194 242 E C 0.903 177.618 176.600 0.191 0.000 1.045 242 E CA 0.207 56.733 56.400 0.210 0.000 0.868 242 E CB 0.019 29.852 29.700 0.222 0.000 0.885 242 E HN 0.240 nan 8.360 nan 0.000 0.505 243 G N 1.589 110.487 108.800 0.164 0.000 2.423 243 G HA2 -0.122 3.841 3.960 0.005 0.000 0.684 243 G HA3 -0.122 3.841 3.960 0.005 0.000 0.684 243 G C -3.084 171.876 174.900 0.099 0.000 1.309 243 G CA -1.348 43.829 45.100 0.129 0.000 0.950 243 G HN -0.191 nan 8.290 nan 0.000 0.587 244 P HA 0.309 nan 4.420 nan 0.000 0.267 244 P C -0.122 177.190 177.300 0.020 0.000 1.209 244 P CA 0.622 63.742 63.100 0.033 0.000 0.763 244 P CB 0.398 32.095 31.700 -0.005 0.000 0.816 245 D N 3.311 123.724 120.400 0.022 0.000 2.792 245 D HA -0.209 4.434 4.640 0.005 0.000 0.231 245 D C 1.174 177.506 176.300 0.054 0.000 1.160 245 D CA 2.015 56.032 54.000 0.028 0.000 0.697 245 D CB -1.532 39.266 40.800 -0.003 0.000 1.070 245 D HN 0.807 nan 8.370 nan 0.000 0.426 246 G N -0.622 108.227 108.800 0.081 0.000 2.159 246 G HA2 -0.316 3.647 3.960 0.005 0.000 0.256 246 G HA3 -0.316 3.647 3.960 0.005 0.000 0.256 246 G C 0.051 175.025 174.900 0.124 0.000 0.977 246 G CA 0.139 45.313 45.100 0.124 0.000 0.652 246 G HN 0.417 nan 8.290 nan 0.000 0.531 247 N N 1.740 120.472 118.700 0.053 0.000 2.414 247 N HA 0.384 5.127 4.740 0.005 0.000 0.256 247 N C -2.589 172.909 175.510 -0.019 0.000 1.029 247 N CA -1.186 51.855 53.050 -0.014 0.000 0.948 247 N CB 1.954 40.436 38.487 -0.008 0.000 1.102 247 N HN 0.141 nan 8.380 nan 0.000 0.496 248 P HA 0.076 nan 4.420 nan 0.000 0.230 248 P C -0.835 176.558 177.300 0.155 0.000 1.791 248 P CA -0.045 63.069 63.100 0.025 0.000 1.020 248 P CB -0.142 31.450 31.700 -0.181 0.000 1.977 249 D N 2.677 123.139 120.400 0.103 0.000 2.461 249 D HA 0.239 4.882 4.640 0.005 0.000 0.240 249 D C -1.824 174.510 176.300 0.057 0.000 1.094 249 D CA -2.595 51.449 54.000 0.074 0.000 0.868 249 D CB 1.596 42.416 40.800 0.032 0.000 1.062 249 D HN -0.046 nan 8.370 nan 0.000 0.530 250 P HA -0.118 nan 4.420 nan 0.000 0.219 250 P C 1.462 178.792 177.300 0.049 0.000 1.146 250 P CA 0.498 63.598 63.100 0.000 0.000 0.808 250 P CB 0.532 32.170 31.700 -0.103 0.000 0.779 251 V N -0.082 119.852 119.914 0.033 0.000 2.407 251 V HA -0.147 3.976 4.120 0.005 0.000 0.245 251 V C 2.440 178.560 176.094 0.044 0.000 1.041 251 V CA 2.061 64.391 62.300 0.049 0.000 1.040 251 V CB -1.644 30.197 31.823 0.031 0.000 0.671 251 V HN 0.087 nan 8.190 nan 0.000 0.455 252 A N 0.098 122.939 122.820 0.035 0.000 1.930 252 A HA -0.005 4.318 4.320 0.005 0.000 0.217 252 A C 2.399 180.016 177.584 0.056 0.000 1.175 252 A CA 1.731 53.788 52.037 0.034 0.000 0.627 252 A CB -0.653 18.358 19.000 0.020 0.000 0.815 252 A HN 0.532 nan 8.150 nan 0.000 0.443 253 A N 0.063 122.926 122.820 0.072 0.000 1.933 253 A HA 0.140 4.463 4.320 0.005 0.000 0.218 253 A C 2.468 180.125 177.584 0.122 0.000 1.175 253 A CA 1.990 54.087 52.037 0.100 0.000 0.628 253 A CB -0.947 18.117 19.000 0.108 0.000 0.814 253 A HN 1.040 nan 8.150 nan 0.000 0.444 254 A N -0.344 122.551 122.820 0.125 0.000 1.940 254 A HA -0.193 4.130 4.320 0.005 0.000 0.219 254 A C 2.250 179.919 177.584 0.141 0.000 1.176 254 A CA 1.720 53.868 52.037 0.186 0.000 0.631 254 A CB -0.522 18.580 19.000 0.170 0.000 0.814 254 A HN 0.558 nan 8.150 nan 0.000 0.446 255 R N -0.421 120.128 120.500 0.081 0.000 2.081 255 R HA -0.180 4.164 4.340 0.005 0.000 0.235 255 R C 1.362 177.733 176.300 0.117 0.000 1.131 255 R CA 1.913 58.054 56.100 0.068 0.000 0.960 255 R CB -0.359 29.968 30.300 0.046 0.000 0.856 255 R HN 0.443 nan 8.270 nan 0.000 0.436 256 D N 0.399 120.880 120.400 0.135 0.000 2.117 256 D HA -0.128 4.515 4.640 0.005 0.000 0.197 256 D C 1.910 178.349 176.300 0.232 0.000 0.987 256 D CA 1.148 55.258 54.000 0.184 0.000 0.829 256 D CB -0.141 40.766 40.800 0.178 0.000 0.961 256 D HN 0.294 nan 8.370 nan 0.000 0.460 257 I N 0.467 121.173 120.570 0.225 0.000 2.127 257 I HA -0.280 3.893 4.170 0.005 0.000 0.241 257 I C 2.592 178.870 176.117 0.268 0.000 1.075 257 I CA 1.052 62.498 61.300 0.244 0.000 1.334 257 I CB -0.181 37.880 38.000 0.103 0.000 1.040 257 I HN -0.055 nan 8.210 nan 0.000 0.405 258 R N 0.865 121.511 120.500 0.243 0.000 2.083 258 R HA -0.260 4.083 4.340 0.005 0.000 0.237 258 R C 2.097 178.516 176.300 0.197 0.000 1.137 258 R CA 2.405 58.635 56.100 0.215 0.000 0.951 258 R CB -0.341 30.014 30.300 0.091 0.000 0.851 258 R HN 0.304 nan 8.270 nan 0.000 0.434 259 D N -0.597 119.910 120.400 0.178 0.000 2.092 259 D HA -0.151 4.492 4.640 0.005 0.000 0.193 259 D C 1.826 178.235 176.300 0.181 0.000 0.994 259 D CA 2.397 56.495 54.000 0.164 0.000 0.828 259 D CB -0.217 40.684 40.800 0.169 0.000 0.963 259 D HN 0.445 nan 8.370 nan 0.000 0.450 260 T N -2.247 112.444 114.554 0.229 0.000 2.812 260 T HA -0.104 4.249 4.350 0.005 0.000 0.264 260 T C 2.103 176.860 174.700 0.095 0.000 1.042 260 T CA 0.732 62.959 62.100 0.212 0.000 1.140 260 T CB -0.932 68.121 68.868 0.309 0.000 0.870 260 T HN 0.054 nan 8.240 nan 0.000 0.445 261 F N 2.541 122.446 119.950 -0.076 0.000 2.134 261 F HA 0.162 4.692 4.527 0.004 0.000 0.299 261 F C 2.965 178.754 175.800 -0.019 0.000 1.097 261 F CA 0.639 58.543 58.000 -0.160 0.000 1.264 261 F CB -1.020 37.882 39.000 -0.164 0.000 1.001 261 F HN 0.269 nan 8.300 nan 0.000 0.479 262 A N -0.031 122.902 122.820 0.190 0.000 1.940 262 A HA -0.201 4.122 4.320 0.005 0.000 0.219 262 A C 2.216 179.858 177.584 0.097 0.000 1.176 262 A CA 1.514 53.632 52.037 0.135 0.000 0.631 262 A CB -0.661 18.411 19.000 0.120 0.000 0.814 262 A HN 0.342 nan 8.150 nan 0.000 0.446 263 R N -1.027 119.524 120.500 0.085 0.000 2.316 263 R HA 0.140 4.483 4.340 0.005 0.000 0.202 263 R C 0.895 177.217 176.300 0.037 0.000 1.029 263 R CA 0.804 56.935 56.100 0.052 0.000 1.018 263 R CB -0.122 30.214 30.300 0.059 0.000 0.888 263 R HN 0.523 nan 8.270 nan 0.000 0.471 264 M N -0.706 118.936 119.600 0.069 0.000 2.484 264 M HA 0.283 4.766 4.480 0.005 0.000 0.307 264 M C 0.277 176.698 176.300 0.201 0.000 1.149 264 M CA -0.100 55.294 55.300 0.157 0.000 0.972 264 M CB 1.242 33.943 32.600 0.168 0.000 1.400 264 M HN 0.129 nan 8.290 nan 0.000 0.508 265 A N 0.465 123.373 122.820 0.146 0.000 3.031 265 A HA -0.141 4.182 4.320 0.005 0.000 0.244 265 A C 0.048 177.689 177.584 0.094 0.000 1.341 265 A CA 0.789 52.907 52.037 0.136 0.000 0.943 265 A CB -1.523 17.588 19.000 0.184 0.000 1.122 265 A HN 0.468 nan 8.150 nan 0.000 0.760 266 M N 0.839 120.510 119.600 0.118 0.000 2.336 266 M HA 0.411 4.894 4.480 0.005 0.000 0.342 266 M C 0.490 176.888 176.300 0.164 0.000 1.128 266 M CA -0.697 54.691 55.300 0.146 0.000 1.016 266 M CB 1.191 33.941 32.600 0.250 0.000 1.665 266 M HN 0.689 nan 8.290 nan 0.000 0.445 267 N N 1.115 119.898 118.700 0.139 0.000 2.418 267 N HA 0.204 4.947 4.740 0.005 0.000 0.283 267 N C 0.142 175.739 175.510 0.145 0.000 1.267 267 N CA -0.279 52.851 53.050 0.134 0.000 0.975 267 N CB 0.396 38.953 38.487 0.116 0.000 1.167 267 N HN 0.368 nan 8.380 nan 0.000 0.581 268 D N -0.596 119.895 120.400 0.151 0.000 2.104 268 D HA -0.196 4.447 4.640 0.005 0.000 0.194 268 D C 1.370 177.763 176.300 0.155 0.000 0.994 268 D CA 1.449 55.583 54.000 0.224 0.000 0.830 268 D CB -0.244 40.665 40.800 0.182 0.000 0.959 268 D HN 0.819 nan 8.370 nan 0.000 0.452 269 E N 0.465 120.742 120.200 0.129 0.000 2.077 269 E HA -0.196 4.157 4.350 0.005 0.000 0.193 269 E C 1.737 178.476 176.600 0.231 0.000 0.989 269 E CA 0.982 57.477 56.400 0.159 0.000 0.800 269 E CB 0.103 29.908 29.700 0.176 0.000 0.746 269 E HN 0.312 nan 8.360 nan 0.000 0.452 270 E N -0.461 119.846 120.200 0.178 0.000 2.072 270 E HA -0.130 4.223 4.350 0.005 0.000 0.191 270 E C 2.090 178.757 176.600 0.111 0.000 0.985 270 E CA 1.569 58.072 56.400 0.172 0.000 0.801 270 E CB 0.026 29.809 29.700 0.139 0.000 0.750 270 E HN 0.218 nan 8.360 nan 0.000 0.452 271 T N 0.650 115.209 114.554 0.008 0.000 2.708 271 T HA -0.126 4.227 4.350 0.005 0.000 0.266 271 T C 2.093 176.563 174.700 -0.383 0.000 1.037 271 T CA 1.102 63.020 62.100 -0.303 0.000 1.146 271 T CB -0.206 68.405 68.868 -0.428 0.000 0.865 271 T HN -0.029 nan 8.240 nan 0.000 0.435 272 V N 1.778 121.545 119.914 -0.244 0.000 2.343 272 V HA -0.186 3.937 4.120 0.005 0.000 0.247 272 V C 2.884 179.031 176.094 0.090 0.000 1.051 272 V CA 1.758 63.961 62.300 -0.162 0.000 1.036 272 V CB -1.233 30.561 31.823 -0.049 0.000 0.654 272 V HN 0.531 nan 8.190 nan 0.000 0.451 273 A N -0.398 122.621 122.820 0.332 0.000 1.902 273 A HA -0.164 4.159 4.320 0.005 0.000 0.217 273 A C 2.238 179.877 177.584 0.091 0.000 1.181 273 A CA 1.856 54.117 52.037 0.373 0.000 0.623 273 A CB -0.529 18.702 19.000 0.385 0.000 0.818 273 A HN 0.495 nan 8.150 nan 0.000 0.443 274 L N -0.767 120.487 121.223 0.052 0.000 2.027 274 L HA -0.156 4.187 4.340 0.005 0.000 0.206 274 L C 2.506 179.137 176.870 -0.398 0.000 1.074 274 L CA 1.289 56.122 54.840 -0.011 0.000 0.745 274 L CB -0.429 41.667 42.059 0.061 0.000 0.898 274 L HN 0.387 nan 8.230 nan 0.000 0.433 275 I N -0.403 119.853 120.570 -0.523 0.000 2.202 275 I HA -0.235 3.938 4.170 0.005 0.000 0.242 275 I C 2.751 178.232 176.117 -1.060 0.000 1.091 275 I CA 1.126 61.949 61.300 -0.794 0.000 1.368 275 I CB -0.443 37.126 38.000 -0.717 0.000 1.058 275 I HN 0.165 nan 8.210 nan 0.000 0.410 276 A N 0.843 123.073 122.820 -0.984 0.000 1.930 276 A HA -0.081 4.242 4.320 0.005 0.000 0.217 276 A C 2.401 179.357 177.584 -1.046 0.000 1.175 276 A CA 1.792 52.905 52.037 -1.540 0.000 0.627 276 A CB -1.310 16.926 19.000 -1.274 0.000 0.815 276 A HN 0.464 nan 8.150 nan 0.000 0.443 277 G N -0.578 107.702 108.800 -0.867 0.000 2.394 277 G HA2 0.088 4.051 3.960 0.005 0.000 0.214 277 G HA3 0.088 4.051 3.960 0.005 0.000 0.214 277 G C 1.522 175.821 174.900 -1.002 0.000 1.176 277 G CA 1.151 45.337 45.100 -1.523 0.000 0.786 277 G HN 0.656 nan 8.290 nan 0.000 0.533 278 G N -0.241 108.103 108.800 -0.759 0.000 2.418 278 G HA2 -0.156 3.807 3.960 0.005 0.000 0.217 278 G HA3 -0.156 3.807 3.960 0.005 0.000 0.217 278 G C 1.400 176.139 174.900 -0.268 0.000 1.158 278 G CA 0.718 45.648 45.100 -0.284 0.000 0.771 278 G HN 0.644 nan 8.290 nan 0.000 0.545 279 H N -0.256 118.298 119.070 -0.860 0.000 2.536 279 H HA 0.135 4.694 4.556 0.005 0.000 0.276 279 H C 1.958 176.796 175.328 -0.816 0.000 1.019 279 H CA 0.068 55.332 56.048 -1.307 0.000 1.159 279 H CB 0.447 29.028 29.762 -1.968 0.000 1.373 279 H HN 0.228 nan 8.280 nan 0.000 0.584 280 T N 0.395 114.612 114.554 -0.562 0.000 3.035 280 T HA -0.044 4.309 4.350 0.005 0.000 0.268 280 T C 0.060 174.421 174.700 -0.565 0.000 1.109 280 T CA 0.894 62.656 62.100 -0.564 0.000 1.119 280 T CB -0.025 68.338 68.868 -0.842 0.000 0.900 280 T HN 0.090 nan 8.240 nan 0.000 0.503 281 F N 0.034 119.964 119.950 -0.034 0.000 2.522 281 F HA 0.593 5.122 4.527 0.005 0.000 0.324 281 F C 1.220 177.136 175.800 0.194 0.000 1.077 281 F CA -0.554 57.472 58.000 0.044 0.000 0.944 281 F CB 1.296 40.310 39.000 0.023 0.000 1.175 281 F HN 0.210 nan 8.300 nan 0.000 0.468 282 G N 2.213 111.212 108.800 0.331 0.000 2.562 282 G HA2 -0.077 3.886 3.960 0.005 0.000 0.250 282 G HA3 -0.077 3.886 3.960 0.005 0.000 0.250 282 G C -1.045 174.097 174.900 0.404 0.000 1.269 282 G CA 0.016 45.338 45.100 0.370 0.000 0.919 282 G HN 1.069 nan 8.290 nan 0.000 0.574 283 K N -1.821 118.776 120.400 0.328 0.000 2.578 283 K HA 0.718 5.041 4.320 0.005 0.000 0.287 283 K C -0.106 176.339 176.600 -0.258 0.000 1.010 283 K CA -0.165 56.062 56.287 -0.100 0.000 0.889 283 K CB 1.239 33.679 32.500 -0.100 0.000 1.514 283 K HN 1.400 nan 8.250 nan 0.000 0.424 284 T N -1.399 112.844 114.554 -0.518 0.000 2.862 284 T HA 0.457 4.810 4.350 0.005 0.000 0.276 284 T C -0.679 173.612 174.700 -0.682 0.000 0.974 284 T CA -0.407 61.466 62.100 -0.378 0.000 0.966 284 T CB 0.566 69.293 68.868 -0.237 0.000 1.072 284 T HN 0.656 nan 8.240 nan 0.000 0.538 285 H N -1.214 117.846 119.070 -0.017 0.000 2.823 285 H HA 0.614 5.173 4.556 0.005 0.000 0.332 285 H C 0.319 175.629 175.328 -0.030 0.000 0.980 285 H CA -0.631 55.410 56.048 -0.011 0.000 1.286 285 H CB 1.628 31.421 29.762 0.052 0.000 1.541 285 H HN 1.052 nan 8.280 nan 0.000 0.521 286 G N 1.278 110.083 108.800 0.008 0.000 4.973 286 G HA2 0.391 4.354 3.960 0.005 0.000 0.211 286 G HA3 0.391 4.354 3.960 0.005 0.000 0.211 286 G C 0.767 175.616 174.900 -0.086 0.000 0.784 286 G CA 0.131 45.207 45.100 -0.040 0.000 0.657 286 G HN 0.719 nan 8.290 nan 0.000 0.480 287 A N -0.360 122.427 122.820 -0.056 0.000 2.066 287 A HA 0.626 4.949 4.320 0.005 0.000 0.218 287 A C 1.383 178.781 177.584 -0.309 0.000 1.157 287 A CA 1.369 53.372 52.037 -0.057 0.000 0.670 287 A CB 0.141 19.215 19.000 0.123 0.000 0.804 287 A HN 1.286 nan 8.150 nan 0.000 0.453 288 G N -2.087 106.365 108.800 -0.579 0.000 2.687 288 G HA2 0.514 4.477 3.960 0.005 0.000 0.291 288 G HA3 0.514 4.477 3.960 0.005 0.000 0.291 288 G C -3.491 171.118 174.900 -0.484 0.000 1.420 288 G CA -1.298 43.230 45.100 -0.954 0.000 0.796 288 G HN -0.111 nan 8.290 nan 0.000 0.485 289 P HA 0.227 nan 4.420 nan 0.000 0.264 289 P C 0.799 178.027 177.300 -0.120 0.000 1.183 289 P CA 0.524 63.515 63.100 -0.181 0.000 0.763 289 P CB 1.155 32.780 31.700 -0.124 0.000 0.807 290 A N 3.110 125.886 122.820 -0.073 0.000 2.125 290 A HA -0.148 4.175 4.320 0.005 0.000 0.219 290 A C 2.030 179.617 177.584 0.005 0.000 1.156 290 A CA 1.779 53.800 52.037 -0.027 0.000 0.671 290 A CB -1.347 17.643 19.000 -0.017 0.000 0.794 290 A HN 0.591 nan 8.150 nan 0.000 0.459 291 S N 0.337 116.034 115.700 -0.004 0.000 2.474 291 S HA -0.130 4.343 4.470 0.005 0.000 0.235 291 S C 1.462 176.083 174.600 0.036 0.000 0.997 291 S CA 1.000 59.210 58.200 0.017 0.000 0.949 291 S CB -0.633 62.572 63.200 0.008 0.000 0.766 291 S HN 0.627 nan 8.310 nan 0.000 0.517 292 N N 1.251 119.975 118.700 0.040 0.000 2.453 292 N HA 0.027 4.770 4.740 0.005 0.000 0.183 292 N C -0.070 175.498 175.510 0.097 0.000 1.041 292 N CA 0.509 53.608 53.050 0.081 0.000 0.900 292 N CB -0.097 38.464 38.487 0.124 0.000 0.961 292 N HN 0.320 nan 8.380 nan 0.000 0.443 293 V N 1.024 120.996 119.914 0.096 0.000 2.461 293 V HA 0.343 4.466 4.120 0.005 0.000 0.275 293 V C 1.122 177.290 176.094 0.123 0.000 1.047 293 V CA -0.603 61.778 62.300 0.136 0.000 0.955 293 V CB 1.124 33.042 31.823 0.159 0.000 0.988 293 V HN 0.097 nan 8.190 nan 0.000 0.471 294 G N 2.976 111.842 108.800 0.110 0.000 2.574 294 G HA2 0.590 4.553 3.960 0.005 0.000 0.248 294 G HA3 0.590 4.553 3.960 0.005 0.000 0.248 294 G C 0.171 175.065 174.900 -0.011 0.000 1.422 294 G CA -0.206 44.922 45.100 0.047 0.000 1.051 294 G HN 1.063 nan 8.290 nan 0.000 0.560 295 A N 0.118 122.884 122.820 -0.089 0.000 2.540 295 A HA 0.392 4.715 4.320 0.005 0.000 0.239 295 A C 0.973 178.285 177.584 -0.454 0.000 1.061 295 A CA -0.046 51.876 52.037 -0.191 0.000 0.758 295 A CB -0.079 18.828 19.000 -0.155 0.000 0.991 295 A HN 0.713 nan 8.150 nan 0.000 0.502 296 E N 3.005 122.824 120.200 -0.635 0.000 2.425 296 E HA 0.034 4.387 4.350 0.005 0.000 0.258 296 E C -2.142 173.954 176.600 -0.840 0.000 1.151 296 E CA -1.034 54.638 56.400 -1.214 0.000 0.958 296 E CB -0.340 28.871 29.700 -0.816 0.000 0.968 296 E HN 0.340 nan 8.360 nan 0.000 0.451 297 P HA -0.186 nan 4.420 nan 0.000 0.215 297 P C 0.993 178.095 177.300 -0.330 0.000 1.157 297 P CA 1.490 64.269 63.100 -0.535 0.000 0.874 297 P CB 0.159 31.574 31.700 -0.476 0.000 0.790 298 E N -1.120 118.915 120.200 -0.276 0.000 2.338 298 E HA -0.065 4.288 4.350 0.005 0.000 0.197 298 E C 1.676 178.202 176.600 -0.123 0.000 1.007 298 E CA 1.049 57.359 56.400 -0.150 0.000 0.849 298 E CB -0.417 29.238 29.700 -0.076 0.000 0.774 298 E HN 0.235 nan 8.360 nan 0.000 0.506 299 A N 0.443 123.166 122.820 -0.162 0.000 2.252 299 A HA 0.436 4.759 4.320 0.005 0.000 0.213 299 A C 1.240 178.748 177.584 -0.127 0.000 1.188 299 A CA 0.365 52.333 52.037 -0.116 0.000 0.863 299 A CB 0.260 19.201 19.000 -0.100 0.000 0.893 299 A HN 0.147 nan 8.150 nan 0.000 0.495 300 A N 0.128 122.845 122.820 -0.171 0.000 2.346 300 A HA 0.537 4.860 4.320 0.005 0.000 0.252 300 A C 0.993 178.511 177.584 -0.109 0.000 1.089 300 A CA 0.198 52.145 52.037 -0.150 0.000 0.797 300 A CB -0.386 18.499 19.000 -0.193 0.000 1.047 300 A HN 0.839 nan 8.150 nan 0.000 0.494 301 G N -0.758 107.990 108.800 -0.087 0.000 2.664 301 G HA2 0.348 4.311 3.960 0.005 0.000 0.242 301 G HA3 0.348 4.311 3.960 0.005 0.000 0.242 301 G C 0.897 175.752 174.900 -0.076 0.000 1.225 301 G CA -0.417 44.642 45.100 -0.069 0.000 0.849 301 G HN 0.677 nan 8.290 nan 0.000 0.581 302 I N 0.495 121.027 120.570 -0.063 0.000 2.335 302 I HA -0.161 4.012 4.170 0.005 0.000 0.251 302 I C 2.817 178.892 176.117 -0.070 0.000 1.129 302 I CA 1.607 62.868 61.300 -0.065 0.000 1.402 302 I CB -0.082 37.887 38.000 -0.052 0.000 1.069 302 I HN 0.743 nan 8.210 nan 0.000 0.424 303 E N 1.715 121.878 120.200 -0.061 0.000 2.338 303 E HA -0.169 4.184 4.350 0.005 0.000 0.197 303 E C 1.857 178.412 176.600 -0.076 0.000 1.007 303 E CA 1.199 57.563 56.400 -0.060 0.000 0.849 303 E CB -0.242 29.431 29.700 -0.045 0.000 0.774 303 E HN 0.438 nan 8.360 nan 0.000 0.506 304 A N 1.047 123.815 122.820 -0.087 0.000 2.121 304 A HA -0.118 4.205 4.320 0.005 0.000 0.218 304 A C 0.916 178.421 177.584 -0.132 0.000 1.154 304 A CA 0.590 52.563 52.037 -0.106 0.000 0.679 304 A CB -0.237 18.693 19.000 -0.117 0.000 0.795 304 A HN 0.197 nan 8.150 nan 0.000 0.458 305 Q N -2.271 117.454 119.800 -0.125 0.000 2.439 305 Q HA -0.261 4.082 4.340 0.005 0.000 0.325 305 Q C 0.950 176.847 176.000 -0.171 0.000 1.372 305 Q CA 1.244 56.962 55.803 -0.141 0.000 0.909 305 Q CB -2.324 26.328 28.738 -0.143 0.000 1.167 305 Q HN 1.729 nan 8.270 nan 0.000 0.418 306 G N -1.606 107.093 108.800 -0.169 0.000 2.195 306 G HA2 -0.299 3.664 3.960 0.005 