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 3n3n_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 0.000 175.476 175.510 -0.056 0.000 1.280 35 N CA 0.000 53.022 53.050 -0.047 0.000 0.885 35 N CB 0.000 38.455 38.487 -0.053 0.000 1.341 36 G N 0.684 109.457 108.800 -0.045 0.000 2.361 36 G HA2 0.470 4.433 3.960 0.005 0.000 0.260 36 G HA3 0.470 4.433 3.960 0.005 0.000 0.260 36 G C 0.349 175.202 174.900 -0.079 0.000 1.261 36 G CA 0.588 45.665 45.100 -0.039 0.000 0.897 36 G HN 0.950 nan 8.290 nan 0.000 0.499 37 T N 1.616 116.106 114.554 -0.107 0.000 2.814 37 T HA 0.417 4.770 4.350 0.005 0.000 0.297 37 T C 0.941 175.538 174.700 -0.173 0.000 0.956 37 T CA -0.076 61.867 62.100 -0.261 0.000 1.123 37 T CB 0.999 69.599 68.868 -0.447 0.000 0.902 37 T HN 0.790 nan 8.240 nan 0.000 0.528 38 S N 2.736 118.297 115.700 -0.232 0.000 2.766 38 S HA 0.410 4.883 4.470 0.005 0.000 0.307 38 S C 1.094 175.665 174.600 -0.048 0.000 1.121 38 S CA -0.908 57.256 58.200 -0.060 0.000 0.980 38 S CB 0.997 64.180 63.200 -0.028 0.000 1.159 38 S HN 0.449 nan 8.310 nan 0.000 0.546 39 N N 0.767 119.579 118.700 0.187 0.000 2.120 39 N HA -0.050 4.693 4.740 0.005 0.000 0.188 39 N C 1.716 177.384 175.510 0.263 0.000 1.024 39 N CA 1.144 54.435 53.050 0.401 0.000 0.852 39 N CB -0.793 37.955 38.487 0.435 0.000 1.003 39 N HN 0.633 nan 8.380 nan 0.000 0.424 40 R N 1.200 121.777 120.500 0.129 0.000 2.103 40 R HA -0.117 4.227 4.340 0.005 0.000 0.242 40 R C 1.128 177.391 176.300 -0.061 0.000 1.142 40 R CA 1.639 57.774 56.100 0.058 0.000 0.960 40 R CB -0.234 30.082 30.300 0.026 0.000 0.858 40 R HN 0.281 nan 8.270 nan 0.000 0.439 41 D N -1.418 118.855 120.400 -0.212 0.000 2.144 41 D HA -0.183 4.460 4.640 0.005 0.000 0.200 41 D C 1.765 177.778 176.300 -0.477 0.000 0.978 41 D CA 1.259 55.026 54.000 -0.389 0.000 0.833 41 D CB -0.396 40.053 40.800 -0.585 0.000 0.961 41 D HN 0.399 nan 8.370 nan 0.000 0.470 42 W N -0.234 120.767 121.300 -0.498 0.000 2.453 42 W HA 0.002 4.665 4.660 0.005 0.000 0.289 42 W C 0.723 176.607 176.519 -1.058 0.000 1.215 42 W CA -0.068 56.666 57.345 -1.019 0.000 1.297 42 W CB 0.121 28.372 29.460 -2.016 0.000 1.113 42 W HN -0.084 nan 8.180 nan 0.000 0.551 43 W N 0.420 121.844 121.300 0.208 0.000 2.291 43 W HA 0.270 4.933 4.660 0.005 0.000 0.288 43 W C -2.303 174.259 176.519 0.071 0.000 0.976 43 W CA -1.833 55.585 57.345 0.122 0.000 1.744 43 W CB -0.048 29.472 29.460 0.100 0.000 1.815 43 W HN -0.155 nan 8.180 nan 0.000 0.396 44 P HA -0.065 nan 4.420 nan 0.000 0.229 44 P C 1.069 178.425 177.300 0.093 0.000 1.160 44 P CA 1.371 64.516 63.100 0.077 0.000 0.777 44 P CB 0.485 32.197 31.700 0.020 0.000 0.814 45 N N -1.324 117.450 118.700 0.123 0.000 2.254 45 N HA 0.034 4.777 4.740 0.005 0.000 0.190 45 N C 0.757 176.329 175.510 0.104 0.000 1.107 45 N CA 0.206 53.312 53.050 0.094 0.000 0.869 45 N CB -0.050 38.485 38.487 0.080 0.000 0.983 45 N HN 0.169 nan 8.380 nan 0.000 0.487 46 Q N 0.929 120.824 119.800 0.158 0.000 2.417 46 Q HA 0.187 4.530 4.340 0.005 0.000 0.241 46 Q C -0.563 175.516 176.000 0.132 0.000 1.008 46 Q CA -0.362 55.531 55.803 0.149 0.000 0.901 46 Q CB 0.506 29.349 28.738 0.175 0.000 1.259 46 Q HN 0.036 nan 8.270 nan 0.000 0.489 47 L N 2.779 124.088 121.223 0.143 0.000 2.410 47 L HA 0.155 4.498 4.340 0.005 0.000 0.273 47 L C -0.712 176.211 176.870 0.087 0.000 1.152 47 L CA 0.715 55.583 54.840 0.047 0.000 0.855 47 L CB 0.636 42.639 42.059 -0.094 0.000 1.129 47 L HN 0.731 nan 8.230 nan 0.000 0.463 48 D N 3.671 124.086 120.400 0.026 0.000 2.427 48 D HA 0.210 4.853 4.640 0.005 0.000 0.226 48 D C 0.683 176.969 176.300 -0.024 0.000 1.076 48 D CA -0.161 53.863 54.000 0.039 0.000 0.849 48 D CB 0.578 41.406 40.800 0.047 0.000 1.052 48 D HN 0.540 nan 8.370 nan 0.000 0.515 49 L N 2.502 123.716 121.223 -0.015 0.000 2.492 49 L HA 0.015 4.358 4.340 0.005 0.000 0.223 49 L C 1.998 178.810 176.870 -0.098 0.000 1.132 49 L CA 0.039 54.833 54.840 -0.076 0.000 0.850 49 L CB -0.119 41.933 42.059 -0.011 0.000 0.966 49 L HN 0.376 nan 8.230 nan 0.000 0.454 50 S N 1.062 116.767 115.700 0.008 0.000 2.420 50 S HA -0.192 4.281 4.470 0.005 0.000 0.237 50 S C 1.911 176.469 174.600 -0.070 0.000 1.023 50 S CA 1.594 59.808 58.200 0.023 0.000 0.991 50 S CB -0.335 62.891 63.200 0.043 0.000 0.792 50 S HN 0.605 nan 8.310 nan 0.000 0.488 51 I N -1.242 119.276 120.570 -0.087 0.000 2.916 51 I HA -0.007 4.166 4.170 0.005 0.000 0.267 51 I C 1.368 177.418 176.117 -0.112 0.000 1.263 51 I CA 1.246 62.501 61.300 -0.074 0.000 1.471 51 I CB -0.277 37.694 38.000 -0.048 0.000 1.089 51 I HN 0.188 nan 8.210 nan 0.000 0.468 52 L N 0.131 121.188 121.223 -0.277 0.000 2.529 52 L HA 0.094 4.438 4.340 0.005 0.000 0.223 52 L C 1.060 177.720 176.870 -0.350 0.000 1.113 52 L CA 0.506 55.139 54.840 -0.345 0.000 0.861 52 L CB -0.436 41.335 42.059 -0.479 0.000 1.012 52 L HN 0.379 nan 8.230 nan 0.000 0.461 53 H N -1.400 117.691 119.070 0.034 0.000 2.512 53 H HA 0.256 4.815 4.556 0.005 0.000 0.276 53 H C 0.325 175.635 175.328 -0.029 0.000 1.126 53 H CA -0.570 55.491 56.048 0.022 0.000 1.060 53 H CB 0.472 30.248 29.762 0.023 0.000 1.646 53 H HN -0.016 nan 8.280 nan 0.000 0.571 54 R N 0.840 121.325 120.500 -0.025 0.000 2.577 54 R HA 0.096 4.439 4.340 0.005 0.000 0.269 54 R C 0.125 176.277 176.300 -0.247 0.000 1.084 54 R CA -0.247 55.674 56.100 -0.299 0.000 1.163 54 R CB 0.364 30.340 30.300 -0.541 0.000 1.100 54 R HN 0.616 nan 8.270 nan 0.000 0.547 55 H N -2.290 116.819 119.070 0.064 0.000 2.862 55 H HA -0.148 4.411 4.556 0.005 0.000 0.290 55 H C 0.154 175.546 175.328 0.107 0.000 1.211 55 H CA 0.634 56.739 56.048 0.094 0.000 1.140 55 H CB -2.133 27.680 29.762 0.086 0.000 1.341 55 H HN 0.656 nan 8.280 nan 0.000 0.392 56 S N -0.181 115.580 115.700 0.102 0.000 2.608 56 S HA 0.248 4.721 4.470 0.005 0.000 0.261 56 S C 1.760 176.416 174.600 0.094 0.000 1.314 56 S CA -0.068 58.191 58.200 0.098 0.000 0.992 56 S CB 1.856 65.093 63.200 0.062 0.000 0.935 56 S HN 0.464 nan 8.310 nan 0.000 0.564 57 S N 0.989 116.736 115.700 0.077 0.000 2.469 57 S HA -0.064 4.410 4.470 0.005 0.000 0.238 57 S C 1.679 176.296 174.600 0.028 0.000 0.998 57 S CA 0.709 58.946 58.200 0.062 0.000 0.957 57 S CB -0.956 62.275 63.200 0.052 0.000 0.764 57 S HN 0.663 nan 8.310 nan 0.000 0.514 58 L N 1.999 123.235 121.223 0.022 0.000 2.056 58 L HA -0.064 4.279 4.340 0.005 0.000 0.207 58 L C 2.961 179.824 176.870 -0.012 0.000 1.078 58 L CA 1.567 56.408 54.840 0.001 0.000 0.749 58 L CB -0.777 41.283 42.059 0.001 0.000 0.901 58 L HN 0.588 nan 8.230 nan 0.000 0.433 59 S N -2.339 113.363 115.700 0.004 0.000 2.558 59 S HA -0.036 4.437 4.470 0.005 0.000 0.217 59 S C 0.614 175.205 174.600 -0.014 0.000 0.975 59 S CA -0.256 57.946 58.200 0.003 0.000 0.912 59 S CB -0.258 62.951 63.200 0.015 0.000 0.776 59 S HN 0.268 nan 8.310 nan 0.000 0.526 60 D N 2.951 123.323 120.400 -0.047 0.000 2.280 60 D HA 0.296 4.939 4.640 0.005 0.000 0.243 60 D C -1.479 174.598 176.300 -0.372 0.000 1.129 60 D CA -2.198 51.676 54.000 -0.210 0.000 0.848 60 D CB 1.831 42.631 40.800 0.001 0.000 1.107 60 D HN 0.068 nan 8.370 nan 0.000 0.471 61 P HA 0.028 nan 4.420 nan 0.000 0.240 61 P C 0.327 177.387 177.300 -0.400 0.000 1.190 61 P CA 0.097 62.897 63.100 -0.500 0.000 0.781 61 P CB 0.277 31.612 31.700 -0.609 0.000 0.931 62 M N 0.359 119.713 119.600 -0.411 0.000 2.255 62 M HA 0.337 4.820 4.480 0.005 0.000 0.336 62 M C 1.265 177.531 176.300 -0.057 0.000 1.135 62 M CA -0.940 54.204 55.300 -0.260 0.000 1.145 62 M CB -0.265 32.169 32.600 -0.278 0.000 1.473 62 M HN -0.184 nan 8.290 nan 0.000 0.462 63 G N 1.542 110.351 108.800 0.014 0.000 2.647 63 G HA2 0.045 4.008 3.960 0.005 0.000 0.234 63 G HA3 0.045 4.008 3.960 0.005 0.000 0.234 63 G C 0.664 175.641 174.900 0.128 0.000 1.252 63 G CA -0.378 44.765 45.100 0.071 0.000 0.846 63 G HN 0.735 nan 8.290 nan 0.000 0.589 64 K N 0.161 120.618 120.400 0.095 0.000 2.211 64 K HA -0.056 4.267 4.320 0.005 0.000 0.204 64 K C 1.753 178.426 176.600 0.122 0.000 1.047 64 K CA 1.373 57.721 56.287 0.103 0.000 0.935 64 K CB 0.089 32.630 32.500 0.070 0.000 0.728 64 K HN 0.430 nan 8.250 nan 0.000 0.452 65 D N -0.703 119.773 120.400 0.125 0.000 2.355 65 D HA -0.049 4.594 4.640 0.005 0.000 0.218 65 D C -0.217 176.180 176.300 0.161 0.000 1.004 65 D CA 0.046 54.117 54.000 0.117 0.000 0.880 65 D CB -0.134 40.724 40.800 0.096 0.000 0.911 65 D HN 0.066 nan 8.370 nan 0.000 0.528 66 F N 2.298 122.298 119.950 0.083 0.000 2.571 66 F HA 0.115 4.645 4.527 0.006 0.000 0.384 66 F C 0.392 176.276 175.800 0.141 0.000 1.058 66 F CA -0.450 57.618 58.000 0.113 0.000 1.200 66 F CB 0.263 39.342 39.000 0.132 0.000 1.077 66 F HN -0.280 nan 8.300 nan 0.000 0.558 67 N N 6.239 124.567 118.700 -0.621 0.000 2.518 67 N HA 0.013 4.756 4.740 0.005 0.000 0.254 67 N C 0.322 175.370 175.510 -0.771 0.000 0.979 67 N CA -0.396 52.361 53.050 -0.489 0.000 0.930 67 N CB 0.390 38.755 38.487 -0.204 0.000 1.152 67 N HN 0.786 nan 8.380 nan 0.000 0.505 68 Y N 4.752 124.616 120.300 -0.726 0.000 2.181 68 Y HA -0.106 4.447 4.550 0.005 0.000 0.288 68 Y C 2.006 177.848 175.900 -0.098 0.000 1.146 68 Y CA 2.264 60.133 58.100 -0.385 0.000 1.164 68 Y CB -0.319 38.144 38.460 0.004 0.000 0.982 68 Y HN 0.646 nan 8.280 nan 0.000 0.515 69 A N 0.406 123.094 122.820 -0.220 0.000 1.884 69 A HA -0.351 3.972 4.320 0.005 0.000 0.219 69 A C 2.138 179.622 177.584 -0.167 0.000 1.197 69 A CA 2.413 54.334 52.037 -0.194 0.000 0.637 69 A CB -0.994 17.973 19.000 -0.056 0.000 0.827 69 A HN 0.687 nan 8.150 nan 0.000 0.450 70 Q N -0.888 118.820 119.800 -0.154 0.000 2.096 70 Q HA -0.126 4.217 4.340 0.005 0.000 0.204 70 Q C 2.474 178.420 176.000 -0.089 0.000 0.982 70 Q CA 1.552 57.295 55.803 -0.100 0.000 0.850 70 Q CB -0.429 28.259 28.738 -0.084 0.000 0.901 70 Q HN 0.713 nan 8.270 nan 0.000 0.422 71 A N 0.558 123.310 122.820 -0.113 0.000 1.858 71 A HA -0.209 4.114 4.320 0.005 0.000 0.216 71 A C 1.897 179.451 177.584 -0.051 0.000 1.190 71 A CA 1.321 53.362 52.037 0.007 0.000 0.617 71 A CB -0.910 18.224 19.000 0.224 0.000 0.827 71 A HN 0.466 nan 8.150 nan 0.000 0.443 72 F N 0.874 120.594 119.950 -0.384 0.000 2.126 72 F HA -0.161 4.369 4.527 0.006 0.000 0.299 72 F C 2.201 177.906 175.800 -0.160 0.000 1.096 72 F CA 2.053 59.850 58.000 -0.338 0.000 1.255 72 F CB -0.020 38.612 39.000 -0.613 0.000 0.997 72 F HN 0.212 nan 8.300 nan 0.000 0.479 73 E N 0.518 120.680 120.200 -0.063 0.000 2.265 73 E HA -0.182 4.172 4.350 0.005 0.000 0.196 73 E C 1.871 178.385 176.600 -0.142 0.000 0.996 73 E CA 0.973 57.322 56.400 -0.084 0.000 0.832 73 E CB -0.258 29.437 29.700 -0.008 0.000 0.756 73 E HN 0.535 nan 8.360 nan 0.000 0.491 74 K N 0.221 120.544 120.400 -0.128 0.000 2.400 74 K HA 0.030 4.353 4.320 0.005 0.000 0.194 74 K C 0.730 177.250 176.600 -0.133 0.000 1.033 74 K CA -0.303 55.926 56.287 -0.098 0.000 1.021 74 K CB 0.146 32.623 32.500 -0.038 0.000 0.808 74 K HN -0.031 nan 8.250 nan 0.000 0.505 75 L N 2.400 123.474 121.223 -0.250 0.000 2.490 75 L HA -0.007 4.336 4.340 0.005 0.000 0.274 75 L C -0.084 176.645 176.870 -0.234 0.000 1.201 75 L CA 0.321 55.012 54.840 -0.249 0.000 0.869 75 L CB 0.477 42.243 42.059 -0.489 0.000 1.123 75 L HN -0.043 nan 8.230 nan 0.000 0.484 76 D N 4.048 124.376 120.400 -0.119 0.000 2.455 76 D HA -0.014 4.629 4.640 0.005 0.000 0.234 76 D C 0.992 177.186 176.300 -0.178 0.000 1.224 76 D CA -0.026 53.913 54.000 -0.101 0.000 0.999 76 D CB 0.250 41.049 40.800 -0.001 0.000 1.072 76 D HN 0.614 nan 8.370 nan 0.000 0.514 77 L N 4.261 125.358 121.223 -0.209 0.000 2.083 77 L HA -0.078 4.265 4.340 0.005 0.000 0.209 77 L C 2.091 178.872 176.870 -0.149 0.000 1.083 77 L CA 2.084 56.800 54.840 -0.206 0.000 0.752 77 L CB -0.615 41.363 42.059 -0.135 0.000 0.899 77 L HN 0.398 nan 8.230 nan 0.000 0.433 78 A N -0.465 122.299 122.820 -0.093 0.000 1.908 78 A HA -0.183 4.140 4.320 0.005 0.000 0.218 78 A C 2.454 180.007 177.584 -0.050 0.000 1.181 78 A CA 2.021 54.025 52.037 -0.055 0.000 0.627 78 A CB -1.210 17.769 19.000 -0.035 0.000 0.818 78 A HN 0.570 nan 8.150 nan 0.000 0.445 79 A N -0.756 122.036 122.820 -0.048 0.000 1.930 79 A HA 0.053 4.376 4.320 0.005 0.000 0.217 79 A C 2.207 179.769 177.584 -0.038 0.000 1.175 79 A CA 1.695 53.741 52.037 0.015 0.000 0.627 79 A CB -0.781 18.292 19.000 0.121 0.000 0.815 79 A HN 0.395 nan 8.150 nan 0.000 0.443 80 V N 0.136 119.887 119.914 -0.271 0.000 2.358 80 V HA -0.246 3.877 4.120 0.005 0.000 0.246 80 V C 2.376 178.353 176.094 -0.195 0.000 1.047 80 V CA 2.265 64.293 62.300 -0.453 0.000 1.035 80 V CB -0.651 30.766 31.823 -0.677 0.000 0.658 80 V HN 0.536 nan 8.190 nan 0.000 0.452 81 K N -0.218 120.102 120.400 -0.134 0.000 2.148 81 K HA -0.118 4.206 4.320 0.005 0.000 0.204 81 K C 2.385 179.044 176.600 0.098 0.000 1.050 81 K CA 1.102 57.360 56.287 -0.049 0.000 0.942 81 K CB -0.210 32.279 32.500 -0.018 0.000 0.724 81 K HN 0.402 nan 8.250 nan 0.000 0.446 82 R N 1.038 121.582 120.500 0.074 0.000 2.070 82 R HA -0.138 4.205 4.340 0.005 0.000 0.233 82 R C 1.816 178.174 176.300 0.096 0.000 1.137 82 R CA 1.728 57.885 56.100 0.095 0.000 0.945 82 R CB -0.349 29.977 30.300 0.043 0.000 0.845 82 R HN 0.204 nan 8.270 nan 0.000 0.430 83 D N 0.788 121.229 120.400 0.069 0.000 2.158 83 D HA -0.165 4.478 4.640 0.005 0.000 0.197 83 D C 1.967 178.289 176.300 0.037 0.000 0.995 83 D CA 1.144 55.185 54.000 0.068 0.000 0.846 83 D CB -0.162 40.704 40.800 0.109 0.000 0.941 83 D HN 0.212 nan 8.370 nan 0.000 0.456 84 L N -0.016 121.198 121.223 -0.015 0.000 2.109 84 L HA -0.113 4.231 4.340 0.005 0.000 0.207 84 L C 2.493 179.327 176.870 -0.059 0.000 1.086 84 L CA 0.771 55.555 54.840 -0.092 0.000 0.760 84 L CB -0.328 41.608 42.059 -0.204 0.000 0.910 84 L HN 0.155 nan 8.230 nan 0.000 0.437 85 H N -0.061 118.999 119.070 -0.016 0.000 2.319 85 H HA -0.152 4.408 4.556 0.005 0.000 0.299 85 H C 2.275 177.610 175.328 0.013 0.000 1.092 85 H CA 1.692 57.745 56.048 0.008 0.000 1.302 85 H CB 0.003 29.770 29.762 0.008 0.000 1.373 85 H HN 0.361 nan 8.280 nan 0.000 0.497 86 A N 1.160 124.068 122.820 0.146 0.000 1.908 86 A HA -0.167 4.156 4.320 0.005 0.000 0.218 86 A C 2.515 180.153 177.584 0.090 0.000 1.181 86 A CA 1.549 53.642 52.037 0.093 0.000 0.627 86 A CB -0.833 18.211 19.000 0.074 0.000 0.818 86 A HN 0.322 nan 8.150 nan 0.000 0.445 87 L N -0.833 120.449 121.223 0.098 0.000 2.131 87 L HA -0.152 4.191 4.340 0.005 0.000 0.210 87 L C 2.268 179.284 176.870 0.245 0.000 1.092 87 L CA 1.833 56.768 54.840 0.158 0.000 0.759 87 L CB -0.513 41.622 42.059 0.126 0.000 0.903 87 L HN 0.313 nan 8.230 nan 0.000 0.435 88 M N -0.418 119.273 119.600 0.151 0.000 2.106 88 M HA -0.159 4.325 4.480 0.005 0.000 0.259 88 M C 1.722 177.951 176.300 -0.119 0.000 1.068 88 M CA 2.139 57.476 55.300 0.063 0.000 1.100 88 M CB -1.829 30.634 32.600 -0.228 0.000 1.351 88 M HN 0.607 nan 8.290 nan 0.000 0.404 89 T N -3.574 110.913 114.554 -0.112 0.000 3.215 89 T HA 0.176 4.529 4.350 0.005 0.000 0.271 89 T C 0.262 174.943 174.700 -0.031 0.000 1.012 89 T CA -0.299 61.727 62.100 -0.122 0.000 0.899 89 T CB -0.543 68.265 68.868 -0.100 0.000 1.089 89 T HN 0.111 nan 8.240 nan 0.000 0.552 90 T N 2.442 117.040 114.554 0.074 0.000 3.477 90 T HA 0.386 4.739 4.350 0.005 0.000 0.347 90 T C 0.254 175.049 174.700 0.158 0.000 1.567 90 T CA -0.339 61.823 62.100 0.104 0.000 1.169 90 T CB 0.312 69.261 68.868 0.135 0.000 1.196 90 T HN 0.402 nan 8.240 nan 0.000 0.768 91 S N 3.208 118.911 115.700 0.005 0.000 2.549 91 S HA 0.132 4.606 4.470 0.005 0.000 0.283 91 S C 0.015 174.630 174.600 0.025 0.000 1.320 91 S CA -0.423 57.748 58.200 -0.050 0.000 1.058 91 S CB 0.309 63.398 63.200 -0.185 0.000 0.882 91 S HN 0.431 nan 8.310 nan 0.000 0.498 92 Q N 3.017 122.810 119.800 -0.011 0.000 2.282 92 Q HA 0.273 4.616 4.340 0.005 0.000 0.260 92 Q C 0.084 175.904 176.000 -0.302 0.000 0.964 92 Q CA -0.698 54.960 55.803 -0.242 0.000 0.880 92 Q CB 1.594 29.890 28.738 -0.737 0.000 1.286 92 Q HN 0.675 nan 8.270 nan 0.000 0.445 93 D N 1.289 121.599 120.400 -0.151 0.000 2.219 93 D HA -0.122 4.521 4.640 0.005 0.000 0.205 93 D C 1.492 177.806 176.300 0.023 0.000 0.970 93 D CA 0.875 54.849 54.000 -0.044 0.000 0.851 93 D CB 0.150 40.980 40.800 0.050 0.000 0.943 93 D HN 0.676 nan 8.370 nan 0.000 0.488 94 W N -1.707 119.687 121.300 0.157 0.000 2.937 94 W HA 0.083 4.746 4.660 0.005 0.000 0.245 94 W C 0.136 176.874 176.519 0.365 0.000 1.306 94 W CA -0.266 57.198 57.345 0.199 0.000 1.470 94 W CB -0.457 29.108 29.460 0.175 0.000 1.132 94 W HN -0.037 nan 8.180 nan 0.000 0.675 95 W N 2.884 124.046 121.300 -0.231 0.000 1.824 95 W HA 0.213 4.876 4.660 0.005 0.000 0.304 95 W C -2.978 173.506 176.519 -0.058 0.000 1.021 95 W CA -1.656 55.624 57.345 -0.107 0.000 1.088 95 W CB 0.482 29.880 29.460 -0.104 0.000 1.089 95 W HN -0.352 nan 8.180 nan 0.000 0.296 96 P HA 0.065 nan 4.420 nan 0.000 0.268 96 P C -0.027 177.215 177.300 -0.097 0.000 1.205 96 P CA 0.569 63.589 63.100 -0.133 0.000 0.771 96 P CB 0.825 32.446 31.700 -0.132 0.000 0.858 97 A N 3.187 125.809 122.820 -0.329 0.000 2.451 97 A HA 0.110 4.433 4.320 0.005 0.000 0.266 97 A C 0.116 177.506 177.584 -0.323 0.000 1.119 97 A CA -0.216 51.445 52.037 -0.627 0.000 0.786 97 A CB -0.513 17.676 19.000 -1.353 0.000 1.061 97 A HN 0.447 nan 8.150 nan 0.000 0.503 98 D N 1.921 122.189 120.400 -0.221 0.000 2.488 98 D HA 0.127 4.770 4.640 0.005 0.000 0.238 98 D C 0.518 176.533 176.300 -0.475 0.000 1.138 98 D CA 0.746 54.402 54.000 -0.574 0.000 0.873 98 D CB -0.192 40.456 40.800 -0.253 0.000 1.183 98 D HN 0.524 nan 8.370 nan 0.000 0.458 99 F N 0.305 119.921 119.950 -0.556 0.000 3.079 99 F HA -0.268 4.262 4.527 0.005 0.000 0.285 99 F C 1.603 177.277 175.800 -0.209 0.000 0.819 99 F CA 0.614 58.427 58.000 -0.311 0.000 1.067 99 F CB -2.006 36.908 39.000 -0.144 0.000 1.263 99 F HN 0.645 nan 8.300 nan 0.000 0.458 100 G N -0.780 107.911 108.800 -0.181 0.000 2.153 100 G HA2 -0.319 3.645 3.960 0.005 0.000 0.252 100 G HA3 -0.319 3.645 3.960 0.005 0.000 0.252 100 G C -0.153 174.700 174.900 -0.079 0.000 0.994 100 G CA 0.438 45.459 45.100 -0.131 0.000 0.698 100 G HN 0.978 nan 8.290 nan 0.000 0.521 101 H N -1.589 117.397 119.070 -0.141 0.000 3.096 101 H HA 0.388 4.948 4.556 0.005 0.000 0.335 101 H C -0.005 175.310 175.328 -0.021 0.000 0.990 101 H CA -0.915 55.107 56.048 -0.044 0.000 1.393 101 H CB 0.729 30.535 29.762 0.074 0.000 1.742 101 H HN 0.043 nan 8.280 nan 0.000 0.501 102 Y N 2.866 123.282 120.300 0.192 0.000 2.553 102 Y HA 0.051 4.604 4.550 0.005 0.000 0.303 102 Y C 2.204 178.197 175.900 0.156 0.000 1.194 102 Y CA 0.815 58.943 58.100 0.045 0.000 1.305 102 Y CB 0.000 38.316 38.460 -0.240 0.000 1.045 102 Y HN 0.794 nan 8.280 nan 0.000 0.514 103 G N 0.193 109.386 108.800 0.656 0.000 2.459 103 G HA2 -0.276 3.687 3.960 0.005 0.000 0.217 103 G HA3 -0.276 3.687 3.960 0.005 0.000 0.217 103 G C 2.068 177.108 174.900 0.233 0.000 1.183 103 G CA 0.980 46.343 45.100 0.438 0.000 0.776 103 G HN 0.505 nan 8.290 nan 0.000 0.552 104 G N 0.835 109.774 108.800 0.232 0.000 2.446 104 G HA2 -0.184 3.779 3.960 0.005 0.000 0.217 104 G HA3 -0.184 3.779 3.960 0.005 0.000 0.217 104 G C 1.787 176.837 174.900 0.251 0.000 1.168 104 G CA 1.107 46.362 45.100 0.259 0.000 0.771 104 G HN 0.443 nan 8.290 nan 0.000 0.551 105 L N -0.468 120.886 121.223 0.217 0.000 2.043 105 L HA 0.008 4.351 4.340 0.005 0.000 0.212 105 L C 2.477 179.402 176.870 0.092 0.000 1.075 105 L CA 1.742 56.651 54.840 0.114 0.000 0.752 105 L CB -0.494 41.578 42.059 0.021 0.000 0.891 105 L HN 0.170 nan 8.230 nan 0.000 0.432 106 F N -0.672 119.393 119.950 0.192 0.000 2.325 106 F HA -0.040 4.490 4.527 0.005 0.000 0.299 106 F C 2.280 178.179 175.800 0.164 0.000 1.090 106 F CA 0.863 58.950 58.000 0.144 0.000 1.392 106 F CB -0.656 38.417 39.000 0.122 0.000 1.053 106 F HN 0.047 nan 8.300 nan 0.000 0.521 107 I N -0.344 120.415 120.570 0.314 0.000 2.252 107 I HA -0.282 3.891 4.170 0.005 0.000 0.245 107 I C 2.704 179.075 176.117 0.423 0.000 1.102 107 I CA 1.196 62.657 61.300 0.269 0.000 1.385 107 I CB -0.416 37.600 38.000 0.027 0.000 1.064 107 I HN 0.017 nan 8.210 nan 0.000 0.414 108 R N 1.071 121.776 120.500 0.342 0.000 2.091 108 R HA -0.225 4.118 4.340 0.005 0.000 0.238 108 R C 2.405 178.785 176.300 0.133 0.000 1.136 108 R CA 1.674 57.956 56.100 0.303 0.000 0.959 108 R CB -0.240 30.151 30.300 0.152 0.000 0.856 108 R HN 0.315 nan 8.270 nan 0.000 0.437 109 M N 0.042 119.738 119.600 0.160 0.000 2.067 109 M HA -0.151 4.332 4.480 0.005 0.000 0.260 109 M C 2.157 178.556 176.300 0.163 0.000 1.069 109 M CA 2.182 57.556 55.300 0.123 0.000 1.117 109 M CB -0.196 32.538 32.600 0.223 0.000 1.334 109 M HN 0.305 nan 8.290 nan 0.000 0.407 110 A N 0.683 123.674 122.820 0.285 0.000 1.877 110 A HA -0.242 4.081 4.320 0.005 0.000 0.216 110 A C 2.086 179.811 177.584 0.235 0.000 1.186 110 A CA 1.577 53.774 52.037 0.266 0.000 0.620 110 A CB -1.701 17.560 19.000 0.435 0.000 0.822 110 A HN 0.932 nan 8.150 nan 0.000 0.443 111 W N 0.367 121.852 121.300 0.307 0.000 2.338 111 W HA -0.233 4.430 4.660 0.005 0.000 0.304 111 W C 1.777 178.443 176.519 0.245 0.000 1.212 111 W CA 1.841 59.352 57.345 0.277 0.000 1.264 111 W CB -0.661 29.091 29.460 0.487 0.000 1.142 111 W HN 0.609 nan 8.180 nan 0.000 0.512 112 H N -0.314 118.449 119.070 -0.512 0.000 2.428 112 H HA -0.144 4.415 4.556 0.005 0.000 0.296 112 H C 2.685 177.735 175.328 -0.464 0.000 1.062 112 H CA 1.268 56.908 56.048 -0.679 0.000 1.350 112 H CB -0.099 29.422 29.762 -0.402 0.000 1.403 112 H HN 0.116 nan 8.280 nan 0.000 0.533 113 S N 0.518 116.121 115.700 -0.161 0.000 2.359 113 S HA -0.181 4.293 4.470 0.005 0.000 0.224 113 S C 2.366 176.835 174.600 -0.219 0.000 1.035 113 S CA 1.105 59.197 58.200 -0.181 0.000 1.018 113 S CB -0.198 62.936 63.200 -0.109 0.000 0.876 113 S HN 0.495 nan 8.310 nan 0.000 0.448 114 A N 0.103 122.793 122.820 -0.217 0.000 2.014 114 A HA 0.275 4.598 4.320 0.005 0.000 0.218 114 A C 2.125 179.602 177.584 -0.179 0.000 1.163 114 A CA 1.341 53.255 52.037 -0.204 0.000 0.652 114 A CB -1.007 17.867 19.000 -0.210 0.000 0.808 114 A HN 0.616 nan 8.150 nan 0.000 0.449 115 G N -0.740 107.820 108.800 -0.400 0.000 2.985 115 G HA2 0.087 4.050 3.960 0.005 0.000 0.209 115 G HA3 0.087 4.050 3.960 0.005 0.000 0.209 115 G C 1.346 175.921 174.900 -0.541 0.000 1.165 115 G CA 1.229 45.982 45.100 -0.579 0.000 0.776 115 G HN 0.600 nan 8.290 nan 0.000 0.541 116 T N -2.464 111.887 114.554 -0.338 0.000 3.072 116 T HA 0.004 4.357 4.350 0.005 0.000 0.266 116 T C 1.004 175.781 174.700 0.130 0.000 1.127 116 T CA -0.301 61.724 62.100 -0.125 0.000 1.107 116 T CB -0.372 68.384 68.868 -0.187 0.000 0.910 116 T HN 0.198 nan 8.240 nan 0.000 0.513 117 Y N 3.271 123.559 120.300 -0.019 0.000 2.620 117 Y HA 0.352 4.905 4.550 0.004 0.000 0.330 117 Y C 0.051 175.990 175.900 0.065 0.000 1.186 117 Y CA -0.854 57.257 58.100 0.018 0.000 1.467 117 Y CB 0.336 38.777 38.460 -0.031 0.000 1.262 117 Y HN 0.052 nan 8.280 nan 0.000 0.550 118 R N 3.008 123.149 120.500 -0.598 0.000 2.437 118 R HA 0.235 4.579 4.340 0.005 0.000 0.310 118 R C 1.084 176.871 176.300 -0.855 0.000 0.955 118 R CA -0.008 55.801 56.100 -0.485 0.000 0.851 118 R CB 1.199 31.363 30.300 -0.226 0.000 1.161 118 R HN 0.786 nan 8.270 nan 0.000 0.446 119 T N -1.037 113.189 114.554 -0.546 0.000 2.929 119 T HA -0.157 4.196 4.350 0.005 0.000 0.271 119 T C 1.778 176.354 174.700 -0.206 0.000 1.085 119 T CA 1.091 62.998 62.100 -0.321 0.000 1.125 119 T CB -0.069 68.780 68.868 -0.031 0.000 0.874 119 T HN 0.538 nan 8.240 nan 0.000 0.494 120 A N 2.874 125.583 122.820 -0.185 0.000 1.902 120 A HA -0.061 4.262 4.320 0.005 0.000 0.217 120 A C 2.059 179.557 177.584 -0.143 0.000 1.181 120 A CA 1.708 53.667 52.037 -0.131 0.000 0.623 120 A CB -0.437 18.497 19.000 -0.109 0.000 0.818 120 A HN 0.742 nan 8.150 nan 0.000 0.443 121 D N -4.075 116.218 120.400 -0.179 0.000 2.500 121 D HA 0.291 4.935 4.640 0.005 0.000 0.217 121 D C 1.094 177.295 176.300 -0.165 0.000 1.159 121 D CA 0.843 54.749 54.000 -0.157 0.000 0.828 121 D CB -0.557 40.153 40.800 -0.151 0.000 1.039 121 D HN 0.791 nan 8.370 nan 0.000 0.512 122 G N 0.907 109.564 108.800 -0.239 0.000 2.189 122 G HA2 -0.374 3.589 3.960 0.005 0.000 0.267 122 G HA3 -0.374 3.589 3.960 0.005 0.000 0.267 122 G C 0.423 175.248 174.900 -0.125 0.000 0.975 122 G CA 0.353 45.343 45.100 -0.183 0.000 0.644 122 G HN 0.456 nan 8.290 nan 0.000 0.537 123 R N 0.220 120.611 120.500 -0.182 0.000 2.726 123 R HA 0.501 4.845 4.340 0.005 0.000 0.272 123 R C 1.310 177.584 176.300 -0.043 0.000 1.097 123 R CA 0.444 56.467 56.100 -0.128 0.000 1.198 123 R CB 0.076 30.244 30.300 -0.220 0.000 1.114 123 R HN 1.421 nan 8.270 nan 0.000 0.550 124 G N -0.599 108.233 108.800 0.054 0.000 2.752 124 G HA2 0.109 4.072 3.960 0.005 0.000 0.234 124 G HA3 0.109 4.072 3.960 0.005 0.000 0.234 124 G C 0.166 175.169 174.900 0.170 0.000 1.367 124 G CA -0.265 44.953 45.100 0.198 0.000 0.879 124 G HN 1.173 nan 8.290 nan 0.000 0.563 