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 2g97_1_B DATA FIRST_RESID 9 DATA SEQUENCE FNILLATDSY KVTHYKQYPP NTSKVYSYFE CREXXXXXXX XXXXXYEETV DATA SEQUENCE FYGLQYILNK YLKGKVVTKE KIQEAKEVYR EHFQDDVFNE RGWNYILEKY DATA SEQUENCE DGHLPIEVKA VPEGSVIPRG NVLFTVENTD PECYWLTNWI ETILVQSWYP DATA SEQUENCE ITVATNSREQ KKILAKYLLE TSGNLDGLEY KLHDFGYRGV SSQETAGIGA DATA SEQUENCE SAHLVNFKGT DTVAGIALIK KYYGTKDPVP GYSVPAAEHS TITAWGKDHE DATA SEQUENCE KDAFEHIVTQ FSSVPVSVVS DSYDIYNACE KIWGEDLRHL IVSRSTEAPL DATA SEQUENCE IIRPDSGNPL DTVLKVLDIL GKKFPVSENS KGYKLLPPYL RVIQGDGVDI DATA SEQUENCE NTLQEIVEGM KQKKWSIENV SFGSGGALLQ KLTRDLLNCS FKCSYVVTNG DATA SEQUENCE LGVNVFKDPV ADPNKRSKKG RLSLHRTPAG TFVTLEEGKG DLEEYGHDLL DATA SEQUENCE HTVFKNGKVT KSYSFDEVRK NAQLN 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 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.808 175.800 0.014 0.000 0.967 9 F CA 0.000 58.023 58.000 0.038 0.000 1.383 9 F CB 0.000 39.078 39.000 0.130 0.000 1.145 10 N N 6.328 124.534 118.700 -0.824 0.000 2.511 10 N HA 0.226 4.965 4.740 -0.000 0.000 0.249 10 N C 0.672 175.632 175.510 -0.916 0.000 0.971 10 N CA -0.477 52.142 53.050 -0.720 0.000 0.938 10 N CB 1.141 39.383 38.487 -0.408 0.000 1.131 10 N HN 0.811 nan 8.380 nan 0.000 0.505 11 I N 4.496 124.580 120.570 -0.809 0.000 2.502 11 I HA -0.162 4.008 4.170 -0.000 0.000 0.258 11 I C 1.286 177.387 176.117 -0.027 0.000 1.172 11 I CA 1.368 62.465 61.300 -0.338 0.000 1.430 11 I CB 0.037 38.036 38.000 -0.002 0.000 1.086 11 I HN 0.659 nan 8.210 nan 0.000 0.440 12 L N -0.513 120.578 121.223 -0.221 0.000 2.610 12 L HA -0.025 4.315 4.340 -0.000 0.000 0.232 12 L C 1.264 178.303 176.870 0.283 0.000 1.149 12 L CA 0.514 55.334 54.840 -0.033 0.000 0.872 12 L CB -0.512 41.242 42.059 -0.509 0.000 0.992 12 L HN 0.264 nan 8.230 nan 0.000 0.447 13 L N -0.356 120.885 121.223 0.029 0.000 3.229 13 L HA 0.333 4.673 4.340 -0.000 0.000 0.286 13 L C 0.725 177.610 176.870 0.025 0.000 1.239 13 L CA -0.132 54.706 54.840 -0.003 0.000 1.035 13 L CB 0.585 42.511 42.059 -0.223 0.000 1.408 13 L HN 0.036 nan 8.230 nan 0.000 0.593 14 A N 0.275 123.152 122.820 0.095 0.000 3.150 14 A HA 0.641 4.960 4.320 -0.000 0.000 0.328 14 A C -0.062 177.575 177.584 0.087 0.000 1.104 14 A CA -0.144 51.949 52.037 0.093 0.000 0.937 14 A CB 0.355 19.448 19.000 0.154 0.000 1.073 14 A HN 0.100 nan 8.150 nan 0.000 0.497 15 T N -0.476 114.062 114.554 -0.027 0.000 2.830 15 T HA 0.308 4.657 4.350 -0.000 0.000 0.322 15 T C -1.579 173.045 174.700 -0.127 0.000 1.501 15 T CA -0.648 61.336 62.100 -0.194 0.000 1.036 15 T CB 1.026 69.452 68.868 -0.736 0.000 1.379 15 T HN 0.370 nan 8.240 nan 0.000 0.493 16 D N 1.986 122.344 120.400 -0.071 0.000 2.400 16 D HA 0.143 4.783 4.640 -0.000 0.000 0.238 16 D C 1.152 177.480 176.300 0.045 0.000 1.157 16 D CA 0.181 54.214 54.000 0.055 0.000 0.889 16 D CB 1.220 42.191 40.800 0.286 0.000 1.199 16 D HN 0.514 nan 8.370 nan 0.000 0.436 17 S N 0.920 116.686 115.700 0.110 0.000 2.356 17 S HA -0.206 4.263 4.470 -0.000 0.000 0.223 17 S C 1.964 176.745 174.600 0.302 0.000 1.032 17 S CA 1.022 59.322 58.200 0.167 0.000 1.005 17 S CB -0.530 62.688 63.200 0.030 0.000 0.867 17 S HN 0.694 nan 8.310 nan 0.000 0.449 18 Y N 1.668 121.961 120.300 -0.012 0.000 2.315 18 Y HA -0.051 4.498 4.550 -0.000 0.000 0.288 18 Y C 1.802 177.471 175.900 -0.384 0.000 1.154 18 Y CA 0.856 58.958 58.100 0.003 0.000 1.229 18 Y CB -0.527 37.993 38.460 0.100 0.000 0.980 18 Y HN 0.100 nan 8.280 nan 0.000 0.540 19 K N 0.820 120.701 120.400 -0.865 0.000 2.283 19 K HA -0.061 4.258 4.320 -0.000 0.000 0.202 19 K C 1.826 178.094 176.600 -0.555 0.000 1.048 19 K CA 1.135 56.506 56.287 -1.527 0.000 0.948 19 K CB -0.080 31.874 32.500 -0.910 0.000 0.742 19 K HN 0.257 nan 8.250 nan 0.000 0.458 20 V N 1.320 121.017 119.914 -0.362 0.000 2.626 20 V HA -0.207 3.913 4.120 -0.000 0.000 0.252 20 V C 2.299 178.397 176.094 0.006 0.000 1.067 20 V CA 2.221 64.411 62.300 -0.183 0.000 1.081 20 V CB -0.736 30.814 31.823 -0.455 0.000 0.686 20 V HN 0.534 nan 8.190 nan 0.000 0.468 21 T N -3.833 110.659 114.554 -0.103 0.000 3.065 21 T HA -0.043 4.307 4.350 -0.000 0.000 0.252 21 T C 1.660 176.322 174.700 -0.063 0.000 1.099 21 T CA 0.369 62.401 62.100 -0.114 0.000 1.063 21 T CB -0.283 68.522 68.868 -0.104 0.000 0.948 21 T HN 0.431 nan 8.240 nan 0.000 0.506 22 H N 1.928 120.932 119.070 -0.109 0.000 2.319 22 H HA -0.106 4.450 4.556 -0.000 0.000 0.297 22 H C 1.968 177.283 175.328 -0.022 0.000 1.097 22 H CA 1.812 57.784 56.048 -0.127 0.000 1.285 22 H CB -1.336 28.396 29.762 -0.050 0.000 1.368 22 H HN 0.780 nan 8.280 nan 0.000 0.495 23 Y N 2.093 122.577 120.300 0.306 0.000 2.264 23 Y HA -0.306 4.244 4.550 -0.001 0.000 0.282 23 Y C 1.597 177.695 175.900 0.329 0.000 1.204 23 Y CA 1.703 59.998 58.100 0.325 0.000 1.228 23 Y CB -0.575 37.834 38.460 -0.086 0.000 0.971 23 Y HN 0.311 nan 8.280 nan 0.000 0.538 24 K N 0.310 120.428 120.400 -0.469 0.000 2.440 24 K HA 0.205 4.524 4.320 -0.000 0.000 0.206 24 K C 0.642 177.140 176.600 -0.171 0.000 1.025 24 K CA 0.097 56.198 56.287 -0.309 0.000 1.135 24 K CB 0.130 32.281 32.500 -0.583 0.000 0.856 24 K HN 0.486 nan 8.250 nan 0.000 0.502 25 Q N -0.050 119.645 119.800 -0.175 0.000 2.217 25 Q HA 0.163 4.503 4.340 -0.000 0.000 0.217 25 Q C -0.582 175.275 176.000 -0.239 0.000 0.844 25 Q CA -0.242 55.415 55.803 -0.245 0.000 0.957 25 Q CB 0.280 28.796 28.738 -0.370 0.000 1.127 25 Q HN 0.286 nan 8.270 nan 0.000 0.503 26 Y N 1.512 121.839 120.300 0.044 0.000 2.298 26 Y HA 0.184 4.734 4.550 -0.001 0.000 0.329 26 Y C -1.730 174.175 175.900 0.008 0.000 1.293 26 Y CA -2.279 55.858 58.100 0.061 0.000 1.388 26 Y CB -0.028 38.539 38.460 0.178 0.000 1.309 26 Y HN -0.014 nan 8.280 nan 0.000 0.544 27 P HA 0.057 nan 4.420 nan 0.000 0.268 27 P C -2.621 174.693 177.300 0.023 0.000 1.208 27 P CA -0.892 62.247 63.100 0.065 0.000 0.777 27 P CB -0.028 31.703 31.700 0.050 0.000 0.875 28 P HA 0.124 nan 4.420 nan 0.000 0.271 28 P C -0.613 176.643 177.300 -0.073 0.000 1.216 28 P CA 0.426 63.502 63.100 -0.039 0.000 0.771 28 P CB 0.054 31.738 31.700 -0.025 0.000 0.864 29 N N -0.165 118.457 118.700 -0.130 0.000 2.858 29 N HA -0.110 4.629 4.740 -0.000 0.000 0.247 29 N C -1.109 174.295 175.510 -0.176 0.000 1.092 29 N CA 0.894 53.856 53.050 -0.145 0.000 0.675 29 N CB -1.799 36.638 38.487 -0.084 0.000 0.959 29 N HN 0.272 nan 8.380 nan 0.000 0.558 30 T N -0.445 113.926 114.554 -0.305 0.000 2.788 30 T HA 0.392 4.742 4.350 -0.000 0.000 0.296 30 T C 1.218 175.713 174.700 -0.342 0.000 1.009 30 T CA -0.049 61.883 62.100 -0.279 0.000 0.949 30 T CB 1.105 69.834 68.868 -0.232 0.000 0.946 30 T HN 0.308 nan 8.240 nan 0.000 0.453 31 S N 2.433 118.034 115.700 -0.164 0.000 2.503 31 S HA 0.230 4.700 4.470 -0.000 0.000 0.217 31 S C 0.569 175.170 174.600 0.002 0.000 0.999 31 S CA -0.134 58.025 58.200 -0.069 0.000 0.914 31 S CB 0.094 63.263 63.200 -0.051 0.000 0.782 31 S HN 0.398 nan 8.310 nan 0.000 0.520 32 K N 0.986 121.360 120.400 -0.042 0.000 2.565 32 K HA 0.597 4.916 4.320 -0.000 0.000 0.249 32 K C -2.004 174.567 176.600 -0.047 0.000 0.958 32 K CA -0.485 55.781 56.287 -0.035 0.000 0.806 32 K CB 2.168 34.620 32.500 -0.080 0.000 1.194 32 K HN 0.004 nan 8.250 nan 0.000 0.434 33 V N 5.742 125.657 119.914 0.001 0.000 2.350 33 V HA 0.379 4.499 4.120 -0.000 0.000 0.285 33 V C -1.422 174.770 176.094 0.163 0.000 1.014 33 V CA -0.770 61.543 62.300 0.020 0.000 0.831 33 V CB 0.975 32.746 31.823 -0.087 0.000 1.000 33 V HN 0.737 nan 8.190 nan 0.000 0.433 34 Y N 4.595 124.934 120.300 0.065 0.000 2.328 34 Y HA 0.726 5.276 4.550 -0.000 0.000 0.333 34 Y C 0.045 176.020 175.900 0.124 0.000 0.958 34 Y CA -0.107 58.073 58.100 0.133 0.000 1.167 34 Y CB 1.747 40.343 38.460 0.228 0.000 1.151 34 Y HN 0.574 nan 8.280 nan 0.000 0.470 35 S N 5.186 120.697 115.700 -0.316 0.000 2.677 35 S HA 0.620 5.089 4.470 -0.000 0.000 0.304 35 S C -1.598 172.559 174.600 -0.739 0.000 1.108 35 S CA -0.613 57.259 58.200 -0.547 0.000 0.944 35 S CB 1.403 64.207 63.200 -0.661 0.000 1.127 35 S HN 0.690 nan 8.310 nan 0.000 0.511 36 Y N -0.410 119.378 120.300 -0.853 0.000 2.605 36 Y HA 0.842 5.392 4.550 -0.000 0.000 0.343 36 Y C -1.645 173.848 175.900 -0.679 0.000 1.036 36 Y CA -1.689 56.013 58.100 -0.662 0.000 1.065 36 Y CB 0.848 39.046 38.460 -0.437 0.000 1.288 36 Y HN 0.540 nan 8.280 nan 0.000 0.481 37 F N 2.231 121.787 119.950 -0.656 0.000 2.529 37 F HA 0.630 5.157 4.527 -0.001 0.000 0.320 37 F C -1.015 174.708 175.800 -0.127 0.000 1.118 37 F CA -0.411 57.214 58.000 -0.625 0.000 0.915 37 F CB 1.571 39.757 39.000 -1.357 0.000 1.161 37 F HN 0.809 nan 8.300 nan 0.000 0.445 38 E N 3.175 123.064 120.200 -0.518 0.000 2.430 38 E HA 0.441 4.791 4.350 -0.000 0.000 0.279 38 E C -1.852 174.547 176.600 -0.335 0.000 1.003 38 E CA -1.091 55.200 56.400 -0.181 0.000 0.801 38 E CB 1.413 31.193 29.700 0.133 0.000 1.313 38 E HN 0.483 nan 8.360 nan 0.000 0.459 39 C N 2.710 121.943 119.300 -0.111 0.000 2.203 39 C HA 0.364 4.824 4.460 -0.000 0.000 0.413 39 C C 0.324 175.299 174.990 -0.024 0.000 1.054 39 C CA -0.560 58.420 59.018 -0.063 0.000 1.496 39 C CB -1.755 26.008 27.740 0.038 0.000 1.573 39 C HN 0.482 nan 8.230 nan 0.000 0.498 40 R N 2.034 122.508 120.500 -0.043 0.000 2.457 40 R HA -0.127 4.213 4.340 -0.000 0.000 0.274 40 R C 0.668 176.977 176.300 0.014 0.000 0.935 40 R CA 0.863 56.960 56.100 -0.005 0.000 1.115 40 R CB 0.502 30.796 30.300 -0.011 0.000 0.860 40 R HN 0.739 nan 8.270 nan 0.000 0.426 55 E N 1.821 122.113 120.200 0.154 0.000 2.338 55 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 55 E C 0.482 177.135 176.600 0.088 0.000 1.007 55 E CA 0.930 57.390 56.400 0.100 0.000 0.849 55 E CB 0.369 30.111 29.700 0.070 0.000 0.774 55 E HN 0.603 nan 8.360 nan 0.000 0.506 56 E N -0.073 120.185 120.200 0.095 0.000 2.308 56 E HA 0.270 4.620 4.350 -0.000 0.000 0.275 56 E C -0.839 175.789 176.600 0.047 0.000 0.890 56 E CA -0.807 55.625 56.400 0.054 0.000 0.754 56 E CB 1.648 31.373 29.700 0.041 0.000 1.207 56 E HN -0.071 nan 8.360 nan 0.000 0.426 57 T N -1.079 113.492 114.554 0.029 0.000 2.950 57 T HA 0.549 4.899 4.350 -0.000 0.000 0.288 57 T C -0.058 174.661 174.700 0.032 0.000 1.035 57 T CA -0.809 61.310 62.100 0.032 0.000 1.028 57 T CB 1.484 70.397 68.868 0.074 0.000 1.109 57 T HN 0.287 nan 8.240 nan 0.000 0.514 58 V N 2.405 122.335 119.914 0.028 0.000 2.333 58 V HA 0.346 4.465 4.120 -0.000 0.000 0.274 58 V C -0.439 175.716 176.094 0.101 0.000 1.028 58 V CA -0.861 61.455 62.300 0.026 0.000 0.851 58 V CB 0.166 31.965 31.823 -0.041 0.000 1.000 58 V HN 0.854 nan 8.190 nan 0.000 0.456 59 F N 7.571 127.532 119.950 0.019 0.000 2.439 59 F HA 0.508 5.035 4.527 -0.000 0.000 0.356 59 F C -0.621 175.246 175.800 0.111 0.000 1.161 59 F CA -0.367 57.679 58.000 0.076 0.000 1.151 59 F CB -0.018 39.020 39.000 0.064 0.000 1.222 59 F HN 0.546 nan 8.300 nan 0.000 0.558 60 Y N 4.685 124.639 120.300 -0.577 0.000 2.441 60 Y HA 0.560 5.110 4.550 -0.001 0.000 0.334 60 Y C 0.052 175.677 175.900 -0.459 0.000 1.061 60 Y CA -0.655 57.174 58.100 -0.452 0.000 1.032 60 Y CB 1.920 40.202 38.460 -0.297 0.000 1.266 60 Y HN 0.668 nan 8.280 nan 0.000 0.441 61 G N 3.610 111.828 108.800 -0.971 0.000 2.545 61 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.195 61 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.195 61 G C 0.443 175.099 174.900 -0.407 0.000 1.009 61 G CA 0.122 44.745 45.100 -0.795 0.000 0.703 61 G HN 0.869 nan 8.290 nan 0.000 0.479 62 L N 1.658 122.619 121.223 -0.437 0.000 2.012 62 L HA 0.050 4.390 4.340 -0.000 0.000 0.210 62 L C 2.687 179.460 176.870 -0.161 0.000 1.073 62 L CA 3.404 58.073 54.840 -0.285 0.000 0.748 62 L CB -0.913 41.057 42.059 -0.148 0.000 0.891 62 L HN 0.548 nan 8.230 nan 0.000 0.431 63 Q N -1.899 117.860 119.800 -0.068 0.000 2.133 63 Q HA -0.326 4.014 4.340 -0.000 0.000 0.208 63 Q C 2.282 178.195 176.000 -0.145 0.000 0.991 63 Q CA 2.537 58.281 55.803 -0.098 0.000 0.867 63 Q CB -0.530 28.108 28.738 -0.166 0.000 0.911 63 Q HN 0.703 nan 8.270 nan 0.000 0.417 64 Y N 0.460 120.605 120.300 -0.258 0.000 2.089 64 Y HA -0.231 4.319 4.550 -0.001 0.000 0.282 64 Y C 1.882 177.544 175.900 -0.396 0.000 1.139 64 Y CA 2.022 59.901 58.100 -0.368 0.000 1.123 64 Y CB -0.357 37.878 38.460 -0.375 0.000 0.980 64 Y HN 0.105 nan 8.280 nan 0.000 0.493 65 I N 0.372 120.861 120.570 -0.135 0.000 2.113 65 I HA -0.407 3.763 4.170 -0.000 0.000 0.242 65 I C 2.485 178.429 176.117 -0.287 0.000 1.064 65 I CA 1.842 63.024 61.300 -0.197 0.000 1.320 65 I CB -0.767 37.191 38.000 -0.068 0.000 1.028 65 I HN 0.356 nan 8.210 nan 0.000 0.406 66 L N 0.312 121.360 121.223 -0.292 0.000 1.956 66 L HA -0.296 4.044 4.340 -0.000 0.000 0.216 66 L C 2.508 179.219 176.870 -0.265 0.000 1.073 66 L CA 1.720 56.337 54.840 -0.371 0.000 0.762 66 L CB -0.964 40.894 42.059 -0.334 0.000 0.889 66 L HN 0.372 nan 8.230 nan 0.000 0.433 67 N N 0.159 118.743 118.700 -0.192 0.000 2.061 67 N HA -0.247 4.493 4.740 -0.000 0.000 0.193 67 N C 1.863 177.285 175.510 -0.147 0.000 1.030 67 N CA 1.674 54.666 53.050 -0.095 0.000 0.856 67 N CB -0.117 38.409 38.487 0.065 0.000 1.023 67 N HN 0.333 nan 8.380 nan 0.000 0.424 68 K N -0.772 119.372 120.400 -0.426 0.000 2.305 68 K HA -0.026 4.294 4.320 -0.000 0.000 0.199 68 K C 0.887 177.033 176.600 -0.757 0.000 1.047 68 K CA 0.756 56.621 56.287 -0.702 0.000 0.976 68 K CB 0.250 31.860 32.500 -1.485 0.000 0.765 68 K HN 0.265 nan 8.250 nan 0.000 0.474 69 Y N -1.275 118.835 120.300 -0.317 0.000 2.494 69 Y HA 0.193 4.742 4.550 -0.001 0.000 0.271 69 Y C 1.404 177.322 175.900 0.031 0.000 1.113 69 Y CA -0.492 57.502 58.100 -0.177 0.000 1.240 69 Y CB 0.876 39.172 38.460 -0.274 0.000 1.268 69 Y HN -0.127 nan 8.280 nan 0.000 0.510 70 L N -0.207 121.038 121.223 0.036 0.000 2.672 70 L HA 0.178 4.517 4.340 -0.000 0.000 0.236 70 L C 0.823 177.753 176.870 0.100 0.000 1.092 70 L CA 0.148 54.984 54.840 -0.007 0.000 0.887 70 L CB 0.286 42.134 42.059 -0.351 0.000 1.168 70 L HN -0.065 nan 8.230 nan 0.000 0.502 71 K N 0.813 121.252 120.400 0.065 0.000 2.187 71 K HA 0.313 4.633 4.320 -0.000 0.000 0.247 71 K C 0.975 177.581 176.600 0.010 0.000 1.019 71 K CA 0.753 57.137 56.287 0.162 0.000 0.893 71 K CB 0.470 33.011 32.500 0.069 0.000 1.025 71 K HN 0.084 nan 8.250 nan 0.000 0.500 72 G N 1.473 110.173 108.800 -0.167 0.000 2.574 72 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.295 72 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.295 72 G C -0.650 173.981 174.900 -0.447 0.000 1.300 72 G CA 0.365 45.230 45.100 -0.392 0.000 0.944 72 G HN 0.717 nan 8.290 nan 0.000 0.551 73 K N 0.701 121.076 120.400 -0.041 0.000 2.167 73 K HA 0.362 4.681 4.320 -0.000 0.000 0.275 73 K C 1.597 178.279 176.600 0.137 0.000 1.103 73 K CA 0.316 56.736 56.287 0.222 0.000 0.963 73 K CB 0.112 32.765 32.500 0.255 0.000 1.243 73 K HN 1.003 nan 8.250 nan 0.000 0.407 74 V N 1.603 121.603 119.914 0.143 0.000 3.608 74 V HA 0.145 4.264 4.120 -0.000 0.000 0.269 74 V C 0.239 176.376 176.094 0.071 0.000 1.245 74 V CA -0.079 62.297 62.300 0.126 0.000 1.138 74 V CB 0.438 32.362 31.823 0.168 0.000 0.841 74 