0.000 0.246 306 G HA3 -0.299 3.664 3.960 0.005 0.000 0.246 306 G C 0.243 175.019 174.900 -0.207 0.000 0.984 306 G CA 0.344 45.330 45.100 -0.190 0.000 0.633 306 G HN 0.331 nan 8.290 nan 0.000 0.525 307 L N -0.103 121.002 121.223 -0.196 0.000 2.400 307 L HA 0.824 5.167 4.340 0.005 0.000 0.264 307 L C 1.058 177.796 176.870 -0.220 0.000 1.061 307 L CA -0.306 54.423 54.840 -0.186 0.000 0.799 307 L CB 1.548 43.511 42.059 -0.160 0.000 1.240 307 L HN 0.336 nan 8.230 nan 0.000 0.461 308 G N -2.474 106.197 108.800 -0.216 0.000 2.782 308 G HA2 0.366 4.329 3.960 0.005 0.000 0.304 308 G HA3 0.366 4.329 3.960 0.005 0.000 0.304 308 G C -1.422 173.439 174.900 -0.066 0.000 1.315 308 G CA -0.490 44.407 45.100 -0.340 0.000 0.791 308 G HN 0.694 nan 8.290 nan 0.000 0.519 309 W N 0.085 121.336 121.300 -0.082 0.000 5.121 309 W HA -0.167 4.496 4.660 0.005 0.000 0.372 309 W C 0.747 177.261 176.519 -0.009 0.000 1.394 309 W CA 0.852 58.164 57.345 -0.054 0.000 0.885 309 W CB -1.154 28.260 29.460 -0.077 0.000 2.520 309 W HN 0.608 nan 8.180 nan 0.000 1.455 310 K N 1.655 122.134 120.400 0.132 0.000 2.472 310 K HA 0.182 4.505 4.320 0.005 0.000 0.280 310 K C 0.599 177.287 176.600 0.148 0.000 1.028 310 K CA 0.553 56.918 56.287 0.129 0.000 1.045 310 K CB 0.645 33.184 32.500 0.065 0.000 0.902 310 K HN -0.015 nan 8.250 nan 0.000 0.478 311 S N 2.941 118.747 115.700 0.176 0.000 2.475 311 S HA 0.480 4.953 4.470 0.005 0.000 0.298 311 S C 0.397 175.080 174.600 0.138 0.000 1.119 311 S CA -0.426 57.876 58.200 0.170 0.000 1.085 311 S CB 1.610 64.936 63.200 0.210 0.000 1.028 311 S HN 0.673 nan 8.310 nan 0.000 0.489 312 A N 3.989 126.886 122.820 0.129 0.000 2.251 312 A HA 0.218 4.541 4.320 0.005 0.000 0.209 312 A C 0.156 177.813 177.584 0.122 0.000 1.187 312 A CA 0.017 52.114 52.037 0.100 0.000 0.823 312 A CB -0.369 18.682 19.000 0.084 0.000 0.846 312 A HN 0.844 nan 8.150 nan 0.000 0.486 313 Y N 2.125 122.441 120.300 0.026 0.000 2.486 313 Y HA 0.387 4.941 4.550 0.005 0.000 0.348 313 Y C 0.999 176.895 175.900 -0.006 0.000 1.000 313 Y CA -0.682 57.424 58.100 0.009 0.000 1.253 313 Y CB -0.312 38.154 38.460 0.010 0.000 1.140 313 Y HN 0.542 nan 8.280 nan 0.000 0.526 314 R N 0.615 120.791 120.500 -0.540 0.000 3.772 314 R HA -0.336 4.007 4.340 0.005 0.000 0.480 314 R C 1.550 177.718 176.300 -0.220 0.000 0.241 314 R CA 2.511 58.339 56.100 -0.454 0.000 1.508 314 R CB -1.693 28.195 30.300 -0.687 0.000 0.956 314 R HN 0.775 nan 8.270 nan 0.000 0.583 315 T N -0.908 113.526 114.554 -0.199 0.000 3.085 315 T HA 0.184 4.537 4.350 0.005 0.000 0.263 315 T C 1.410 176.078 174.700 -0.053 0.000 1.127 315 T CA 1.320 63.349 62.100 -0.119 0.000 1.103 315 T CB 0.243 69.022 68.868 -0.149 0.000 0.921 315 T HN 1.261 nan 8.240 nan 0.000 0.510 316 G N 1.811 110.596 108.800 -0.026 0.000 2.159 316 G HA2 -0.251 3.712 3.960 0.005 0.000 0.256 316 G HA3 -0.251 3.712 3.960 0.005 0.000 0.256 316 G C -0.059 174.898 174.900 0.095 0.000 0.977 316 G CA 0.588 45.740 45.100 0.086 0.000 0.652 316 G HN 1.034 nan 8.290 nan 0.000 0.531 317 K N -2.184 118.154 120.400 -0.104 0.000 2.556 317 K HA 0.670 4.993 4.320 0.005 0.000 0.289 317 K C 1.154 177.412 176.600 -0.570 0.000 1.040 317 K CA -0.089 55.951 56.287 -0.411 0.000 0.894 317 K CB 0.937 33.269 32.500 -0.280 0.000 1.547 317 K HN 1.709 nan 8.250 nan 0.000 0.417 318 G N 0.735 109.027 108.800 -0.846 0.000 2.651 318 G HA2 -0.452 3.511 3.960 0.005 0.000 0.315 318 G HA3 -0.452 3.511 3.960 0.005 0.000 0.315 318 G C 1.118 175.542 174.900 -0.793 0.000 1.258 318 G CA 1.894 46.453 45.100 -0.902 0.000 1.002 318 G HN 1.344 nan 8.290 nan 0.000 0.551 319 A N -0.874 121.202 122.820 -1.240 0.000 2.032 319 A HA 0.021 4.344 4.320 0.005 0.000 0.221 319 A C 1.792 179.261 177.584 -0.191 0.000 1.165 319 A CA 2.604 54.335 52.037 -0.511 0.000 0.645 319 A CB -0.333 18.403 19.000 -0.440 0.000 0.807 319 A HN 0.613 nan 8.150 nan 0.000 0.453 320 D N -0.450 119.821 120.400 -0.215 0.000 2.363 320 D HA 0.354 4.997 4.640 0.005 0.000 0.214 320 D C 0.621 176.963 176.300 0.069 0.000 1.093 320 D CA 0.575 54.565 54.000 -0.017 0.000 0.837 320 D CB -0.016 40.725 40.800 -0.098 0.000 0.948 320 D HN 0.432 nan 8.370 nan 0.000 0.507 321 A N 0.897 123.699 122.820 -0.030 0.000 2.498 321 A HA 0.329 4.652 4.320 0.005 0.000 0.239 321 A C 0.222 177.896 177.584 0.150 0.000 1.068 321 A CA 0.250 52.299 52.037 0.019 0.000 0.766 321 A CB 0.154 19.064 19.000 -0.150 0.000 1.003 321 A HN 0.173 nan 8.150 nan 0.000 0.497 322 I N 2.415 123.089 120.570 0.174 0.000 2.439 322 I HA 0.317 4.490 4.170 0.005 0.000 0.285 322 I C 0.547 176.729 176.117 0.108 0.000 1.021 322 I CA -0.199 61.176 61.300 0.124 0.000 1.091 322 I CB 2.213 40.252 38.000 0.066 0.000 1.242 322 I HN 0.788 nan 8.210 nan 0.000 0.439 323 T N 1.382 115.991 114.554 0.093 0.000 3.447 323 T HA -0.020 4.334 4.350 0.005 0.000 0.218 323 T C 1.578 176.250 174.700 -0.047 0.000 0.972 323 T CA 0.827 62.922 62.100 -0.008 0.000 1.264 323 T CB 0.057 68.962 68.868 0.063 0.000 1.284 323 T HN 0.632 nan 8.240 nan 0.000 0.361 324 S N 0.364 116.079 115.700 0.025 0.000 2.478 324 S HA 0.383 4.856 4.470 0.005 0.000 0.222 324 S C 1.891 176.492 174.600 0.002 0.000 1.008 324 S CA 1.031 59.241 58.200 0.016 0.000 0.928 324 S CB 0.045 63.286 63.200 0.068 0.000 0.781 324 S HN 0.986 nan 8.310 nan 0.000 0.518 325 G N 0.585 109.384 108.800 -0.003 0.000 2.213 325 G HA2 -0.186 3.777 3.960 0.005 0.000 0.226 325 G HA3 -0.186 3.777 3.960 0.005 0.000 0.226 325 G C -0.111 174.761 174.900 -0.047 0.000 0.992 325 G CA 0.081 45.161 45.100 -0.033 0.000 0.632 325 G HN 0.495 nan 8.290 nan 0.000 0.511 326 L N 0.274 121.477 121.223 -0.033 0.000 2.379 326 L HA 0.768 5.111 4.340 0.005 0.000 0.269 326 L C 0.349 177.150 176.870 -0.114 0.000 1.084 326 L CA -0.753 54.051 54.840 -0.061 0.000 0.802 326 L CB 1.588 43.630 42.059 -0.028 0.000 1.175 326 L HN 0.088 nan 8.230 nan 0.000 0.448 327 E N 1.635 121.742 120.200 -0.154 0.000 2.873 327 E HA 0.439 4.792 4.350 0.005 0.000 0.232 327 E C -1.720 174.711 176.600 -0.282 0.000 1.123 327 E CA -0.151 56.120 56.400 -0.216 0.000 0.809 327 E CB 0.987 30.581 29.700 -0.176 0.000 1.366 327 E HN 0.220 nan 8.360 nan 0.000 0.400 328 V N 2.405 122.075 119.914 -0.407 0.000 2.709 328 V HA 0.618 4.741 4.120 0.005 0.000 0.308 328 V C -0.398 175.222 176.094 -0.790 0.000 1.062 328 V CA -0.663 61.303 62.300 -0.557 0.000 0.901 328 V CB 2.420 33.860 31.823 -0.637 0.000 1.003 328 V HN 0.524 nan 8.190 nan 0.000 0.425 329 T N 4.076 118.258 114.554 -0.619 0.000 2.881 329 T HA 0.322 4.675 4.350 0.005 0.000 0.291 329 T C 0.289 174.797 174.700 -0.320 0.000 0.990 329 T CA -0.410 61.404 62.100 -0.476 0.000 0.976 329 T CB 1.116 69.903 68.868 -0.135 0.000 0.970 329 T HN 0.721 nan 8.240 nan 0.000 0.438 330 W N 2.451 123.739 121.300 -0.019 0.000 2.494 330 W HA 0.057 4.720 4.660 0.006 0.000 0.286 330 W C 1.387 177.896 176.519 -0.017 0.000 1.218 330 W CA 0.426 57.767 57.345 -0.007 0.000 1.313 330 W CB -0.244 29.264 29.460 0.080 0.000 1.105 330 W HN 0.609 nan 8.180 nan 0.000 0.561 331 T N -3.459 111.204 114.554 0.182 0.000 2.907 331 T HA 0.280 4.633 4.350 0.005 0.000 0.290 331 T C 1.002 175.704 174.700 0.005 0.000 1.066 331 T CA 0.069 62.207 62.100 0.065 0.000 1.012 331 T CB 2.172 71.031 68.868 -0.014 0.000 1.184 331 T HN -0.054 nan 8.240 nan 0.000 0.522 332 T N -1.655 112.896 114.554 -0.005 0.000 3.072 332 T HA 0.104 4.457 4.350 0.005 0.000 0.266 332 T C 0.999 175.662 174.700 -0.062 0.000 1.127 332 T CA 0.884 62.975 62.100 -0.014 0.000 1.107 332 T CB -0.800 68.071 68.868 0.004 0.000 0.910 332 T HN 1.044 nan 8.240 nan 0.000 0.513 333 T N -1.105 113.384 114.554 -0.108 0.000 3.305 333 T HA 0.487 4.840 4.350 0.005 0.000 0.348 333 T C -2.616 171.951 174.700 -0.221 0.000 1.394 333 T CA -1.471 60.539 62.100 -0.151 0.000 1.549 333 T CB 1.473 70.275 68.868 -0.109 0.000 0.962 333 T HN -0.102 nan 8.240 nan 0.000 0.609 334 P HA -0.037 nan 4.420 nan 0.000 0.228 334 P C 1.362 178.516 177.300 -0.243 0.000 1.151 334 P CA 0.971 63.834 63.100 -0.395 0.000 0.770 334 P CB -0.014 31.145 31.700 -0.901 0.000 0.786 335 T N -5.420 108.985 114.554 -0.248 0.000 3.176 335 T HA 0.271 4.625 4.350 0.005 0.000 0.263 335 T C 0.282 174.979 174.700 -0.006 0.000 1.021 335 T CA -0.325 61.691 62.100 -0.139 0.000 0.905 335 T CB -0.345 68.392 68.868 -0.219 0.000 1.057 335 T HN 0.060 nan 8.240 nan 0.000 0.558 336 Q N 0.510 120.344 119.800 0.057 0.000 2.315 336 Q HA 0.293 4.636 4.340 0.005 0.000 0.273 336 Q C -1.188 174.890 176.000 0.130 0.000 1.053 336 Q CA -0.954 54.937 55.803 0.148 0.000 0.817 336 Q CB 1.944 30.717 28.738 0.058 0.000 1.326 336 Q HN 0.528 nan 8.270 nan 0.000 0.423 337 W N 3.500 124.891 121.300 0.151 0.000 2.391 337 W HA 0.100 4.763 4.660 0.005 0.000 0.339 337 W C -0.557 175.912 176.519 -0.084 0.000 1.252 337 W CA 1.384 58.733 57.345 0.007 0.000 1.304 337 W CB 0.612 30.246 29.460 0.289 0.000 1.179 337 W HN 0.786 nan 8.180 nan 0.000 0.567 338 S N 3.485 118.562 115.700 -1.039 0.000 2.672 338 S HA 0.347 4.820 4.470 0.005 0.000 0.271 338 S C -0.755 173.346 174.600 -0.832 0.000 1.171 338 S CA -0.882 56.832 58.200 -0.810 0.000 0.817 338 S CB 1.712 64.654 63.200 -0.430 0.000 1.150 338 S HN 0.619 nan 8.310 nan 0.000 0.478 339 H N 0.228 119.097 119.070 -0.336 0.000 2.486 339 H HA 0.415 4.974 4.556 0.005 0.000 0.284 339 H C 1.354 176.682 175.328 0.000 0.000 1.103 339 H CA -0.290 55.700 56.048 -0.097 0.000 1.089 339 H CB 0.049 29.850 29.762 0.065 0.000 1.603 339 H HN 0.626 nan 8.280 nan 0.000 0.557 340 N N 0.594 119.288 118.700 -0.011 0.000 2.416 340 N HA -0.118 4.625 4.740 0.005 0.000 0.177 340 N C 1.483 177.008 175.510 0.025 0.000 1.036 340 N CA 0.144 53.207 53.050 0.021 0.000 0.901 340 N CB 0.145 38.617 38.487 -0.026 0.000 0.976 340 N HN 0.244 nan 8.380 nan 0.000 0.444 341 F N 1.145 120.986 119.950 -0.182 0.000 2.043 341 F HA -0.180 4.350 4.527 0.005 0.000 0.297 341 F C 1.612 177.237 175.800 -0.291 0.000 1.121 341 F CA 1.772 59.592 58.000 -0.300 0.000 1.199 341 F CB -0.558 38.094 39.000 -0.579 0.000 0.968 341 F HN -0.029 nan 8.300 nan 0.000 0.478 342 F N 0.448 120.404 119.950 0.011 0.000 2.325 342 F HA -0.093 4.438 4.527 0.005 0.000 0.299 342 F C 2.314 177.941 175.800 -0.290 0.000 1.090 342 F CA 1.038 58.945 58.000 -0.155 0.000 1.392 342 F CB -0.451 38.550 39.000 0.003 0.000 1.053 342 F HN 0.021 nan 8.300 nan 0.000 0.521 343 E N 0.324 120.550 120.200 0.044 0.000 2.051 343 E HA -0.206 4.147 4.350 0.005 0.000 0.192 343 E C 1.793 178.389 176.600 -0.006 0.000 0.991 343 E CA 1.302 57.730 56.400 0.047 0.000 0.799 343 E CB -0.180 29.605 29.700 0.142 0.000 0.748 343 E HN 0.353 nan 8.360 nan 0.000 0.449 344 N N 0.726 119.441 118.700 0.025 0.000 2.171 344 N HA -0.122 4.621 4.740 0.005 0.000 0.184 344 N C 1.850 177.518 175.510 0.263 0.000 1.021 344 N CA 0.529 53.706 53.050 0.213 0.000 0.854 344 N CB -0.379 38.265 38.487 0.260 0.000 0.994 344 N HN 0.057 nan 8.380 nan 0.000 0.426 345 L N 0.174 121.326 121.223 -0.118 0.000 2.013 345 L HA -0.072 4.271 4.340 0.005 0.000 0.212 345 L C 1.643 178.442 176.870 -0.119 0.000 1.073 345 L CA 1.684 56.368 54.840 -0.260 0.000 0.753 345 L CB -0.652 40.957 42.059 -0.750 0.000 0.890 345 L HN 0.069 nan 8.230 nan 0.000 0.432 346 F N -1.437 118.478 119.950 -0.059 0.000 2.664 346 F HA 0.155 4.685 4.527 0.005 0.000 0.296 346 F C 2.226 177.972 175.800 -0.091 0.000 1.125 346 F CA 0.513 58.457 58.000 -0.095 0.000 1.444 346 F CB -0.415 38.455 39.000 -0.215 0.000 1.114 346 F HN 0.164 nan 8.300 nan 0.000 0.576 347 G N -1.382 107.414 108.800 -0.007 0.000 2.777 347 G HA2 0.013 3.976 3.960 0.005 0.000 0.211 347 G HA3 0.013 3.976 3.960 0.005 0.000 0.211 347 G C -0.164 174.417 174.900 -0.532 0.000 1.149 347 G CA 0.269 45.205 45.100 -0.273 0.000 0.785 347 G HN 0.240 nan 8.290 nan 0.000 0.536 348 Y N -0.423 119.777 120.300 -0.167 0.000 2.570 348 Y HA 0.546 5.099 4.550 0.005 0.000 0.345 348 Y C -0.092 175.503 175.900 -0.507 0.000 1.014 348 Y CA -1.360 56.480 58.100 -0.433 0.000 1.063 348 Y CB 1.510 39.463 38.460 -0.845 0.000 1.272 348 Y HN -0.188 nan 8.280 nan 0.000 0.477 349 E N 0.697 120.743 120.200 -0.257 0.000 2.283 349 E HA 0.192 4.545 4.350 0.005 0.000 0.271 349 E C -1.579 174.785 176.600 -0.394 0.000 1.031 349 E CA -0.529 55.757 56.400 -0.190 0.000 0.868 349 E CB 1.146 30.843 29.700 -0.005 0.000 1.094 349 E HN 0.550 nan 8.360 nan 0.000 0.401 350 W N 0.658 122.064 121.300 0.177 0.000 2.632 350 W HA 0.354 5.017 4.660 0.005 0.000 0.328 350 W C 0.322 177.065 176.519 0.373 0.000 1.044 350 W CA -0.633 56.852 57.345 0.233 0.000 1.225 350 W CB 1.338 30.889 29.460 0.152 0.000 1.396 350 W HN 0.366 nan 8.180 nan 0.000 0.499 351 E N 2.457 123.007 120.200 0.583 0.000 2.187 351 E HA 0.408 4.761 4.350 0.005 0.000 0.268 351 E C -1.365 175.340 176.600 0.175 0.000 0.896 351 E CA -1.116 55.490 56.400 0.344 0.000 0.766 351 E CB 1.480 31.266 29.700 0.143 0.000 1.142 351 E HN 0.446 nan 8.360 nan 0.000 0.408 352 L N 3.924 125.003 121.223 -0.239 0.000 2.410 352 L HA 0.360 4.703 4.340 0.005 0.000 0.273 352 L C -0.213 176.437 176.870 -0.367 0.000 1.152 352 L CA 1.005 55.368 54.840 -0.795 0.000 0.855 352 L CB 1.219 42.698 42.059 -0.967 0.000 1.129 352 L HN 0.668 nan 8.230 nan 0.000 0.463 353 T N 3.777 118.127 114.554 -0.341 0.000 2.647 353 T HA 0.524 4.877 4.350 0.005 0.000 0.295 353 T C -1.302 173.315 174.700 -0.139 0.000 1.126 353 T CA -0.730 61.269 62.100 -0.167 0.000 1.040 353 T CB 1.045 69.858 68.868 -0.091 0.000 1.472 353 T HN 0.619 nan 8.240 nan 0.000 0.500 354 K N 1.258 121.596 120.400 -0.102 0.000 2.371 354 K HA 0.593 4.916 4.320 0.005 0.000 0.251 354 K C -0.258 176.283 176.600 -0.098 0.000 0.934 354 K CA -0.783 55.439 56.287 -0.109 0.000 0.798 354 K CB 1.932 34.363 32.500 -0.115 0.000 1.204 354 K HN 0.751 nan 8.250 nan 0.000 0.427 355 S N 1.238 116.875 115.700 -0.105 0.000 2.608 355 S HA 0.180 4.653 4.470 0.005 0.000 0.261 355 S C -1.811 172.727 174.600 -0.103 0.000 1.314 355 S CA -0.883 57.256 58.200 -0.101 0.000 0.992 355 S CB 0.551 63.689 63.200 -0.103 0.000 0.935 355 S HN 0.349 nan 8.310 nan 0.000 0.564 356 P HA 0.076 nan 4.420 nan 0.000 0.223 356 P C 0.858 178.074 177.300 -0.141 0.000 1.144 356 P CA 1.329 64.362 63.100 -0.113 0.000 0.783 356 P CB -0.180 31.450 31.700 -0.116 0.000 0.771 357 A N -1.227 121.510 122.820 -0.139 0.000 2.275 357 A HA 0.497 4.820 4.320 0.005 0.000 0.212 357 A C 1.625 179.137 177.584 -0.120 0.000 1.201 357 A CA 0.676 52.631 52.037 -0.137 0.000 0.843 357 A CB -0.866 18.061 19.000 -0.122 0.000 0.873 357 A HN 0.225 nan 8.150 nan 0.000 0.492 358 G N -1.930 106.794 108.800 -0.127 0.000 2.141 358 G HA2 0.130 4.093 3.960 0.005 0.000 0.231 358 G HA3 0.130 4.093 3.960 0.005 0.000 0.231 358 G C 0.357 175.132 174.900 -0.208 0.000 0.984 358 G CA 0.193 45.204 45.100 -0.148 0.000 0.660 358 G HN 1.512 nan 8.290 nan 0.000 0.525 359 A N 0.703 123.417 122.820 -0.177 0.000 2.316 359 A HA 0.656 4.979 4.320 0.005 0.000 0.284 359 A C 0.438 177.906 177.584 -0.194 0.000 1.115 359 A CA -0.481 51.442 52.037 -0.190 0.000 0.812 359 A CB 0.253 19.200 19.000 -0.088 0.000 1.064 359 A HN 0.426 nan 8.150 nan 0.000 0.489 360 H N 1.704 120.733 119.070 -0.068 0.000 2.848 360 H HA 0.279 4.838 4.556 0.005 0.000 0.317 360 H C 0.383 175.645 175.328 -0.110 0.000 1.046 360 H CA 0.785 56.757 56.048 -0.127 0.000 1.470 360 H CB 0.534 30.229 29.762 -0.112 0.000 1.483 360 H HN 0.795 nan 8.280 nan 0.000 0.548 361 Q N 1.807 121.558 119.800 -0.082 0.000 2.854 361 Q HA 0.460 4.803 4.340 0.005 0.000 0.331 361 Q C -1.543 174.331 176.000 -0.209 0.000 0.859 361 Q CA -1.104 54.683 55.803 -0.027 0.000 0.787 361 Q CB 1.852 30.600 28.738 0.016 0.000 1.410 361 Q HN 0.398 nan 8.270 nan 0.000 0.510 362 W N 0.154 121.468 121.300 0.023 0.000 2.844 362 W HA 0.738 5.401 4.660 0.005 0.000 0.340 362 W C -1.131 175.511 176.519 0.205 0.000 1.093 362 W CA -0.724 56.686 57.345 0.108 0.000 1.212 362 W CB 2.172 31.678 29.460 0.077 0.000 1.422 362 W HN 0.490 nan 8.180 nan 0.000 0.515 363 V N 2.241 122.461 119.914 0.510 0.000 2.823 363 V HA 0.843 4.966 4.120 0.005 0.000 0.312 363 V C -0.578 175.666 176.094 0.250 0.000 1.072 363 V CA -1.174 61.343 62.300 0.361 0.000 0.937 363 V CB 1.724 33.619 31.823 0.121 0.000 1.013 363 V HN 0.684 nan 8.190 nan 0.000 0.430 364 A N 5.426 128.158 122.820 -0.147 0.000 2.451 364 A HA 0.409 4.732 4.320 0.005 0.000 0.266 364 A C 0.230 177.572 177.584 -0.403 0.000 1.119 364 A CA -0.136 51.444 52.037 -0.762 0.000 0.786 364 A CB -0.230 17.975 19.000 -1.325 0.000 1.061 364 A HN 0.820 nan 8.150 nan 0.000 0.503 365 K N 1.799 122.023 120.400 -0.293 0.000 2.416 365 K HA 0.296 4.619 4.320 0.005 0.000 0.283 365 K C 1.223 177.763 176.600 -0.099 0.000 1.037 365 K CA 0.965 57.175 56.287 -0.127 0.000 0.995 365 K CB 0.347 32.808 32.500 -0.066 0.000 0.938 365 K HN 1.316 nan 8.250 nan 0.000 0.475 366 G N 1.868 110.626 108.800 -0.070 0.000 2.187 366 G HA2 -0.350 3.613 3.960 0.005 0.000 0.261 366 G HA3 -0.350 3.613 3.960 0.005 0.000 0.261 366 G C 0.289 175.172 174.900 -0.030 0.000 1.000 366 G CA 0.398 45.476 45.100 -0.037 0.000 0.718 366 G HN 0.825 nan 8.290 nan 0.000 0.519 367 A N -0.337 122.420 122.820 -0.106 0.000 2.386 367 A HA 0.534 4.857 4.320 0.005 0.000 0.248 367 A C 0.536 178.081 177.584 -0.065 0.000 1.082 367 A CA 0.135 52.101 52.037 -0.118 0.000 0.789 367 A CB 0.443 19.148 19.000 -0.491 0.000 1.025 367 A HN 0.313 nan 8.150 nan 0.000 0.490 368 D N 0.272 120.666 120.400 -0.011 0.000 2.383 368 D HA 0.416 5.059 4.640 0.005 0.000 0.248 368 D C 0.295 176.576 176.300 -0.031 0.000 1.170 368 D CA 0.447 54.439 54.000 -0.014 0.000 0.977 368 D CB 1.108 41.914 40.800 0.010 0.000 1.120 368 D HN 0.611 nan 8.370 nan 0.000 0.481 369 A N 0.885 123.687 122.820 -0.030 0.000 