125 G N -2.858 106.016 108.800 0.122 0.000 2.685 125 G HA2 0.442 4.405 3.960 0.005 0.000 0.387 125 G HA3 0.442 4.405 3.960 0.005 0.000 0.387 125 G C 0.862 175.710 174.900 -0.086 0.000 1.324 125 G CA 1.163 46.279 45.100 0.027 0.000 0.878 125 G HN 2.491 nan 8.290 nan 0.000 0.527 126 A N -0.568 122.156 122.820 -0.161 0.000 2.220 126 A HA 0.559 4.882 4.320 0.005 0.000 0.211 126 A C 2.504 179.985 177.584 -0.172 0.000 1.176 126 A CA 1.559 53.490 52.037 -0.178 0.000 0.834 126 A CB -0.303 18.564 19.000 -0.221 0.000 0.868 126 A HN 2.309 nan 8.150 nan 0.000 0.488 127 G N -0.059 108.638 108.800 -0.171 0.000 2.535 127 G HA2 -0.095 3.868 3.960 0.005 0.000 0.218 127 G HA3 -0.095 3.868 3.960 0.005 0.000 0.218 127 G C 0.970 175.783 174.900 -0.145 0.000 1.122 127 G CA 0.957 45.954 45.100 -0.173 0.000 0.769 127 G HN 0.650 nan 8.290 nan 0.000 0.549 128 E N -1.066 119.059 120.200 -0.124 0.000 2.630 128 E HA 0.297 4.651 4.350 0.005 0.000 0.218 128 E C 1.369 177.897 176.600 -0.120 0.000 0.977 128 E CA 0.052 56.378 56.400 -0.123 0.000 1.038 128 E CB 0.697 30.334 29.700 -0.104 0.000 1.051 128 E HN 0.244 nan 8.360 nan 0.000 0.487 129 G N 2.330 111.052 108.800 -0.130 0.000 2.249 129 G HA2 -0.328 3.636 3.960 0.005 0.000 0.273 129 G HA3 -0.328 3.636 3.960 0.005 0.000 0.273 129 G C 0.869 175.649 174.900 -0.201 0.000 1.036 129 G CA 0.275 45.281 45.100 -0.157 0.000 0.824 129 G HN 0.196 nan 8.290 nan 0.000 0.504 130 Q N -0.793 118.939 119.800 -0.114 0.000 2.488 130 Q HA -0.026 4.317 4.340 0.005 0.000 0.211 130 Q C 2.336 178.228 176.000 -0.180 0.000 0.967 130 Q CA 1.211 56.998 55.803 -0.026 0.000 0.926 130 Q CB 0.031 28.787 28.738 0.031 0.000 0.992 130 Q HN 0.905 nan 8.270 nan 0.000 0.506 131 Q N 1.239 120.876 119.800 -0.271 0.000 2.291 131 Q HA -0.160 4.183 4.340 0.005 0.000 0.206 131 Q C 1.732 177.504 176.000 -0.380 0.000 0.976 131 Q CA 1.025 56.636 55.803 -0.321 0.000 0.875 131 Q CB 0.135 28.713 28.738 -0.265 0.000 0.927 131 Q HN 0.336 nan 8.270 nan 0.000 0.450 132 R N -1.166 119.005 120.500 -0.550 0.000 2.310 132 R HA 0.107 4.450 4.340 0.005 0.000 0.202 132 R C -0.354 175.516 176.300 -0.716 0.000 0.933 132 R CA -0.066 55.592 56.100 -0.738 0.000 1.054 132 R CB 0.163 29.813 30.300 -1.083 0.000 0.985 132 R HN 0.023 nan 8.270 nan 0.000 0.489 133 F N 0.688 120.500 119.950 -0.230 0.000 2.594 133 F HA 0.603 5.133 4.527 0.005 0.000 0.335 133 F C 0.580 176.285 175.800 -0.159 0.000 1.058 133 F CA -1.569 56.331 58.000 -0.166 0.000 0.981 133 F CB 1.085 40.018 39.000 -0.112 0.000 1.289 133 F HN -0.092 nan 8.300 nan 0.000 0.490 134 A N 1.662 124.555 122.820 0.121 0.000 2.445 134 A HA 0.314 4.637 4.320 0.005 0.000 0.242 134 A C -1.795 175.829 177.584 0.067 0.000 1.075 134 A CA -0.957 51.111 52.037 0.051 0.000 0.777 134 A CB -0.278 18.761 19.000 0.066 0.000 1.013 134 A HN 0.561 nan 8.150 nan 0.000 0.493 135 P HA 0.050 nan 4.420 nan 0.000 0.245 135 P C 1.130 178.261 177.300 -0.281 0.000 1.203 135 P CA 0.416 63.533 63.100 0.028 0.000 0.792 135 P CB 0.092 31.956 31.700 0.272 0.000 0.997 136 L N 0.874 121.748 121.223 -0.582 0.000 2.191 136 L HA -0.158 4.185 4.340 0.005 0.000 0.212 136 L C 2.122 178.707 176.870 -0.475 0.000 1.103 136 L CA 1.583 55.830 54.840 -0.988 0.000 0.769 136 L CB -1.138 40.393 42.059 -0.880 0.000 0.908 136 L HN 0.130 nan 8.230 nan 0.000 0.438 137 N N -1.527 117.010 118.700 -0.273 0.000 2.520 137 N HA -0.131 4.612 4.740 0.005 0.000 0.185 137 N C 1.082 176.570 175.510 -0.036 0.000 1.068 137 N CA 0.981 53.931 53.050 -0.166 0.000 0.911 137 N CB -0.185 38.185 38.487 -0.195 0.000 0.961 137 N HN 0.068 nan 8.380 nan 0.000 0.446 138 S N -1.498 114.173 115.700 -0.049 0.000 2.819 138 S HA 0.181 4.654 4.470 0.005 0.000 0.249 138 S C -0.703 173.929 174.600 0.053 0.000 1.030 138 S CA -0.798 57.379 58.200 -0.038 0.000 1.052 138 S CB 0.109 63.193 63.200 -0.193 0.000 1.017 138 S HN 0.229 nan 8.310 nan 0.000 0.576 139 W N 2.985 124.173 121.300 -0.188 0.000 2.158 139 W HA 0.260 4.923 4.660 0.005 0.000 0.339 139 W C -2.030 174.360 176.519 -0.214 0.000 1.294 139 W CA -1.930 55.192 57.345 -0.372 0.000 1.231 139 W CB -0.327 28.957 29.460 -0.293 0.000 1.143 139 W HN 0.085 nan 8.180 nan 0.000 0.571 140 P HA -0.190 nan 4.420 nan 0.000 0.216 140 P C 1.184 178.395 177.300 -0.149 0.000 1.150 140 P CA 1.763 64.782 63.100 -0.134 0.000 0.837 140 P CB 0.344 31.954 31.700 -0.150 0.000 0.786 141 D N -1.611 118.759 120.400 -0.050 0.000 2.310 141 D HA -0.064 4.579 4.640 0.005 0.000 0.212 141 D C 0.864 177.225 176.300 0.102 0.000 0.965 141 D CA 0.760 54.779 54.000 0.031 0.000 0.879 141 D CB -0.555 40.240 40.800 -0.008 0.000 0.921 141 D HN 0.020 nan 8.370 nan 0.000 0.510 142 N N 0.085 118.794 118.700 0.015 0.000 2.276 142 N HA 0.164 4.907 4.740 0.005 0.000 0.212 142 N C -0.343 174.895 175.510 -0.454 0.000 1.127 142 N CA -0.086 52.942 53.050 -0.038 0.000 0.834 142 N CB 0.391 38.896 38.487 0.030 0.000 1.014 142 N HN 0.004 nan 8.380 nan 0.000 0.491 143 A N 0.888 123.185 122.820 -0.871 0.000 2.511 143 A HA 0.155 4.478 4.320 0.005 0.000 0.242 143 A C 0.990 177.989 177.584 -0.974 0.000 1.069 143 A CA -0.025 50.866 52.037 -1.910 0.000 0.763 143 A CB 0.053 18.076 19.000 -1.629 0.000 1.001 143 A HN 0.445 nan 8.150 nan 0.000 0.498 144 N N -0.151 118.044 118.700 -0.842 0.000 2.857 144 N HA -0.189 4.555 4.740 0.005 0.000 0.242 144 N C 0.737 176.037 175.510 -0.350 0.000 0.983 144 N CA 1.604 54.372 53.050 -0.471 0.000 0.934 144 N CB -1.280 36.911 38.487 -0.493 0.000 1.115 144 N HN 0.676 nan 8.380 nan 0.000 0.593 145 L N 1.137 122.213 121.223 -0.245 0.000 2.465 145 L HA -0.105 4.238 4.340 0.005 0.000 0.224 145 L C 2.074 178.897 176.870 -0.079 0.000 1.145 145 L CA 1.257 56.017 54.840 -0.133 0.000 0.834 145 L CB -0.372 41.625 42.059 -0.103 0.000 0.944 145 L HN 0.230 nan 8.230 nan 0.000 0.451 146 D N 0.223 120.611 120.400 -0.021 0.000 2.144 146 D HA -0.213 4.431 4.640 0.005 0.000 0.199 146 D C 1.706 177.961 176.300 -0.074 0.000 0.984 146 D CA 1.068 55.045 54.000 -0.039 0.000 0.834 146 D CB -0.199 40.609 40.800 0.014 0.000 0.955 146 D HN 0.170 nan 8.370 nan 0.000 0.465 147 K N 1.347 121.645 120.400 -0.170 0.000 2.026 147 K HA 0.004 4.327 4.320 0.005 0.000 0.208 147 K C 2.426 179.019 176.600 -0.012 0.000 1.048 147 K CA 1.316 57.528 56.287 -0.126 0.000 0.929 147 K CB -0.967 31.080 32.500 -0.755 0.000 0.713 147 K HN 0.279 nan 8.250 nan 0.000 0.439 148 A N 2.053 124.817 122.820 -0.094 0.000 1.892 148 A HA -0.217 4.107 4.320 0.005 0.000 0.218 148 A C 2.280 180.035 177.584 0.286 0.000 1.188 148 A CA 1.812 53.882 52.037 0.056 0.000 0.631 148 A CB -0.479 18.560 19.000 0.065 0.000 0.822 148 A HN 0.311 nan 8.150 nan 0.000 0.447 149 R N -1.585 119.011 120.500 0.159 0.000 2.115 149 R HA -0.055 4.288 4.340 0.005 0.000 0.226 149 R C 2.394 178.872 176.300 0.296 0.000 1.100 149 R CA 1.232 57.442 56.100 0.184 0.000 0.980 149 R CB -0.222 29.990 30.300 -0.148 0.000 0.875 149 R HN 0.427 nan 8.270 nan 0.000 0.445 150 R N 1.504 122.136 120.500 0.220 0.000 2.075 150 R HA -0.035 4.308 4.340 0.005 0.000 0.232 150 R C 1.965 178.556 176.300 0.485 0.000 1.126 150 R CA 1.271 57.549 56.100 0.297 0.000 0.963 150 R CB -0.680 29.694 30.300 0.123 0.000 0.858 150 R HN 0.169 nan 8.270 nan 0.000 0.435 151 L N 0.024 121.540 121.223 0.488 0.000 2.189 151 L HA -0.186 4.157 4.340 0.005 0.000 0.214 151 L C 1.925 179.004 176.870 0.347 0.000 1.097 151 L CA 1.111 56.189 54.840 0.397 0.000 0.764 151 L CB -0.333 41.828 42.059 0.170 0.000 0.900 151 L HN 0.224 nan 8.230 nan 0.000 0.436 152 L N -1.856 119.594 121.223 0.380 0.000 2.509 152 L HA -0.124 4.219 4.340 0.005 0.000 0.222 152 L C 2.221 179.235 176.870 0.240 0.000 1.123 152 L CA 0.203 55.191 54.840 0.247 0.000 0.856 152 L CB -0.389 41.825 42.059 0.258 0.000 0.985 152 L HN 0.475 nan 8.230 nan 0.000 0.456 153 W N 2.833 124.285 121.300 0.252 0.000 2.318 153 W HA -0.197 4.466 4.660 0.005 0.000 0.313 153 W C -0.929 175.633 176.519 0.071 0.000 1.221 153 W CA 1.325 58.790 57.345 0.199 0.000 1.266 153 W CB -1.068 28.548 29.460 0.260 0.000 1.150 153 W HN 0.101 nan 8.180 nan 0.000 0.496 154 P HA -0.190 nan 4.420 nan 0.000 0.215 154 P C 1.732 178.821 177.300 -0.351 0.000 1.153 154 P CA 2.166 65.022 63.100 -0.407 0.000 0.853 154 P CB -0.293 31.333 31.700 -0.124 0.000 0.788 155 I N -0.963 119.501 120.570 -0.176 0.000 2.286 155 I HA -0.231 3.942 4.170 0.005 0.000 0.245 155 I C 2.373 178.423 176.117 -0.111 0.000 1.104 155 I CA 1.241 62.496 61.300 -0.075 0.000 1.397 155 I CB -0.316 37.678 38.000 -0.011 0.000 1.072 155 I HN -0.136 nan 8.210 nan 0.000 0.417 156 K N 1.282 121.517 120.400 -0.277 0.000 2.044 156 K HA -0.292 4.031 4.320 0.005 0.000 0.210 156 K C 2.153 178.562 176.600 -0.318 0.000 1.049 156 K CA 1.886 57.957 56.287 -0.360 0.000 0.927 156 K CB -0.388 31.713 32.500 -0.665 0.000 0.713 156 K HN 0.308 nan 8.250 nan 0.000 0.443 157 Q N 0.195 119.579 119.800 -0.694 0.000 2.170 157 Q HA -0.216 4.127 4.340 0.005 0.000 0.203 157 Q C 2.000 177.746 176.000 -0.424 0.000 0.976 157 Q CA 1.827 57.151 55.803 -0.799 0.000 0.858 157 Q CB -0.127 27.679 28.738 -1.553 0.000 0.907 157 Q HN 0.365 nan 8.270 nan 0.000 0.433 158 K N -0.743 119.413 120.400 -0.407 0.000 2.057 158 K HA -0.160 4.163 4.320 0.005 0.000 0.206 158 K C 1.265 177.567 176.600 -0.497 0.000 1.050 158 K CA 1.362 57.383 56.287 -0.442 0.000 0.935 158 K CB -0.065 32.115 32.500 -0.533 0.000 0.715 158 K HN 0.293 nan 8.250 nan 0.000 0.439 159 Y N 0.049 120.272 120.300 -0.129 0.000 2.510 159 Y HA 0.177 4.730 4.550 0.006 0.000 0.273 159 Y C 1.494 177.380 175.900 -0.023 0.000 1.119 159 Y CA 0.377 58.436 58.100 -0.069 0.000 1.286 159 Y CB 0.384 38.806 38.460 -0.062 0.000 1.061 159 Y HN 0.377 nan 8.280 nan 0.000 0.542 160 G N 1.524 110.358 108.800 0.056 0.000 2.550 160 G HA2 -0.412 3.551 3.960 0.005 0.000 0.277 160 G HA3 -0.412 3.551 3.960 0.005 0.000 0.277 160 G C 1.168 176.165 174.900 0.161 0.000 1.190 160 G CA 0.522 45.671 45.100 0.081 0.000 0.971 160 G HN 0.453 nan 8.290 nan 0.000 0.559 161 R N 0.812 121.423 120.500 0.185 0.000 2.235 161 R HA 0.356 4.699 4.340 0.005 0.000 0.213 161 R C 2.526 179.116 176.300 0.483 0.000 1.059 161 R CA 1.902 58.176 56.100 0.290 0.000 0.997 161 R CB -0.404 29.986 30.300 0.149 0.000 0.884 161 R HN 1.153 nan 8.270 nan 0.000 0.462 162 A N 1.433 124.465 122.820 0.353 0.000 2.121 162 A HA 0.101 4.424 4.320 0.005 0.000 0.218 162 A C 1.144 178.975 177.584 0.412 0.000 1.154 162 A CA 0.530 52.757 52.037 0.316 0.000 0.679 162 A CB -0.062 19.045 19.000 0.178 0.000 0.795 162 A HN 0.459 nan 8.150 nan 0.000 0.458 163 I N 0.560 121.389 120.570 0.431 0.000 2.512 163 I HA 0.292 4.465 4.170 0.005 0.000 0.287 163 I C 0.083 176.397 176.117 0.328 0.000 1.069 163 I CA -0.659 60.927 61.300 0.477 0.000 1.056 163 I CB 1.926 40.062 38.000 0.226 0.000 1.229 163 I HN 0.183 nan 8.210 nan 0.000 0.429 164 S N 4.512 120.380 115.700 0.279 0.000 2.584 164 S HA 0.115 4.588 4.470 0.005 0.000 0.270 164 S C 0.749 175.344 174.600 -0.008 0.000 1.346 164 S CA -0.247 57.920 58.200 -0.056 0.000 1.018 164 S CB 0.641 63.577 63.200 -0.440 0.000 0.899 164 S HN 0.826 nan 8.310 nan 0.000 0.542 165 W N 1.259 122.523 121.300 -0.060 0.000 2.321 165 W HA -0.158 4.505 4.660 0.005 0.000 0.306 165 W C 2.790 179.244 176.519 -0.109 0.000 1.217 165 W CA 1.499 58.797 57.345 -0.078 0.000 1.257 165 W CB -0.659 28.708 29.460 -0.156 0.000 1.145 165 W HN 0.933 nan 8.180 nan 0.000 0.509 166 A N 0.135 122.991 122.820 0.059 0.000 1.883 166 A HA -0.259 4.064 4.320 0.005 0.000 0.217 166 A C 1.671 179.250 177.584 -0.009 0.000 1.186 166 A CA 2.278 54.295 52.037 -0.033 0.000 0.624 166 A CB -0.990 17.934 19.000 -0.127 0.000 0.822 166 A HN 0.186 nan 8.150 nan 0.000 0.444 167 D N -0.648 119.763 120.400 0.017 0.000 2.117 167 D HA -0.116 4.528 4.640 0.005 0.000 0.197 167 D C 1.825 178.228 176.300 0.172 0.000 0.987 167 D CA 1.172 55.255 54.000 0.138 0.000 0.829 167 D CB -0.387 40.542 40.800 0.214 0.000 0.961 167 D HN 0.311 nan 8.370 nan 0.000 0.460 168 L N 0.624 121.906 121.223 0.097 0.000 2.046 168 L HA -0.091 4.252 4.340 0.005 0.000 0.208 168 L C 2.112 179.000 176.870 0.030 0.000 1.077 168 L CA 1.335 56.186 54.840 0.018 0.000 0.747 168 L CB -0.510 41.510 42.059 -0.065 0.000 0.896 168 L HN 0.039 nan 8.230 nan 0.000 0.432 169 L N -1.292 119.989 121.223 0.097 0.000 2.083 169 L HA -0.219 4.124 4.340 0.005 0.000 0.209 169 L C 2.424 179.339 176.870 0.075 0.000 1.083 169 L CA 0.755 55.650 54.840 0.091 0.000 0.752 169 L CB -0.640 41.471 42.059 0.087 0.000 0.899 169 L HN 0.260 nan 8.230 nan 0.000 0.433 170 I N -0.406 120.213 120.570 0.082 0.000 2.286 170 I HA -0.218 3.955 4.170 0.005 0.000 0.245 170 I C 2.448 178.651 176.117 0.144 0.000 1.104 170 I CA 1.186 62.563 61.300 0.129 0.000 1.397 170 I CB -0.969 37.085 38.000 0.091 0.000 1.072 170 I HN 0.216 nan 8.210 nan 0.000 0.417 171 L N 0.715 121.925 121.223 -0.022 0.000 2.083 171 L HA -0.183 4.160 4.340 0.005 0.000 0.209 171 L C 2.392 179.133 176.870 -0.214 0.000 1.083 171 L CA 1.955 56.552 54.840 -0.405 0.000 0.752 171 L CB -0.909 40.793 42.059 -0.595 0.000 0.899 171 L HN 0.174 nan 8.230 nan 0.000 0.433 172 T N -0.785 113.678 114.554 -0.151 0.000 2.777 172 T HA -0.068 4.286 4.350 0.005 0.000 0.266 172 T C 1.742 176.401 174.700 -0.069 0.000 1.040 172 T CA 1.075 63.042 62.100 -0.222 0.000 1.141 172 T CB -0.863 67.788 68.868 -0.362 0.000 0.868 172 T HN 0.571 nan 8.240 nan 0.000 0.444 173 G N 2.105 110.974 108.800 0.115 0.000 2.476 173 G HA2 -0.324 3.639 3.960 0.005 0.000 0.218 173 G HA3 -0.324 3.639 3.960 0.005 0.000 0.218 173 G C 1.631 176.630 174.900 0.165 0.000 1.164 173 G CA 1.167 46.440 45.100 0.289 0.000 0.768 173 G HN 0.402 nan 8.290 nan 0.000 0.560 174 N N 0.097 118.928 118.700 0.219 0.000 2.104 174 N HA -0.093 4.651 4.740 0.005 0.000 0.190 174 N C 2.240 177.719 175.510 -0.053 0.000 1.024 174 N CA 1.130 54.256 53.050 0.126 0.000 0.853 174 N CB -0.548 38.039 38.487 0.167 0.000 1.008 174 N HN 0.202 nan 8.380 nan 0.000 0.424 175 V N 0.920 120.754 119.914 -0.133 0.000 2.427 175 V HA -0.157 3.966 4.120 0.005 0.000 0.248 175 V C 2.240 178.204 176.094 -0.217 0.000 1.051 175 V CA 1.632 63.773 62.300 -0.266 0.000 1.048 175 V CB -0.955 30.632 31.823 -0.394 0.000 0.666 175 V HN 0.326 nan 8.190 nan 0.000 0.456 176 A N 0.040 122.800 122.820 -0.100 0.000 1.865 176 A HA -0.210 4.113 4.320 0.005 0.000 0.217 176 A C 2.211 179.706 177.584 -0.149 0.000 1.191 176 A CA 2.049 54.081 52.037 -0.009 0.000 0.623 176 A CB -0.624 18.435 19.000 0.099 0.000 0.826 176 A HN 0.485 nan 8.150 nan 0.000 0.444 177 L N -0.898 120.161 121.223 -0.273 0.000 1.990 177 L HA -0.271 4.072 4.340 0.005 0.000 0.213 177 L C 2.678 179.507 176.870 -0.068 0.000 1.072 177 L CA 2.070 56.716 54.840 -0.323 0.000 0.755 177 L CB -0.686 41.159 42.059 -0.357 0.000 0.889 177 L HN 0.470 nan 8.230 nan 0.000 0.432 178 E N -0.657 119.529 120.200 -0.025 0.000 2.058 178 E HA -0.247 4.106 4.350 0.005 0.000 0.194 178 E C 2.341 179.040 176.600 0.166 0.000 0.997 178 E CA 1.503 57.943 56.400 0.066 0.000 0.801 178 E CB -0.167 29.585 29.700 0.086 0.000 0.746 178 E HN 0.281 nan 8.360 nan 0.000 0.450 179 S N 0.072 115.872 115.700 0.167 0.000 2.392 179 S HA -0.177 4.296 4.470 0.005 0.000 0.232 179 S C 1.660 176.402 174.600 0.238 0.000 1.041 179 S CA 1.280 59.656 58.200 0.294 0.000 1.026 179 S CB -0.070 63.316 63.200 0.311 0.000 0.845 179 S HN 0.199 nan 8.310 nan 0.000 0.465 180 M N 0.008 119.689 119.600 0.135 0.000 2.453 180 M HA 0.260 4.743 4.480 0.005 0.000 0.239 180 M C 1.182 177.659 176.300 0.295 0.000 1.151 180 M CA 0.526 55.922 55.300 0.159 0.000 0.989 180 M CB 0.640 33.300 32.600 0.100 0.000 1.548 180 M HN 0.497 nan 8.290 nan 0.000 0.479 181 G N 1.379 110.316 108.800 0.229 0.000 2.134 181 G HA2 -0.264 3.699 3.960 0.005 0.000 0.209 181 G HA3 -0.264 3.699 3.960 0.005 0.000 0.209 181 G C -0.385 174.631 174.900 0.192 0.000 0.993 181 G CA -0.573 44.657 45.100 0.217 0.000 0.669 181 G HN 0.458 nan 8.290 nan 0.000 0.519 182 F N 1.703 121.638 119.950 -0.026 0.000 2.427 182 F HA 0.674 5.204 4.527 0.005 0.000 0.346 182 F C 0.353 176.006 175.800 -0.245 0.000 1.120 182 F CA -1.191 56.637 58.000 -0.288 0.000 1.033 182 F CB 1.191 39.964 39.000 -0.378 0.000 1.126 182 F HN -0.018 nan 8.300 nan 0.000 0.462 183 K N 5.242 125.120 120.400 -0.869 0.000 2.248 183 K HA 0.277 4.600 4.320 0.005 0.000 0.281 183 K C -0.244 176.017 176.600 -0.565 0.000 1.054 183 K CA -0.370 55.607 56.287 -0.516 0.000 0.903 183 K CB 0.771 33.031 32.500 -0.401 0.000 1.077 183 K HN 0.831 nan 8.250 nan 0.000 0.474 184 T N 0.816 115.254 114.554 -0.193 0.000 2.874 184 T HA 0.152 4.505 4.350 0.005 0.000 0.281 184 T C 0.887 175.607 174.700 0.033 0.000 0.994 184 T CA -0.611 61.491 62.100 0.003 0.000 1.015 184 T CB 0.573 69.534 68.868 0.155 0.000 1.028 184 T HN 0.523 nan 8.240 nan 0.000 0.523 185 F N 1.012 120.940 119.950 -0.035 0.000 2.558 185 F HA 0.385 4.915 4.527 0.005 0.000 0.298 185 F C 1.280 176.952 175.800 -0.215 0.000 1.119 185 F CA 1.161 59.080 58.000 -0.135 0.000 1.451 185 F CB -0.407 38.522 39.000 -0.118 0.000 1.091 185 F HN 1.213 nan 8.300 nan 0.000 0.563 186 G N -0.796 108.011 108.800 0.013 0.000 2.350 186 G HA2 0.269 4.232 3.960 0.005 0.000 0.282 186 G HA3 0.269 4.232 3.960 0.005 0.000 0.282 186 G C -2.012 173.066 174.900 0.296 0.000 1.314 186 G CA -0.469 44.617 45.100 -0.023 0.000 0.915 186 G HN 0.262 nan 8.290 nan 0.000 0.499 187 F N 0.058 120.086 119.950 0.130 0.000 2.654 187 F HA 0.738 5.268 4.527 0.006 0.000 0.314 187 F C -0.747 175.192 175.800 0.232 0.000 1.116 187 F CA 0.064 58.240 58.000 0.294 0.000 1.017 187 F CB 1.452 40.597 39.000 0.241 0.000 1.285 187 F HN 1.470 nan 8.300 nan 0.000 0.448 188 A N 3.584 126.051 122.820 -0.588 0.000 2.343 188 A HA 0.783 5.106 4.320 0.005 0.000 0.316 188 A C -0.107 176.778 177.584 -1.164 0.000 1.104 188 A CA -0.177 51.489 52.037 -0.617 0.000 0.768 188 A CB 0.887 19.488 19.000 -0.665 0.000 1.213 188 A HN 1.323 nan 8.150 nan 0.000 0.456 189 G N -0.179 108.150 108.800 -0.786 0.000 2.588 189 G HA2 0.543 4.506 3.960 0.005 0.000 0.281 189 G HA3 0.543 4.506 3.960 0.005 0.000 0.281 189 G C 0.864 175.327 174.900 -0.729 0.000 1.236 189 G CA 0.051 44.549 45.100 -1.004 0.000 0.969 189 G HN 2.146 nan 8.290 nan 0.000 0.504 190 G N -1.428 107.050 108.800 -0.538 0.000 2.273 190 G HA2 -0.166 3.797 3.960 0.005 0.000 0.162 190 G HA3 -0.166 3.797 3.960 0.005 0.000 0.162 190 G C 0.385 175.291 174.900 0.011 0.000 1.006 190 G CA -0.437 44.563 45.100 -0.168 0.000 0.704 190 G HN 0.725 nan 8.290 nan 0.000 0.487 191 R N 1.296 121.742 120.500 -0.090 0.000 2.357 191 R HA 0.555 4.898 4.340 0.005 0.000 0.330 191 R C 0.852 176.993 176.300 -0.265 0.000 1.102 191 R CA 0.544 56.554 56.100 -0.149 0.000 0.974 191 R CB 0.782 30.967 30.300 -0.192 0.000 1.002 191 R HN 0.446 nan 8.270 nan 0.000 0.463 192 A N 3.338 126.033 122.820 -0.208 0.000 2.440 192 A HA 0.063 4.387 4.320 0.005 0.000 0.251 192 A C -0.060 177.339 177.584 -0.309 0.000 1.089 192 A CA -0.535 51.289 52.037 -0.354 0.000 0.779 192 A CB 0.297 19.294 19.000 -0.005 0.000 1.022 192 A HN 0.565 nan 8.150 nan 0.000 0.492 193 D N 0.916 121.097 120.400 -0.365 0.000 2.378 193 D HA 0.338 4.982 4.640 0.005 0.000 0.238 193 D C 0.917 176.917 176.300 -0.500 0.000 1.180 193 D CA 1.105 54.857 54.000 -0.413 0.000 0.895 193 D CB 0.818 41.293 40.800 -0.543 0.000 1.192 193 D HN 0.706 nan 8.370 nan 0.000 0.438 194 T N -2.172 112.039 114.554 -0.571 0.000 2.927 194 T HA 0.537 4.890 4.350 0.005 0.000 0.286 194 T C 0.109 174.383 174.700 -0.710 0.000 1.040 194 T CA -0.815 61.000 62.100 -0.476 0.000 1.010 194 T CB 1.152 69.917 68.868 -0.171 0.000 1.177 194 T HN 0.541 nan 8.240 nan 0.000 0.546 195 W N 0.157 121.521 121.300 0.107 0.000 2.534 195 W HA 0.326 4.990 4.660 0.006 0.000 0.339 195 W C 0.488 176.741 176.519 -0.444 0.000 0.961 195 W CA -0.675 56.669 57.345 -0.002 0.000 1.545 195 W CB 0.670 30.169 29.460 0.065 0.000 1.104 195 W HN 0.923 nan 8.180 nan 0.000 0.538 196 E N -0.564 119.331 120.200 -0.509 0.000 2.430 196 E HA 0.403 4.756 4.350 0.005 0.000 0.279 196 E C -2.901 173.321 176.600 -0.631 0.000 1.003 196 E CA -2.677 53.306 56.400 -0.694 0.000 0.801 196 E CB 1.684 31.203 29.700 -0.302 0.000 1.313 196 E HN -0.380 nan 8.360 nan 0.000 0.459 197 P HA -0.029 nan 4.420 nan 0.000 0.262 197 P C -0.525 176.798 177.300 0.037 0.000 1.182 197 P CA 0.348 63.385 63.100 -0.105 0.000 0.761 197 P CB 0.419 32.100 31.700 -0.032 0.000 0.795 198 E N 2.280 122.552 120.200 0.122 0.000 2.404 198 E HA 0.051 4.405 4.350 0.005 0.000 0.261 198 E C -0.181 176.477 176.600 0.096 0.000 1.074 198 E CA 0.278 56.767 56.400 0.149 0.000 0.917 198 E CB 0.416 30.169 29.700 0.087 0.000 0.965 198 E HN 0.400 nan 8.360 nan 0.000 0.433 199 D N 1.738 122.174 120.400 0.061 0.000 2.380 199 D HA 0.226 4.870 4.640 0.005 0.000 0.230 199 D C -0.681 175.574 176.300 -0.076 0.000 1.154 199 D CA -0.124 53.881 54.000 0.009 0.000 0.859 199 D CB 1.078 41.880 40.800 0.003 0.000 1.045 199 D HN -0.036 nan 8.370 nan 0.000 0.495 200 V N 3.137 122.949 119.914 -0.171 0.000 2.638 200 V HA 0.092 4.215 4.120 0.005 0.000 0.306 200 V C -0.602 175.154 176.094 -0.562 0.000 1.052 200 V CA -1.077 60.925 62.300 -0.497 0.000 0.885 200 V CB 2.022 33.254 31.823 -0.985 0.000 0.999 200 V HN 0.392 nan 8.190 nan 0.000 0.424 201 Y N 3.290 123.280 120.300 -0.517 0.000 2.624 201 Y HA 0.202 4.756 4.550 0.005 0.000 0.354 201 Y C 0.275 175.954 175.900 -0.369 0.000 1.051 201 Y CA -0.406 57.493 58.100 -0.335 0.000 1.377 201 Y CB 0.456 38.789 38.460 -0.211 0.000 1.168 201 Y HN 0.777 nan 8.280 nan 0.000 0.525 202 W N 4.219 125.259 121.300 -0.433 0.000 3.220 202 W HA 0.466 5.129 4.660 0.006 0.000 0.328 202 W C 0.819 176.995 176.519 -0.572 0.000 1.205 202 W CA 0.446 57.607 57.345 -0.307 0.000 1.773 202 W CB 0.509 29.990 29.460 0.036 0.000 1.086 202 W HN 0.938 nan 8.180 nan 0.000 0.622 203 G N -0.601 107.597 108.800 -1.004 0.000 2.340 203 G HA2 -0.035 3.929 3.960 0.005 0.000 0.527 203 G HA3 -0.035 3.929 3.960 0.005 0.000 0.527 203 G C -0.033 174.635 174.900 -0.386 0.000 1.381 203 G CA -0.338 44.362 45.100 -0.667 0.000 1.001 203 G HN -0.219 nan 8.290 nan 0.000 0.626 204 S N -0.298 115.347 115.700 -0.092 0.000 2.559 204 S HA 0.243 4.716 4.470 0.005 0.000 0.226 204 S C 0.581 175.150 174.600 -0.052 0.000 1.000 204 S CA 0.201 58.410 58.200 0.015 0.000 0.948 204 S CB 0.343 63.610 63.200 0.112 0.000 0.870 204 S HN 0.609 nan 8.310 nan 0.000 0.497 205 E N 1.955 122.096 120.200 -0.098 0.000 2.415 205 E HA 0.110 4.464 4.350 0.005 0.000 0.262 205 E C 0.671 177.162 176.600 -0.183 0.000 1.038 205 E CA 0.227 56.556 56.400 -0.118 0.000 0.921 205 E CB 0.410 30.038 29.700 -0.120 0.000 0.950 205 E HN -0.113 nan 8.360 nan 0.000 0.438 206 K N 1.557 121.858 120.400 -0.164 0.000 2.373 206 K HA 0.290 4.613 4.320 0.005 0.000 0.202 206 K C -0.181 176.274 176.600 -0.242 0.000 1.025 206 K CA 0.070 56.236 56.287 -0.201 0.000 1.115 206 K CB 0.304 32.731 32.500 -0.121 0.000 0.858 206 K HN 0.434 nan 8.250 nan 0.000 0.525 207 I N 0.325 120.760 120.570 -0.226 0.000 2.436 207 I HA 0.254 4.427 4.170 0.005 0.000 0.289 207 I C -0.467 175.545 176.117 -0.176 0.000 1.010 207 I CA -1.051 60.148 61.300 -0.169 0.000 1.098 207 I CB 1.264 39.233 38.000 -0.052 0.000 1.266 207 I HN -0.057 nan 8.210 nan 0.000 0.434 208 W N 6.988 128.265 121.300 -0.039 0.000 2.343 208 W HA 0.113 4.776 4.660 0.005 0.000 0.337 208 W C 1.001 177.480 176.519 -0.067 0.000 1.320 208 W CA -0.045 57.260 57.345 -0.067 0.000 1.290 208 W CB 0.155 29.594 29.460 -0.035 0.000 1.206 208 W HN 0.483 nan 8.180 nan 0.000 0.565 209 L N 0.731 122.070 121.223 0.192 0.000 4.496 209 L HA -0.299 4.044 4.340 0.005 0.000 0.419 209 L C 0.752 177.654 176.870 0.053 0.000 1.139 209 L CA 0.262 55.154 54.840 0.086 0.000 0.975 209 L CB -1.827 40.286 42.059 0.089 0.000 2.099 209 L HN 0.545 nan 8.230 nan 0.000 0.818 210 E N 1.218 121.436 120.200 0.029 0.000 2.529 210 E HA 0.156 4.509 4.350 0.005 0.000 0.259 210 E C 0.361 176.985 176.600 0.040 0.000 0.966 210 E CA -0.076 56.338 56.400 0.023 0.000 0.937 210 E CB 0.520 30.218 29.700 -0.004 0.000 0.923 210 E HN 0.227 nan 8.360 nan 0.000 0.468 211 L N 2.628 123.877 121.223 0.043 0.000 2.466 211 L HA 0.108 4.451 4.340 0.005 0.000 0.257 211 L C 0.939 177.847 176.870 0.063 0.000 1.189 211 L CA -0.538 54.333 54.840 0.052 0.000 0.813 211 L CB 0.692 42.775 42.059 0.039 0.000 1.118 211 L HN 0.593 nan 8.230 nan 0.000 0.471 212 S N -0.292 115.452 115.700 0.073 0.000 2.589 212 S HA 0.394 4.867 4.470 0.005 0.000 0.265 212 S C 0.996 175.640 174.600 0.073 0.000 1.342 212 S CA -0.067 58.202 58.200 0.115 0.000 1.005 212 S CB 1.193 64.449 63.200 0.093 0.000 0.909 212 S HN 1.105 nan 8.310 nan 0.000 0.555 213 G N 0.183 109.038 108.800 0.093 0.000 2.159 213 G HA2 -0.089 3.874 3.960 0.005 0.000 0.256 213 G HA3 -0.089 3.874 3.960 0.005 0.000 0.256 213 G C 0.547 175.475 174.900 0.047 0.000 0.977 213 G CA 0.138 45.276 45.100 0.063 