V HN 0.207 nan 8.190 nan 0.000 0.451 75 V N 1.996 121.975 119.914 0.108 0.000 2.495 75 V HA 0.757 4.877 4.120 -0.000 0.000 0.298 75 V C 0.025 176.154 176.094 0.057 0.000 1.031 75 V CA 0.450 62.785 62.300 0.059 0.000 0.871 75 V CB 1.630 33.566 31.823 0.189 0.000 0.988 75 V HN 0.670 nan 8.190 nan 0.000 0.432 76 T N 0.059 114.616 114.554 0.006 0.000 2.916 76 T HA 0.400 4.749 4.350 -0.000 0.000 0.305 76 T C 0.647 175.350 174.700 0.005 0.000 1.119 76 T CA -0.662 61.447 62.100 0.015 0.000 1.008 76 T CB 1.962 70.832 68.868 0.004 0.000 1.129 76 T HN 0.714 nan 8.240 nan 0.000 0.480 77 K N 1.024 121.435 120.400 0.019 0.000 2.160 77 K HA -0.218 4.102 4.320 -0.000 0.000 0.206 77 K C 1.261 177.864 176.600 0.005 0.000 1.047 77 K CA 1.834 58.135 56.287 0.022 0.000 0.930 77 K CB -0.289 32.224 32.500 0.022 0.000 0.720 77 K HN 0.608 nan 8.250 nan 0.000 0.450 78 E N 1.369 121.562 120.200 -0.011 0.000 2.072 78 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 78 E C 1.739 178.302 176.600 -0.061 0.000 0.985 78 E CA 1.296 57.679 56.400 -0.028 0.000 0.801 78 E CB 0.055 29.738 29.700 -0.028 0.000 0.750 78 E HN 0.341 nan 8.360 nan 0.000 0.452 79 K N -0.028 120.323 120.400 -0.083 0.000 2.296 79 K HA 0.045 4.365 4.320 -0.000 0.000 0.200 79 K C 1.838 178.335 176.600 -0.171 0.000 1.048 79 K CA 0.587 56.783 56.287 -0.152 0.000 0.966 79 K CB 0.100 32.490 32.500 -0.183 0.000 0.754 79 K HN 0.156 nan 8.250 nan 0.000 0.466 80 I N 0.327 120.851 120.570 -0.075 0.000 2.333 80 I HA -0.205 3.965 4.170 -0.000 0.000 0.246 80 I C 2.504 178.674 176.117 0.089 0.000 1.106 80 I CA 0.798 62.124 61.300 0.044 0.000 1.411 80 I CB -0.121 37.954 38.000 0.124 0.000 1.082 80 I HN 0.081 nan 8.210 nan 0.000 0.420 81 Q N 1.568 121.389 119.800 0.035 0.000 2.084 81 Q HA -0.248 4.091 4.340 -0.000 0.000 0.202 81 Q C 1.977 177.947 176.000 -0.049 0.000 0.978 81 Q CA 1.856 57.678 55.803 0.030 0.000 0.844 81 Q CB -0.219 28.527 28.738 0.013 0.000 0.898 81 Q HN 0.480 nan 8.270 nan 0.000 0.426 82 E N -0.763 119.367 120.200 -0.116 0.000 2.023 82 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 82 E C 1.804 178.217 176.600 -0.312 0.000 1.003 82 E CA 1.191 57.481 56.400 -0.183 0.000 0.809 82 E CB -0.316 29.266 29.700 -0.196 0.000 0.755 82 E HN 0.422 nan 8.360 nan 0.000 0.449 83 A N 1.904 124.446 122.820 -0.463 0.000 1.869 83 A HA -0.320 3.999 4.320 -0.000 0.000 0.218 83 A C 2.156 179.243 177.584 -0.828 0.000 1.203 83 A CA 2.355 53.857 52.037 -0.891 0.000 0.638 83 A CB -0.849 17.537 19.000 -1.023 0.000 0.831 83 A HN 0.351 nan 8.150 nan 0.000 0.450 84 K N -0.167 119.922 120.400 -0.518 0.000 2.052 84 K HA -0.296 4.024 4.320 -0.000 0.000 0.215 84 K C 1.930 178.550 176.600 0.035 0.000 1.053 84 K CA 2.255 58.575 56.287 0.055 0.000 0.934 84 K CB -0.322 32.385 32.500 0.345 0.000 0.717 84 K HN 0.704 nan 8.250 nan 0.000 0.450 85 E N -0.005 120.171 120.200 -0.040 0.000 2.017 85 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 85 E C 2.156 178.732 176.600 -0.040 0.000 0.997 85 E CA 1.655 58.044 56.400 -0.020 0.000 0.804 85 E CB -0.162 29.512 29.700 -0.044 0.000 0.757 85 E HN 0.132 nan 8.360 nan 0.000 0.448 86 V N 0.992 120.808 119.914 -0.163 0.000 2.233 86 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 86 V C 2.126 178.225 176.094 0.009 0.000 1.050 86 V CA 2.014 64.211 62.300 -0.173 0.000 1.010 86 V CB -0.918 30.677 31.823 -0.379 0.000 0.637 86 V HN 0.332 nan 8.190 nan 0.000 0.444 87 Y N 0.094 120.404 120.300 0.017 0.000 2.151 87 Y HA -0.356 4.194 4.550 -0.000 0.000 0.284 87 Y C 2.854 178.949 175.900 0.326 0.000 1.166 87 Y CA 1.703 59.944 58.100 0.235 0.000 1.163 87 Y CB -0.280 38.226 38.460 0.076 0.000 0.974 87 Y HN 0.162 nan 8.280 nan 0.000 0.511 88 R N 1.166 121.875 120.500 0.348 0.000 2.096 88 R HA -0.240 4.100 4.340 -0.000 0.000 0.240 88 R C 1.867 178.316 176.300 0.248 0.000 1.139 88 R CA 2.193 58.458 56.100 0.274 0.000 0.952 88 R CB -0.498 29.913 30.300 0.186 0.000 0.854 88 R HN 0.288 nan 8.270 nan 0.000 0.436 89 E N -1.041 119.280 120.200 0.200 0.000 2.230 89 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 89 E C 1.735 178.456 176.600 0.201 0.000 0.987 89 E CA 1.203 57.696 56.400 0.155 0.000 0.841 89 E CB -0.299 29.455 29.700 0.088 0.000 0.783 89 E HN 0.648 nan 8.360 nan 0.000 0.481 90 H N -1.355 117.792 119.070 0.128 0.000 2.270 90 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 90 H C 0.827 176.118 175.328 -0.061 0.000 1.077 90 H CA 1.595 57.654 56.048 0.019 0.000 1.294 90 H CB -0.030 29.772 29.762 0.068 0.000 1.371 90 H HN 0.251 nan 8.280 nan 0.000 0.491 91 F N 0.921 120.918 119.950 0.079 0.000 2.797 91 F HA 0.078 4.604 4.527 -0.000 0.000 0.302 91 F C 0.752 176.569 175.800 0.028 0.000 1.130 91 F CA 0.277 58.264 58.000 -0.022 0.000 1.387 91 F CB 0.017 39.014 39.000 -0.005 0.000 1.107 91 F HN 0.203 nan 8.300 nan 0.000 0.577 92 Q N 1.256 121.183 119.800 0.212 0.000 2.435 92 Q HA -0.246 4.093 4.340 -0.000 0.000 0.312 92 Q C -0.984 175.105 176.000 0.149 0.000 1.333 92 Q CA 0.948 56.838 55.803 0.146 0.000 0.883 92 Q CB -1.264 27.528 28.738 0.090 0.000 1.170 92 Q HN 0.425 nan 8.270 nan 0.000 0.443 93 D N -1.294 119.217 120.400 0.185 0.000 2.972 93 D HA 0.076 4.716 4.640 -0.000 0.000 0.294 93 D C -1.593 174.807 176.300 0.167 0.000 1.211 93 D CA -0.596 53.491 54.000 0.145 0.000 0.732 93 D CB 0.783 41.653 40.800 0.117 0.000 1.257 93 D HN -0.030 nan 8.370 nan 0.000 0.435 94 D N 1.120 121.598 120.400 0.130 0.000 2.514 94 D HA 0.290 4.930 4.640 -0.000 0.000 0.267 94 D C 0.933 177.299 176.300 0.110 0.000 1.165 94 D CA -0.076 54.019 54.000 0.158 0.000 0.958 94 D CB 0.980 41.876 40.800 0.160 0.000 0.992 94 D HN -0.001 nan 8.370 nan 0.000 0.506 95 V N 1.926 121.858 119.914 0.031 0.000 3.406 95 V HA 0.006 4.126 4.120 -0.000 0.000 0.263 95 V C 1.077 177.243 176.094 0.121 0.000 1.172 95 V CA -0.086 62.201 62.300 -0.021 0.000 1.140 95 V CB -0.763 30.895 31.823 -0.275 0.000 0.784 95 V HN 0.351 nan 8.190 nan 0.000 0.467 96 F N 3.352 123.290 119.950 -0.020 0.000 2.602 96 F HA 0.125 4.651 4.527 -0.000 0.000 0.385 96 F C 0.611 176.423 175.800 0.020 0.000 1.063 96 F CA -0.924 57.114 58.000 0.063 0.000 1.233 96 F CB -0.139 38.997 39.000 0.226 0.000 1.067 96 F HN 0.175 nan 8.300 nan 0.000 0.564 97 N N 5.028 123.355 118.700 -0.621 0.000 2.663 97 N HA 0.037 4.777 4.740 -0.000 0.000 0.250 97 N C 0.810 175.670 175.510 -1.083 0.000 1.129 97 N CA 0.155 52.580 53.050 -1.042 0.000 0.995 97 N CB 0.036 37.461 38.487 -1.770 0.000 1.324 97 N HN 0.818 nan 8.380 nan 0.000 0.512 98 E N 2.655 122.210 120.200 -1.074 0.000 2.299 98 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 98 E C 1.436 177.879 176.600 -0.261 0.000 0.998 98 E CA 0.257 56.253 56.400 -0.674 0.000 0.851 98 E CB 0.142 29.575 29.700 -0.446 0.000 0.795 98 E HN 0.449 nan 8.360 nan 0.000 0.492 99 R N 0.327 120.651 120.500 -0.294 0.000 2.073 99 R HA -0.055 4.285 4.340 -0.000 0.000 0.234 99 R C 2.406 178.644 176.300 -0.104 0.000 1.134 99 R CA 1.941 57.948 56.100 -0.155 0.000 0.952 99 R CB -0.604 29.597 30.300 -0.164 0.000 0.850 99 R HN 0.321 nan 8.270 nan 0.000 0.433 100 G N -1.639 106.985 108.800 -0.293 0.000 2.421 100 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 100 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 100 G C 1.027 175.927 174.900 0.001 0.000 1.143 100 G CA 0.215 45.179 45.100 -0.228 0.000 0.784 100 G HN 0.381 nan 8.290 nan 0.000 0.541 101 W N 0.563 121.771 121.300 -0.152 0.000 2.409 101 W HA 0.067 4.727 4.660 -0.000 0.000 0.299 101 W C 2.575 179.140 176.519 0.077 0.000 1.203 101 W CA 0.460 57.822 57.345 0.028 0.000 1.298 101 W CB 0.131 29.555 29.460 -0.060 0.000 1.127 101 W HN 0.116 nan 8.180 nan 0.000 0.528 102 N N -0.243 118.619 118.700 0.270 0.000 2.223 102 N HA -0.258 4.482 4.740 -0.000 0.000 0.185 102 N C 1.587 177.203 175.510 0.177 0.000 1.016 102 N CA 1.383 54.542 53.050 0.181 0.000 0.863 102 N CB -0.462 38.083 38.487 0.096 0.000 0.983 102 N HN 0.216 nan 8.380 nan 0.000 0.429 103 Y N 1.813 122.170 120.300 0.095 0.000 2.097 103 Y HA -0.154 4.396 4.550 -0.000 0.000 0.282 103 Y C 2.311 178.290 175.900 0.132 0.000 1.152 103 Y CA 1.614 59.767 58.100 0.089 0.000 1.136 103 Y CB -0.518 38.000 38.460 0.096 0.000 0.975 103 Y HN 0.010 nan 8.280 nan 0.000 0.498 104 I N -0.508 120.189 120.570 0.211 0.000 2.286 104 I HA -0.276 3.893 4.170 -0.000 0.000 0.248 104 I C 2.300 178.505 176.117 0.147 0.000 1.115 104 I CA 1.116 62.541 61.300 0.207 0.000 1.392 104 I CB -0.449 37.725 38.000 0.290 0.000 1.065 104 I HN 0.334 nan 8.210 nan 0.000 0.418 105 L N 0.877 122.193 121.223 0.156 0.000 2.079 105 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 105 L C 2.240 179.114 176.870 0.006 0.000 1.081 105 L CA 1.910 56.815 54.840 0.109 0.000 0.752 105 L CB -0.577 41.550 42.059 0.113 0.000 0.896 105 L HN 0.237 nan 8.230 nan 0.000 0.433 106 E N -1.026 119.130 120.200 -0.072 0.000 2.022 106 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 106 E C 2.087 178.524 176.600 -0.271 0.000 0.973 106 E CA 0.428 56.739 56.400 -0.149 0.000 0.816 106 E CB -0.235 29.373 29.700 -0.153 0.000 0.781 106 E HN 0.186 nan 8.360 nan 0.000 0.456 107 K N 0.586 120.688 120.400 -0.496 0.000 2.044 107 K HA -0.143 4.177 4.320 -0.000 0.000 0.210 107 K C 0.617 176.739 176.600 -0.798 0.000 1.049 107 K CA 1.459 57.276 56.287 -0.784 0.000 0.927 107 K CB -0.129 31.600 32.500 -1.284 0.000 0.713 107 K HN 0.237 nan 8.250 nan 0.000 0.443 108 Y N 0.607 120.803 120.300 -0.174 0.000 2.516 108 Y HA 0.171 4.720 4.550 -0.001 0.000 0.341 108 Y C -0.456 175.368 175.900 -0.127 0.000 0.912 108 Y CA -1.523 56.504 58.100 -0.123 0.000 1.167 108 Y CB -0.006 38.420 38.460 -0.057 0.000 1.195 108 Y HN 0.047 nan 8.280 nan 0.000 0.610 109 D N 2.038 122.401 120.400 -0.061 0.000 2.956 109 D HA -0.206 4.434 4.640 -0.000 0.000 0.206 109 D C 1.490 177.825 176.300 0.058 0.000 1.269 109 D CA 1.862 55.821 54.000 -0.068 0.000 0.694 109 D CB -0.737 39.955 40.800 -0.179 0.000 0.910 109 D HN 0.916 nan 8.370 nan 0.000 0.389 110 G N 1.509 110.401 108.800 0.154 0.000 2.200 110 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.267 110 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.267 110 G C 0.279 175.399 174.900 0.366 0.000 0.993 110 G CA 0.680 45.928 45.100 0.246 0.000 0.701 110 G HN 0.763 nan 8.290 nan 0.000 0.524 111 H N -0.651 118.497 119.070 0.130 0.000 2.562 111 H HA 0.405 4.960 4.556 -0.001 0.000 0.314 111 H C 0.767 176.122 175.328 0.046 0.000 1.079 111 H CA -1.077 55.026 56.048 0.091 0.000 1.349 111 H CB 0.992 30.782 29.762 0.046 0.000 1.432 111 H HN 0.098 nan 8.280 nan 0.000 0.479 112 L N 6.314 127.625 121.223 0.146 0.000 2.534 112 L HA 0.032 4.371 4.340 -0.000 0.000 0.271 112 L C -1.645 175.145 176.870 -0.134 0.000 1.178 112 L CA -1.450 53.424 54.840 0.057 0.000 0.907 112 L CB 0.343 42.524 42.059 0.202 0.000 1.164 112 L HN 0.473 nan 8.230 nan 0.000 0.482 113 P HA 0.151 nan 4.420 nan 0.000 0.220 113 P C -0.766 176.378 177.300 -0.261 0.000 1.806 113 P CA 0.129 62.950 63.100 -0.464 0.000 0.976 113 P CB -0.467 30.837 31.700 -0.660 0.000 1.952 114 I N -3.012 117.469 120.570 -0.149 0.000 2.894 114 I HA 0.651 4.821 4.170 -0.000 0.000 0.302 114 I C -1.059 175.081 176.117 0.039 0.000 1.188 114 I CA -1.559 59.734 61.300 -0.010 0.000 1.014 114 I CB 3.124 41.191 38.000 0.112 0.000 1.242 114 I HN -0.176 nan 8.210 nan 0.000 0.430 115 E N 3.428 123.697 120.200 0.114 0.000 2.210 115 E HA 0.696 5.046 4.350 -0.000 0.000 0.266 115 E C -1.870 174.882 176.600 0.253 0.000 0.883 115 E CA -0.846 55.641 56.400 0.146 0.000 0.761 115 E CB 2.434 32.193 29.700 0.098 0.000 1.156 115 E HN 0.606 nan 8.360 nan 0.000 0.412 116 V N 4.844 124.936 119.914 0.296 0.000 2.443 116 V HA 0.354 4.474 4.120 -0.000 0.000 0.293 116 V C -0.506 175.744 176.094 0.259 0.000 1.021 116 V CA -0.884 61.593 62.300 0.295 0.000 0.848 116 V CB 1.504 33.474 31.823 0.244 0.000 0.998 116 V HN 0.627 nan 8.190 nan 0.000 0.424 117 K N 3.197 123.757 120.400 0.266 0.000 2.138 117 K HA 0.927 5.247 4.320 -0.000 0.000 0.263 117 K C -0.235 176.506 176.600 0.236 0.000 0.965 117 K CA -0.388 56.036 56.287 0.228 0.000 0.868 117 K CB 2.388 35.005 32.500 0.195 0.000 1.083 117 K HN 0.831 nan 8.250 nan 0.000 0.443 118 A N 1.004 123.939 122.820 0.191 0.000 2.588 118 A HA 0.565 4.885 4.320 -0.000 0.000 0.290 118 A C -1.037 176.559 177.584 0.020 0.000 1.136 118 A CA -0.839 51.239 52.037 0.069 0.000 0.681 118 A CB 0.823 19.877 19.000 0.090 0.000 1.282 118 A HN 0.420 nan 8.150 nan 0.000 0.421 119 V N -0.904 118.846 119.914 -0.273 0.000 2.686 119 V HA 0.592 4.711 4.120 -0.000 0.000 0.295 119 V C -2.431 173.613 176.094 -0.084 0.000 1.057 119 V CA -2.169 60.047 62.300 -0.141 0.000 1.012 119 V CB 0.652 32.320 31.823 -0.258 0.000 1.006 119 V HN 0.728 nan 8.190 nan 0.000 0.477 120 P HA -0.001 nan 4.420 nan 0.000 0.260 120 P C -0.014 177.029 177.300 -0.428 0.000 1.172 120 P CA 0.352 63.065 63.100 -0.646 0.000 0.760 120 P CB 0.297 31.677 31.700 -0.534 0.000 0.773 121 E N 2.230 122.135 120.200 -0.492 0.000 2.608 121 E HA 0.027 4.376 4.350 -0.000 0.000 0.259 121 E C 1.547 178.088 176.600 -0.099 0.000 0.951 121 E CA 1.601 57.995 56.400 -0.009 0.000 0.945 121 E CB -0.202 29.611 29.700 0.188 0.000 0.916 121 E HN 0.829 nan 8.360 nan 0.000 0.477 122 G N 2.812 111.609 108.800 -0.005 0.000 2.234 122 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.235 122 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.235 122 G C 0.372 175.233 174.900 -0.065 0.000 0.997 122 G CA 0.150 45.184 45.100 -0.110 0.000 0.623 122 G HN 0.463 nan 8.290 nan 0.000 0.514 123 S N 0.547 116.237 115.700 -0.017 0.000 2.596 123 S HA 0.312 4.782 4.470 -0.000 0.000 0.298 123 S C 0.846 175.419 174.600 -0.045 0.000 1.255 123 S CA 0.247 58.427 58.200 -0.033 0.000 1.083 123 S CB 1.500 64.674 63.200 -0.044 0.000 0.837 123 S HN 0.766 nan 8.310 nan 0.000 0.499 124 V N 6.169 126.039 119.914 -0.072 0.000 2.153 124 V HA 0.116 4.236 4.120 -0.000 0.000 0.250 124 V C 0.213 176.198 176.094 -0.181 0.000 1.334 124 V CA -0.225 62.032 62.300 -0.073 0.000 1.249 124 V CB -0.904 30.901 31.823 -0.030 0.000 1.371 124 V HN 0.650 nan 8.190 nan 0.000 0.498 125 I N 6.950 127.378 120.570 -0.237 0.000 2.428 125 I HA 0.346 4.516 4.170 -0.000 0.000 0.289 125 I C -1.239 174.757 176.117 -0.202 0.000 1.019 125 I CA -2.499 58.536 61.300 -0.442 0.000 1.351 125 I CB 1.256 39.028 38.000 -0.382 0.000 1.412 125 I HN 0.281 nan 8.210 nan 0.000 0.513 126 P HA 0.007 nan 4.420 nan 0.000 0.302 126 P C -0.247 177.053 177.300 -0.001 0.000 1.301 126 P CA -0.255 62.835 63.100 -0.016 0.000 0.770 126 P CB 0.573 32.307 31.700 0.058 0.000 1.458 127 R N -1.991 118.527 120.500 0.031 0.000 2.604 127 R HA 0.531 4.871 4.340 -0.000 0.000 0.287 127 R C 0.682 176.996 176.300 0.024 0.000 0.970 127 R CA 0.490 56.611 56.100 0.035 0.000 0.946 127 R CB 0.127 30.459 30.300 0.053 0.000 1.127 127 R HN 0.798 nan 8.270 nan 0.000 0.473 128 G N 1.949 110.758 108.800 0.014 0.000 2.132 128 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.234 128 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.234 128 G C -0.563 174.326 174.900 -0.019 0.000 0.989 128 G CA -0.161 44.940 45.100 0.002 0.000 0.676 128 G HN 0.561 nan 8.290 nan 0.000 0.522 129 N N -0.782 117.907 118.700 -0.018 0.000 2.335 129 N HA 0.469 5.208 4.740 -0.000 0.000 0.304 129 N C -0.173 175.311 175.510 -0.042 0.000 1.135 129 N CA -0.438 52.590 53.050 -0.038 0.000 0.817 129 N CB 2.424 40.893 38.487 -0.030 0.000 1.294 129 N HN 0.172 nan 8.380 nan 0.000 0.497 130 V N 3.483 123.350 119.914 -0.078 0.000 2.415 130 V HA 0.088 4.207 4.120 -0.000 0.000 0.267 130 V C 1.207 177.280 176.094 -0.036 0.000 1.042 130 V CA 0.242 62.506 62.300 -0.061 0.000 1.000 130 V CB -0.696 31.052 31.823 -0.125 0.000 1.015 130 V HN 0.556 nan 8.190 nan 0.000 0.478 131 L N 6.612 127.844 121.223 0.015 0.000 2.071 131 L HA 0.236 4.576 4.340 -0.000 0.000 0.201 131 L C 0.658 177.434 176.870 -0.157 0.000 1.076 131 L CA 0.977 55.766 54.840 -0.086 0.000 0.755 131 L CB -0.275 41.911 42.059 0.211 0.000 0.915 131 L HN 0.740 nan 8.230 nan 0.000 0.445 132 F N -0.779 119.186 119.950 0.025 0.000 2.629 132 F HA 0.673 5.200 4.527 -0.000 0.000 0.316 132 F C -0.509 175.378 175.800 0.145 0.000 1.081 132 F CA -1.059 56.962 58.000 0.035 0.000 0.954 132 F CB 1.295 40.353 39.000 0.096 0.000 1.337 132 F HN -0.123 nan 8.300 nan 0.000 0.474 133 T N -0.282 114.561 114.554 0.482 0.000 2.883 133 T HA 0.847 5.197 4.350 -0.000 0.000 0.296 133 T C -1.803 173.145 174.700 0.414 0.000 1.117 133 T CA -0.770 61.472 62.100 0.236 0.000 1.006 133 T CB 1.537 70.459 68.868 0.091 0.000 1.191 133 T HN 0.893 nan 8.240 nan 0.000 0.508 134 V N 1.485 121.537 119.914 0.230 0.000 2.971 134 V HA 0.824 4.943 4.120 -0.000 0.000 0.309 134 V C -1.206 175.045 176.094 0.262 0.000 1.130 134 V CA -0.797 61.697 62.300 0.323 0.000 0.964 134 V CB 1.968 34.079 31.823 0.480 0.000 1.029 134 V HN 1.243 nan 8.190 nan 0.000 0.427 135 E N 2.418 122.792 120.200 0.290 0.000 2.380 135 E HA 0.349 4.699 4.350 -0.000 0.000 0.281 135 E C -1.733 174.953 176.600 0.144 0.000 0.999 135 E CA -0.988 55.578 56.400 0.277 0.000 0.800 135 E CB 1.653 31.610 29.700 0.429 0.000 1.228 135 E HN 0.619 nan 8.360 nan 0.000 0.436 136 N N 1.419 120.154 118.700 0.058 0.000 2.488 136 N HA 0.023 4.763 4.740 -0.000 0.000 0.274 136 N C 0.660 176.155 175.510 -0.026 0.000 1.111 136 N CA 0.154 53.174 53.050 -0.049 0.000 0.974 136 N CB 1.420 39.819 38.487 -0.145 0.000 1.089 136 N HN 0.695 nan 8.380 nan 0.000 0.465 137 T N -2.811 111.703 114.554 -0.067 0.000 3.088 137 T HA -0.057 4.292 4.350 -0.000 0.000 0.259 137 T C 0.141 174.819 174.700 -0.036 0.000 1.122 137 T CA 0.349 62.417 62.100 -0.053 0.000 1.095 137 T CB -0.024 68.784 68.868 -0.101 0.000 0.930 137 T HN 0.553 nan 8.240 nan 0.000 0.508 138 D N 1.834 122.204 120.400 -0.049 0.000 2.391 138 D HA 0.297 4.937 4.640 -0.000 0.000 0.245 138 D C -1.819 174.507 176.300 0.044 0.000 1.069 138 D CA -2.710 51.320 54.000 0.050 0.000 0.831 138 D CB 2.516 43.406 40.800 0.149 0.000 1.204 138 D HN -0.114 nan 8.370 nan 0.000 0.503 139 P HA -0.137 nan 4.420 nan 0.000 0.223 139 P C 0.779 178.153 177.300 0.124 0.000 1.144 139 P CA 0.741 63.879 63.100 0.064 0.000 0.783 139 P CB 0.695 32.417 31.700 0.036 0.000 0.771 140 E N -0.501 119.751 120.200 0.087 0.000 2.158 140 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 140 E C 1.209 177.906 176.600 0.162 0.000 0.982 140 E CA 0.700 57.133 56.400 0.055 0.000 0.823 140 E CB -0.498 28.991 29.700 -0.351 0.000 0.766 140 E HN 0.292 nan 8.360 nan 0.000 0.468 141 C N 2.012 121.276 119.300 -0.061 0.000 2.435 141 C HA 0.127 4.587 4.460 -0.000 0.000 0.326 141 C C 1.859 176.337 174.990 -0.853 0.000 1.328 141 C CA -0.968 57.677 59.018 -0.623 0.000 1.741 141 C CB -2.443 24.957 27.740 -0.567 0.000 1.998 141 C HN 0.456 nan 8.230 nan 0.000 0.585 142 Y N 0.405 120.516 120.300 -0.315 0.000 2.241 142 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 142 Y C 2.234 177.947 175.900 -0.311 0.000 1.166 142 Y CA 1.793 59.739 58.100 -0.257 0.000 1.203 142 Y CB -1.022 37.341 38.460 -0.161 0.000 0.977 142 Y HN 0.607 nan 8.280 nan 0.000 0.529 143 W N 0.921 121.492 121.300 -1.216 0.000 2.436 143 W HA -0.053 4.607 4.660 -0.001 0.000 0.284 143 W C 1.893 178.321 176.519 -0.151 0.000 1.225 143 W CA 0.413 57.416 57.345 -0.570 0.000 1.271 143 W CB -1.323 27.817 29.460 -0.533 0.000 1.114 143 W HN 0.244 nan 8.180 nan 0.000 0.559 144 L N 1.666 122.066 121.223 -1.371 0.000 2.013 144 L HA -0.248 4.091 4.340 -0.000 0.000 0.212 144 L C 2.599 179.335 176.870 -0.223 0.000 1.073 144 L CA 2.664 56.876 54.840 -1.046 0.000 0.753 144 L CB -0.875 40.377 42.059 -1.344 0.000 0.890 144 L HN -0.027 nan 8.230 nan 0.000 0.432 145 T N 0.135 114.599 114.554 -0.151 0.000 2.564 145 T HA -0.294 4.056 4.350 -0.000 0.000 0.264 145 T C 1.505 176.377 174.700 0.288 0.000 1.100 145 T CA 2.388 64.552 62.100 0.107 0.000 1.171 145 T CB -0.432 68.509 68.868 0.121 0.000 0.863 145 T HN 0.406 nan 8.240 nan 0.000 0.430 146 N N -0.027 118.870 118.700 0.328 0.000 2.216 146 N HA -0.043 4.697 4.740 -0.000 0.000 0.183 146 N C 1.395 177.076 175.510 0.285 0.000 1.017 146 N CA 0.706 53.977 53.050 0.369 0.000 0.861 146 N CB -0.353 38.403 38.487 0.447 0.000 0.986 146 N HN 0.469 nan 8.380 nan 0.000 0.428 147 W N 2.695 124.097 121.300 0.170 0.000 2.262 147 W HA -0.246 4.413 4.660 -0.001 0.000 0.331 147 W C 1.165 177.758 176.519 0.123 0.000 1.315 147 W CA 1.564 59.023 57.345 0.190 0.000 1.302 147 W CB -0.672 28.966 29.460 0.297 0.000 1.128 147 W HN 0.133 nan 8.180 nan 0.000 0.482 148 I N -0.558 120.307 120.570 0.491 0.000 3.686 148 I HA 0.032 4.202 4.170 -0.000 0.000 0.308 148 I C 1.851 177.973 176.117 0.008 0.000 1.254 148 I CA 0.991 62.472 61.300 0.303 0.000 1.175 148 I CB -0.704 37.456 38.000 0.266 0.000 1.009 148 I HN 0.064 nan 8.210 nan 0.000 0.459 149 E N 2.059 122.148 120.200 -0.184 0.000 2.047 149 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 149 E C 1.767 178.167 176.600 -0.334 0.000 0.987 149 E CA 2.233 58.186 56.400 -0.745 0.000 0.799 149 E CB 0.030 29.274 29.700 -0.759 0.000 0.752 149 E HN 0.641 nan 8.360 nan 0.000 0.449 150 T N 1.571 116.050 114.554 -0.124 0.000 2.622 150 T HA -0.211 4.139 4.350 -0.000 0.000 0.266 150 T C 1.950 176.662 174.700 0.019 0.000 1.047 150 T CA 1.332 63.422 62.100 -0.017 0.000 1.159 150 T CB -0.458 68.408 68.868 -0.004 0.000 0.863 150 T HN 0.123 nan 8.240 nan 0.000 0.422 151 I N 1.470 122.059 120.570 0.032 0.000 2.087 151 I HA -0.161 4.009 4.170 -0.000 0.000 0.240 151 I C 2.245 178.374 176.117 0.020 0.000 1.054 151 I CA 1.339 62.663 61.300 0.039 0.000 1.311 151 I CB -0.547 37.508 38.000 0.091 0.000 1.024 151 I HN 0.226 nan 8.210 nan 0.000 0.402 152 L N -1.130 120.094 121.223 0.002 0.000 2.017 152 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 152 L C 2.542 179.458 176.870 0.076 0.000 1.073 152 L CA 1.071 55.909 54.840 -0.004 0.000 0.745 152 L CB -0.968 41.157 42.059 0.110 0.000 0.894 152 L HN 0.090 nan 8.230 nan 0.000 0.432 153 V N 0.005 120.017 119.914 0.163 0.000 2.380 153 V HA -0.326 3.793 4.120 -0.000 0.000 0.251 153 V C 2.400 178.748 176.094 0.423 0.000 1.063 153 V CA 1.704 64.223 62.300 0.365 0.000 1.055 153 V CB -0.681 31.341 31.823 0.332 0.000 0.657 153 V HN 0.562 nan 8.190 nan 0.000 0.455 154 Q N 0.250 120.209 119.800 0.264 0.000 2.576 154 Q HA -0.174 4.166 4.340 -0.000 0.000 0.218 154 Q C 2.220 178.139 176.000 -0.135 0.000 0.983 154 Q CA 1.417 57.333 55.803 0.188 0.000 0.920 154 Q CB -0.388 28.395 28.738 0.076 0.000 0.973 154 Q HN 0.858 nan 8.270 nan 0.000 0.528 155 S N 0.342 116.003 115.700 -0.065 0.000 2.481 155 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 155 S C 1.631 176.137 174.600 -0.157 0.000 0.996 155 S CA 0.200 58.273 58.200 -0.211 0.000 0.942 155 S CB -0.726 62.304 63.200 -0.282 0.000 0.768 155 S HN 0.690 nan 8.310 nan 0.000 0.520 156 W N 0.922 122.337 121.300 0.192 0.000 2.308 156 W HA -0.278 4.382 4.660 -0.001 0.000 0.301 156 W C 1.781 178.398 176.519 0.164 0.000 1.220 156 W CA 0.942 58.455 57.345 0.280 0.000 1.240 156 W CB -1.302 28.338 29.460 0.300 0.000 1.142 156 W HN 0.375 nan 8.180 nan 0.000 0.521 157 Y N 4.292 123.674 120.300 -1.531 0.000 2.060 157 Y HA -0.150 4.399 4.550 -0.001 0.000 0.276 157 Y C 0.036 175.582 175.900 -0.590 0.000 1.127 157 Y CA 2.523 59.729 58.100 -1.489 0.000 1.104 157 Y CB -1.999 35.505 38.460 -1.594 0.000 0.983 157 Y HN -0.254 nan 8.280 nan 0.000 0.483 158 P HA -0.220 nan 4.420 nan 0.000 0.218 158 P C 1.764 178.922 177.300 -0.236 0.000 1.146 158 P CA 2.077 64.920 63.100 -0.430 0.000 0.813 158 P CB -0.196 31.220 31.700 -0.474 0.000 0.778 159 I N -0.405 120.042 120.570 -0.205 0.000 2.233 159 I HA -0.160 4.009 4.170 -0.000 0.000 0.243 159 I C 2.301 178.374 176.117 -0.073 0.000 1.093 159 I CA 1.668 62.926 61.300 -0.071 0.000 1.380 159 I CB -0.989 37.050 38.000 0.065 0.000 1.067 159 I HN -0.008 nan 8.210 nan 0.000 0.413 160 T N 0.457 114.963 114.554 -0.081 0.000 2.777 160 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 160 T C 1.954 176.532 174.700 -0.203 0.000 1.040 160 T CA 1.135 63.182 62.100 -0.088 0.000 1.141 160 T CB -0.275 68.661 68.868 0.112 0.000 0.868 160 T HN 0.100 nan 8.240 nan 0.000 0.444 161 V N 1.597 121.308 119.914 -0.339 0.000 2.515 161 V HA -0.060 4.060 4.120 -0.000 0.000 0.250 161 V C 2.826 178.795 176.094 -0.209 0.000 1.058 161 V CA 1.441 63.535 62.300 -0.344 0.000 1.064 161 V CB -1.084 30.396 31.823 -0.572 0.000 0.675 161 V HN 0.515 nan 8.190 nan 0.000 0.461 162 A N -0.492 122.230 122.820 -0.164 0.000 1.968 162 A HA -0.126 4.193 4.320 -0.000 0.000 0.217 162 A C 2.373 179.897 177.584 -0.100 0.000 1.169 162 A CA 2.073 54.037 52.037 -0.121 0.000 0.638 162 A CB -0.586 18.347 19.000 -0.111 0.000 0.812 162 A HN 0.476 nan 8.150 nan 0.000 0.446 163 T N -0.120 114.365 114.554 -0.116 0.000 2.770 163 T HA -0.087 4.262 4.350 -0.000 0.000 0.258 163 T C 2.045 176.664 174.700 -0.136 0.000 1.039 163 T CA 1.056 63.083 62.100 -0.122 0.000 1.143 163 T CB -0.330 68.438 68.868 -0.166 0.000 0.866 163 T HN 0.530 nan 8.240 nan 0.000 0.428 164 N N 0.872 119.452 118.700 -0.200 0.000 2.084 164 N HA -0.097 4.643 4.740 -0.000 0.000 0.190 164 N C 2.161 177.654 175.510 -0.028 0.000 1.030 164 N CA 1.291 54.263 53.050 -0.131 0.000 0.849 164 N CB -0.278 38.128 38.487 -0.135 0.000 1.012 164 N HN 0.197 nan 8.380 nan 0.000 0.423 165 S N 0.617 116.285 115.700 -0.053 0.000 2.370 165 S HA -0.119 4.350 4.470 -0.000 0.000 0.226 165 S C 2.006 176.722 174.600 0.194 0.000 1.033 165 S CA 1.074 59.279 58.200 0.008 0.000 1.011 165 S CB -0.117 63.106 63.200 0.038 0.000 0.852 165 S HN 0.380 nan 8.310 nan 0.000 0.457 166 R N 0.582 121.155 120.500 0.123 0.000 2.081 166 R HA -0.065 4.274 4.340 -0.000 0.000 0.235 166 R C 2.203 178.566 176.300 0.107 0.000 1.131 166 R CA 1.586 57.747 56.100 0.102 0.000 0.960 166 R CB -0.207 30.099 30.300 0.010 0.000 0.856 166 R HN 0.323 nan 8.270 nan 0.000 0.436 167 E N 0.838 121.100 120.200 0.103 0.000 2.058 167 E HA -0.247 4.102 4.350 -0.000 0.000 0.194 167 E C 2.031 178.696 176.600 0.109 0.000 0.997 167 E CA 1.524 58.000 56.400 0.127 0.000 0.801 167 E CB -0.248 29.587 29.700 0.226 0.000 0.746 167 E HN 0.544 nan 8.360 nan 0.000 0.450 168 Q N 0.424 120.285 119.800 0.102 0.000 2.181 168 Q HA -0.154 4.186 4.340 -0.000 0.000 0.205 168 Q C 2.203 178.298 176.000 0.160 0.000 0.980 168 Q CA 1.195 57.033 55.803 0.059 0.000 0.862 168 Q CB -0.153 28.567 28.738 -0.030 0.000 0.905 168 Q HN 0.148 nan 8.270 nan 0.000 0.429 169 K N 1.293 121.872 120.400 0.298 0.000 2.057 169 K HA -0.179 4.140 4.320 -0.000 0.000 0.207 169 K C 1.829 178.497 176.600 0.113 0.000 1.049 169 K CA 1.219 57.690 56.287 0.306 0.000 0.931 169 K CB 0.135 32.642 32.500 0.012 0.000 0.714 169 K HN 0.038 nan 8.250 nan 0.000 0.440 170 K N 0.357 120.805 120.400 0.081 0.000 2.009 170 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 170 K C 2.079 178.731 176.600 0.086 0.000 1.049 170 K CA 1.909 58.233 56.287 0.061 0.000 0.929 170 K CB -0.272 32.263 32.500 0.058 0.000 0.714 170 K HN 0.103 nan 8.250 nan 0.000 0.440 171 I N 1.290 121.909 120.570 0.082 0.000 2.264 171 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 171 I C 2.158 178.341 176.117 0.111 0.000 1.111 171 I CA 1.313 62.667 61.300 0.090 0.000 1.382 171 I CB -0.310 37.675 38.000 -0.025 0.000 1.060 171 I HN 0.099 nan 8.210 nan 0.000 0.418 172 L N 0.040 121.310 121.223 0.077 0.000 1.988 172 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 172 L C 2.837 179.786 176.870 0.132 0.000 1.071 172 L CA 1.441 56.343 54.840 0.104 0.000 0.744 172 L CB -0.848 41.311 42.059 0.166 0.000 0.893 172 L HN 0.246 nan 8.230 nan 0.000 0.433 173 A N 0.101 122.979 122.820 0.097 0.000 1.873 173 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 173 A C 2.278 179.905 177.584 0.071 0.000 1.193 173 A CA 2.317 54.391 52.037 0.060 0.000 0.629 173 A CB -0.571 18.439 19.000 0.016 0.000 0.826 173 A HN 0.244 nan 8.150 nan 0.000 0.447 174 K N -1.028 119.428 120.400 0.094 0.000 2.034 174 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 174 K C 1.642 178.251 176.600 0.015 0.000 1.051 174 K CA 2.256 58.575 56.287 0.054 0.000 0.931 174 K CB -0.648 31.905 32.500 0.088 0.000 0.715 174 K HN 0.574 nan 8.250 nan 0.000 0.446 175 Y N -0.185 120.100 120.300 -0.025 0.000 2.420 175 Y HA 0.072 4.622 4.550 -0.000 0.000 0.292 175 Y C 1.983 177.839 175.900 -0.074 0.000 1.119 175 Y CA 0.572 58.641 58.100 -0.053 0.000 1.229 175 Y CB -0.144 38.291 38.460 -0.041 0.000 1.026 175 Y HN 0.043 nan 8.280 nan 0.000 0.554 176 L N -0.917 120.379 121.223 0.122 0.000 2.056 176 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 176 L C 2.206 179.082 176.870 0.010 0.000 1.078 176 L CA 0.998 55.875 54.840 0.061 0.000 0.749 176 L CB -0.285 41.822 42.059 0.079 0.000 0.901 176 L HN 0.247 nan 8.230 nan 0.000 0.433 177 L N 0.285 121.512 121.223 0.006 0.000 1.994 177 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 177 L C 2.063 178.911 176.870 -0.035 0.000 1.071 177 L CA 1.785 56.618 54.840 -0.011 0.000 0.745 177 L CB -0.607 41.444 42.059 -0.013 0.000 0.892 177 L HN 0.270 nan 8.230 nan 0.000 0.431 178 E N -1.544 118.610 120.200 -0.077 0.000 2.379 178 E HA -0.038 4.311 4.350 -0.000 0.000 0.209 178 E C -0.012 176.467 176.600 -0.202 0.000 1.284 178 E CA 0.590 56.929 56.400 -0.102 0.000 1.333 178 E CB -0.132 29.467 29.700 -0.169 0.000 1.307 178 E HN 0.539 nan 8.360 nan 0.000 0.441 179 T N -2.265 112.174 114.554 -0.191 0.000 3.285 179 T HA -0.059 4.290 4.350 -0.000 0.000 0.263 179 T C 1.230 175.896 174.700 -0.056 0.000 0.836 179 T CA 0.391 62.239 62.100 -0.420 0.000 0.849 179 T CB 0.057 68.558 68.868 -0.613 0.000 1.252 179 T HN 0.237 nan 8.240 nan 0.000 0.617 180 S N 0.135 115.832 115.700 -0.006 0.000 2.564 180 S HA 0.552 5.021 4.470 -0.000 0.000 0.231 180 S C 1.860 176.488 174.600 0.046 0.000 1.067 180 S CA 1.183 59.409 58.200 0.043 0.000 0.908 180 S CB 0.699 63.919 63.200 0.034 0.000 0.809 180 S HN 0.902 nan 8.310 nan 0.000 0.491 181 G N 2.400 111.217 108.800 0.030 0.000 2.307 181 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.210 181 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.210 181 G C 0.022 174.932 