2.671 369 A HA 0.293 4.616 4.320 0.005 0.000 0.306 369 A C 0.978 178.550 177.584 -0.021 0.000 1.473 369 A CA -0.407 51.609 52.037 -0.035 0.000 1.155 369 A CB -0.604 18.360 19.000 -0.061 0.000 1.123 369 A HN 0.379 nan 8.150 nan 0.000 0.545 370 V N 0.762 120.676 119.914 0.000 0.000 3.604 370 V HA 0.344 4.467 4.120 0.005 0.000 0.277 370 V C 0.331 176.445 176.094 0.033 0.000 1.399 370 V CA -0.075 62.237 62.300 0.019 0.000 1.034 370 V CB -0.371 31.478 31.823 0.043 0.000 0.824 370 V HN 0.530 nan 8.190 nan 0.000 0.439 371 I N 4.235 124.835 120.570 0.050 0.000 2.371 371 I HA 0.447 4.620 4.170 0.005 0.000 0.290 371 I C -2.305 173.889 176.117 0.129 0.000 1.028 371 I CA -2.414 58.938 61.300 0.087 0.000 1.345 371 I CB 0.980 39.045 38.000 0.110 0.000 1.407 371 I HN 0.147 nan 8.210 nan 0.000 0.501 372 P HA 0.106 nan 4.420 nan 0.000 0.274 372 P C -0.599 176.901 177.300 0.334 0.000 1.231 372 P CA -0.271 62.940 63.100 0.186 0.000 0.790 372 P CB 0.964 32.774 31.700 0.183 0.000 0.951 373 D N 0.605 121.141 120.400 0.226 0.000 2.341 373 D HA 0.276 4.919 4.640 0.005 0.000 0.245 373 D C 1.332 177.582 176.300 -0.084 0.000 1.106 373 D CA -0.207 53.906 54.000 0.189 0.000 0.905 373 D CB 0.695 41.578 40.800 0.138 0.000 1.202 373 D HN 0.294 nan 8.370 nan 0.000 0.426 374 A N 2.581 125.107 122.820 -0.491 0.000 2.119 374 A HA -0.015 4.308 4.320 0.005 0.000 0.217 374 A C 1.101 177.949 177.584 -1.226 0.000 1.153 374 A CA 0.998 52.189 52.037 -1.409 0.000 0.692 374 A CB -0.342 17.759 19.000 -1.499 0.000 0.799 374 A HN 0.652 nan 8.150 nan 0.000 0.458 375 F N -1.933 117.869 119.950 -0.247 0.000 2.815 375 F HA 0.239 4.769 4.527 0.005 0.000 0.328 375 F C 0.109 175.858 175.800 -0.086 0.000 0.982 375 F CA -0.457 57.447 58.000 -0.160 0.000 1.154 375 F CB 0.720 39.624 39.000 -0.160 0.000 0.980 375 F HN 0.043 nan 8.300 nan 0.000 0.603 376 D N 1.709 122.161 120.400 0.087 0.000 2.441 376 D HA 0.284 4.927 4.640 0.005 0.000 0.231 376 D C -2.146 174.166 176.300 0.020 0.000 1.073 376 D CA -2.481 51.551 54.000 0.053 0.000 0.850 376 D CB 1.820 42.651 40.800 0.052 0.000 1.062 376 D HN -0.111 nan 8.370 nan 0.000 0.524 377 P HA -0.103 nan 4.420 nan 0.000 0.223 377 P C 1.044 178.340 177.300 -0.006 0.000 1.144 377 P CA 0.820 63.923 63.100 0.006 0.000 0.783 377 P CB 0.184 31.888 31.700 0.007 0.000 0.771 378 S N -2.534 113.160 115.700 -0.011 0.000 2.593 378 S HA 0.110 4.583 4.470 0.005 0.000 0.217 378 S C 0.750 175.320 174.600 -0.049 0.000 0.966 378 S CA -0.068 58.118 58.200 -0.023 0.000 0.914 378 S CB -0.433 62.757 63.200 -0.017 0.000 0.776 378 S HN 0.045 nan 8.310 nan 0.000 0.523 379 K N 1.312 121.674 120.400 -0.064 0.000 2.182 379 K HA 0.524 4.847 4.320 0.005 0.000 0.262 379 K C -0.590 175.869 176.600 -0.236 0.000 0.957 379 K CA -0.657 55.541 56.287 -0.148 0.000 0.842 379 K CB 1.188 33.617 32.500 -0.117 0.000 1.099 379 K HN 0.054 nan 8.250 nan 0.000 0.438 380 K N 1.869 122.052 120.400 -0.362 0.000 2.443 380 K HA 0.466 4.789 4.320 0.005 0.000 0.251 380 K C -0.733 175.522 176.600 -0.575 0.000 0.972 380 K CA -0.855 55.223 56.287 -0.349 0.000 0.833 380 K CB 2.010 34.425 32.500 -0.143 0.000 1.317 380 K HN 0.611 nan 8.250 nan 0.000 0.441 381 H N 0.701 119.767 119.070 -0.007 0.000 2.865 381 H HA 0.367 4.926 4.556 0.005 0.000 0.372 381 H C -0.090 175.214 175.328 -0.039 0.000 1.173 381 H CA -0.785 55.249 56.048 -0.024 0.000 1.147 381 H CB 1.840 31.587 29.762 -0.025 0.000 1.805 381 H HN 0.261 nan 8.280 nan 0.000 0.553 382 R N 1.253 121.793 120.500 0.067 0.000 2.641 382 R HA 0.198 4.541 4.340 0.005 0.000 0.269 382 R C -2.292 173.992 176.300 -0.026 0.000 1.074 382 R CA -1.516 54.564 56.100 -0.033 0.000 1.133 382 R CB -0.070 30.187 30.300 -0.072 0.000 1.029 382 R HN 0.297 nan 8.270 nan 0.000 0.488 383 P HA -0.010 nan 4.420 nan 0.000 0.266 383 P C -0.699 176.688 177.300 0.144 0.000 1.195 383 P CA 0.325 63.421 63.100 -0.007 0.000 0.768 383 P CB 0.745 32.378 31.700 -0.112 0.000 0.838 384 T N -0.185 114.458 114.554 0.148 0.000 2.883 384 T HA 0.840 5.193 4.350 0.005 0.000 0.296 384 T C -0.639 174.017 174.700 -0.072 0.000 1.117 384 T CA -0.848 61.335 62.100 0.139 0.000 1.006 384 T CB 1.248 70.094 68.868 -0.036 0.000 1.191 384 T HN 0.126 nan 8.240 nan 0.000 0.508 385 M N 1.295 120.811 119.600 -0.140 0.000 2.569 385 M HA 0.467 4.950 4.480 0.005 0.000 0.279 385 M C -1.272 175.047 176.300 0.032 0.000 1.253 385 M CA -0.680 54.495 55.300 -0.207 0.000 0.867 385 M CB 2.292 34.417 32.600 -0.792 0.000 1.727 385 M HN 0.688 nan 8.290 nan 0.000 0.467 386 L N 0.393 121.711 121.223 0.158 0.000 2.421 386 L HA 0.405 4.748 4.340 0.005 0.000 0.263 386 L C 1.555 178.525 176.870 0.168 0.000 1.122 386 L CA -0.348 54.637 54.840 0.243 0.000 0.804 386 L CB 0.445 42.677 42.059 0.289 0.000 1.150 386 L HN 0.767 nan 8.230 nan 0.000 0.457 387 T N -0.469 114.276 114.554 0.317 0.000 2.653 387 T HA -0.217 4.136 4.350 0.005 0.000 0.268 387 T C 1.737 176.465 174.700 0.047 0.000 1.035 387 T CA 2.351 64.568 62.100 0.195 0.000 1.154 387 T CB -0.313 68.764 68.868 0.348 0.000 0.862 387 T HN 0.934 nan 8.240 nan 0.000 0.441 388 T N 0.303 114.931 114.554 0.122 0.000 2.995 388 T HA -0.069 4.284 4.350 0.005 0.000 0.269 388 T C 1.453 176.174 174.700 0.035 0.000 1.091 388 T CA 0.930 63.087 62.100 0.095 0.000 1.128 388 T CB -0.229 68.734 68.868 0.159 0.000 0.891 388 T HN 0.286 nan 8.240 nan 0.000 0.492 389 D N 1.714 122.150 120.400 0.060 0.000 2.123 389 D HA 0.044 4.687 4.640 0.005 0.000 0.200 389 D C 2.160 178.371 176.300 -0.148 0.000 0.976 389 D CA 0.742 54.759 54.000 0.028 0.000 0.831 389 D CB -0.226 40.639 40.800 0.108 0.000 0.974 389 D HN 0.358 nan 8.370 nan 0.000 0.469 390 L N 1.072 122.137 121.223 -0.263 0.000 2.191 390 L HA -0.125 4.218 4.340 0.005 0.000 0.212 390 L C 2.400 179.229 176.870 -0.069 0.000 1.103 390 L CA 0.539 55.201 54.840 -0.296 0.000 0.769 390 L CB -0.396 41.367 42.059 -0.494 0.000 0.908 390 L HN -0.061 nan 8.230 nan 0.000 0.438 391 S N 0.445 116.127 115.700 -0.030 0.000 2.402 391 S HA -0.180 4.293 4.470 0.005 0.000 0.233 391 S C 1.898 176.542 174.600 0.072 0.000 1.030 391 S CA 1.221 59.461 58.200 0.067 0.000 1.003 391 S CB -0.294 62.954 63.200 0.080 0.000 0.813 391 S HN 0.393 nan 8.310 nan 0.000 0.477 392 L N 0.405 121.589 121.223 -0.065 0.000 2.362 392 L HA 0.007 4.350 4.340 0.005 0.000 0.219 392 L C 2.563 179.380 176.870 -0.088 0.000 1.134 392 L CA 0.972 55.763 54.840 -0.083 0.000 0.807 392 L CB -0.327 41.686 42.059 -0.078 0.000 0.927 392 L HN 0.263 nan 8.230 nan 0.000 0.447 393 R N -0.585 119.755 120.500 -0.267 0.000 2.221 393 R HA 0.046 4.389 4.340 0.005 0.000 0.195 393 R C 1.763 177.765 176.300 -0.497 0.000 0.956 393 R CA 0.414 56.208 56.100 -0.510 0.000 1.064 393 R CB 0.178 29.887 30.300 -0.985 0.000 1.049 393 R HN 0.160 nan 8.270 nan 0.000 0.534 394 F N 0.744 120.668 119.950 -0.043 0.000 2.731 394 F HA 0.203 4.733 4.527 0.005 0.000 0.298 394 F C 0.619 176.416 175.800 -0.005 0.000 1.106 394 F CA -0.351 57.632 58.000 -0.028 0.000 1.329 394 F CB 0.397 39.351 39.000 -0.077 0.000 1.100 394 F HN -0.042 nan 8.300 nan 0.000 0.592 395 D N 2.029 122.512 120.400 0.139 0.000 2.343 395 D HA 0.055 4.698 4.640 0.005 0.000 0.255 395 D C -1.952 174.353 176.300 0.008 0.000 1.187 395 D CA -1.618 52.414 54.000 0.054 0.000 0.875 395 D CB 1.801 42.616 40.800 0.024 0.000 1.136 395 D HN -0.005 nan 8.370 nan 0.000 0.469 396 P HA -0.106 nan 4.420 nan 0.000 0.216 396 P C 0.931 178.200 177.300 -0.053 0.000 1.150 396 P CA 1.190 64.276 63.100 -0.022 0.000 0.837 396 P CB 0.211 31.898 31.700 -0.022 0.000 0.786 397 A N -1.591 121.158 122.820 -0.118 0.000 1.897 397 A HA -0.176 4.147 4.320 0.005 0.000 0.215 397 A C 2.151 179.696 177.584 -0.064 0.000 1.181 397 A CA 1.205 53.163 52.037 -0.131 0.000 0.620 397 A CB -1.815 17.064 19.000 -0.202 0.000 0.821 397 A HN 0.188 nan 8.150 nan 0.000 0.443 398 Y N -0.555 119.703 120.300 -0.069 0.000 2.242 398 Y HA -0.183 4.370 4.550 0.005 0.000 0.291 398 Y C 2.661 178.502 175.900 -0.099 0.000 1.137 398 Y CA 0.845 58.889 58.100 -0.094 0.000 1.181 398 Y CB 0.063 38.473 38.460 -0.082 0.000 0.989 398 Y HN 0.361 nan 8.280 nan 0.000 0.527 399 E N 1.540 121.794 120.200 0.090 0.000 2.118 399 E HA -0.219 4.134 4.350 0.005 0.000 0.195 399 E C 1.597 178.198 176.600 0.003 0.000 0.992 399 E CA 1.345 57.782 56.400 0.062 0.000 0.804 399 E CB -0.014 29.707 29.700 0.035 0.000 0.741 399 E HN 0.488 nan 8.360 nan 0.000 0.458 400 K N -0.098 120.274 120.400 -0.047 0.000 2.097 400 K HA -0.040 4.283 4.320 0.005 0.000 0.205 400 K C 2.341 178.827 176.600 -0.191 0.000 1.050 400 K CA 1.187 57.411 56.287 -0.105 0.000 0.938 400 K CB -0.021 32.425 32.500 -0.089 0.000 0.718 400 K HN 0.176 nan 8.250 nan 0.000 0.442 401 I N 0.564 121.001 120.570 -0.222 0.000 2.233 401 I HA -0.232 3.941 4.170 0.005 0.000 0.243 401 I C 2.144 177.846 176.117 -0.692 0.000 1.093 401 I CA 0.918 61.933 61.300 -0.475 0.000 1.380 401 I CB -0.235 37.520 38.000 -0.408 0.000 1.067 401 I HN 0.019 nan 8.210 nan 0.000 0.413 402 S N 0.732 116.181 115.700 -0.418 0.000 2.365 402 S HA -0.188 4.285 4.470 0.005 0.000 0.225 402 S C 2.105 176.422 174.600 -0.471 0.000 1.039 402 S CA 1.264 59.162 58.200 -0.503 0.000 1.033 402 S CB -0.345 62.840 63.200 -0.025 0.000 0.887 402 S HN 0.333 nan 8.310 nan 0.000 0.447 403 R N 0.827 121.174 120.500 -0.254 0.000 2.081 403 R HA -0.046 4.297 4.340 0.005 0.000 0.235 403 R C 2.554 178.679 176.300 -0.292 0.000 1.131 403 R CA 1.259 57.127 56.100 -0.388 0.000 0.960 403 R CB -0.430 29.639 30.300 -0.385 0.000 0.856 403 R HN 0.405 nan 8.270 nan 0.000 0.436 404 R N 0.189 120.516 120.500 -0.289 0.000 2.081 404 R HA -0.073 4.270 4.340 0.005 0.000 0.235 404 R C 2.187 178.464 176.300 -0.038 0.000 1.131 404 R CA 1.339 57.329 56.100 -0.183 0.000 0.960 404 R CB -0.297 29.878 30.300 -0.209 0.000 0.856 404 R HN 0.191 nan 8.270 nan 0.000 0.436 405 F N -0.799 118.991 119.950 -0.267 0.000 2.186 405 F HA -0.201 4.329 4.527 0.005 0.000 0.299 405 F C 2.484 178.138 175.800 -0.244 0.000 1.090 405 F CA 0.699 58.539 58.000 -0.267 0.000 1.307 405 F CB -0.206 38.468 39.000 -0.544 0.000 1.019 405 F HN 0.295 nan 8.300 nan 0.000 0.489 406 H N 0.790 119.675 119.070 -0.307 0.000 2.357 406 H HA -0.114 4.445 4.556 0.005 0.000 0.301 406 H C 1.771 177.054 175.328 -0.074 0.000 1.082 406 H CA 1.884 57.847 56.048 -0.142 0.000 1.342 406 H CB -0.192 29.460 29.762 -0.183 0.000 1.389 406 H HN 0.256 nan 8.280 nan 0.000 0.511 407 E N -0.558 119.531 120.200 -0.185 0.000 2.299 407 E HA 0.018 4.371 4.350 0.005 0.000 0.193 407 E C -0.120 176.423 176.600 -0.096 0.000 0.998 407 E CA 0.365 56.635 56.400 -0.217 0.000 0.851 407 E CB 0.332 29.920 29.700 -0.187 0.000 0.795 407 E HN 0.443 nan 8.360 nan 0.000 0.492 408 N N 0.827 119.520 118.700 -0.011 0.000 2.791 408 N HA 0.121 4.864 4.740 0.005 0.000 0.265 408 N C -2.415 173.151 175.510 0.094 0.000 1.580 408 N CA -0.935 52.141 53.050 0.043 0.000 0.809 408 N CB 1.519 40.053 38.487 0.079 0.000 1.178 408 N HN -0.040 nan 8.380 nan 0.000 0.499 409 P HA -0.078 nan 4.420 nan 0.000 0.220 409 P C 1.179 178.542 177.300 0.106 0.000 1.148 409 P CA 1.076 64.158 63.100 -0.031 0.000 0.803 409 P CB 0.632 31.931 31.700 -0.669 0.000 0.782 410 E N -0.453 119.804 120.200 0.095 0.000 2.110 410 E HA -0.196 4.157 4.350 0.005 0.000 0.193 410 E C 2.117 178.790 176.600 0.122 0.000 0.988 410 E CA 1.018 57.491 56.400 0.120 0.000 0.804 410 E CB -0.295 29.461 29.700 0.094 0.000 0.745 410 E HN 0.347 nan 8.360 nan 0.000 0.458 411 Q N -0.633 119.254 119.800 0.145 0.000 2.079 411 Q HA -0.170 4.173 4.340 0.005 0.000 0.200 411 Q C 1.964 178.001 176.000 0.062 0.000 0.974 411 Q CA 1.105 57.010 55.803 0.170 0.000 0.840 411 Q CB -0.186 28.718 28.738 0.275 0.000 0.898 411 Q HN 0.290 nan 8.270 nan 0.000 0.430 412 F N 1.383 121.194 119.950 -0.232 0.000 2.102 412 F HA -0.156 4.374 4.527 0.005 0.000 0.298 412 F C 2.102 177.846 175.800 -0.093 0.000 1.105 412 F CA 1.372 58.984 58.000 -0.647 0.000 1.239 412 F CB -0.797 38.049 39.000 -0.257 0.000 0.991 412 F HN -0.010 nan 8.300 nan 0.000 0.474 413 A N -0.189 122.659 122.820 0.046 0.000 1.902 413 A HA -0.239 4.085 4.320 0.005 0.000 0.217 413 A C 1.988 179.608 177.584 0.058 0.000 1.181 413 A CA 2.026 54.115 52.037 0.086 0.000 0.623 413 A CB -1.320 17.772 19.000 0.153 0.000 0.818 413 A HN 0.493 nan 8.150 nan 0.000 0.443 414 D N -0.467 119.957 120.400 0.039 0.000 2.117 414 D HA -0.007 4.636 4.640 0.005 0.000 0.198 414 D C 2.044 178.379 176.300 0.058 0.000 0.982 414 D CA 1.589 55.614 54.000 0.042 0.000 0.828 414 D CB -0.195 40.642 40.800 0.062 0.000 0.967 414 D HN 0.330 nan 8.370 nan 0.000 0.464 415 A N -0.311 122.549 122.820 0.067 0.000 1.902 415 A HA -0.119 4.204 4.320 0.005 0.000 0.217 415 A C 2.287 179.980 177.584 0.182 0.000 1.181 415 A CA 1.192 53.300 52.037 0.118 0.000 0.623 415 A CB -1.269 17.814 19.000 0.139 0.000 0.818 415 A HN 0.496 nan 8.150 nan 0.000 0.443 416 F N 0.606 120.542 119.950 -0.023 0.000 2.146 416 F HA -0.069 4.461 4.527 0.005 0.000 0.298 416 F C 2.535 178.414 175.800 0.131 0.000 1.096 416 F CA 1.058 59.051 58.000 -0.012 0.000 1.275 416 F CB -0.057 38.785 39.000 -0.263 0.000 1.008 416 F HN 0.292 nan 8.300 nan 0.000 0.480 417 A N 0.895 123.788 122.820 0.122 0.000 1.902 417 A HA -0.200 4.123 4.320 0.005 0.000 0.217 417 A C 2.179 179.792 177.584 0.050 0.000 1.181 417 A CA 1.737 53.836 52.037 0.104 0.000 0.623 417 A CB -0.725 18.327 19.000 0.086 0.000 0.818 417 A HN 0.452 nan 8.150 nan 0.000 0.443 418 R N -0.649 119.791 120.500 -0.100 0.000 2.075 418 R HA -0.023 4.320 4.340 0.005 0.000 0.232 418 R C 2.465 178.774 176.300 0.014 0.000 1.126 418 R CA 1.179 57.114 56.100 -0.275 0.000 0.963 418 R CB -0.427 29.699 30.300 -0.289 0.000 0.858 418 R HN 0.504 nan 8.270 nan 0.000 0.435 419 A N 0.852 123.724 122.820 0.088 0.000 1.930 419 A HA -0.179 4.144 4.320 0.005 0.000 0.217 419 A C 1.863 179.524 177.584 0.129 0.000 1.175 419 A CA 0.835 52.939 52.037 0.113 0.000 0.627 419 A CB -0.836 18.282 19.000 0.196 0.000 0.815 419 A HN 0.619 nan 8.150 nan 0.000 0.443 420 W N -0.400 120.870 121.300 -0.049 0.000 2.381 420 W HA -0.212 4.452 4.660 0.005 0.000 0.301 420 W C 1.796 178.367 176.519 0.088 0.000 1.205 420 W CA 1.657 58.968 57.345 -0.056 0.000 1.285 420 W CB -0.415 28.855 29.460 -0.316 0.000 1.133 420 W HN 0.404 nan 8.180 nan 0.000 0.521 421 F N 2.148 122.157 119.950 0.099 0.000 2.102 421 F HA -0.188 4.342 4.527 0.004 0.000 0.298 421 F C 2.652 178.469 175.800 0.027 0.000 1.105 421 F CA 2.793 60.858 58.000 0.107 0.000 1.239 421 F CB -0.813 38.318 39.000 0.219 0.000 0.991 421 F HN -0.235 nan 8.300 nan 0.000 0.474 422 K N 0.248 120.569 120.400 -0.130 0.000 2.032 422 K HA -0.237 4.086 4.320 0.005 0.000 0.209 422 K C 2.192 178.382 176.600 -0.683 0.000 1.048 422 K CA 1.792 57.652 56.287 -0.711 0.000 0.927 422 K CB -0.672 31.337 32.500 -0.818 0.000 0.712 422 K HN 0.359 nan 8.250 nan 0.000 0.441 423 L N 1.422 122.397 121.223 -0.412 0.000 2.021 423 L HA -0.207 4.136 4.340 0.005 0.000 0.215 423 L C 2.136 178.745 176.870 -0.434 0.000 1.074 423 L CA 2.770 57.410 54.840 -0.334 0.000 0.760 423 L CB -1.053 40.882 42.059 -0.207 0.000 0.889 423 L HN 0.484 nan 8.230 nan 0.000 0.433 424 T N -5.280 108.961 114.554 -0.522 0.000 3.100 424 T HA 0.029 4.382 4.350 0.005 0.000 0.253 424 T C 1.015 175.307 174.700 -0.680 0.000 1.118 424 T CA 0.908 62.672 62.100 -0.560 0.000 1.058 424 T CB -0.480 68.015 68.868 -0.622 0.000 0.953 424 T HN 0.540 nan 8.240 nan 0.000 0.515 425 H N 0.230 118.924 119.070 -0.627 0.000 3.058 425 H HA 0.344 4.903 4.556 0.005 0.000 0.266 425 H C 2.131 177.238 175.328 -0.368 0.000 1.135 425 H CA -0.365 55.349 56.048 -0.557 0.000 1.174 425 H CB 0.289 29.575 29.762 -0.793 0.000 1.581 425 H HN 0.338 nan 8.280 nan 0.000 0.553 426 R N 0.867 121.075 120.500 -0.486 0.000 2.152 426 R HA -0.087 4.256 4.340 0.005 0.000 0.232 426 R C 0.087 176.170 176.300 -0.362 0.000 1.117 426 R CA 1.751 57.536 56.100 -0.525 0.000 0.981 426 R CB -0.171 29.654 30.300 -0.793 0.000 0.870 426 R HN 0.273 nan 8.270 nan 0.000 0.451 427 D N -0.094 120.068 120.400 -0.397 0.000 2.368 427 D HA 0.026 4.669 4.640 0.005 0.000 0.218 427 D C 1.372 177.600 176.300 -0.120 0.000 1.112 427 D CA -0.061 53.793 54.000 -0.243 0.000 0.834 427 D CB 0.103 40.766 40.800 -0.228 0.000 0.953 427 D HN 0.241 nan 8.370 nan 0.000 0.505 428 M N 0.213 119.764 119.600 -0.083 0.000 2.541 428 M HA 0.212 4.695 4.480 0.005 0.000 0.252 428 M C 0.954 177.241 176.300 -0.022 0.000 1.125 428 M CA 0.778 56.038 55.300 -0.068 0.000 1.091 428 M CB 0.261 32.791 32.600 -0.117 0.000 1.420 428 M HN 0.302 nan 8.290 nan 0.000 0.486 429 G N 0.851 109.667 108.800 0.028 0.000 2.568 429 G HA2 -0.176 3.787 3.960 0.005 0.000 0.222 429 G HA3 -0.176 3.787 3.960 0.005 0.000 0.222 429 G C -2.848 172.036 174.900 -0.025 0.000 1.321 429 G CA -1.226 43.854 45.100 -0.033 0.000 0.893 429 G HN 0.147 nan 8.290 nan 0.000 0.569 430 P HA 0.260 nan 4.420 nan 0.000 0.267 430 P C 0.981 178.124 177.300 -0.261 0.000 1.200 430 P CA -0.020 63.014 63.100 -0.109 0.000 0.772 430 P CB 0.276 31.992 31.700 0.027 0.000 0.855 431 R N 2.261 122.504 120.500 -0.429 0.000 2.249 431 R HA -0.136 4.207 4.340 0.005 0.000 0.230 431 R C 1.887 177.959 176.300 -0.381 0.000 1.121 431 R CA 1.367 56.998 56.100 -0.782 0.000 0.997 431 R CB -0.730 29.190 30.300 -0.633 0.000 0.867 431 R HN 0.510 nan 8.270 nan 0.000 0.465 432 A N 1.261 123.977 122.820 -0.173 0.000 2.076 432 A HA -0.156 4.167 4.320 0.005 0.000 0.220 432 A C 1.859 179.441 177.584 -0.004 0.000 1.160 432 A CA 1.071 53.079 52.037 -0.049 0.000 0.653 432 A CB -0.247 18.773 19.000 0.034 0.000 0.801 432 A HN 0.244 nan 8.150 nan 0.000 0.455 433 R N -1.813 118.666 120.500 -0.034 0.000 2.275 433 R HA 0.036 4.379 4.340 0.005 