0.000 0.652 213 G HN 1.342 nan 8.290 nan 0.000 0.531 214 G N 0.159 108.986 108.800 0.045 0.000 2.588 214 G HA2 0.574 4.537 3.960 0.005 0.000 0.278 214 G HA3 0.574 4.537 3.960 0.005 0.000 0.278 214 G C -0.090 174.825 174.900 0.026 0.000 1.307 214 G CA 0.001 45.118 45.100 0.028 0.000 1.016 214 G HN 0.138 nan 8.290 nan 0.000 0.503 215 P HA -0.070 nan 4.420 nan 0.000 0.221 215 P C 0.499 177.809 177.300 0.017 0.000 1.145 215 P CA 0.964 64.072 63.100 0.014 0.000 0.795 215 P CB 0.287 31.990 31.700 0.005 0.000 0.775 216 N N -0.556 118.153 118.700 0.015 0.000 2.401 216 N HA 0.045 4.789 4.740 0.005 0.000 0.264 216 N C -0.151 175.376 175.510 0.028 0.000 1.238 216 N CA -0.043 53.018 53.050 0.019 0.000 0.889 216 N CB 0.381 38.870 38.487 0.003 0.000 1.196 216 N HN -0.019 nan 8.380 nan 0.000 0.511 217 S N 1.329 117.055 115.700 0.043 0.000 2.575 217 S HA -0.044 4.429 4.470 0.005 0.000 0.295 217 S C 1.599 176.229 174.600 0.050 0.000 1.267 217 S CA -0.255 57.985 58.200 0.068 0.000 1.074 217 S CB 0.529 63.786 63.200 0.095 0.000 0.829 217 S HN 0.444 nan 8.310 nan 0.000 0.497 218 R N 3.566 124.077 120.500 0.019 0.000 2.323 218 R HA 0.057 4.400 4.340 0.005 0.000 0.198 218 R C -0.509 175.663 176.300 -0.214 0.000 0.988 218 R CA 0.548 56.589 56.100 -0.099 0.000 1.041 218 R CB -0.206 29.981 30.300 -0.188 0.000 0.926 218 R HN 0.598 nan 8.270 nan 0.000 0.476 219 Y N 0.757 121.080 120.300 0.039 0.000 2.468 219 Y HA 0.396 4.949 4.550 0.005 0.000 0.342 219 Y C 0.191 176.112 175.900 0.035 0.000 1.021 219 Y CA -0.537 57.587 58.100 0.039 0.000 1.079 219 Y CB 2.245 40.728 38.460 0.038 0.000 1.226 219 Y HN 0.128 nan 8.280 nan 0.000 0.460 220 S N 0.605 116.428 115.700 0.205 0.000 2.579 220 S HA 0.843 5.317 4.470 0.005 0.000 0.272 220 S C -0.072 174.599 174.600 0.119 0.000 1.141 220 S CA -0.305 57.972 58.200 0.129 0.000 0.843 220 S CB 1.542 64.792 63.200 0.083 0.000 1.122 220 S HN 1.568 nan 8.310 nan 0.000 0.468 221 G N 1.839 110.689 108.800 0.083 0.000 2.547 221 G HA2 -0.237 3.726 3.960 0.005 0.000 0.271 221 G HA3 -0.237 3.726 3.960 0.005 0.000 0.271 221 G C -0.308 174.633 174.900 0.067 0.000 1.209 221 G CA 0.557 45.697 45.100 0.067 0.000 0.959 221 G HN 1.288 nan 8.290 nan 0.000 0.563 222 D N 1.041 121.479 120.400 0.064 0.000 2.608 222 D HA 0.402 5.045 4.640 0.005 0.000 0.224 222 D C 1.152 177.495 176.300 0.071 0.000 1.123 222 D CA 0.272 54.303 54.000 0.052 0.000 1.030 222 D CB -0.709 40.118 40.800 0.044 0.000 1.093 222 D HN 0.774 nan 8.370 nan 0.000 0.497 223 R N 1.457 122.001 120.500 0.074 0.000 3.225 223 R HA -0.196 4.148 4.340 0.005 0.000 0.245 223 R C -0.721 175.761 176.300 0.302 0.000 0.928 223 R CA 0.437 56.603 56.100 0.109 0.000 0.632 223 R CB -0.827 29.446 30.300 -0.045 0.000 1.038 223 R HN 0.407 nan 8.270 nan 0.000 0.461 224 Q N 1.140 121.115 119.800 0.292 0.000 2.322 224 Q HA 0.165 4.509 4.340 0.005 0.000 0.256 224 Q C -0.240 175.858 176.000 0.163 0.000 0.960 224 Q CA -0.611 55.319 55.803 0.211 0.000 0.934 224 Q CB 1.400 30.207 28.738 0.116 0.000 1.200 224 Q HN 0.276 nan 8.270 nan 0.000 0.435 225 L N 3.612 124.855 121.223 0.034 0.000 2.319 225 L HA 0.111 4.454 4.340 0.005 0.000 0.280 225 L C 0.433 177.213 176.870 -0.149 0.000 1.099 225 L CA 0.022 54.668 54.840 -0.323 0.000 0.828 225 L CB 0.518 42.424 42.059 -0.256 0.000 1.150 225 L HN 0.549 nan 8.230 nan 0.000 0.442 226 E N 3.417 123.522 120.200 -0.159 0.000 2.415 226 E HA -0.004 4.350 4.350 0.005 0.000 0.263 226 E C -0.595 175.984 176.600 -0.034 0.000 0.995 226 E CA -0.088 56.279 56.400 -0.057 0.000 0.915 226 E CB 0.014 29.702 29.700 -0.019 0.000 0.951 226 E HN 0.710 nan 8.360 nan 0.000 0.449 227 N N 3.978 122.658 118.700 -0.033 0.000 2.454 227 N HA 0.030 4.774 4.740 0.005 0.000 0.254 227 N C -1.787 173.707 175.510 -0.027 0.000 1.228 227 N CA -0.915 52.110 53.050 -0.042 0.000 0.900 227 N CB 0.640 39.083 38.487 -0.073 0.000 1.089 227 N HN 0.553 nan 8.380 nan 0.000 0.449 228 P HA 0.163 nan 4.420 nan 0.000 0.274 228 P C -0.676 176.622 177.300 -0.005 0.000 1.673 228 P CA 0.012 63.093 63.100 -0.031 0.000 1.193 228 P CB 0.301 31.959 31.700 -0.069 0.000 1.571 229 L N 0.248 121.486 121.223 0.024 0.000 2.452 229 L HA 0.476 4.819 4.340 0.005 0.000 0.267 229 L C 1.160 178.046 176.870 0.025 0.000 1.188 229 L CA -0.311 54.544 54.840 0.025 0.000 0.821 229 L CB 0.516 42.568 42.059 -0.011 0.000 1.102 229 L HN -0.018 nan 8.230 nan 0.000 0.470 230 A N 1.464 124.327 122.820 0.072 0.000 2.543 230 A HA 0.704 5.027 4.320 0.005 0.000 0.279 230 A C -0.030 177.655 177.584 0.168 0.000 0.917 230 A CA 0.203 52.308 52.037 0.112 0.000 1.036 230 A CB 0.379 19.449 19.000 0.116 0.000 1.227 230 A HN 0.696 nan 8.150 nan 0.000 0.503 231 A N -0.636 122.246 122.820 0.103 0.000 2.498 231 A HA 0.636 4.959 4.320 0.005 0.000 0.298 231 A C 0.770 178.400 177.584 0.076 0.000 1.075 231 A CA 0.208 52.301 52.037 0.093 0.000 0.714 231 A CB 0.833 19.814 19.000 -0.032 0.000 1.299 231 A HN 1.167 nan 8.150 nan 0.000 0.407 232 V N -1.993 118.011 119.914 0.150 0.000 3.235 232 V HA 0.245 4.368 4.120 0.005 0.000 0.259 232 V C 0.331 176.555 176.094 0.215 0.000 1.133 232 V CA 1.135 63.604 62.300 0.281 0.000 1.128 232 V CB -1.049 30.956 31.823 0.302 0.000 0.757 232 V HN 0.711 nan 8.190 nan 0.000 0.469 233 Q N -0.107 119.729 119.800 0.061 0.000 2.391 233 Q HA 0.545 4.889 4.340 0.005 0.000 0.279 233 Q C -1.116 174.809 176.000 -0.126 0.000 1.028 233 Q CA -0.939 54.866 55.803 0.004 0.000 0.836 233 Q CB 2.401 31.154 28.738 0.025 0.000 1.414 233 Q HN 0.303 nan 8.270 nan 0.000 0.397 234 M N 1.373 120.893 119.600 -0.135 0.000 2.356 234 M HA 0.304 4.787 4.480 0.005 0.000 0.348 234 M C 0.753 176.897 176.300 -0.259 0.000 1.595 234 M CA 1.813 56.971 55.300 -0.237 0.000 1.095 234 M CB -0.592 31.880 32.600 -0.213 0.000 1.963 234 M HN 0.856 nan 8.290 nan 0.000 0.459 235 G N 3.852 112.167 108.800 -0.808 0.000 2.159 235 G HA2 -0.155 3.808 3.960 0.005 0.000 0.227 235 G HA3 -0.155 3.808 3.960 0.005 0.000 0.227 235 G C -0.261 174.169 174.900 -0.784 0.000 0.986 235 G CA 0.026 44.455 45.100 -1.118 0.000 0.651 235 G HN 0.692 nan 8.290 nan 0.000 0.523 236 L N 0.834 121.688 121.223 -0.615 0.000 2.352 236 L HA 0.500 4.844 4.340 0.005 0.000 0.269 236 L C 1.764 178.409 176.870 -0.375 0.000 1.034 236 L CA -1.428 53.214 54.840 -0.331 0.000 0.806 236 L CB 0.858 42.837 42.059 -0.132 0.000 1.244 236 L HN -0.145 nan 8.230 nan 0.000 0.447 237 I N 0.165 120.553 120.570 -0.304 0.000 2.206 237 I HA -0.151 4.022 4.170 0.005 0.000 0.239 237 I C 1.287 177.033 176.117 -0.618 0.000 1.078 237 I CA 2.013 62.987 61.300 -0.543 0.000 1.367 237 I CB -0.536 36.885 38.000 -0.964 0.000 1.078 237 I HN 0.632 nan 8.210 nan 0.000 0.413 238 Y N -0.330 120.008 120.300 0.063 0.000 3.224 238 Y HA 0.261 4.814 4.550 0.006 0.000 0.184 238 Y C 0.739 176.742 175.900 0.172 0.000 0.891 238 Y CA -0.356 57.823 58.100 0.132 0.000 1.736 238 Y CB -0.075 38.523 38.460 0.230 0.000 1.411 238 Y HN -0.135 nan 8.280 nan 0.000 0.402 239 V N -0.859 119.315 119.914 0.433 0.000 3.103 239 V HA 0.499 4.622 4.120 0.005 0.000 0.318 239 V C -0.630 175.609 176.094 0.241 0.000 1.114 239 V CA -1.167 61.320 62.300 0.311 0.000 1.020 239 V CB 1.708 33.725 31.823 0.324 0.000 1.085 239 V HN 0.337 nan 8.190 nan 0.000 0.446 240 N N 2.883 121.699 118.700 0.192 0.000 2.411 240 N HA 0.338 5.081 4.740 0.005 0.000 0.259 240 N C -1.427 174.196 175.510 0.189 0.000 1.103 240 N CA -1.882 51.266 53.050 0.163 0.000 0.954 240 N CB 1.529 40.095 38.487 0.130 0.000 1.085 240 N HN 0.612 nan 8.380 nan 0.000 0.485 241 P HA -0.121 nan 4.420 nan 0.000 0.221 241 P C 0.282 177.707 177.300 0.208 0.000 1.145 241 P CA 1.288 64.522 63.100 0.224 0.000 0.795 241 P CB 0.467 32.305 31.700 0.229 0.000 0.775 242 E N -0.504 119.808 120.200 0.186 0.000 2.371 242 E HA 0.249 4.602 4.350 0.005 0.000 0.194 242 E C 1.043 177.764 176.600 0.202 0.000 1.012 242 E CA 0.395 56.921 56.400 0.210 0.000 0.860 242 E CB -0.003 29.819 29.700 0.203 0.000 0.811 242 E HN 0.275 nan 8.360 nan 0.000 0.502 243 G N 1.188 110.088 108.800 0.168 0.000 2.371 243 G HA2 -0.108 3.855 3.960 0.005 0.000 0.663 243 G HA3 -0.108 3.855 3.960 0.005 0.000 0.663 243 G C -3.082 171.880 174.900 0.105 0.000 1.311 243 G CA -1.322 43.859 45.100 0.134 0.000 0.985 243 G HN -0.209 nan 8.290 nan 0.000 0.566 244 P HA 0.315 nan 4.420 nan 0.000 0.267 244 P C -0.205 177.111 177.300 0.027 0.000 1.209 244 P CA 0.654 63.778 63.100 0.039 0.000 0.763 244 P CB 0.433 32.132 31.700 -0.001 0.000 0.816 245 D N 3.386 123.804 120.400 0.031 0.000 2.882 245 D HA -0.207 4.437 4.640 0.005 0.000 0.229 245 D C 1.114 177.448 176.300 0.057 0.000 1.167 245 D CA 2.022 56.042 54.000 0.034 0.000 0.759 245 D CB -1.491 39.310 40.800 0.002 0.000 1.088 245 D HN 0.796 nan 8.370 nan 0.000 0.425 246 G N -0.657 108.193 108.800 0.084 0.000 2.157 246 G HA2 -0.297 3.666 3.960 0.005 0.000 0.239 246 G HA3 -0.297 3.666 3.960 0.005 0.000 0.239 246 G C -0.002 174.982 174.900 0.141 0.000 0.982 246 G CA 0.072 45.247 45.100 0.125 0.000 0.650 246 G HN 0.391 nan 8.290 nan 0.000 0.527 247 N N 1.606 120.350 118.700 0.073 0.000 2.426 247 N HA 0.404 5.147 4.740 0.005 0.000 0.257 247 N C -2.588 172.927 175.510 0.007 0.000 1.002 247 N CA -1.256 51.802 53.050 0.013 0.000 0.942 247 N CB 2.081 40.571 38.487 0.005 0.000 1.112 247 N HN 0.114 nan 8.380 nan 0.000 0.499 248 P HA 0.082 nan 4.420 nan 0.000 0.220 248 P C -0.759 176.646 177.300 0.176 0.000 1.806 248 P CA -0.105 63.025 63.100 0.051 0.000 0.976 248 P CB -0.125 31.477 31.700 -0.163 0.000 1.952 249 D N 2.202 122.663 120.400 0.101 0.000 2.412 249 D HA 0.194 4.837 4.640 0.005 0.000 0.224 249 D C -1.691 174.633 176.300 0.041 0.000 1.093 249 D CA -2.472 51.567 54.000 0.064 0.000 0.850 249 D CB 1.532 42.348 40.800 0.027 0.000 1.046 249 D HN -0.001 nan 8.370 nan 0.000 0.507 250 P HA -0.079 nan 4.420 nan 0.000 0.223 250 P C 1.496 178.815 177.300 0.031 0.000 1.151 250 P CA 0.293 63.378 63.100 -0.025 0.000 0.787 250 P CB 0.574 32.193 31.700 -0.136 0.000 0.788 251 V N 0.235 120.159 119.914 0.016 0.000 2.407 251 V HA -0.154 3.970 4.120 0.005 0.000 0.245 251 V C 2.508 178.624 176.094 0.036 0.000 1.041 251 V CA 2.052 64.376 62.300 0.040 0.000 1.040 251 V CB -1.578 30.260 31.823 0.026 0.000 0.671 251 V HN 0.083 nan 8.190 nan 0.000 0.455 252 A N 0.180 123.017 122.820 0.028 0.000 1.902 252 A HA -0.124 4.199 4.320 0.005 0.000 0.217 252 A C 2.425 180.040 177.584 0.052 0.000 1.181 252 A CA 2.030 54.084 52.037 0.029 0.000 0.623 252 A CB -0.803 18.207 19.000 0.018 0.000 0.818 252 A HN 0.560 nan 8.150 nan 0.000 0.443 253 A N -0.073 122.788 122.820 0.068 0.000 1.940 253 A HA 0.097 4.420 4.320 0.005 0.000 0.219 253 A C 2.468 180.125 177.584 0.122 0.000 1.176 253 A CA 2.158 54.253 52.037 0.098 0.000 0.631 253 A CB -0.970 18.093 19.000 0.104 0.000 0.814 253 A HN 1.115 nan 8.150 nan 0.000 0.446 254 A N -0.320 122.572 122.820 0.121 0.000 1.972 254 A HA -0.157 4.166 4.320 0.005 0.000 0.219 254 A C 2.222 179.881 177.584 0.125 0.000 1.169 254 A CA 1.453 53.597 52.037 0.177 0.000 0.635 254 A CB -0.432 18.660 19.000 0.153 0.000 0.810 254 A HN 0.584 nan 8.150 nan 0.000 0.446 255 R N -0.369 120.175 120.500 0.073 0.000 2.073 255 R HA -0.117 4.226 4.340 0.005 0.000 0.234 255 R C 1.588 177.956 176.300 0.115 0.000 1.134 255 R CA 1.509 57.646 56.100 0.061 0.000 0.952 255 R CB -0.429 29.895 30.300 0.040 0.000 0.850 255 R HN 0.432 nan 8.270 nan 0.000 0.433 256 D N 0.693 121.174 120.400 0.136 0.000 2.117 256 D HA -0.113 4.530 4.640 0.005 0.000 0.197 256 D C 1.892 178.335 176.300 0.239 0.000 0.987 256 D CA 1.044 55.157 54.000 0.189 0.000 0.829 256 D CB -0.175 40.736 40.800 0.186 0.000 0.961 256 D HN 0.167 nan 8.370 nan 0.000 0.460 257 I N 0.464 121.173 120.570 0.232 0.000 2.208 257 I HA -0.274 3.899 4.170 0.005 0.000 0.245 257 I C 2.556 178.845 176.117 0.288 0.000 1.097 257 I CA 1.063 62.519 61.300 0.260 0.000 1.363 257 I CB -0.162 37.906 38.000 0.112 0.000 1.051 257 I HN -0.048 nan 8.210 nan 0.000 0.413 258 R N 0.751 121.400 120.500 0.248 0.000 2.075 258 R HA -0.217 4.127 4.340 0.005 0.000 0.232 258 R C 2.054 178.474 176.300 0.200 0.000 1.126 258 R CA 2.055 58.289 56.100 0.223 0.000 0.963 258 R CB -0.227 30.126 30.300 0.088 0.000 0.858 258 R HN 0.286 nan 8.270 nan 0.000 0.435 259 D N -0.322 120.188 120.400 0.183 0.000 2.084 259 D HA -0.136 4.507 4.640 0.005 0.000 0.196 259 D C 1.813 178.228 176.300 0.192 0.000 0.985 259 D CA 2.322 56.423 54.000 0.168 0.000 0.826 259 D CB -0.234 40.669 40.800 0.172 0.000 0.978 259 D HN 0.373 nan 8.370 nan 0.000 0.456 260 T N -1.988 112.713 114.554 0.244 0.000 2.746 260 T HA -0.149 4.205 4.350 0.005 0.000 0.267 260 T C 2.107 176.878 174.700 0.120 0.000 1.039 260 T CA 0.908 63.147 62.100 0.231 0.000 1.142 260 T CB -0.962 68.103 68.868 0.329 0.000 0.866 260 T HN 0.070 nan 8.240 nan 0.000 0.444 261 F N 2.215 122.131 119.950 -0.058 0.000 2.234 261 F HA 0.288 4.818 4.527 0.005 0.000 0.299 261 F C 2.883 178.678 175.800 -0.008 0.000 1.087 261 F CA 0.455 58.363 58.000 -0.154 0.000 1.340 261 F CB -0.788 38.111 39.000 -0.169 0.000 1.031 261 F HN 0.269 nan 8.300 nan 0.000 0.500 262 A N -0.122 122.818 122.820 0.201 0.000 1.969 262 A HA -0.155 4.168 4.320 0.005 0.000 0.218 262 A C 2.180 179.831 177.584 0.111 0.000 1.169 262 A CA 1.217 53.342 52.037 0.147 0.000 0.635 262 A CB -0.556 18.520 19.000 0.128 0.000 0.810 262 A HN 0.303 nan 8.150 nan 0.000 0.445 263 R N -0.941 119.619 120.500 0.099 0.000 2.307 263 R HA 0.175 4.518 4.340 0.005 0.000 0.199 263 R C 0.772 177.104 176.300 0.054 0.000 1.000 263 R CA 0.618 56.757 56.100 0.064 0.000 1.023 263 R CB -0.082 30.258 30.300 0.067 0.000 0.908 263 R HN 0.506 nan 8.270 nan 0.000 0.473 264 M N -0.711 118.942 119.600 0.088 0.000 2.576 264 M HA 0.294 4.777 4.480 0.005 0.000 0.322 264 M C 0.276 176.713 176.300 0.228 0.000 1.184 264 M CA -0.105 55.301 55.300 0.177 0.000 0.967 264 M CB 1.274 33.975 32.600 0.169 0.000 1.372 264 M HN 0.130 nan 8.290 nan 0.000 0.509 265 A N 0.243 123.168 122.820 0.175 0.000 3.028 265 A HA -0.137 4.186 4.320 0.005 0.000 0.248 265 A C 0.041 177.685 177.584 0.100 0.000 1.316 265 A CA 0.800 52.928 52.037 0.152 0.000 1.003 265 A CB -1.391 17.717 19.000 0.179 0.000 1.148 265 A HN 0.468 nan 8.150 nan 0.000 0.828 266 M N 1.151 120.828 119.600 0.129 0.000 2.227 266 M HA 0.391 4.874 4.480 0.005 0.000 0.335 266 M C 0.457 176.857 176.300 0.167 0.000 1.053 266 M CA -0.874 54.519 55.300 0.154 0.000 0.973 266 M CB 1.096 33.855 32.600 0.265 0.000 1.623 266 M HN 0.665 nan 8.290 nan 0.000 0.434 267 N N 1.642 120.425 118.700 0.140 0.000 2.374 267 N HA 0.189 4.933 4.740 0.005 0.000 0.284 267 N C 0.192 175.791 175.510 0.149 0.000 1.280 267 N CA -0.233 52.898 53.050 0.135 0.000 0.963 267 N CB 0.387 38.944 38.487 0.115 0.000 1.141 267 N HN 0.361 nan 8.380 nan 0.000 0.565 268 D N -0.715 119.777 120.400 0.155 0.000 2.117 268 D HA -0.186 4.457 4.640 0.005 0.000 0.197 268 D C 1.387 177.783 176.300 0.159 0.000 0.987 268 D CA 1.315 55.457 54.000 0.236 0.000 0.829 268 D CB -0.270 40.658 40.800 0.213 0.000 0.961 268 D HN 0.812 nan 8.370 nan 0.000 0.460 269 E N 0.735 121.013 120.200 0.129 0.000 2.077 269 E HA -0.201 4.152 4.350 0.005 0.000 0.193 269 E C 1.710 178.453 176.600 0.239 0.000 0.989 269 E CA 1.006 57.500 56.400 0.156 0.000 0.800 269 E CB 0.101 29.902 29.700 0.170 0.000 0.746 269 E HN 0.308 nan 8.360 nan 0.000 0.452 270 E N -0.362 119.949 120.200 0.184 0.000 2.110 270 E HA -0.148 4.205 4.350 0.005 0.000 0.193 270 E C 2.106 178.771 176.600 0.109 0.000 0.988 270 E CA 1.642 58.146 56.400 0.174 0.000 0.804 270 E CB -0.027 29.756 29.700 0.139 0.000 0.745 270 E HN 0.256 nan 8.360 nan 0.000 0.458 271 T N 0.691 115.244 114.554 -0.002 0.000 2.737 271 T HA -0.111 4.242 4.350 0.005 0.000 0.265 271 T C 2.134 176.582 174.700 -0.420 0.000 1.038 271 T CA 1.030 62.938 62.100 -0.319 0.000 1.144 271 T CB -0.205 68.384 68.868 -0.465 0.000 0.866 271 T HN -0.027 nan 8.240 nan 0.000 0.434 272 V N 1.793 121.535 119.914 -0.286 0.000 2.343 272 V HA -0.163 3.960 4.120 0.005 0.000 0.247 272 V C 2.901 179.009 176.094 0.023 0.000 1.051 272 V CA 1.701 63.867 62.300 -0.222 0.000 1.036 272 V CB -1.210 30.571 31.823 -0.071 0.000 0.654 272 V HN 0.528 nan 8.190 nan 0.000 0.451 273 A N -0.424 122.567 122.820 0.285 0.000 1.902 273 A HA -0.157 4.167 4.320 0.005 0.000 0.217 273 A C 2.232 179.846 177.584 0.050 0.000 1.181 273 A CA 1.789 54.019 52.037 0.322 0.000 0.623 273 A CB -0.496 18.723 19.000 0.365 0.000 0.818 273 A HN 0.498 nan 8.150 nan 0.000 0.443 274 L N -0.753 120.482 121.223 0.019 0.000 2.027 274 L HA -0.139 4.204 4.340 0.005 0.000 0.206 274 L C 2.493 179.100 176.870 -0.439 0.000 1.074 274 L CA 1.253 56.075 54.840 -0.029 0.000 0.745 274 L CB -0.412 41.684 42.059 0.062 0.000 0.898 274 L HN 0.379 nan 8.230 nan 0.000 0.433 275 I N -0.402 119.828 120.570 -0.566 0.000 2.252 275 I HA -0.229 3.944 4.170 0.005 0.000 0.245 275 I C 2.718 178.165 176.117 -1.116 0.000 1.102 275 I CA 1.120 61.914 61.300 -0.844 0.000 1.385 275 I CB -0.419 37.129 38.000 -0.754 0.000 1.064 275 I HN 0.171 nan 8.210 nan 0.000 0.414 276 A N 0.811 123.013 122.820 -1.031 0.000 1.968 276 A HA -0.024 4.299 4.320 0.005 0.000 0.217 276 A C 2.388 179.313 177.584 -1.098 0.000 1.169 276 A CA 1.589 52.675 52.037 -1.586 0.000 0.638 276 A CB -1.214 16.963 19.000 -1.372 0.000 0.812 276 A HN 0.447 nan 8.150 nan 0.000 0.446 277 G N -0.331 107.923 108.800 -0.910 0.000 2.414 277 G HA2 0.066 4.029 3.960 0.005 0.000 0.215 277 G HA3 0.066 4.029 3.960 0.005 0.000 0.215 277 G C 1.558 175.774 174.900 -1.140 0.000 1.188 277 G CA 1.165 45.297 45.100 -1.613 0.000 0.783 277 G HN 0.649 nan 8.290 nan 0.000 0.537 278 G N -0.104 108.201 108.800 -0.826 0.000 2.446 278 G HA2 -0.196 3.767 3.960 0.005 0.000 0.217 278 G HA3 -0.196 3.767 3.960 0.005 0.000 0.217 278 G C 1.433 176.154 174.900 -0.298 0.000 1.168 278 G CA 0.887 45.793 45.100 -0.324 0.000 0.771 278 G HN 0.664 nan 8.290 nan 0.000 0.551 279 H N -0.169 118.363 119.070 -0.897 0.000 2.543 279 H HA 0.116 4.675 4.556 0.006 0.000 0.269 279 H C 2.021 176.877 175.328 -0.785 0.000 1.005 279 H CA 0.172 55.405 56.048 -1.358 0.000 1.146 279 H CB 0.354 28.886 29.762 -2.050 0.000 1.353 279 H HN 0.237 nan 8.280 nan 0.000 0.595 280 T N 0.425 114.648 114.554 -0.552 0.000 3.007 280 T HA -0.062 4.291 4.350 0.005 0.000 0.270 280 T C 0.063 174.414 174.700 -0.582 0.000 1.107 280 T CA 0.919 62.685 62.100 -0.557 0.000 1.118 280 T CB -0.059 68.317 68.868 -0.821 0.000 0.889 280 T HN 0.099 nan 8.240 nan 0.000 0.506 281 F N 0.077 120.009 119.950 -0.031 0.000 2.508 281 F HA 0.588 5.118 4.527 0.005 0.000 0.325 281 F C 1.128 177.052 175.800 0.205 0.000 1.090 281 F CA -0.519 57.510 58.000 0.049 0.000 0.945 281 F CB 1.580 40.598 39.000 0.030 0.000 1.156 281 F HN 0.213 nan 8.300 nan 0.000 0.463 282 G N 2.458 111.470 108.800 0.353 0.000 2.593 282 G HA2 -0.028 3.935 3.960 0.005 0.000 0.237 282 G HA3 -0.028 3.935 3.960 0.005 0.000 0.237 282 G C -1.134 174.045 174.900 0.465 0.000 1.312 282 G CA -0.118 45.239 45.100 0.428 0.000 0.896 282 G HN 1.034 nan 8.290 nan 0.000 0.574 283 K N -2.019 118.603 120.400 0.370 0.000 2.571 283 K HA 0.746 5.069 4.320 0.005 0.000 0.289 283 K C -0.052 176.422 176.600 -0.210 0.000 1.028 283 K CA -0.138 56.108 56.287 -0.068 0.000 0.895 283 K CB 1.215 33.655 32.500 -0.100 0.000 1.534 283 K HN 1.465 nan 8.250 nan 0.000 0.421 284 T N -1.506 112.761 114.554 -0.479 0.000 2.897 284 T HA 0.466 4.819 4.350 0.005 0.000 0.278 284 T C -0.751 173.561 174.700 -0.646 0.000 0.981 284 T CA -0.392 61.505 62.100 -0.339 0.000 0.973 284 T CB 0.627 69.355 68.868 -0.234 0.000 1.092 284 T HN 0.646 nan 8.240 nan 0.000 0.543 285 H N -1.133 117.925 119.070 -0.019 0.000 2.906 285 H HA 0.609 5.168 4.556 0.005 0.000 0.324 285 H C 0.262 175.568 175.328 -0.036 0.000 0.973 285 H CA -0.593 55.448 56.048 -0.012 0.000 1.321 285 H CB 1.569 31.366 29.762 0.057 0.000 1.535 285 H HN 1.052 nan 8.280 nan 0.000 0.518 286 G N 1.327 110.118 108.800 -0.014 0.000 4.341 286 G HA2 0.411 4.374 3.960 0.005 0.000 0.251 286 G HA3 0.411 4.374 3.960 0.005 0.000 0.251 286 G C 0.724 175.556 174.900 -0.113 0.000 1.036 286 G CA 0.094 45.160 45.100 -0.057 0.000 0.708 286 G HN 0.720 nan 8.290 nan 0.000 0.510 287 A N -0.263 122.499 122.820 -0.096 0.000 2.066 287 A HA 0.619 4.942 4.320 0.005 0.000 0.218 287 A C 1.404 178.734 177.584 -0.424 0.000 1.157 287 A CA 1.412 53.378 52.037 -0.119 0.000 0.670 287 A CB 0.142 19.191 19.000 0.081 0.000 0.804 287 A HN 1.279 nan 8.150 nan 0.000 0.453 288 G N -2.172 106.220 108.800 -0.679 0.000 2.687 288 G HA2 0.518 4.481 3.960 0.005 0.000 0.291 288 G HA3 0.518 4.481 3.960 0.005 0.000 0.291 288 G C -3.447 171.160 174.900 -0.489 0.000 1.420 288 G CA -1.356 43.146 45.100 -0.997 0.000 0.796 288 G HN -0.100 nan 8.290 nan 0.000 0.485 289 P HA 0.210 nan 4.420 nan 0.000 0.265 289 P C 0.695 177.928 177.300 -0.113 0.000 1.187 289 P CA 0.603 63.603 63.100 -0.167 0.000 0.766 289 P CB 1.072 32.712 31.700 -0.100 0.000 0.820 290 A N 2.615 125.395 122.820 -0.068 0.000 2.119 290 A HA -0.104 4.219 4.320 0.005 0.000 0.217 290 A C 2.010 179.599 177.584 0.009 0.000 1.153 290 A CA 1.484 53.507 52.037 -0.024 0.000 0.692 290 A CB -1.364 17.625 19.000 -0.018 0.000 0.799 290 A HN 0.583 nan 8.150 nan 0.000 0.458 291 S N 0.741 116.443 115.700 0.003 0.000 2.465 291 S HA -0.177 4.297 4.470 0.005 0.000 0.241 291 S C 1.489 176.114 174.600 0.042 0.000 1.000 291 S CA 1.179 59.392 58.200 0.022 0.000 0.964 291 S CB -0.661 62.547 63.200 0.015 0.000 0.763 291 S HN 0.609 nan 8.310 nan 0.000 0.512 292 N N 1.274 120.003 118.700 0.048 0.000 2.381 292 N HA 0.020 4.763 4.740 0.005 0.000 0.182 292 N C -0.004 175.566 175.510 0.100 0.000 1.025 292 N CA 0.570 53.672 53.050 0.088 0.000 0.888 292 N CB -0.190 38.376 38.487 0.131 0.000 0.965 292 N HN 0.330 nan 8.380 nan 0.000 0.438 293 V N 1.007 120.979 119.914 0.097 0.000 2.432 293 V HA 0.384 4.507 4.120 0.005 0.000 0.275 293 V C 1.106 177.274 176.094 0.123 0.000 1.043 293 V CA -0.664 61.717 62.300 0.136 0.000 0.925 293 V CB 1.081 33.000 31.823 0.161 0.000 0.985 293 V HN 0.091 nan 8.190 nan 0.000 0.466 294 G N 2.978 111.843 108.800 0.109 0.000 2.543 294 G HA2 0.591 4.554 3.960 0.005 0.000 0.267 294 G HA3 0.591 4.554 3.960 0.005 0.000 0.267 294 G C 0.200 175.089 174.900 -0.019 0.000 1.406 294 G CA -0.224 44.902 45.100 0.043 0.000 1.048 294 G HN 1.073 nan 8.290 nan 0.000 0.548 295 A N 0.061 122.826 122.820 -0.091 0.000 2.540 295 A HA 0.375 4.698 4.320 0.005 0.000 0.239 295 A C 1.013 178.326 177.584 -0.451 0.000 1.061 295 A CA 0.025 51.949 52.037 -0.188 0.000 0.758 295 A CB -0.084 18.825 19.000 -0.152 0.000 0.991 295 A HN 0.733 nan 8.150 nan 0.000 0.502 296 E N 2.956 122.793 120.200 -0.605 0.000 2.425 296 E HA 0.032 4.386 4.350 0.005 0.000 0.258 296 E C -2.129 173.971 176.600 -0.833 0.000 1.151 296 E CA -1.021 54.684 56.400 -1.159 0.000 0.958 296 E CB -0.427 28.814 29.700 -0.765 0.000 0.968 296 E HN 0.343 nan 8.360 nan 0.000 0.451 297 P HA -0.177 nan 4.420 nan 0.000 0.215 297 P C 0.972 178.072 177.300 -0.333 0.000 1.157 297 P CA 1.481 64.250 63.100 -0.553 0.000 0.874 297 P CB 0.167 31.571 31.700 -0.493 0.000 0.790 298 E N -1.174 118.862 120.200 -0.273 0.000 2.418 298 E HA -0.009 4.344 4.350 0.005 0.000 0.197 298 E C 1.641 178.169 176.600 -0.119 0.000 1.026 298 E CA 0.856 57.169 56.400 -0.145 0.000 0.862 298 E CB -0.339 29.320 29.700 -0.069 0.000 0.799 298 E HN 0.222 nan 8.360 nan 0.000 0.518 299 A N 0.506 123.231 122.820 -0.158 0.000 2.303 299 A HA 0.444 4.767 4.320 0.005 0.000 0.217 299 A C 1.212 178.719 177.584 -0.128 0.000 1.205 299 A CA 0.322 52.290 52.037 -0.115 0.000 0.875 299 A CB 0.261 19.205 19.000 -0.095 0.000 0.910 299 A HN 0.141 nan 8.150 nan 0.000 0.501 300 A N 0.042 122.759 122.820 -0.172 0.000 2.313 300 A HA 0.553 4.876 4.320 0.005 0.000 0.261 300 A C 0.976 178.495 177.584 -0.108 0.000 1.090 300 A CA 0.187 52.134 52.037 -0.150 0.000 0.807 300 A CB -0.359 18.527 19.000 -0.191 0.000 1.055 300 A HN 0.818 nan 8.150 nan 0.000 0.492 301 G N -0.880 107.869 108.800 -0.086 0.000 2.636 301 G HA2 0.344 4.308 3.960 0.005 0.000 0.246 301 G HA3 0.344 4.308 3.960 0.005 0.000 0.246 301 G C 0.848 175.702 174.900 -0.076 0.000 1.216 301 G CA -0.182 44.877 45.100 -0.069 0.000 0.854 301 G HN 0.793 nan 8.290 nan 0.000 0.572 302 I N 0.150 120.681 120.570 -0.064 0.000 2.454 302 I HA -0.138 4.035 4.170 0.005 0.000 0.254 302 I C 2.789 178.864 176.117 -0.069 0.000 1.156 302 I CA 1.445 62.706 61.300 -0.066 0.000 1.433 302 I CB 0.032 38.000 38.000 -0.052 0.000 1.082 302 I HN 0.772 nan 8.210 nan 0.000 0.432 303 E N 1.354 121.518 120.200 -0.061 0.000 2.268 303 E HA -0.185 4.168 4.350 0.005 0.000 0.195 303 E C 1.829 178.385 176.600 -0.074 0.000 0.995 303 E CA 1.193 57.558 56.400 -0.059 0.000 0.836 303 E CB -0.333 29.340 29.700 -0.045 0.000 0.763 303 E HN 0.486 nan 8.360 nan 0.000 0.491 304 A N 0.955 123.725 122.820 -0.084 0.000 2.172 304 A HA -0.117 4.206 4.320 0.005 0.000 0.216 304 A C 0.867 178.374 177.584 -0.128 0.000 1.154 304 A CA 0.725 52.701 52.037 -0.102 0.000 0.701 304 A CB -0.229 18.703 19.000 -0.113 0.000 0.789 304 A HN 0.198 nan 8.150 nan 0.000 0.465 305 Q N -2.596 117.130 119.800 -0.123 0.000 2.451 305 Q HA -0.246 4.097 4.340 0.005 0.000 0.305 305 Q C 0.908 176.806 176.000 -0.170 0.000 1.345 305 Q CA 1.352 57.071 55.803 -0.141 0.000 0.854 305 Q CB -2.396 26.257 28.738 -0.143 0.000 1.162 305 Q HN 1.775 nan 8.270 nan 0.000 0.440 306 G N -1.509 107.190 108.800 -0.168 0.000 2.176 306 G HA2 -0.300 3.663 3.960 0.005 0.000 0.253 306 G HA3 -0.300 3.663 3.960 0.005 0.000 0.253 306 G C 0.193 174.969 174.900 -0.206 0.000 0.979 306 G CA 0.381 45.367 45.100 -0.191 0.000 0.641 306 G HN 0.317 nan 8.290 nan 0.000 0.530 307 L N -0.098 121.009 121.223 -0.194 0.000 2.358 307 L HA 0.824 5.167 4.340 0.005 0.000 0.268 307 L C 1.003 177.739 176.870 -0.223 0.000 1.032 307 L CA -0.364 54.367 54.840 -0.182 0.000 0.805 307 L CB 1.686 43.656 42.059 -0.148 0.000 1.253 307 L HN 0.273 nan 8.230 nan 0.000 0.452 308 G N -1.944 106.711 108.800 -0.242 0.000 2.975 308 G HA2 0.409 4.373 3.960 0.005 0.000 0.291 308 G HA3 0.409 4.373 3.960 0.005 0.000 0.291 308 G C -1.267 173.579 174.900 -0.089 0.000 1.334 308 G CA -0.451 44.411 45.100 -0.396 0.000 0.843 308 G HN 0.714 nan 8.290 nan 0.000 0.548 309 W N 0.060 121.312 121.300 -0.079 0.000 5.121 309 W HA -0.165 4.498 4.660 0.005 0.000 0.372 309 W C 0.766 177.281 176.519 -0.006 0.000 1.394 309 W CA 0.825 58.139 57.345 -0.052 0.000 0.885 309 W CB -1.171 28.242 29.460 -0.078 0.000 2.520 309 W HN 0.595 nan 8.180 nan 0.000 1.455 310 K N 1.603 122.083 120.400 0.134 0.000 2.484 310 K HA 0.168 4.492 4.320 0.005 0.000 0.280 310 K C 0.522 177.211 176.600 0.148 0.000 1.013 310 K CA 0.619 56.984 56.287 0.130 0.000 1.029 310 K CB 0.630 33.167 32.500 0.061 0.000 0.902 310 K HN -0.025 nan 8.250 nan 0.000 0.481 311 S N 2.914 118.720 115.700 0.176 0.000 2.478 311 S HA 0.478 4.951 4.470 0.005 0.000 0.312 311 S C 0.280 174.964 174.600 0.140 0.000 1.094 311 S CA -0.470 57.833 58.200 0.172 0.000 1.081 311 S CB 1.573 64.903 63.200 0.216 0.000 1.007 311 S HN 0.670 nan 8.310 nan 0.000 0.475 312 A N 4.197 127.092 122.820 0.125 0.000 2.251 312 A HA 0.207 4.530 4.320 0.005 0.000 0.209 312 A C 0.179 177.829 177.584 0.110 0.000 1.187 312 A CA 0.040 52.132 52.037 0.092 0.000 0.823 312 A CB -0.403 18.643 19.000 0.076 0.000 0.846 312 A HN 0.848 nan 8.150 nan 0.000 0.486 313 Y N 2.130 122.446 120.300 0.027 0.000 2.539 313 Y HA 0.372 4.925 4.550 0.005 0.000 0.352 313 Y C 0.981 176.877 175.900 -0.006 0.000 1.004 313 Y CA -0.531 57.575 58.100 0.010 0.000 1.278 313 Y CB -0.347 38.119 38.460 0.010 0.000 1.136 313 Y HN 0.548 nan 8.280 nan 0.000 0.528 314 R N 0.488 120.669 120.500 -0.530 0.000 3.853 314 R HA -0.327 4.016 4.340 0.005 0.000 0.440 314 R C 1.516 177.682 176.300 -0.224 0.000 0.241 314 R CA 2.312 58.131 56.100 -0.468 0.000 1.395 314 R CB -1.714 28.152 30.300 -0.723 0.000 0.984 314 R HN 0.763 nan 8.270 nan 0.000 0.570 315 T N -0.519 113.915 114.554 -0.201 0.000 3.113 315 T HA 0.154 4.507 4.350 0.005 0.000 0.263 315 T C 1.426 176.094 174.700 -0.054 0.000 1.143 315 T CA 1.343 63.371 62.100 -0.120 0.000 1.090 315 T CB 0.034 68.809 68.868 -0.154 0.000 0.922 315 T HN 1.255 nan 8.240 nan 0.000 0.521 316 G N 1.859 110.648 108.800 -0.019 0.000 2.168 316 G HA2 -0.285 3.678 3.960 0.005 0.000 0.263 316 G HA3 -0.285 3.678 3.960 0.005 0.000 0.263 316 G C -0.037 174.919 174.900 0.094 0.000 0.977 316 G CA 0.733 45.887 45.100 0.089 0.000 0.659 316 G HN 1.051 nan 8.290 nan 0.000 0.533 317 K N -2.471 117.863 120.400 -0.110 0.000 2.614 317 K HA 0.626 4.949 4.320 0.005 0.000 0.293 317 K C 1.146 177.393 176.600 -0.588 0.000 1.045 317 K CA -0.053 55.960 56.287 -0.457 0.000 0.880 317 K CB 0.762 33.053 32.500 -0.348 0.000 1.552 317 K HN 1.720 nan 8.250 nan 0.000 0.404 318 G N 0.735 109.015 108.800 -0.866 0.000 2.651 318 G HA2 -0.449 3.515 3.960 0.005 0.000 0.315 318 G HA3 -0.449 3.515 3.960 0.005 0.000 0.315 318 G C 1.103 175.538 174.900 -0.774 0.000 1.258 318 G CA 1.983 46.517 45.100 -0.943 0.000 1.002 318 G HN 1.350 nan 8.290 nan 0.000 0.551 319 A N -0.801 121.309 122.820 -1.183 0.000 2.076 319 A HA 0.076 4.400 4.320 0.005 0.000 0.220 319 A C 1.813 179.303 177.584 -0.157 0.000 1.160 319 A CA 2.476 54.258 52.037 -0.426 0.000 0.653 319 A CB -0.335 18.450 19.000 -0.358 0.000 0.801 319 A HN 0.597 nan 8.150 nan 0.000 0.455 320 D N 0.020 120.310 120.400 -0.183 0.000 2.339 320 D HA 0.307 4.950 4.640 0.005 0.000 0.217 320 D C 0.788 177.148 176.300 0.100 0.000 1.050 320 D CA 0.643 54.665 54.000 0.036 0.000 0.856 320 D CB -0.260 40.515 40.800 -0.042 0.000 0.922 320 D HN 0.430 nan 8.370 nan 0.000 0.518 321 A N 0.941 123.748 122.820 -0.023 0.000 2.565 321 A HA 0.203 4.526 4.320 0.005 0.000 0.237 321 A C 0.263 177.942 177.584 0.159 0.000 1.053 321 A CA 0.385 52.444 52.037 0.038 0.000 0.755 321 A CB -0.062 18.878 19.000 -0.100 0.000 0.980 321 A HN 0.191 nan 8.150 nan 0.000 0.506 322 I N 2.731 123.409 120.570 0.179 0.000 2.439 322 I HA 0.320 4.493 4.170 0.005 0.000 0.285 322 I C 0.592 176.777 176.117 0.113 0.000 1.021 322 I CA -0.238 61.136 61.300 0.122 0.000 1.091 322 I CB 2.215 40.249 38.000 0.057 0.000 1.242 322 I HN 0.782 nan 8.210 nan 0.000 0.439 323 T N 1.320 115.929 114.554 0.091 0.000 3.447 323 T HA -0.016 4.337 4.350 0.005 0.000 0.218 323 T C 1.536 176.200 174.700 -0.060 0.000 0.972 323 T CA 0.792 62.879 62.100 -0.022 0.000 1.264 323 T CB 0.061 68.953 68.868 0.040 0.000 1.284 323 T HN 0.625 nan 8.240 nan 0.000 0.361 324 S N 0.387 116.094 115.700 0.012 0.000 2.503 324 S HA 0.400 4.873 4.470 0.005 0.000 0.217 324 S C 1.884 176.481 174.600 -0.004 0.000 0.999 324 S CA 0.898 59.101 58.200 0.005 0.000 0.914 324 S CB 0.100 63.334 63.200 0.057 0.000 0.782 324 S HN 0.983 nan 8.310 nan 0.000 0.520 325 G N 0.657 109.452 108.800 -0.009 0.000 2.195 325 G HA2 -0.204 3.759 3.960 0.005 0.000 0.246 325 G HA3 -0.204 3.759 3.960 0.005 0.000 0.246 325 G C -0.102 174.764 174.900 -0.055 0.000 0.984 325 G CA 0.175 45.251 45.100 -0.040 0.000 0.633 325 G HN 0.499 nan 8.290 nan 0.000 0.525 326 L N 0.147 121.345 121.223 -0.041 0.000 2.399 326 L HA 0.762 5.106 4.340 0.005 0.000 0.265 326 L C 0.357 177.154 176.870 -0.122 0.000 1.089 326 L CA -0.766 54.032 54.840 -0.069 0.000 0.802 326 L CB 1.595 43.632 42.059 -0.037 0.000 1.180 326 L HN 0.119 nan 8.230 nan 0.000 0.454 327 E N 1.523 121.625 120.200 -0.163 0.000 2.675 327 E HA 0.467 4.820 4.350 0.005 0.000 0.236 327 E C -1.783 174.644 176.600 -0.288 0.000 1.059 327 E CA -0.190 56.076 56.400 -0.224 0.000 0.775 327 E CB 1.062 30.647 29.700 -0.191 0.000 1.356 327 E HN 0.224 nan 8.360 nan 0.000 0.403 328 V N 2.978 122.646 119.914 -0.410 0.000 2.638 328 V HA 0.594 4.717 4.120 0.005 0.000 0.306 328 V C -0.494 175.142 176.094 -0.764 0.000 1.052 328 V CA -0.692 61.270 62.300 -0.563 0.000 0.885 328 V CB 2.396 33.836 31.823 -0.638 0.000 0.999 328 V HN 0.592 nan 8.190 nan 0.000 0.424 329 T N 4.075 118.275 114.554 -0.590 0.000 2.840 329 T HA 0.320 4.674 4.350 0.005 0.000 0.287 329 T C 0.393 174.901 174.700 -0.320 0.000 0.991 329 T CA -0.430 61.402 62.100 -0.446 0.000 0.964 329 T CB 1.152 69.960 68.868 -0.100 0.000 0.954 329 T HN 0.725 nan 8.240 nan 0.000 0.438 330 W N 2.439 123.726 121.300 -0.022 0.000 2.523 330 W HA 0.058 4.721 4.660 0.006 0.000 0.278 330 W C 1.322 177.822 176.519 -0.032 0.000 1.236 330 W CA 0.356 57.690 57.345 -0.018 0.000 1.306 330 W CB -0.233 29.276 29.460 0.081 0.000 1.101 330 W HN 0.616 nan 8.180 nan 0.000 0.577 331 T N -3.568 111.079 114.554 0.154 0.000 2.901 331 T HA 0.280 4.633 4.350 0.005 0.000 0.293 331 T C 0.950 175.638 174.700 -0.019 0.000 1.084 331 T CA 0.008 62.135 62.100 0.045 0.000 1.008 331 T CB 2.229 71.076 68.868 -0.034 0.000 1.170 331 T HN -0.063 nan 8.240 nan 0.000 0.509 332 T N -1.540 112.999 114.554 -0.026 0.000 3.072 332 T HA 0.126 4.479 4.350 0.005 0.000 0.266 332 T C 0.974 175.621 174.700 -0.088 0.000 1.127 332 T CA 0.895 62.975 62.100 -0.033 0.000 1.107 332 T CB -0.742 68.121 68.868 -0.009 0.000 0.910 332 T HN 1.096 nan 8.240 nan 0.000 0.513 333 T N -1.127 113.344 114.554 -0.138 0.000 3.305 333 T HA 0.480 4.833 4.350 0.005 0.000 0.348 333 T C -2.695 171.852 174.700 -0.255 0.000 1.394 333 T CA -1.435 60.555 62.100 -0.182 0.000 1.549 333 T CB 1.573 70.362 68.868 -0.132 0.000 0.962 333 T HN -0.125 nan 8.240 nan 0.000 0.609 334 P HA -0.029 nan 4.420 nan 0.000 0.228 334 P C 1.308 178.448 177.300 -0.266 0.000 1.151 334 P CA 0.983 63.803 63.100 -0.467 0.000 0.770 334 P CB -0.009 31.050 31.700 -1.069 0.000 0.786 335 T N -5.732 108.670 114.554 -0.253 0.000 3.182 335 T HA 0.293 4.646 4.350 0.005 0.000 0.277 335 T C 0.262 174.954 174.700 -0.014 0.000 1.013 335 T CA -0.352 61.661 62.100 -0.144 0.000 0.900 335 T CB -0.262 68.474 68.868 -0.219 0.000 1.098 335 T HN 0.054 nan 8.240 nan 0.000 0.543 336 Q N 0.448 120.276 119.800 0.047 0.000 2.315 336 Q HA 0.314 4.658 4.340 0.005 0.000 0.273 336 Q C -1.258 174.807 176.000 0.109 0.000 1.053 336 Q CA -0.956 54.933 55.803 0.143 0.000 0.817 336 Q CB 2.003 30.770 28.738 0.048 0.000 1.326 336 Q HN 0.522 nan 8.270 nan 0.000 0.423 337 W N 3.471 124.846 121.300 0.124 0.000 2.343 337 W HA 0.129 4.792 4.660 0.005 0.000 0.337 337 W C -0.588 175.853 176.519 -0.130 0.000 1.320 337 W CA 1.205 58.530 57.345 -0.034 0.000 1.290 337 W CB 0.616 30.234 29.460 0.265 0.000 1.206 337 W HN 0.793 nan 8.180 nan 0.000 0.565 338 S N 3.440 118.537 115.700 -1.005 0.000 2.752 338 S HA 0.359 4.832 4.470 0.005 0.000 0.284 338 S C -0.758 173.273 174.600 -0.948 0.000 1.189 338 S CA -0.881 56.804 58.200 -0.858 0.000 0.835 338 S CB 1.842 64.772 63.200 -0.450 0.000 1.192 338 S HN 0.625 nan 8.310 nan 0.000 0.506 339 H N 0.027 118.886 119.070 -0.351 0.000 2.486 339 H HA 0.428 4.987 4.556 0.006 0.000 0.284 339 H C 1.353 176.683 175.328 0.002 0.000 1.103 339 H CA -0.291 55.693 56.048 -0.107 0.000 1.089 339 H CB 0.037 29.838 29.762 0.064 0.000 1.603 339 H HN 0.628 nan 8.280 nan 0.000 0.557 340 N N 0.613 119.297 118.700 -0.027 0.000 2.457 340 N HA -0.126 4.618 4.740 0.005 0.000 0.180 340 N C 1.434 176.964 175.510 0.033 0.000 1.050 340 N CA 0.222 53.282 53.050 0.017 0.000 0.906 340 N CB 0.129 38.593 38.487 -0.039 0.000 0.968 340 N HN 0.275 nan 8.380 nan 0.000 0.445 341 F N 0.856 120.700 119.950 -0.177 0.000 2.069 341 F HA -0.141 4.389 4.527 0.005 0.000 0.298 341 F C 1.599 177.231 175.800 -0.280 0.000 1.113 341 F CA 1.646 59.469 58.000 -0.293 0.000 1.214 341 F CB -0.450 38.221 39.000 -0.549 0.000 0.978 341 F HN -0.038 nan 8.300 nan 0.000 0.474 342 F N 0.643 120.636 119.950 0.072 0.000 2.259 342 F HA -0.110 4.420 4.527 0.005 0.000 0.298 342 F C 2.309 177.977 175.800 -0.220 0.000 1.088 342 F CA 1.133 59.080 58.000 -0.089 0.000 1.358 342 F CB -0.494 38.533 39.000 0.046 0.000 1.040 342 F HN 0.009 nan 8.300 nan 0.000 0.505 343 E N 0.387 120.654 120.200 0.112 0.000 2.058 343 E HA -0.224 4.129 4.350 0.005 0.000 0.194 343 E C 1.831 178.462 176.600 0.051 0.000 0.997 343 E CA 1.445 57.907 56.400 0.104 0.000 0.801 343 E CB -0.208 29.598 29.700 0.177 0.000 0.746 343 E HN 0.358 nan 8.360 nan 0.000 0.450 344 N N 0.726 119.478 118.700 0.086 0.000 2.106 344 N HA -0.133 4.610 4.740 0.005 0.000 0.188 344 N C 1.879 177.579 175.510 0.317 0.000 1.029 344 N CA 0.569 53.789 53.050 0.284 0.000 0.848 344 N CB -0.437 38.229 38.487 0.299 0.000 1.007 344 N HN 0.062 nan 8.380 nan 0.000 0.423 345 L N 0.193 121.374 121.223 -0.069 0.000 1.990 345 L HA -0.096 4.247 4.340 0.005 0.000 0.213 345 L C 1.723 178.535 176.870 -0.096 0.000 1.072 345 L CA 1.710 56.414 54.840 -0.227 0.000 0.755 345 L CB -0.648 40.992 42.059 -0.698 0.000 0.889 345 L HN 0.067 nan 8.230 nan 0.000 0.432 346 F N -1.201 118.727 119.950 -0.037 0.000 2.569 346 F HA 0.133 4.663 4.527 0.005 0.000 0.295 346 F C 2.279 178.037 175.800 -0.070 0.000 1.115 346 F CA 0.534 58.484 58.000 -0.082 0.000 1.450 346 F CB -0.566 38.298 39.000 -0.226 0.000 1.107 346 F HN 0.176 nan 8.300 nan 0.000 0.563 347 G N -1.058 107.765 108.800 0.038 0.000 2.484 347 G HA2 -0.084 3.879 3.960 0.005 0.000 0.218 347 G HA3 -0.084 3.879 3.960 0.005 0.000 0.218 347 G C -0.023 174.574 174.900 -0.505 0.000 1.130 347 G CA 0.442 45.389 45.100 -0.255 0.000 0.784 347 G HN 0.250 nan 8.290 nan 0.000 0.543 348 Y N -0.728 119.476 120.300 -0.160 0.000 2.630 348 Y HA 0.587 5.140 4.550 0.005 0.000 0.337 348 Y C -0.004 175.601 175.900 -0.491 0.000 1.051 348 Y CA -1.320 56.530 58.100 -0.417 0.000 1.121 348 Y CB 1.433 39.398 38.460 -0.826 0.000 1.299 348 Y HN -0.186 nan 8.280 nan 0.000 0.498 349 E N 0.374 120.414 120.200 -0.267 0.000 2.227 349 E HA 0.235 4.588 4.350 0.005 0.000 0.268 349 E C -1.625 174.746 176.600 -0.381 0.000 0.990 349 E CA -0.625 55.674 56.400 -0.168 0.000 0.856 349 E CB 1.345 31.047 29.700 0.003 0.000 1.159 349 E HN 0.544 nan 8.360 nan 0.000 0.401 350 W N 0.591 122.004 121.300 0.189 0.000 2.666 350 W HA 0.362 5.025 4.660 0.006 0.000 0.334 350 W C 0.263 177.006 176.519 0.372 0.000 1.051 350 W CA -0.628 56.864 57.345 0.246 0.000 1.224 350 W CB 1.387 30.956 29.460 0.182 0.000 1.405 350 W HN 0.375 nan 8.180 nan 0.000 0.513 351 E N 2.434 122.990 120.200 0.594 0.000 2.222 351 E HA 0.447 4.801 4.350 0.005 0.000 0.267 351 E C -1.626 175.055 176.600 0.136 0.000 0.884 351 E CA -1.068 55.541 56.400 0.347 0.000 0.764 351 E CB 1.710 31.494 29.700 0.139 0.000 1.169 351 E HN 0.441 nan 8.360 nan 0.000 0.413 352 L N 3.803 124.838 121.223 -0.313 0.000 2.367 352 L HA 0.412 4.756 4.340 0.005 0.000 0.275 352 L C -0.293 176.327 176.870 -0.417 0.000 1.129 352 L CA 0.892 55.196 54.840 -0.894 0.000 0.839 352 L CB 1.170 42.658 42.059 -0.951 0.000 1.133 352 L HN 0.732 nan 8.230 nan 0.000 0.453 353 T N 3.819 118.149 114.554 -0.374 0.000 2.647 353 T HA 0.540 4.894 4.350 0.005 0.000 0.295 353 T C -1.271 173.338 174.700 -0.151 0.000 1.126 353 T CA -0.701 61.288 62.100 -0.184 0.000 1.040 353 T CB 1.055 69.861 68.868 -0.104 0.000 1.472 353 T HN 0.619 nan 8.240 nan 0.000 0.500 354 K N 1.302 121.635 120.400 -0.111 0.000 2.371 354 K HA 0.586 4.909 4.320 0.005 0.000 0.251 354 K C -0.292 176.244 176.600 -0.108 0.000 0.934 354 K CA -0.762 55.455 56.287 -0.117 0.000 0.798 354 K CB 1.903 34.331 32.500 -0.121 0.000 1.204 354 K HN 0.746 nan 8.250 nan 0.000 0.427 355 S N 1.593 117.224 115.700 -0.115 0.000 2.596 355 S HA 0.158 4.631 4.470 0.005 0.000 0.260 355 S C -1.773 172.758 174.600 -0.115 0.000 1.336 355 S CA -0.832 57.299 58.200 -0.114 0.000 0.993 355 S CB 0.624 63.754 63.200 -0.115 0.000 0.923 355 S HN 0.351 nan 8.310 nan 0.000 0.567 356 P HA 0.004 nan 4.420 nan 0.000 0.220 356 P C 1.005 178.214 177.300 -0.151 0.000 1.144 356 P CA 1.613 64.636 63.100 -0.128 0.000 0.800 356 P CB -0.175 31.438 31.700 -0.144 0.000 0.772 357 A N -1.408 121.322 122.820 -0.150 0.000 2.251 357 A HA 0.449 4.772 4.320 0.005 0.000 0.209 357 A C 1.648 179.157 177.584 -0.124 0.000 1.187 357 A CA 0.787 52.738 52.037 -0.143 0.000 0.823 357 A CB -0.975 17.950 19.000 -0.125 0.000 0.846 357 A HN 0.240 nan 8.150 nan 0.000 0.486 358 G N -2.167 106.554 108.800 -0.132 0.000 2.157 358 G HA2 0.129 4.092 3.960 0.005 0.000 0.239 358 G HA3 0.129 4.092 3.960 0.005 0.000 0.239 358 G C 0.337 175.109 174.900 -0.214 0.000 0.982 358 G CA 0.203 45.212 45.100 -0.151 0.000 0.650 358 G HN 1.523 nan 8.290 nan 0.000 0.527 359 A N 0.647 123.355 122.820 -0.186 0.000 2.304 359 A HA 0.691 5.014 4.320 0.005 0.000 0.301 359 A C 0.405 177.861 177.584 -0.212 0.000 1.132 359 A CA -0.531 51.385 52.037 -0.202 0.000 0.819 359 A CB 0.336 19.278 19.000 -0.096 0.000 1.094 359 A HN 0.414 nan 8.150 nan 0.000 0.492 360 H N 1.377 120.406 119.070 -0.069 0.000 2.764 360 H HA 0.344 4.903 4.556 0.005 0.000 0.341 360 H C 0.314 175.578 175.328 -0.106 0.000 1.072 360 H CA 0.882 56.855 56.048 -0.125 0.000 1.444 360 H CB 0.654 30.352 29.762 -0.106 0.000 1.458 360 H HN 0.784 nan 8.280 nan 0.000 0.572 361 Q N 1.454 121.198 119.800 -0.093 0.000 2.738 361 Q HA 0.370 4.713 4.340 0.005 0.000 0.301 361 Q C -1.878 173.975 176.000 -0.245 0.000 0.901 361 Q CA -1.076 54.704 55.803 -0.038 0.000 0.756 361 Q CB 1.517 30.251 28.738 -0.005 0.000 1.463 361 Q HN 0.426 nan 8.270 nan 0.000 0.432 362 W N 0.430 121.741 121.300 0.019 0.000 2.761 362 W HA 0.746 5.409 4.660 0.006 0.000 0.340 362 W C -1.051 175.595 176.519 0.212 0.000 1.072 362 W CA -0.744 56.667 57.345 0.109 0.000 1.215 362 W CB 2.220 31.722 29.460 0.070 0.000 1.420 362 W HN 0.512 nan 8.180 nan 0.000 0.519 363 V N 2.494 122.703 119.914 0.491 0.000 2.823 363 V HA 0.830 4.953 4.120 0.005 0.000 0.312 363 V C -0.498 175.729 176.094 0.222 0.000 1.072 363 V CA -1.131 61.365 62.300 0.327 0.000 0.937 363 V CB 1.613 33.495 31.823 0.098 0.000 1.013 363 V HN 0.668 nan 8.190 nan 0.000 0.430 364 A N 5.808 128.514 122.820 -0.190 0.000 2.451 364 A HA 0.400 4.723 4.320 0.005 0.000 0.266 364 A C 0.265 177.602 177.584 -0.411 0.000 1.119 364 A CA -0.127 51.405 52.037 -0.842 0.000 0.786 364 A CB -0.180 17.978 19.000 -1.403 0.000 1.061 364 A HN 0.831 nan 8.150 nan 0.000 0.503 365 K N 1.766 121.988 120.400 -0.297 0.000 2.416 365 K HA 0.288 4.612 4.320 0.005 0.000 0.283 365 K C 1.221 177.773 176.600 -0.081 0.000 1.037 365 K CA 0.946 57.162 56.287 -0.119 0.000 0.995 365 K CB 0.348 32.810 32.500 -0.063 0.000 0.938 365 K HN 1.328 nan 8.250 nan 0.000 0.475 366 G N 1.815 110.582 108.800 -0.055 0.000 2.187 366 G HA2 -0.349 3.614 3.960 0.005 0.000 0.261 366 G HA3 -0.349 3.614 3.960 0.005 0.000 0.261 366 G C 0.282 175.174 174.900 -0.014 0.000 1.000 366 G CA 0.441 45.526 45.100 -0.025 0.000 0.718 366 G HN 0.824 nan 8.290 nan 0.000 0.519 367 A N -0.263 122.511 122.820 -0.076 0.000 2.386 367 A HA 0.527 4.850 4.320 0.005 0.000 0.248 367 A C 0.526 178.089 177.584 -0.036 0.000 1.082 367 A CA 0.006 52.005 52.037 -0.063 0.000 0.789 367 A CB 0.419 19.182 19.000 -0.394 0.000 1.025 367 A HN 0.296 nan 8.150 nan 0.000 0.490 368 D N 0.740 121.146 120.400 0.011 0.000 2.382 368 D HA 0.332 4.975 4.640 0.005 0.000 0.240 368 D C 0.547 176.835 176.300 -0.020 0.000 1.146 368 D CA 0.817 54.817 54.000 -0.000 0.000 0.897 368 D CB 0.818 41.631 40.800 0.022 0.000 1.197 368 D HN 0.625 nan 8.370 nan 0.000 0.432 369 A N 1.630 124.437 122.820 -0.021 0.000 2.899 369 A HA 0.215 4.538 4.320 0.005 0.000 0.287 369 A C 1.168 178.743 177.584 -0.015 0.000 1.715 369 A CA -0.343 51.679 52.037 -0.025 0.000 1.393 369 A CB -0.780 18.190 19.000 -0.049 0.000 1.070 369 A HN 0.407 nan 8.150 nan 0.000 0.587 370 V N 0.344 120.260 119.914 0.003 0.000 3.643 370 V HA 0.306 4.429 4.120 0.005 0.000 0.280 370 V C 0.446 176.556 176.094 0.027 0.000 1.351 370 V CA -0.119 62.191 62.300 0.017 0.000 1.073 370 V CB -0.499 31.347 31.823 0.040 0.000 0.863 370 V HN 0.533 nan 8.190 nan 0.000 0.436 371 I N 3.965 124.562 120.570 0.045 0.000 2.342 371 I HA 0.456 4.629 4.170 0.005 0.000 0.291 371 I C -2.334 173.855 176.117 0.120 0.000 1.010 371 I CA -2.455 58.892 61.300 0.078 0.000 1.308 371 I CB 1.059 39.118 38.000 0.099 0.000 1.400 371 I HN 0.128 nan 8.210 nan 0.000 0.488 372 P HA 0.146 nan 4.420 nan 0.000 0.274 372 P C -0.681 176.824 177.300 0.341 0.000 1.231 372 P CA -0.306 62.902 63.100 0.179 0.000 0.790 372 P CB 1.048 32.852 31.700 0.173 0.000 0.951 373 D N 0.203 120.735 120.400 0.220 0.000 2.304 373 D HA 0.337 4.980 4.640 0.005 0.000 0.247 373 D C 1.212 177.482 176.300 -0.049 0.000 1.089 373 D CA -0.411 53.707 54.000 0.197 0.000 0.910 373 D CB 0.836 41.704 40.800 0.114 0.000 1.199 373 D HN 0.266 nan 8.370 nan 0.000 0.426 374 A N 2.339 124.910 122.820 -0.416 0.000 2.067 374 A HA 0.024 4.347 4.320 0.005 0.000 0.217 374 A C 1.128 177.982 177.584 -1.216 0.000 1.156 374 A CA 0.869 52.116 52.037 -1.316 0.000 0.683 374 A CB -0.342 17.806 19.000 -1.420 0.000 0.808 374 A HN 0.638 nan 8.150 nan 0.000 0.455 375 F N -1.762 118.050 119.950 -0.231 0.000 2.819 375 F HA 0.254 4.784 4.527 0.005 0.000 0.325 375 F C 0.093 175.845 175.800 -0.080 0.000 1.041 375 F CA -0.490 57.420 58.000 -0.151 0.000 1.184 375 F CB 0.854 39.762 39.000 -0.154 0.000 1.019 375 F HN 0.029 nan 8.300 nan 0.000 0.590 376 D N 1.452 121.894 120.400 0.070 0.000 2.453 376 D HA 0.280 4.923 4.640 0.005 0.000 0.238 376 D C -2.205 174.103 176.300 0.013 0.000 1.088 376 D CA -2.296 51.731 54.000 0.046 0.000 0.854 376 D CB 1.908 42.735 40.800 0.046 0.000 1.076 376 D HN -0.083 nan 8.370 nan 0.000 0.533 377 P HA -0.058 nan 4.420 nan 0.000 0.230 377 P C 1.100 178.395 177.300 -0.008 0.000 1.158 377 P CA 0.575 63.677 63.100 0.004 0.000 0.769 377 P CB 0.216 31.920 31.700 0.006 0.000 0.807 378 S N -1.946 113.746 115.700 -0.013 0.000 2.558 378 S HA 0.089 4.562 4.470 0.005 0.000 0.217 378 S C 0.746 175.314 174.600 -0.053 0.000 0.975 378 S CA -0.061 58.124 58.200 -0.026 0.000 0.912 378 S CB -0.529 62.659 63.200 -0.019 0.000 0.776 378 S HN 0.067 nan 8.310 nan 0.000 0.526 379 K N 1.096 121.451 120.400 -0.075 0.000 2.164 379 K HA 0.542 4.865 4.320 0.005 0.000 0.258 379 K C -0.498 175.953 176.600 -0.248 0.000 0.951 379 K CA -0.672 55.513 56.287 -0.171 0.000 0.844 379 K CB 1.441 33.823 32.500 -0.197 0.000 1.099 379 K HN 0.084 nan 8.250 nan 0.000 0.435 380 K N 1.398 121.596 120.400 -0.337 0.000 2.395 380 K HA 0.476 4.799 4.320 0.005 0.000 0.245 380 K C -0.749 175.548 176.600 -0.504 0.000 1.017 380 K CA -0.975 55.128 56.287 -0.307 0.000 0.852 380 K CB 1.871 34.300 32.500 -0.119 0.000 1.311 380 K HN 0.576 nan 8.250 nan 0.000 0.452 381 H N 0.642 119.707 119.070 -0.008 0.000 2.928 381 H HA 0.325 4.884 4.556 0.005 0.000 0.371 381 H C -0.431 174.872 175.328 -0.042 0.000 1.186 381 H CA -0.809 55.225 56.048 -0.025 0.000 1.134 381 H CB 1.667 31.414 29.762 -0.026 0.000 1.824 381 H HN 0.338 nan 8.280 nan 0.000 0.554 382 R N 1.215 121.764 120.500 0.082 0.000 2.641 382 R HA 0.211 4.555 4.340 0.005 0.000 0.269 382 R C -2.335 173.945 176.300 -0.035 0.000 1.074 382 R CA -1.533 54.550 56.100 -0.029 0.000 1.133 382 R CB -0.198 30.054 30.300 -0.079 0.000 1.029 382 R HN 0.271 nan 8.270 nan 0.000 0.488 383 P HA -0.053 nan 4.420 nan 0.000 0.262 383 P C -0.649 176.740 177.300 0.147 0.000 1.182 383 P CA 0.388 63.470 63.100 -0.030 0.000 0.761 383 P CB 0.642 32.234 31.700 -0.180 0.000 0.795 384 T N 0.246 114.884 114.554 0.140 0.000 2.901 384 T HA 0.859 5.213 4.350 0.005 0.000 0.293 384 T C -0.552 174.094 174.700 -0.090 0.000 1.084 384 T CA -0.847 61.328 62.100 0.125 0.000 1.008 384 T CB 1.274 70.112 68.868 -0.050 0.000 1.170 384 T HN 0.124 nan 8.240 nan 0.000 0.509 385 M N 1.359 120.865 119.600 -0.156 0.000 2.520 385 M HA 0.440 4.923 4.480 0.005 0.000 0.280 385 M C -1.348 174.963 176.300 0.018 0.000 1.232 385 M CA -0.630 54.534 55.300 -0.227 0.000 0.892 385 M CB 2.257 34.357 32.600 -0.833 0.000 1.728 385 M HN 0.702 nan 8.290 nan 0.000 0.475 386 L N 0.649 121.960 121.223 0.147 0.000 2.421 386 L HA 0.412 4.755 4.340 0.005 0.000 0.263 386 L C 1.544 178.522 176.870 0.181 0.000 1.122 386 L CA -0.307 54.674 54.840 0.235 0.000 0.804 386 L CB 0.647 42.878 42.059 0.286 0.000 1.150 386 L HN 0.786 nan 8.230 nan 0.000 0.457 387 T N -0.575 114.176 114.554 0.328 0.000 2.649 387 T HA -0.238 4.115 4.350 0.005 0.000 0.268 387 T C 1.723 176.440 174.700 0.028 0.000 1.036 387 T CA 2.376 64.578 62.100 0.169 0.000 1.157 387 T CB -0.348 68.715 68.868 0.326 0.000 0.861 387 T HN 0.933 nan 8.240 nan 0.000 0.445 388 T N 0.244 114.863 114.554 0.110 0.000 2.995 388 T HA -0.064 4.289 4.350 0.005 0.000 0.269 388 T C 1.450 176.169 174.700 0.031 0.000 1.091 388 T CA 0.945 63.099 62.100 0.089 0.000 1.128 388 T CB -0.227 68.736 68.868 0.159 0.000 0.891 388 T HN 0.287 nan 8.240 nan 0.000 0.492 389 D N 1.809 122.245 120.400 0.061 0.000 2.117 389 D HA 0.032 4.676 4.640 0.005 0.000 0.198 389 D C 2.157 178.373 176.300 -0.140 0.000 0.982 389 D CA 0.751 54.773 54.000 0.037 0.000 0.828 389 D CB -0.241 40.648 40.800 0.148 0.000 0.967 389 D HN 0.368 nan 8.370 nan 0.000 0.464 390 L N 1.024 122.092 121.223 -0.258 0.000 2.191 390 L HA -0.112 4.231 4.340 0.005 0.000 0.212 390 L C 2.384 179.231 176.870 -0.038 0.000 1.103 390 L CA 0.565 55.245 54.840 -0.268 0.000 0.769 390 L CB -0.459 41.324 42.059 -0.460 0.000 0.908 390 L HN -0.063 nan 8.230 nan 0.000 0.438 391 S N 0.590 116.278 115.700 -0.021 0.000 2.402 391 S HA -0.173 4.300 4.470 0.005 0.000 0.233 391 S C 1.911 176.562 174.600 0.086 0.000 1.030 391 S CA 1.255 59.502 58.200 0.077 0.000 1.003 391 S CB -0.304 62.951 63.200 0.091 0.000 0.813 391 S HN 0.395 nan 8.310 nan 0.000 0.477 392 L N 0.404 121.596 121.223 -0.050 0.000 2.376 392 L HA 0.036 4.379 4.340 0.005 0.000 0.219 392 L C 2.558 179.383 176.870 -0.075 0.000 1.133 392 L CA 0.888 55.690 54.840 -0.063 0.000 0.816 392 L CB -0.350 41.662 42.059 -0.078 0.000 0.933 392 L HN 0.248 nan 8.230 nan 0.000 0.449 393 R N -0.168 120.173 120.500 -0.265 0.000 2.146 393 R HA 0.023 4.366 4.340 0.005 0.000 0.206 