174.900 0.018 0.000 1.005 181 G CA 0.063 45.180 45.100 0.028 0.000 0.634 181 G HN 0.848 nan 8.290 nan 0.000 0.496 182 N N -0.479 118.232 118.700 0.018 0.000 3.184 182 N HA 0.670 5.410 4.740 -0.000 0.000 0.353 182 N C 0.184 175.702 175.510 0.015 0.000 1.441 182 N CA -0.835 52.223 53.050 0.014 0.000 0.723 182 N CB 0.857 39.353 38.487 0.015 0.000 1.547 182 N HN 0.114 nan 8.380 nan 0.000 0.624 183 L N 0.151 121.382 121.223 0.013 0.000 3.202 183 L HA 0.291 4.631 4.340 -0.000 0.000 0.278 183 L C -0.968 175.916 176.870 0.022 0.000 1.268 183 L CA -0.395 54.453 54.840 0.014 0.000 1.034 183 L CB -0.093 41.964 42.059 -0.004 0.000 1.407 183 L HN 0.367 nan 8.230 nan 0.000 0.581 184 D N 1.129 121.547 120.400 0.030 0.000 2.390 184 D HA 0.300 4.939 4.640 -0.000 0.000 0.249 184 D C 1.342 177.682 176.300 0.066 0.000 1.144 184 D CA 0.984 55.008 54.000 0.040 0.000 0.880 184 D CB 1.645 42.462 40.800 0.029 0.000 1.182 184 D HN 0.345 nan 8.370 nan 0.000 0.451 185 G N 1.724 110.585 108.800 0.101 0.000 2.179 185 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.260 185 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.260 185 G C 0.986 176.008 174.900 0.204 0.000 0.977 185 G CA 0.302 45.504 45.100 0.171 0.000 0.641 185 G HN 0.529 nan 8.290 nan 0.000 0.533 186 L N 1.281 122.572 121.223 0.114 0.000 1.978 186 L HA -0.129 4.211 4.340 -0.000 0.000 0.218 186 L C 2.659 179.554 176.870 0.041 0.000 1.075 186 L CA 2.995 57.877 54.840 0.071 0.000 0.767 186 L CB -0.495 41.549 42.059 -0.025 0.000 0.890 186 L HN 0.737 nan 8.230 nan 0.000 0.434 187 E N -1.706 118.452 120.200 -0.070 0.000 2.495 187 E HA -0.213 4.137 4.350 -0.000 0.000 0.204 187 E C 0.012 176.500 176.600 -0.186 0.000 1.163 187 E CA 0.598 56.844 56.400 -0.256 0.000 0.922 187 E CB -0.292 29.212 29.700 -0.328 0.000 0.918 187 E HN 0.633 nan 8.360 nan 0.000 0.537 188 Y N -0.727 119.725 120.300 0.253 0.000 2.809 188 Y HA 0.233 4.783 4.550 -0.000 0.000 0.251 188 Y C 1.029 177.093 175.900 0.273 0.000 1.136 188 Y CA -0.621 57.641 58.100 0.270 0.000 1.185 188 Y CB 0.921 39.500 38.460 0.198 0.000 1.260 188 Y HN -0.110 nan 8.280 nan 0.000 0.576 189 K N 0.554 121.243 120.400 0.481 0.000 2.426 189 K HA 0.293 4.613 4.320 -0.000 0.000 0.193 189 K C -0.075 176.666 176.600 0.233 0.000 1.028 189 K CA 0.494 57.002 56.287 0.368 0.000 1.047 189 K CB 0.955 33.696 32.500 0.401 0.000 0.821 189 K HN 0.245 nan 8.250 nan 0.000 0.513 190 L N 1.733 122.957 121.223 0.003 0.000 2.485 190 L HA 0.210 4.550 4.340 -0.000 0.000 0.260 190 L C -0.978 175.793 176.870 -0.166 0.000 0.998 190 L CA -0.451 54.199 54.840 -0.317 0.000 0.883 190 L CB 1.209 42.686 42.059 -0.970 0.000 1.196 190 L HN 0.106 nan 8.230 nan 0.000 0.443 191 H N 2.880 121.830 119.070 -0.200 0.000 2.620 191 H HA 0.082 4.638 4.556 -0.000 0.000 0.313 191 H C -0.872 174.345 175.328 -0.184 0.000 1.075 191 H CA -0.263 55.730 56.048 -0.091 0.000 1.397 191 H CB 1.643 31.398 29.762 -0.012 0.000 1.446 191 H HN 0.538 nan 8.280 nan 0.000 0.493 192 D N 4.539 125.013 120.400 0.123 0.000 2.346 192 D HA -0.043 4.597 4.640 -0.000 0.000 0.260 192 D C -0.041 176.540 176.300 0.468 0.000 1.252 192 D CA 0.243 54.339 54.000 0.160 0.000 0.895 192 D CB -0.439 40.520 40.800 0.266 0.000 1.097 192 D HN 0.471 nan 8.370 nan 0.000 0.489 193 F N 1.883 121.882 119.950 0.082 0.000 2.668 193 F HA 0.247 4.774 4.527 -0.000 0.000 0.301 193 F C 2.009 177.847 175.800 0.064 0.000 1.106 193 F CA -0.760 57.289 58.000 0.082 0.000 1.289 193 F CB 1.102 40.126 39.000 0.040 0.000 1.006 193 F HN 0.531 nan 8.300 nan 0.000 0.535 194 G N -0.792 108.147 108.800 0.231 0.000 3.088 194 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.212 194 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.212 194 G C 1.125 176.151 174.900 0.210 0.000 1.173 194 G CA -0.110 45.089 45.100 0.166 0.000 0.779 194 G HN 0.467 nan 8.290 nan 0.000 0.540 195 Y N 0.578 120.917 120.300 0.065 0.000 2.165 195 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 195 Y C 2.989 178.903 175.900 0.024 0.000 1.155 195 Y CA 1.090 59.212 58.100 0.037 0.000 1.164 195 Y CB 0.229 38.705 38.460 0.027 0.000 0.978 195 Y HN 0.242 nan 8.280 nan 0.000 0.513 196 R N 0.064 120.644 120.500 0.132 0.000 2.115 196 R HA -0.088 4.252 4.340 -0.000 0.000 0.230 196 R C 2.192 178.520 176.300 0.047 0.000 1.111 196 R CA 1.427 57.535 56.100 0.014 0.000 0.976 196 R CB -0.612 29.688 30.300 0.001 0.000 0.870 196 R HN 0.382 nan 8.270 nan 0.000 0.445 197 G N -0.514 108.339 108.800 0.089 0.000 2.838 197 G HA2 0.091 4.051 3.960 -0.000 0.000 0.210 197 G HA3 0.091 4.051 3.960 -0.000 0.000 0.210 197 G C 0.187 175.136 174.900 0.082 0.000 1.153 197 G CA 0.311 45.456 45.100 0.076 0.000 0.778 197 G HN 0.214 nan 8.290 nan 0.000 0.539 198 V N -0.013 119.967 119.914 0.109 0.000 3.051 198 V HA 0.354 4.474 4.120 -0.000 0.000 0.306 198 V C 1.557 177.682 176.094 0.052 0.000 1.083 198 V CA 0.363 62.717 62.300 0.089 0.000 1.104 198 V CB 1.137 33.024 31.823 0.107 0.000 1.027 198 V HN 0.215 nan 8.190 nan 0.000 0.483 199 S N 1.213 116.921 115.700 0.015 0.000 2.442 199 S HA 0.014 4.484 4.470 -0.000 0.000 0.236 199 S C 0.886 175.487 174.600 0.002 0.000 1.007 199 S CA 0.608 58.809 58.200 0.001 0.000 0.965 199 S CB -0.688 62.500 63.200 -0.020 0.000 0.773 199 S HN 1.785 nan 8.310 nan 0.000 0.504 200 S N -1.430 114.273 115.700 0.006 0.000 2.672 200 S HA 0.431 4.900 4.470 -0.000 0.000 0.271 200 S C 0.145 174.782 174.600 0.060 0.000 1.171 200 S CA -0.849 57.364 58.200 0.021 0.000 0.817 200 S CB 0.893 64.093 63.200 -0.001 0.000 1.150 200 S HN -0.085 nan 8.310 nan 0.000 0.478 201 Q N 0.943 120.788 119.800 0.076 0.000 2.016 201 Q HA -0.065 4.275 4.340 -0.000 0.000 0.200 201 Q C 1.850 177.891 176.000 0.069 0.000 0.978 201 Q CA 2.045 57.924 55.803 0.128 0.000 0.833 201 Q CB -0.692 28.112 28.738 0.109 0.000 0.895 201 Q HN 0.925 nan 8.270 nan 0.000 0.427 202 E N -0.342 119.879 120.200 0.034 0.000 2.209 202 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 202 E C 1.502 178.069 176.600 -0.054 0.000 0.993 202 E CA 1.275 57.679 56.400 0.006 0.000 0.819 202 E CB 0.275 29.996 29.700 0.034 0.000 0.745 202 E HN 0.272 nan 8.360 nan 0.000 0.477 203 T N 0.241 114.758 114.554 -0.062 0.000 2.698 203 T HA -0.084 4.265 4.350 -0.000 0.000 0.260 203 T C 1.870 176.558 174.700 -0.020 0.000 1.044 203 T CA 1.339 63.371 62.100 -0.112 0.000 1.149 203 T CB -0.364 68.400 68.868 -0.172 0.000 0.864 203 T HN 0.344 nan 8.240 nan 0.000 0.419 204 A N 1.472 124.286 122.820 -0.010 0.000 1.927 204 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 204 A C 2.516 179.995 177.584 -0.175 0.000 1.185 204 A CA 2.303 54.287 52.037 -0.089 0.000 0.639 204 A CB -1.541 17.335 19.000 -0.207 0.000 0.820 204 A HN 0.536 nan 8.150 nan 0.000 0.451 205 G N 0.037 108.738 108.800 -0.165 0.000 2.511 205 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 205 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 205 G C 1.529 176.316 174.900 -0.188 0.000 1.218 205 G CA 1.259 46.255 45.100 -0.174 0.000 0.788 205 G HN 0.513 nan 8.290 nan 0.000 0.560 206 I N 1.411 121.844 120.570 -0.228 0.000 2.127 206 I HA -0.105 4.065 4.170 -0.000 0.000 0.241 206 I C 3.122 179.169 176.117 -0.115 0.000 1.075 206 I CA 1.131 62.260 61.300 -0.285 0.000 1.334 206 I CB -0.836 36.979 38.000 -0.308 0.000 1.040 206 I HN 0.264 nan 8.210 nan 0.000 0.405 207 G N 0.760 109.594 108.800 0.056 0.000 2.587 207 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.217 207 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.217 207 G C 1.875 176.717 174.900 -0.096 0.000 1.240 207 G CA 1.249 46.307 45.100 -0.069 0.000 0.794 207 G HN 0.510 nan 8.290 nan 0.000 0.580 208 A N 0.941 123.719 122.820 -0.070 0.000 1.971 208 A HA -0.172 4.148 4.320 -0.000 0.000 0.222 208 A C 2.748 180.291 177.584 -0.069 0.000 1.182 208 A CA 3.276 55.275 52.037 -0.063 0.000 0.649 208 A CB -0.926 17.994 19.000 -0.134 0.000 0.818 208 A HN 1.028 nan 8.150 nan 0.000 0.458 209 S N -0.298 115.351 115.700 -0.086 0.000 2.423 209 S HA 0.126 4.595 4.470 -0.000 0.000 0.231 209 S C 1.970 176.591 174.600 0.035 0.000 1.014 209 S CA 1.238 59.401 58.200 -0.062 0.000 0.965 209 S CB -0.540 62.646 63.200 -0.023 0.000 0.785 209 S HN 0.973 nan 8.310 nan 0.000 0.495 210 A N 1.042 123.906 122.820 0.073 0.000 2.014 210 A HA -0.009 4.310 4.320 -0.000 0.000 0.218 210 A C 2.093 179.630 177.584 -0.078 0.000 1.163 210 A CA 1.240 53.257 52.037 -0.033 0.000 0.652 210 A CB -1.081 17.901 19.000 -0.031 0.000 0.808 210 A HN 0.821 nan 8.150 nan 0.000 0.449 211 H N -0.292 118.697 119.070 -0.135 0.000 2.333 211 H HA 0.052 4.607 4.556 -0.001 0.000 0.302 211 H C 1.745 177.057 175.328 -0.027 0.000 1.075 211 H CA 1.129 57.119 56.048 -0.097 0.000 1.348 211 H CB -0.082 29.603 29.762 -0.129 0.000 1.393 211 H HN 0.376 nan 8.280 nan 0.000 0.509 212 L N 0.848 122.015 121.223 -0.093 0.000 2.349 212 L HA -0.158 4.181 4.340 -0.000 0.000 0.220 212 L C 2.402 179.333 176.870 0.101 0.000 1.130 212 L CA 0.285 55.068 54.840 -0.095 0.000 0.791 212 L CB -0.113 41.860 42.059 -0.143 0.000 0.918 212 L HN 0.232 nan 8.230 nan 0.000 0.444 213 V N -0.041 119.872 119.914 -0.001 0.000 2.667 213 V HA -0.181 3.939 4.120 -0.000 0.000 0.252 213 V C 1.767 177.701 176.094 -0.267 0.000 1.065 213 V CA 1.534 63.622 62.300 -0.354 0.000 1.083 213 V CB -0.383 31.051 31.823 -0.650 0.000 0.692 213 V HN 0.582 nan 8.190 nan 0.000 0.468 214 N N -1.817 116.813 118.700 -0.118 0.000 2.348 214 N HA 0.198 4.938 4.740 -0.000 0.000 0.183 214 N C -0.026 175.266 175.510 -0.364 0.000 1.094 214 N CA 0.351 53.316 53.050 -0.142 0.000 0.885 214 N CB 0.907 39.454 38.487 0.099 0.000 1.065 214 N HN 0.389 nan 8.380 nan 0.000 0.472 215 F N -0.096 119.685 119.950 -0.282 0.000 2.726 215 F HA 0.430 4.957 4.527 -0.000 0.000 0.324 215 F C 1.021 176.536 175.800 -0.475 0.000 1.140 215 F CA -0.823 56.950 58.000 -0.379 0.000 0.964 215 F CB 1.634 40.401 39.000 -0.389 0.000 1.399 215 F HN -0.438 nan 8.300 nan 0.000 0.491 216 K N -0.322 119.837 120.400 -0.401 0.000 2.438 216 K HA 0.284 4.604 4.320 -0.000 0.000 0.206 216 K C 0.203 176.613 176.600 -0.316 0.000 1.081 216 K CA -0.081 55.951 56.287 -0.426 0.000 1.053 216 K CB 1.224 33.371 32.500 -0.589 0.000 0.908 216 K HN 0.676 nan 8.250 nan 0.000 0.556 217 G N 0.978 109.579 108.800 -0.331 0.000 2.356 217 G HA2 0.287 4.247 3.960 -0.000 0.000 0.312 217 G HA3 0.287 4.247 3.960 -0.000 0.000 0.312 217 G C -0.831 173.637 174.900 -0.720 0.000 1.096 217 G CA 0.059 44.965 45.100 -0.324 0.000 0.950 217 G HN -0.060 nan 8.290 nan 0.000 0.428 218 T N 0.911 115.070 114.554 -0.658 0.000 3.041 218 T HA 0.342 4.692 4.350 -0.000 0.000 0.321 218 T C -0.581 174.073 174.700 -0.077 0.000 1.184 218 T CA -0.522 61.362 62.100 -0.360 0.000 1.050 218 T CB 1.966 70.721 68.868 -0.188 0.000 1.159 218 T HN 0.244 nan 8.240 nan 0.000 0.469 219 D N 1.620 122.113 120.400 0.154 0.000 2.407 219 D HA 0.212 4.852 4.640 -0.000 0.000 0.208 219 D C 0.545 176.931 176.300 0.143 0.000 1.083 219 D CA 0.320 54.444 54.000 0.207 0.000 0.844 219 D CB 0.576 41.518 40.800 0.236 0.000 0.967 219 D HN 0.514 nan 8.370 nan 0.000 0.506 220 T N 1.024 115.615 114.554 0.061 0.000 3.945 220 T HA 0.067 4.417 4.350 -0.000 0.000 0.306 220 T C 1.827 176.396 174.700 -0.218 0.000 1.475 220 T CA -0.162 61.858 62.100 -0.133 0.000 1.177 220 T CB 0.401 69.117 68.868 -0.254 0.000 1.272 220 T HN -0.141 nan 8.240 nan 0.000 0.930 221 V N 1.839 121.716 119.914 -0.061 0.000 2.280 221 V HA -0.378 3.742 4.120 -0.000 0.000 0.258 221 V C 2.859 178.882 176.094 -0.118 0.000 1.081 221 V CA 2.362 64.638 62.300 -0.041 0.000 1.070 221 V CB -1.460 30.398 31.823 0.059 0.000 0.666 221 V HN 0.848 nan 8.190 nan 0.000 0.450 222 A N 0.752 123.432 122.820 -0.233 0.000 1.894 222 A HA -0.288 4.032 4.320 -0.000 0.000 0.220 222 A C 2.504 179.985 177.584 -0.172 0.000 1.237 222 A CA 2.867 54.774 52.037 -0.218 0.000 0.660 222 A CB -1.627 17.137 19.000 -0.394 0.000 0.835 222 A HN 0.671 nan 8.150 nan 0.000 0.461 223 G N -0.383 108.284 108.800 -0.221 0.000 2.505 223 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 223 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 223 G C 1.523 176.319 174.900 -0.172 0.000 1.145 223 G CA 1.248 46.239 45.100 -0.183 0.000 0.761 223 G HN 0.549 nan 8.290 nan 0.000 0.571 224 I N 1.374 121.848 120.570 -0.161 0.000 2.127 224 I HA -0.247 3.923 4.170 -0.000 0.000 0.241 224 I C 3.346 179.405 176.117 -0.098 0.000 1.075 224 I CA 1.142 62.349 61.300 -0.156 0.000 1.334 224 I CB -0.382 37.555 38.000 -0.104 0.000 1.040 224 I HN 0.262 nan 8.210 nan 0.000 0.405 225 A N 0.713 123.504 122.820 -0.049 0.000 1.917 225 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 225 A C 2.385 180.005 177.584 0.060 0.000 1.182 225 A CA 1.871 53.908 52.037 0.001 0.000 0.633 225 A CB -0.992 18.017 19.000 0.015 0.000 0.819 225 A HN 0.498 nan 8.150 nan 0.000 0.448 226 L N -0.541 120.730 121.223 0.079 0.000 2.083 226 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 226 L C 2.353 179.407 176.870 0.306 0.000 1.083 226 L CA 1.434 56.418 54.840 0.240 0.000 0.752 226 L CB -0.220 41.898 42.059 0.099 0.000 0.899 226 L HN 0.465 nan 8.230 nan 0.000 0.433 227 I N -0.184 120.431 120.570 0.075 0.000 2.113 227 I HA -0.328 3.842 4.170 -0.000 0.000 0.238 227 I C 2.393 178.591 176.117 0.136 0.000 1.070 227 I CA 1.530 62.850 61.300 0.034 0.000 1.332 227 I CB -0.406 37.311 38.000 -0.472 0.000 1.044 227 I HN 0.181 nan 8.210 nan 0.000 0.402 228 K N 0.517 120.934 120.400 0.029 0.000 2.360 228 K HA -0.222 4.098 4.320 -0.000 0.000 0.201 228 K C 2.061 178.672 176.600 0.019 0.000 1.046 228 K CA 1.114 57.419 56.287 0.029 0.000 0.940 228 K CB -0.079 32.418 32.500 -0.004 0.000 0.748 228 K HN 0.279 nan 8.250 nan 0.000 0.465 229 K N -0.506 119.914 120.400 0.033 0.000 2.276 229 K HA -0.019 4.301 4.320 -0.000 0.000 0.198 229 K C 0.812 177.193 176.600 -0.365 0.000 1.052 229 K CA 0.672 56.866 56.287 -0.155 0.000 0.984 229 K CB 0.368 32.768 32.500 -0.166 0.000 0.836 229 K HN 0.065 nan 8.250 nan 0.000 0.490 230 Y N -1.973 118.374 120.300 0.078 0.000 2.453 230 Y HA 0.171 4.720 4.550 -0.001 0.000 0.247 230 Y C 0.515 176.292 175.900 -0.206 0.000 1.124 230 Y CA -0.176 57.901 58.100 -0.038 0.000 1.243 230 Y CB 0.817 39.297 38.460 0.034 0.000 1.213 230 Y HN 0.016 nan 8.280 nan 0.000 0.523 231 Y N -1.112 119.322 120.300 0.223 0.000 2.550 231 Y HA 0.460 5.009 4.550 -0.001 0.000 0.275 231 Y C 1.336 177.344 175.900 0.179 0.000 1.148 231 Y CA -0.180 58.070 58.100 0.249 0.000 1.200 231 Y CB 0.499 39.212 38.460 0.421 0.000 1.299 231 Y HN -0.102 nan 8.280 nan 0.000 0.509 232 G N 1.240 110.200 108.800 0.267 0.000 2.825 232 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.686 232 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.686 232 G C -0.541 174.472 174.900 0.188 0.000 1.362 232 G CA 0.048 45.241 45.100 0.156 0.000 0.975 232 G HN 0.121 nan 8.290 nan 0.000 0.594 233 T N 2.278 116.901 114.554 0.115 0.000 2.881 233 T HA 0.571 4.921 4.350 -0.000 0.000 0.290 233 T C 0.904 175.648 174.700 0.074 0.000 1.000 233 T CA -0.680 61.490 62.100 0.118 0.000 0.978 233 T CB 1.950 70.869 