0.000 0.199 433 R C -0.465 175.914 176.300 0.131 0.000 0.989 433 R CA -0.047 56.050 56.100 -0.004 0.000 1.016 433 R CB -0.084 30.115 30.300 -0.168 0.000 0.918 433 R HN 0.486 nan 8.270 nan 0.000 0.473 434 Y N 1.635 121.883 120.300 -0.086 0.000 2.496 434 Y HA 0.133 4.686 4.550 0.006 0.000 0.334 434 Y C 0.618 176.485 175.900 -0.055 0.000 1.080 434 Y CA -0.455 57.602 58.100 -0.070 0.000 1.355 434 Y CB 0.099 38.547 38.460 -0.019 0.000 1.193 434 Y HN -0.112 nan 8.280 nan 0.000 0.523 435 L N 2.451 123.684 121.223 0.016 0.000 2.330 435 L HA 0.877 5.220 4.340 0.005 0.000 0.271 435 L C 0.639 177.635 176.870 0.211 0.000 1.013 435 L CA -0.862 54.024 54.840 0.076 0.000 0.816 435 L CB 1.776 43.837 42.059 0.002 0.000 1.287 435 L HN 0.802 nan 8.230 nan 0.000 0.435 436 G N 1.769 110.739 108.800 0.284 0.000 2.655 436 G HA2 -0.119 3.844 3.960 0.005 0.000 0.680 436 G HA3 -0.119 3.844 3.960 0.005 0.000 0.680 436 G C -2.419 172.582 174.900 0.169 0.000 1.302 436 G CA -0.320 44.961 45.100 0.301 0.000 0.872 436 G HN 0.540 nan 8.290 nan 0.000 0.540 437 P HA 0.194 nan 4.420 nan 0.000 0.255 437 P C 0.599 177.945 177.300 0.076 0.000 1.248 437 P CA 0.872 64.018 63.100 0.075 0.000 0.807 437 P CB 0.359 32.084 31.700 0.042 0.000 1.150 438 E N -0.315 119.966 120.200 0.135 0.000 2.558 438 E HA 0.147 4.500 4.350 0.005 0.000 0.205 438 E C -0.207 176.437 176.600 0.073 0.000 1.006 438 E CA -0.239 56.229 56.400 0.114 0.000 0.961 438 E CB 0.946 30.777 29.700 0.218 0.000 1.044 438 E HN 0.011 nan 8.360 nan 0.000 0.465 439 V N 3.672 123.627 119.914 0.068 0.000 2.521 439 V HA 0.067 4.190 4.120 0.005 0.000 0.286 439 V C -2.020 174.030 176.094 -0.075 0.000 1.034 439 V CA -1.269 61.066 62.300 0.058 0.000 1.045 439 V CB 0.096 32.004 31.823 0.141 0.000 0.974 439 V HN 0.081 nan 8.190 nan 0.000 0.480 440 P HA 0.190 nan 4.420 nan 0.000 0.267 440 P C 0.479 177.647 177.300 -0.219 0.000 1.205 440 P CA -0.084 62.776 63.100 -0.400 0.000 0.765 440 P CB 0.947 32.213 31.700 -0.723 0.000 0.828 441 A N 2.918 125.612 122.820 -0.210 0.000 1.968 441 A HA -0.124 4.199 4.320 0.005 0.000 0.217 441 A C 1.060 178.576 177.584 -0.114 0.000 1.169 441 A CA 0.665 52.623 52.037 -0.132 0.000 0.638 441 A CB -0.753 18.179 19.000 -0.115 0.000 0.812 441 A HN 0.648 nan 8.150 nan 0.000 0.446 442 E N 0.682 120.807 120.200 -0.125 0.000 2.417 442 E HA 0.259 4.612 4.350 0.005 0.000 0.261 442 E C -1.034 175.545 176.600 -0.035 0.000 1.000 442 E CA -0.326 56.049 56.400 -0.042 0.000 0.919 442 E CB 0.507 30.239 29.700 0.054 0.000 0.955 442 E HN 0.131 nan 8.360 nan 0.000 0.455 443 V N 6.787 126.667 119.914 -0.057 0.000 2.488 443 V HA 0.165 4.288 4.120 0.005 0.000 0.277 443 V C 0.281 176.306 176.094 -0.115 0.000 1.046 443 V CA -0.196 62.040 62.300 -0.107 0.000 0.986 443 V CB 0.646 32.406 31.823 -0.106 0.000 0.989 443 V HN 0.567 nan 8.190 nan 0.000 0.475 444 L N 4.768 125.851 121.223 -0.233 0.000 2.325 444 L HA 0.379 4.722 4.340 0.005 0.000 0.278 444 L C 0.991 177.658 176.870 -0.339 0.000 1.023 444 L CA -0.662 54.005 54.840 -0.288 0.000 0.811 444 L CB 1.451 43.204 42.059 -0.510 0.000 1.249 444 L HN 0.485 nan 8.230 nan 0.000 0.431 445 L N 3.228 124.367 121.223 -0.141 0.000 2.079 445 L HA -0.169 4.174 4.340 0.005 0.000 0.210 445 L C 2.078 178.938 176.870 -0.017 0.000 1.081 445 L CA 1.832 56.646 54.840 -0.045 0.000 0.752 445 L CB -0.567 41.526 42.059 0.057 0.000 0.896 445 L HN 0.783 nan 8.230 nan 0.000 0.433 446 W N -1.100 120.239 121.300 0.065 0.000 2.611 446 W HA -0.110 4.553 4.660 0.004 0.000 0.251 446 W C 1.315 177.867 176.519 0.056 0.000 1.265 446 W CA 0.272 57.656 57.345 0.064 0.000 1.295 446 W CB -1.099 28.401 29.460 0.067 0.000 1.129 446 W HN 0.336 nan 8.180 nan 0.000 0.630 447 Q N 0.977 120.531 119.800 -0.410 0.000 2.444 447 Q HA -0.055 4.288 4.340 0.005 0.000 0.206 447 Q C -0.298 175.633 176.000 -0.115 0.000 0.948 447 Q CA 0.471 56.062 55.803 -0.353 0.000 0.946 447 Q CB -0.367 27.994 28.738 -0.629 0.000 1.027 447 Q HN 0.062 nan 8.270 nan 0.000 0.513 448 D N 1.223 121.600 120.400 -0.038 0.000 2.735 448 D HA -0.132 4.511 4.640 0.005 0.000 0.235 448 D C -2.431 173.844 176.300 -0.042 0.000 1.175 448 D CA 0.511 54.508 54.000 -0.005 0.000 0.683 448 D CB -0.762 40.065 40.800 0.044 0.000 1.008 448 D HN 0.303 nan 8.370 nan 0.000 0.416 449 P HA 0.195 nan 4.420 nan 0.000 0.269 449 P C 0.359 177.625 177.300 -0.056 0.000 1.209 449 P CA -0.105 62.938 63.100 -0.095 0.000 0.776 449 P CB 0.871 32.502 31.700 -0.113 0.000 0.876 450 I N 3.643 124.180 120.570 -0.056 0.000 2.406 450 I HA 0.298 4.471 4.170 0.005 0.000 0.290 450 I C -2.001 174.091 176.117 -0.042 0.000 0.999 450 I CA -2.513 58.765 61.300 -0.036 0.000 1.124 450 I CB 1.641 39.628 38.000 -0.022 0.000 1.289 450 I HN 0.201 nan 8.210 nan 0.000 0.441 451 P HA 0.162 nan 4.420 nan 0.000 0.269 451 P C -0.577 176.702 177.300 -0.035 0.000 1.215 451 P CA -0.363 62.720 63.100 -0.029 0.000 0.780 451 P CB 0.519 32.212 31.700 -0.012 0.000 0.898 452 A N 2.026 124.821 122.820 -0.042 0.000 2.445 452 A HA 0.277 4.600 4.320 0.005 0.000 0.242 452 A C -0.049 177.496 177.584 -0.066 0.000 1.075 452 A CA -0.344 51.660 52.037 -0.054 0.000 0.777 452 A CB 0.005 18.974 19.000 -0.052 0.000 1.013 452 A HN 0.388 nan 8.150 nan 0.000 0.493 453 V N 2.487 122.337 119.914 -0.107 0.000 2.461 453 V HA 0.234 4.357 4.120 0.005 0.000 0.275 453 V C -0.019 175.945 176.094 -0.216 0.000 1.047 453 V CA 0.336 62.511 62.300 -0.207 0.000 0.955 453 V CB 1.181 32.836 31.823 -0.279 0.000 0.988 453 V HN 1.013 nan 8.190 nan 0.000 0.471 454 D N 1.762 122.035 120.400 -0.213 0.000 2.571 454 D HA 0.201 4.844 4.640 0.005 0.000 0.239 454 D C -0.055 176.229 176.300 -0.027 0.000 1.267 454 D CA -0.284 53.663 54.000 -0.089 0.000 0.823 454 D CB -0.038 40.758 40.800 -0.006 0.000 1.056 454 D HN 0.775 nan 8.370 nan 0.000 0.494 455 H N -3.336 115.740 119.070 0.010 0.000 2.985 455 H HA 0.737 5.296 4.556 0.005 0.000 0.360 455 H C -3.069 172.272 175.328 0.022 0.000 1.221 455 H CA -2.272 53.786 56.048 0.016 0.000 1.121 455 H CB -0.147 29.629 29.762 0.024 0.000 1.854 455 H HN -0.329 nan 8.280 nan 0.000 0.551 456 P HA 0.073 nan 4.420 nan 0.000 0.266 456 P C -0.352 177.121 177.300 0.289 0.000 1.195 456 P CA -0.077 63.125 63.100 0.170 0.000 0.768 456 P CB 0.614 32.390 31.700 0.126 0.000 0.838 457 L N 3.013 124.338 121.223 0.171 0.000 2.399 457 L HA 0.412 4.755 4.340 0.005 0.000 0.265 457 L C 1.053 178.027 176.870 0.173 0.000 1.089 457 L CA -1.218 53.732 54.840 0.184 0.000 0.802 457 L CB 0.445 42.558 42.059 0.091 0.000 1.180 457 L HN 0.377 nan 8.230 nan 0.000 0.454 458 I N -1.118 119.566 120.570 0.189 0.000 2.813 458 I HA 0.102 4.275 4.170 0.005 0.000 0.287 458 I C -0.179 176.025 176.117 0.144 0.000 1.196 458 I CA -0.495 60.913 61.300 0.180 0.000 1.421 458 I CB 0.290 38.367 38.000 0.128 0.000 1.365 458 I HN 0.576 nan 8.210 nan 0.000 0.591 459 D N 4.027 124.506 120.400 0.132 0.000 2.588 459 D HA 0.516 5.159 4.640 0.005 0.000 0.268 459 D C 0.863 177.222 176.300 0.099 0.000 1.176 459 D CA -0.348 53.714 54.000 0.103 0.000 1.080 459 D CB 0.950 41.800 40.800 0.084 0.000 1.186 459 D HN 0.591 nan 8.370 nan 0.000 0.619 460 A N -0.401 122.467 122.820 0.081 0.000 1.972 460 A HA 0.098 4.421 4.320 0.005 0.000 0.219 460 A C 2.100 179.720 177.584 0.060 0.000 1.169 460 A CA 2.216 54.297 52.037 0.073 0.000 0.635 460 A CB -1.331 17.705 19.000 0.060 0.000 0.810 460 A HN 0.647 nan 8.150 nan 0.000 0.446 461 A N 0.049 122.907 122.820 0.063 0.000 1.930 461 A HA -0.130 4.193 4.320 0.005 0.000 0.217 461 A C 1.724 179.354 177.584 0.077 0.000 1.175 461 A CA 1.642 53.716 52.037 0.062 0.000 0.627 461 A CB -0.410 18.628 19.000 0.062 0.000 0.815 461 A HN 0.478 nan 8.150 nan 0.000 0.443 462 D N 0.295 120.758 120.400 0.106 0.000 2.149 462 D HA -0.019 4.624 4.640 0.005 0.000 0.201 462 D C 2.196 178.489 176.300 -0.013 0.000 0.972 462 D CA 1.356 55.441 54.000 0.141 0.000 0.835 462 D CB -0.399 40.546 40.800 0.242 0.000 0.966 462 D HN 0.426 nan 8.370 nan 0.000 0.476 463 A N 1.303 124.111 122.820 -0.020 0.000 1.933 463 A HA -0.033 4.290 4.320 0.005 0.000 0.218 463 A C 2.333 179.858 177.584 -0.099 0.000 1.175 463 A CA 2.030 54.005 52.037 -0.104 0.000 0.628 463 A CB -0.559 18.423 19.000 -0.031 0.000 0.814 463 A HN 0.239 nan 8.150 nan 0.000 0.444 464 A N -0.470 122.331 122.820 -0.031 0.000 1.930 464 A HA -0.139 4.184 4.320 0.005 0.000 0.217 464 A C 2.029 179.600 177.584 -0.022 0.000 1.175 464 A CA 1.661 53.685 52.037 -0.022 0.000 0.627 464 A CB -0.490 18.513 19.000 0.006 0.000 0.815 464 A HN 0.664 nan 8.150 nan 0.000 0.443 465 E N -0.060 120.141 120.200 0.002 0.000 2.051 465 E HA -0.185 4.168 4.350 0.005 0.000 0.192 465 E C 1.934 178.522 176.600 -0.021 0.000 0.991 465 E CA 1.277 57.693 56.400 0.026 0.000 0.799 465 E CB -0.215 29.553 29.700 0.112 0.000 0.748 465 E HN 0.613 nan 8.360 nan 0.000 0.449 466 L N 0.617 121.773 121.223 -0.111 0.000 2.046 466 L HA -0.184 4.159 4.340 0.005 0.000 0.208 466 L C 2.657 179.444 176.870 -0.138 0.000 1.077 466 L CA 1.283 56.011 54.840 -0.186 0.000 0.747 466 L CB -0.276 41.560 42.059 -0.372 0.000 0.896 466 L HN 0.058 nan 8.230 nan 0.000 0.432 467 K N -0.120 120.200 120.400 -0.133 0.000 2.103 467 K HA -0.166 4.157 4.320 0.005 0.000 0.207 467 K C 2.189 178.752 176.600 -0.061 0.000 1.048 467 K CA 1.400 57.625 56.287 -0.103 0.000 0.930 467 K CB -0.232 32.210 32.500 -0.096 0.000 0.716 467 K HN 0.313 nan 8.250 nan 0.000 0.444 468 A N 1.516 124.310 122.820 -0.042 0.000 1.929 468 A HA -0.146 4.177 4.320 0.005 0.000 0.216 468 A C 1.867 179.441 177.584 -0.017 0.000 1.176 468 A CA 1.311 53.335 52.037 -0.022 0.000 0.628 468 A CB -0.168 18.827 19.000 -0.008 0.000 0.816 468 A HN 0.159 nan 8.150 nan 0.000 0.444 469 K N -0.434 119.955 120.400 -0.019 0.000 2.057 469 K HA -0.036 4.287 4.320 0.005 0.000 0.206 469 K C 1.851 178.440 176.600 -0.019 0.000 1.050 469 K CA 1.246 57.527 56.287 -0.009 0.000 0.935 469 K CB -0.295 32.207 32.500 0.003 0.000 0.715 469 K HN 0.269 nan 8.250 nan 0.000 0.439 470 V N 1.836 121.727 119.914 -0.038 0.000 2.287 470 V HA -0.263 3.860 4.120 0.005 0.000 0.248 470 V C 2.163 178.243 176.094 -0.024 0.000 1.053 470 V CA 1.713 63.991 62.300 -0.036 0.000 1.027 470 V CB -0.375 31.415 31.823 -0.055 0.000 0.646 470 V HN 0.299 nan 8.190 nan 0.000 0.447 471 L N -0.106 121.102 121.223 -0.025 0.000 2.141 471 L HA -0.072 4.271 4.340 0.005 0.000 0.209 471 L C 2.539 179.402 176.870 -0.011 0.000 1.094 471 L CA 1.280 56.109 54.840 -0.019 0.000 0.763 471 L CB -0.658 41.389 42.059 -0.020 0.000 0.908 471 L HN 0.363 nan 8.230 nan 0.000 0.437 472 A N -0.209 122.606 122.820 -0.009 0.000 2.168 472 A HA -0.118 4.205 4.320 0.005 0.000 0.215 472 A C 2.413 179.996 177.584 -0.002 0.000 1.152 472 A CA 1.287 53.322 52.037 -0.004 0.000 0.716 472 A CB -0.407 18.593 19.000 -0.000 0.000 0.794 472 A HN 0.499 nan 8.150 nan 0.000 0.465 473 S N -1.845 113.853 115.700 -0.004 0.000 2.489 473 S HA 0.303 4.776 4.470 0.005 0.000 0.228 473 S C 1.576 176.176 174.600 -0.000 0.000 0.995 473 S CA 1.220 59.419 58.200 -0.001 0.000 0.934 473 S CB -0.340 62.858 63.200 -0.003 0.000 0.771 473 S HN 1.814 nan 8.310 nan 0.000 0.522 474 G N 0.679 109.478 108.800 -0.002 0.000 2.175 474 G HA2 -0.220 3.743 3.960 0.005 0.000 0.244 474 G HA3 -0.220 3.743 3.960 0.005 0.000 0.244 474 G C -0.008 174.892 174.900 -0.000 0.000 0.982 474 G CA 0.065 45.165 45.100 -0.001 0.000 0.641 474 G HN 0.536 nan 8.290 nan 0.000 0.527 475 L N 2.195 123.417 121.223 -0.001 0.000 2.525 475 L HA 0.387 4.730 4.340 0.005 0.000 0.278 475 L C 1.652 178.521 176.870 -0.002 0.000 1.218 475 L CA 0.777 55.618 54.840 0.001 0.000 0.878 475 L CB 0.486 42.545 42.059 0.001 0.000 1.127 475 L HN 0.468 nan 8.230 nan 0.000 0.492 476 T N -0.700 113.854 114.554 0.000 0.000 2.881 476 T HA 0.276 4.629 4.350 0.005 0.000 0.278 476 T C 1.282 175.975 174.700 -0.011 0.000 0.982 476 T CA -0.976 61.121 62.100 -0.005 0.000 0.989 476 T CB 1.545 70.411 68.868 -0.003 0.000 1.058 476 T HN 0.231 nan 8.240 nan 0.000 0.529 477 V N 1.350 121.250 119.914 -0.024 0.000 2.282 477 V HA -0.206 3.917 4.120 0.005 0.000 0.249 477 V C 3.051 179.126 176.094 -0.032 0.000 1.057 477 V CA 2.579 64.854 62.300 -0.042 0.000 1.032 477 V CB -1.238 30.548 31.823 -0.062 0.000 0.645 477 V HN 1.110 nan 8.190 nan 0.000 0.447 478 S N -1.057 114.630 115.700 -0.022 0.000 2.359 478 S HA -0.315 4.158 4.470 0.005 0.000 0.224 478 S C 2.042 176.656 174.600 0.023 0.000 1.035 478 S CA 2.252 60.448 58.200 -0.006 0.000 1.018 478 S CB -0.257 62.941 63.200 -0.004 0.000 0.876 478 S HN 0.722 nan 8.310 nan 0.000 0.448 479 Q N 0.063 119.877 119.800 0.024 0.000 2.079 479 Q HA -0.003 4.340 4.340 0.005 0.000 0.200 479 Q C 2.343 178.379 176.000 0.059 0.000 0.974 479 Q CA 1.560 57.387 55.803 0.040 0.000 0.840 479 Q CB -0.250 28.505 28.738 0.027 0.000 0.898 479 Q HN 0.527 nan 8.270 nan 0.000 0.430 480 L N -0.384 120.867 121.223 0.046 0.000 2.027 480 L HA -0.155 4.188 4.340 0.005 0.000 0.206 480 L C 2.328 179.276 176.870 0.129 0.000 1.074 480 L CA 0.714 55.593 54.840 0.065 0.000 0.745 480 L CB -0.405 41.671 42.059 0.028 0.000 0.898 480 L HN 0.082 nan 8.230 nan 0.000 0.433 481 V N -0.962 119.008 119.914 0.094 0.000 2.307 481 V HA -0.239 3.884 4.120 0.005 0.000 0.245 481 V C 2.573 178.860 176.094 0.322 0.000 1.045 481 V CA 1.955 64.352 62.300 0.162 0.000 1.024 481 V CB -0.356 31.445 31.823 -0.036 0.000 0.651 481 V HN 0.359 nan 8.190 nan 0.000 0.449 482 S N -0.148 115.676 115.700 0.207 0.000 2.370 482 S HA -0.214 4.259 4.470 0.005 0.000 0.226 482 S C 2.071 176.831 174.600 0.266 0.000 1.033 482 S CA 2.026 60.370 58.200 0.239 0.000 1.011 482 S CB -0.435 62.851 63.200 0.143 0.000 0.852 482 S HN 0.693 nan 8.310 nan 0.000 0.457 483 T N 2.227 116.899 114.554 0.197 0.000 2.737 483 T HA 0.016 4.369 4.350 0.005 0.000 0.265 483 T C 2.176 176.974 174.700 0.163 0.000 1.038 483 T CA 1.202 63.391 62.100 0.148 0.000 1.144 483 T CB -0.471 68.457 68.868 0.099 0.000 0.866 483 T HN 0.463 nan 8.240 nan 0.000 0.434 484 A N 1.190 124.154 122.820 0.240 0.000 1.930 484 A HA -0.077 4.246 4.320 0.005 0.000 0.217 484 A C 2.149 179.813 177.584 0.133 0.000 1.175 484 A CA 1.092 53.253 52.037 0.206 0.000 0.627 484 A CB -1.046 18.179 19.000 0.376 0.000 0.815 484 A HN 0.745 nan 8.150 nan 0.000 0.443 485 W N 0.871 122.257 121.300 0.145 0.000 2.335 485 W HA -0.233 4.430 4.660 0.004 0.000 0.311 485 W C 2.265 178.802 176.519 0.030 0.000 1.213 485 W CA 2.146 59.523 57.345 0.055 0.000 1.274 485 W CB -0.333 29.243 29.460 0.193 0.000 1.148 485 W HN 0.422 nan 8.180 nan 0.000 0.498 486 A N 0.968 123.840 122.820 0.087 0.000 1.908 486 A HA -0.123 4.200 4.320 0.005 0.000 0.218 486 A C 2.152 179.679 177.584 -0.096 0.000 1.181 486 A CA 2.804 54.836 52.037 -0.008 0.000 0.627 486 A CB -1.321 17.740 19.000 0.101 0.000 0.818 486 A HN 0.356 nan 8.150 nan 0.000 0.445 487 A N -0.469 122.303 122.820 -0.080 0.000 1.873 487 A HA 0.228 4.551 4.320 0.005 0.000 0.215 487 A C 2.447 179.934 177.584 -0.162 0.000 1.186 487 A CA 2.028 54.010 52.037 -0.092 0.000 0.616 487 A CB -0.843 18.121 19.000 -0.060 0.000 0.823 487 A HN 1.041 nan 8.150 nan 0.000 0.442 488 A N -0.143 122.510 122.820 -0.279 0.000 1.975 488 A HA 0.099 4.422 4.320 0.005 0.000 0.215 488 A C 2.198 179.530 177.584 -0.420 0.000 1.170 488 A CA 1.556 53.386 52.037 -0.346 0.000 0.656 488 A CB -0.606 18.125 19.000 -0.449 0.000 0.821 488 A HN 0.930 nan 8.150 nan 0.000 0.449 489 S N -0.059 115.242 115.700 -0.666 0.000 2.650 489 S HA -0.041 4.432 4.470 0.005 0.000 0.219 489 S C 1.402 175.814 174.600 -0.312 0.000 0.960 489 S CA 1.034 58.770 58.200 -0.774 0.000 0.925 489 S CB -0.983 61.216 63.200 -1.668 0.000 0.775 489 S HN 0.641 nan 8.310 nan 0.000 0.525 490 T N -1.519 112.950 114.554 -0.141 0.000 3.085 490 T HA 0.186 4.539 4.350 0.005 0.000 0.263 490 T C 0.287 175.010 174.700 0.038 0.000 1.127 490 T CA -0.399 61.707 62.100 0.010 0.000 1.103 490 T CB -0.752 68.183 68.868 0.113 0.000 0.921 490 T HN 0.386 nan 8.240 nan 0.000 0.510 491 F N 4.368 124.254 119.950 -0.108 0.000 2.572 491 F HA 0.320 4.850 4.527 0.004 0.000 0.370 491 F C 0.681 176.459 175.800 -0.038 0.000 1.103 491 F CA -0.977 56.987 58.000 -0.060 0.000 1.286 491 F CB 0.590 39.532 39.000 -0.097 0.000 1.105 491 F HN 0.167 nan 8.300 nan 0.000 0.583 492 R N 4.083 124.107 120.500 -0.793 0.000 2.628 492 R HA 0.505 4.848 4.340 0.005 0.000 0.288 492 R C 0.250 176.062 176.300 -0.812 0.000 0.980 492 R CA -0.499 55.276 56.100 -0.541 0.000 0.891 492 R CB 1.236 31.382 30.300 -0.256 0.000 1.188 492 R HN 0.750 nan 8.270 nan 0.000 0.450 493 G N 0.929 109.552 108.800 -0.295 0.000 2.534 493 G HA2 -0.217 3.746 3.960 0.005 0.000 0.217 493 G HA3 -0.217 3.746 3.960 0.005 0.000 0.217 493 G C 1.197 176.070 174.900 -0.045 0.000 1.128 493 G CA 0.637 45.715 45.100 -0.036 0.000 0.784 493 G HN 0.741 nan 8.290 nan 0.000 0.542 494 S N 1.548 117.194 115.700 -0.090 0.000 2.356 494 S HA -0.147 4.326 4.470 0.005 0.000 0.223 494 S C 1.599 176.196 174.600 -0.005 0.000 1.032 494 S CA 1.734 59.910 58.200 -0.041 0.000 1.005 494 S CB -0.137 63.027 63.200 -0.061 0.000 0.867 494 S HN 0.471 nan 8.310 nan 0.000 0.449 495 D N -0.419 119.961 120.400 -0.034 0.000 2.527 495 D HA 0.203 4.846 4.640 0.005 0.000 0.224 495 D C 0.067 176.331 176.300 -0.059 0.000 1.217 495 D CA -0.292 53.716 54.000 0.013 0.000 0.819 495 D CB -0.531 40.378 40.800 0.181 0.000 1.061 495 D HN 0.420 nan 8.370 nan 0.000 0.515 496 K N 0.132 120.421 120.400 -0.186 0.000 3.088 496 K HA -0.221 4.102 4.320 0.005 0.000 0.273 496 K C -0.134 176.404 176.600 -0.104 0.000 1.111 496 K CA 0.596 56.773 56.287 -0.183 0.000 0.803 496 K CB -1.228 31.305 32.500 0.054 0.000 1.226 496 K HN 0.322 nan 8.250 nan 0.000 0.485 497 R N 0.239 120.631 120.500 -0.179 0.000 2.528 497 R HA 0.553 4.896 4.340 0.005 0.000 0.271 497 R C 0.946 177.204 176.300 -0.069 0.000 1.056 497 R CA 0.202 56.278 56.100 -0.041 0.000 1.117 497 R CB 1.155 31.467 30.300 0.020 0.000 1.085 497 R HN 0.330 nan 8.270 nan 0.000 0.530 498 G N -0.427 108.423 108.800 0.083 0.000 2.660 498 G HA2 0.232 4.195 3.960 0.005 0.000 0.247 498 G HA3 0.232 4.195 3.960 0.005 0.000 0.247 498 G C -0.088 174.962 174.900 0.250 0.000 1.328 498 G CA -0.449 44.727 45.100 0.127 0.000 0.884 498 G HN 1.136 nan 8.290 nan 0.000 0.531 499 G N -2.623 106.278 108.800 0.170 0.000 2.592 499 G HA2 0.485 4.448 3.960 0.005 0.000 0.684 499 G HA3 0.485 4.448 3.960 0.005 0.000 0.684 499 G C 0.895 175.789 174.900 -0.011 0.000 1.291 499 G CA 0.951 46.099 45.100 0.080 0.000 0.891 499 G HN 2.449 nan 8.290 nan 0.000 0.544 500 A N -0.239 122.534 122.820 -0.079 0.000 2.123 500 A HA 0.325 4.648 4.320 0.005 0.000 0.214 500 A C 1.253 178.810 177.584 -0.045 0.000 1.152 500 A CA 1.484 53.476 52.037 -0.075 0.000 0.728 500 A CB -0.279 18.658 19.000 -0.105 0.000 0.814 500 A HN 1.169 nan 8.150 nan 0.000 0.464 501 N N -0.068 118.608 118.700 -0.040 0.000 2.458 501 N HA 0.324 5.067 4.740 0.005 0.000 0.258 501 N C 1.141 176.647 175.510 -0.007 0.000 1.219 501 N CA 1.572 54.607 53.050 -0.024 0.000 0.902 501 N CB 0.585 39.058 38.487 -0.022 0.000 1.076 501 N HN 0.584 nan 8.380 nan 0.000 0.455 502 G N 2.177 110.973 108.800 -0.007 0.000 2.234 502 G HA2 -0.149 3.814 3.960 0.005 0.000 0.235 502 G HA3 -0.149 3.814 3.960 0.005 0.000 0.235 502 G C 0.459 175.350 174.900 -0.014 0.000 0.997 502 G CA 0.432 45.527 45.100 -0.007 0.000 0.623 502 G HN 1.669 nan 8.290 nan 0.000 0.514 503 A N -0.647 122.163 122.820 -0.017 0.000 2.704 503 A HA -0.268 4.055 4.320 0.005 0.000 0.299 503 A C 1.524 179.082 177.584 -0.044 0.000 1.507 503 A CA 2.282 54.303 52.037 -0.025 0.000 0.776 503 A CB -1.643 17.349 19.000 -0.013 0.000 1.027 503 A HN 1.024 nan 8.150 nan 0.000 0.475 504 R N -0.775 119.692 120.500 -0.055 0.000 2.307 504 R HA 0.128 4.471 4.340 0.005 0.000 0.199 504 R C 1.900 178.116 176.300 -0.140 0.000 1.000 504 R CA 0.996 57.046 56.100 -0.084 0.000 1.023 504 R CB -0.196 30.060 30.300 -0.072 0.000 0.908 504 R HN 0.819 nan 8.270 nan 0.000 0.473 505 I N 2.033 122.529 120.570 -0.124 0.000 2.567 505 I HA -0.270 3.903 4.170 0.005 0.000 0.257 505 I C 2.312 178.349 176.117 -0.134 0.000 1.184 505 I CA 1.233 62.443 61.300 -0.150 0.000 1.451 505 I CB 0.012 37.958 38.000 -0.091 0.000 1.089 505 I HN 0.128 nan 8.210 nan 0.000 0.441 506 R N 0.373 120.816 120.500 -0.095 0.000 2.297 506 R HA 0.118 4.461 4.340 0.005 0.000 0.197 506 R C 0.317 176.567 176.300 -0.084 0.000 0.943 506 R CA 0.071 56.126 56.100 -0.075 0.000 1.038 506 R CB -0.162 30.111 30.300 -0.045 0.000 0.957 506 R HN 0.288 nan 8.270 nan 0.000 0.484 507 L N 0.836 121.992 121.223 -0.111 0.000 2.365 507 L HA 0.561 4.904 4.340 0.005 0.000 0.267 507 L C 0.275 177.057 176.870 -0.147 0.000 1.033 507 L CA -1.371 53.408 54.840 -0.103 0.000 0.802 507 L CB 1.264 43.273 42.059 -0.085 0.000 1.267 507 L HN 0.011 nan 8.230 nan 0.000 0.457 508 A N 1.513 124.267 122.820 -0.109 0.000 2.462 508 A HA 0.322 4.645 4.320 0.005 0.000 0.243 508 A C -1.777 175.723 177.584 -0.141 0.000 1.076 508 A CA -0.770 51.196 52.037 -0.119 0.000 0.773 508 A CB -0.180 18.790 19.000 -0.050 0.000 1.010 508 A HN 0.615 nan 8.150 nan 0.000 0.493 509 P HA 0.013 nan 4.420 nan 0.000 0.257 509 P C 0.790 177.633 177.300 -0.762 0.000 1.241 509 P CA 0.412 63.360 63.100 -0.254 0.000 0.816 509 P CB 0.359 32.068 31.700 0.015 0.000 1.150 510 Q N 1.371 120.558 119.800 -1.021 0.000 2.152 510 Q HA -0.179 4.164 4.340 0.005 0.000 0.206 510 Q C 2.100 177.658 176.000 -0.737 0.000 0.985 510 Q CA 1.809 56.709 55.803 -1.505 0.000 0.863 510 Q CB -0.452 27.705 28.738 -0.969 0.000 0.904 510 Q HN 0.465 nan 8.270 nan 0.000 0.422 511 K N 0.120 120.274 120.400 -0.411 0.000 2.362 511 K HA -0.114 4.209 4.320 0.005 0.000 0.200 511 K C 0.528 177.053 176.600 -0.124 0.000 1.046 511 K CA 1.425 57.591 56.287 -0.202 0.000 0.952 511 K CB 0.266 32.687 32.500 -0.133 0.000 0.753 511 K HN 0.091 nan 8.250 nan 0.000 0.466 512 D N -0.210 120.102 120.400 -0.148 0.000 2.369 512 D HA 0.004 4.647 4.640 0.005 0.000 0.211 512 D C -0.227 176.163 176.300 0.151 0.000 1.077 512 D CA -0.022 53.979 54.000 0.001 0.000 0.842 512 D CB 0.112 40.924 40.800 0.020 0.000 0.947 512 D HN 0.163 nan 8.370 nan 0.000 0.509 513 W N 2.482 123.790 121.300 0.014 0.000 2.210 513 W HA 0.102 4.769 4.660 0.012 0.000 0.330 513 W C 1.819 178.335 176.519 -0.005 0.000 1.334 513 W CA -0.995 56.358 57.345 0.014 0.000 1.227 513 W CB 0.357 29.819 29.460 0.003 0.000 1.178 513 W HN 0.067 nan 8.180 nan 0.000 0.560 514 E N 2.531 122.869 120.200 0.230 0.000 2.070 514 E HA -0.249 4.104 4.350 0.005 0.000 0.197 514 E C 2.031 178.597 176.600 -0.057 0.000 1.004 514 E CA 2.121 58.593 56.400 0.119 0.000 0.805 514 E CB 0.076 29.892 29.700 0.194 0.000 0.744 514 E HN 0.489 nan 8.360 nan 0.000 0.451 515 A N 0.888 123.545 122.820 -0.272 0.000 2.024 515 A HA -0.179 4.144 4.320 0.005 0.000 0.220 515 A C 1.707 179.191 177.584 -0.167 0.000 1.164 515 A CA 1.540 53.197 52.037 -0.633 0.000 0.643 515 A CB -0.434 18.146 19.000 -0.699 0.000 0.806 515 A HN 0.268 nan 8.150 nan 0.000 0.451 516 N N -0.019 118.700 118.700 0.032 0.000 2.461 516 N HA 0.026 4.769 4.740 0.005 0.000 0.188 516 N C -0.473 175.068 175.510 0.052 0.000 1.134 516 N CA 0.440 53.538 53.050 0.080 0.000 0.878 516 N CB -0.198 38.362 38.487 0.121 0.000 0.972 516 N HN 0.584 nan 8.380 nan 0.000 0.456 517 Q N -1.066 118.755 119.800 0.035 0.000 2.453 517 Q HA -0.160 4.183 4.340 0.005 0.000 0.350 517 Q C -1.842 174.182 176.000 0.041 0.000 1.447 517 Q CA -0.194 55.632 55.803 0.039 0.000 0.968 517 Q CB -1.227 27.534 28.738 0.039 0.000 1.175 517 Q HN 0.276 nan 8.270 nan 0.000 0.354 518 P HA -0.260 nan 4.420 nan 0.000 0.218 518 P C 1.099 178.414 177.300 0.024 0.000 1.154 518 P CA 1.444 64.563 63.100 0.031 0.000 0.872 518 P CB 0.144 31.868 31.700 0.039 0.000 0.790 519 E N -0.426 119.791 120.200 0.029 0.000 2.072 519 E HA -0.227 4.126 4.350 0.005 0.000 0.191 519 E C 2.159 178.773 176.600 0.023 0.000 0.985 519 E CA 1.057 57.472 56.400 0.024 0.000 0.801 519 E CB -0.634 29.081 29.700 0.026 0.000 0.750 519 E HN 0.465 nan 8.360 nan 0.000 0.452 520 Q N 0.912 120.728 119.800 0.027 0.000 2.084 520 Q HA -0.166 4.177 4.340 0.005 0.000 0.202 520 Q C 2.355 178.370 176.000 0.026 0.000 0.978 520 Q CA 1.015 56.835 55.803 0.027 0.000 0.844 520 Q CB -0.137 28.621 28.738 0.033 0.000 0.898 520 Q HN 0.187 nan 8.270 nan 0.000 0.426 521 L N 0.840 122.079 121.223 0.026 0.000 2.042 521 L HA -0.122 4.221 4.340 0.005 0.000 0.210 521 L C 2.292 179.169 176.870 0.011 0.000 1.076 521 L CA 2.336 57.188 54.840 0.021 0.000 0.749 521 L CB -0.909 41.158 42.059 0.014 0.000 0.893 521 L HN 0.310 nan 8.230 nan 0.000 0.432 522 A N -0.657 122.168 122.820 0.008 0.000 1.933 522 A HA -0.076 4.247 4.320 0.005 0.000 0.218 522 A C 2.429 180.017 177.584 0.006 0.000 1.175 522 A CA 1.755 53.794 52.037 0.003 0.000 0.628 522 A CB -1.099 17.904 19.000 0.004 0.000 0.814 522 A HN 0.595 nan 8.150 nan 0.000 0.444 523 A N -0.628 122.198 122.820 0.010 0.000 1.898 523 A HA 0.065 4.388 4.320 0.005 0.000 0.216 523 A C 2.213 179.803 177.584 0.010 0.000 1.181 523 A CA 1.610 53.653 52.037 0.010 0.000 0.620 523 A CB -0.832 18.175 19.000 0.013 0.000 0.819 523 A HN 0.353 nan 8.150 nan 0.000 0.442 524 V N 0.296 120.218 119.914 0.014 0.000 2.295 524 V HA -0.256 3.867 4.120 0.005 0.000 0.246 524 V C 2.561 178.661 176.094 0.009 0.000 1.049 524 V CA 1.964 64.273 62.300 0.014 0.000 1.024 524 V CB -0.802 31.035 31.823 0.024 0.000 0.648 524 V HN 0.566 nan 8.190 nan 0.000 0.447 525 L N -0.165 121.062 121.223 0.006 0.000 2.083 525 L HA -0.209 4.134 4.340 0.005 0.000 0.209 525 L C 2.582 179.452 176.870 0.000 0.000 1.083 525 L CA 1.930 56.770 54.840 0.001 0.000 0.752 525 L CB -0.593 41.463 42.059 -0.005 0.000 0.899 525 L HN 0.448 nan 8.230 nan 0.000 0.433 526 E N -0.092 120.109 120.200 0.002 0.000 2.085 526 E HA -0.219 4.134 4.350 0.005 0.000 0.194 526 E C 1.978 178.580 176.600 0.003 0.000 0.994 526 E CA 1.930 58.331 56.400 0.003 0.000 0.801 526 E CB 0.095 29.797 29.700 0.004 0.000 0.743 526 E HN 0.366 nan 8.360 nan 0.000 0.453 527 T N 1.204 115.761 114.554 0.004 0.000 2.737 527 T HA -0.097 4.256 4.350 0.005 0.000 0.265 527 T C 1.865 176.565 174.700 0.001 0.000 1.038 527 T CA 1.156 63.257 62.100 0.003 0.000 1.144 527 T CB -0.171 68.700 68.868 0.003 0.000 0.866 527 T HN 0.153 nan 8.240 nan 0.000 0.434 528 L N 0.668 121.890 121.223 -0.002 0.000 2.083 528 L HA -0.092 4.251 4.340 0.005 0.000 0.209 528 L C 2.675 179.542 176.870 -0.005 0.000 1.083 528 L CA 1.394 56.228 54.840 -0.008 0.000 0.752 528 L CB -0.589 41.464 42.059 -0.011 0.000 0.899 528 L HN 0.334 nan 8.230 nan 0.000 0.433 529 E N 0.161 120.361 120.200 -0.000 0.000 2.153 529 E HA -0.197 4.156 4.350 0.005 0.000 0.194 529 E C 2.298 178.904 176.600 0.011 0.000 0.988 529 E CA 1.080 57.483 56.400 0.004 0.000 0.811 529 E CB -0.114 29.588 29.700 0.003 0.000 0.746 529 E HN 0.504 nan 8.360 nan 0.000 0.466 530 A N 0.946 123.772 122.820 0.010 0.000 1.929 530 A HA -0.129 4.194 4.320 0.005 0.000 0.216 530 A C 2.128 179.726 177.584 0.024 0.000 1.176 530 A CA 0.826 52.871 52.037 0.015 0.000 0.628 530 A CB -0.432 18.575 19.000 0.011 0.000 0.816 530 A HN 0.122 nan 8.150 nan 0.000 0.444 531 I N -0.861 119.720 120.570 0.019 0.000 2.179 531 I HA -0.269 3.904 4.170 0.005 0.000 0.242 531 I C 2.721 178.871 176.117 0.056 0.000 1.088 531 I CA 1.711 63.028 61.300 0.028 0.000 1.357 531 I CB -0.293 37.706 38.000 -0.002 0.000 1.051 531 I HN 0.374 nan 8.210 nan 0.000 0.409 532 R N 0.422 120.943 120.500 0.034 0.000 2.091 532 R HA -0.177 4.167 4.340 0.005 0.000 0.238 532 R C 2.249 178.608 176.300 0.099 0.000 1.136 532 R CA 2.164 58.299 56.100 0.058 0.000 0.959 532 R CB -0.319 29.994 30.300 0.022 0.000 0.856 532 R HN 0.259 nan 8.270 nan 0.000 0.437 533 T N 0.493 115.083 114.554 0.060 0.000 2.777 533 T HA -0.068 4.285 4.350 0.005 0.000 0.266 533 T C 1.757 176.488 174.700 0.051 0.000 1.040 533 T CA 1.308 63.435 62.100 0.045 0.000 1.141 533 T CB -0.222 68.661 68.868 0.025 0.000 0.868 533 T HN 0.470 nan 8.240 nan 0.000 0.444 534 A N 0.837 123.694 122.820 0.062 0.000 1.898 534 A HA -0.008 4.315 4.320 0.005 0.000 0.216 534 A C 2.011 179.638 177.584 0.071 0.000 1.181 534 A CA 1.279 53.348 52.037 0.053 0.000 0.620 534 A CB -0.926 18.107 19.000 0.054 0.000 0.819 534 A HN 0.502 nan 8.150 nan 0.000 0.442 535 F N 1.335 121.273 119.950 -0.020 0.000 2.102 535 F HA -0.174 4.355 4.527 0.004 0.000 0.298 535 F C 1.958 177.742 175.800 -0.027 0.000 1.105 535 F CA 2.053 60.040 58.000 -0.022 0.000 1.239 535 F CB -0.184 38.803 39.000 -0.023 0.000 0.991 535 F HN 0.195 nan 8.300 nan 0.000 0.474 536 N N 0.457 119.223 118.700 0.110 0.000 2.244 536 N HA -0.063 4.680 4.740 0.005 0.000 0.183 536 N C 2.018 177.472 175.510 -0.094 0.000 1.016 536 N CA 1.219 54.270 53.050 0.001 0.000 0.866 536 N CB -1.055 37.465 38.487 0.054 0.000 0.980 536 N HN 0.451 nan 8.380 nan 0.000 0.430 537 G N -0.204 108.558 108.800 -0.064 0.000 2.534 537 G HA2 -0.025 3.938 3.960 0.005 0.000 0.217 537 G HA3 -0.025 3.938 3.960 0.005 0.000 0.217 537 G C 1.295 176.134 174.900 -0.102 0.000 1.128 537 G CA 0.777 45.838 45.100 -0.065 0.000 0.784 537 G HN 0.403 nan 8.290 nan 0.000 0.542 538 A N -0.788 121.933 122.820 -0.165 0.000 2.238 538 A HA 0.328 4.651 4.320 0.005 0.000 0.210 538 A C 1.232 178.680 177.584 -0.227 0.000 1.179 538 A CA 0.132 52.060 52.037 -0.182 0.000 0.827 538 A CB 0.100 18.985 19.000 -0.192 0.000 0.856 538 A HN 0.273 nan 8.150 nan 0.000 0.488 539 Q N 0.458 120.098 119.800 -0.267 0.000 2.260 539 Q HA 0.451 4.794 4.340 0.005 0.000 0.242 539 Q C -0.346 175.573 176.000 -0.136 0.000 0.932 539 Q CA -0.038 55.617 55.803 -0.248 0.000 0.891 539 Q CB 0.846 29.419 28.738 -0.275 0.000 1.222 539 Q HN 0.188 nan 8.270 nan 0.000 0.453 540 R N -0.869 119.569 120.500 -0.104 0.000 2.873 540 R HA 0.574 4.917 4.340 0.005 0.000 0.264 540 R C 0.529 176.805 176.300 -0.040 0.000 1.026 540 R CA -0.226 55.837 56.100 -0.062 0.000 1.002 540 R CB 1.155 31.425 30.300 -0.049 0.000 1.174 540 R HN 0.850 nan 8.270 nan 0.000 0.488 541 G N -0.199 108.587 108.800 -0.023 0.000 2.148 541 G HA2 -0.238 3.725 3.960 0.005 0.000 0.254 541 G HA3 -0.238 3.725 3.960 0.005 0.000 0.254 541 G C 0.796 175.700 174.900 0.008 0.000 0.981 541 G CA 0.859 45.956 45.100 -0.005 0.000 0.670 541 G HN 1.295 nan 8.290 nan 0.000 0.528 542 G N -0.820 107.978 108.800 -0.004 0.000 2.199 542 G HA2 -0.275 3.688 3.960 0.005 0.000 0.254 542 G HA3 -0.275 3.688 3.960 0.005 0.000 0.254 542 G C 0.410 175.314 174.900 0.006 0.000 0.982 542 G CA 1.259 46.364 45.100 0.010 0.000 0.632 542 G HN 1.352 nan 8.290 nan 0.000 0.529 543 K N 1.298 121.701 120.400 0.006 0.000 2.489 543 K HA 0.345 4.668 4.320 0.005 0.000 0.278 543 K C 0.637 177.197 176.600 -0.067 0.000 1.000 543 K CA 0.855 57.154 56.287 0.020 0.000 1.012 543 K CB 0.045 32.575 32.500 0.050 0.000 0.903 543 K HN 0.712 nan 8.250 nan 0.000 0.485 544 Q N 1.144 120.841 119.800 -0.172 0.000 2.534 544 Q HA 0.458 4.801 4.340 0.005 0.000 0.290 544 Q C -1.782 174.192 176.000 -0.044 0.000 0.991 544 Q CA -1.139 54.580 55.803 -0.141 0.000 0.783 544 Q CB 1.787 30.329 28.738 -0.327 0.000 1.470 544 Q HN 0.327 nan 8.270 nan 0.000 0.406 545 V N 1.710 121.680 119.914 0.093 0.000 2.483 545 V HA 0.541 4.664 4.120 0.005 0.000 0.295 545 V C -0.301 175.819 176.094 0.042 0.000 1.035 545 V CA -0.062 62.273 62.300 0.060 0.000 0.896 545 V CB 1.850 33.624 31.823 -0.081 0.000 0.986 545 V HN 0.957 nan 8.190 nan 0.000 0.447 546 S N 5.731 121.481 115.700 0.083 0.000 2.603 546 S HA 0.202 4.675 4.470 0.005 0.000 0.268 546 S C 0.870 175.492 174.600 0.037 0.000 1.317 546 S CA -0.239 58.003 58.200 0.069 0.000 1.012 546 S CB 1.282 64.539 63.200 0.095 0.000 0.926 546 S HN 0.827 nan 8.310 nan 0.000 0.539 547 L N 2.046 123.284 121.223 0.025 0.000 2.131 547 L HA 0.063 4.406 4.340 0.005 0.000 0.210 547 L C 2.576 179.456 176.870 0.016 0.000 1.092 547 L CA 2.183 57.030 54.840 0.010 0.000 0.759 547 L CB -1.406 40.656 42.059 0.004 0.000 0.903 547 L HN 0.964 nan 8.230 nan 0.000 0.435 548 A N -0.915 121.920 122.820 0.025 0.000 1.902 548 A HA -0.229 4.094 4.320 0.005 0.000 0.217 548 A C 2.040 179.660 177.584 0.059 0.000 1.181 548 A CA 1.953 54.006 52.037 0.026 0.000 0.623 548 A CB -0.756 18.255 19.000 0.017 0.000 0.818 548 A HN 0.482 nan 8.150 nan 0.000 0.443 549 D N -0.627 119.830 120.400 0.095 0.000 2.117 549 D HA -0.104 4.539 4.640 0.005 0.000 0.198 549 D C 1.839 178.212 176.300 0.121 0.000 0.982 549 D CA 1.110 55.238 54.000 0.213 0.000 0.828 549 D CB -0.338 40.625 40.800 0.272 0.000 0.967 549 D HN 0.314 nan 8.370 nan 0.000 0.464 550 L N 0.762 121.992 121.223 0.011 0.000 2.083 550 L HA -0.064 4.279 4.340 0.005 0.000 0.209 550 L C 2.094 178.933 176.870 -0.053 0.000 1.083 550 L CA 1.149 55.942 54.840 -0.079 0.000 0.752 550 L CB -0.440 41.569 42.059 -0.084 0.000 0.899 550 L HN -0.005 nan 8.230 nan 0.000 0.433 551 I N -1.699 118.869 120.570 -0.002 0.000 2.163 551 I HA -0.324 3.849 4.170 0.005 0.000 0.243 551 I C 2.308 178.455 176.117 0.050 0.000 1.085 551 I CA 1.456 62.767 61.300 0.019 0.000 1.347 551 I CB -0.416 37.597 38.000 0.020 0.000 1.044 551 I HN 0.063 nan 8.210 nan 0.000 0.408 552 V N 0.436 120.396 119.914 0.077 0.000 2.295 552 V HA -0.269 3.854 4.120 0.005 0.000 0.246 552 V C 2.359 178.519 176.094 0.109 0.000 1.049 552 V CA 1.624 64.008 62.300 0.140 0.000 1.024 552 V CB -0.590 31.362 31.823 0.215 0.000 0.648 552 V HN 0.356 nan 8.190 nan 0.000 0.447 553 L N 0.962 122.100 121.223 -0.143 0.000 2.042 553 L HA -0.112 4.231 4.340 0.005 0.000 0.210 553 L C 2.445 179.197 176.870 -0.197 0.000 1.076 553 L CA 2.363 56.897 54.840 -0.509 0.000 0.749 553 L CB -0.962 40.544 42.059 -0.922 0.000 0.893 553 L HN 0.235 nan 8.230 nan 0.000 0.432 554 A N -0.707 122.050 122.820 -0.105 0.000 1.933 554 A HA -0.066 4.257 4.320 0.005 0.000 0.218 554 A C 2.346 179.954 177.584 0.039 0.000 1.175 554 A CA 1.482 53.494 52.037 -0.041 0.000 0.628 554 A CB -1.519 17.466 19.000 -0.025 0.000 0.814 554 A HN 0.525 nan 8.150 nan 0.000 0.444 555 G N -0.799 108.087 108.800 0.144 0.000 2.418 555 G HA2 -0.263 3.700 3.960 0.005 0.000 0.217 555 G HA3 -0.263 3.700 3.960 0.005 0.000 0.217 555 G C 1.567 176.618 174.900 0.253 0.000 1.158 555 G CA 1.320 46.601 45.100 0.301 0.000 0.771 555 G HN 0.531 nan 8.290 nan 0.000 0.545 556 C N 0.990 120.462 119.300 0.286 0.000 2.425 556 C HA 0.157 4.620 4.460 0.005 0.000 0.277 556 C C 3.527 178.528 174.990 0.018 0.000 1.280 556 C CA 0.741 59.875 59.018 0.193 0.000 1.744 556 C CB -1.007 26.858 27.740 0.208 0.000 1.989 556 C HN 0.568 nan 8.230 nan 0.000 0.491 557 A N 0.959 123.771 122.820 -0.014 0.000 1.933 557 A HA 0.075 4.398 4.320 0.005 0.000 0.218 557 A C 2.413 179.967 177.584 -0.050 0.000 1.175 557 A CA 2.042 54.054 52.037 -0.041 0.000 0.628 557 A CB -1.213 17.755 19.000 -0.054 0.000 0.814 557 A HN 0.547 nan 8.150 nan 0.000 0.444 558 G N -0.503 108.267 108.800 -0.051 0.000 2.418 558 G HA2 -0.132 3.831 3.960 0.005 0.000 0.217 558 G HA3 -0.132 3.831 3.960 0.005 0.000 0.217 558 G C 1.502 176.315 174.900 -0.145 0.000 1.158 558 G CA 1.292 46.343 45.100 -0.081 0.000 0.771 558 G HN 0.325 nan 8.290 nan 0.000 0.545 559 V N 0.793 120.574 119.914 -0.221 0.000 2.358 559 V HA -0.166 3.957 4.120 0.005 0.000 0.246 559 V C 2.675 178.680 176.094 -0.149 0.000 1.047 559 V CA 2.175 64.310 62.300 -0.275 0.000 1.035 559 V CB -0.533 31.020 31.823 -0.450 0.000 0.658 559 V HN 0.481 nan 8.190 nan 0.000 0.452 560 E N -0.110 120.035 