393 R C 1.852 177.846 176.300 -0.511 0.000 1.049 393 R CA 0.732 56.509 56.100 -0.537 0.000 1.029 393 R CB 0.067 29.759 30.300 -1.013 0.000 0.949 393 R HN 0.149 nan 8.270 nan 0.000 0.471 394 F N 0.762 120.687 119.950 -0.043 0.000 2.746 394 F HA 0.182 4.712 4.527 0.005 0.000 0.297 394 F C 0.645 176.440 175.800 -0.008 0.000 1.113 394 F CA -0.275 57.707 58.000 -0.030 0.000 1.367 394 F CB 0.299 39.252 39.000 -0.079 0.000 1.111 394 F HN -0.013 nan 8.300 nan 0.000 0.590 395 D N 1.839 122.321 120.400 0.136 0.000 2.348 395 D HA 0.047 4.690 4.640 0.005 0.000 0.253 395 D C -1.950 174.352 176.300 0.003 0.000 1.161 395 D CA -1.589 52.440 54.000 0.048 0.000 0.876 395 D CB 1.821 42.621 40.800 0.001 0.000 1.160 395 D HN -0.009 nan 8.370 nan 0.000 0.459 396 P HA -0.103 nan 4.420 nan 0.000 0.215 396 P C 0.896 178.163 177.300 -0.055 0.000 1.153 396 P CA 1.270 64.355 63.100 -0.025 0.000 0.853 396 P CB 0.215 31.900 31.700 -0.025 0.000 0.788 397 A N -1.650 121.098 122.820 -0.119 0.000 1.897 397 A HA -0.173 4.151 4.320 0.005 0.000 0.215 397 A C 2.142 179.691 177.584 -0.058 0.000 1.181 397 A CA 1.167 53.128 52.037 -0.127 0.000 0.620 397 A CB -1.816 17.070 19.000 -0.191 0.000 0.821 397 A HN 0.174 nan 8.150 nan 0.000 0.443 398 Y N -0.399 119.861 120.300 -0.068 0.000 2.165 398 Y HA -0.232 4.321 4.550 0.005 0.000 0.286 398 Y C 2.680 178.524 175.900 -0.094 0.000 1.155 398 Y CA 0.951 58.998 58.100 -0.089 0.000 1.164 398 Y CB -0.026 38.387 38.460 -0.079 0.000 0.978 398 Y HN 0.356 nan 8.280 nan 0.000 0.513 399 E N 1.430 121.688 120.200 0.096 0.000 2.114 399 E HA -0.253 4.100 4.350 0.005 0.000 0.199 399 E C 1.687 178.292 176.600 0.007 0.000 1.008 399 E CA 1.612 58.052 56.400 0.067 0.000 0.810 399 E CB -0.091 29.628 29.700 0.031 0.000 0.739 399 E HN 0.503 nan 8.360 nan 0.000 0.456 400 K N -0.304 120.068 120.400 -0.046 0.000 2.155 400 K HA -0.038 4.285 4.320 0.005 0.000 0.203 400 K C 2.304 178.789 176.600 -0.191 0.000 1.052 400 K CA 0.954 57.176 56.287 -0.108 0.000 0.948 400 K CB 0.026 32.471 32.500 -0.092 0.000 0.728 400 K HN 0.186 nan 8.250 nan 0.000 0.448 401 I N 0.433 120.875 120.570 -0.213 0.000 2.480 401 I HA -0.180 3.993 4.170 0.005 0.000 0.251 401 I C 2.020 177.749 176.117 -0.647 0.000 1.124 401 I CA 0.813 61.836 61.300 -0.461 0.000 1.444 401 I CB 0.019 37.778 38.000 -0.401 0.000 1.098 401 I HN -0.015 nan 8.210 nan 0.000 0.428 402 S N 0.511 115.990 115.700 -0.368 0.000 2.382 402 S HA -0.107 4.366 4.470 0.005 0.000 0.228 402 S C 2.094 176.404 174.600 -0.484 0.000 1.027 402 S CA 1.009 58.905 58.200 -0.507 0.000 0.991 402 S CB -0.224 62.965 63.200 -0.020 0.000 0.823 402 S HN 0.327 nan 8.310 nan 0.000 0.469 403 R N 0.993 121.329 120.500 -0.273 0.000 2.073 403 R HA -0.004 4.339 4.340 0.005 0.000 0.234 403 R C 2.570 178.686 176.300 -0.307 0.000 1.134 403 R CA 1.137 56.991 56.100 -0.411 0.000 0.952 403 R CB -0.384 29.683 30.300 -0.387 0.000 0.850 403 R HN 0.352 nan 8.270 nan 0.000 0.433 404 R N 0.226 120.545 120.500 -0.301 0.000 2.081 404 R HA -0.098 4.245 4.340 0.005 0.000 0.235 404 R C 2.226 178.481 176.300 -0.075 0.000 1.131 404 R CA 1.475 57.453 56.100 -0.203 0.000 0.960 404 R CB -0.302 29.859 30.300 -0.232 0.000 0.856 404 R HN 0.186 nan 8.270 nan 0.000 0.436 405 F N -0.769 119.011 119.950 -0.285 0.000 2.134 405 F HA -0.240 4.290 4.527 0.005 0.000 0.299 405 F C 2.580 178.231 175.800 -0.248 0.000 1.097 405 F CA 0.777 58.612 58.000 -0.275 0.000 1.264 405 F CB -0.399 38.272 39.000 -0.547 0.000 1.001 405 F HN 0.282 nan 8.300 nan 0.000 0.479 406 H N 0.955 119.804 119.070 -0.369 0.000 2.289 406 H HA -0.208 4.351 4.556 0.005 0.000 0.294 406 H C 1.798 177.081 175.328 -0.076 0.000 1.095 406 H CA 2.285 58.242 56.048 -0.152 0.000 1.256 406 H CB -0.331 29.309 29.762 -0.203 0.000 1.359 406 H HN 0.298 nan 8.280 nan 0.000 0.487 407 E N -0.704 119.387 120.200 -0.182 0.000 2.299 407 E HA 0.022 4.375 4.350 0.005 0.000 0.193 407 E C -0.079 176.463 176.600 -0.096 0.000 0.998 407 E CA 0.445 56.715 56.400 -0.217 0.000 0.851 407 E CB 0.321 29.909 29.700 -0.186 0.000 0.795 407 E HN 0.455 nan 8.360 nan 0.000 0.492 408 N N 0.906 119.601 118.700 -0.009 0.000 2.790 408 N HA 0.120 4.863 4.740 0.005 0.000 0.256 408 N C -2.413 173.157 175.510 0.099 0.000 1.409 408 N CA -0.976 52.100 53.050 0.045 0.000 0.799 408 N CB 1.519 40.054 38.487 0.079 0.000 1.170 408 N HN -0.043 nan 8.380 nan 0.000 0.507 409 P HA -0.077 nan 4.420 nan 0.000 0.222 409 P C 1.117 178.481 177.300 0.106 0.000 1.147 409 P CA 1.088 64.153 63.100 -0.059 0.000 0.790 409 P CB 0.631 31.865 31.700 -0.777 0.000 0.780 410 E N -0.300 119.962 120.200 0.103 0.000 2.077 410 E HA -0.205 4.148 4.350 0.005 0.000 0.193 410 E C 2.133 178.822 176.600 0.148 0.000 0.989 410 E CA 1.055 57.535 56.400 0.134 0.000 0.800 410 E CB -0.283 29.477 29.700 0.101 0.000 0.746 410 E HN 0.391 nan 8.360 nan 0.000 0.452 411 Q N -0.419 119.489 119.800 0.180 0.000 2.079 411 Q HA -0.165 4.178 4.340 0.005 0.000 0.200 411 Q C 2.045 178.123 176.000 0.130 0.000 0.974 411 Q CA 1.014 56.949 55.803 0.221 0.000 0.840 411 Q CB -0.190 28.741 28.738 0.321 0.000 0.898 411 Q HN 0.262 nan 8.270 nan 0.000 0.430 412 F N 1.598 121.441 119.950 -0.179 0.000 2.075 412 F HA -0.169 4.361 4.527 0.005 0.000 0.297 412 F C 2.161 177.914 175.800 -0.078 0.000 1.113 412 F CA 1.413 59.034 58.000 -0.633 0.000 1.218 412 F CB -0.867 38.000 39.000 -0.223 0.000 0.984 412 F HN -0.006 nan 8.300 nan 0.000 0.472 413 A N -0.296 122.581 122.820 0.096 0.000 1.940 413 A HA -0.262 4.062 4.320 0.005 0.000 0.219 413 A C 1.971 179.611 177.584 0.094 0.000 1.176 413 A CA 2.156 54.264 52.037 0.118 0.000 0.631 413 A CB -1.290 17.818 19.000 0.179 0.000 0.814 413 A HN 0.523 nan 8.150 nan 0.000 0.446 414 D N -0.723 119.722 120.400 0.076 0.000 2.123 414 D HA 0.068 4.711 4.640 0.005 0.000 0.200 414 D C 2.069 178.424 176.300 0.092 0.000 0.976 414 D CA 1.401 55.448 54.000 0.079 0.000 0.831 414 D CB -0.197 40.659 40.800 0.093 0.000 0.974 414 D HN 0.317 nan 8.370 nan 0.000 0.469 415 A N -0.269 122.610 122.820 0.099 0.000 1.933 415 A HA -0.118 4.206 4.320 0.005 0.000 0.218 415 A C 2.243 179.942 177.584 0.191 0.000 1.175 415 A CA 1.094 53.218 52.037 0.144 0.000 0.628 415 A CB -1.226 17.896 19.000 0.204 0.000 0.814 415 A HN 0.493 nan 8.150 nan 0.000 0.444 416 F N 0.509 120.450 119.950 -0.014 0.000 2.146 416 F HA -0.027 4.503 4.527 0.005 0.000 0.298 416 F C 2.494 178.365 175.800 0.118 0.000 1.096 416 F CA 1.002 58.993 58.000 -0.015 0.000 1.275 416 F CB -0.024 38.819 39.000 -0.262 0.000 1.008 416 F HN 0.287 nan 8.300 nan 0.000 0.480 417 A N 0.930 123.821 122.820 0.119 0.000 1.898 417 A HA -0.166 4.158 4.320 0.005 0.000 0.216 417 A C 2.182 179.803 177.584 0.062 0.000 1.181 417 A CA 1.521 53.626 52.037 0.113 0.000 0.620 417 A CB -0.684 18.394 19.000 0.131 0.000 0.819 417 A HN 0.433 nan 8.150 nan 0.000 0.442 418 R N -0.544 119.911 120.500 -0.075 0.000 2.081 418 R HA -0.050 4.293 4.340 0.005 0.000 0.235 418 R C 2.422 178.726 176.300 0.007 0.000 1.131 418 R CA 1.195 57.142 56.100 -0.255 0.000 0.960 418 R CB -0.408 29.738 30.300 -0.256 0.000 0.856 418 R HN 0.507 nan 8.270 nan 0.000 0.436 419 A N 0.735 123.607 122.820 0.086 0.000 1.929 419 A HA -0.164 4.159 4.320 0.005 0.000 0.216 419 A C 1.853 179.511 177.584 0.123 0.000 1.176 419 A CA 0.703 52.805 52.037 0.108 0.000 0.628 419 A CB -0.799 18.322 19.000 0.202 0.000 0.816 419 A HN 0.614 nan 8.150 nan 0.000 0.444 420 W N -0.473 120.790 121.300 -0.062 0.000 2.388 420 W HA -0.193 4.470 4.660 0.006 0.000 0.294 420 W C 1.751 178.308 176.519 0.062 0.000 1.212 420 W CA 1.573 58.875 57.345 -0.071 0.000 1.271 420 W CB -0.313 28.954 29.460 -0.321 0.000 1.126 420 W HN 0.402 nan 8.180 nan 0.000 0.535 421 F N 2.137 122.129 119.950 0.071 0.000 2.113 421 F HA -0.128 4.401 4.527 0.005 0.000 0.297 421 F C 2.600 178.399 175.800 -0.002 0.000 1.103 421 F CA 2.567 60.617 58.000 0.083 0.000 1.248 421 F CB -0.874 38.229 39.000 0.171 0.000 0.999 421 F HN -0.247 nan 8.300 nan 0.000 0.475 422 K N 0.354 120.630 120.400 -0.207 0.000 2.009 422 K HA -0.246 4.077 4.320 0.005 0.000 0.210 422 K C 2.218 178.385 176.600 -0.722 0.000 1.049 422 K CA 1.979 57.794 56.287 -0.786 0.000 0.929 422 K CB -0.701 31.300 32.500 -0.832 0.000 0.714 422 K HN 0.388 nan 8.250 nan 0.000 0.440 423 L N 1.156 122.118 121.223 -0.436 0.000 2.013 423 L HA -0.186 4.157 4.340 0.005 0.000 0.212 423 L C 2.147 178.734 176.870 -0.471 0.000 1.073 423 L CA 2.720 57.344 54.840 -0.360 0.000 0.753 423 L CB -0.964 40.990 42.059 -0.174 0.000 0.890 423 L HN 0.460 nan 8.230 nan 0.000 0.432 424 T N -5.038 109.180 114.554 -0.559 0.000 3.100 424 T HA 0.016 4.369 4.350 0.005 0.000 0.253 424 T C 0.936 175.213 174.700 -0.705 0.000 1.118 424 T CA 0.938 62.677 62.100 -0.601 0.000 1.058 424 T CB -0.537 67.914 68.868 -0.695 0.000 0.953 424 T HN 0.560 nan 8.240 nan 0.000 0.515 425 H N -0.762 117.917 119.070 -0.651 0.000 2.923 425 H HA 0.494 5.053 4.556 0.005 0.000 0.268 425 H C 1.845 176.947 175.328 -0.375 0.000 1.148 425 H CA -0.457 55.257 56.048 -0.555 0.000 1.146 425 H CB 0.391 29.687 29.762 -0.778 0.000 1.607 425 H HN 0.071 nan 8.280 nan 0.000 0.566 426 R N 1.551 121.736 120.500 -0.526 0.000 2.120 426 R HA -0.084 4.259 4.340 0.005 0.000 0.234 426 R C 0.479 176.552 176.300 -0.378 0.000 1.123 426 R CA 1.775 57.506 56.100 -0.615 0.000 0.975 426 R CB -0.037 29.701 30.300 -0.936 0.000 0.866 426 R HN 0.415 nan 8.270 nan 0.000 0.446 427 D N -1.713 118.458 120.400 -0.382 0.000 2.463 427 D HA 0.000 4.643 4.640 0.005 0.000 0.224 427 D C 1.106 177.333 176.300 -0.122 0.000 1.174 427 D CA 0.037 53.908 54.000 -0.216 0.000 0.829 427 D CB -0.036 40.658 40.800 -0.177 0.000 0.993 427 D HN 0.263 nan 8.370 nan 0.000 0.497 428 M N 0.183 119.736 119.600 -0.079 0.000 2.510 428 M HA 0.224 4.708 4.480 0.005 0.000 0.256 428 M C 0.938 177.221 176.300 -0.028 0.000 1.132 428 M CA 0.813 56.078 55.300 -0.058 0.000 1.105 428 M CB 0.322 32.900 32.600 -0.037 0.000 1.375 428 M HN 0.315 nan 8.290 nan 0.000 0.477 429 G N 0.944 109.753 108.800 0.016 0.000 2.587 429 G HA2 -0.148 3.816 3.960 0.005 0.000 0.212 429 G HA3 -0.148 3.816 3.960 0.005 0.000 0.212 429 G C -2.960 171.917 174.900 -0.039 0.000 1.327 429 G CA -1.233 43.837 45.100 -0.050 0.000 0.898 429 G HN 0.120 nan 8.290 nan 0.000 0.551 430 P HA 0.292 nan 4.420 nan 0.000 0.269 430 P C 1.083 178.217 177.300 -0.276 0.000 1.215 430 P CA -0.171 62.868 63.100 -0.101 0.000 0.780 430 P CB 0.351 32.083 31.700 0.053 0.000 0.898 431 R N 1.968 122.198 120.500 -0.449 0.000 2.139 431 R HA -0.209 4.134 4.340 0.005 0.000 0.243 431 R C 2.020 178.092 176.300 -0.380 0.000 1.145 431 R CA 1.831 57.481 56.100 -0.750 0.000 0.976 431 R CB -0.985 28.979 30.300 -0.559 0.000 0.866 431 R HN 0.542 nan 8.270 nan 0.000 0.449 432 A N 1.326 124.046 122.820 -0.167 0.000 2.042 432 A HA -0.212 4.111 4.320 0.005 0.000 0.222 432 A C 1.921 179.507 177.584 0.003 0.000 1.167 432 A CA 1.403 53.416 52.037 -0.041 0.000 0.649 432 A CB -0.402 18.621 19.000 0.037 0.000 0.809 432 A HN 0.296 nan 8.150 nan 0.000 0.457 433 R N -2.022 118.460 120.500 -0.030 0.000 2.276 433 R HA 0.015 4.358 4.340 0.005 0.000 0.203 433 R C -0.434 175.945 176.300 0.132 0.000 1.017 433 R CA -0.009 56.087 56.100 -0.005 0.000 1.010 433 R CB -0.119 30.074 30.300 -0.178 0.000 0.900 433 R HN 0.491 nan 8.270 nan 0.000 0.469 434 Y N 1.579 121.834 120.300 -0.074 0.000 2.496 434 Y HA 0.131 4.685 4.550 0.006 0.000 0.334 434 Y C 0.566 176.440 175.900 -0.044 0.000 1.080 434 Y CA -0.508 57.556 58.100 -0.060 0.000 1.355 434 Y CB 0.143 38.594 38.460 -0.014 0.000 1.193 434 Y HN -0.104 nan 8.280 nan 0.000 0.523 435 L N 2.667 123.908 121.223 0.030 0.000 2.330 435 L HA 0.874 5.217 4.340 0.005 0.000 0.271 435 L C 0.637 177.647 176.870 0.234 0.000 1.013 435 L CA -0.741 54.160 54.840 0.102 0.000 0.816 435 L CB 1.734 43.828 42.059 0.058 0.000 1.287 435 L HN 0.799 nan 8.230 nan 0.000 0.435 436 G N 2.008 110.976 108.800 0.280 0.000 2.566 436 G HA2 -0.105 3.858 3.960 0.005 0.000 0.599 436 G HA3 -0.105 3.858 3.960 0.005 0.000 0.599 436 G C -2.575 172.426 174.900 0.169 0.000 1.292 436 G CA -0.372 44.907 45.100 0.299 0.000 0.922 436 G HN 0.508 nan 8.290 nan 0.000 0.514 437 P HA 0.224 nan 4.420 nan 0.000 0.255 437 P C 0.522 177.866 177.300 0.074 0.000 1.248 437 P CA 0.744 63.888 63.100 0.072 0.000 0.807 437 P CB 0.321 32.042 31.700 0.035 0.000 1.150 438 E N -0.354 119.924 120.200 0.131 0.000 2.558 438 E HA 0.145 4.498 4.350 0.005 0.000 0.205 438 E C -0.218 176.419 176.600 0.062 0.000 1.006 438 E CA -0.260 56.203 56.400 0.104 0.000 0.961 438 E CB 0.851 30.669 29.700 0.197 0.000 1.044 438 E HN 0.009 nan 8.360 nan 0.000 0.465 439 V N 3.836 123.786 119.914 0.060 0.000 2.521 439 V HA 0.066 4.189 4.120 0.005 0.000 0.286 439 V C -1.978 174.078 176.094 -0.062 0.000 1.034 439 V CA -1.283 61.049 62.300 0.054 0.000 1.045 439 V CB 0.084 31.993 31.823 0.143 0.000 0.974 439 V HN 0.094 nan 8.190 nan 0.000 0.480 440 P HA 0.222 nan 4.420 nan 0.000 0.271 440 P C 0.358 177.547 177.300 -0.185 0.000 1.216 440 P CA -0.198 62.687 63.100 -0.359 0.000 0.771 440 P CB 1.011 32.314 31.700 -0.662 0.000 0.864 441 A N 2.410 125.116 122.820 -0.190 0.000 2.016 441 A HA -0.071 4.252 4.320 0.005 0.000 0.217 441 A C 1.032 178.561 177.584 -0.091 0.000 1.162 441 A CA 0.490 52.459 52.037 -0.113 0.000 0.662 441 A CB -0.716 18.221 19.000 -0.104 0.000 0.812 441 A HN 0.648 nan 8.150 nan 0.000 0.450 442 E N 0.502 120.641 120.200 -0.102 0.000 2.415 442 E HA 0.276 4.629 4.350 0.005 0.000 0.263 442 E C -1.068 175.534 176.600 0.003 0.000 0.995 442 E CA -0.258 56.134 56.400 -0.014 0.000 0.915 442 E CB 0.590 30.347 29.700 0.094 0.000 0.951 442 E HN 0.107 nan 8.360 nan 0.000 0.449 443 V N 6.486 126.385 119.914 -0.025 0.000 2.432 443 V HA 0.226 4.349 4.120 0.005 0.000 0.275 443 V C 0.125 176.168 176.094 -0.085 0.000 1.043 443 V CA -0.351 61.902 62.300 -0.078 0.000 0.925 443 V CB 0.877 32.645 31.823 -0.091 0.000 0.985 443 V HN 0.560 nan 8.190 nan 0.000 0.466 444 L N 4.734 125.836 121.223 -0.202 0.000 2.334 444 L HA 0.386 4.729 4.340 0.005 0.000 0.276 444 L C 0.962 177.645 176.870 -0.311 0.000 1.014 444 L CA -0.663 54.031 54.840 -0.244 0.000 0.815 444 L CB 1.545 43.366 42.059 -0.397 0.000 1.268 444 L HN 0.484 nan 8.230 nan 0.000 0.428 445 L N 3.506 124.663 121.223 -0.110 0.000 2.081 445 L HA -0.194 4.149 4.340 0.005 0.000 0.212 445 L C 2.046 178.905 176.870 -0.019 0.000 1.080 445 L CA 1.982 56.802 54.840 -0.035 0.000 0.754 445 L CB -0.554 41.542 42.059 0.061 0.000 0.893 445 L HN 0.797 nan 8.230 nan 0.000 0.433 446 W N -1.316 120.018 121.300 0.056 0.000 2.699 446 W HA -0.063 4.599 4.660 0.004 0.000 0.249 446 W C 1.375 177.918 176.519 0.042 0.000 1.280 446 W CA 0.180 57.555 57.345 0.051 0.000 1.345 446 W CB -1.063 28.427 29.460 0.050 0.000 1.128 446 W HN 0.314 nan 8.180 nan 0.000 0.642 447 Q N 1.048 120.520 119.800 -0.546 0.000 2.482 447 Q HA -0.072 4.272 4.340 0.005 0.000 0.209 447 Q C -0.256 175.644 176.000 -0.166 0.000 0.961 447 Q CA 0.599 56.100 55.803 -0.503 0.000 0.945 447 Q CB -0.419 27.862 28.738 -0.762 0.000 1.012 447 Q HN 0.070 nan 8.270 nan 0.000 0.515 448 D N 1.074 121.433 120.400 -0.068 0.000 2.697 448 D HA -0.137 4.506 4.640 0.005 0.000 0.235 448 D C -2.388 173.873 176.300 -0.064 0.000 1.167 448 D CA 0.532 54.516 54.000 -0.026 0.000 0.656 448 D CB -0.799 40.016 40.800 0.024 0.000 1.025 448 D HN 0.318 nan 8.370 nan 0.000 0.419 449 P HA 0.044 nan 4.420 nan 0.000 0.267 449 P C 0.200 177.459 177.300 -0.068 0.000 1.200 449 P CA -0.055 62.977 63.100 -0.112 0.000 0.772 449 P CB 0.852 32.481 31.700 -0.118 0.000 0.855 450 I N 2.692 123.222 120.570 -0.067 0.000 2.436 450 I HA 0.282 4.455 4.170 0.005 0.000 0.289 450 I C -2.111 173.977 176.117 -0.047 0.000 1.010 450 I CA -2.647 58.627 61.300 -0.044 0.000 1.098 450 I CB 0.834 38.813 38.000 -0.034 0.000 1.266 450 I HN 0.162 nan 8.210 nan 0.000 0.434 451 P HA 0.103 nan 4.420 nan 0.000 0.265 451 P C -0.100 177.178 177.300 -0.036 0.000 1.187 451 P CA -0.129 62.953 63.100 -0.029 0.000 0.766 451 P CB 0.523 32.218 31.700 -0.009 0.000 0.820 452 A N 3.118 125.911 122.820 -0.044 0.000 2.540 452 A HA 0.141 4.464 4.320 0.005 0.000 0.239 452 A C 0.201 177.744 177.584 -0.069 0.000 1.061 452 A CA -0.195 51.808 52.037 -0.056 0.000 0.758 452 A CB -0.163 18.805 19.000 -0.053 0.000 0.991 452 A HN 0.414 nan 8.150 nan 0.000 0.502 453 V N 3.316 123.163 119.914 -0.111 0.000 2.488 453 V HA 0.185 4.308 4.120 0.005 0.000 0.277 453 V C 0.220 176.170 176.094 -0.240 0.000 1.046 453 V CA 0.502 62.669 62.300 -0.221 0.000 0.986 453 V CB 1.073 32.732 31.823 -0.274 0.000 0.989 453 V HN 1.011 nan 8.190 nan 0.000 0.475 454 D N 2.198 122.450 120.400 -0.247 0.000 2.571 454 D HA 0.169 4.812 4.640 0.005 0.000 0.239 454 D C 0.020 176.287 176.300 -0.055 0.000 1.267 454 D CA -0.277 53.655 54.000 -0.114 0.000 0.823 454 D CB -0.026 40.765 40.800 -0.015 0.000 1.056 454 D HN 0.765 nan 8.370 nan 0.000 0.494 455 H N -3.015 116.060 119.070 0.010 0.000 2.946 455 H HA 0.754 5.313 4.556 0.005 0.000 0.365 455 H C -3.003 172.338 175.328 0.021 0.000 1.197 455 H CA -2.283 53.775 56.048 0.016 0.000 1.131 455 H CB -0.274 29.502 29.762 0.023 0.000 1.849 455 H HN -0.342 nan 8.280 nan 0.000 0.555 456 P HA 0.062 nan 4.420 nan 0.000 0.265 456 P C -0.324 177.147 177.300 0.284 0.000 1.193 456 P CA 0.001 63.199 63.100 0.164 0.000 0.765 456 P CB 0.571 32.346 31.700 0.124 0.000 0.823 457 L N 3.188 124.513 121.223 0.169 0.000 2.421 457 L HA 0.376 4.719 4.340 0.005 0.000 0.263 457 L C 1.126 178.096 176.870 0.168 0.000 1.122 457 L CA -1.177 53.771 54.840 0.179 0.000 0.804 457 L CB 0.264 42.375 42.059 0.087 0.000 1.150 457 L HN 0.375 nan 8.230 nan 0.000 0.457 458 I N -1.102 119.577 120.570 0.181 0.000 2.815 458 I HA 0.080 4.253 4.170 0.005 0.000 0.291 458 I C -0.111 176.089 176.117 0.138 0.000 1.209 458 I CA -0.486 60.915 61.300 0.169 0.000 1.431 458 I CB 0.236 38.303 38.000 0.113 0.000 1.351 458 I HN 0.585 nan 8.210 nan 0.000 0.585 459 D N 4.248 124.723 120.400 0.126 0.000 2.564 459 D HA 0.520 5.163 4.640 0.005 0.000 0.273 459 D C 0.959 177.317 176.300 0.096 0.000 1.192 459 D CA -0.301 53.758 54.000 0.098 0.000 1.080 459 D CB 0.855 41.703 40.800 0.080 0.000 1.160 459 D HN 0.595 nan 8.370 nan 0.000 0.607 460 A N -0.402 122.466 122.820 0.079 0.000 1.972 460 A HA 0.064 4.388 4.320 0.005 0.000 0.219 460 A C 2.114 179.732 177.584 0.057 0.000 1.169 460 A CA 2.305 54.385 52.037 0.071 0.000 0.635 460 A CB -1.378 17.657 19.000 0.058 0.000 0.810 460 A HN 0.641 nan 8.150 nan 0.000 0.446 461 A N 0.162 123.019 122.820 0.061 0.000 1.873 461 A HA -0.153 4.171 4.320 0.005 0.000 0.215 461 A C 1.767 179.394 177.584 0.070 0.000 1.186 461 A CA 1.670 53.742 52.037 0.059 0.000 0.616 461 A CB -0.538 18.499 19.000 0.063 0.000 0.823 461 A HN 0.467 nan 8.150 nan 0.000 0.442 462 D N 0.362 120.822 120.400 0.102 0.000 2.149 462 D HA -0.113 4.530 4.640 0.005 0.000 0.198 462 D C 2.171 178.449 176.300 -0.036 0.000 0.990 462 D CA 1.564 55.637 54.000 0.123 0.000 0.839 462 D CB -0.403 40.516 40.800 0.198 0.000 0.948 462 D HN 0.446 nan 8.370 nan 0.000 0.460 463 A N 1.136 123.937 122.820 -0.033 0.000 1.930 463 A HA 0.011 4.334 4.320 0.005 0.000 0.217 463 A C 2.347 179.869 177.584 -0.103 0.000 1.175 463 A CA 1.945 53.914 52.037 -0.114 0.000 0.627 463 A CB -0.560 18.413 19.000 -0.045 0.000 0.815 463 A HN 0.237 nan 8.150 nan 0.000 0.443 464 A N -0.279 122.520 122.820 -0.035 0.000 1.933 464 A HA -0.179 4.144 4.320 0.005 0.000 0.218 464 A C 2.050 179.619 177.584 -0.026 0.000 1.175 464 A CA 1.768 53.790 52.037 -0.024 0.000 0.628 464 A CB -0.490 18.513 19.000 0.005 0.000 0.814 464 A HN 0.680 nan 8.150 nan 0.000 0.444 465 E N -0.106 120.091 120.200 -0.006 0.000 2.047 465 E HA -0.149 4.205 4.350 0.005 0.000 0.191 465 E C 1.964 178.549 176.600 -0.026 0.000 0.987 465 E CA 1.011 57.423 56.400 0.020 0.000 0.799 465 E CB -0.211 29.550 29.700 0.103 0.000 0.752 465 E HN 0.609 nan 8.360 nan 0.000 0.449 466 L N 0.749 121.899 121.223 -0.121 0.000 2.012 466 L HA -0.215 4.129 4.340 0.005 0.000 0.210 466 L C 2.738 179.524 176.870 -0.140 0.000 1.073 466 L CA 1.497 56.219 54.840 -0.197 0.000 0.748 466 L CB -0.319 41.510 42.059 -0.383 0.000 0.891 466 L HN 0.081 nan 8.230 nan 0.000 0.431 467 K N -0.231 120.088 120.400 -0.136 0.000 2.026 467 K HA -0.161 4.162 4.320 0.005 0.000 0.208 467 K C 2.242 178.805 176.600 -0.062 0.000 1.048 467 K CA 1.327 57.550 56.287 -0.106 0.000 0.929 467 K CB -0.299 32.142 32.500 -0.099 0.000 0.713 467 K HN 0.293 nan 8.250 nan 0.000 0.439 468 A N 2.082 124.876 122.820 -0.043 0.000 1.917 468 A HA -0.229 4.094 4.320 0.005 0.000 0.219 468 A C 1.958 179.531 177.584 -0.019 0.000 1.182 468 A CA 1.647 53.670 52.037 -0.022 0.000 0.633 468 A CB -0.297 18.698 19.000 -0.008 0.000 0.819 468 A HN 0.120 nan 8.150 nan 0.000 0.448 469 K N -0.452 119.936 120.400 -0.020 0.000 2.057 469 K HA -0.048 4.275 4.320 0.005 0.000 0.206 469 K C 2.058 178.647 176.600 -0.019 0.000 1.050 469 K CA 1.261 57.542 56.287 -0.010 0.000 0.935 469 K CB -0.823 31.679 32.500 0.003 0.000 0.715 469 K HN 0.358 nan 8.250 nan 0.000 0.439 470 V N 2.214 122.106 119.914 -0.038 0.000 2.255 470 V HA -0.251 3.872 4.120 0.005 0.000 0.247 470 V C 2.477 178.557 176.094 -0.023 0.000 1.051 470 V CA 1.632 63.910 62.300 -0.035 0.000 1.018 470 V CB -0.461 31.330 31.823 -0.054 0.000 0.641 470 V HN 0.231 nan 8.190 nan 0.000 0.445 471 L N -0.049 121.159 121.223 -0.025 0.000 2.131 471 L HA -0.151 4.193 4.340 0.005 0.000 0.210 471 L C 2.567 179.430 176.870 -0.011 0.000 1.092 471 L CA 1.452 56.281 54.840 -0.019 0.000 0.759 471 L CB -0.700 41.347 42.059 -0.021 0.000 0.903 471 L HN 0.384 nan 8.230 nan 0.000 0.435 472 A N -0.327 122.487 122.820 -0.009 0.000 2.119 472 A HA -0.132 4.192 4.320 0.005 0.000 0.217 472 A C 2.455 180.038 177.584 -0.002 0.000 1.153 472 A CA 1.342 53.376 52.037 -0.004 0.000 0.692 472 A CB -0.412 18.588 19.000 -0.000 0.000 0.799 472 A HN 0.494 nan 8.150 nan 0.000 0.458 473 S N -1.883 113.815 115.700 -0.003 0.000 2.481 473 S HA 0.310 4.784 4.470 0.005 0.000 0.231 473 S C 1.536 176.136 174.600 0.000 0.000 0.996 473 S CA 1.371 59.571 58.200 -0.001 0.000 0.942 473 S CB -0.194 63.004 63.200 -0.002 0.000 0.768 473 S HN 1.794 nan 8.310 nan 0.000 0.520 474 G N 0.494 109.293 108.800 -0.001 0.000 2.238 474 G HA2 -0.182 3.781 3.960 0.005 0.000 0.217 474 G HA3 -0.182 3.781 3.960 0.005 0.000 0.217 474 G C -0.025 174.876 174.900 0.001 0.000 0.996 474 G CA -0.101 45.000 45.100 0.000 0.000 0.632 474 G HN 0.509 nan 8.290 nan 0.000 0.503 475 L N 2.751 123.974 121.223 0.001 0.000 2.490 475 L HA 0.399 4.742 4.340 0.005 0.000 0.274 475 L C 1.615 178.485 176.870 0.000 0.000 1.201 475 L CA 0.650 55.492 54.840 0.003 0.000 0.869 475 L CB 0.530 42.591 42.059 0.004 0.000 1.123 475 L HN 0.461 nan 8.230 nan 0.000 0.484 476 T N -0.648 113.908 114.554 0.003 0.000 2.874 476 T HA 0.257 4.610 4.350 0.005 0.000 0.281 476 T C 1.366 176.062 174.700 -0.007 0.000 0.994 476 T CA -0.988 61.111 62.100 -0.003 0.000 1.015 476 T CB 1.571 70.439 68.868 0.000 0.000 1.028 476 T HN 0.243 nan 8.240 nan 0.000 0.523 477 V N 1.366 121.267 119.914 -0.021 0.000 2.231 477 V HA -0.238 3.885 4.120 0.005 0.000 0.250 477 V C 3.026 179.103 176.094 -0.028 0.000 1.058 477 V CA 2.659 64.936 62.300 -0.039 0.000 1.022 477 V CB -1.319 30.469 31.823 -0.058 0.000 0.640 477 V HN 1.124 nan 8.190 nan 0.000 0.445 478 S N -1.177 114.512 115.700 -0.018 0.000 2.359 478 S HA -0.334 4.139 4.470 0.005 0.000 0.223 478 S C 2.048 176.666 174.600 0.029 0.000 1.039 478 S CA 2.380 60.579 58.200 -0.002 0.000 1.042 478 S CB -0.312 62.888 63.200 -0.000 0.000 0.915 478 S HN 0.716 nan 8.310 nan 0.000 0.439 479 Q N 0.208 120.026 119.800 0.029 0.000 2.061 479 Q HA -0.112 4.231 4.340 0.005 0.000 0.204 479 Q C 2.369 178.409 176.000 0.067 0.000 0.984 479 Q CA 1.954 57.785 55.803 0.046 0.000 0.846 479 Q CB -0.378 28.379 28.738 0.032 0.000 0.902 479 Q HN 0.547 nan 8.270 nan 0.000 0.421 480 L N -0.360 120.895 121.223 0.053 0.000 2.027 480 L HA -0.176 4.167 4.340 0.005 0.000 0.206 480 L C 2.374 179.333 176.870 0.147 0.000 1.074 480 L CA 0.745 55.630 54.840 0.075 0.000 0.745 480 L CB -0.528 41.553 42.059 0.037 0.000 0.898 480 L HN 0.089 nan 8.230 nan 0.000 0.433 481 V N -0.839 119.143 119.914 0.114 0.000 2.270 481 V HA -0.256 3.868 4.120 0.005 0.000 0.245 481 V C 2.598 178.905 176.094 0.355 0.000 1.043 481 V CA 2.031 64.447 62.300 0.193 0.000 1.014 481 V CB -0.432 31.380 31.823 -0.018 0.000 0.645 481 V HN 0.366 nan 8.190 nan 0.000 0.447 482 S N -0.004 115.835 115.700 0.231 0.000 2.365 482 S HA -0.242 4.231 4.470 0.005 0.000 0.225 482 S C 2.069 176.837 174.600 0.281 0.000 1.039 482 S CA 2.162 60.517 58.200 0.258 0.000 1.033 482 S CB -0.548 62.744 63.200 0.153 0.000 0.887 482 S HN 0.711 nan 8.310 nan 0.000 0.447 483 T N 2.397 117.073 114.554 0.202 0.000 2.674 483 T HA -0.046 4.307 4.350 0.005 0.000 0.265 483 T C 2.177 176.976 