68.868 0.085 0.000 0.997 233 T HN 0.560 nan 8.240 nan 0.000 0.443 234 K N 0.725 121.168 120.400 0.072 0.000 2.334 234 K HA 0.190 4.510 4.320 -0.000 0.000 0.195 234 K C 0.608 177.232 176.600 0.041 0.000 1.045 234 K CA -0.069 56.247 56.287 0.048 0.000 1.004 234 K CB 0.056 32.581 32.500 0.043 0.000 0.837 234 K HN 0.587 nan 8.250 nan 0.000 0.510 235 D N 0.769 121.199 120.400 0.050 0.000 2.364 235 D HA -0.045 4.595 4.640 -0.000 0.000 0.236 235 D C -1.207 175.112 176.300 0.032 0.000 1.221 235 D CA -0.949 53.075 54.000 0.040 0.000 0.891 235 D CB 0.804 41.635 40.800 0.052 0.000 1.190 235 D HN -0.066 nan 8.370 nan 0.000 0.449 236 P HA -0.050 nan 4.420 nan 0.000 0.212 236 P C -0.187 177.131 177.300 0.030 0.000 1.179 236 P CA 0.496 63.609 63.100 0.022 0.000 0.898 236 P CB 0.225 31.933 31.700 0.013 0.000 0.775 237 V N 3.812 123.747 119.914 0.036 0.000 2.240 237 V HA 0.143 4.262 4.120 -0.000 0.000 0.265 237 V C -1.132 174.989 176.094 0.046 0.000 1.073 237 V CA -1.024 61.312 62.300 0.059 0.000 0.857 237 V CB 0.771 32.648 31.823 0.090 0.000 1.114 237 V HN 0.159 nan 8.190 nan 0.000 0.469 238 P HA 0.022 nan 4.420 nan 0.000 0.222 238 P C 0.684 177.944 177.300 -0.066 0.000 1.147 238 P CA 0.925 64.004 63.100 -0.036 0.000 0.790 238 P CB 0.606 32.240 31.700 -0.109 0.000 0.780 239 G N -1.001 107.789 108.800 -0.017 0.000 2.684 239 G HA2 0.379 4.339 3.960 -0.000 0.000 0.289 239 G HA3 0.379 4.339 3.960 -0.000 0.000 0.289 239 G C -2.265 172.709 174.900 0.123 0.000 1.416 239 G CA -0.283 44.808 45.100 -0.015 0.000 1.235 239 G HN -0.057 nan 8.290 nan 0.000 0.576 240 Y N 1.921 122.255 120.300 0.057 0.000 2.496 240 Y HA 0.834 5.384 4.550 -0.001 0.000 0.331 240 Y C -0.019 175.997 175.900 0.194 0.000 1.140 240 Y CA -1.261 56.936 58.100 0.163 0.000 1.166 240 Y CB 2.588 41.247 38.460 0.333 0.000 1.249 240 Y HN 0.708 nan 8.280 nan 0.000 0.479 241 S N 3.486 118.779 115.700 -0.679 0.000 2.548 241 S HA 0.601 5.071 4.470 -0.000 0.000 0.278 241 S C -1.686 172.501 174.600 -0.688 0.000 1.150 241 S CA -0.392 57.540 58.200 -0.445 0.000 0.907 241 S CB 0.201 63.362 63.200 -0.064 0.000 1.108 241 S HN 1.141 nan 8.310 nan 0.000 0.459 242 V N 2.250 121.862 119.914 -0.504 0.000 2.966 242 V HA 0.872 4.991 4.120 -0.000 0.000 0.317 242 V C -2.413 173.501 176.094 -0.300 0.000 1.070 242 V CA -2.112 59.976 62.300 -0.353 0.000 1.008 242 V CB 0.942 32.614 31.823 -0.253 0.000 1.070 242 V HN 0.778 nan 8.190 nan 0.000 0.457 243 P HA 0.564 nan 4.420 nan 0.000 0.271 243 P C -0.608 176.386 177.300 -0.509 0.000 1.218 243 P CA 0.049 62.845 63.100 -0.506 0.000 0.780 243 P CB 1.368 32.506 31.700 -0.937 0.000 0.901 244 A N 1.162 123.715 122.820 -0.446 0.000 2.587 244 A HA 0.718 5.038 4.320 -0.000 0.000 0.293 244 A C -0.922 176.516 177.584 -0.243 0.000 1.087 244 A CA -0.618 51.215 52.037 -0.340 0.000 0.692 244 A CB 1.398 20.203 19.000 -0.323 0.000 1.291 244 A HN 0.599 nan 8.150 nan 0.000 0.407 245 A N 0.250 122.978 122.820 -0.154 0.000 2.279 245 A HA 0.736 5.056 4.320 -0.000 0.000 0.303 245 A C 0.024 177.568 177.584 -0.068 0.000 1.108 245 A CA 0.214 52.229 52.037 -0.037 0.000 0.830 245 A CB 0.330 19.373 19.000 0.072 0.000 1.106 245 A HN 1.148 nan 8.150 nan 0.000 0.493 246 E N -0.510 119.681 120.200 -0.014 0.000 2.410 246 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 246 E C -0.130 176.514 176.600 0.074 0.000 0.937 246 E CA -0.714 55.645 56.400 -0.069 0.000 0.793 246 E CB 0.671 30.320 29.700 -0.086 0.000 1.314 246 E HN 0.681 nan 8.360 nan 0.000 0.447 247 H N -0.020 119.044 119.070 -0.010 0.000 2.387 247 H HA -0.159 4.397 4.556 -0.000 0.000 0.299 247 H C 2.155 177.499 175.328 0.026 0.000 1.099 247 H CA 1.615 57.658 56.048 -0.007 0.000 1.315 247 H CB 0.270 30.008 29.762 -0.040 0.000 1.380 247 H HN 0.638 nan 8.280 nan 0.000 0.513 248 S N 0.506 116.300 115.700 0.156 0.000 2.356 248 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 248 S C 2.340 177.037 174.600 0.162 0.000 1.032 248 S CA 1.592 59.865 58.200 0.122 0.000 1.005 248 S CB -0.842 62.404 63.200 0.077 0.000 0.867 248 S HN 0.571 nan 8.310 nan 0.000 0.449 249 T N -0.806 113.854 114.554 0.177 0.000 3.025 249 T HA 0.174 4.524 4.350 -0.000 0.000 0.270 249 T C 1.570 176.495 174.700 0.375 0.000 1.126 249 T CA 1.034 63.291 62.100 0.260 0.000 1.105 249 T CB -0.542 68.466 68.868 0.233 0.000 0.884 249 T HN 0.531 nan 8.240 nan 0.000 0.522 250 I N 1.310 122.054 120.570 0.290 0.000 3.345 250 I HA 0.020 4.190 4.170 -0.000 0.000 0.258 250 I C 2.887 179.167 176.117 0.271 0.000 1.134 250 I CA 0.950 62.395 61.300 0.242 0.000 1.457 250 I CB -0.249 37.852 38.000 0.169 0.000 1.425 250 I HN 0.292 nan 8.210 nan 0.000 0.461 251 T N -0.002 114.662 114.554 0.183 0.000 2.897 251 T HA -0.115 4.234 4.350 -0.000 0.000 0.271 251 T C 1.804 176.642 174.700 0.231 0.000 1.084 251 T CA 1.087 63.304 62.100 0.196 0.000 1.123 251 T CB -0.414 68.499 68.868 0.076 0.000 0.865 251 T HN 0.301 nan 8.240 nan 0.000 0.496 252 A N 0.321 123.278 122.820 0.228 0.000 2.067 252 A HA 0.104 4.424 4.320 -0.000 0.000 0.219 252 A C 1.804 179.461 177.584 0.122 0.000 1.158 252 A CA 0.716 52.834 52.037 0.135 0.000 0.661 252 A CB -1.110 17.933 19.000 0.071 0.000 0.801 252 A HN 0.733 nan 8.150 nan 0.000 0.452 253 W N -0.435 120.894 121.300 0.048 0.000 2.937 253 W HA 0.371 5.031 4.660 -0.001 0.000 0.245 253 W C 1.264 177.853 176.519 0.118 0.000 1.306 253 W CA 1.194 58.566 57.345 0.045 0.000 1.470 253 W CB -0.330 29.152 29.460 0.037 0.000 1.132 253 W HN 0.618 nan 8.180 nan 0.000 0.675 254 G N 0.385 109.358 108.800 0.288 0.000 2.785 254 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.686 254 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.686 254 G C 0.556 175.487 174.900 0.051 0.000 1.155 254 G CA -0.182 45.019 45.100 0.169 0.000 0.760 254 G HN 0.144 nan 8.290 nan 0.000 0.624 255 K N 0.340 120.646 120.400 -0.156 0.000 2.059 255 K HA -0.190 4.129 4.320 -0.000 0.000 0.212 255 K C 1.601 177.908 176.600 -0.489 0.000 1.050 255 K CA 2.356 58.259 56.287 -0.641 0.000 0.927 255 K CB -0.165 31.829 32.500 -0.844 0.000 0.714 255 K HN 0.487 nan 8.250 nan 0.000 0.447 256 D N -0.432 119.713 120.400 -0.425 0.000 2.371 256 D HA -0.067 4.573 4.640 -0.000 0.000 0.234 256 D C 0.151 176.076 176.300 -0.624 0.000 1.049 256 D CA 0.723 54.418 54.000 -0.508 0.000 0.907 256 D CB 0.145 40.617 40.800 -0.546 0.000 0.891 256 D HN 0.337 nan 8.370 nan 0.000 0.531 257 H N -1.171 117.850 119.070 -0.082 0.000 2.665 257 H HA 0.138 4.694 4.556 -0.000 0.000 0.248 257 H C 1.071 176.306 175.328 -0.156 0.000 1.175 257 H CA -0.139 55.885 56.048 -0.040 0.000 0.952 257 H CB 0.308 30.148 29.762 0.130 0.000 1.883 257 H HN 0.246 nan 8.280 nan 0.000 0.623 258 E N 1.748 121.833 120.200 -0.192 0.000 2.118 258 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 258 E C 2.129 178.286 176.600 -0.738 0.000 0.992 258 E CA 0.993 57.116 56.400 -0.461 0.000 0.804 258 E CB 0.384 29.806 29.700 -0.464 0.000 0.741 258 E HN 0.256 nan 8.360 nan 0.000 0.458 259 K N 0.392 120.510 120.400 -0.471 0.000 2.026 259 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 259 K C 1.611 178.025 176.600 -0.311 0.000 1.048 259 K CA 1.738 57.800 56.287 -0.375 0.000 0.929 259 K CB -0.025 32.357 32.500 -0.196 0.000 0.713 259 K HN 0.120 nan 8.250 nan 0.000 0.439 260 D N 0.472 120.727 120.400 -0.242 0.000 2.149 260 D HA -0.179 4.461 4.640 -0.000 0.000 0.198 260 D C 1.748 177.546 176.300 -0.835 0.000 0.990 260 D CA 1.381 55.209 54.000 -0.286 0.000 0.839 260 D CB -0.074 40.727 40.800 0.001 0.000 0.948 260 D HN 0.377 nan 8.370 nan 0.000 0.460 261 A N 0.788 122.956 122.820 -1.087 0.000 1.872 261 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 261 A C 2.022 179.336 177.584 -0.450 0.000 1.187 261 A CA 0.761 51.930 52.037 -1.447 0.000 0.614 261 A CB -0.769 17.562 19.000 -1.115 0.000 0.826 261 A HN 0.046 nan 8.150 nan 0.000 0.442 262 F N 0.292 119.987 119.950 -0.425 0.000 2.095 262 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 262 F C 2.359 178.077 175.800 -0.137 0.000 1.104 262 F CA 1.382 59.211 58.000 -0.285 0.000 1.232 262 F CB -1.075 37.427 39.000 -0.830 0.000 0.987 262 F HN 0.506 nan 8.300 nan 0.000 0.475 263 E N -1.197 118.996 120.200 -0.012 0.000 2.338 263 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 263 E C 1.964 178.583 176.600 0.032 0.000 1.007 263 E CA 0.901 57.309 56.400 0.013 0.000 0.849 263 E CB -0.176 29.513 29.700 -0.018 0.000 0.774 263 E HN 0.512 nan 8.360 nan 0.000 0.506 264 H N -0.528 118.474 119.070 -0.114 0.000 2.384 264 H HA 0.022 4.578 4.556 -0.000 0.000 0.300 264 H C 1.626 177.006 175.328 0.088 0.000 1.057 264 H CA 1.329 57.363 56.048 -0.024 0.000 1.370 264 H CB 0.143 29.861 29.762 -0.074 0.000 1.417 264 H HN 0.130 nan 8.280 nan 0.000 0.527 265 I N 0.673 121.311 120.570 0.113 0.000 2.252 265 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 265 I C 2.580 178.829 176.117 0.220 0.000 1.102 265 I CA 1.232 62.665 61.300 0.222 0.000 1.385 265 I CB -0.737 37.436 38.000 0.288 0.000 1.064 265 I HN 0.351 nan 8.210 nan 0.000 0.414 266 V N -2.731 117.287 119.914 0.173 0.000 2.490 266 V HA -0.237 3.883 4.120 -0.000 0.000 0.250 266 V C 2.184 178.311 176.094 0.055 0.000 1.061 266 V CA 2.274 64.652 62.300 0.131 0.000 1.064 266 V CB -1.831 30.082 31.823 0.150 0.000 0.670 266 V HN 0.390 nan 8.190 nan 0.000 0.461 267 T N -0.323 114.221 114.554 -0.017 0.000 2.812 267 T HA -0.101 4.248 4.350 -0.000 0.000 0.264 267 T C 2.025 176.616 174.700 -0.183 0.000 1.042 267 T CA 1.588 63.637 62.100 -0.084 0.000 1.140 267 T CB -0.282 68.526 68.868 -0.099 0.000 0.870 267 T HN 0.484 nan 8.240 nan 0.000 0.445 268 Q N 0.230 119.832 119.800 -0.330 0.000 2.170 268 Q HA 0.022 4.361 4.340 -0.000 0.000 0.203 268 Q C 0.313 175.825 176.000 -0.814 0.000 0.976 268 Q CA 1.069 56.493 55.803 -0.630 0.000 0.858 268 Q CB -0.153 28.076 28.738 -0.849 0.000 0.907 268 Q HN 0.588 nan 8.270 nan 0.000 0.433 269 F N -0.050 119.867 119.950 -0.056 0.000 2.679 269 F HA 0.207 4.733 4.527 -0.000 0.000 0.354 269 F C 1.240 177.017 175.800 -0.037 0.000 1.423 269 F CA -0.358 57.620 58.000 -0.037 0.000 1.141 269 F CB 0.267 39.246 39.000 -0.036 0.000 1.168 269 F HN -0.107 nan 8.300 nan 0.000 0.530 270 S N -1.340 114.390 115.700 0.050 0.000 2.428 270 S HA -0.140 4.330 4.470 -0.000 0.000 0.230 270 S C 1.942 176.561 174.600 0.032 0.000 1.014 270 S CA 1.113 59.331 58.200 0.030 0.000 0.957 270 S CB -0.432 62.766 63.200 -0.003 0.000 0.784 270 S HN 0.405 nan 8.310 nan 0.000 0.499 271 S N 1.326 117.049 115.700 0.039 0.000 2.446 271 S HA 0.229 4.699 4.470 -0.000 0.000 0.225 271 S C 0.754 175.388 174.600 0.056 0.000 1.016 271 S CA 0.119 58.342 58.200 0.038 0.000 0.943 271 S CB -0.758 62.459 63.200 0.029 0.000 0.786 271 S HN 0.712 nan 8.310 nan 0.000 0.508 272 V N -1.018 118.951 119.914 0.091 0.000 2.815 272 V HA 0.645 4.765 4.120 -0.000 0.000 0.314 272 V C -3.040 173.087 176.094 0.054 0.000 1.064 272 V CA -3.238 59.115 62.300 0.087 0.000 0.952 272 V CB 1.421 33.320 31.823 0.126 0.000 1.020 272 V HN -0.044 nan 8.190 nan 0.000 0.439 273 P HA 0.098 nan 4.420 nan 0.000 0.261 273 P C -0.610 176.639 177.300 -0.085 0.000 1.203 273 P CA 0.518 63.599 63.100 -0.031 0.000 0.767 273 P CB 1.272 32.958 31.700 -0.023 0.000 0.785 274 V N 3.607 123.452 119.914 -0.115 0.000 2.448 274 V HA 0.362 4.482 4.120 -0.000 0.000 0.295 274 V C 0.007 175.963 176.094 -0.230 0.000 1.025 274 V CA -0.518 61.669 62.300 -0.189 0.000 0.859 274 V CB 1.832 33.589 31.823 -0.110 0.000 0.988 274 V HN 0.670 nan 8.190 nan 0.000 0.431 275 S N 5.736 121.280 115.700 -0.259 0.000 2.554 275 S HA 0.767 5.236 4.470 -0.000 0.000 0.278 275 S C -0.935 173.526 174.600 -0.231 0.000 1.242 275 S CA -0.434 57.612 58.200 -0.258 0.000 1.051 275 S CB 1.419 64.474 63.200 -0.241 0.000 0.986 275 S HN 0.786 nan 8.310 nan 0.000 0.502 276 V N 5.221 124.989 119.914 -0.244 0.000 2.488 276 V HA 0.312 4.432 4.120 -0.000 0.000 0.293 276 V C -0.326 175.715 176.094 -0.088 0.000 1.027 276 V CA -0.957 61.260 62.300 -0.139 0.000 0.862 276 V CB 1.534 33.281 31.823 -0.127 0.000 1.008 276 V HN 0.868 nan 8.190 nan 0.000 0.428 277 V N 3.424 123.353 119.914 0.026 0.000 2.763 277 V HA 0.191 4.310 4.120 -0.000 0.000 0.306 277 V C 0.989 177.234 176.094 0.251 0.000 1.059 277 V CA 0.417 62.779 62.300 0.103 0.000 1.138 277 V CB 0.980 32.899 31.823 0.160 0.000 0.940 277 V HN 0.996 nan 8.190 nan 0.000 0.489 278 S N 0.612 116.444 115.700 0.221 0.000 2.900 278 S HA 0.092 4.562 4.470 -0.000 0.000 0.253 278 S C 0.665 175.366 174.600 0.168 0.000 1.029 278 S CA 0.020 58.432 58.200 0.352 0.000 1.096 278 S CB -0.016 63.393 63.200 0.348 0.000 1.067 278 S HN 1.016 nan 8.310 nan 0.000 0.610 279 D N 0.854 121.297 120.400 0.072 0.000 2.388 279 D HA 0.208 4.847 4.640 -0.000 0.000 0.221 279 D C 1.015 177.177 176.300 -0.230 0.000 1.133 279 D CA -0.036 53.932 54.000 -0.053 0.000 0.831 279 D CB -0.153 40.630 40.800 -0.027 0.000 0.962 279 D HN 0.044 nan 8.370 nan 0.000 0.502 280 S N -0.123 115.355 115.700 -0.369 0.000 2.365 280 S HA -0.126 4.343 4.470 -0.000 0.000 0.221 280 S C 0.046 174.093 174.600 -0.922 0.000 1.037 280 S CA 1.108 58.784 58.200 -0.873 0.000 1.060 280 S CB -0.406 62.169 63.200 -1.040 0.000 0.974 280 S HN 0.509 nan 8.310 nan 0.000 0.427 281 Y N 0.346 120.587 120.300 -0.098 0.000 2.442 281 Y HA 0.408 4.958 4.550 -0.000 0.000 0.344 281 Y C -0.296 175.572 175.900 -0.053 0.000 0.976 281 Y CA -1.528 56.525 58.100 -0.077 0.000 1.040 281 Y CB 0.672 39.080 38.460 -0.086 0.000 1.228 281 Y HN -0.063 nan 8.280 nan 0.000 0.451 282 D N 2.268 122.718 120.400 0.084 0.000 4.055 282 D HA -0.220 4.420 4.640 -0.000 0.000 0.198 282 D C 0.815 177.106 176.300 -0.015 0.000 1.089 282 D CA 0.551 54.574 54.000 0.038 0.000 1.033 282 D CB 0.272 41.126 40.800 0.089 0.000 0.876 282 D HN 0.785 nan 8.370 nan 0.000 0.468 283 I N 4.230 124.691 120.570 -0.181 0.000 2.264 283 I HA -0.266 3.903 4.170 -0.000 0.000 0.248 283 I C 1.580 177.585 176.117 -0.188 0.000 1.111 283 I CA 1.583 62.738 61.300 -0.242 0.000 1.382 283 I CB -0.216 37.482 38.000 -0.503 0.000 1.060 283 I HN 0.480 nan 8.210 nan 0.000 0.418 284 Y N -0.202 120.160 120.300 0.103 0.000 2.578 284 Y HA -0.034 4.516 4.550 -0.001 0.000 0.297 284 Y C 2.283 178.248 175.900 0.108 0.000 1.176 284 Y CA 0.599 58.759 58.100 0.100 0.000 1.315 284 Y CB -0.609 37.897 38.460 0.076 0.000 1.031 284 Y HN 0.368 nan 8.280 nan 0.000 0.524 285 N N 0.512 119.327 118.700 0.192 0.000 2.428 285 N HA -0.062 4.677 4.740 -0.000 0.000 0.181 285 N C 2.029 177.632 175.510 0.156 0.000 1.028 285 N CA 0.900 54.041 53.050 0.151 0.000 0.877 285 N CB -0.007 38.540 38.487 0.101 0.000 1.064 285 N HN 0.259 nan 8.380 nan 0.000 0.434 286 A N 0.787 123.716 122.820 0.181 0.000 1.978 286 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 286 A C 2.599 180.392 177.584 0.348 0.000 1.170 286 A CA 1.204 53.391 52.037 0.249 0.000 0.636 286 A CB -0.931 18.347 19.000 0.463 0.000 0.810 286 A HN 0.561 nan 8.150 nan 0.000 0.448 287 C N -1.701 117.815 119.300 0.360 0.000 2.522 287 C HA 0.047 4.507 4.460 -0.000 0.000 0.280 287 C C 2.641 177.836 174.990 0.342 0.000 1.303 287 C CA 1.081 