120.200 -0.091 0.000 2.058 560 E HA -0.329 4.024 4.350 0.005 0.000 0.194 560 E C 2.259 178.835 176.600 -0.040 0.000 0.997 560 E CA 1.596 57.969 56.400 -0.046 0.000 0.801 560 E CB -0.186 29.501 29.700 -0.023 0.000 0.746 560 E HN 0.529 nan 8.360 nan 0.000 0.450 561 Q N 0.944 120.715 119.800 -0.049 0.000 2.084 561 Q HA -0.133 4.210 4.340 0.005 0.000 0.202 561 Q C 1.949 177.923 176.000 -0.044 0.000 0.978 561 Q CA 1.836 57.616 55.803 -0.038 0.000 0.844 561 Q CB -0.332 28.383 28.738 -0.039 0.000 0.898 561 Q HN 0.252 nan 8.270 nan 0.000 0.426 562 A N 0.267 123.041 122.820 -0.077 0.000 1.902 562 A HA -0.063 4.260 4.320 0.005 0.000 0.217 562 A C 2.298 179.846 177.584 -0.060 0.000 1.181 562 A CA 1.890 53.874 52.037 -0.088 0.000 0.623 562 A CB -1.190 17.716 19.000 -0.156 0.000 0.818 562 A HN 0.534 nan 8.150 nan 0.000 0.443 563 A N -0.221 122.564 122.820 -0.057 0.000 1.902 563 A HA -0.177 4.146 4.320 0.005 0.000 0.217 563 A C 2.141 179.765 177.584 0.067 0.000 1.181 563 A CA 1.997 54.031 52.037 -0.005 0.000 0.623 563 A CB -0.475 18.521 19.000 -0.006 0.000 0.818 563 A HN 0.558 nan 8.150 nan 0.000 0.443 564 K N -0.308 120.113 120.400 0.036 0.000 2.063 564 K HA -0.206 4.117 4.320 0.005 0.000 0.208 564 K C 1.522 178.144 176.600 0.036 0.000 1.048 564 K CA 1.615 57.925 56.287 0.039 0.000 0.928 564 K CB -0.242 32.268 32.500 0.016 0.000 0.713 564 K HN 0.412 nan 8.250 nan 0.000 0.442 565 N N 0.539 119.251 118.700 0.020 0.000 2.272 565 N HA -0.150 4.593 4.740 0.005 0.000 0.185 565 N C 1.149 176.682 175.510 0.039 0.000 1.014 565 N CA 1.298 54.358 53.050 0.017 0.000 0.870 565 N CB -0.152 38.333 38.487 -0.002 0.000 0.975 565 N HN 0.293 nan 8.380 nan 0.000 0.433 566 A N -0.500 122.367 122.820 0.078 0.000 2.345 566 A HA 0.479 4.802 4.320 0.005 0.000 0.225 566 A C 1.285 178.978 177.584 0.181 0.000 1.243 566 A CA 0.447 52.569 52.037 0.142 0.000 0.875 566 A CB -0.245 18.866 19.000 0.184 0.000 0.929 566 A HN 0.244 nan 8.150 nan 0.000 0.502 567 G N -0.262 108.595 108.800 0.094 0.000 2.182 567 G HA2 -0.205 3.758 3.960 0.005 0.000 0.248 567 G HA3 -0.205 3.758 3.960 0.005 0.000 0.248 567 G C -0.143 174.689 174.900 -0.112 0.000 1.042 567 G CA 0.307 45.402 45.100 -0.008 0.000 0.775 567 G HN 0.721 nan 8.290 nan 0.000 0.501 568 H N -0.600 118.479 119.070 0.015 0.000 2.524 568 H HA 0.623 5.182 4.556 0.005 0.000 0.353 568 H C 0.182 175.517 175.328 0.012 0.000 1.136 568 H CA -0.052 56.007 56.048 0.019 0.000 1.193 568 H CB 2.081 31.860 29.762 0.028 0.000 1.558 568 H HN 0.483 nan 8.280 nan 0.000 0.515 569 A N 3.581 126.469 122.820 0.115 0.000 2.366 569 A HA 0.473 4.797 4.320 0.005 0.000 0.322 569 A C -0.430 177.201 177.584 0.077 0.000 1.397 569 A CA -0.455 51.624 52.037 0.071 0.000 0.984 569 A CB -0.278 18.747 19.000 0.041 0.000 1.149 569 A HN 0.342 nan 8.150 nan 0.000 0.540 570 V N 2.642 122.595 119.914 0.064 0.000 2.638 570 V HA 0.587 4.710 4.120 0.005 0.000 0.306 570 V C 0.184 176.300 176.094 0.036 0.000 1.052 570 V CA -0.406 61.924 62.300 0.051 0.000 0.885 570 V CB 2.213 34.061 31.823 0.041 0.000 0.999 570 V HN 0.923 nan 8.190 nan 0.000 0.424 571 T N 1.506 116.083 114.554 0.039 0.000 2.794 571 T HA 0.755 5.108 4.350 0.005 0.000 0.280 571 T C -0.592 174.139 174.700 0.053 0.000 0.987 571 T CA -0.695 61.430 62.100 0.041 0.000 0.993 571 T CB 1.574 70.466 68.868 0.041 0.000 0.939 571 T HN 0.301 nan 8.240 nan 0.000 0.449 572 V N 5.410 125.363 119.914 0.066 0.000 2.394 572 V HA 0.434 4.557 4.120 0.005 0.000 0.282 572 V C -1.867 174.306 176.094 0.132 0.000 1.031 572 V CA -1.847 60.515 62.300 0.103 0.000 0.881 572 V CB 1.007 32.904 31.823 0.123 0.000 0.982 572 V HN 0.849 nan 8.190 nan 0.000 0.451 573 P HA 0.293 nan 4.420 nan 0.000 0.269 573 P C -1.073 176.350 177.300 0.205 0.000 1.215 573 P CA -0.062 63.109 63.100 0.119 0.000 0.780 573 P CB 0.497 32.231 31.700 0.057 0.000 0.898 574 F N 0.517 120.471 119.950 0.007 0.000 2.588 574 F HA 0.589 5.118 4.527 0.004 0.000 0.314 574 F C -1.640 174.145 175.800 -0.024 0.000 1.134 574 F CA -0.837 57.160 58.000 -0.006 0.000 0.961 574 F CB 1.554 40.557 39.000 0.005 0.000 1.239 574 F HN 0.429 nan 8.300 nan 0.000 0.448 575 A N 7.874 130.115 122.820 -0.965 0.000 2.291 575 A HA 0.755 5.078 4.320 0.005 0.000 0.311 575 A C -2.813 174.108 177.584 -1.105 0.000 1.224 575 A CA -1.663 49.916 52.037 -0.763 0.000 0.821 575 A CB 0.416 19.159 19.000 -0.428 0.000 1.172 575 A HN 0.482 nan 8.150 nan 0.000 0.494 576 P HA 0.457 nan 4.420 nan 0.000 0.275 576 P C 0.751 177.931 177.300 -0.200 0.000 1.266 576 P CA 0.962 63.863 63.100 -0.333 0.000 0.793 576 P CB 1.003 32.726 31.700 0.039 0.000 1.074 577 G N -0.949 107.805 108.800 -0.076 0.000 2.227 577 G HA2 -0.138 3.825 3.960 0.005 0.000 0.168 577 G HA3 -0.138 3.825 3.960 0.005 0.000 0.168 577 G C 0.173 175.039 174.900 -0.056 0.000 1.006 577 G CA -0.537 44.522 45.100 -0.069 0.000 0.684 577 G HN 0.529 nan 8.290 nan 0.000 0.489 578 R N 0.697 121.172 120.500 -0.041 0.000 2.694 578 R HA 0.594 4.937 4.340 0.005 0.000 0.268 578 R C 0.552 176.861 176.300 0.014 0.000 1.061 578 R CA 0.729 56.816 56.100 -0.021 0.000 1.133 578 R CB 0.748 31.040 30.300 -0.013 0.000 1.020 578 R HN 0.528 nan 8.270 nan 0.000 0.475 579 A N 1.519 124.343 122.820 0.007 0.000 2.346 579 A HA 0.407 4.730 4.320 0.005 0.000 0.313 579 A C -1.165 176.432 177.584 0.021 0.000 1.140 579 A CA -0.920 51.133 52.037 0.027 0.000 0.826 579 A CB 1.182 20.187 19.000 0.008 0.000 1.332 579 A HN 0.609 nan 8.150 nan 0.000 0.457 580 D N 1.118 121.534 120.400 0.028 0.000 2.280 580 D HA 0.528 5.171 4.640 0.005 0.000 0.236 580 D C 0.110 176.414 176.300 0.005 0.000 1.082 580 D CA 0.318 54.326 54.000 0.014 0.000 0.834 580 D CB 1.690 42.501 40.800 0.018 0.000 1.100 580 D HN 0.699 nan 8.370 nan 0.000 0.486 581 A N 1.926 124.744 122.820 -0.004 0.000 2.322 581 A HA 0.528 4.851 4.320 0.005 0.000 0.269 581 A C 0.666 178.245 177.584 -0.010 0.000 1.094 581 A CA -0.516 51.515 52.037 -0.009 0.000 0.807 581 A CB 0.461 19.453 19.000 -0.013 0.000 1.047 581 A HN 0.528 nan 8.150 nan 0.000 0.487 582 S N 0.432 116.127 115.700 -0.009 0.000 2.669 582 S HA 0.279 4.752 4.470 0.005 0.000 0.270 582 S C 0.855 175.449 174.600 -0.010 0.000 1.225 582 S CA 0.029 58.224 58.200 -0.008 0.000 0.991 582 S CB 1.043 64.240 63.200 -0.004 0.000 0.987 582 S HN 0.733 nan 8.310 nan 0.000 0.552 583 Q N 0.532 120.326 119.800 -0.010 0.000 2.124 583 Q HA -0.117 4.226 4.340 0.005 0.000 0.202 583 Q C 1.530 177.529 176.000 -0.000 0.000 0.977 583 Q CA 2.021 57.818 55.803 -0.010 0.000 0.850 583 Q CB -0.541 28.192 28.738 -0.009 0.000 0.901 583 Q HN 0.857 nan 8.270 nan 0.000 0.429 584 E N -0.158 120.043 120.200 0.002 0.000 2.268 584 E HA -0.118 4.235 4.350 0.005 0.000 0.195 584 E C 1.135 177.739 176.600 0.008 0.000 0.995 584 E CA 0.806 57.211 56.400 0.008 0.000 0.836 584 E CB 0.054 29.759 29.700 0.008 0.000 0.763 584 E HN 0.487 nan 8.360 nan 0.000 0.491 585 Q N -0.261 119.539 119.800 0.000 0.000 2.322 585 Q HA 0.117 4.460 4.340 0.005 0.000 0.203 585 Q C -0.439 175.563 176.000 0.002 0.000 0.923 585 Q CA 0.371 56.171 55.803 -0.005 0.000 0.949 585 Q CB 0.676 29.405 28.738 -0.015 0.000 1.039 585 Q HN -0.035 nan 8.270 nan 0.000 0.496 586 T N 0.874 115.434 114.554 0.011 0.000 2.963 586 T HA 0.056 4.409 4.350 0.005 0.000 0.328 586 T C -1.099 173.622 174.700 0.035 0.000 1.048 586 T CA -0.747 61.363 62.100 0.017 0.000 1.033 586 T CB 0.946 69.811 68.868 -0.003 0.000 1.010 586 T HN 0.021 nan 8.240 nan 0.000 0.469 587 D N 3.260 123.696 120.400 0.060 0.000 2.346 587 D HA 0.065 4.708 4.640 0.005 0.000 0.260 587 D C 1.202 177.553 176.300 0.084 0.000 1.252 587 D CA -0.165 53.883 54.000 0.080 0.000 0.895 587 D CB 1.066 41.934 40.800 0.113 0.000 1.097 587 D HN 0.185 nan 8.370 nan 0.000 0.489 588 V N 4.649 124.606 119.914 0.072 0.000 2.427 588 V HA -0.170 3.953 4.120 0.005 0.000 0.248 588 V C 2.167 178.327 176.094 0.111 0.000 1.051 588 V CA 1.332 63.678 62.300 0.077 0.000 1.048 588 V CB -0.245 31.612 31.823 0.057 0.000 0.666 588 V HN 0.555 nan 8.190 nan 0.000 0.456 589 E N -0.245 120.019 120.200 0.106 0.000 2.106 589 E HA -0.160 4.193 4.350 0.005 0.000 0.192 589 E C 2.418 179.094 176.600 0.126 0.000 0.984 589 E CA 1.447 57.915 56.400 0.113 0.000 0.806 589 E CB -0.550 29.209 29.700 0.098 0.000 0.750 589 E HN 0.525 nan 8.360 nan 0.000 0.458 590 S N 0.571 116.350 115.700 0.132 0.000 2.402 590 S HA -0.130 4.343 4.470 0.005 0.000 0.229 590 S C 1.861 176.554 174.600 0.156 0.000 1.021 590 S CA 0.978 59.264 58.200 0.144 0.000 0.974 590 S CB -0.069 63.228 63.200 0.162 0.000 0.800 590 S HN 0.095 nan 8.310 nan 0.000 0.484 591 M N 1.613 121.314 119.600 0.169 0.000 2.476 591 M HA 0.269 4.752 4.480 0.005 0.000 0.262 591 M C 1.774 178.275 176.300 0.335 0.000 1.079 591 M CA 1.067 56.504 55.300 0.228 0.000 1.104 591 M CB -0.723 31.986 32.600 0.182 0.000 1.409 591 M HN 0.316 nan 8.290 nan 0.000 0.467 592 A N -0.401 122.576 122.820 0.261 0.000 1.978 592 A HA -0.123 4.200 4.320 0.005 0.000 0.220 592 A C 2.004 179.634 177.584 0.076 0.000 1.170 592 A CA 1.952 54.124 52.037 0.224 0.000 0.636 592 A CB -1.507 17.586 19.000 0.155 0.000 0.810 592 A HN 0.624 nan 8.150 nan 0.000 0.448 593 V N -2.639 117.315 119.914 0.066 0.000 3.305 593 V HA 0.026 4.149 4.120 0.005 0.000 0.269 593 V C 1.722 177.788 176.094 -0.047 0.000 1.157 593 V CA 1.405 63.699 62.300 -0.010 0.000 1.157 593 V CB -0.822 31.000 31.823 -0.002 0.000 0.772 593 V HN 0.443 nan 8.190 nan 0.000 0.498 594 L N 0.255 121.486 121.223 0.014 0.000 2.592 594 L HA 0.279 4.622 4.340 0.005 0.000 0.227 594 L C 1.296 177.971 176.870 -0.324 0.000 1.127 594 L CA 0.200 55.034 54.840 -0.010 0.000 0.884 594 L CB -0.204 41.973 42.059 0.197 0.000 1.065 594 L HN 0.411 nan 8.230 nan 0.000 0.457 595 E N 2.932 122.684 120.200 -0.746 0.000 2.417 595 E HA 0.049 4.402 4.350 0.005 0.000 0.261 595 E C -2.143 174.065 176.600 -0.654 0.000 1.000 595 E CA -1.703 53.788 56.400 -1.514 0.000 0.919 595 E CB 0.721 29.517 29.700 -1.507 0.000 0.955 595 E HN -0.025 nan 8.360 nan 0.000 0.455 596 P HA -0.011 nan 4.420 nan 0.000 0.281 596 P C 0.358 177.672 177.300 0.023 0.000 1.286 596 P CA -0.154 62.876 63.100 -0.115 0.000 0.772 596 P CB 1.084 32.794 31.700 0.017 0.000 0.862 597 V N 0.949 120.880 119.914 0.028 0.000 3.590 597 V HA 0.540 4.663 4.120 0.005 0.000 0.265 597 V C 0.575 176.769 176.094 0.165 0.000 1.239 597 V CA 0.600 62.983 62.300 0.138 0.000 1.117 597 V CB -0.573 31.269 31.823 0.033 0.000 0.818 597 V HN 0.434 nan 8.190 nan 0.000 0.451 598 A N 0.550 123.448 122.820 0.130 0.000 2.381 598 A HA 0.742 5.065 4.320 0.005 0.000 0.299 598 A C -1.529 176.182 177.584 0.212 0.000 1.049 598 A CA -0.144 51.980 52.037 0.145 0.000 0.715 598 A CB 1.655 20.689 19.000 0.057 0.000 1.222 598 A HN 0.291 nan 8.150 nan 0.000 0.428 599 D N 2.111 122.690 120.400 0.299 0.000 2.328 599 D HA 0.377 5.020 4.640 0.005 0.000 0.243 599 D C 1.150 177.598 176.300 0.246 0.000 1.324 599 D CA 0.387 54.585 54.000 0.330 0.000 0.966 599 D CB 0.940 42.002 40.800 0.436 0.000 1.324 599 D HN 0.525 nan 8.370 nan 0.000 0.549 600 G N 1.410 110.246 108.800 0.060 0.000 2.462 600 G HA2 -0.241 3.722 3.960 0.005 0.000 0.220 600 G HA3 -0.241 3.722 3.960 0.005 0.000 0.220 600 G C 1.205 176.005 174.900 -0.167 0.000 1.121 600 G CA 0.410 45.448 45.100 -0.103 0.000 0.758 600 G HN 0.500 nan 8.290 nan 0.000 0.559 601 F N 0.158 120.154 119.950 0.076 0.000 2.451 601 F HA 0.136 4.665 4.527 0.004 0.000 0.299 601 F C 2.552 178.235 175.800 -0.195 0.000 1.101 601 F CA 0.729 58.656 58.000 -0.121 0.000 1.436 601 F CB 0.237 39.120 39.000 -0.195 0.000 1.074 601 F HN 0.010 nan 8.300 nan 0.000 0.553 602 R N -0.336 120.252 120.500 0.147 0.000 2.577 602 R HA 0.106 4.449 4.340 0.005 0.000 0.344 602 R C 0.013 176.395 176.300 0.137 0.000 1.037 602 R CA -0.200 55.966 56.100 0.111 0.000 1.102 602 R CB -0.067 30.358 30.300 0.208 0.000 1.313 602 R HN -0.051 nan 8.270 nan 0.000 0.561 603 N N 1.140 119.901 118.700 0.102 0.000 2.714 603 N HA -0.276 4.467 4.740 0.005 0.000 0.252 603 N C -1.562 174.071 175.510 0.206 0.000 1.014 603 N CA 0.963 54.083 53.050 0.117 0.000 0.735 603 N CB -0.938 37.607 38.487 0.097 0.000 0.924 603 N HN 0.365 nan 8.380 nan 0.000 0.540 604 Y N 0.027 120.380 120.300 0.088 0.000 2.364 604 Y HA 0.660 5.214 4.550 0.006 0.000 0.340 604 Y C -0.666 175.295 175.900 0.102 0.000 0.975 604 Y CA -0.837 57.323 58.100 0.101 0.000 1.089 604 Y CB 0.990 39.523 38.460 0.122 0.000 1.192 604 Y HN 0.107 nan 8.280 nan 0.000 0.454 605 L N 7.117 127.993 121.223 -0.578 0.000 2.409 605 L HA 0.433 4.776 4.340 0.005 0.000 0.272 605 L C 0.723 177.134 176.870 -0.766 0.000 0.980 605 L CA -0.677 53.867 54.840 -0.493 0.000 0.826 605 L CB 2.208 44.139 42.059 -0.212 0.000 1.268 605 L HN 0.679 nan 8.230 nan 0.000 0.407 606 K N 1.539 121.621 120.400 -0.530 0.000 2.155 606 K HA 0.142 4.465 4.320 0.005 0.000 0.203 606 K C 0.640 177.101 176.600 -0.231 0.000 1.052 606 K CA 1.007 57.111 56.287 -0.306 0.000 0.948 606 K CB 0.348 32.881 32.500 0.055 0.000 0.728 606 K HN 0.841 nan 8.250 nan 0.000 0.448 607 G N -0.280 108.259 108.800 -0.436 0.000 2.782 607 G HA2 0.315 4.278 3.960 0.005 0.000 0.304 607 G HA3 0.315 4.278 3.960 0.005 0.000 0.304 607 G C -1.697 172.656 174.900 -0.910 0.000 1.315 607 G CA -0.800 43.965 45.100 -0.557 0.000 0.791 607 G HN -0.048 nan 8.290 nan 0.000 0.519 608 K N 0.158 120.174 120.400 -0.641 0.000 2.276 608 K HA 0.561 4.884 4.320 0.005 0.000 0.285 608 K C -1.315 174.975 176.600 -0.517 0.000 1.062 608 K CA -0.049 55.940 56.287 -0.496 0.000 0.918 608 K CB 0.449 32.810 32.500 -0.233 0.000 1.055 608 K HN 0.442 nan 8.250 nan 0.000 0.477 609 Y N 1.083 121.350 120.300 -0.054 0.000 2.587 609 Y HA 0.354 4.906 4.550 0.004 0.000 0.337 609 Y C 1.402 177.271 175.900 -0.051 0.000 1.065 609 Y CA -1.166 56.901 58.100 -0.055 0.000 1.126 609 Y CB 1.624 40.044 38.460 -0.068 0.000 1.279 609 Y HN 0.419 nan 8.280 nan 0.000 0.489 610 R N 0.173 120.752 120.500 0.131 0.000 2.092 610 R HA 0.007 4.350 4.340 0.005 0.000 0.231 610 R C -0.176 176.136 176.300 0.020 0.000 1.119 610 R CA 0.657 56.783 56.100 0.044 0.000 0.970 610 R CB -0.135 30.175 30.300 0.016 0.000 0.864 610 R HN 0.291 nan 8.270 nan 0.000 0.440 611 V N 3.919 123.839 119.914 0.011 0.000 2.508 611 V HA 0.102 4.226 4.120 0.005 0.000 0.281 611 V C -2.033 174.062 176.094 0.002 0.000 1.041 611 V CA -1.587 60.690 62.300 -0.038 0.000 1.016 611 V CB 0.950 32.705 31.823 -0.114 0.000 0.984 611 V HN 0.089 nan 8.190 nan 0.000 0.478 612 P HA 0.140 nan 4.420 nan 0.000 0.269 612 P C 0.593 177.889 177.300 -0.007 0.000 1.209 612 P CA -0.053 63.047 63.100 0.001 0.000 0.776 612 P CB 0.767 32.464 31.700 -0.007 0.000 0.876 613 A N 3.525 126.350 122.820 0.009 0.000 1.978 613 A HA -0.208 4.115 4.320 0.005 0.000 0.220 613 A C 1.857 179.417 177.584 -0.040 0.000 1.170 613 A CA 1.572 53.612 52.037 0.004 0.000 0.636 613 A CB -0.919 18.090 19.000 0.015 0.000 0.810 613 A HN 0.692 nan 8.150 nan 0.000 0.448 614 E N 0.307 120.470 120.200 -0.062 0.000 2.150 614 E HA -0.102 4.251 4.350 0.005 0.000 0.193 614 E C 1.818 178.345 176.600 -0.122 0.000 0.985 614 E CA 1.502 57.832 56.400 -0.117 0.000 0.814 614 E CB -0.870 28.740 29.700 -0.150 0.000 0.752 614 E HN 0.340 nan 8.360 nan 0.000 0.466 615 V N 1.936 121.794 119.914 -0.093 0.000 2.407 615 V HA -0.222 3.901 4.120 0.005 0.000 0.248 615 V C 2.651 178.687 176.094 -0.097 0.000 1.055 615 V CA 1.434 63.676 62.300 -0.097 0.000 1.049 615 V CB -0.552 31.217 31.823 -0.090 0.000 0.662 615 V HN 0.202 nan 8.190 nan 0.000 0.455 616 L N -0.682 120.491 121.223 -0.082 0.000 2.141 616 L HA -0.144 4.199 4.340 0.005 0.000 0.209 616 L C 2.409 179.244 176.870 -0.058 0.000 1.094 616 L CA 1.009 55.804 54.840 -0.076 0.000 0.763 616 L CB -0.547 41.478 42.059 -0.057 0.000 0.908 616 L HN 0.360 nan 8.230 nan 0.000 0.437 617 L N -0.484 120.690 121.223 -0.082 0.000 2.027 617 L HA -0.124 4.219 4.340 0.005 0.000 0.206 617 L C 2.335 179.162 176.870 -0.072 0.000 1.074 617 L CA 1.647 56.416 54.840 -0.118 0.000 0.745 617 L CB -0.372 41.575 42.059 -0.188 0.000 0.898 617 L HN -0.106 nan 8.230 nan 0.000 0.433 618 V N 0.215 120.077 119.914 -0.087 0.000 2.515 618 V HA -0.283 3.840 4.120 0.005 0.000 0.250 618 V C 2.310 178.384 176.094 -0.034 0.000 1.058 618 V CA 1.844 64.106 62.300 -0.064 0.000 1.064 618 V CB -0.822 30.933 31.823 -0.114 0.000 0.675 618 V HN 0.635 nan 8.190 nan 0.000 0.461 619 D N 0.401 120.772 120.400 -0.049 0.000 2.104 619 D HA -0.259 4.384 4.640 0.005 0.000 0.194 619 D C 2.116 178.418 176.300 0.003 0.000 0.994 619 D CA 1.699 55.671 54.000 -0.047 0.000 0.830 619 D CB -0.106 40.647 40.800 -0.079 0.000 0.959 619 D HN 0.290 nan 8.370 nan 0.000 0.452 620 K N 0.399 120.831 120.400 0.054 0.000 2.057 620 K HA 0.015 4.338 4.320 0.005 0.000 0.207 620 K C 1.901 178.637 176.600 0.227 0.000 1.049 620 K CA 1.580 57.955 56.287 0.147 0.000 0.931 620 K CB -0.787 31.851 32.500 0.229 0.000 0.714 620 K HN 0.144 nan 8.250 nan 0.000 0.440 621 A N 0.828 123.813 122.820 0.274 0.000 1.940 621 A HA -0.227 4.096 4.320 0.005 0.000 0.219 621 A C 2.239 179.900 177.584 0.128 0.000 1.176 621 A CA 1.791 54.000 52.037 0.286 0.000 0.631 621 A CB -0.668 18.505 19.000 0.289 0.000 0.814 621 A HN 0.515 nan 8.150 nan 0.000 0.446 622 Q N -0.247 119.587 119.800 0.056 0.000 2.079 622 Q HA -0.073 4.270 4.340 0.005 0.000 0.200 622 Q C 2.059 178.065 176.000 0.010 0.000 0.974 622 Q CA 1.341 57.143 55.803 -0.002 0.000 0.840 622 Q CB -0.233 28.475 28.738 -0.050 0.000 0.898 622 Q HN 0.725 nan 8.270 nan 0.000 0.430 623 L N 0.286 121.522 121.223 0.020 0.000 2.141 623 L HA -0.144 4.199 4.340 0.005 0.000 0.209 623 L C 2.268 179.183 176.870 0.074 0.000 1.094 623 L CA 0.635 55.481 54.840 0.010 0.000 0.763 623 L CB -0.263 41.787 