174.700 0.164 0.000 1.039 483 T CA 1.300 63.491 62.100 0.151 0.000 1.150 483 T CB -0.595 68.334 68.868 0.103 0.000 0.864 483 T HN 0.475 nan 8.240 nan 0.000 0.427 484 A N 1.319 124.281 122.820 0.236 0.000 1.933 484 A HA -0.103 4.220 4.320 0.005 0.000 0.218 484 A C 2.147 179.811 177.584 0.133 0.000 1.175 484 A CA 1.303 53.463 52.037 0.205 0.000 0.628 484 A CB -1.095 18.141 19.000 0.394 0.000 0.814 484 A HN 0.757 nan 8.150 nan 0.000 0.444 485 W N 0.868 122.255 121.300 0.144 0.000 2.335 485 W HA -0.220 4.443 4.660 0.005 0.000 0.311 485 W C 2.286 178.818 176.519 0.023 0.000 1.213 485 W CA 2.175 59.545 57.345 0.041 0.000 1.274 485 W CB -0.471 29.106 29.460 0.194 0.000 1.148 485 W HN 0.428 nan 8.180 nan 0.000 0.498 486 A N 1.250 124.101 122.820 0.052 0.000 1.892 486 A HA -0.199 4.124 4.320 0.005 0.000 0.218 486 A C 2.194 179.709 177.584 -0.115 0.000 1.188 486 A CA 3.240 55.266 52.037 -0.018 0.000 0.631 486 A CB -1.432 17.630 19.000 0.102 0.000 0.822 486 A HN 0.393 nan 8.150 nan 0.000 0.447 487 A N -0.668 122.096 122.820 -0.094 0.000 1.873 487 A HA 0.225 4.549 4.320 0.005 0.000 0.215 487 A C 2.488 179.971 177.584 -0.170 0.000 1.186 487 A CA 2.148 54.124 52.037 -0.101 0.000 0.616 487 A CB -0.920 18.043 19.000 -0.062 0.000 0.823 487 A HN 1.094 nan 8.150 nan 0.000 0.442 488 A N -0.051 122.598 122.820 -0.285 0.000 1.935 488 A HA 0.065 4.388 4.320 0.005 0.000 0.214 488 A C 2.250 179.577 177.584 -0.428 0.000 1.178 488 A CA 1.668 53.495 52.037 -0.351 0.000 0.640 488 A CB -0.695 18.029 19.000 -0.460 0.000 0.825 488 A HN 0.925 nan 8.150 nan 0.000 0.447 489 S N 0.091 115.363 115.700 -0.713 0.000 2.607 489 S HA -0.058 4.415 4.470 0.005 0.000 0.224 489 S C 1.465 175.871 174.600 -0.324 0.000 0.969 489 S CA 1.129 58.847 58.200 -0.803 0.000 0.927 489 S CB -1.074 61.120 63.200 -1.677 0.000 0.772 489 S HN 0.687 nan 8.310 nan 0.000 0.533 490 T N -1.293 113.172 114.554 -0.149 0.000 3.072 490 T HA 0.128 4.482 4.350 0.005 0.000 0.266 490 T C 0.279 174.997 174.700 0.029 0.000 1.127 490 T CA -0.281 61.823 62.100 0.006 0.000 1.107 490 T CB -0.819 68.113 68.868 0.106 0.000 0.910 490 T HN 0.402 nan 8.240 nan 0.000 0.513 491 F N 4.099 123.983 119.950 -0.109 0.000 2.518 491 F HA 0.363 4.893 4.527 0.004 0.000 0.359 491 F C 0.639 176.416 175.800 -0.039 0.000 1.118 491 F CA -0.998 56.964 58.000 -0.063 0.000 1.287 491 F CB 0.615 39.556 39.000 -0.098 0.000 1.132 491 F HN 0.172 nan 8.300 nan 0.000 0.587 492 R N 3.867 123.905 120.500 -0.769 0.000 2.621 492 R HA 0.511 4.854 4.340 0.005 0.000 0.284 492 R C 0.100 175.941 176.300 -0.764 0.000 0.998 492 R CA -0.576 55.252 56.100 -0.454 0.000 0.895 492 R CB 1.252 31.417 30.300 -0.225 0.000 1.195 492 R HN 0.737 nan 8.270 nan 0.000 0.450 493 G N 0.846 109.512 108.800 -0.223 0.000 2.623 493 G HA2 -0.187 3.776 3.960 0.005 0.000 0.214 493 G HA3 -0.187 3.776 3.960 0.005 0.000 0.214 493 G C 1.208 176.077 174.900 -0.051 0.000 1.138 493 G CA 0.542 45.645 45.100 0.005 0.000 0.794 493 G HN 0.743 nan 8.290 nan 0.000 0.535 494 S N 1.972 117.620 115.700 -0.087 0.000 2.359 494 S HA -0.223 4.250 4.470 0.005 0.000 0.223 494 S C 1.691 176.273 174.600 -0.031 0.000 1.039 494 S CA 1.992 60.157 58.200 -0.059 0.000 1.042 494 S CB -0.305 62.852 63.200 -0.071 0.000 0.915 494 S HN 0.476 nan 8.310 nan 0.000 0.439 495 D N -0.223 120.148 120.400 -0.047 0.000 2.469 495 D HA 0.173 4.816 4.640 0.005 0.000 0.213 495 D C 0.107 176.354 176.300 -0.089 0.000 1.135 495 D CA -0.166 53.833 54.000 -0.002 0.000 0.834 495 D CB -0.535 40.381 40.800 0.193 0.000 1.009 495 D HN 0.546 nan 8.370 nan 0.000 0.507 496 K N 0.108 120.364 120.400 -0.240 0.000 3.129 496 K HA -0.212 4.111 4.320 0.005 0.000 0.273 496 K C -0.089 176.386 176.600 -0.208 0.000 1.123 496 K CA 0.524 56.635 56.287 -0.293 0.000 0.800 496 K CB -1.363 31.142 32.500 0.009 0.000 1.238 496 K HN 0.319 nan 8.250 nan 0.000 0.492 497 R N 0.103 120.443 120.500 -0.267 0.000 2.607 497 R HA 0.575 4.918 4.340 0.005 0.000 0.261 497 R C 0.974 177.201 176.300 -0.121 0.000 1.051 497 R CA 0.075 56.124 56.100 -0.085 0.000 1.110 497 R CB 1.154 31.451 30.300 -0.005 0.000 1.158 497 R HN 0.317 nan 8.270 nan 0.000 0.543 498 G N -0.414 108.410 108.800 0.039 0.000 2.693 498 G HA2 0.154 4.117 3.960 0.005 0.000 0.226 498 G HA3 0.154 4.117 3.960 0.005 0.000 0.226 498 G C 0.030 175.064 174.900 0.224 0.000 1.354 498 G CA -0.391 44.764 45.100 0.092 0.000 0.873 498 G HN 1.167 nan 8.290 nan 0.000 0.562 499 G N -2.964 105.935 108.800 0.166 0.000 2.592 499 G HA2 0.475 4.438 3.960 0.005 0.000 0.684 499 G HA3 0.475 4.438 3.960 0.005 0.000 0.684 499 G C 0.917 175.815 174.900 -0.004 0.000 1.291 499 G CA 1.013 46.175 45.100 0.103 0.000 0.891 499 G HN 2.441 nan 8.290 nan 0.000 0.544 500 A N -0.251 122.525 122.820 -0.073 0.000 2.067 500 A HA 0.279 4.603 4.320 0.005 0.000 0.217 500 A C 1.299 178.856 177.584 -0.044 0.000 1.156 500 A CA 1.566 53.558 52.037 -0.074 0.000 0.683 500 A CB -0.316 18.619 19.000 -0.108 0.000 0.808 500 A HN 1.134 nan 8.150 nan 0.000 0.455 501 N N -0.148 118.529 118.700 -0.039 0.000 2.458 501 N HA 0.315 5.058 4.740 0.005 0.000 0.258 501 N C 1.141 176.645 175.510 -0.010 0.000 1.219 501 N CA 1.595 54.630 53.050 -0.024 0.000 0.902 501 N CB 0.609 39.084 38.487 -0.021 0.000 1.076 501 N HN 0.569 nan 8.380 nan 0.000 0.455 502 G N 2.279 111.073 108.800 -0.010 0.000 2.284 502 G HA2 -0.137 3.826 3.960 0.005 0.000 0.216 502 G HA3 -0.137 3.826 3.960 0.005 0.000 0.216 502 G C 0.394 175.285 174.900 -0.016 0.000 1.009 502 G CA 0.364 45.457 45.100 -0.011 0.000 0.625 502 G HN 1.643 nan 8.290 nan 0.000 0.501 503 A N -0.410 122.398 122.820 -0.020 0.000 2.745 503 A HA -0.252 4.071 4.320 0.005 0.000 0.296 503 A C 1.504 179.061 177.584 -0.046 0.000 1.500 503 A CA 2.249 54.269 52.037 -0.028 0.000 0.766 503 A CB -1.754 17.237 19.000 -0.015 0.000 1.030 503 A HN 1.043 nan 8.150 nan 0.000 0.489 504 R N -0.770 119.696 120.500 -0.057 0.000 2.280 504 R HA 0.056 4.399 4.340 0.005 0.000 0.207 504 R C 1.929 178.145 176.300 -0.141 0.000 1.043 504 R CA 1.179 57.227 56.100 -0.086 0.000 1.006 504 R CB -0.243 30.011 30.300 -0.076 0.000 0.885 504 R HN 0.829 nan 8.270 nan 0.000 0.467 505 I N 2.116 122.610 120.570 -0.126 0.000 2.567 505 I HA -0.262 3.911 4.170 0.005 0.000 0.257 505 I C 2.222 178.257 176.117 -0.136 0.000 1.184 505 I CA 1.241 62.449 61.300 -0.154 0.000 1.451 505 I CB 0.020 37.964 38.000 -0.093 0.000 1.089 505 I HN 0.104 nan 8.210 nan 0.000 0.441 506 R N 0.120 120.562 120.500 -0.097 0.000 2.310 506 R HA 0.172 4.515 4.340 0.005 0.000 0.202 506 R C 0.196 176.444 176.300 -0.085 0.000 0.933 506 R CA 0.019 56.075 56.100 -0.075 0.000 1.054 506 R CB -0.137 30.136 30.300 -0.046 0.000 0.985 506 R HN 0.294 nan 8.270 nan 0.000 0.489 507 L N 0.560 121.713 121.223 -0.116 0.000 2.304 507 L HA 0.608 4.952 4.340 0.005 0.000 0.268 507 L C 0.104 176.884 176.870 -0.150 0.000 1.010 507 L CA -1.495 53.282 54.840 -0.105 0.000 0.813 507 L CB 1.498 43.505 42.059 -0.087 0.000 1.315 507 L HN 0.024 nan 8.230 nan 0.000 0.445 508 A N 1.297 124.050 122.820 -0.111 0.000 2.407 508 A HA 0.407 4.730 4.320 0.005 0.000 0.248 508 A C -1.883 175.615 177.584 -0.144 0.000 1.082 508 A CA -0.892 51.070 52.037 -0.124 0.000 0.785 508 A CB -0.072 18.896 19.000 -0.054 0.000 1.020 508 A HN 0.588 nan 8.150 nan 0.000 0.489 509 P HA 0.032 nan 4.420 nan 0.000 0.261 509 P C 0.705 177.534 177.300 -0.785 0.000 1.268 509 P CA 0.395 63.338 63.100 -0.261 0.000 0.833 509 P CB 0.423 32.126 31.700 0.006 0.000 1.231 510 Q N 1.351 120.564 119.800 -0.978 0.000 2.124 510 Q HA -0.163 4.180 4.340 0.005 0.000 0.202 510 Q C 2.078 177.640 176.000 -0.731 0.000 0.977 510 Q CA 1.679 56.606 55.803 -1.461 0.000 0.850 510 Q CB -0.438 27.726 28.738 -0.958 0.000 0.901 510 Q HN 0.456 nan 8.270 nan 0.000 0.429 511 K N 0.162 120.319 120.400 -0.405 0.000 2.360 511 K HA -0.132 4.191 4.320 0.005 0.000 0.201 511 K C 0.536 177.063 176.600 -0.122 0.000 1.046 511 K CA 1.503 57.670 56.287 -0.201 0.000 0.945 511 K CB 0.244 32.667 32.500 -0.129 0.000 0.750 511 K HN 0.074 nan 8.250 nan 0.000 0.464 512 D N -0.399 119.916 120.400 -0.142 0.000 2.407 512 D HA 0.019 4.663 4.640 0.005 0.000 0.208 512 D C -0.242 176.146 176.300 0.147 0.000 1.083 512 D CA -0.087 53.916 54.000 0.004 0.000 0.844 512 D CB 0.120 40.933 40.800 0.021 0.000 0.967 512 D HN 0.154 nan 8.370 nan 0.000 0.506 513 W N 2.572 123.881 121.300 0.015 0.000 2.223 513 W HA 0.067 4.735 4.660 0.013 0.000 0.334 513 W C 1.857 178.374 176.519 -0.003 0.000 1.334 513 W CA -0.772 56.582 57.345 0.014 0.000 1.246 513 W CB 0.271 29.733 29.460 0.003 0.000 1.184 513 W HN 0.092 nan 8.180 nan 0.000 0.563 514 E N 2.494 122.841 120.200 0.246 0.000 2.058 514 E HA -0.228 4.125 4.350 0.005 0.000 0.194 514 E C 2.032 178.610 176.600 -0.037 0.000 0.997 514 E CA 1.987 58.466 56.400 0.132 0.000 0.801 514 E CB 0.047 29.865 29.700 0.196 0.000 0.746 514 E HN 0.477 nan 8.360 nan 0.000 0.450 515 A N 0.957 123.617 122.820 -0.267 0.000 2.024 515 A HA -0.180 4.143 4.320 0.005 0.000 0.220 515 A C 1.706 179.192 177.584 -0.163 0.000 1.164 515 A CA 1.559 53.199 52.037 -0.662 0.000 0.643 515 A CB -0.438 18.093 19.000 -0.782 0.000 0.806 515 A HN 0.274 nan 8.150 nan 0.000 0.451 516 N N -0.101 118.622 118.700 0.039 0.000 2.398 516 N HA 0.039 4.783 4.740 0.005 0.000 0.188 516 N C -0.493 175.053 175.510 0.059 0.000 1.122 516 N CA 0.367 53.468 53.050 0.085 0.000 0.866 516 N CB -0.138 38.419 38.487 0.117 0.000 0.970 516 N HN 0.573 nan 8.380 nan 0.000 0.462 517 Q N -0.894 118.933 119.800 0.044 0.000 2.453 517 Q HA -0.157 4.186 4.340 0.005 0.000 0.350 517 Q C -1.810 174.218 176.000 0.046 0.000 1.447 517 Q CA -0.221 55.611 55.803 0.048 0.000 0.968 517 Q CB -1.114 27.654 28.738 0.049 0.000 1.175 517 Q HN 0.270 nan 8.270 nan 0.000 0.354 518 P HA -0.262 nan 4.420 nan 0.000 0.218 518 P C 1.105 178.421 177.300 0.027 0.000 1.154 518 P CA 1.448 64.568 63.100 0.034 0.000 0.872 518 P CB 0.158 31.883 31.700 0.042 0.000 0.790 519 E N -0.462 119.757 120.200 0.032 0.000 2.047 519 E HA -0.210 4.143 4.350 0.005 0.000 0.191 519 E C 2.147 178.762 176.600 0.025 0.000 0.987 519 E CA 1.048 57.464 56.400 0.027 0.000 0.799 519 E CB -0.767 28.951 29.700 0.029 0.000 0.752 519 E HN 0.465 nan 8.360 nan 0.000 0.449 520 Q N 0.799 120.617 119.800 0.031 0.000 2.079 520 Q HA -0.147 4.196 4.340 0.005 0.000 0.200 520 Q C 2.369 178.387 176.000 0.029 0.000 0.974 520 Q CA 0.866 56.687 55.803 0.031 0.000 0.840 520 Q CB -0.122 28.639 28.738 0.037 0.000 0.898 520 Q HN 0.173 nan 8.270 nan 0.000 0.430 521 L N 1.153 122.394 121.223 0.030 0.000 1.990 521 L HA -0.187 4.156 4.340 0.005 0.000 0.213 521 L C 2.340 179.218 176.870 0.013 0.000 1.072 521 L CA 2.515 57.369 54.840 0.024 0.000 0.755 521 L CB -1.037 41.032 42.059 0.018 0.000 0.889 521 L HN 0.300 nan 8.230 nan 0.000 0.432 522 A N -0.533 122.293 122.820 0.010 0.000 1.908 522 A HA -0.168 4.155 4.320 0.005 0.000 0.218 522 A C 2.472 180.060 177.584 0.008 0.000 1.181 522 A CA 2.215 54.255 52.037 0.005 0.000 0.627 522 A CB -1.326 17.677 19.000 0.005 0.000 0.818 522 A HN 0.649 nan 8.150 nan 0.000 0.445 523 A N -0.621 122.206 122.820 0.012 0.000 1.908 523 A HA -0.038 4.285 4.320 0.005 0.000 0.218 523 A C 2.241 179.832 177.584 0.012 0.000 1.181 523 A CA 1.950 53.995 52.037 0.012 0.000 0.627 523 A CB -0.970 18.040 19.000 0.015 0.000 0.818 523 A HN 0.448 nan 8.150 nan 0.000 0.445 524 V N 0.036 119.960 119.914 0.016 0.000 2.358 524 V HA -0.227 3.896 4.120 0.005 0.000 0.246 524 V C 2.519 178.619 176.094 0.011 0.000 1.047 524 V CA 1.876 64.186 62.300 0.016 0.000 1.035 524 V CB -0.735 31.104 31.823 0.026 0.000 0.658 524 V HN 0.558 nan 8.190 nan 0.000 0.452 525 L N -0.280 120.948 121.223 0.008 0.000 2.109 525 L HA -0.121 4.223 4.340 0.005 0.000 0.207 525 L C 2.566 179.437 176.870 0.001 0.000 1.086 525 L CA 1.579 56.420 54.840 0.002 0.000 0.760 525 L CB -0.557 41.499 42.059 -0.004 0.000 0.910 525 L HN 0.409 nan 8.230 nan 0.000 0.437 526 E N 0.090 120.292 120.200 0.003 0.000 2.077 526 E HA -0.207 4.146 4.350 0.005 0.000 0.193 526 E C 1.954 178.557 176.600 0.004 0.000 0.989 526 E CA 1.848 58.250 56.400 0.003 0.000 0.800 526 E CB 0.135 29.838 29.700 0.004 0.000 0.746 526 E HN 0.366 nan 8.360 nan 0.000 0.452 527 T N 1.405 115.962 114.554 0.005 0.000 2.737 527 T HA -0.100 4.253 4.350 0.005 0.000 0.265 527 T C 1.901 176.602 174.700 0.002 0.000 1.038 527 T CA 1.092 63.194 62.100 0.004 0.000 1.144 527 T CB -0.179 68.692 68.868 0.005 0.000 0.866 527 T HN 0.153 nan 8.240 nan 0.000 0.434 528 L N 0.723 121.946 121.223 -0.001 0.000 2.042 528 L HA -0.146 4.197 4.340 0.005 0.000 0.210 528 L C 2.666 179.534 176.870 -0.003 0.000 1.076 528 L CA 1.537 56.373 54.840 -0.007 0.000 0.749 528 L CB -0.662 41.392 42.059 -0.010 0.000 0.893 528 L HN 0.335 nan 8.230 nan 0.000 0.432 529 E N 0.195 120.395 120.200 0.001 0.000 2.110 529 E HA -0.212 4.142 4.350 0.005 0.000 0.193 529 E C 2.292 178.899 176.600 0.011 0.000 0.988 529 E CA 1.198 57.601 56.400 0.005 0.000 0.804 529 E CB -0.185 29.517 29.700 0.003 0.000 0.745 529 E HN 0.510 nan 8.360 nan 0.000 0.458 530 A N 0.787 123.614 122.820 0.011 0.000 1.930 530 A HA -0.125 4.198 4.320 0.005 0.000 0.217 530 A C 2.135 179.734 177.584 0.025 0.000 1.175 530 A CA 0.884 52.930 52.037 0.015 0.000 0.627 530 A CB -0.413 18.594 19.000 0.012 0.000 0.815 530 A HN 0.144 nan 8.150 nan 0.000 0.443 531 I N -1.118 119.464 120.570 0.020 0.000 2.315 531 I HA -0.200 3.974 4.170 0.005 0.000 0.248 531 I C 2.691 178.845 176.117 0.061 0.000 1.117 531 I CA 1.328 62.646 61.300 0.031 0.000 1.404 531 I CB -0.234 37.767 38.000 0.002 0.000 1.071 531 I HN 0.357 nan 8.210 nan 0.000 0.419 532 R N 0.416 120.941 120.500 0.041 0.000 2.073 532 R HA -0.130 4.213 4.340 0.005 0.000 0.229 532 R C 2.248 178.608 176.300 0.100 0.000 1.120 532 R CA 1.841 57.980 56.100 0.064 0.000 0.967 532 R CB -0.211 30.104 30.300 0.025 0.000 0.862 532 R HN 0.215 nan 8.270 nan 0.000 0.436 533 T N 0.826 115.415 114.554 0.059 0.000 2.708 533 T HA -0.116 4.238 4.350 0.005 0.000 0.266 533 T C 1.821 176.549 174.700 0.047 0.000 1.037 533 T CA 1.467 63.592 62.100 0.043 0.000 1.146 533 T CB -0.336 68.546 68.868 0.023 0.000 0.865 533 T HN 0.453 nan 8.240 nan 0.000 0.435 534 A N 0.985 123.838 122.820 0.056 0.000 1.883 534 A HA -0.095 4.228 4.320 0.005 0.000 0.217 534 A C 2.051 179.671 177.584 0.060 0.000 1.186 534 A CA 1.696 53.762 52.037 0.048 0.000 0.624 534 A CB -1.037 17.993 19.000 0.051 0.000 0.822 534 A HN 0.519 nan 8.150 nan 0.000 0.444 535 F N 1.209 121.147 119.950 -0.020 0.000 2.113 535 F HA -0.169 4.361 4.527 0.004 0.000 0.297 535 F C 2.002 177.786 175.800 -0.027 0.000 1.103 535 F CA 2.019 60.006 58.000 -0.021 0.000 1.248 535 F CB -0.190 38.796 39.000 -0.022 0.000 0.999 535 F HN 0.199 nan 8.300 nan 0.000 0.475 536 N N 0.597 119.357 118.700 0.100 0.000 2.244 536 N HA -0.083 4.660 4.740 0.005 0.000 0.183 536 N C 2.084 177.532 175.510 -0.104 0.000 1.016 536 N CA 1.267 54.308 53.050 -0.015 0.000 0.866 536 N CB -1.142 37.370 38.487 0.042 0.000 0.980 536 N HN 0.470 nan 8.380 nan 0.000 0.430 537 G N 0.407 109.164 108.800 -0.071 0.000 2.408 537 G HA2 -0.136 3.828 3.960 0.005 0.000 0.217 537 G HA3 -0.136 3.828 3.960 0.005 0.000 0.217 537 G C 1.468 176.305 174.900 -0.106 0.000 1.150 537 G CA 0.865 45.923 45.100 -0.070 0.000 0.776 537 G HN 0.414 nan 8.290 nan 0.000 0.542 538 A N -0.550 122.176 122.820 -0.155 0.000 2.216 538 A HA 0.152 4.475 4.320 0.005 0.000 0.214 538 A C 1.436 178.882 177.584 -0.229 0.000 1.160 538 A CA 0.632 52.557 52.037 -0.187 0.000 0.725 538 A CB -0.096 18.778 19.000 -0.211 0.000 0.784 538 A HN 0.336 nan 8.150 nan 0.000 0.472 539 Q N 0.369 120.016 119.800 -0.255 0.000 2.306 539 Q HA 0.377 4.720 4.340 0.005 0.000 0.241 539 Q C -0.177 175.746 176.000 -0.129 0.000 0.948 539 Q CA 0.056 55.719 55.803 -0.233 0.000 0.886 539 Q CB 0.757 29.345 28.738 -0.250 0.000 1.227 539 Q HN 0.322 nan 8.270 nan 0.000 0.457 540 R N -0.654 119.786 120.500 -0.099 0.000 2.711 540 R HA 0.504 4.847 4.340 0.005 0.000 0.284 540 R C 0.492 176.771 176.300 -0.035 0.000 0.968 540 R CA -0.046 56.019 56.100 -0.057 0.000 0.924 540 R CB 1.566 31.839 30.300 -0.046 0.000 1.162 540 R HN 0.908 nan 8.270 nan 0.000 0.465 541 G N 0.101 108.889 108.800 -0.020 0.000 2.143 541 G HA2 -0.269 3.694 3.960 0.005 0.000 0.248 541 G HA3 -0.269 3.694 3.960 0.005 0.000 0.248 541 G C 0.761 175.668 174.900 0.012 0.000 0.991 541 G CA 0.690 45.789 45.100 -0.002 0.000 0.689 541 G HN 1.204 nan 8.290 nan 0.000 0.522 542 G N -0.805 107.996 108.800 0.002 0.000 2.176 542 G HA2 -0.252 3.711 3.960 0.005 0.000 0.253 542 G HA3 -0.252 3.711 3.960 0.005 0.000 0.253 542 G C 0.401 175.315 174.900 0.023 0.000 0.979 542 G CA 1.230 46.341 45.100 0.019 0.000 0.641 542 G HN 1.454 nan 8.290 nan 0.000 0.530 543 K N 1.221 121.634 120.400 0.020 0.000 2.451 543 K HA 0.367 4.690 4.320 0.005 0.000 0.280 543 K C 0.603 177.177 176.600 -0.042 0.000 1.020 543 K CA 0.681 56.995 56.287 0.045 0.000 1.008 543 K CB 0.080 32.620 32.500 0.068 0.000 0.917 543 K HN 0.688 nan 8.250 nan 0.000 0.478 544 Q N 1.480 121.192 119.800 -0.147 0.000 2.511 544 Q HA 0.440 4.784 4.340 0.005 0.000 0.289 544 Q C -1.765 174.221 176.000 -0.022 0.000 1.021 544 Q CA -1.148 54.578 55.803 -0.128 0.000 0.785 544 Q CB 1.845 30.390 28.738 -0.322 0.000 1.472 544 Q HN 0.347 nan 8.270 nan 0.000 0.411 545 V N 1.893 121.865 119.914 0.095 0.000 2.435 545 V HA 0.476 4.599 4.120 0.005 0.000 0.290 545 V C -0.209 175.906 176.094 0.035 0.000 1.030 545 V CA -0.018 62.316 62.300 0.056 0.000 0.881 545 V CB 1.694 33.473 31.823 -0.074 0.000 0.983 545 V HN 0.947 nan 8.190 nan 0.000 0.445 546 S N 5.794 121.540 115.700 0.076 0.000 2.593 546 S HA 0.151 4.624 4.470 0.005 0.000 0.269 546 S C 0.863 175.485 174.600 0.037 0.000 1.334 546 S CA -0.094 58.146 58.200 0.065 0.000 1.015 546 S CB 1.208 64.464 63.200 0.093 0.000 0.912 546 S HN 0.849 nan 8.310 nan 0.000 0.541 547 L N 2.287 123.524 121.223 0.024 0.000 2.141 547 L HA 0.124 4.468 4.340 0.005 0.000 0.209 547 L C 2.578 179.458 176.870 0.017 0.000 1.094 547 L CA 2.045 56.891 54.840 0.011 0.000 0.763 547 L CB -1.383 40.678 42.059 0.003 0.000 0.908 547 L HN 0.966 nan 8.230 nan 0.000 0.437 548 A N -0.686 122.148 122.820 0.025 0.000 1.883 548 A HA -0.257 4.066 4.320 0.005 0.000 0.217 548 A C 2.056 179.677 177.584 0.062 0.000 1.186 548 A CA 2.105 54.157 52.037 0.026 0.000 0.624 548 A CB -0.841 18.169 19.000 0.016 0.000 0.822 548 A HN 0.485 nan 8.150 nan 0.000 0.444 549 D N -0.682 119.778 120.400 0.100 0.000 2.097 549 D HA -0.107 4.536 4.640 0.005 0.000 0.197 549 D C 1.855 178.234 176.300 0.131 0.000 0.984 549 D CA 1.173 55.307 54.000 0.224 0.000 0.826 549 D CB -0.408 40.560 40.800 0.279 0.000 0.973 549 D HN 0.288 nan 8.370 nan 0.000 0.460 550 L N 0.850 122.081 121.223 0.013 0.000 2.079 550 L HA -0.112 4.231 4.340 0.005 0.000 0.210 550 L C 2.125 178.966 176.870 -0.047 0.000 1.081 550 L CA 1.211 56.005 54.840 -0.076 0.000 0.752 550 L CB -0.415 41.595 42.059 -0.081 0.000 0.896 550 L HN 0.032 nan 8.230 nan 0.000 0.433 551 I N -1.935 118.636 120.570 0.002 0.000 2.208 551 I HA -0.300 3.874 4.170 0.005 0.000 0.245 551 I C 2.262 178.411 176.117 0.053 0.000 1.097 551 I CA 1.183 62.496 61.300 0.022 0.000 1.363 551 I CB -0.355 37.658 38.000 0.021 0.000 1.051 551 I HN 0.066 nan 8.210 nan 0.000 0.413 552 V N 0.391 120.353 119.914 0.080 0.000 2.323 552 V HA -0.242 3.882 4.120 0.005 0.000 0.244 552 V C 2.324 178.485 176.094 0.112 0.000 1.041 552 V CA 1.445 63.833 62.300 0.147 0.000 1.025 552 V CB -0.483 31.479 31.823 0.231 0.000 0.656 552 V HN 0.342 nan 8.190 nan 0.000 0.451 553 L N 0.939 122.079 121.223 -0.138 0.000 2.083 553 L HA -0.071 4.272 4.340 0.005 0.000 0.209 553 L C 2.410 179.156 176.870 -0.206 0.000 1.083 553 L CA 2.324 56.858 54.840 -0.508 0.000 0.752 553 L CB -0.926 40.595 42.059 -0.896 0.000 0.899 553 L HN 0.229 nan 8.230 nan 0.000 0.433 554 A N -0.710 122.048 122.820 -0.104 0.000 1.930 554 A HA -0.024 4.299 4.320 0.005 0.000 0.217 554 A C 2.344 179.951 177.584 0.038 0.000 1.175 554 A CA 1.365 53.377 52.037 -0.041 0.000 0.627 554 A CB -1.490 17.496 19.000 -0.023 0.000 0.815 554 A HN 0.507 nan 8.150 nan 0.000 0.443 555 G N -0.757 108.128 108.800 0.142 0.000 2.418 555 G HA2 -0.276 3.688 3.960 0.005 0.000 0.217 555 G HA3 -0.276 3.688 3.960 0.005 0.000 0.217 555 G C 1.582 176.617 174.900 0.225 0.000 1.158 555 G CA 1.331 46.610 45.100 0.300 0.000 0.771 555 G HN 0.518 nan 8.290 nan 0.000 0.545 556 C N 0.924 120.378 119.300 0.258 0.000 2.429 556 C HA 0.139 4.602 4.460 0.005 0.000 0.277 556 C C 3.544 178.537 174.990 0.006 0.000 1.262 556 C CA 0.840 59.959 59.018 0.168 0.000 1.733 556 C CB -1.000 26.844 27.740 0.173 0.000 2.010 556 C HN 0.576 nan 8.230 nan 0.000 0.483 557 A N 0.859 123.667 122.820 -0.020 0.000 1.902 557 A HA 0.048 4.371 4.320 0.005 0.000 0.217 557 A C 2.422 179.975 177.584 -0.052 0.000 1.181 557 A CA 2.105 54.115 52.037 -0.044 0.000 0.623 557 A CB -1.274 17.693 19.000 -0.056 0.000 0.818 557 A HN 0.551 nan 8.150 nan 0.000 0.443 558 G N -0.542 108.227 108.800 -0.052 0.000 2.440 558 G HA2 -0.144 3.819 3.960 0.005 0.000 0.218 558 G HA3 -0.144 3.819 3.960 0.005 0.000 0.218 558 G C 1.496 176.310 174.900 -0.142 0.000 1.154 558 G CA 1.305 46.358 45.100 -0.079 0.000 0.767 558 G HN 0.336 nan 8.290 nan 0.000 0.552 559 V N 0.655 120.435 119.914 -0.222 0.000 2.427 559 V HA -0.159 3.965 4.120 0.005 0.000 0.248 559 V C 2.658 178.664 176.094 -0.146 0.000 1.051 559 V CA 2.126 64.260 62.300 -0.277 0.000 1.048 559 V CB -0.478 31.075 31.823 -0.451 0.000 0.666 559 V HN 0.474 nan 8.190 nan 0.000 0.456 560 E N -0.217 119.928 120.200 -0.092 0.000 2.058 560 E HA -0.318 4.035 4.350 0.005 0.000 0.194 560 E C 2.272 178.850 176.600 -0.037 0.000 0.997 560 E CA 1.566 57.939 56.400 -0.045 0.000 0.801 560 E CB -0.172 29.512 29.700 -0.026 0.000 0.746 560 E HN 0.499 nan 8.360 nan 0.000 0.450 561 Q N 0.898 120.670 119.800 -0.046 0.000 2.061 561 Q HA -0.160 4.183 4.340 0.005 0.000 0.204 561 Q C 1.968 177.944 176.000 -0.040 0.000 0.984 561 Q CA 2.062 57.843 55.803 -0.037 0.000 0.846 561 Q CB -0.450 28.264 28.738 -0.039 0.000 0.902 561 Q HN 0.253 nan 8.270 nan 0.000 0.421 562 A N 0.203 122.981 122.820 -0.070 0.000 1.902 562 A HA -0.068 4.255 4.320 0.005 0.000 0.217 562 A C 2.291 179.852 177.584 -0.039 0.000 1.181 562 A CA 2.003 53.995 52.037 -0.075 0.000 0.623 562 A CB -1.196 17.721 19.000 -0.138 0.000 0.818 562 A HN 0.530 nan 8.150 nan 0.000 0.443 563 A N -0.209 122.591 122.820 -0.034 0.000 1.902 563 A HA -0.183 4.140 4.320 0.005 0.000 0.217 563 A C 2.147 179.781 177.584 0.083 0.000 1.181 563 A CA 2.018 54.075 52.037 0.033 0.000 0.623 563 A CB -0.467 18.545 19.000 0.020 0.000 0.818 563 A HN 0.563 nan 8.150 nan 0.000 0.443 564 K N -0.374 120.049 120.400 0.037 0.000 2.057 564 K HA -0.197 4.126 4.320 0.005 0.000 0.207 564 K C 1.578 178.189 176.600 0.018 0.000 1.049 564 K CA 1.523 57.827 56.287 0.028 0.000 0.931 564 K CB -0.241 32.265 32.500 0.010 0.000 0.714 564 K HN 0.403 nan 8.250 nan 0.000 0.440 565 N N 0.693 119.399 118.700 0.011 0.000 2.192 565 N HA -0.170 4.573 4.740 0.005 0.000 0.188 565 N C 1.219 176.741 175.510 0.019 0.000 1.013 565 N CA 1.459 54.513 53.050 0.007 0.000 0.863 565 N CB -0.218 38.267 38.487 -0.004 0.000 0.990 565 N HN 0.307 nan 8.380 nan 0.000 0.430 566 A N -0.673 122.178 122.820 0.053 0.000 2.345 566 A HA 0.491 4.814 4.320 0.005 0.000 0.225 566 A C 1.304 178.892 177.584 0.006 0.000 1.243 566 A CA 0.501 52.588 52.037 0.083 0.000 0.875 566 A CB -0.220 18.896 19.000 0.195 0.000 0.929 566 A HN 0.274 nan 8.150 nan 0.000 0.502 567 G N -0.435 108.344 108.800 -0.034 0.000 2.137 567 G HA2 -0.199 3.764 3.960 0.005 0.000 0.237 567 G HA3 -0.199 3.764 3.960 0.005 0.000 0.237 567 G C -0.111 174.646 174.900 -0.238 0.000 1.002 567 G CA 0.259 45.282 45.100 -0.128 0.000 0.702 567 G HN 0.684 nan 8.290 nan 0.000 0.515 568 H N -0.325 118.755 119.070 0.016 0.000 2.492 568 H HA 0.662 5.221 4.556 0.005 0.000 0.345 568 H C 0.219 175.554 175.328 0.011 0.000 1.136 568 H CA 0.125 56.185 56.048 0.020 0.000 1.202 568 H CB 2.013 31.792 29.762 0.029 0.000 1.524 568 H HN 0.516 nan 8.280 nan 0.000 0.506 569 A N 3.429 126.330 122.820 0.134 0.000 2.273 569 A HA 0.504 4.827 4.320 0.005 0.000 0.320 569 A C -0.542 177.087 177.584 0.075 0.000 1.358 569 A CA -0.519 51.563 52.037 0.075 0.000 0.910 569 A CB 0.081 19.110 19.000 0.048 0.000 1.159 569 A HN 0.362 nan 8.150 nan 0.000 0.526 570 V N 2.849 122.798 119.914 0.057 0.000 2.577 570 V HA 0.545 4.668 4.120 0.005 0.000 0.303 570 V C 0.030 176.142 176.094 0.030 0.000 1.042 570 V CA -0.501 61.824 62.300 0.041 0.000 0.872 570 V CB 2.198 34.038 31.823 0.028 0.000 0.998 570 V HN 0.926 nan 8.190 nan 0.000 0.423 571 T N 2.347 116.920 114.554 0.032 0.000 2.867 571 T HA 0.717 5.070 4.350 0.005 0.000 0.282 571 T C -0.398 174.329 174.700 0.046 0.000 1.000 571 T CA -0.690 61.430 62.100 0.034 0.000 1.042 571 T CB 