60.341 59.018 0.403 0.000 1.709 287 C CB -0.700 27.215 27.740 0.292 0.000 2.071 287 C HN 0.777 nan 8.230 nan 0.000 0.492 288 E N 0.397 120.754 120.200 0.261 0.000 2.216 288 E HA -0.153 4.196 4.350 -0.000 0.000 0.192 288 E C 2.092 178.791 176.600 0.165 0.000 0.988 288 E CA 0.902 57.424 56.400 0.204 0.000 0.834 288 E CB 0.073 29.872 29.700 0.165 0.000 0.772 288 E HN 0.593 nan 8.360 nan 0.000 0.479 289 K N -0.131 120.359 120.400 0.150 0.000 2.312 289 K HA 0.081 4.401 4.320 -0.000 0.000 0.206 289 K C 2.070 178.720 176.600 0.083 0.000 1.121 289 K CA 0.190 56.537 56.287 0.099 0.000 0.923 289 K CB 0.164 32.702 32.500 0.063 0.000 1.162 289 K HN -0.015 nan 8.250 nan 0.000 0.478 290 I N 0.240 120.835 120.570 0.042 0.000 2.226 290 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 290 I C 1.604 177.679 176.117 -0.069 0.000 1.100 290 I CA 1.599 62.851 61.300 -0.080 0.000 1.374 290 I CB -0.754 37.137 38.000 -0.181 0.000 1.057 290 I HN 0.385 nan 8.210 nan 0.000 0.413 291 W N 0.441 121.858 121.300 0.195 0.000 2.762 291 W HA 0.201 4.861 4.660 -0.000 0.000 0.265 291 W C 2.476 179.176 176.519 0.302 0.000 1.263 291 W CA 0.429 57.883 57.345 0.183 0.000 1.411 291 W CB -0.497 29.022 29.460 0.099 0.000 1.065 291 W HN 0.025 nan 8.180 nan 0.000 0.609 292 G N 0.130 109.200 108.800 0.451 0.000 2.712 292 G HA2 -0.001 3.958 3.960 -0.000 0.000 0.212 292 G HA3 -0.001 3.958 3.960 -0.000 0.000 0.212 292 G C 1.030 175.981 174.900 0.086 0.000 1.142 292 G CA 0.839 46.096 45.100 0.262 0.000 0.789 292 G HN 0.271 nan 8.290 nan 0.000 0.535 293 E N -0.523 119.756 120.200 0.131 0.000 3.823 293 E HA 0.005 4.354 4.350 -0.000 0.000 0.225 293 E C 1.210 177.887 176.600 0.129 0.000 1.257 293 E CA -0.088 56.366 56.400 0.090 0.000 1.684 293 E CB 0.110 29.846 29.700 0.060 0.000 1.550 293 E HN 0.021 nan 8.360 nan 0.000 0.709 294 D N 1.289 121.752 120.400 0.104 0.000 2.182 294 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 294 D C 1.491 177.893 176.300 0.170 0.000 0.986 294 D CA 1.220 55.286 54.000 0.111 0.000 0.847 294 D CB 0.332 41.152 40.800 0.034 0.000 0.942 294 D HN 0.177 nan 8.370 nan 0.000 0.467 295 L N -0.284 121.003 121.223 0.106 0.000 3.184 295 L HA 0.253 4.593 4.340 -0.000 0.000 0.283 295 L C 1.903 178.768 176.870 -0.009 0.000 1.218 295 L CA -0.373 54.434 54.840 -0.054 0.000 1.028 295 L CB 0.658 42.711 42.059 -0.009 0.000 1.400 295 L HN -0.229 nan 8.230 nan 0.000 0.591 296 R N 1.092 121.708 120.500 0.192 0.000 2.112 296 R HA -0.207 4.133 4.340 -0.000 0.000 0.242 296 R C 2.181 178.580 176.300 0.166 0.000 1.137 296 R CA 2.238 58.504 56.100 0.277 0.000 0.944 296 R CB -0.581 29.810 30.300 0.152 0.000 0.857 296 R HN 0.615 nan 8.270 nan 0.000 0.435 297 H N -0.034 119.098 119.070 0.103 0.000 2.518 297 H HA -0.106 4.450 4.556 -0.000 0.000 0.294 297 H C 1.812 177.165 175.328 0.042 0.000 1.083 297 H CA 1.019 57.098 56.048 0.052 0.000 1.264 297 H CB -0.513 29.271 29.762 0.036 0.000 1.370 297 H HN 0.257 nan 8.280 nan 0.000 0.560 298 L N -0.015 121.036 121.223 -0.287 0.000 2.529 298 L HA 0.131 4.471 4.340 -0.000 0.000 0.223 298 L C 2.161 178.988 176.870 -0.071 0.000 1.113 298 L CA 0.145 54.893 54.840 -0.153 0.000 0.861 298 L CB 0.111 42.072 42.059 -0.163 0.000 1.012 298 L HN 0.164 nan 8.230 nan 0.000 0.461 299 I N -1.522 119.019 120.570 -0.049 0.000 2.685 299 I HA -0.078 4.092 4.170 -0.000 0.000 0.251 299 I C 2.216 178.067 176.117 -0.443 0.000 1.102 299 I CA 0.354 61.585 61.300 -0.116 0.000 1.442 299 I CB -0.086 37.902 38.000 -0.019 0.000 1.194 299 I HN -0.126 nan 8.210 nan 0.000 0.448 300 V N 1.102 120.748 119.914 -0.447 0.000 2.720 300 V HA -0.199 3.921 4.120 -0.000 0.000 0.256 300 V C 2.141 177.830 176.094 -0.675 0.000 1.082 300 V CA 2.001 63.720 62.300 -0.969 0.000 1.101 300 V CB -1.038 30.641 31.823 -0.240 0.000 0.693 300 V HN 0.574 nan 8.190 nan 0.000 0.479 301 S N -0.577 114.932 115.700 -0.318 0.000 2.710 301 S HA 0.211 4.680 4.470 -0.000 0.000 0.224 301 S C 0.621 175.143 174.600 -0.131 0.000 0.948 301 S CA -0.380 57.724 58.200 -0.159 0.000 0.949 301 S CB -0.211 62.955 63.200 -0.057 0.000 0.778 301 S HN 0.596 nan 8.310 nan 0.000 0.498 302 R N 1.282 121.666 120.500 -0.193 0.000 2.486 302 R HA 0.505 4.845 4.340 -0.000 0.000 0.286 302 R C 0.152 176.468 176.300 0.027 0.000 0.999 302 R CA -0.378 55.685 56.100 -0.062 0.000 0.993 302 R CB 1.171 31.445 30.300 -0.043 0.000 1.084 302 R HN 0.262 nan 8.270 nan 0.000 0.487 303 S N 0.023 115.742 115.700 0.033 0.000 2.579 303 S HA -0.051 4.419 4.470 -0.000 0.000 0.275 303 S C 1.547 176.187 174.600 0.067 0.000 1.345 303 S CA -0.025 58.204 58.200 0.048 0.000 1.031 303 S CB 0.881 64.097 63.200 0.027 0.000 0.892 303 S HN 0.743 nan 8.310 nan 0.000 0.529 304 T N 0.668 115.259 114.554 0.061 0.000 2.995 304 T HA 0.022 4.372 4.350 -0.000 0.000 0.269 304 T C 1.232 175.936 174.700 0.006 0.000 1.091 304 T CA 1.225 63.347 62.100 0.037 0.000 1.128 304 T CB -0.322 68.558 68.868 0.020 0.000 0.891 304 T HN 0.765 nan 8.240 nan 0.000 0.492 305 E N 0.977 121.182 120.200 0.007 0.000 2.494 305 E HA 0.378 4.728 4.350 -0.000 0.000 0.193 305 E C 0.438 177.038 176.600 0.000 0.000 1.074 305 E CA 0.067 56.464 56.400 -0.006 0.000 0.867 305 E CB -0.074 29.623 29.700 -0.004 0.000 0.924 305 E HN 0.634 nan 8.360 nan 0.000 0.502 306 A N 1.737 124.560 122.820 0.005 0.000 3.411 306 A HA 0.247 4.567 4.320 -0.000 0.000 0.238 306 A C -2.795 174.783 177.584 -0.010 0.000 1.140 306 A CA -0.947 51.093 52.037 0.004 0.000 0.980 306 A CB 0.345 19.357 19.000 0.021 0.000 1.371 306 A HN 0.057 nan 8.150 nan 0.000 0.700 307 P HA 0.373 nan 4.420 nan 0.000 0.274 307 P C -0.203 177.023 177.300 -0.123 0.000 1.246 307 P CA -0.270 62.798 63.100 -0.054 0.000 0.795 307 P CB 1.194 32.846 31.700 -0.080 0.000 1.006 308 L N 2.244 123.356 121.223 -0.184 0.000 2.290 308 L HA 0.361 4.701 4.340 -0.000 0.000 0.284 308 L C -0.318 176.325 176.870 -0.378 0.000 1.078 308 L CA -0.069 54.577 54.840 -0.323 0.000 0.815 308 L CB -0.355 41.423 42.059 -0.469 0.000 1.162 308 L HN 0.182 nan 8.230 nan 0.000 0.435 309 I N 7.066 127.417 120.570 -0.365 0.000 2.347 309 I HA 0.261 4.431 4.170 -0.000 0.000 0.283 309 I C 0.027 175.902 176.117 -0.404 0.000 1.058 309 I CA -0.440 60.657 61.300 -0.339 0.000 1.202 309 I CB 0.389 38.241 38.000 -0.246 0.000 1.386 309 I HN 0.581 nan 8.210 nan 0.000 0.475 310 I N 5.844 126.125 120.570 -0.482 0.000 2.710 310 I HA 0.051 4.221 4.170 -0.000 0.000 0.286 310 I C 0.759 176.701 176.117 -0.293 0.000 1.181 310 I CA 0.479 61.492 61.300 -0.478 0.000 1.430 310 I CB 0.247 37.961 38.000 -0.476 0.000 1.367 310 I HN 0.593 nan 8.210 nan 0.000 0.577 311 R N 8.699 129.073 120.500 -0.210 0.000 2.575 311 R HA 0.392 4.732 4.340 -0.000 0.000 0.292 311 R C -2.803 173.458 176.300 -0.065 0.000 1.246 311 R CA -1.494 54.526 56.100 -0.133 0.000 0.973 311 R CB 1.808 32.040 30.300 -0.113 0.000 1.187 311 R HN 0.293 nan 8.270 nan 0.000 0.478 312 P HA 0.186 nan 4.420 nan 0.000 0.276 312 P C -0.697 176.600 177.300 -0.006 0.000 1.261 312 P CA 0.060 63.136 63.100 -0.040 0.000 0.800 312 P CB 1.217 32.877 31.700 -0.067 0.000 1.066 313 D N -1.954 118.458 120.400 0.020 0.000 2.530 313 D HA 0.081 4.720 4.640 -0.000 0.000 0.290 313 D C -0.577 175.753 176.300 0.050 0.000 1.398 313 D CA -0.026 54.000 54.000 0.044 0.000 0.848 313 D CB 0.206 41.040 40.800 0.057 0.000 1.279 313 D HN 0.367 nan 8.370 nan 0.000 0.483 314 S N -1.340 114.375 115.700 0.025 0.000 2.638 314 S HA 0.845 5.315 4.470 -0.000 0.000 0.274 314 S C 0.352 174.959 174.600 0.013 0.000 1.157 314 S CA -0.225 57.989 58.200 0.023 0.000 0.826 314 S CB 1.732 64.940 63.200 0.014 0.000 1.139 314 S HN 0.737 nan 8.310 nan 0.000 0.474 315 G N 1.262 110.079 108.800 0.029 0.000 2.746 315 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.685 315 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.685 315 G C -0.599 174.334 174.900 0.055 0.000 1.350 315 G CA -0.494 44.636 45.100 0.049 0.000 0.837 315 G HN 1.132 nan 8.290 nan 0.000 0.564 316 N N 1.864 120.605 118.700 0.068 0.000 2.417 316 N HA 0.072 4.811 4.740 -0.000 0.000 0.272 316 N C 0.030 175.578 175.510 0.063 0.000 1.304 316 N CA -0.496 52.590 53.050 0.061 0.000 0.906 316 N CB 1.026 39.552 38.487 0.064 0.000 1.135 316 N HN 0.293 nan 8.380 nan 0.000 0.483 317 P HA -0.214 nan 4.420 nan 0.000 0.217 317 P C 1.578 178.918 177.300 0.067 0.000 1.151 317 P CA 1.136 64.271 63.100 0.059 0.000 0.849 317 P CB 0.505 32.241 31.700 0.060 0.000 0.787 318 L N -0.425 120.835 121.223 0.062 0.000 2.121 318 L HA -0.028 4.312 4.340 -0.000 0.000 0.200 318 L C 2.106 179.016 176.870 0.066 0.000 1.077 318 L CA 1.497 56.375 54.840 0.063 0.000 0.766 318 L CB -0.670 41.421 42.059 0.053 0.000 0.931 318 L HN -0.199 nan 8.230 nan 0.000 0.452 319 D N -0.359 120.082 120.400 0.070 0.000 2.172 319 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 319 D C 1.971 178.335 176.300 0.108 0.000 0.999 319 D CA 1.925 55.971 54.000 0.078 0.000 0.856 319 D CB -0.296 40.550 40.800 0.076 0.000 0.934 319 D HN 0.374 nan 8.370 nan 0.000 0.453 320 T N 0.606 115.239 114.554 0.132 0.000 2.737 320 T HA -0.076 4.274 4.350 -0.000 0.000 0.265 320 T C 2.331 177.103 174.700 0.119 0.000 1.038 320 T CA 0.718 62.934 62.100 0.193 0.000 1.144 320 T CB -0.386 68.552 68.868 0.116 0.000 0.866 320 T HN -0.024 nan 8.240 nan 0.000 0.434 321 V N 1.784 121.716 119.914 0.030 0.000 2.332 321 V HA -0.160 3.959 4.120 -0.000 0.000 0.248 321 V C 2.497 178.523 176.094 -0.113 0.000 1.055 321 V CA 1.557 63.819 62.300 -0.065 0.000 1.038 321 V CB -0.736 31.042 31.823 -0.075 0.000 0.651 321 V HN 0.433 nan 8.190 nan 0.000 0.450 322 L N -0.500 120.701 121.223 -0.036 0.000 2.005 322 L HA -0.210 4.129 4.340 -0.000 0.000 0.207 322 L C 2.589 179.470 176.870 0.017 0.000 1.072 322 L CA 2.069 56.900 54.840 -0.015 0.000 0.744 322 L CB -0.709 41.408 42.059 0.097 0.000 0.895 322 L HN 0.269 nan 8.230 nan 0.000 0.433 323 K N 0.058 120.485 120.400 0.046 0.000 2.057 323 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 323 K C 2.065 178.719 176.600 0.090 0.000 1.049 323 K CA 1.234 57.531 56.287 0.017 0.000 0.931 323 K CB -0.035 32.368 32.500 -0.162 0.000 0.714 323 K HN 0.020 nan 8.250 nan 0.000 0.440 324 V N 1.564 121.571 119.914 0.155 0.000 2.252 324 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 324 V C 2.305 178.384 176.094 -0.024 0.000 1.056 324 V CA 1.876 64.246 62.300 0.116 0.000 1.022 324 V CB -0.334 31.503 31.823 0.022 0.000 0.641 324 V HN 0.328 nan 8.190 nan 0.000 0.445 325 L N -0.097 120.998 121.223 -0.213 0.000 2.046 325 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 325 L C 2.363 179.190 176.870 -0.071 0.000 1.077 325 L CA 2.165 56.724 54.840 -0.469 0.000 0.747 325 L CB -0.628 40.637 42.059 -1.324 0.000 0.896 325 L HN 0.440 nan 8.230 nan 0.000 0.432 326 D N 0.109 120.581 120.400 0.120 0.000 2.149 326 D HA -0.209 4.431 4.640 -0.000 0.000 0.198 326 D C 2.104 178.529 176.300 0.208 0.000 0.990 326 D CA 1.428 55.600 54.000 0.288 0.000 0.839 326 D CB 0.021 40.945 40.800 0.207 0.000 0.948 326 D HN 0.303 nan 8.370 nan 0.000 0.460 327 I N -0.139 120.523 120.570 0.153 0.000 2.163 327 I HA -0.212 3.957 4.170 -0.000 0.000 0.240 327 I C 2.415 178.658 176.117 0.209 0.000 1.081 327 I CA 0.609 62.009 61.300 0.167 0.000 1.353 327 I CB -0.263 37.851 38.000 0.190 0.000 1.054 327 I HN 0.099 nan 8.210 nan 0.000 0.407 328 L N 0.555 121.896 121.223 0.197 0.000 2.042 328 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 328 L C 2.651 179.726 176.870 0.341 0.000 1.076 328 L CA 1.653 56.655 54.840 0.270 0.000 0.749 328 L CB -1.216 40.893 42.059 0.082 0.000 0.893 328 L HN 0.344 nan 8.230 nan 0.000 0.432 329 G N -0.299 108.690 108.800 0.314 0.000 2.443 329 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 329 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 329 G C 1.656 176.707 174.900 0.251 0.000 1.131 329 G CA 0.309 45.625 45.100 0.360 0.000 0.775 329 G HN 0.310 nan 8.290 nan 0.000 0.547 330 K N -0.297 120.231 120.400 0.214 0.000 2.459 330 K HA 0.101 4.420 4.320 -0.000 0.000 0.193 330 K C 1.383 178.040 176.600 0.094 0.000 1.030 330 K CA 0.345 56.714 56.287 0.137 0.000 1.026 330 K CB 0.253 32.825 32.500 0.120 0.000 0.809 330 K HN 0.032 nan 8.250 nan 0.000 0.504 331 K N -0.421 120.052 120.400 0.122 0.000 2.438 331 K HA 0.217 4.537 4.320 -0.000 0.000 0.206 331 K C -0.491 175.863 176.600 -0.410 0.000 1.081 331 K CA 0.198 56.435 56.287 -0.082 0.000 1.053 331 K CB 0.784 33.277 32.500 -0.013 0.000 0.908 331 K HN -0.078 nan 8.250 nan 0.000 0.556 332 F N 1.538 121.562 119.950 0.123 0.000 2.601 332 F HA 0.294 4.821 4.527 -0.000 0.000 0.309 332 F C -2.209 173.655 175.800 0.107 0.000 1.089 332 F CA -2.441 55.639 58.000 0.133 0.000 0.940 332 F CB 1.900 40.985 39.000 0.142 0.000 1.273 332 F HN -0.220 nan 8.300 nan 0.000 0.450 333 P HA 0.051 nan 4.420 nan 0.000 0.257 333 P C -0.616 176.766 177.300 0.137 0.000 1.227 333 P CA 0.251 63.455 63.100 0.173 0.000 0.981 333 P CB 0.083 31.885 31.700 0.170 0.000 1.044 334 V N 1.996 121.987 119.914 0.128 0.000 2.509 334 V HA 0.555 4.674 4.120 -0.000 0.000 0.284 334 V C 0.630 176.760 176.094 0.060 0.000 1.047 334 V CA -0.602 61.766 62.300 0.113 0.000 0.952 334 V CB 0.997 32.908 31.823 0.147 0.000 0.988 334 V HN 0.572 nan 8.190 nan 0.000 0.469 335 S N 2.600 118.329 115.700 0.049 0.000 2.718 335 S HA 0.663 5.132 4.470 -0.000 0.000 0.292 335 S C -0.215 174.393 174.600 0.014 0.000 1.125 335 S CA -0.510 57.706 58.200 0.027 0.000 1.013 335 S CB 1.642 64.857 63.200 0.026 0.000 1.192 335 S HN 1.054 nan 8.310 nan 0.000 0.535 336 E N 0.872 121.075 120.200 0.006 0.000 2.580 336 E HA 0.198 4.548 4.350 -0.000 0.000 0.248 336 E C -0.527 176.083 176.600 0.017 0.000 1.018 336 E CA -0.576 55.821 56.400 -0.006 0.000 0.775 336 E CB 0.098 29.771 29.700 -0.044 0.000 1.378 336 E HN 0.797 nan 8.360 nan 0.000 0.401 337 N N 2.198 120.929 118.700 0.053 0.000 2.329 337 N HA -0.099 4.641 4.740 -0.000 0.000 0.237 337 N C 0.802 176.348 175.510 0.059 0.000 1.258 337 N CA 0.282 53.370 53.050 0.064 0.000 0.866 337 N CB 0.842 39.384 38.487 0.092 0.000 1.102 337 N HN 0.292 nan 8.380 nan 0.000 0.440 338 S N 1.849 117.578 115.700 0.049 0.000 2.425 338 S HA -0.269 4.201 4.470 -0.000 0.000 0.256 338 S C 1.415 176.045 174.600 0.050 0.000 1.101 338 S CA 1.472 59.696 58.200 0.040 0.000 1.188 338 S CB -0.407 62.817 63.200 0.039 0.000 1.085 338 S HN 0.640 nan 8.310 nan 0.000 0.439 339 K N 1.087 121.549 120.400 0.103 0.000 2.442 339 K HA 0.002 4.321 4.320 -0.000 0.000 0.199 339 K C 1.672 178.303 176.600 0.052 0.000 1.044 339 K CA 0.941 57.319 56.287 0.152 0.000 0.941 339 K CB -1.036 31.644 32.500 0.300 0.000 0.759 339 K HN 0.741 nan 8.250 nan 0.000 0.472 340 G N -0.001 108.794 108.800 -0.008 0.000 2.179 340 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 340 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 340 G C -0.330 174.381 174.900 -0.315 0.000 0.990 340 G CA -0.249 44.742 45.100 -0.183 0.000 0.646 340 G HN 0.235 nan 8.290 nan 0.000 0.517 341 Y N 1.233 121.525 120.300 -0.014 0.000 2.310 341 Y HA 0.567 5.117 4.550 -0.000 0.000 0.326 341 Y C 1.101 176.983 