42.059 -0.014 0.000 0.908 623 L HN 0.178 nan 8.230 nan 0.000 0.437 624 L N -0.161 121.124 121.223 0.104 0.000 2.610 624 L HA -0.041 4.302 4.340 0.005 0.000 0.232 624 L C 1.222 178.157 176.870 0.109 0.000 1.149 624 L CA 0.765 55.678 54.840 0.121 0.000 0.872 624 L CB -0.698 41.392 42.059 0.051 0.000 0.992 624 L HN 0.573 nan 8.230 nan 0.000 0.447 625 T N -3.383 111.231 114.554 0.099 0.000 4.458 625 T HA -0.235 4.118 4.350 0.005 0.000 0.317 625 T C 0.025 174.761 174.700 0.060 0.000 0.916 625 T CA 0.492 62.639 62.100 0.079 0.000 2.068 625 T CB -2.661 66.275 68.868 0.112 0.000 1.908 625 T HN 0.193 nan 8.240 nan 0.000 0.934 626 L N 1.930 123.193 121.223 0.066 0.000 2.375 626 L HA 0.636 4.979 4.340 0.005 0.000 0.271 626 L C 1.396 178.322 176.870 0.093 0.000 1.107 626 L CA -0.466 54.422 54.840 0.080 0.000 0.806 626 L CB 1.321 43.447 42.059 0.112 0.000 1.146 626 L HN 0.568 nan 8.230 nan 0.000 0.447 627 S N 1.355 117.137 115.700 0.136 0.000 2.634 627 S HA 0.368 4.841 4.470 0.005 0.000 0.261 627 S C 1.065 175.812 174.600 0.245 0.000 1.271 627 S CA -0.151 58.183 58.200 0.224 0.000 0.985 627 S CB 1.435 64.814 63.200 0.298 0.000 0.968 627 S HN 0.688 nan 8.310 nan 0.000 0.568 628 A N 0.941 124.016 122.820 0.425 0.000 1.902 628 A HA 0.098 4.421 4.320 0.005 0.000 0.217 628 A C -0.369 177.399 177.584 0.307 0.000 1.181 628 A CA 1.422 53.655 52.037 0.327 0.000 0.623 628 A CB -2.190 17.024 19.000 0.357 0.000 0.818 628 A HN 0.723 nan 8.150 nan 0.000 0.443 629 P HA -0.158 nan 4.420 nan 0.000 0.215 629 P C 1.160 178.588 177.300 0.214 0.000 1.153 629 P CA 1.536 64.798 63.100 0.269 0.000 0.853 629 P CB -0.078 31.756 31.700 0.224 0.000 0.788 630 E N -0.956 119.350 120.200 0.175 0.000 2.077 630 E HA -0.183 4.170 4.350 0.005 0.000 0.193 630 E C 2.014 178.698 176.600 0.140 0.000 0.989 630 E CA 1.029 57.494 56.400 0.108 0.000 0.800 630 E CB -0.549 29.200 29.700 0.081 0.000 0.746 630 E HN 0.223 nan 8.360 nan 0.000 0.452 631 M N 0.727 120.467 119.600 0.235 0.000 2.117 631 M HA -0.180 4.303 4.480 0.005 0.000 0.262 631 M C 1.997 178.506 176.300 0.348 0.000 1.065 631 M CA 1.611 57.142 55.300 0.385 0.000 1.114 631 M CB -0.126 32.715 32.600 0.401 0.000 1.361 631 M HN -0.002 nan 8.290 nan 0.000 0.408 632 T N 0.528 115.261 114.554 0.299 0.000 2.674 632 T HA -0.122 4.231 4.350 0.005 0.000 0.265 632 T C 1.772 176.537 174.700 0.109 0.000 1.039 632 T CA 1.799 64.027 62.100 0.213 0.000 1.150 632 T CB -0.436 68.645 68.868 0.354 0.000 0.864 632 T HN 0.283 nan 8.240 nan 0.000 0.427 633 V N 1.506 121.420 119.914 0.001 0.000 2.343 633 V HA -0.104 4.019 4.120 0.005 0.000 0.247 633 V C 2.407 178.613 176.094 0.186 0.000 1.051 633 V CA 1.294 63.558 62.300 -0.059 0.000 1.036 633 V CB -0.672 30.962 31.823 -0.315 0.000 0.654 633 V HN 0.309 nan 8.190 nan 0.000 0.451 634 L N -0.289 120.999 121.223 0.110 0.000 2.017 634 L HA -0.157 4.187 4.340 0.005 0.000 0.208 634 L C 2.204 179.173 176.870 0.165 0.000 1.073 634 L CA 1.948 56.854 54.840 0.110 0.000 0.745 634 L CB -0.574 41.451 42.059 -0.057 0.000 0.894 634 L HN 0.287 nan 8.230 nan 0.000 0.432 635 L N -1.124 120.160 121.223 0.101 0.000 2.056 635 L HA -0.016 4.327 4.340 0.005 0.000 0.207 635 L C 2.285 178.830 176.870 -0.542 0.000 1.078 635 L CA 1.535 56.291 54.840 -0.139 0.000 0.749 635 L CB -0.867 41.005 42.059 -0.311 0.000 0.901 635 L HN 0.377 nan 8.230 nan 0.000 0.433 636 G N -1.003 107.421 108.800 -0.626 0.000 2.422 636 G HA2 -0.206 3.757 3.960 0.005 0.000 0.218 636 G HA3 -0.206 3.757 3.960 0.005 0.000 0.218 636 G C 1.421 176.066 174.900 -0.426 0.000 1.146 636 G CA 0.596 45.079 45.100 -1.027 0.000 0.769 636 G HN 0.558 nan 8.290 nan 0.000 0.547 637 G N 0.820 109.630 108.800 0.017 0.000 2.394 637 G HA2 -0.077 3.886 3.960 0.005 0.000 0.214 637 G HA3 -0.077 3.886 3.960 0.005 0.000 0.214 637 G C 1.790 176.513 174.900 -0.294 0.000 1.176 637 G CA 0.540 45.552 45.100 -0.146 0.000 0.786 637 G HN 0.399 nan 8.290 nan 0.000 0.533 638 L N -0.007 121.150 121.223 -0.111 0.000 2.079 638 L HA -0.103 4.240 4.340 0.005 0.000 0.210 638 L C 3.199 179.929 176.870 -0.233 0.000 1.081 638 L CA 0.841 55.585 54.840 -0.160 0.000 0.752 638 L CB -0.347 41.587 42.059 -0.209 0.000 0.896 638 L HN 0.078 nan 8.230 nan 0.000 0.433 639 R N 0.076 120.380 120.500 -0.327 0.000 2.083 639 R HA -0.146 4.197 4.340 0.005 0.000 0.237 639 R C 2.160 178.322 176.300 -0.229 0.000 1.137 639 R CA 1.903 57.810 56.100 -0.321 0.000 0.951 639 R CB -0.994 29.008 30.300 -0.498 0.000 0.851 639 R HN 0.474 nan 8.270 nan 0.000 0.434 640 V N -1.697 118.075 119.914 -0.236 0.000 3.306 640 V HA 0.054 4.177 4.120 0.005 0.000 0.264 640 V C 1.921 177.923 176.094 -0.154 0.000 1.149 640 V CA 0.936 63.134 62.300 -0.170 0.000 1.143 640 V CB -0.458 31.265 31.823 -0.167 0.000 0.767 640 V HN 0.085 nan 8.190 nan 0.000 0.476 641 L N 1.414 122.524 121.223 -0.188 0.000 2.509 641 L HA 0.467 4.810 4.340 0.005 0.000 0.222 641 L C 1.810 178.616 176.870 -0.107 0.000 1.123 641 L CA 0.830 55.570 54.840 -0.167 0.000 0.856 641 L CB -0.426 41.499 42.059 -0.224 0.000 0.985 641 L HN 0.611 nan 8.230 nan 0.000 0.456 642 G N -0.104 108.640 108.800 -0.093 0.000 2.165 642 G HA2 -0.249 3.714 3.960 0.005 0.000 0.226 642 G HA3 -0.249 3.714 3.960 0.005 0.000 0.226 642 G C 0.728 175.608 174.900 -0.034 0.000 1.035 642 G CA 0.179 45.247 45.100 -0.053 0.000 0.744 642 G HN 0.375 nan 8.290 nan 0.000 0.501 643 A N -0.540 122.247 122.820 -0.055 0.000 2.208 643 A HA 0.314 4.637 4.320 0.005 0.000 0.209 643 A C 1.192 178.772 177.584 -0.007 0.000 1.161 643 A CA 0.614 52.635 52.037 -0.027 0.000 0.782 643 A CB -0.114 18.830 19.000 -0.093 0.000 0.816 643 A HN 0.466 nan 8.150 nan 0.000 0.477 644 N N 0.453 119.144 118.700 -0.016 0.000 2.412 644 N HA 0.163 4.906 4.740 0.005 0.000 0.254 644 N C -0.090 175.452 175.510 0.054 0.000 1.232 644 N CA 0.165 53.228 53.050 0.022 0.000 0.880 644 N CB 0.599 39.092 38.487 0.010 0.000 1.076 644 N HN 0.038 nan 8.380 nan 0.000 0.458 645 V N 1.652 121.621 119.914 0.092 0.000 2.694 645 V HA 0.115 4.238 4.120 0.005 0.000 0.306 645 V C 1.579 177.723 176.094 0.083 0.000 1.054 645 V CA 1.172 63.527 62.300 0.091 0.000 1.161 645 V CB 0.247 32.146 31.823 0.125 0.000 0.916 645 V HN 0.984 nan 8.190 nan 0.000 0.490 646 G N 3.653 112.491 108.800 0.063 0.000 2.166 646 G HA2 -0.298 3.665 3.960 0.005 0.000 0.260 646 G HA3 -0.298 3.665 3.960 0.005 0.000 0.260 646 G C 0.385 175.302 174.900 0.027 0.000 0.986 646 G CA 0.350 45.479 45.100 0.050 0.000 0.683 646 G HN 0.916 nan 8.290 nan 0.000 0.527 647 Q N -1.681 118.133 119.800 0.024 0.000 2.481 647 Q HA -0.211 4.132 4.340 0.005 0.000 0.272 647 Q C 0.830 176.825 176.000 -0.008 0.000 1.157 647 Q CA 1.411 57.220 55.803 0.010 0.000 0.935 647 Q CB -2.123 26.622 28.738 0.011 0.000 1.338 647 Q HN 1.474 nan 8.270 nan 0.000 0.494 648 S N -0.088 115.601 115.700 -0.019 0.000 2.558 648 S HA 0.117 4.590 4.470 0.005 0.000 0.288 648 S C 1.201 175.763 174.600 -0.064 0.000 1.318 648 S CA -0.172 57.978 58.200 -0.084 0.000 1.056 648 S CB 0.622 63.764 63.200 -0.096 0.000 0.853 648 S HN 0.207 nan 8.310 nan 0.000 0.505 649 R N 2.342 122.790 120.500 -0.086 0.000 2.299 649 R HA 0.120 4.463 4.340 0.005 0.000 0.197 649 R C 0.086 176.463 176.300 0.129 0.000 0.971 649 R CA 0.286 56.408 56.100 0.037 0.000 1.030 649 R CB -1.079 29.276 30.300 0.092 0.000 0.932 649 R HN 0.731 nan 8.270 nan 0.000 0.477 650 H N -0.058 119.068 119.070 0.094 0.000 3.091 650 H HA 0.130 4.689 4.556 0.005 0.000 0.289 650 H C 1.163 176.454 175.328 -0.061 0.000 0.995 650 H CA 0.427 56.534 56.048 0.099 0.000 1.461 650 H CB 0.393 30.215 29.762 0.100 0.000 1.510 650 H HN 0.400 nan 8.280 nan 0.000 0.546 651 G N 2.693 111.434 108.800 -0.097 0.000 2.184 651 G HA2 -0.304 3.659 3.960 0.005 0.000 0.264 651 G HA3 -0.304 3.659 3.960 0.005 0.000 0.264 651 G C 0.392 174.749 174.900 -0.905 0.000 0.975 651 G CA 0.237 44.827 45.100 -0.850 0.000 0.642 651 G HN 0.532 nan 8.290 nan 0.000 0.536 652 V N 1.835 121.523 119.914 -0.377 0.000 2.071 652 V HA 0.313 4.436 4.120 0.005 0.000 0.254 652 V C 0.703 176.738 176.094 -0.100 0.000 1.456 652 V CA -0.038 62.152 62.300 -0.183 0.000 1.383 652 V CB -0.892 30.923 31.823 -0.014 0.000 1.433 652 V HN 0.340 nan 8.190 nan 0.000 0.499 653 F N 1.942 121.699 119.950 -0.322 0.000 2.669 653 F HA 0.384 4.915 4.527 0.006 0.000 0.353 653 F C 0.921 176.342 175.800 -0.631 0.000 1.192 653 F CA -0.151 57.238 58.000 -1.018 0.000 1.317 653 F CB 0.295 38.573 39.000 -1.204 0.000 1.652 653 F HN 0.385 nan 8.300 nan 0.000 0.608 654 T N -0.330 114.214 114.554 -0.016 0.000 2.889 654 T HA 0.563 4.916 4.350 0.005 0.000 0.315 654 T C 0.085 174.949 174.700 0.274 0.000 1.291 654 T CA -0.209 61.963 62.100 0.120 0.000 1.028 654 T CB 1.718 70.596 68.868 0.018 0.000 1.235 654 T HN 0.225 nan 8.240 nan 0.000 0.491 655 A N 2.825 125.781 122.820 0.227 0.000 2.308 655 A HA 0.329 4.652 4.320 0.005 0.000 0.217 655 A C 0.894 178.534 177.584 0.094 0.000 1.216 655 A CA -0.177 51.960 52.037 0.166 0.000 0.864 655 A CB -0.054 19.028 19.000 0.137 0.000 0.902 655 A HN 0.668 nan 8.150 nan 0.000 0.499 656 R N 0.569 121.112 120.500 0.072 0.000 2.629 656 R HA 0.391 4.734 4.340 0.005 0.000 0.277 656 R C -0.741 175.568 176.300 0.015 0.000 1.637 656 R CA -0.414 55.709 56.100 0.038 0.000 1.663 656 R CB 0.046 30.364 30.300 0.030 0.000 1.228 656 R HN 0.324 nan 8.270 nan 0.000 0.632 657 E N 1.940 122.151 120.200 0.019 0.000 2.437 657 E HA -0.119 4.234 4.350 0.005 0.000 0.263 657 E C -0.186 176.399 176.600 -0.025 0.000 1.030 657 E CA 0.665 57.060 56.400 -0.008 0.000 0.934 657 E CB 0.468 30.171 29.700 0.005 0.000 0.943 657 E HN 0.505 nan 8.360 nan 0.000 0.444 658 Q N -1.455 118.314 119.800 -0.052 0.000 2.424 658 Q HA -0.259 4.084 4.340 0.005 0.000 0.234 658 Q C -1.060 174.902 176.000 -0.062 0.000 0.748 658 Q CA 0.615 56.381 55.803 -0.062 0.000 1.286 658 Q CB -1.708 27.005 28.738 -0.041 0.000 1.494 658 Q HN 0.465 nan 8.270 nan 0.000 0.683 659 A N 0.785 123.571 122.820 -0.057 0.000 2.318 659 A HA 0.641 4.964 4.320 0.005 0.000 0.324 659 A C -0.466 177.072 177.584 -0.076 0.000 1.170 659 A CA -0.602 51.407 52.037 -0.046 0.000 0.810 659 A CB 1.035 20.029 19.000 -0.010 0.000 1.198 659 A HN 0.182 nan 8.150 nan 0.000 0.484 660 L N 3.877 125.048 121.223 -0.086 0.000 2.385 660 L HA 0.473 4.817 4.340 0.005 0.000 0.285 660 L C 0.565 177.435 176.870 -0.001 0.000 1.125 660 L CA 0.892 55.667 54.840 -0.108 0.000 0.890 660 L CB -0.353 41.590 42.059 -0.193 0.000 1.251 660 L HN 0.862 nan 8.230 nan 0.000 0.445 661 T N 0.208 114.753 114.554 -0.015 0.000 2.864 661 T HA 0.397 4.750 4.350 0.005 0.000 0.289 661 T C 0.509 174.914 174.700 -0.491 0.000 1.082 661 T CA -0.514 61.535 62.100 -0.086 0.000 1.009 661 T CB 1.170 70.002 68.868 -0.059 0.000 1.234 661 T HN 0.473 nan 8.240 nan 0.000 0.526 662 N N -0.152 118.211 118.700 -0.562 0.000 2.362 662 N HA 0.054 4.797 4.740 0.005 0.000 0.211 662 N C 0.214 175.589 175.510 -0.224 0.000 1.170 662 N CA -0.110 52.522 53.050 -0.697 0.000 0.828 662 N CB -0.330 37.949 38.487 -0.346 0.000 1.034 662 N HN 0.531 nan 8.380 nan 0.000 0.475 663 D N 0.612 120.893 120.400 -0.198 0.000 2.182 663 D HA -0.166 4.477 4.640 0.005 0.000 0.201 663 D C 1.219 177.433 176.300 -0.142 0.000 0.986 663 D CA 0.684 54.619 54.000 -0.107 0.000 0.847 663 D CB -0.324 40.431 40.800 -0.075 0.000 0.942 663 D HN 0.367 nan 8.370 nan 0.000 0.467 664 F N 0.367 120.074 119.950 -0.405 0.000 2.126 664 F HA -0.230 4.300 4.527 0.006 0.000 0.299 664 F C 1.879 177.416 175.800 -0.438 0.000 1.096 664 F CA 1.445 59.145 58.000 -0.501 0.000 1.255 664 F CB -0.411 38.069 39.000 -0.865 0.000 0.997 664 F HN -0.109 nan 8.300 nan 0.000 0.479 665 F N -0.388 119.549 119.950 -0.021 0.000 2.128 665 F HA -0.139 4.391 4.527 0.005 0.000 0.295 665 F C 2.345 178.084 175.800 -0.102 0.000 1.100 665 F CA 1.271 59.242 58.000 -0.050 0.000 1.260 665 F CB -1.213 37.824 39.000 0.063 0.000 1.009 665 F HN -0.235 nan 8.300 nan 0.000 0.476 666 V N 0.511 120.475 119.914 0.083 0.000 2.295 666 V HA -0.296 3.827 4.120 0.005 0.000 0.246 666 V C 2.103 178.177 176.094 -0.032 0.000 1.049 666 V CA 2.023 64.343 62.300 0.033 0.000 1.024 666 V CB -0.645 31.198 31.823 0.033 0.000 0.648 666 V HN 0.366 nan 8.190 nan 0.000 0.447 667 N N 0.002 118.630 118.700 -0.120 0.000 2.216 667 N HA -0.091 4.652 4.740 0.005 0.000 0.183 667 N C 1.744 177.070 175.510 -0.307 0.000 1.017 667 N CA 1.269 54.208 53.050 -0.186 0.000 0.861 667 N CB -0.369 37.910 38.487 -0.346 0.000 0.986 667 N HN 0.436 nan 8.380 nan 0.000 0.428 668 L N 1.130 122.090 121.223 -0.438 0.000 2.083 668 L HA -0.023 4.320 4.340 0.005 0.000 0.209 668 L C 1.607 178.368 176.870 -0.181 0.000 1.083 668 L CA 1.492 56.047 54.840 -0.476 0.000 0.752 668 L CB -0.428 41.277 42.059 -0.589 0.000 0.899 668 L HN 0.074 nan 8.230 nan 0.000 0.433 669 L N -0.413 120.760 121.223 -0.084 0.000 2.591 669 L HA 0.103 4.446 4.340 0.005 0.000 0.228 669 L C 0.262 177.146 176.870 0.024 0.000 1.133 669 L CA -0.212 54.625 54.840 -0.005 0.000 0.880 669 L CB -0.620 41.459 42.059 0.034 0.000 1.033 669 L HN 0.186 nan 8.230 nan 0.000 0.450 670 D N 0.901 121.319 120.400 0.030 0.000 2.346 670 D HA -0.032 4.611 4.640 0.005 0.000 0.260 670 D C 0.940 177.279 176.300 0.066 0.000 1.252 670 D CA -0.001 54.028 54.000 0.048 0.000 0.895 670 D CB 1.231 42.067 40.800 0.060 0.000 1.097 670 D HN -0.069 nan 8.370 nan 0.000 0.489 671 M N 3.463 123.091 119.600 0.046 0.000 2.632 671 M HA 0.108 4.591 4.480 0.005 0.000 0.256 671 M C 1.758 178.072 176.300 0.023 0.000 1.080 671 M CA 0.822 56.149 55.300 0.044 0.000 1.084 671 M CB -0.297 32.320 32.600 0.027 0.000 1.439 671 M HN 0.420 nan 8.290 nan 0.000 0.509 672 G N -0.874 107.934 108.800 0.013 0.000 2.559 672 G HA2 -0.074 3.889 3.960 0.005 0.000 0.216 672 G HA3 -0.074 3.889 3.960 0.005 0.000 0.216 672 G C 0.443 175.312 174.900 -0.050 0.000 1.126 672 G CA 0.695 45.786 45.100 -0.015 0.000 0.778 672 G HN 0.461 nan 8.290 nan 0.000 0.543 673 T N 0.110 114.636 114.554 -0.047 0.000 2.794 673 T HA 0.468 4.821 4.350 0.005 0.000 0.280 673 T C -0.674 173.909 174.700 -0.196 0.000 0.987 673 T CA -0.461 61.532 62.100 -0.177 0.000 0.993 673 T CB 2.482 71.234 68.868 -0.194 0.000 0.939 673 T HN 0.256 nan 8.240 nan 0.000 0.449 674 E N 2.102 122.127 120.200 -0.292 0.000 2.191 674 E HA 0.415 4.768 4.350 0.005 0.000 0.274 674 E C -1.390 175.023 176.600 -0.310 0.000 0.948 674 E CA -0.833 55.467 56.400 -0.166 0.000 0.802 674 E CB 1.099 30.750 29.700 -0.081 0.000 1.137 674 E HN 0.549 nan 8.360 nan 0.000 0.397 675 W N 3.016 124.328 121.300 0.021 0.000 2.666 675 W HA 0.493 5.156 4.660 0.005 0.000 0.334 675 W C -0.367 176.222 176.519 0.116 0.000 1.051 675 W CA -0.632 56.752 57.345 0.064 0.000 1.224 675 W CB 1.647 31.116 29.460 0.015 0.000 1.405 675 W HN 0.276 nan 8.180 nan 0.000 0.513 676 K N 2.693 123.331 120.400 0.397 0.000 2.527 676 K HA 0.405 4.728 4.320 0.005 0.000 0.260 676 K C -2.717 174.075 176.600 0.320 0.000 0.937 676 K CA -1.964 54.511 56.287 0.314 0.000 0.826 676 K CB 2.474 35.062 32.500 0.147 0.000 1.359 676 K HN -0.005 nan 8.250 nan 0.000 0.434 677 P HA -0.016 nan 4.420 nan 0.000 0.272 677 P C -0.352 176.871 177.300 -0.128 0.000 1.223 677 P CA -0.262 62.688 63.100 -0.251 0.000 0.784 677 P CB 0.301 31.840 31.700 -0.268 0.000 0.923 678 T N -1.683 112.765 114.554 -0.177 0.000 2.868 678 T HA 0.409 4.762 4.350 0.005 0.000 0.292 678 T C 1.413 176.066 174.700 -0.078 0.000 1.028 678 T CA -0.108 61.943 62.100 -0.082 0.000 1.059 678 T CB 0.690 69.523 68.868 -0.057 0.000 0.991 678 T HN 0.362 nan 8.240 nan 0.000 0.531 679 A N 1.726 124.521 122.820 -0.042 0.000 1.902 679 A HA 0.214 4.537 4.320 0.005 0.000 0.217 679 A C 2.620 180.182 177.584 -0.038 0.000 1.181 679 A CA 1.548 53.564 52.037 -0.035 0.000 0.623 679 A CB -1.461 17.527 19.000 -0.020 0.000 0.818 679 A HN 1.252 nan 8.150 nan 0.000 0.443 680 A N -1.626 121.174 122.820 -0.033 0.000 2.019 680 A HA 0.065 4.388 4.320 0.005 0.000 0.219 680 A C 0.773 178.331 177.584 -0.044 0.000 1.164 680 A CA 1.623 53.643 52.037 -0.028 0.000 0.644 680 A CB -0.070 18.922 19.000 -0.014 0.000 0.805 680 A HN 0.429 nan 8.150 nan 0.000 0.449 681 D N -2.885 117.472 120.400 -0.071 0.000 2.419 681 D HA 0.420 5.063 4.640 0.005 0.000 0.219 681 D C 0.276 176.469 176.300 -0.179 0.000 1.349 681 D CA 0.290 54.231 54.000 -0.098 0.000 0.964 681 D CB 0.747 41.502 40.800 -0.075 0.000 1.463 681 D HN 0.038 nan 8.370 nan 0.000 0.573 682 A N 2.826 125.542 122.820 -0.174 0.000 2.225 682 A HA -0.074 4.249 4.320 0.005 0.000 0.215 682 A C 1.242 178.590 177.584 -0.393 0.000 1.164 682 A CA 0.943 52.831 52.037 -0.249 0.000 0.710 682 A CB 0.101 19.023 19.000 -0.129 0.000 0.780 682 A HN 0.437 nan 8.150 nan 0.000 0.473 683 D N -1.128 119.095 120.400 -0.296 0.000 2.360 683 D HA 0.196 4.839 4.640 0.005 0.000 0.210 683 D C -0.090 176.050 176.300 -0.266 0.000 1.047 683 D CA 0.417 54.291 54.000 -0.209 0.000 0.854 683 D CB 0.627 41.376 40.800 -0.085 0.000 0.936 683 D HN 0.158 nan 8.370 nan 0.000 0.514 684 V N 1.080 120.744 119.914 -0.418 0.000 2.628 684 V HA 0.422 4.545 4.120 0.005 0.000 0.306 684 V C -0.634 175.188 176.094 -0.453 0.000 1.045 684 V CA -0.731 61.386 62.300 -0.306 0.000 0.905 684 V CB 1.836 33.556 31.823 -0.171 0.000 0.997 684 V HN -0.177 nan 8.190 nan 0.000 0.436 685 F N 1.412 121.402 119.950 0.066 0.000 2.532 685 F HA 0.572 5.101 4.527 0.005 0.000 0.321 685 F C 0.328 176.314 175.800 0.311 0.000 1.089 685 F CA -0.769 57.352 58.000 0.201 0.000 0.926 685 F CB 1.770 40.924 39.000 0.257 0.000 1.168 685 F HN 0.392 nan 8.300 nan 0.000 0.459 686 E N 0.813 121.257 120.200 0.408 0.000 2.166 686 E HA 0.543 4.896 4.350 0.005 0.000 0.275 686 E C -0.315 176.293 176.600 0.014 0.000 0.941 686 E CA -0.765 55.767 56.400 