1.927 70.818 68.868 0.039 0.000 0.973 571 T HN 0.292 nan 8.240 nan 0.000 0.465 572 V N 4.365 124.315 119.914 0.059 0.000 2.427 572 V HA 0.378 4.501 4.120 0.005 0.000 0.286 572 V C -2.042 174.130 176.094 0.129 0.000 1.034 572 V CA -1.971 60.387 62.300 0.097 0.000 0.893 572 V CB 1.062 32.953 31.823 0.114 0.000 0.982 572 V HN 0.799 nan 8.190 nan 0.000 0.452 573 P HA 0.220 nan 4.420 nan 0.000 0.269 573 P C -1.073 176.349 177.300 0.204 0.000 1.209 573 P CA 0.084 63.254 63.100 0.117 0.000 0.776 573 P CB 0.271 32.004 31.700 0.055 0.000 0.876 574 F N 1.492 121.446 119.950 0.007 0.000 2.581 574 F HA 0.628 5.158 4.527 0.005 0.000 0.311 574 F C -1.423 174.362 175.800 -0.025 0.000 1.113 574 F CA -0.915 57.081 58.000 -0.005 0.000 0.935 574 F CB 1.632 40.634 39.000 0.005 0.000 1.232 574 F HN 0.382 nan 8.300 nan 0.000 0.445 575 A N 7.930 130.146 122.820 -1.005 0.000 2.293 575 A HA 0.705 5.028 4.320 0.005 0.000 0.312 575 A C -2.802 174.140 177.584 -1.071 0.000 1.309 575 A CA -1.643 49.937 52.037 -0.761 0.000 0.839 575 A CB 0.203 18.950 19.000 -0.422 0.000 1.155 575 A HN 0.483 nan 8.150 nan 0.000 0.501 576 P HA 0.438 nan 4.420 nan 0.000 0.274 576 P C 0.799 177.975 177.300 -0.207 0.000 1.260 576 P CA 1.020 63.906 63.100 -0.357 0.000 0.793 576 P CB 0.883 32.589 31.700 0.010 0.000 1.048 577 G N -1.124 107.627 108.800 -0.082 0.000 2.227 577 G HA2 -0.134 3.829 3.960 0.005 0.000 0.168 577 G HA3 -0.134 3.829 3.960 0.005 0.000 0.168 577 G C 0.166 175.032 174.900 -0.057 0.000 1.006 577 G CA -0.550 44.508 45.100 -0.072 0.000 0.684 577 G HN 0.508 nan 8.290 nan 0.000 0.489 578 R N 0.693 121.169 120.500 -0.040 0.000 2.594 578 R HA 0.641 4.984 4.340 0.005 0.000 0.272 578 R C 0.512 176.823 176.300 0.017 0.000 1.074 578 R CA 0.703 56.790 56.100 -0.021 0.000 1.105 578 R CB 1.000 31.293 30.300 -0.012 0.000 1.008 578 R HN 0.479 nan 8.270 nan 0.000 0.472 579 A N 1.658 124.484 122.820 0.010 0.000 2.346 579 A HA 0.406 4.729 4.320 0.005 0.000 0.313 579 A C -1.200 176.397 177.584 0.021 0.000 1.140 579 A CA -0.893 51.163 52.037 0.031 0.000 0.826 579 A CB 1.193 20.202 19.000 0.014 0.000 1.332 579 A HN 0.594 nan 8.150 nan 0.000 0.457 580 D N 1.287 121.703 120.400 0.027 0.000 2.329 580 D HA 0.519 5.162 4.640 0.005 0.000 0.232 580 D C 0.178 176.480 176.300 0.003 0.000 1.088 580 D CA 0.336 54.344 54.000 0.012 0.000 0.835 580 D CB 1.540 42.350 40.800 0.016 0.000 1.078 580 D HN 0.706 nan 8.370 nan 0.000 0.495 581 A N 2.111 124.926 122.820 -0.007 0.000 2.351 581 A HA 0.500 4.824 4.320 0.005 0.000 0.257 581 A C 0.731 178.308 177.584 -0.013 0.000 1.087 581 A CA -0.473 51.556 52.037 -0.012 0.000 0.798 581 A CB 0.398 19.388 19.000 -0.018 0.000 1.033 581 A HN 0.518 nan 8.150 nan 0.000 0.488 582 S N 0.478 116.171 115.700 -0.011 0.000 2.693 582 S HA 0.292 4.765 4.470 0.005 0.000 0.276 582 S C 0.856 175.448 174.600 -0.012 0.000 1.192 582 S CA -0.008 58.186 58.200 -0.010 0.000 0.994 582 S CB 1.117 64.314 63.200 -0.006 0.000 1.012 582 S HN 0.727 nan 8.310 nan 0.000 0.550 583 Q N 0.619 120.412 119.800 -0.012 0.000 2.135 583 Q HA -0.153 4.190 4.340 0.005 0.000 0.204 583 Q C 1.560 177.558 176.000 -0.002 0.000 0.981 583 Q CA 2.176 57.972 55.803 -0.012 0.000 0.856 583 Q CB -0.564 28.168 28.738 -0.011 0.000 0.902 583 Q HN 0.871 nan 8.270 nan 0.000 0.425 584 E N -0.203 119.998 120.200 0.001 0.000 2.204 584 E HA -0.133 4.220 4.350 0.005 0.000 0.194 584 E C 1.332 177.935 176.600 0.006 0.000 0.989 584 E CA 0.930 57.334 56.400 0.007 0.000 0.824 584 E CB 0.022 29.727 29.700 0.007 0.000 0.756 584 E HN 0.489 nan 8.360 nan 0.000 0.477 585 Q N -0.239 119.560 119.800 -0.002 0.000 2.415 585 Q HA 0.089 4.432 4.340 0.005 0.000 0.206 585 Q C -0.404 175.595 176.000 -0.003 0.000 0.946 585 Q CA 0.474 56.272 55.803 -0.009 0.000 0.951 585 Q CB 0.573 29.300 28.738 -0.019 0.000 1.026 585 Q HN -0.016 nan 8.270 nan 0.000 0.510 586 T N 0.878 115.436 114.554 0.006 0.000 3.009 586 T HA 0.046 4.399 4.350 0.005 0.000 0.346 586 T C -1.034 173.685 174.700 0.031 0.000 1.092 586 T CA -0.770 61.338 62.100 0.013 0.000 1.080 586 T CB 0.850 69.713 68.868 -0.008 0.000 1.037 586 T HN 0.033 nan 8.240 nan 0.000 0.487 587 D N 3.108 123.541 120.400 0.056 0.000 2.363 587 D HA 0.023 4.666 4.640 0.005 0.000 0.263 587 D C 1.248 177.596 176.300 0.080 0.000 1.258 587 D CA -0.082 53.964 54.000 0.076 0.000 0.907 587 D CB 1.007 41.872 40.800 0.109 0.000 1.107 587 D HN 0.184 nan 8.370 nan 0.000 0.495 588 V N 4.696 124.651 119.914 0.069 0.000 2.427 588 V HA -0.181 3.943 4.120 0.005 0.000 0.248 588 V C 2.207 178.366 176.094 0.110 0.000 1.051 588 V CA 1.376 63.721 62.300 0.074 0.000 1.048 588 V CB -0.269 31.588 31.823 0.057 0.000 0.666 588 V HN 0.551 nan 8.190 nan 0.000 0.456 589 E N -0.213 120.050 120.200 0.106 0.000 2.072 589 E HA -0.144 4.209 4.350 0.005 0.000 0.190 589 E C 2.446 179.123 176.600 0.128 0.000 0.982 589 E CA 1.454 57.923 56.400 0.114 0.000 0.803 589 E CB -0.545 29.215 29.700 0.100 0.000 0.755 589 E HN 0.535 nan 8.360 nan 0.000 0.453 590 S N 0.435 116.215 115.700 0.132 0.000 2.402 590 S HA -0.125 4.349 4.470 0.005 0.000 0.229 590 S C 1.848 176.542 174.600 0.156 0.000 1.021 590 S CA 0.864 59.151 58.200 0.145 0.000 0.974 590 S CB -0.041 63.255 63.200 0.160 0.000 0.800 590 S HN 0.048 nan 8.310 nan 0.000 0.484 591 M N 1.866 121.566 119.600 0.166 0.000 2.296 591 M HA 0.266 4.749 4.480 0.005 0.000 0.265 591 M C 1.905 178.408 176.300 0.339 0.000 1.064 591 M CA 1.084 56.515 55.300 0.219 0.000 1.109 591 M CB -1.065 31.631 32.600 0.160 0.000 1.396 591 M HN 0.345 nan 8.290 nan 0.000 0.430 592 A N -0.473 122.512 122.820 0.275 0.000 1.986 592 A HA -0.146 4.177 4.320 0.005 0.000 0.220 592 A C 2.035 179.678 177.584 0.099 0.000 1.171 592 A CA 2.137 54.321 52.037 0.246 0.000 0.640 592 A CB -1.522 17.578 19.000 0.168 0.000 0.811 592 A HN 0.584 nan 8.150 nan 0.000 0.451 593 V N -2.616 117.348 119.914 0.084 0.000 3.141 593 V HA 0.006 4.129 4.120 0.005 0.000 0.265 593 V C 1.825 177.898 176.094 -0.034 0.000 1.126 593 V CA 1.339 63.641 62.300 0.003 0.000 1.141 593 V CB -0.832 30.997 31.823 0.011 0.000 0.743 593 V HN 0.462 nan 8.190 nan 0.000 0.492 594 L N 0.432 121.678 121.223 0.037 0.000 2.599 594 L HA 0.226 4.569 4.340 0.005 0.000 0.230 594 L C 1.296 177.978 176.870 -0.313 0.000 1.141 594 L CA 0.291 55.141 54.840 0.016 0.000 0.877 594 L CB -0.282 41.911 42.059 0.223 0.000 1.009 594 L HN 0.465 nan 8.230 nan 0.000 0.447 595 E N 3.358 123.131 120.200 -0.712 0.000 2.417 595 E HA 0.052 4.405 4.350 0.005 0.000 0.261 595 E C -2.074 174.120 176.600 -0.677 0.000 1.000 595 E CA -1.699 53.784 56.400 -1.529 0.000 0.919 595 E CB 0.740 29.559 29.700 -1.469 0.000 0.955 595 E HN -0.023 nan 8.360 nan 0.000 0.455 596 P HA -0.027 nan 4.420 nan 0.000 0.281 596 P C 0.522 177.840 177.300 0.029 0.000 1.286 596 P CA -0.064 62.960 63.100 -0.127 0.000 0.772 596 P CB 1.225 32.932 31.700 0.011 0.000 0.862 597 V N 1.019 120.950 119.914 0.029 0.000 3.174 597 V HA 0.451 4.574 4.120 0.005 0.000 0.254 597 V C 0.707 176.902 176.094 0.168 0.000 1.120 597 V CA 0.710 63.091 62.300 0.136 0.000 1.114 597 V CB -0.555 31.287 31.823 0.030 0.000 0.756 597 V HN 0.501 nan 8.190 nan 0.000 0.467 598 A N 0.721 123.617 122.820 0.126 0.000 2.335 598 A HA 0.724 5.047 4.320 0.005 0.000 0.304 598 A C -1.410 176.306 177.584 0.221 0.000 1.118 598 A CA -0.191 51.928 52.037 0.137 0.000 0.757 598 A CB 1.411 20.440 19.000 0.047 0.000 1.188 598 A HN 0.302 nan 8.150 nan 0.000 0.460 599 D N 2.388 122.987 120.400 0.330 0.000 2.358 599 D HA 0.400 5.043 4.640 0.005 0.000 0.253 599 D C 1.213 177.660 176.300 0.244 0.000 1.288 599 D CA 0.345 54.551 54.000 0.344 0.000 0.950 599 D CB 1.042 42.113 40.800 0.452 0.000 1.197 599 D HN 0.487 nan 8.370 nan 0.000 0.550 600 G N 1.635 110.461 108.800 0.043 0.000 2.448 600 G HA2 -0.250 3.713 3.960 0.005 0.000 0.219 600 G HA3 -0.250 3.713 3.960 0.005 0.000 0.219 600 G C 1.247 176.033 174.900 -0.191 0.000 1.127 600 G CA 0.386 45.410 45.100 -0.126 0.000 0.766 600 G HN 0.512 nan 8.290 nan 0.000 0.552 601 F N 0.296 120.290 119.950 0.074 0.000 2.333 601 F HA 0.074 4.604 4.527 0.004 0.000 0.300 601 F C 2.608 178.287 175.800 -0.202 0.000 1.083 601 F CA 0.843 58.765 58.000 -0.130 0.000 1.395 601 F CB 0.175 39.056 39.000 -0.200 0.000 1.056 601 F HN 0.019 nan 8.300 nan 0.000 0.529 602 R N -0.345 120.242 120.500 0.146 0.000 2.509 602 R HA 0.101 4.445 4.340 0.005 0.000 0.300 602 R C -0.013 176.372 176.300 0.142 0.000 0.985 602 R CA -0.193 55.975 56.100 0.113 0.000 1.092 602 R CB -0.068 30.360 30.300 0.213 0.000 1.237 602 R HN -0.040 nan 8.270 nan 0.000 0.546 603 N N 1.149 119.911 118.700 0.103 0.000 2.725 603 N HA -0.273 4.470 4.740 0.005 0.000 0.251 603 N C -1.636 173.996 175.510 0.203 0.000 1.031 603 N CA 0.903 54.019 53.050 0.111 0.000 0.720 603 N CB -0.973 37.568 38.487 0.091 0.000 0.930 603 N HN 0.370 nan 8.380 nan 0.000 0.543 604 Y N 0.165 120.517 120.300 0.086 0.000 2.328 604 Y HA 0.638 5.193 4.550 0.007 0.000 0.336 604 Y C -0.798 175.161 175.900 0.098 0.000 0.960 604 Y CA -0.906 57.255 58.100 0.101 0.000 1.134 604 Y CB 0.970 39.506 38.460 0.127 0.000 1.166 604 Y HN 0.120 nan 8.280 nan 0.000 0.464 605 L N 7.736 128.622 121.223 -0.562 0.000 2.372 605 L HA 0.398 4.741 4.340 0.005 0.000 0.274 605 L C 0.942 177.345 176.870 -0.779 0.000 0.988 605 L CA -0.636 53.897 54.840 -0.513 0.000 0.833 605 L CB 2.052 43.976 42.059 -0.226 0.000 1.236 605 L HN 0.713 nan 8.230 nan 0.000 0.410 606 K N 1.931 121.927 120.400 -0.674 0.000 2.097 606 K HA -0.007 4.317 4.320 0.005 0.000 0.206 606 K C 0.774 177.217 176.600 -0.262 0.000 1.049 606 K CA 1.392 57.471 56.287 -0.348 0.000 0.933 606 K CB 0.278 32.801 32.500 0.038 0.000 0.717 606 K HN 0.848 nan 8.250 nan 0.000 0.442 607 G N -0.749 107.768 108.800 -0.472 0.000 2.871 607 G HA2 0.276 4.240 3.960 0.005 0.000 0.282 607 G HA3 0.276 4.240 3.960 0.005 0.000 0.282 607 G C -1.511 172.894 174.900 -0.825 0.000 1.212 607 G CA -0.674 44.102 45.100 -0.540 0.000 0.812 607 G HN -0.125 nan 8.290 nan 0.000 0.547 608 K N 0.807 120.808 120.400 -0.665 0.000 2.263 608 K HA 0.443 4.767 4.320 0.005 0.000 0.272 608 K C -1.427 174.870 176.600 -0.506 0.000 1.033 608 K CA -0.132 55.867 56.287 -0.480 0.000 0.884 608 K CB 1.146 33.504 32.500 -0.238 0.000 1.107 608 K HN 0.492 nan 8.250 nan 0.000 0.460 609 Y N 0.978 121.244 120.300 -0.056 0.000 2.567 609 Y HA 0.287 4.839 4.550 0.004 0.000 0.333 609 Y C 1.710 177.580 175.900 -0.051 0.000 1.106 609 Y CA -0.963 57.103 58.100 -0.057 0.000 1.157 609 Y CB 1.519 39.937 38.460 -0.071 0.000 1.277 609 Y HN 0.437 nan 8.280 nan 0.000 0.490 610 R N -0.394 120.190 120.500 0.141 0.000 2.297 610 R HA 0.174 4.517 4.340 0.005 0.000 0.197 610 R C -0.635 175.678 176.300 0.022 0.000 0.943 610 R CA 0.228 56.359 56.100 0.053 0.000 1.038 610 R CB -0.384 29.933 30.300 0.029 0.000 0.957 610 R HN 0.275 nan 8.270 nan 0.000 0.484 611 V N 4.177 124.104 119.914 0.022 0.000 2.461 611 V HA 0.217 4.340 4.120 0.005 0.000 0.275 611 V C -2.048 174.046 176.094 0.001 0.000 1.047 611 V CA -2.031 60.247 62.300 -0.037 0.000 0.955 611 V CB 1.302 33.051 31.823 -0.124 0.000 0.988 611 V HN 0.126 nan 8.190 nan 0.000 0.471 612 P HA 0.120 nan 4.420 nan 0.000 0.266 612 P C 0.717 178.013 177.300 -0.006 0.000 1.195 612 P CA 0.017 63.118 63.100 0.002 0.000 0.768 612 P CB 0.766 32.464 31.700 -0.003 0.000 0.838 613 A N 4.079 126.906 122.820 0.011 0.000 1.958 613 A HA -0.258 4.065 4.320 0.005 0.000 0.221 613 A C 1.889 179.449 177.584 -0.040 0.000 1.178 613 A CA 1.941 53.979 52.037 0.002 0.000 0.642 613 A CB -0.962 18.046 19.000 0.013 0.000 0.816 613 A HN 0.704 nan 8.150 nan 0.000 0.453 614 E N 0.186 120.351 120.200 -0.059 0.000 2.208 614 E HA -0.092 4.261 4.350 0.005 0.000 0.193 614 E C 1.834 178.363 176.600 -0.119 0.000 0.988 614 E CA 1.473 57.805 56.400 -0.113 0.000 0.828 614 E CB -0.874 28.741 29.700 -0.142 0.000 0.763 614 E HN 0.369 nan 8.360 nan 0.000 0.478 615 V N 1.886 121.746 119.914 -0.090 0.000 2.427 615 V HA -0.208 3.915 4.120 0.005 0.000 0.248 615 V C 2.631 178.667 176.094 -0.096 0.000 1.051 615 V CA 1.342 63.585 62.300 -0.096 0.000 1.048 615 V CB -0.550 31.219 31.823 -0.091 0.000 0.666 615 V HN 0.202 nan 8.190 nan 0.000 0.456 616 L N -0.611 120.562 121.223 -0.084 0.000 2.201 616 L HA -0.122 4.221 4.340 0.005 0.000 0.212 616 L C 2.386 179.221 176.870 -0.059 0.000 1.105 616 L CA 1.012 55.805 54.840 -0.077 0.000 0.775 616 L CB -0.494 41.528 42.059 -0.062 0.000 0.913 616 L HN 0.368 nan 8.230 nan 0.000 0.440 617 L N -0.638 120.535 121.223 -0.084 0.000 2.072 617 L HA -0.094 4.249 4.340 0.005 0.000 0.205 617 L C 2.324 179.150 176.870 -0.075 0.000 1.079 617 L CA 1.521 56.286 54.840 -0.124 0.000 0.752 617 L CB -0.307 41.641 42.059 -0.186 0.000 0.906 617 L HN -0.123 nan 8.230 nan 0.000 0.436 618 V N 0.294 120.157 119.914 -0.086 0.000 2.407 618 V HA -0.304 3.819 4.120 0.005 0.000 0.248 618 V C 2.310 178.392 176.094 -0.020 0.000 1.055 618 V CA 2.011 64.276 62.300 -0.059 0.000 1.049 618 V CB -0.849 30.908 31.823 -0.109 0.000 0.662 618 V HN 0.643 nan 8.190 nan 0.000 0.455 619 D N 0.074 120.452 120.400 -0.037 0.000 2.117 619 D HA -0.241 4.402 4.640 0.005 0.000 0.197 619 D C 2.107 178.419 176.300 0.020 0.000 0.987 619 D CA 1.409 55.389 54.000 -0.033 0.000 0.829 619 D CB -0.067 40.691 40.800 -0.071 0.000 0.961 619 D HN 0.266 nan 8.370 nan 0.000 0.460 620 K N 0.504 120.941 120.400 0.063 0.000 2.057 620 K HA 0.043 4.367 4.320 0.005 0.000 0.206 620 K C 1.862 178.612 176.600 0.250 0.000 1.050 620 K CA 1.489 57.871 56.287 0.158 0.000 0.935 620 K CB -0.785 31.849 32.500 0.223 0.000 0.715 620 K HN 0.138 nan 8.250 nan 0.000 0.439 621 A N 0.879 123.874 122.820 0.291 0.000 1.908 621 A HA -0.266 4.057 4.320 0.005 0.000 0.218 621 A C 2.251 179.935 177.584 0.167 0.000 1.181 621 A CA 2.014 54.241 52.037 0.317 0.000 0.627 621 A CB -0.743 18.424 19.000 0.279 0.000 0.818 621 A HN 0.625 nan 8.150 nan 0.000 0.445 622 Q N -0.414 119.445 119.800 0.097 0.000 2.050 622 Q HA -0.122 4.221 4.340 0.005 0.000 0.202 622 Q C 2.012 178.053 176.000 0.069 0.000 0.980 622 Q CA 1.497 57.335 55.803 0.059 0.000 0.840 622 Q CB -0.224 28.523 28.738 0.015 0.000 0.898 622 Q HN 0.691 nan 8.270 nan 0.000 0.424 623 L N 0.447 121.707 121.223 0.062 0.000 2.131 623 L HA -0.167 4.176 4.340 0.005 0.000 0.210 623 L C 2.169 179.107 176.870 0.112 0.000 1.092 623 L CA 0.669 55.538 54.840 0.048 0.000 0.759 623 L CB -0.205 41.862 42.059 0.014 0.000 0.903 623 L HN 0.297 nan 8.230 nan 0.000 0.435 624 L N -0.308 120.998 121.223 0.137 0.000 2.599 624 L HA -0.029 4.314 4.340 0.005 0.000 0.230 624 L C 1.227 178.173 176.870 0.127 0.000 1.141 624 L CA 0.770 55.698 54.840 0.148 0.000 0.877 624 L CB -0.584 41.525 42.059 0.082 0.000 1.009 624 L HN 0.558 nan 8.230 nan 0.000 0.447 625 T N -3.451 111.179 114.554 0.126 0.000 4.886 625 T HA -0.222 4.132 4.350 0.005 0.000 0.295 625 T C -0.000 174.751 174.700 0.086 0.000 1.495 625 T CA 0.401 62.566 62.100 0.108 0.000 2.670 625 T CB -2.675 66.261 68.868 0.115 0.000 1.686 625 T HN 0.179 nan 8.240 nan 0.000 0.981 626 L N 2.159 123.439 121.223 0.096 0.000 2.326 626 L HA 0.628 4.971 4.340 0.005 0.000 0.278 626 L C 1.386 178.329 176.870 0.122 0.000 1.092 626 L CA -0.446 54.457 54.840 0.105 0.000 0.810 626 L CB 1.313 43.454 42.059 0.136 0.000 1.153 626 L HN 0.564 nan 8.230 nan 0.000 0.439 627 S N 1.816 117.608 115.700 0.153 0.000 2.634 627 S HA 0.354 4.827 4.470 0.005 0.000 0.261 627 S C 1.131 175.890 174.600 0.265 0.000 1.271 627 S CA -0.133 58.208 58.200 0.236 0.000 0.985 627 S CB 1.439 64.810 63.200 0.285 0.000 0.968 627 S HN 0.687 nan 8.310 nan 0.000 0.568 628 A N 0.856 123.939 122.820 0.438 0.000 1.902 628 A HA 0.105 4.429 4.320 0.005 0.000 0.217 628 A C -0.404 177.368 177.584 0.313 0.000 1.181 628 A CA 1.357 53.591 52.037 0.329 0.000 0.623 628 A CB -2.134 17.085 19.000 0.365 0.000 0.818 628 A HN 0.716 nan 8.150 nan 0.000 0.443 629 P HA -0.130 nan 4.420 nan 0.000 0.217 629 P C 1.130 178.563 177.300 0.222 0.000 1.150 629 P CA 1.441 64.706 63.100 0.275 0.000 0.832 629 P CB -0.051 31.785 31.700 0.226 0.000 0.787 630 E N -1.017 119.293 120.200 0.183 0.000 2.072 630 E HA -0.168 4.185 4.350 0.005 0.000 0.191 630 E C 2.003 178.692 176.600 0.149 0.000 0.985 630 E CA 0.969 57.438 56.400 0.115 0.000 0.801 630 E CB -0.527 29.222 29.700 0.081 0.000 0.750 630 E HN 0.219 nan 8.360 nan 0.000 0.452 631 M N 0.781 120.531 119.600 0.250 0.000 2.086 631 M HA -0.181 4.302 4.480 0.005 0.000 0.261 631 M C 2.005 178.533 176.300 0.379 0.000 1.067 631 M CA 1.703 57.246 55.300 0.406 0.000 1.116 631 M CB -0.193 32.666 32.600 0.432 0.000 1.348 631 M HN -0.002 nan 8.290 nan 0.000 0.407 632 T N 0.149 114.917 114.554 0.356 0.000 2.635 632 T HA -0.190 4.163 4.350 0.005 0.000 0.267 632 T C 1.714 176.509 174.700 0.157 0.000 1.040 632 T CA 1.898 64.167 62.100 0.283 0.000 1.156 632 T CB -0.686 68.433 68.868 0.417 0.000 0.863 632 T HN 0.386 nan 8.240 nan 0.000 0.430 633 V N 1.056 120.995 119.914 0.043 0.000 2.453 633 V HA -0.013 4.110 4.120 0.005 0.000 0.247 633 V C 2.235 178.474 176.094 0.241 0.000 1.048 633 V CA 1.200 63.481 62.300 -0.032 0.000 1.049 633 V CB -0.343 31.241 31.823 -0.397 0.000 0.672 633 V HN 0.370 nan 8.190 nan 0.000 0.457 634 L N -0.135 121.173 121.223 0.142 0.000 1.994 634 L HA -0.121 4.222 4.340 0.005 0.000 0.208 634 L C 2.218 179.199 176.870 0.187 0.000 1.071 634 L CA 2.502 57.420 54.840 0.131 0.000 0.745 634 L CB -0.750 41.272 42.059 -0.061 0.000 0.892 634 L HN 0.375 nan 8.230 nan 0.000 0.431 635 L N -0.808 120.487 121.223 0.120 0.000 2.017 635 L HA -0.054 4.289 4.340 0.005 0.000 0.208 635 L C 2.353 178.889 176.870 -0.557 0.000 1.073 635 L CA 1.742 56.504 54.840 -0.131 0.000 0.745 635 L CB -1.062 40.804 42.059 -0.322 0.000 0.894 635 L HN 0.394 nan 8.230 nan 0.000 0.432 636 G N -0.833 107.547 108.800 -0.699 0.000 2.505 636 G HA2 -0.301 3.662 3.960 0.005 0.000 0.220 636 G HA3 -0.301 3.662 3.960 0.005 0.000 0.220 636 G C 1.426 176.070 174.900 -0.426 0.000 1.145 636 G CA 0.770 45.255 45.100 -1.025 0.000 0.761 636 G HN 0.581 nan 8.290 nan 0.000 0.571 637 G N 0.565 109.372 108.800 0.012 0.000 2.394 637 G HA2 -0.062 3.901 3.960 0.005 0.000 0.214 637 G HA3 -0.062 3.901 3.960 0.005 0.000 0.214 637 G C 1.829 176.537 174.900 -0.320 0.000 1.176 637 G CA 0.630 45.586 45.100 -0.240 0.000 0.786 637 G HN 0.415 nan 8.290 nan 0.000 0.533 638 L N -0.045 121.112 121.223 -0.110 0.000 2.042 638 L HA -0.102 4.241 4.340 0.005 0.000 0.210 638 L C 3.209 179.946 176.870 -0.222 0.000 1.076 638 L CA 0.856 55.607 54.840 -0.149 0.000 0.749 638 L CB -0.365 41.576 42.059 -0.197 0.000 0.893 638 L HN 0.075 nan 8.230 nan 0.000 0.432 639 R N 0.125 120.437 120.500 -0.314 0.000 2.112 639 R HA -0.177 4.166 4.340 0.005 0.000 0.242 639 R C 2.182 178.352 176.300 -0.216 0.000 1.137 639 R CA 1.996 57.910 56.100 -0.310 0.000 0.944 639 R CB -1.209 28.801 30.300 -0.484 0.000 0.857 639 R HN 0.479 nan 8.270 nan 0.000 0.435 640 V N -1.517 118.263 119.914 -0.222 0.000 3.217 640 V HA 0.017 4.141 4.120 0.005 0.000 0.264 640 V C 1.978 177.985 176.094 -0.145 0.000 1.135 640 V CA 1.116 63.321 62.300 -0.159 0.000 1.142 640 V CB -0.497 31.235 31.823 -0.152 0.000 0.754 640 V HN 0.113 nan 8.190 nan 0.000 0.484 641 L N 1.310 122.426 121.223 -0.178 0.000 2.558 641 L HA 0.470 4.813 4.340 0.005 0.000 0.225 641 L C 1.795 178.606 176.870 -0.099 0.000 1.128 641 L CA 0.732 55.476 54.840 -0.159 0.000 0.868 641 L CB -0.424 41.506 42.059 -0.216 0.000 1.006 641 L HN 0.608 nan 8.230 nan 0.000 0.454 642 G N 0.100 108.847 108.800 -0.087 0.000 2.149 642 G HA2 -0.278 3.685 3.960 0.005 0.000 0.235 642 G HA3 -0.278 3.685 3.960 0.005 0.000 0.235 642 G C 0.774 175.657 174.900 -0.028 0.000 1.018 642 G CA 0.229 45.301 45.100 -0.048 0.000 0.728 642 G HN 0.399 nan 8.290 nan 0.000 0.508 643 A N -0.580 122.211 122.820 -0.048 0.000 2.235 643 A HA 0.294 4.617 4.320 0.005 0.000 0.208 643 A C 1.196 178.782 177.584 0.003 0.000 1.172 643 A CA 0.602 52.629 52.037 -0.016 0.000 0.786 643 A CB -0.120 18.841 19.000 -0.065 0.000 0.804 643 A HN 0.463 nan 8.150 nan 0.000 0.479 644 N N 0.410 119.107 118.700 -0.006 0.000 2.458 644 N HA 0.172 4.915 4.740 0.005 0.000 0.258 644 N C -0.102 175.449 175.510 0.068 0.000 1.219 644 N CA 0.127 53.197 53.050 0.032 0.000 0.902 644 N CB 0.695 39.194 38.487 0.021 0.000 1.076 644 N HN 0.033 nan 8.380 nan 0.000 0.455 645 V N 1.645 121.623 119.914 0.108 0.000 2.617 645 V HA 0.109 4.232 4.120 0.005 0.000 0.304 645 V C 1.496 177.653 176.094 0.104 0.000 1.040 645 V CA 1.042 63.407 62.300 0.108 0.000 1.149 645 V CB 0.156 32.067 31.823 0.146 0.000 0.914 645 V HN 0.968 nan 8.190 nan 0.000 0.487 646 G N 4.126 112.974 108.800 0.079 0.000 2.198 646 G HA2 -0.274 3.690 3.960 0.005 0.000 0.260 646 G HA3 -0.274 3.690 3.960 0.005 0.000 0.260 646 G C 0.367 175.293 174.900 0.043 0.000 1.025 646 G CA 0.270 45.410 45.100 0.067 0.000 0.769 646 G HN 0.884 nan 8.290 nan 0.000 0.507 647 Q N -1.738 118.084 119.800 0.036 0.000 2.436 647 Q HA -0.229 4.115 4.340 0.005 0.000 0.264 647 Q C 1.031 177.030 176.000 -0.002 0.000 1.093 647 Q CA 1.477 57.291 55.803 0.018 0.000 0.994 647 Q CB -1.959 26.789 28.738 0.017 0.000 1.434 647 Q HN 1.446 nan 8.270 nan 0.000 0.520 648 S N -0.123 115.575 115.700 -0.004 0.000 2.561 648 S HA -0.006 4.467 4.470 0.005 0.000 0.294 648 S C 1.336 175.897 174.600 -0.065 0.000 1.294 648 S CA 0.085 58.244 58.200 -0.068 0.000 1.055 648 S CB 0.500 63.684 63.200 -0.027 0.000 0.819 648 S HN 0.271 nan 8.310 nan 0.000 0.503 649 R N 2.599 123.025 120.500 -0.124 0.000 2.300 649 R HA 0.072 4.415 4.340 0.005 0.000 0.199 649 R C 0.007 176.352 176.300 0.075 0.000 0.920 649 R CA 0.181 56.276 56.100 -0.008 0.000 1.046 649 R CB -0.551 29.770 30.300 0.034 0.000 0.984 649 R HN 0.724 nan 8.270 nan 0.000 0.493 650 H N 0.483 119.610 119.070 0.095 0.000 2.929 650 H HA 0.124 4.683 4.556 0.005 0.000 0.317 650 H C 1.202 176.482 175.328 -0.079 0.000 1.031 650 H CA 0.551 56.661 56.048 0.102 0.000 1.466 650 H CB 0.576 30.405 29.762 0.112 0.000 1.482 650 H HN 0.387 nan 8.280 nan 0.000 0.561 651 G N 2.555 111.254 108.800 -0.168 0.000 2.168 651 G HA2 -0.314 3.649 3.960 0.005 0.000 0.263 651 G HA3 -0.314 3.649 3.960 0.005 0.000 0.263 651 G C 0.427 174.775 174.900 -0.921 0.000 0.977 651 G CA 0.357 44.865 45.100 -0.986 0.000 0.659 651 G HN 0.532 nan 8.290 nan 0.000 0.533 652 V N 1.837 121.523 119.914 -0.380 0.000 2.008 652 V HA 0.280 4.403 4.120 0.005 0.000 0.262 652 V C 0.830 176.883 176.094 -0.068 0.000 1.580 652 V CA -0.071 62.127 62.300 -0.170 0.000 1.515 652 V CB -0.926 30.887 31.823 -0.017 0.000 1.474 652 V HN 0.357 nan 8.190 nan 0.000 0.504 653 F N 1.793 121.537 119.950 -0.342 0.000 2.651 653 F HA 0.328 4.858 4.527 0.006 0.000 0.369 653 F C 0.968 176.363 175.800 -0.674 0.000 1.187 653 F CA -0.087 57.278 58.000 -1.058 0.000 1.335 653 F CB 0.158 38.435 39.000 -1.204 0.000 1.707 653 F HN 0.379 nan 8.300 nan 0.000 0.637 654 T N -0.441 114.099 114.554 -0.023 0.000 2.889 654 T HA 0.562 4.915 4.350 0.005 0.000 0.315 654 T C 0.098 174.955 174.700 0.263 0.000 1.291 654 T CA -0.147 62.021 62.100 0.114 0.000 1.028 654 T CB 1.735 70.614 68.868 0.018 0.000 1.235 654 T HN 0.205 nan 8.240 nan 0.000 0.491 655 A N 2.633 125.581 122.820 0.213 0.000 2.348 655 A HA 0.316 4.640 4.320 0.005 0.000 0.224 655 A C 0.980 178.616 177.584 0.087 0.000 1.227 655 A CA -0.147 51.981 52.037 0.153 0.000 0.885 655 A CB 0.018 19.094 19.000 0.126 0.000 0.933 655 A HN 0.672 nan 8.150 nan 0.000 0.506 656 R N 0.822 121.363 120.500 0.068 0.000 2.868 656 R HA 0.366 4.709 4.340 0.005 0.000 0.289 656 R C -0.608 175.701 176.300 0.016 0.000 1.443 656 R CA -0.385 55.736 56.100 0.036 0.000 1.651 656 R CB -0.007 30.310 30.300 0.028 0.000 1.242 656 R HN 0.375 nan 8.270 nan 0.000 0.621 657 E N 1.999 122.211 120.200 0.019 0.000 2.415 657 E HA -0.096 4.257 4.350 0.005 0.000 0.262 657 E C -0.306 176.282 176.600 -0.019 0.000 1.038 657 E CA 0.378 56.776 56.400 -0.004 0.000 0.921 657 E CB 0.487 30.193 29.700 0.009 0.000 0.950 657 E HN 0.513 nan 8.360 nan 0.000 0.438 658 Q N -1.115 118.658 119.800 -0.045 0.000 2.460 658 Q HA -0.252 4.091 4.340 0.005 0.000 0.248 658 Q C -1.127 174.841 176.000 -0.054 0.000 0.847 658 Q CA 0.622 56.392 55.803 -0.055 0.000 1.214 658 Q CB -1.753 26.963 28.738 -0.037 0.000 1.523 658 Q HN 0.495 nan 8.270 nan 0.000 0.602 659 A N 0.672 123.463 122.820 -0.048 0.000 2.342 659 A HA 0.677 5.000 4.320 0.005 0.000 0.323 659 A C -0.655 176.900 177.584 -0.048 0.000 1.125 659 A CA -0.635 51.384 52.037 -0.031 0.000 0.785 659 A CB 1.196 20.196 19.000 0.000 0.000 1.221 659 A HN 0.176 nan 8.150 nan 0.000 0.463 660 L N 3.571 124.771 121.223 -0.039 0.000 2.334 660 L HA 0.534 4.877 4.340 0.005 0.000 0.286 660 L C 0.508 177.434 176.870 0.094 0.000 1.108 660 L CA 0.812 55.620 54.840 -0.054 0.000 0.875 660 L CB -0.168 41.809 42.059 -0.136 0.000 1.246 660 L HN 0.895 nan 8.230 nan 0.000 0.439 661 T N 0.293 114.878 