175.900 -0.030 0.000 1.151 341 Y CA -0.563 57.526 58.100 -0.018 0.000 1.195 341 Y CB 0.869 39.358 38.460 0.049 0.000 1.210 341 Y HN 0.048 nan 8.280 nan 0.000 0.483 342 K N 2.866 123.265 120.400 -0.002 0.000 2.382 342 K HA 0.338 4.657 4.320 -0.000 0.000 0.275 342 K C -1.175 175.545 176.600 0.199 0.000 1.009 342 K CA -0.236 56.012 56.287 -0.065 0.000 0.970 342 K CB 0.381 32.554 32.500 -0.545 0.000 0.934 342 K HN 0.403 nan 8.250 nan 0.000 0.479 343 L N 3.663 124.992 121.223 0.178 0.000 2.476 343 L HA 0.351 4.690 4.340 -0.000 0.000 0.269 343 L C -1.324 175.629 176.870 0.138 0.000 0.965 343 L CA -0.513 54.443 54.840 0.193 0.000 0.845 343 L CB 1.175 43.303 42.059 0.115 0.000 1.259 343 L HN 0.541 nan 8.230 nan 0.000 0.403 344 L N 5.731 127.030 121.223 0.126 0.000 2.473 344 L HA 0.373 4.712 4.340 -0.000 0.000 0.268 344 L C -1.692 175.101 176.870 -0.129 0.000 1.215 344 L CA -1.545 53.302 54.840 0.012 0.000 0.823 344 L CB -0.048 41.969 42.059 -0.070 0.000 1.099 344 L HN 0.540 nan 8.230 nan 0.000 0.483 345 P HA -0.008 nan 4.420 nan 0.000 0.267 345 P C -2.087 174.853 177.300 -0.599 0.000 1.200 345 P CA -1.207 61.602 63.100 -0.484 0.000 0.772 345 P CB -0.008 31.205 31.700 -0.812 0.000 0.855 346 P HA -0.177 nan 4.420 nan 0.000 0.221 346 P C 0.805 177.988 177.300 -0.196 0.000 1.141 346 P CA 1.771 64.737 63.100 -0.224 0.000 0.794 346 P CB -0.497 31.150 31.700 -0.088 0.000 0.764 347 Y N -2.191 118.060 120.300 -0.082 0.000 2.457 347 Y HA 0.570 5.119 4.550 -0.000 0.000 0.263 347 Y C 0.537 176.310 175.900 -0.212 0.000 1.164 347 Y CA -1.300 56.728 58.100 -0.119 0.000 1.274 347 Y CB -0.503 37.906 38.460 -0.086 0.000 1.097 347 Y HN -0.225 nan 8.280 nan 0.000 0.523 348 L N 2.378 123.410 121.223 -0.319 0.000 2.415 348 L HA 0.620 4.960 4.340 -0.000 0.000 0.268 348 L C -1.219 175.463 176.870 -0.313 0.000 0.984 348 L CA -1.042 53.593 54.840 -0.342 0.000 0.853 348 L CB 0.960 42.710 42.059 -0.515 0.000 1.215 348 L HN 0.036 nan 8.230 nan 0.000 0.419 349 R N 2.999 123.327 120.500 -0.287 0.000 2.912 349 R HA 0.789 5.129 4.340 -0.000 0.000 0.262 349 R C -1.462 174.668 176.300 -0.283 0.000 1.057 349 R CA -0.904 55.045 56.100 -0.252 0.000 0.981 349 R CB 2.340 32.523 30.300 -0.195 0.000 1.201 349 R HN 0.348 nan 8.270 nan 0.000 0.484 350 V N 1.786 121.538 119.914 -0.270 0.000 2.604 350 V HA 0.481 4.601 4.120 -0.000 0.000 0.305 350 V C -0.606 175.313 176.094 -0.292 0.000 1.043 350 V CA -0.886 61.241 62.300 -0.287 0.000 0.888 350 V CB 2.112 33.753 31.823 -0.304 0.000 0.995 350 V HN 0.614 nan 8.190 nan 0.000 0.429 351 I N 3.813 124.227 120.570 -0.261 0.000 2.411 351 I HA 0.493 4.663 4.170 -0.000 0.000 0.284 351 I C -0.314 175.666 176.117 -0.229 0.000 1.012 351 I CA -0.304 60.851 61.300 -0.242 0.000 1.119 351 I CB 1.689 39.608 38.000 -0.135 0.000 1.261 351 I HN 0.687 nan 8.210 nan 0.000 0.448 352 Q N 5.589 125.175 119.800 -0.357 0.000 2.472 352 Q HA 0.485 4.825 4.340 -0.000 0.000 0.227 352 Q C 0.418 176.354 176.000 -0.108 0.000 1.156 352 Q CA 0.054 55.708 55.803 -0.249 0.000 0.924 352 Q CB 0.833 29.334 28.738 -0.396 0.000 1.354 352 Q HN 0.775 nan 8.270 nan 0.000 0.525 353 G N 2.954 111.750 108.800 -0.006 0.000 3.707 353 G HA2 0.192 4.152 3.960 -0.000 0.000 0.286 353 G HA3 0.192 4.152 3.960 -0.000 0.000 0.286 353 G C -0.713 174.251 174.900 0.108 0.000 1.112 353 G CA -0.247 44.885 45.100 0.052 0.000 0.861 353 G HN 0.600 nan 8.290 nan 0.000 0.534 354 D N -1.746 118.689 120.400 0.059 0.000 2.990 354 D HA 0.454 5.094 4.640 -0.000 0.000 0.227 354 D C 0.835 177.161 176.300 0.043 0.000 1.249 354 D CA 0.308 54.344 54.000 0.059 0.000 0.891 354 D CB 1.087 41.921 40.800 0.057 0.000 1.647 354 D HN 0.272 nan 8.370 nan 0.000 0.530 355 G N 1.702 110.522 108.800 0.033 0.000 2.143 355 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.248 355 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.248 355 G C -0.072 174.835 174.900 0.011 0.000 0.991 355 G CA 0.245 45.359 45.100 0.023 0.000 0.689 355 G HN 0.618 nan 8.290 nan 0.000 0.522 356 V N 1.780 121.694 119.914 -0.001 0.000 2.370 356 V HA 0.658 4.778 4.120 -0.000 0.000 0.279 356 V C 0.101 176.146 176.094 -0.080 0.000 1.029 356 V CA 0.118 62.397 62.300 -0.035 0.000 0.870 356 V CB 1.535 33.360 31.823 0.003 0.000 0.984 356 V HN 0.620 nan 8.190 nan 0.000 0.451 357 D N 2.928 123.271 120.400 -0.094 0.000 2.652 357 D HA 0.282 4.921 4.640 -0.000 0.000 0.285 357 D C 0.881 177.116 176.300 -0.108 0.000 1.173 357 D CA -0.854 53.093 54.000 -0.088 0.000 0.981 357 D CB 1.277 42.051 40.800 -0.043 0.000 1.440 357 D HN 0.303 nan 8.370 nan 0.000 0.485 358 I N 0.064 120.591 120.570 -0.071 0.000 2.208 358 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 358 I C 1.233 177.298 176.117 -0.086 0.000 1.097 358 I CA 1.433 62.693 61.300 -0.067 0.000 1.363 358 I CB -0.137 37.872 38.000 0.014 0.000 1.051 358 I HN 0.267 nan 8.210 nan 0.000 0.413 359 N N 0.484 119.144 118.700 -0.065 0.000 2.022 359 N HA -0.163 4.577 4.740 -0.000 0.000 0.195 359 N C 1.758 177.214 175.510 -0.090 0.000 1.063 359 N CA 2.406 55.416 53.050 -0.068 0.000 0.851 359 N CB -1.090 37.371 38.487 -0.045 0.000 1.050 359 N HN 0.345 nan 8.380 nan 0.000 0.425 360 T N 2.656 117.162 114.554 -0.079 0.000 2.685 360 T HA -0.177 4.172 4.350 -0.000 0.000 0.268 360 T C 2.048 176.656 174.700 -0.153 0.000 1.034 360 T CA 0.980 63.031 62.100 -0.082 0.000 1.149 360 T CB -0.591 68.246 68.868 -0.050 0.000 0.860 360 T HN 0.099 nan 8.240 nan 0.000 0.449 361 L N 1.335 122.419 121.223 -0.232 0.000 1.978 361 L HA -0.210 4.130 4.340 -0.000 0.000 0.218 361 L C 2.592 179.221 176.870 -0.401 0.000 1.075 361 L CA 2.093 56.667 54.840 -0.444 0.000 0.767 361 L CB -0.867 40.922 42.059 -0.449 0.000 0.890 361 L HN 0.182 nan 8.230 nan 0.000 0.434 362 Q N -0.540 119.093 119.800 -0.277 0.000 2.297 362 Q HA -0.225 4.115 4.340 -0.000 0.000 0.208 362 Q C 1.985 177.851 176.000 -0.222 0.000 0.981 362 Q CA 1.930 57.583 55.803 -0.251 0.000 0.876 362 Q CB -0.065 28.590 28.738 -0.139 0.000 0.921 362 Q HN 0.692 nan 8.270 nan 0.000 0.446 363 E N -0.897 119.208 120.200 -0.159 0.000 2.102 363 E HA 0.009 4.359 4.350 -0.000 0.000 0.190 363 E C 1.706 178.258 176.600 -0.080 0.000 0.971 363 E CA 0.749 57.094 56.400 -0.091 0.000 0.821 363 E CB 0.061 29.731 29.700 -0.049 0.000 0.777 363 E HN 0.387 nan 8.360 nan 0.000 0.460 364 I N 0.356 120.874 120.570 -0.087 0.000 2.072 364 I HA -0.272 3.897 4.170 -0.000 0.000 0.235 364 I C 2.303 178.405 176.117 -0.025 0.000 1.058 364 I CA 0.778 62.077 61.300 -0.001 0.000 1.320 364 I CB -0.450 37.614 38.000 0.107 0.000 1.047 364 I HN -0.024 nan 8.210 nan 0.000 0.397 365 V N 0.791 120.622 119.914 -0.138 0.000 2.277 365 V HA -0.344 3.775 4.120 -0.000 0.000 0.253 365 V C 2.659 178.563 176.094 -0.315 0.000 1.067 365 V CA 2.138 64.300 62.300 -0.230 0.000 1.047 365 V CB -0.631 30.889 31.823 -0.505 0.000 0.649 365 V HN 0.466 nan 8.190 nan 0.000 0.447 366 E N 0.105 120.051 120.200 -0.423 0.000 2.072 366 E HA -0.141 4.208 4.350 -0.000 0.000 0.191 366 E C 2.287 178.933 176.600 0.077 0.000 0.985 366 E CA 1.473 57.794 56.400 -0.131 0.000 0.801 366 E CB -0.591 29.068 29.700 -0.069 0.000 0.750 366 E HN 0.606 nan 8.360 nan 0.000 0.452 367 G N 0.366 109.191 108.800 0.042 0.000 2.422 367 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 367 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 367 G C 1.698 176.697 174.900 0.164 0.000 1.140 367 G CA 0.638 45.798 45.100 0.099 0.000 0.775 367 G HN 0.197 nan 8.290 nan 0.000 0.545 368 M N -0.083 119.620 119.600 0.171 0.000 2.175 368 M HA 0.020 4.500 4.480 -0.000 0.000 0.264 368 M C 2.477 178.987 176.300 0.350 0.000 1.063 368 M CA 1.256 56.724 55.300 0.280 0.000 1.119 368 M CB -0.231 32.504 32.600 0.225 0.000 1.377 368 M HN 0.159 nan 8.290 nan 0.000 0.415 369 K N 0.672 121.247 120.400 0.292 0.000 1.985 369 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 369 K C 1.957 178.755 176.600 0.330 0.000 1.047 369 K CA 1.587 58.088 56.287 0.357 0.000 0.932 369 K CB -0.062 32.652 32.500 0.358 0.000 0.716 369 K HN 0.363 nan 8.250 nan 0.000 0.439 370 Q N 0.073 120.016 119.800 0.239 0.000 2.248 370 Q HA -0.148 4.191 4.340 -0.000 0.000 0.208 370 Q C 1.059 177.144 176.000 0.141 0.000 0.984 370 Q CA 1.053 56.956 55.803 0.167 0.000 0.875 370 Q CB 0.062 28.880 28.738 0.132 0.000 0.910 370 Q HN 0.076 nan 8.270 nan 0.000 0.433 371 K N 0.658 121.171 120.400 0.188 0.000 2.469 371 K HA 0.089 4.409 4.320 -0.000 0.000 0.201 371 K C -0.290 176.325 176.600 0.024 0.000 1.028 371 K CA 0.027 56.406 56.287 0.154 0.000 1.170 371 K CB 0.363 33.042 32.500 0.298 0.000 0.874 371 K HN 0.154 nan 8.250 nan 0.000 0.507 372 K N -0.282 120.164 120.400 0.077 0.000 3.096 372 K HA -0.197 4.123 4.320 -0.000 0.000 0.266 372 K C -0.936 175.651 176.600 -0.021 0.000 1.043 372 K CA 0.640 56.910 56.287 -0.029 0.000 0.758 372 K CB -1.439 30.897 32.500 -0.273 0.000 1.260 372 K HN 0.215 nan 8.250 nan 0.000 0.481 373 W N 0.179 121.668 121.300 0.315 0.000 2.702 373 W HA 0.311 4.971 4.660 -0.001 0.000 0.331 373 W C 0.511 177.140 176.519 0.184 0.000 1.049 373 W CA -0.879 56.593 57.345 0.211 0.000 1.230 373 W CB 1.881 31.414 29.460 0.121 0.000 1.408 373 W HN -0.005 nan 8.180 nan 0.000 0.492 374 S N 3.448 119.428 115.700 0.466 0.000 2.528 374 S HA 0.123 4.592 4.470 -0.000 0.000 0.277 374 S C 1.179 175.871 174.600 0.153 0.000 1.297 374 S CA -0.566 57.764 58.200 0.217 0.000 1.052 374 S CB 0.342 63.664 63.200 0.203 0.000 0.917 374 S HN 0.432 nan 8.310 nan 0.000 0.492 375 I N 4.490 125.108 120.570 0.081 0.000 3.010 375 I HA -0.097 4.073 4.170 -0.000 0.000 0.271 375 I C 1.928 178.092 176.117 0.079 0.000 1.293 375 I CA 1.095 62.457 61.300 0.103 0.000 1.452 375 I CB -1.475 36.595 38.000 0.117 0.000 1.082 375 I HN 0.757 nan 8.210 nan 0.000 0.484 376 E N 0.884 121.124 120.200 0.067 0.000 2.072 376 E HA -0.167 4.182 4.350 -0.000 0.000 0.191 376 E C 1.834 178.439 176.600 0.007 0.000 0.985 376 E CA 0.790 57.217 56.400 0.045 0.000 0.801 376 E CB -0.020 29.710 29.700 0.051 0.000 0.750 376 E HN 0.537 nan 8.360 nan 0.000 0.452 377 N N 0.641 119.346 118.700 0.008 0.000 2.061 377 N HA -0.111 4.628 4.740 -0.000 0.000 0.193 377 N C 0.715 176.135 175.510 -0.150 0.000 1.030 377 N CA 0.864 53.872 53.050 -0.071 0.000 0.856 377 N CB -0.129 38.309 38.487 -0.082 0.000 1.023 377 N HN -0.025 nan 8.380 nan 0.000 0.424 378 V N 0.719 120.536 119.914 -0.162 0.000 2.837 378 V HA 0.382 4.501 4.120 -0.000 0.000 0.310 378 V C 0.175 176.114 176.094 -0.258 0.000 1.059 378 V CA -0.673 61.447 62.300 -0.300 0.000 1.004 378 V CB 1.748 33.289 31.823 -0.470 0.000 1.045 378 V HN 0.313 nan 8.190 nan 0.000 0.465 379 S N 1.981 117.449 115.700 -0.388 0.000 2.575 379 S HA 0.774 5.244 4.470 -0.000 0.000 0.278 379 S C -1.150 173.202 174.600 -0.414 0.000 1.139 379 S CA -0.637 57.444 58.200 -0.199 0.000 0.954 379 S CB 1.171 64.333 63.200 -0.063 0.000 1.054 379 S HN 0.275 nan 8.310 nan 0.000 0.483 380 F N 1.168 121.067 119.950 -0.086 0.000 2.411 380 F HA 0.831 5.357 4.527 -0.000 0.000 0.324 380 F C 1.168 176.787 175.800 -0.301 0.000 1.086 380 F CA -0.237 57.663 58.000 -0.167 0.000 1.028 380 F CB 1.602 40.503 39.000 -0.165 0.000 1.284 380 F HN 0.959 nan 8.300 nan 0.000 0.501 381 G N 0.230 108.887 108.800 -0.239 0.000 2.733 381 G HA2 0.481 4.440 3.960 -0.000 0.000 0.289 381 G HA3 0.481 4.440 3.960 -0.000 0.000 0.289 381 G C -1.770 172.806 174.900 -0.540 0.000 1.473 381 G CA -0.554 44.053 45.100 -0.821 0.000 1.123 381 G HN 0.653 nan 8.290 nan 0.000 0.544 382 S N 0.681 116.091 115.700 -0.483 0.000 2.568 382 S HA 0.871 5.340 4.470 -0.000 0.000 0.293 382 S C 0.748 175.266 174.600 -0.138 0.000 1.089 382 S CA 0.311 58.369 58.200 -0.236 0.000 0.945 382 S CB 1.848 64.913 63.200 -0.225 0.000 1.077 382 S HN 1.200 nan 8.310 nan 0.000 0.485 383 G N 2.109 110.901 108.800 -0.013 0.000 2.467 383 G HA2 0.331 4.291 3.960 -0.000 0.000 0.178 383 G HA3 0.331 4.291 3.960 -0.000 0.000 0.178 383 G C 1.190 176.115 174.900 0.041 0.000 1.461 383 G CA 0.562 45.703 45.100 0.069 0.000 0.675 383 G HN 0.982 nan 8.290 nan 0.000 0.659 384 G N 1.414 110.243 108.800 0.048 0.000 2.491 384 G HA2 0.038 3.997 3.960 -0.000 0.000 0.218 384 G HA3 0.038 3.997 3.960 -0.000 0.000 0.218 384 G C 2.044 176.965 174.900 0.035 0.000 1.180 384 G CA 2.164 47.293 45.100 0.048 0.000 0.774 384 G HN 0.872 nan 8.290 nan 0.000 0.562 385 A N 0.244 123.069 122.820 0.009 0.000 1.933 385 A HA 0.111 4.431 4.320 -0.000 0.000 0.218 385 A C 2.355 179.919 177.584 -0.034 0.000 1.175 385 A CA 1.386 53.421 52.037 -0.002 0.000 0.628 385 A CB -0.412 18.576 19.000 -0.020 0.000 0.814 385 A HN 0.365 nan 8.150 nan 0.000 0.444 386 L N -0.679 120.492 121.223 -0.087 0.000 1.994 386 L HA -0.135 4.204 4.340 -0.000 0.000 0.208 386 L C 2.247 179.038 176.870 -0.132 0.000 1.071 386 L CA 2.011 56.748 54.840 -0.173 0.000 0.745 386 L CB -0.343 41.542 42.059 -0.290 0.000 0.892 386 L HN 0.456 nan 8.230 nan 0.000 0.431 387 L N -1.628 119.568 121.223 -0.045 0.000 2.362 387 L HA 0.054 4.394 4.340 -0.000 0.000 0.204 387 L C 1.214 178.209 176.870 0.208 0.000 1.060 387 L CA -0.101 54.763 54.840 0.040 0.000 0.827 387 L CB -0.100 42.006 42.059 0.078 0.000 1.027 387 L HN 0.264 nan 8.230 nan 0.000 0.474 388 Q N -0.303 119.589 119.800 0.154 0.000 2.293 388 Q HA 0.230 4.569 4.340 -0.000 0.000 0.216 388 Q C 0.089 176.179 176.000 0.150 0.000 1.003 388 Q CA -0.414 55.495 55.803 0.176 0.000 0.995 388 Q CB 0.923 29.728 28.738 0.111 0.000 1.172 388 Q HN -0.111 nan 8.270 nan 0.000 0.518 389 K N -0.618 119.869 120.400 0.146 0.000 3.423 389 K HA -0.137 4.183 4.320 -0.000 0.000 0.306 389 K C -1.486 175.204 176.600 0.149 0.000 1.331 389 K CA 0.485 56.843 56.287 0.117 0.000 0.905 389 K CB -1.476 31.069 32.500 0.076 0.000 1.332 389 K HN 0.457 nan 8.250 nan 0.000 0.473 390 L N 0.281 121.652 121.223 0.247 0.000 2.354 390 L HA 0.563 4.903 4.340 -0.000 0.000 0.269 390 L C 0.670 177.782 176.870 0.403 0.000 1.005 390 L CA -0.273 54.752 54.840 0.309 0.000 0.819 390 L CB 1.914 44.176 42.059 0.339 0.000 1.311 390 L HN 0.216 nan 8.230 nan 0.000 0.423 391 T N -2.392 112.271 114.554 0.183 0.000 2.901 391 T HA 0.408 4.758 4.350 -0.000 0.000 0.293 391 T C 0.653 174.937 174.700 -0.692 0.000 1.084 391 T CA -0.824 61.094 62.100 -0.304 0.000 1.008 391 T CB 1.535 70.282 68.868 -0.201 0.000 1.170 391 T HN 0.574 nan 8.240 nan 0.000 0.509 392 R N 0.106 119.754 120.500 -1.420 0.000 2.293 392 R HA -0.084 4.256 4.340 -0.000 0.000 0.219 392 R C 0.766 176.851 176.300 -0.360 0.000 1.091 392 R CA 1.437 56.904 56.100 -1.056 0.000 1.004 392 R CB -0.361 29.259 30.300 -1.135 0.000 0.865 392 R HN 0.670 nan 8.270 nan 0.000 0.469 393 D N 0.739 120.966 120.400 -0.288 0.000 2.103 393 D HA -0.181 4.459 4.640 -0.000 0.000 0.199 393 D C 1.875 178.157 176.300 -0.030 0.000 0.978 393 D CA 0.569 54.493 54.000 -0.126 0.000 0.829 393 D CB -0.365 40.373 40.800 -0.102 0.000 0.981 393 D HN 0.139 nan 8.370 nan 0.000 0.464 394 L N 1.274 122.504 121.223 0.012 0.000 1.987 394 L HA -0.204 4.136 4.340 -0.000 0.000 0.230 394 L C 1.933 178.879 176.870 0.126 0.000 1.089 394 L CA 1.780 56.682 54.840 0.104 0.000 0.802 394 L