0.219 0.000 0.784 686 E CB 1.963 31.714 29.700 0.085 0.000 1.115 686 E HN 0.804 nan 8.360 nan 0.000 0.399 687 G N 3.196 111.733 108.800 -0.438 0.000 2.384 687 G HA2 0.411 4.374 3.960 0.005 0.000 0.316 687 G HA3 0.411 4.374 3.960 0.005 0.000 0.316 687 G C -0.373 174.110 174.900 -0.696 0.000 1.160 687 G CA -0.496 43.795 45.100 -1.349 0.000 0.936 687 G HN 0.328 nan 8.290 nan 0.000 0.455 688 R N 1.747 121.926 120.500 -0.535 0.000 2.711 688 R HA 0.253 4.596 4.340 0.005 0.000 0.284 688 R C -0.709 175.415 176.300 -0.293 0.000 0.968 688 R CA -0.942 54.958 56.100 -0.333 0.000 0.924 688 R CB 2.051 32.225 30.300 -0.209 0.000 1.162 688 R HN 0.557 nan 8.270 nan 0.000 0.465 689 D N 1.802 122.060 120.400 -0.237 0.000 2.487 689 D HA -0.070 4.573 4.640 0.005 0.000 0.243 689 D C 0.782 177.003 176.300 -0.131 0.000 1.154 689 D CA 0.558 54.453 54.000 -0.174 0.000 0.876 689 D CB 0.822 41.530 40.800 -0.152 0.000 1.161 689 D HN 0.414 nan 8.370 nan 0.000 0.478 690 R N 2.766 123.202 120.500 -0.107 0.000 2.120 690 R HA -0.148 4.195 4.340 0.005 0.000 0.234 690 R C 1.857 178.120 176.300 -0.061 0.000 1.123 690 R CA 1.575 57.629 56.100 -0.076 0.000 0.975 690 R CB 0.081 30.349 30.300 -0.054 0.000 0.866 690 R HN 0.538 nan 8.270 nan 0.000 0.446 691 A N -0.689 122.095 122.820 -0.061 0.000 1.911 691 A HA -0.066 4.257 4.320 0.005 0.000 0.212 691 A C 1.999 179.552 177.584 -0.052 0.000 1.189 691 A CA 1.471 53.478 52.037 -0.049 0.000 0.639 691 A CB -0.152 18.821 19.000 -0.044 0.000 0.839 691 A HN 0.460 nan 8.150 nan 0.000 0.449 692 T N -5.739 108.776 114.554 -0.065 0.000 2.990 692 T HA 0.420 4.773 4.350 0.005 0.000 0.249 692 T C 1.481 176.140 174.700 -0.069 0.000 1.039 692 T CA 1.196 63.258 62.100 -0.064 0.000 1.036 692 T CB 0.401 69.227 68.868 -0.070 0.000 0.994 692 T HN 1.663 nan 8.240 nan 0.000 0.489 693 G N 1.459 110.209 108.800 -0.084 0.000 2.176 693 G HA2 -0.264 3.699 3.960 0.005 0.000 0.253 693 G HA3 -0.264 3.699 3.960 0.005 0.000 0.253 693 G C -0.131 174.707 174.900 -0.103 0.000 0.979 693 G CA 0.227 45.275 45.100 -0.086 0.000 0.641 693 G HN 0.879 nan 8.290 nan 0.000 0.530 694 E N 0.428 120.559 120.200 -0.115 0.000 2.415 694 E HA 0.331 4.684 4.350 0.005 0.000 0.263 694 E C 0.525 177.020 176.600 -0.175 0.000 0.995 694 E CA -0.773 55.549 56.400 -0.131 0.000 0.915 694 E CB 0.302 29.921 29.700 -0.135 0.000 0.951 694 E HN 0.360 nan 8.360 nan 0.000 0.449 695 L N 5.334 126.460 121.223 -0.161 0.000 2.477 695 L HA 0.017 4.360 4.340 0.005 0.000 0.272 695 L C 0.429 177.128 176.870 -0.284 0.000 1.157 695 L CA 0.962 55.689 54.840 -0.189 0.000 0.889 695 L CB 0.483 42.473 42.059 -0.115 0.000 1.158 695 L HN 0.626 nan 8.230 nan 0.000 0.473 696 K N 3.539 123.686 120.400 -0.423 0.000 2.329 696 K HA 0.235 4.558 4.320 0.005 0.000 0.198 696 K C -0.851 175.255 176.600 -0.823 0.000 1.085 696 K CA 0.511 56.334 56.287 -0.773 0.000 0.961 696 K CB 0.364 32.240 32.500 -1.040 0.000 0.971 696 K HN 0.591 nan 8.250 nan 0.000 0.502 697 W N 0.190 121.427 121.300 -0.105 0.000 3.074 697 W HA 0.278 4.940 4.660 0.005 0.000 0.332 697 W C -0.748 175.895 176.519 0.206 0.000 1.253 697 W CA -1.073 56.333 57.345 0.102 0.000 1.180 697 W CB 1.091 30.629 29.460 0.129 0.000 1.445 697 W HN -0.227 nan 8.180 nan 0.000 0.573 698 T N -0.692 114.284 114.554 0.703 0.000 2.916 698 T HA 0.955 5.308 4.350 0.005 0.000 0.292 698 T C -0.422 174.734 174.700 0.761 0.000 1.055 698 T CA -0.668 61.825 62.100 0.656 0.000 1.009 698 T CB 2.040 71.226 68.868 0.530 0.000 1.118 698 T HN 0.969 nan 8.240 nan 0.000 0.497 699 G N 0.350 109.479 108.800 0.548 0.000 2.677 699 G HA2 0.646 4.609 3.960 0.005 0.000 0.291 699 G HA3 0.646 4.609 3.960 0.005 0.000 0.291 699 G C -0.497 174.479 174.900 0.127 0.000 1.435 699 G CA -0.348 44.953 45.100 0.335 0.000 0.826 699 G HN 1.074 nan 8.290 nan 0.000 0.491 700 T N -2.086 112.502 114.554 0.056 0.000 2.884 700 T HA 0.409 4.762 4.350 0.005 0.000 0.277 700 T C 1.409 176.198 174.700 0.149 0.000 0.976 700 T CA -0.582 61.575 62.100 0.095 0.000 0.956 700 T CB 1.769 70.653 68.868 0.027 0.000 1.113 700 T HN 0.472 nan 8.240 nan 0.000 0.554 701 R N -0.384 120.230 120.500 0.191 0.000 2.105 701 R HA -0.065 4.278 4.340 0.005 0.000 0.239 701 R C 2.280 178.562 176.300 -0.030 0.000 1.135 701 R CA 1.229 57.365 56.100 0.060 0.000 0.967 701 R CB -1.009 29.348 30.300 0.095 0.000 0.861 701 R HN 0.473 nan 8.270 nan 0.000 0.442 702 V N 1.574 121.492 119.914 0.007 0.000 2.515 702 V HA -0.217 3.906 4.120 0.005 0.000 0.250 702 V C 1.589 177.758 176.094 0.124 0.000 1.058 702 V CA 1.793 64.098 62.300 0.009 0.000 1.064 702 V CB -0.392 31.428 31.823 -0.005 0.000 0.675 702 V HN 0.284 nan 8.190 nan 0.000 0.461 703 D N 0.159 120.625 120.400 0.110 0.000 2.103 703 D HA -0.070 4.573 4.640 0.005 0.000 0.199 703 D C 2.085 178.498 176.300 0.189 0.000 0.978 703 D CA 1.145 55.276 54.000 0.218 0.000 0.829 703 D CB -0.114 40.758 40.800 0.120 0.000 0.981 703 D HN 0.316 nan 8.370 nan 0.000 0.464 704 L N 0.834 122.002 121.223 -0.092 0.000 2.395 704 L HA 0.003 4.346 4.340 0.005 0.000 0.218 704 L C 2.455 179.182 176.870 -0.239 0.000 1.130 704 L CA 0.193 54.836 54.840 -0.329 0.000 0.826 704 L CB -0.228 41.423 42.059 -0.681 0.000 0.941 704 L HN -0.072 nan 8.230 nan 0.000 0.451 705 V N 0.035 119.837 119.914 -0.186 0.000 2.594 705 V HA -0.268 3.855 4.120 0.005 0.000 0.253 705 V C 2.178 178.117 176.094 -0.258 0.000 1.069 705 V CA 1.702 63.849 62.300 -0.254 0.000 1.082 705 V CB -0.400 31.217 31.823 -0.343 0.000 0.680 705 V HN 0.261 nan 8.190 nan 0.000 0.469 706 F N 0.838 120.785 119.950 -0.005 0.000 2.451 706 F HA 0.107 4.637 4.527 0.005 0.000 0.299 706 F C 2.134 177.954 175.800 0.033 0.000 1.101 706 F CA 1.194 59.244 58.000 0.083 0.000 1.436 706 F CB -0.429 38.713 39.000 0.236 0.000 1.074 706 F HN 0.312 nan 8.300 nan 0.000 0.553 707 G N -2.199 106.622 108.800 0.036 0.000 3.159 707 G HA2 0.072 4.035 3.960 0.005 0.000 0.232 707 G HA3 0.072 4.035 3.960 0.005 0.000 0.232 707 G C 1.296 176.138 174.900 -0.095 0.000 1.116 707 G CA 0.685 45.752 45.100 -0.055 0.000 0.767 707 G HN 0.317 nan 8.290 nan 0.000 0.547 708 S N -0.921 114.721 115.700 -0.097 0.000 2.891 708 S HA 0.129 4.602 4.470 0.005 0.000 0.247 708 S C 0.743 175.291 174.600 -0.085 0.000 1.063 708 S CA -0.342 57.789 58.200 -0.115 0.000 0.857 708 S CB -0.305 62.798 63.200 -0.161 0.000 0.800 708 S HN 0.329 nan 8.310 nan 0.000 0.540 709 H N 2.659 121.637 119.070 -0.154 0.000 2.964 709 H HA 0.136 4.695 4.556 0.005 0.000 0.328 709 H C 1.431 176.700 175.328 -0.098 0.000 1.030 709 H CA 1.060 57.024 56.048 -0.140 0.000 1.445 709 H CB 1.241 30.905 29.762 -0.163 0.000 1.449 709 H HN 0.518 nan 8.280 nan 0.000 0.581 710 S N 2.741 118.210 115.700 -0.386 0.000 2.423 710 S HA -0.174 4.299 4.470 0.005 0.000 0.231 710 S C 1.837 176.423 174.600 -0.023 0.000 1.014 710 S CA 1.064 59.151 58.200 -0.187 0.000 0.965 710 S CB 0.021 63.072 63.200 -0.247 0.000 0.785 710 S HN 0.778 nan 8.310 nan 0.000 0.495 711 Q N 0.771 120.640 119.800 0.115 0.000 2.123 711 Q HA 0.172 4.515 4.340 0.005 0.000 0.196 711 Q C 2.147 178.289 176.000 0.236 0.000 0.958 711 Q CA 0.711 56.642 55.803 0.212 0.000 0.841 711 Q CB -0.176 28.742 28.738 0.300 0.000 0.915 711 Q HN 0.563 nan 8.270 nan 0.000 0.455 712 L N 0.344 121.755 121.223 0.314 0.000 2.083 712 L HA -0.166 4.177 4.340 0.005 0.000 0.209 712 L C 2.736 179.758 176.870 0.253 0.000 1.083 712 L CA 1.290 56.252 54.840 0.204 0.000 0.752 712 L CB -0.442 41.594 42.059 -0.039 0.000 0.899 712 L HN 0.243 nan 8.230 nan 0.000 0.433 713 R N 0.334 120.943 120.500 0.181 0.000 2.115 713 R HA -0.141 4.202 4.340 0.005 0.000 0.230 713 R C 2.314 178.691 176.300 0.128 0.000 1.111 713 R CA 1.199 57.391 56.100 0.153 0.000 0.976 713 R CB -0.133 30.208 30.300 0.069 0.000 0.870 713 R HN 0.330 nan 8.270 nan 0.000 0.445 714 A N 0.999 123.880 122.820 0.102 0.000 1.933 714 A HA -0.111 4.212 4.320 0.005 0.000 0.218 714 A C 2.116 179.742 177.584 0.070 0.000 1.175 714 A CA 1.090 53.166 52.037 0.065 0.000 0.628 714 A CB -0.414 18.615 19.000 0.047 0.000 0.814 714 A HN 0.319 nan 8.150 nan 0.000 0.444 715 L N -0.838 120.464 121.223 0.131 0.000 2.027 715 L HA -0.159 4.184 4.340 0.005 0.000 0.206 715 L C 3.105 180.069 176.870 0.156 0.000 1.074 715 L CA 1.050 55.979 54.840 0.149 0.000 0.745 715 L CB -0.751 41.464 42.059 0.259 0.000 0.898 715 L HN 0.405 nan 8.230 nan 0.000 0.433 716 A N 0.151 123.125 122.820 0.256 0.000 1.948 716 A HA -0.263 4.060 4.320 0.005 0.000 0.220 716 A C 2.168 179.825 177.584 0.122 0.000 1.177 716 A CA 1.985 54.189 52.037 0.279 0.000 0.636 716 A CB -0.532 18.759 19.000 0.485 0.000 0.815 716 A HN 0.485 nan 8.150 nan 0.000 0.449 717 E N -0.564 119.687 120.200 0.084 0.000 2.077 717 E HA -0.127 4.226 4.350 0.005 0.000 0.193 717 E C 1.985 178.556 176.600 -0.048 0.000 0.989 717 E CA 1.258 57.675 56.400 0.029 0.000 0.800 717 E CB -0.273 29.439 29.700 0.019 0.000 0.746 717 E HN 0.424 nan 8.360 nan 0.000 0.452 718 V N 0.392 120.224 119.914 -0.137 0.000 2.287 718 V HA -0.280 3.843 4.120 0.005 0.000 0.248 718 V C 1.784 177.677 176.094 -0.335 0.000 1.053 718 V CA 1.857 63.989 62.300 -0.280 0.000 1.027 718 V CB -0.595 30.952 31.823 -0.459 0.000 0.646 718 V HN 0.338 nan 8.190 nan 0.000 0.447 719 Y N 0.523 120.693 120.300 -0.217 0.000 2.516 719 Y HA 0.092 4.645 4.550 0.006 0.000 0.291 719 Y C 2.303 178.098 175.900 -0.175 0.000 1.131 719 Y CA 0.776 58.688 58.100 -0.313 0.000 1.281 719 Y CB -0.242 37.692 38.460 -0.877 0.000 1.013 719 Y HN 0.327 nan 8.280 nan 0.000 0.554 720 G N -1.035 107.791 108.800 0.044 0.000 3.284 720 G HA2 0.073 4.036 3.960 0.005 0.000 0.236 720 G HA3 0.073 4.036 3.960 0.005 0.000 0.236 720 G C 0.206 175.142 174.900 0.060 0.000 1.158 720 G CA -0.171 45.002 45.100 0.122 0.000 0.774 720 G HN 0.055 nan 8.290 nan 0.000 0.545 721 S N -0.289 115.424 115.700 0.023 0.000 2.632 721 S HA 0.466 4.939 4.470 0.005 0.000 0.267 721 S C 1.668 176.285 174.600 0.029 0.000 1.276 721 S CA 0.033 58.241 58.200 0.014 0.000 0.998 721 S CB 1.623 64.814 63.200 -0.015 0.000 0.953 721 S HN 0.335 nan 8.310 nan 0.000 0.547 722 A N 1.316 124.151 122.820 0.026 0.000 2.067 722 A HA -0.103 4.220 4.320 0.005 0.000 0.219 722 A C 1.446 179.053 177.584 0.039 0.000 1.158 722 A CA 1.518 53.574 52.037 0.033 0.000 0.661 722 A CB -0.484 18.532 19.000 0.026 0.000 0.801 722 A HN 0.842 nan 8.150 nan 0.000 0.452 723 D N -1.130 119.288 120.400 0.031 0.000 2.328 723 D HA 0.339 4.982 4.640 0.005 0.000 0.221 723 D C 0.909 177.240 176.300 0.052 0.000 1.072 723 D CA 0.737 54.758 54.000 0.036 0.000 0.850 723 D CB -0.051 40.760 40.800 0.018 0.000 0.922 723 D HN 0.271 nan 8.370 nan 0.000 0.516 724 A N -0.110 122.750 122.820 0.066 0.000 2.390 724 A HA 0.130 4.453 4.320 0.005 0.000 0.232 724 A C 1.888 179.581 177.584 0.182 0.000 1.233 724 A CA -0.009 52.085 52.037 0.095 0.000 0.907 724 A CB -0.005 19.029 19.000 0.057 0.000 0.967 724 A HN 0.115 nan 8.150 nan 0.000 0.512 725 Q N 0.491 120.391 119.800 0.167 0.000 2.050 725 Q HA -0.170 4.173 4.340 0.005 0.000 0.202 725 Q C 1.799 177.940 176.000 0.234 0.000 0.980 725 Q CA 2.044 57.973 55.803 0.211 0.000 0.840 725 Q CB -0.080 28.782 28.738 0.207 0.000 0.898 725 Q HN 0.537 nan 8.270 nan 0.000 0.424 726 E N 0.127 120.454 120.200 0.213 0.000 2.107 726 E HA -0.159 4.194 4.350 0.005 0.000 0.191 726 E C 1.760 178.446 176.600 0.143 0.000 0.982 726 E CA 0.903 57.413 56.400 0.182 0.000 0.809 726 E CB -0.104 29.701 29.700 0.174 0.000 0.756 726 E HN 0.384 nan 8.360 nan 0.000 0.459 727 K N 0.083 120.579 120.400 0.160 0.000 2.063 727 K HA -0.177 4.146 4.320 0.005 0.000 0.208 727 K C 2.176 178.922 176.600 0.244 0.000 1.048 727 K CA 1.241 57.629 56.287 0.168 0.000 0.928 727 K CB -0.344 32.239 32.500 0.139 0.000 0.713 727 K HN 0.032 nan 8.250 nan 0.000 0.442 728 F N 1.286 121.353 119.950 0.196 0.000 2.095 728 F HA -0.222 4.308 4.527 0.005 0.000 0.298 728 F C 1.770 177.618 175.800 0.080 0.000 1.104 728 F CA 1.480 59.581 58.000 0.168 0.000 1.232 728 F CB -0.503 38.578 39.000 0.134 0.000 0.987 728 F HN -0.180 nan 8.300 nan 0.000 0.475 729 V N 1.235 121.079 119.914 -0.117 0.000 2.343 729 V HA -0.262 3.861 4.120 0.005 0.000 0.247 729 V C 2.640 178.642 176.094 -0.153 0.000 1.051 729 V CA 2.036 64.185 62.300 -0.253 0.000 1.036 729 V CB -0.644 31.055 31.823 -0.207 0.000 0.654 729 V HN 0.281 nan 8.190 nan 0.000 0.451 730 R N 0.017 120.485 120.500 -0.053 0.000 2.090 730 R HA -0.083 4.260 4.340 0.005 0.000 0.228 730 R C 1.925 178.208 176.300 -0.029 0.000 1.110 730 R CA 1.277 57.369 56.100 -0.013 0.000 0.973 730 R CB -0.859 29.457 30.300 0.027 0.000 0.869 730 R HN 0.506 nan 8.270 nan 0.000 0.440 731 D N 0.190 120.568 120.400 -0.036 0.000 2.144 731 D HA -0.126 4.517 4.640 0.005 0.000 0.200 731 D C 1.615 177.831 176.300 -0.140 0.000 0.978 731 D CA 0.712 54.688 54.000 -0.041 0.000 0.833 731 D CB -0.311 40.522 40.800 0.054 0.000 0.961 731 D HN 0.102 nan 8.370 nan 0.000 0.470 732 F N 1.171 120.879 119.950 -0.404 0.000 2.146 732 F HA -0.187 4.343 4.527 0.004 0.000 0.298 732 F C 2.147 177.849 175.800 -0.162 0.000 1.096 732 F CA 0.964 58.724 58.000 -0.401 0.000 1.275 732 F CB -0.193 38.369 39.000 -0.731 0.000 1.008 732 F HN -0.222 nan 8.300 nan 0.000 0.480 733 V N 0.598 120.490 119.914 -0.036 0.000 2.332 733 V HA -0.330 3.793 4.120 0.005 0.000 0.248 733 V C 2.727 178.802 176.094 -0.032 0.000 1.055 733 V CA 1.817 64.118 62.300 0.003 0.000 1.038 733 V CB -1.517 30.331 31.823 0.042 0.000 0.651 733 V HN 0.500 nan 8.190 nan 0.000 0.450 734 A N -0.667 122.116 122.820 -0.061 0.000 1.902 734 A HA -0.176 4.147 4.320 0.005 0.000 0.217 734 A C 2.454 179.980 177.584 -0.095 0.000 1.181 734 A CA 2.085 54.089 52.037 -0.054 0.000 0.623 734 A CB -0.704 18.273 19.000 -0.037 0.000 0.818 734 A HN 0.354 nan 8.150 nan 0.000 0.443 735 V N -0.739 119.077 119.914 -0.163 0.000 2.453 735 V HA -0.162 3.961 4.120 0.005 0.000 0.247 735 V C 2.016 177.985 176.094 -0.208 0.000 1.048 735 V CA 1.749 63.939 62.300 -0.185 0.000 1.049 735 V CB -0.473 31.234 31.823 -0.192 0.000 0.672 735 V HN 0.790 nan 8.190 nan 0.000 0.457 736 W N 1.133 122.129 121.300 -0.508 0.000 2.317 736 W HA -0.327 4.335 4.660 0.003 0.000 0.318 736 W C 2.272 178.674 176.519 -0.195 0.000 1.227 736 W CA 2.390 59.499 57.345 -0.394 0.000 1.269 736 W CB -0.610 28.578 29.460 -0.453 0.000 1.155 736 W HN 0.496 nan 8.180 nan 0.000 0.484 737 N N 0.925 119.594 118.700 -0.052 0.000 2.120 737 N HA -0.261 4.482 4.740 0.005 0.000 0.188 737 N C 1.935 177.316 175.510 -0.216 0.000 1.024 737 N CA 2.498 55.477 53.050 -0.118 0.000 0.852 737 N CB -0.723 37.755 38.487 -0.016 0.000 1.003 737 N HN 0.158 nan 8.380 nan 0.000 0.424 738 K N -0.023 120.263 120.400 -0.191 0.000 2.020 738 K HA -0.136 4.187 4.320 0.005 0.000 0.212 738 K C 1.696 178.120 176.600 -0.294 0.000 1.050 738 K CA 1.684 57.844 56.287 -0.211 0.000 0.929 738 K CB -0.290 32.117 32.500 -0.154 0.000 0.714 738 K HN 0.066 nan 8.250 nan 0.000 0.443 739 V N 1.550 121.270 119.914 -0.325 0.000 2.343 739 V HA -0.269 3.854 4.120 0.005 0.000 0.247 739 V C 2.462 178.272 176.094 -0.474 0.000 1.051 739 V CA 1.598 63.664 62.300 -0.390 0.000 1.036 739 V CB -0.391 31.219 31.823 -0.355 0.000 0.654 739 V HN 0.429 nan 8.190 nan 0.000 0.451 740 M N 0.167 119.451 119.600 -0.525 0.000 2.279 740 M HA -0.082 4.401 4.480 0.005 0.000 0.264 740 M C 1.242 177.323 176.300 -0.366 0.000 1.062 740 M CA 1.363 56.389 55.300 -0.457 0.000 1.099 740 M CB -1.109 31.237 32.600 -0.424 0.000 1.394 740 M HN 0.391 nan 8.290 nan 0.000 0.426 741 N N 0.024 118.497 118.700 -0.377 0.000 2.214 741 N HA 0.216 4.959 4.740 0.005 0.000 0.214 741 N C 1.501 176.699 175.510 -0.520 0.000 1.132 741 N CA 0.059 52.878 53.050 -0.385 0.000 0.856 741 N CB 0.240 38.535 38.487 -0.319 0.000 1.020 741 N HN 0.323 nan 8.380 nan 0.000 0.509 742 L N 0.682 121.525 121.223 -0.633 0.000 2.127 742 L HA -0.177 4.166 4.340 0.005 0.000 0.211 742 L C 1.222 177.303 176.870 -1.316 0.000 1.089 742 L CA 1.339 55.579 54.840 -0.999 0.000 0.757 742 L CB -0.152 41.157 42.059 -1.250 0.000 0.899 742 L HN 0.132 nan 8.230 nan 0.000 0.434 743 D N -1.670 118.194 120.400 -0.893 0.000 2.342 743 D HA -0.063 4.580 4.640 0.005 0.000 0.221 743 D C 0.825 176.797 176.300 -0.547 0.000 1.101 743 D CA -0.054 53.625 54.000 -0.535 0.000 0.837 743 D CB -0.057 40.744 40.800 0.002 0.000 0.938 743 D HN -0.013 nan 8.370 nan 0.000 0.508 744 R N 0.797 120.891 120.500 -0.677 0.000 4.496 744 R HA 0.184 4.528 4.340 0.005 0.000 0.211 744 R C 0.074 176.136 176.300 -0.396 0.000 1.738 744 R CA -0.349 55.500 56.100 -0.418 0.000 1.528 744 R CB -1.242 28.851 30.300 -0.345 0.000 1.414 744 R HN 0.262 nan 8.270 nan 0.000 0.812 745 F N 0.631 120.538 119.950 -0.071 0.000 2.604 745 F HA -0.119 4.410 4.527 0.004 0.000 0.298 745 F C 2.047 177.819 175.800 -0.048 0.000 1.131 745 F CA 0.696 58.671 58.000 -0.042 0.000 1.457 745 F CB 0.123 39.120 39.000 -0.005 0.000 1.095 745 F HN 0.263 nan 8.300 nan 0.000 0.574 746 D N 0.877 121.318 120.400 0.067 0.000 2.310 746 D HA -0.166 4.477 4.640 0.005 0.000 0.212 746 D C 1.386 177.669 176.300 -0.028 0.000 0.965 746 D CA 1.124 55.130 54.000 0.009 0.000 0.879 746 D CB -0.413 40.372 40.800 -0.025 0.000 0.921 746 D HN 0.356 nan 8.370 nan 0.000 0.510 747 L N -0.229 120.958 121.223 -0.060 0.000 2.693 747 L HA 0.409 4.752 4.340 0.005 0.000 0.235 747 L C 1.324 178.161 176.870 -0.055 0.000 1.127 747 L CA -0.483 54.312 54.840 -0.075 0.000 0.914 747 L CB 0.234 42.219 42.059 -0.123 0.000 1.193 747 L HN -0.056 nan 8.230 nan 0.000 0.502 748 A N 0.000 122.812 122.820 -0.014 0.000 2.254 748 A HA 0.000 4.323 4.320 0.005 0.000 0.244 748 A CA 0.000 52.048 52.037 0.019 0.000 0.836 748 A CB 0.000 19.074 19.000 0.124 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486