114.554 0.052 0.000 2.804 661 T HA 0.420 4.773 4.350 0.005 0.000 0.290 661 T C 0.438 174.884 174.700 -0.425 0.000 1.099 661 T CA -0.436 61.659 62.100 -0.007 0.000 1.011 661 T CB 1.198 70.060 68.868 -0.011 0.000 1.291 661 T HN 0.475 nan 8.240 nan 0.000 0.523 662 N N -0.360 118.034 118.700 -0.510 0.000 2.276 662 N HA 0.083 4.826 4.740 0.005 0.000 0.212 662 N C 0.207 175.598 175.510 -0.198 0.000 1.127 662 N CA -0.155 52.484 53.050 -0.685 0.000 0.834 662 N CB -0.243 38.023 38.487 -0.367 0.000 1.014 662 N HN 0.525 nan 8.380 nan 0.000 0.491 663 D N 0.969 121.262 120.400 -0.178 0.000 2.149 663 D HA -0.197 4.447 4.640 0.005 0.000 0.194 663 D C 1.271 177.484 176.300 -0.145 0.000 1.001 663 D CA 0.854 54.792 54.000 -0.102 0.000 0.849 663 D CB -0.397 40.362 40.800 -0.069 0.000 0.939 663 D HN 0.346 nan 8.370 nan 0.000 0.449 664 F N 0.432 120.151 119.950 -0.386 0.000 2.087 664 F HA -0.287 4.243 4.527 0.006 0.000 0.299 664 F C 1.978 177.534 175.800 -0.408 0.000 1.100 664 F CA 1.607 59.311 58.000 -0.493 0.000 1.226 664 F CB -0.447 38.039 39.000 -0.856 0.000 0.983 664 F HN -0.086 nan 8.300 nan 0.000 0.479 665 F N -0.699 119.217 119.950 -0.056 0.000 2.187 665 F HA -0.097 4.433 4.527 0.006 0.000 0.295 665 F C 2.310 178.041 175.800 -0.114 0.000 1.091 665 F CA 1.113 59.071 58.000 -0.069 0.000 1.308 665 F CB -1.128 37.911 39.000 0.066 0.000 1.030 665 F HN -0.244 nan 8.300 nan 0.000 0.487 666 V N 0.496 120.458 119.914 0.079 0.000 2.343 666 V HA -0.273 3.850 4.120 0.005 0.000 0.247 666 V C 2.070 178.144 176.094 -0.033 0.000 1.051 666 V CA 1.878 64.199 62.300 0.035 0.000 1.036 666 V CB -0.606 31.236 31.823 0.032 0.000 0.654 666 V HN 0.361 nan 8.190 nan 0.000 0.451 667 N N -0.003 118.620 118.700 -0.128 0.000 2.216 667 N HA -0.090 4.653 4.740 0.005 0.000 0.183 667 N C 1.739 177.049 175.510 -0.333 0.000 1.017 667 N CA 1.205 54.129 53.050 -0.211 0.000 0.861 667 N CB -0.363 37.882 38.487 -0.403 0.000 0.986 667 N HN 0.416 nan 8.380 nan 0.000 0.428 668 L N 1.176 122.131 121.223 -0.447 0.000 2.042 668 L HA -0.036 4.307 4.340 0.005 0.000 0.210 668 L C 1.709 178.475 176.870 -0.174 0.000 1.076 668 L CA 1.498 56.063 54.840 -0.458 0.000 0.749 668 L CB -0.410 41.311 42.059 -0.564 0.000 0.893 668 L HN 0.089 nan 8.230 nan 0.000 0.432 669 L N -0.597 120.580 121.223 -0.077 0.000 2.591 669 L HA 0.068 4.411 4.340 0.005 0.000 0.228 669 L C 0.310 177.196 176.870 0.028 0.000 1.133 669 L CA -0.186 54.654 54.840 0.001 0.000 0.880 669 L CB -0.570 41.512 42.059 0.037 0.000 1.033 669 L HN 0.195 nan 8.230 nan 0.000 0.450 670 D N 1.127 121.546 120.400 0.031 0.000 2.356 670 D HA -0.091 4.552 4.640 0.005 0.000 0.272 670 D C 1.036 177.379 176.300 0.071 0.000 1.337 670 D CA 0.117 54.148 54.000 0.052 0.000 0.970 670 D CB 0.989 41.830 40.800 0.068 0.000 1.092 670 D HN -0.056 nan 8.370 nan 0.000 0.516 671 M N 3.326 122.956 119.600 0.051 0.000 2.632 671 M HA 0.092 4.575 4.480 0.005 0.000 0.256 671 M C 1.758 178.073 176.300 0.025 0.000 1.080 671 M CA 0.775 56.103 55.300 0.047 0.000 1.084 671 M CB -0.318 32.300 32.600 0.031 0.000 1.439 671 M HN 0.368 nan 8.290 nan 0.000 0.509 672 G N -0.878 107.931 108.800 0.016 0.000 2.679 672 G HA2 -0.038 3.925 3.960 0.005 0.000 0.212 672 G HA3 -0.038 3.925 3.960 0.005 0.000 0.212 672 G C 0.320 175.193 174.900 -0.045 0.000 1.137 672 G CA 0.518 45.610 45.100 -0.012 0.000 0.787 672 G HN 0.459 nan 8.290 nan 0.000 0.534 673 T N -0.035 114.496 114.554 -0.037 0.000 2.807 673 T HA 0.472 4.825 4.350 0.005 0.000 0.279 673 T C -0.763 173.834 174.700 -0.172 0.000 0.993 673 T CA -0.498 61.507 62.100 -0.158 0.000 0.970 673 T CB 2.570 71.338 68.868 -0.165 0.000 0.950 673 T HN 0.268 nan 8.240 nan 0.000 0.441 674 E N 2.070 122.113 120.200 -0.263 0.000 2.191 674 E HA 0.430 4.783 4.350 0.005 0.000 0.274 674 E C -1.401 175.007 176.600 -0.320 0.000 0.948 674 E CA -0.846 55.461 56.400 -0.155 0.000 0.802 674 E CB 1.080 30.736 29.700 -0.074 0.000 1.137 674 E HN 0.541 nan 8.360 nan 0.000 0.397 675 W N 3.198 124.519 121.300 0.035 0.000 2.573 675 W HA 0.476 5.139 4.660 0.005 0.000 0.326 675 W C -0.383 176.217 176.519 0.135 0.000 1.049 675 W CA -0.621 56.777 57.345 0.088 0.000 1.220 675 W CB 1.535 31.027 29.460 0.053 0.000 1.373 675 W HN 0.299 nan 8.180 nan 0.000 0.507 676 K N 3.224 123.848 120.400 0.373 0.000 2.469 676 K HA 0.449 4.772 4.320 0.005 0.000 0.254 676 K C -2.686 174.103 176.600 0.316 0.000 0.939 676 K CA -2.039 54.434 56.287 0.310 0.000 0.812 676 K CB 2.401 34.986 32.500 0.141 0.000 1.301 676 K HN 0.026 nan 8.250 nan 0.000 0.433 677 P HA -0.018 nan 4.420 nan 0.000 0.271 677 P C -0.312 176.900 177.300 -0.147 0.000 1.218 677 P CA -0.221 62.706 63.100 -0.287 0.000 0.780 677 P CB 0.359 31.872 31.700 -0.311 0.000 0.901 678 T N -0.874 113.564 114.554 -0.193 0.000 2.860 678 T HA 0.320 4.673 4.350 0.005 0.000 0.299 678 T C 1.542 176.195 174.700 -0.078 0.000 1.045 678 T CA -0.008 62.039 62.100 -0.088 0.000 1.071 678 T CB 0.428 69.254 68.868 -0.069 0.000 0.985 678 T HN 0.408 nan 8.240 nan 0.000 0.537 679 A N 2.030 124.825 122.820 -0.041 0.000 1.865 679 A HA 0.132 4.455 4.320 0.005 0.000 0.217 679 A C 2.697 180.258 177.584 -0.038 0.000 1.191 679 A CA 1.918 53.936 52.037 -0.032 0.000 0.623 679 A CB -1.590 17.399 19.000 -0.018 0.000 0.826 679 A HN 1.305 nan 8.150 nan 0.000 0.444 680 A N -1.740 121.060 122.820 -0.033 0.000 1.972 680 A HA 0.017 4.340 4.320 0.005 0.000 0.219 680 A C 0.871 178.429 177.584 -0.044 0.000 1.169 680 A CA 1.774 53.794 52.037 -0.028 0.000 0.635 680 A CB -0.133 18.859 19.000 -0.013 0.000 0.810 680 A HN 0.461 nan 8.150 nan 0.000 0.446 681 D N -2.882 117.474 120.400 -0.073 0.000 2.613 681 D HA 0.480 5.123 4.640 0.005 0.000 0.230 681 D C 0.186 176.376 176.300 -0.183 0.000 1.365 681 D CA 0.271 54.210 54.000 -0.102 0.000 0.976 681 D CB 1.199 41.947 40.800 -0.085 0.000 1.415 681 D HN 0.059 nan 8.370 nan 0.000 0.589 682 A N 2.923 125.640 122.820 -0.171 0.000 2.248 682 A HA -0.034 4.289 4.320 0.005 0.000 0.210 682 A C 1.009 178.389 177.584 -0.340 0.000 1.174 682 A CA 0.819 52.718 52.037 -0.230 0.000 0.750 682 A CB 0.107 19.043 19.000 -0.107 0.000 0.780 682 A HN 0.428 nan 8.150 nan 0.000 0.478 683 D N -1.272 118.948 120.400 -0.301 0.000 2.441 683 D HA 0.220 4.863 4.640 0.005 0.000 0.210 683 D C -0.092 176.066 176.300 -0.237 0.000 1.102 683 D CA 0.385 54.273 54.000 -0.186 0.000 0.840 683 D CB 0.828 41.583 40.800 -0.075 0.000 0.990 683 D HN 0.163 nan 8.370 nan 0.000 0.505 684 V N 0.959 120.610 119.914 -0.438 0.000 2.715 684 V HA 0.501 4.624 4.120 0.005 0.000 0.310 684 V C -0.662 175.119 176.094 -0.522 0.000 1.054 684 V CA -0.733 61.379 62.300 -0.312 0.000 0.928 684 V CB 1.958 33.653 31.823 -0.213 0.000 1.007 684 V HN -0.179 nan 8.190 nan 0.000 0.437 685 F N 0.778 120.794 119.950 0.109 0.000 2.576 685 F HA 0.569 5.099 4.527 0.005 0.000 0.313 685 F C 0.190 176.205 175.800 0.358 0.000 1.078 685 F CA -0.710 57.441 58.000 0.250 0.000 0.921 685 F CB 1.930 41.122 39.000 0.320 0.000 1.232 685 F HN 0.389 nan 8.300 nan 0.000 0.459 686 E N 0.646 121.108 120.200 0.436 0.000 2.183 686 E HA 0.594 4.947 4.350 0.005 0.000 0.271 686 E C -0.474 176.130 176.600 0.007 0.000 0.919 686 E CA -0.800 55.738 56.400 0.229 0.000 0.781 686 E CB 2.119 31.873 29.700 0.090 0.000 1.140 686 E HN 0.805 nan 8.360 nan 0.000 0.402 687 G N 2.917 111.448 108.800 -0.450 0.000 2.502 687 G HA2 0.438 4.401 3.960 0.005 0.000 0.311 687 G HA3 0.438 4.401 3.960 0.005 0.000 0.311 687 G C -0.513 173.959 174.900 -0.713 0.000 1.270 687 G CA -0.491 43.817 45.100 -1.321 0.000 0.948 687 G HN 0.321 nan 8.290 nan 0.000 0.487 688 R N 1.820 121.998 120.500 -0.536 0.000 2.514 688 R HA 0.231 4.574 4.340 0.005 0.000 0.301 688 R C -0.535 175.592 176.300 -0.290 0.000 0.962 688 R CA -0.880 55.023 56.100 -0.328 0.000 0.882 688 R CB 1.841 32.018 30.300 -0.206 0.000 1.143 688 R HN 0.564 nan 8.270 nan 0.000 0.452 689 D N 2.486 122.739 120.400 -0.244 0.000 2.581 689 D HA -0.099 4.545 4.640 0.005 0.000 0.238 689 D C 0.757 176.978 176.300 -0.132 0.000 1.145 689 D CA 0.665 54.559 54.000 -0.177 0.000 0.866 689 D CB 0.762 41.468 40.800 -0.158 0.000 1.151 689 D HN 0.456 nan 8.370 nan 0.000 0.500 690 R N 2.980 123.415 120.500 -0.107 0.000 2.117 690 R HA -0.199 4.144 4.340 0.005 0.000 0.243 690 R C 1.802 178.066 176.300 -0.061 0.000 1.143 690 R CA 1.732 57.786 56.100 -0.075 0.000 0.968 690 R CB -0.086 30.183 30.300 -0.052 0.000 0.863 690 R HN 0.531 nan 8.270 nan 0.000 0.444 691 A N 0.263 123.047 122.820 -0.061 0.000 1.850 691 A HA -0.103 4.220 4.320 0.005 0.000 0.212 691 A C 2.247 179.799 177.584 -0.054 0.000 1.208 691 A CA 1.596 53.603 52.037 -0.050 0.000 0.609 691 A CB -0.736 18.238 19.000 -0.044 0.000 0.860 691 A HN 0.442 nan 8.150 nan 0.000 0.448 692 T N -4.072 110.442 114.554 -0.066 0.000 3.023 692 T HA 0.328 4.681 4.350 0.005 0.000 0.266 692 T C 1.572 176.229 174.700 -0.071 0.000 1.093 692 T CA 1.376 63.437 62.100 -0.066 0.000 1.129 692 T CB -0.213 68.611 68.868 -0.074 0.000 0.899 692 T HN 1.793 nan 8.240 nan 0.000 0.491 693 G N 1.296 110.045 108.800 -0.084 0.000 2.184 693 G HA2 -0.304 3.659 3.960 0.005 0.000 0.264 693 G HA3 -0.304 3.659 3.960 0.005 0.000 0.264 693 G C -0.126 174.711 174.900 -0.104 0.000 0.975 693 G CA 0.375 45.422 45.100 -0.088 0.000 0.642 693 G HN 0.922 nan 8.290 nan 0.000 0.536 694 E N 0.183 120.314 120.200 -0.115 0.000 2.414 694 E HA 0.299 4.652 4.350 0.005 0.000 0.263 694 E C 0.586 177.077 176.600 -0.182 0.000 1.000 694 E CA -0.803 55.518 56.400 -0.133 0.000 0.914 694 E CB 0.264 29.884 29.700 -0.134 0.000 0.948 694 E HN 0.343 nan 8.360 nan 0.000 0.444 695 L N 5.382 126.503 121.223 -0.169 0.000 2.534 695 L HA -0.017 4.327 4.340 0.005 0.000 0.271 695 L C 0.511 177.195 176.870 -0.309 0.000 1.178 695 L CA 0.956 55.675 54.840 -0.201 0.000 0.907 695 L CB 0.378 42.363 42.059 -0.123 0.000 1.164 695 L HN 0.612 nan 8.230 nan 0.000 0.482 696 K N 3.698 123.824 120.400 -0.457 0.000 2.287 696 K HA 0.212 4.536 4.320 0.005 0.000 0.199 696 K C -0.702 175.386 176.600 -0.854 0.000 1.061 696 K CA 0.698 56.476 56.287 -0.848 0.000 0.976 696 K CB 0.263 32.087 32.500 -1.128 0.000 0.898 696 K HN 0.574 nan 8.250 nan 0.000 0.492 697 W N 0.092 121.325 121.300 -0.112 0.000 3.025 697 W HA 0.276 4.939 4.660 0.005 0.000 0.343 697 W C -0.824 175.838 176.519 0.239 0.000 1.246 697 W CA -1.086 56.334 57.345 0.124 0.000 1.178 697 W CB 0.960 30.520 29.460 0.167 0.000 1.463 697 W HN -0.232 nan 8.180 nan 0.000 0.578 698 T N -0.725 114.288 114.554 0.765 0.000 2.916 698 T HA 0.941 5.294 4.350 0.005 0.000 0.292 698 T C -0.476 174.732 174.700 0.848 0.000 1.055 698 T CA -0.645 61.894 62.100 0.732 0.000 1.009 698 T CB 1.999 71.230 68.868 0.605 0.000 1.118 698 T HN 0.996 nan 8.240 nan 0.000 0.497 699 G N 0.425 109.614 108.800 0.648 0.000 2.677 699 G HA2 0.662 4.625 3.960 0.005 0.000 0.291 699 G HA3 0.662 4.625 3.960 0.005 0.000 0.291 699 G C -0.538 174.514 174.900 0.253 0.000 1.435 699 G CA -0.346 45.012 45.100 0.431 0.000 0.826 699 G HN 1.087 nan 8.290 nan 0.000 0.491 700 T N -2.201 112.436 114.554 0.138 0.000 2.922 700 T HA 0.435 4.788 4.350 0.005 0.000 0.281 700 T C 1.306 176.109 174.700 0.172 0.000 1.005 700 T CA -0.662 61.522 62.100 0.140 0.000 0.982 700 T CB 1.891 70.778 68.868 0.032 0.000 1.158 700 T HN 0.441 nan 8.240 nan 0.000 0.566 701 R N -0.429 120.189 120.500 0.197 0.000 2.120 701 R HA -0.010 4.334 4.340 0.005 0.000 0.234 701 R C 2.215 178.503 176.300 -0.020 0.000 1.123 701 R CA 0.883 57.023 56.100 0.067 0.000 0.975 701 R CB -0.807 29.559 30.300 0.111 0.000 0.866 701 R HN 0.446 nan 8.270 nan 0.000 0.446 702 V N 1.460 121.387 119.914 0.020 0.000 2.427 702 V HA -0.203 3.920 4.120 0.005 0.000 0.248 702 V C 1.545 177.728 176.094 0.148 0.000 1.051 702 V CA 1.761 64.079 62.300 0.030 0.000 1.048 702 V CB -0.316 31.509 31.823 0.004 0.000 0.666 702 V HN 0.277 nan 8.190 nan 0.000 0.456 703 D N 0.037 120.510 120.400 0.121 0.000 2.097 703 D HA -0.099 4.544 4.640 0.005 0.000 0.197 703 D C 1.900 178.320 176.300 0.201 0.000 0.984 703 D CA 1.118 55.249 54.000 0.218 0.000 0.826 703 D CB -0.041 40.824 40.800 0.110 0.000 0.973 703 D HN 0.295 nan 8.370 nan 0.000 0.460 704 L N 0.568 121.745 121.223 -0.077 0.000 2.418 704 L HA -0.011 4.333 4.340 0.005 0.000 0.218 704 L C 2.246 178.993 176.870 -0.205 0.000 1.125 704 L CA 0.466 55.122 54.840 -0.306 0.000 0.835 704 L CB -0.275 41.374 42.059 -0.683 0.000 0.953 704 L HN -0.107 nan 8.230 nan 0.000 0.454 705 V N -0.902 118.924 119.914 -0.146 0.000 2.490 705 V HA -0.288 3.836 4.120 0.005 0.000 0.250 705 V C 2.287 178.256 176.094 -0.209 0.000 1.061 705 V CA 1.704 63.875 62.300 -0.215 0.000 1.064 705 V CB -0.340 31.305 31.823 -0.298 0.000 0.670 705 V HN 0.356 nan 8.190 nan 0.000 0.461 706 F N 1.133 121.091 119.950 0.013 0.000 2.250 706 F HA -0.017 4.513 4.527 0.005 0.000 0.301 706 F C 2.215 178.048 175.800 0.056 0.000 1.077 706 F CA 1.470 59.531 58.000 0.102 0.000 1.348 706 F CB -0.651 38.498 39.000 0.249 0.000 1.040 706 F HN 0.324 nan 8.300 nan 0.000 0.509 707 G N -2.263 106.580 108.800 0.072 0.000 3.088 707 G HA2 0.025 3.989 3.960 0.005 0.000 0.217 707 G HA3 0.025 3.989 3.960 0.005 0.000 0.217 707 G C 1.431 176.285 174.900 -0.076 0.000 1.159 707 G CA 0.744 45.822 45.100 -0.036 0.000 0.760 707 G HN 0.367 nan 8.290 nan 0.000 0.550 708 S N -0.989 114.664 115.700 -0.079 0.000 2.891 708 S HA 0.113 4.586 4.470 0.005 0.000 0.247 708 S C 0.792 175.342 174.600 -0.083 0.000 1.063 708 S CA -0.352 57.786 58.200 -0.103 0.000 0.857 708 S CB -0.328 62.784 63.200 -0.146 0.000 0.800 708 S HN 0.319 nan 8.310 nan 0.000 0.540 709 H N 2.665 121.649 119.070 -0.143 0.000 2.964 709 H HA 0.170 4.729 4.556 0.006 0.000 0.328 709 H C 1.478 176.751 175.328 -0.091 0.000 1.030 709 H CA 1.023 56.992 56.048 -0.133 0.000 1.445 709 H CB 1.345 31.010 29.762 -0.161 0.000 1.449 709 H HN 0.535 nan 8.280 nan 0.000 0.581 710 S N 2.789 118.219 115.700 -0.450 0.000 2.402 710 S HA -0.191 4.282 4.470 0.005 0.000 0.229 710 S C 1.850 176.417 174.600 -0.054 0.000 1.021 710 S CA 1.137 59.205 58.200 -0.219 0.000 0.974 710 S CB -0.049 62.992 63.200 -0.265 0.000 0.800 710 S HN 0.793 nan 8.310 nan 0.000 0.484 711 Q N 0.801 120.635 119.800 0.057 0.000 2.096 711 Q HA 0.130 4.473 4.340 0.005 0.000 0.197 711 Q C 2.165 178.308 176.000 0.239 0.000 0.964 711 Q CA 0.808 56.728 55.803 0.196 0.000 0.838 711 Q CB -0.202 28.699 28.738 0.271 0.000 0.906 711 Q HN 0.591 nan 8.270 nan 0.000 0.444 712 L N 0.246 121.673 121.223 0.340 0.000 2.083 712 L HA -0.154 4.189 4.340 0.005 0.000 0.209 712 L C 2.765 179.788 176.870 0.256 0.000 1.083 712 L CA 1.190 56.161 54.840 0.219 0.000 0.752 712 L CB -0.433 41.619 42.059 -0.011 0.000 0.899 712 L HN 0.231 nan 8.230 nan 0.000 0.433 713 R N 0.235 120.847 120.500 0.186 0.000 2.096 713 R HA -0.166 4.178 4.340 0.005 0.000 0.235 713 R C 2.344 178.722 176.300 0.130 0.000 1.127 713 R CA 1.285 57.479 56.100 0.156 0.000 0.968 713 R CB -0.187 30.155 30.300 0.071 0.000 0.861 713 R HN 0.355 nan 8.270 nan 0.000 0.440 714 A N 0.825 123.705 122.820 0.100 0.000 1.933 714 A HA -0.141 4.183 4.320 0.005 0.000 0.218 714 A C 2.093 179.723 177.584 0.075 0.000 1.175 714 A CA 1.180 53.255 52.037 0.064 0.000 0.628 714 A CB -0.398 18.628 19.000 0.044 0.000 0.814 714 A HN 0.303 nan 8.150 nan 0.000 0.444 715 L N -1.055 120.253 121.223 0.141 0.000 2.044 715 L HA -0.100 4.244 4.340 0.005 0.000 0.205 715 L C 3.096 180.072 176.870 0.177 0.000 1.075 715 L CA 0.937 55.875 54.840 0.164 0.000 0.747 715 L CB -0.723 41.497 42.059 0.270 0.000 0.903 715 L HN 0.387 nan 8.230 nan 0.000 0.435 716 A N 0.283 123.268 122.820 0.275 0.000 1.948 716 A HA -0.263 4.060 4.320 0.005 0.000 0.220 716 A C 2.146 179.807 177.584 0.128 0.000 1.177 716 A CA 1.966 54.179 52.037 0.293 0.000 0.636 716 A CB -0.545 18.773 19.000 0.530 0.000 0.815 716 A HN 0.489 nan 8.150 nan 0.000 0.449 717 E N -0.514 119.742 120.200 0.093 0.000 2.085 717 E HA -0.159 4.194 4.350 0.005 0.000 0.194 717 E C 1.985 178.559 176.600 -0.044 0.000 0.994 717 E CA 1.402 57.821 56.400 0.032 0.000 0.801 717 E CB -0.369 29.345 29.700 0.022 0.000 0.743 717 E HN 0.417 nan 8.360 nan 0.000 0.453 718 V N 0.434 120.271 119.914 -0.129 0.000 2.255 718 V HA -0.290 3.833 4.120 0.005 0.000 0.247 718 V C 1.864 177.757 176.094 -0.334 0.000 1.051 718 V CA 1.961 64.093 62.300 -0.280 0.000 1.018 718 V CB -0.610 30.940 31.823 -0.455 0.000 0.641 718 V HN 0.334 nan 8.190 nan 0.000 0.445 719 Y N 0.409 120.583 120.300 -0.211 0.000 2.516 719 Y HA 0.090 4.643 4.550 0.006 0.000 0.291 719 Y C 2.278 178.066 175.900 -0.186 0.000 1.131 719 Y CA 0.744 58.663 58.100 -0.301 0.000 1.281 719 Y CB -0.229 37.746 38.460 -0.809 0.000 1.013 719 Y HN 0.332 nan 8.280 nan 0.000 0.554 720 G N -1.055 107.765 108.800 0.032 0.000 3.189 720 G HA2 0.065 4.028 3.960 0.005 0.000 0.225 720 G HA3 0.065 4.028 3.960 0.005 0.000 0.225 720 G C 0.177 175.111 174.900 0.058 0.000 1.159 720 G CA -0.182 44.988 45.100 0.117 0.000 0.763 720 G HN 0.054 nan 8.290 nan 0.000 0.549 721 S N -0.171 115.542 115.700 0.020 0.000 2.617 721 S HA 0.465 4.938 4.470 0.005 0.000 0.269 721 S C 1.642 176.259 174.600 0.028 0.000 1.292 721 S CA 0.024 58.232 58.200 0.012 0.000 1.010 721 S CB 1.685 64.874 63.200 -0.017 0.000 0.944 721 S HN 0.334 nan 8.310 nan 0.000 0.536 722 A N 1.513 124.348 122.820 0.026 0.000 2.015 722 A HA -0.109 4.214 4.320 0.005 0.000 0.219 722 A C 1.521 179.129 177.584 0.039 0.000 1.163 722 A CA 1.520 53.578 52.037 0.034 0.000 0.646 722 A CB -0.495 18.521 19.000 0.026 0.000 0.806 722 A HN 0.855 nan 8.150 nan 0.000 0.448 723 D N -0.852 119.565 120.400 0.029 0.000 2.328 723 D HA 0.321 4.964 4.640 0.005 0.000 0.226 723 D C 0.882 177.211 176.300 0.047 0.000 1.066 723 D CA 0.758 54.778 54.000 0.033 0.000 0.861 723 D CB -0.056 40.753 40.800 0.015 0.000 0.912 723 D HN 0.279 nan 8.370 nan 0.000 0.521 724 A N -0.159 122.699 122.820 0.063 0.000 2.431 724 A HA 0.132 4.455 4.320 0.005 0.000 0.239 724 A C 1.878 179.569 177.584 0.179 0.000 1.230 724 A CA 0.044 52.136 52.037 0.092 0.000 0.928 724 A CB -0.012 19.021 19.000 0.055 0.000 1.006 724 A HN 0.141 nan 8.150 nan 0.000 0.520 725 Q N 0.575 120.475 119.800 0.167 0.000 2.050 725 Q HA -0.173 4.170 4.340 0.005 0.000 0.202 725 Q C 1.787 177.912 176.000 0.208 0.000 0.980 725 Q CA 2.090 58.025 55.803 0.219 0.000 0.840 725 Q CB -0.106 28.767 28.738 0.226 0.000 0.898 725 Q HN 0.561 nan 8.270 nan 0.000 0.424 726 E N 0.321 120.624 120.200 0.172 0.000 2.047 726 E HA -0.197 4.156 4.350 0.005 0.000 0.191 726 E C 1.848 178.496 176.600 0.080 0.000 0.987 726 E CA 1.179 57.640 56.400 0.101 0.000 0.799 726 E CB -0.161 29.616 29.700 0.127 0.000 0.752 726 E HN 0.398 nan 8.360 nan 0.000 0.449 727 K N 0.190 120.664 120.400 0.123 0.000 2.063 727 K HA -0.194 4.130 4.320 0.005 0.000 0.208 727 K C 2.168 178.905 176.600 0.228 0.000 1.048 727 K CA 1.409 57.782 56.287 0.143 0.000 0.928 727 K CB -0.356 32.215 32.500 0.119 0.000 0.713 727 K HN 0.050 nan 8.250 nan 0.000 0.442 728 F N 0.947 121.013 119.950 0.192 0.000 2.134 728 F HA -0.174 4.356 4.527 0.005 0.000 0.299 728 F C 1.689 177.531 175.800 0.070 0.000 1.097 728 F CA 1.272 59.382 58.000 0.182 0.000 1.264 728 F CB -0.414 38.683 39.000 0.162 0.000 1.001 728 F HN -0.186 nan 8.300 nan 0.000 0.479 729 V N 1.315 121.096 119.914 -0.222 0.000 2.343 729 V HA -0.260 3.863 4.120 0.005 0.000 0.247 729 V C 2.665 178.627 176.094 -0.220 0.000 1.051 729 V CA 1.976 64.061 62.300 -0.359 0.000 1.036 729 V CB -0.655 30.954 31.823 -0.356 0.000 0.654 729 V HN 0.270 nan 8.190 nan 0.000 0.451 730 R N 0.246 120.679 120.500 -0.112 0.000 2.066 730 R HA -0.101 4.242 4.340 0.005 0.000 0.232 730 R C 1.963 178.236 176.300 -0.046 0.000 1.131 730 R CA 1.488 57.560 56.100 -0.047 0.000 0.955 730 R CB -1.090 29.209 30.300 -0.002 0.000 0.851 730 R HN 0.512 nan 8.270 nan 0.000 0.432 731 D N 0.208 120.585 120.400 -0.039 0.000 2.144 731 D HA -0.151 4.492 4.640 0.005 0.000 0.199 731 D C 1.669 177.891 176.300 -0.130 0.000 0.984 731 D CA 0.771 54.749 54.000 -0.036 0.000 0.834 731 D CB -0.370 40.477 40.800 0.077 0.000 0.955 731 D HN 0.133 nan 8.370 nan 0.000 0.465 732 F N 1.194 120.901 119.950 -0.406 0.000 2.146 732 F HA -0.186 4.344 4.527 0.004 0.000 0.298 732 F C 2.162 177.868 175.800 -0.157 0.000 1.096 732 F CA 0.920 58.686 58.000 -0.390 0.000 1.275 732 F CB -0.132 38.440 39.000 -0.714 0.000 1.008 732 F HN -0.220 nan 8.300 nan 0.000 0.480 733 V N 0.659 120.554 119.914 -0.031 0.000 2.332 733 V HA -0.342 3.781 4.120 0.005 0.000 0.248 733 V C 2.733 178.805 176.094 -0.037 0.000 1.055 733 V CA 1.850 64.150 62.300 -0.002 0.000 1.038 733 V CB -1.599 30.245 31.823 0.034 0.000 0.651 733 V HN 0.496 nan 8.190 nan 0.000 0.450 734 A N -0.538 122.242 122.820 -0.066 0.000 1.877 734 A HA -0.181 4.142 4.320 0.005 0.000 0.216 734 A C 2.472 179.994 177.584 -0.103 0.000 1.186 734 A CA 2.133 54.134 52.037 -0.060 0.000 0.620 734 A CB -0.773 18.201 19.000 -0.042 0.000 0.822 734 A HN 0.364 nan 8.150 nan 0.000 0.443 735 V N -0.616 119.197 119.914 -0.168 0.000 2.453 735 V HA -0.175 3.948 4.120 0.005 0.000 0.247 735 V C 2.031 177.985 176.094 -0.233 0.000 1.048 735 V CA 1.911 64.094 62.300 -0.196 0.000 1.049 735 V CB -0.504 31.199 31.823 -0.201 0.000 0.672 735 V HN 0.781 nan 8.190 nan 0.000 0.457 736 W N 1.305 122.280 121.300 -0.542 0.000 2.315 736 W HA -0.342 4.320 4.660 0.004 0.000 0.323 736 W C 2.306 178.696 176.519 -0.215 0.000 1.233 736 W CA 2.483 59.565 57.345 -0.439 0.000 1.267 736 W CB -0.713 28.443 29.460 -0.506 0.000 1.160 736 W HN 0.526 nan 8.180 nan 0.000 0.474 737 N N 0.930 119.585 118.700 -0.075 0.000 2.104 737 N HA -0.275 4.468 4.740 0.005 0.000 0.190 737 N C 1.937 177.310 175.510 -0.228 0.000 1.024 737 N CA 2.579 55.553 53.050 -0.127 0.000 0.853 737 N CB -0.737 37.743 38.487 -0.012 0.000 1.008 737 N HN 0.175 nan 8.380 nan 0.000 0.424 738 K N -0.147 120.129 120.400 -0.206 0.000 2.063 738 K HA -0.119 4.204 4.320 0.005 0.000 0.208 738 K C 1.645 178.059 176.600 -0.311 0.000 1.048 738 K CA 1.523 57.674 56.287 -0.227 0.000 0.928 738 K CB -0.151 32.248 32.500 -0.170 0.000 0.713 738 K HN 0.082 nan 8.250 nan 0.000 0.442 739 V N 1.402 121.106 119.914 -0.351 0.000 2.358 739 V HA -0.250 3.873 4.120 0.005 0.000 0.246 739 V C 2.436 178.236 176.094 -0.490 0.000 1.047 739 V CA 1.462 63.516 62.300 -0.410 0.000 1.035 739 V CB -0.370 31.226 31.823 -0.378 0.000 0.658 739 V HN 0.402 nan 8.190 nan 0.000 0.452 740 M N 0.385 119.650 119.600 -0.558 0.000 2.260 740 M HA -0.132 4.351 4.480 0.005 0.000 0.261 740 M C 1.401 177.484 176.300 -0.362 0.000 1.066 740 M CA 1.471 56.497 55.300 -0.456 0.000 1.082 740 M CB -1.286 31.074 32.600 -0.399 0.000 1.388 740 M HN 0.387 nan 8.290 nan 0.000 0.419 741 N N -0.005 118.468 118.700 -0.377 0.000 2.230 741 N HA 0.198 4.942 4.740 0.005 0.000 0.202 741 N C 1.592 176.786 175.510 -0.528 0.000 1.119 741 N CA 0.067 52.883 53.050 -0.389 0.000 0.851 741 N CB 0.152 38.444 38.487 -0.326 0.000 0.990 741 N HN 0.341 nan 8.380 nan 0.000 0.497 742 L N 0.807 121.645 121.223 -0.641 0.000 2.081 742 L HA -0.207 4.136 4.340 0.005 0.000 0.212 742 L C 1.178 177.225 176.870 -1.371 0.000 1.080 742 L CA 1.463 55.675 54.840 -1.046 0.000 0.754 742 L CB -0.186 41.104 42.059 -1.281 0.000 0.893 742 L HN 0.170 nan 8.230 nan 0.000 0.433 743 D N -1.663 118.217 120.400 -0.867 0.000 2.388 743 D HA -0.051 4.592 4.640 0.005 0.000 0.221 743 D C 0.755 176.790 176.300 -0.442 0.000 1.133 743 D CA -0.076 53.653 54.000 -0.452 0.000 0.831 743 D CB -0.016 40.819 40.800 0.059 0.000 0.962 743 D HN 0.030 nan 8.370 nan 0.000 0.502 744 R N 0.791 120.911 120.500 -0.632 0.000 4.518 744 R HA 0.201 4.545 4.340 0.005 0.000 0.243 744 R C 0.178 176.242 176.300 -0.394 0.000 1.720 744 R CA -0.369 55.494 56.100 -0.395 0.000 1.526 744 R CB -1.126 28.974 30.300 -0.334 0.000 1.425 744 R HN 0.237 nan 8.270 nan 0.000 0.787 745 F N 1.130 121.032 119.950 -0.079 0.000 2.365 745 F HA -0.181 4.349 4.527 0.004 0.000 0.300 745 F C 2.151 177.919 175.800 -0.054 0.000 1.090 745 F CA 1.084 59.054 58.000 -0.050 0.000 1.408 745 F CB 0.048 39.040 39.000 -0.012 0.000 1.060 745 F HN 0.275 nan 8.300 nan 0.000 0.534 746 D N 0.871 121.306 120.400 0.059 0.000 2.265 746 D HA -0.202 4.441 4.640 0.005 0.000 0.208 746 D C 1.487 177.767 176.300 -0.033 0.000 0.977 746 D CA 1.215 55.216 54.000 0.001 0.000 0.871 746 D CB -0.580 40.201 40.800 -0.032 0.000 0.925 746 D HN 0.352 nan 8.370 nan 0.000 0.485 747 L N -0.215 120.968 121.223 -0.068 0.000 2.667 747 L HA 0.389 4.732 4.340 0.005 0.000 0.232 747 L C 1.304 178.138 176.870 -0.059 0.000 1.138 747 L CA -0.440 54.351 54.840 -0.082 0.000 0.921 747 L CB 0.145 42.124 42.059 -0.133 0.000 1.180 747 L HN -0.017 nan 8.230 nan 0.000 0.487 748 A N 0.000 122.809 122.820 -0.018 0.000 2.254 748 A HA 0.000 4.323 4.320 0.005 0.000 0.244 748 A CA 0.000 52.044 52.037 0.012 0.000 0.836 748 A CB 0.000 19.070 19.000 0.117 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486