CB -0.852 41.290 42.059 0.138 0.000 0.905 394 L HN 0.034 nan 8.230 nan 0.000 0.441 395 L N -0.261 121.020 121.223 0.096 0.000 2.627 395 L HA 0.059 4.399 4.340 -0.000 0.000 0.232 395 L C 0.596 177.502 176.870 0.060 0.000 1.150 395 L CA 0.232 55.126 54.840 0.090 0.000 0.917 395 L CB -0.842 41.258 42.059 0.070 0.000 1.104 395 L HN 0.511 nan 8.230 nan 0.000 0.445 396 N N -0.230 118.489 118.700 0.031 0.000 2.727 396 N HA -0.180 4.559 4.740 -0.000 0.000 0.249 396 N C -0.015 175.462 175.510 -0.056 0.000 1.048 396 N CA -0.042 53.000 53.050 -0.013 0.000 0.714 396 N CB -0.917 37.568 38.487 -0.003 0.000 0.959 396 N HN 0.362 nan 8.380 nan 0.000 0.544 397 C N 0.759 120.042 119.300 -0.029 0.000 2.648 397 C HA 0.369 4.829 4.460 -0.000 0.000 0.415 397 C C 1.093 175.962 174.990 -0.201 0.000 1.366 397 C CA -0.038 58.913 59.018 -0.112 0.000 1.756 397 C CB 0.499 28.403 27.740 0.272 0.000 2.549 397 C HN 0.400 nan 8.230 nan 0.000 0.597 398 S N 2.416 117.827 115.700 -0.482 0.000 2.541 398 S HA 0.717 5.187 4.470 -0.000 0.000 0.271 398 S C -1.315 173.054 174.600 -0.385 0.000 1.133 398 S CA -0.463 57.568 58.200 -0.281 0.000 0.876 398 S CB 1.033 64.121 63.200 -0.185 0.000 1.105 398 S HN 0.629 nan 8.310 nan 0.000 0.470 399 F N 4.456 124.259 119.950 -0.245 0.000 2.460 399 F HA 0.699 5.226 4.527 -0.000 0.000 0.341 399 F C -0.376 175.266 175.800 -0.264 0.000 1.130 399 F CA -0.379 57.493 58.000 -0.213 0.000 0.962 399 F CB 0.794 39.888 39.000 0.156 0.000 1.171 399 F HN 0.451 nan 8.300 nan 0.000 0.436 400 K N 4.941 124.941 120.400 -0.666 0.000 2.480 400 K HA 0.402 4.722 4.320 -0.000 0.000 0.258 400 K C -1.586 174.745 176.600 -0.448 0.000 0.990 400 K CA -0.730 55.341 56.287 -0.361 0.000 0.857 400 K CB 2.178 34.515 32.500 -0.272 0.000 1.384 400 K HN 0.751 nan 8.250 nan 0.000 0.446 401 C N 1.504 120.753 119.300 -0.085 0.000 2.388 401 C HA 0.427 4.887 4.460 -0.000 0.000 0.362 401 C C 1.449 176.533 174.990 0.157 0.000 1.266 401 C CA 0.158 59.188 59.018 0.021 0.000 2.028 401 C CB -0.411 27.418 27.740 0.149 0.000 2.440 401 C HN 0.836 nan 8.230 nan 0.000 0.547 402 S N 2.896 118.738 115.700 0.237 0.000 2.728 402 S HA 0.251 4.721 4.470 -0.000 0.000 0.257 402 S C -0.452 174.410 174.600 0.437 0.000 1.060 402 S CA -0.165 58.235 58.200 0.333 0.000 1.126 402 S CB 0.067 63.460 63.200 0.320 0.000 1.099 402 S HN 0.980 nan 8.310 nan 0.000 0.617 403 Y N 0.432 120.928 120.300 0.326 0.000 2.482 403 Y HA 0.674 5.224 4.550 -0.001 0.000 0.334 403 Y C -1.821 174.225 175.900 0.244 0.000 1.091 403 Y CA -1.039 57.235 58.100 0.289 0.000 1.027 403 Y CB 1.811 40.464 38.460 0.323 0.000 1.306 403 Y HN 0.045 nan 8.280 nan 0.000 0.446 404 V N 5.407 125.082 119.914 -0.399 0.000 3.048 404 V HA 0.535 4.655 4.120 -0.000 0.000 0.303 404 V C -1.408 174.378 176.094 -0.513 0.000 1.214 404 V CA -0.977 61.110 62.300 -0.356 0.000 0.984 404 V CB 2.310 34.090 31.823 -0.072 0.000 1.054 404 V HN 0.576 nan 8.190 nan 0.000 0.430 405 V N 2.633 122.321 119.914 -0.376 0.000 2.357 405 V HA 0.558 4.678 4.120 -0.000 0.000 0.284 405 V C 0.024 176.031 176.094 -0.145 0.000 1.018 405 V CA -0.179 61.965 62.300 -0.260 0.000 0.841 405 V CB 1.754 33.453 31.823 -0.207 0.000 0.991 405 V HN 0.955 nan 8.190 nan 0.000 0.437 406 T N 4.740 119.233 114.554 -0.101 0.000 2.812 406 T HA 0.371 4.721 4.350 -0.000 0.000 0.282 406 T C 0.149 174.817 174.700 -0.053 0.000 0.990 406 T CA -0.429 61.628 62.100 -0.072 0.000 0.960 406 T CB 0.642 69.485 68.868 -0.042 0.000 0.948 406 T HN 0.749 nan 8.240 nan 0.000 0.438 407 N N 2.065 120.732 118.700 -0.055 0.000 2.714 407 N HA -0.190 4.550 4.740 -0.000 0.000 0.253 407 N C 1.040 176.532 175.510 -0.030 0.000 1.024 407 N CA 1.249 54.276 53.050 -0.038 0.000 0.726 407 N CB -1.425 37.046 38.487 -0.026 0.000 0.908 407 N HN 1.293 nan 8.380 nan 0.000 0.542 408 G N -1.139 107.639 108.800 -0.036 0.000 2.269 408 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.277 408 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.277 408 G C 0.075 174.967 174.900 -0.013 0.000 1.008 408 G CA 1.001 46.087 45.100 -0.023 0.000 0.774 408 G HN 0.926 nan 8.290 nan 0.000 0.511 409 L N -1.754 119.456 121.223 -0.021 0.000 2.349 409 L HA 0.892 5.232 4.340 -0.000 0.000 0.278 409 L C 0.314 177.175 176.870 -0.015 0.000 0.996 409 L CA -0.450 54.389 54.840 -0.002 0.000 0.825 409 L CB 1.695 43.755 42.059 0.003 0.000 1.243 409 L HN 0.293 nan 8.230 nan 0.000 0.412 410 G N 3.296 112.120 108.800 0.040 0.000 2.355 410 G HA2 0.517 4.477 3.960 -0.000 0.000 0.276 410 G HA3 0.517 4.477 3.960 -0.000 0.000 0.276 410 G C -0.449 174.538 174.900 0.146 0.000 1.198 410 G CA -0.023 45.114 45.100 0.061 0.000 0.876 410 G HN 1.199 nan 8.290 nan 0.000 0.478 411 V N 0.854 120.804 119.914 0.061 0.000 2.604 411 V HA 0.567 4.687 4.120 -0.000 0.000 0.305 411 V C -0.757 175.488 176.094 0.251 0.000 1.043 411 V CA -1.606 60.776 62.300 0.135 0.000 0.888 411 V CB 1.989 33.858 31.823 0.077 0.000 0.995 411 V HN 0.514 nan 8.190 nan 0.000 0.429 412 N N 3.762 122.596 118.700 0.224 0.000 2.408 412 N HA 0.466 5.206 4.740 -0.000 0.000 0.257 412 N C -0.372 175.258 175.510 0.200 0.000 1.064 412 N CA -0.042 53.139 53.050 0.219 0.000 0.952 412 N CB 1.558 40.085 38.487 0.066 0.000 1.093 412 N HN 0.673 nan 8.380 nan 0.000 0.490 413 V N 3.632 123.715 119.914 0.282 0.000 2.837 413 V HA 0.704 4.823 4.120 -0.000 0.000 0.310 413 V C -0.181 176.216 176.094 0.506 0.000 1.059 413 V CA -0.418 62.099 62.300 0.360 0.000 1.004 413 V CB 0.712 32.697 31.823 0.270 0.000 1.045 413 V HN 0.679 nan 8.190 nan 0.000 0.465 414 F N 1.276 121.287 119.950 0.101 0.000 2.793 414 F HA 0.567 5.093 4.527 -0.000 0.000 0.316 414 F C -1.302 174.539 175.800 0.069 0.000 1.147 414 F CA -1.502 56.553 58.000 0.092 0.000 0.930 414 F CB 1.361 40.410 39.000 0.081 0.000 1.277 414 F HN 0.466 nan 8.300 nan 0.000 0.443 415 K N 1.023 121.298 120.400 -0.208 0.000 2.270 415 K HA 0.551 4.871 4.320 -0.000 0.000 0.255 415 K C -1.795 174.628 176.600 -0.296 0.000 0.936 415 K CA -0.745 55.350 56.287 -0.321 0.000 0.809 415 K CB 2.391 34.822 32.500 -0.115 0.000 1.131 415 K HN 0.668 nan 8.250 nan 0.000 0.427 416 D N 3.766 123.963 120.400 -0.338 0.000 2.656 416 D HA 0.202 4.842 4.640 -0.000 0.000 0.303 416 D C -2.200 174.041 176.300 -0.099 0.000 1.199 416 D CA -1.392 52.515 54.000 -0.154 0.000 0.797 416 D CB 0.900 41.625 40.800 -0.126 0.000 1.170 416 D HN 0.510 nan 8.370 nan 0.000 0.509 417 P HA 0.036 nan 4.420 nan 0.000 0.266 417 P C 0.173 177.457 177.300 -0.027 0.000 1.195 417 P CA -0.257 62.814 63.100 -0.049 0.000 0.768 417 P CB 1.356 33.033 31.700 -0.037 0.000 0.838 418 V N 1.756 121.656 119.914 -0.023 0.000 2.904 418 V HA 0.432 4.552 4.120 -0.000 0.000 0.305 418 V C 1.240 177.328 176.094 -0.010 0.000 1.067 418 V CA 0.666 62.960 62.300 -0.011 0.000 1.044 418 V CB 0.323 32.140 31.823 -0.010 0.000 1.050 418 V HN 0.939 nan 8.190 nan 0.000 0.475 419 A N 2.169 124.986 122.820 -0.005 0.000 3.201 419 A HA -0.154 4.165 4.320 -0.000 0.000 0.260 419 A C 0.400 177.981 177.584 -0.005 0.000 1.222 419 A CA 1.101 53.135 52.037 -0.005 0.000 1.124 419 A CB -1.820 17.176 19.000 -0.008 0.000 1.155 419 A HN 1.141 nan 8.150 nan 0.000 0.924 420 D N -2.367 118.031 120.400 -0.003 0.000 3.816 420 D HA 0.164 4.804 4.640 -0.000 0.000 0.228 420 D C -1.656 174.646 176.300 0.002 0.000 1.508 420 D CA 0.424 54.423 54.000 -0.002 0.000 1.093 420 D CB 0.349 41.145 40.800 -0.005 0.000 1.326 420 D HN 0.124 nan 8.370 nan 0.000 0.787 421 P HA -0.086 nan 4.420 nan 0.000 0.236 421 P C 0.974 178.288 177.300 0.023 0.000 1.172 421 P CA 0.374 63.485 63.100 0.018 0.000 0.759 421 P CB 0.306 32.019 31.700 0.021 0.000 0.843 422 N N 0.728 119.438 118.700 0.016 0.000 2.457 422 N HA -0.080 4.660 4.740 -0.000 0.000 0.180 422 N C 1.407 176.928 175.510 0.019 0.000 1.050 422 N CA 0.555 53.615 53.050 0.018 0.000 0.906 422 N CB -0.078 38.416 38.487 0.012 0.000 0.968 422 N HN 0.151 nan 8.380 nan 0.000 0.445 423 K N 0.766 121.175 120.400 0.014 0.000 2.417 423 K HA 0.078 4.398 4.320 -0.000 0.000 0.196 423 K C 0.460 177.076 176.600 0.027 0.000 1.023 423 K CA -0.407 55.888 56.287 0.012 0.000 1.122 423 K CB 0.298 32.797 32.500 -0.001 0.000 0.850 423 K HN 0.050 nan 8.250 nan 0.000 0.521 424 R N 0.423 120.949 120.500 0.044 0.000 2.802 424 R HA -0.057 4.283 4.340 -0.000 0.000 0.264 424 R C -0.612 175.760 176.300 0.120 0.000 0.996 424 R CA 0.615 56.763 56.100 0.080 0.000 1.123 424 R CB 0.487 30.848 30.300 0.101 0.000 0.996 424 R HN -0.009 nan 8.270 nan 0.000 0.444 425 S N 1.043 116.859 115.700 0.192 0.000 2.521 425 S HA 0.329 4.799 4.470 -0.000 0.000 0.295 425 S C -0.967 173.808 174.600 0.292 0.000 1.098 425 S CA -0.968 57.388 58.200 0.259 0.000 0.999 425 S CB 0.946 64.288 63.200 0.237 0.000 1.034 425 S HN 0.528 nan 8.310 nan 0.000 0.483 426 K N 2.480 123.003 120.400 0.205 0.000 2.344 426 K HA 0.161 4.481 4.320 -0.000 0.000 0.260 426 K C -0.096 176.559 176.600 0.092 0.000 0.988 426 K CA 0.048 56.332 56.287 -0.004 0.000 0.909 426 K CB 0.236 32.505 32.500 -0.385 0.000 0.968 426 K HN 0.659 nan 8.250 nan 0.000 0.505 427 K N -0.379 120.014 120.400 -0.011 0.000 2.371 427 K HA 0.593 4.912 4.320 -0.000 0.000 0.251 427 K C -0.076 176.529 176.600 0.008 0.000 0.934 427 K CA -0.751 55.542 56.287 0.010 0.000 0.798 427 K CB 1.843 34.221 32.500 -0.204 0.000 1.204 427 K HN 0.722 nan 8.250 nan 0.000 0.427 428 G N 1.741 110.610 108.800 0.115 0.000 2.782 428 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.228 428 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.228 428 G C -1.010 173.938 174.900 0.080 0.000 1.372 428 G CA -0.781 44.360 45.100 0.068 0.000 0.862 428 G HN 0.739 nan 8.290 nan 0.000 0.547 429 R N -0.628 119.747 120.500 -0.207 0.000 2.522 429 R HA 0.407 4.747 4.340 -0.000 0.000 0.284 429 R C 0.670 176.981 176.300 0.019 0.000 1.032 429 R CA 0.160 56.173 56.100 -0.146 0.000 1.049 429 R CB 0.123 30.095 30.300 -0.547 0.000 0.956 429 R HN 0.442 nan 8.270 nan 0.000 0.422 430 L N 1.249 122.581 121.223 0.183 0.000 2.313 430 L HA 0.603 4.943 4.340 -0.000 0.000 0.268 430 L C -0.056 176.849 176.870 0.058 0.000 1.010 430 L CA -0.811 54.056 54.840 0.044 0.000 0.814 430 L CB 1.995 44.012 42.059 -0.071 0.000 1.304 430 L HN 0.754 nan 8.230 nan 0.000 0.441 431 S N 0.904 116.614 115.700 0.017 0.000 2.543 431 S HA 0.499 4.969 4.470 -0.000 0.000 0.273 431 S C -1.175 173.346 174.600 -0.132 0.000 1.152 431 S CA -0.828 57.352 58.200 -0.033 0.000 0.910 431 S CB 1.566 64.820 63.200 0.089 0.000 1.105 431 S HN 0.538 nan 8.310 nan 0.000 0.465 432 L N 3.689 124.757 121.223 -0.259 0.000 2.312 432 L HA 0.608 4.948 4.340 -0.000 0.000 0.281 432 L C -0.702 175.900 176.870 -0.446 0.000 1.070 432 L CA -0.292 54.436 54.840 -0.186 0.000 0.805 432 L CB 0.772 42.802 42.059 -0.049 0.000 1.174 432 L HN 0.857 nan 8.230 nan 0.000 0.434 433 H N 4.007 123.111 119.070 0.057 0.000 2.980 433 H HA 0.425 4.981 4.556 -0.000 0.000 0.367 433 H C -1.022 174.316 175.328 0.016 0.000 1.206 433 H CA -0.872 55.202 56.048 0.043 0.000 1.126 433 H CB 2.291 32.051 29.762 -0.002 0.000 1.838 433 H HN 0.472 nan 8.280 nan 0.000 0.552 434 R N 1.429 121.982 120.500 0.088 0.000 2.338 434 R HA 0.242 4.581 4.340 -0.000 0.000 0.317 434 R C -0.132 176.189 176.300 0.036 0.000 0.968 434 R CA -0.485 55.535 56.100 -0.134 0.000 0.849 434 R CB 1.182 31.313 30.300 -0.281 0.000 1.128 434 R HN 0.734 nan 8.270 nan 0.000 0.448 435 T N 0.432 115.007 114.554 0.035 0.000 2.899 435 T HA 0.185 4.535 4.350 -0.000 0.000 0.295 435 T C -1.264 173.455 174.700 0.031 0.000 1.033 435 T CA -1.440 60.748 62.100 0.147 0.000 1.084 435 T CB 1.163 70.110 68.868 0.132 0.000 0.979 435 T HN 0.404 nan 8.240 nan 0.000 0.532 436 P HA -0.086 nan 4.420 nan 0.000 0.224 436 P C 0.926 178.213 177.300 -0.021 0.000 1.142 436 P CA 0.917 64.002 63.100 -0.025 0.000 0.778 436 P CB -0.259 31.412 31.700 -0.047 0.000 0.764 437 A N -1.041 121.773 122.820 -0.010 0.000 2.307 437 A HA 0.506 4.826 4.320 -0.000 0.000 0.218 437 A C 1.760 179.328 177.584 -0.027 0.000 1.228 437 A CA 0.657 52.687 52.037 -0.011 0.000 0.857 437 A CB -0.814 18.190 19.000 0.006 0.000 0.897 437 A HN 0.283 nan 8.150 nan 0.000 0.495 438 G N -0.577 108.186 108.800 -0.061 0.000 2.317 438 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.227 438 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.227 438 G C 1.037 175.815 174.900 -0.205 0.000 1.042 438 G CA 1.024 46.061 45.100 -0.105 0.000 0.623 438 G HN 1.452 nan 8.290 nan 0.000 0.509 439 T N -0.854 113.626 114.554 -0.123 0.000 2.885 439 T HA 0.619 4.969 4.350 -0.000 0.000 0.356 439 T C 0.358 174.859 174.700 -0.331 0.000 1.137 439 T CA 0.401 62.450 62.100 -0.085 0.000 1.014 439 T CB 0.582 69.507 68.868 0.094 0.000 1.410 439 T HN 0.558 nan 8.240 nan 0.000 0.532 440 F N -1.004 118.968 119.950 0.036 0.000 2.561 440 F HA 0.737 5.264 4.527 -0.000 0.000 0.321 440 F C -0.127 175.673 175.800 0.001 0.000 1.065 440 F CA -1.189 56.828 58.000 0.027 0.000 0.934 440 F CB 2.132 41.142 39.000 0.017 0.000 1.215 440 F HN 0.501 nan 8.300 nan 0.000 0.471 441 V N 1.251 121.253 119.914 0.147 0.000 2.711 441 V HA 0.509 4.629 4.120 -0.000 0.000 0.304 441 V C -0.994 175.095 176.094 -0.008 0.000 1.097 441 V CA -0.230 62.074 62.300 0.005 0.000 0.906 441 V CB 2.066 33.788 31.823 -0.167 0.000 1.015 441 V HN 0.802 nan 8.190 nan 0.000 0.427 442 T N 8.251 122.784 114.554 -0.035 0.000 2.743 442 T HA 0.545 4.895 4.350 -0.000 0.000 0.293 442 T C -0.209 174.440 174.700 -0.086 0.000 0.945 442 T CA -0.099 61.971 62.100 -0.049 0.000 1.030 442 T CB 0.607 69.420 68.868 -0.091 0.000 0.912 442 T HN 0.514 nan 8.240 nan 0.000 0.483 443 L N 3.682 124.883 121.223 -0.037 0.000 2.307 443 L HA 0.510 4.850 4.340 -0.000 0.000 0.282 443 L C 0.720 177.543 176.870 -0.077 0.000 1.051 443 L CA -0.632 54.160 54.840 -0.080 0.000 0.804 443 L CB 1.235 43.256 42.059 -0.063 0.000 1.197 443 L HN 0.639 nan 8.230 nan 0.000 0.431 444 E N 1.034 121.174 120.200 -0.099 0.000 2.469 444 E HA 0.272 4.622 4.350 -0.000 0.000 0.246 444 E C -0.338 176.204 176.600 -0.097 0.000 0.969 444 E CA -0.821 55.519 56.400 -0.101 0.000 0.881 444 E CB 0.861 30.492 29.700 -0.116 0.000 1.320 444 E HN 0.498 nan 8.360 nan 0.000 0.421 445 E N -0.559 119.581 120.200 -0.101 0.000 2.735 445 E HA -0.317 4.033 4.350 -0.000 0.000 0.261 445 E C 0.534 177.055 176.600 -0.132 0.000 1.137 445 E CA 0.337 56.672 56.400 -0.108 0.000 0.754 445 E CB -1.614 28.030 29.700 -0.094 0.000 1.352 445 E HN 0.931 nan 8.360 nan 0.000 0.430 446 G N 0.049 108.757 108.800 -0.154 0.000 2.175 446 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.265 446 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.265 446 G C 0.710 175.550 174.900 -0.100 0.000 0.979 446 G CA 0.922 45.923 45.100 -0.164 0.000 0.663 446 G HN 0.407 nan 8.290 nan 0.000 0.533 447 K N 0.287 120.637 120.400 -0.083 0.000 2.519 447 K HA 0.034 4.354 4.320 -0.000 0.000 0.196 447 K C 2.566 179.130 176.600 -0.061 0.000 1.041 447 K CA 0.680 56.927 56.287 -0.066 0.000 0.954 447 K CB -0.260 32.201 32.500 -0.065 0.000 0.774 447 K HN 0.423 nan 8.250 nan 0.000 0.480 448 G N 1.524 110.301 108.800 -0.039 0.000 2.443 448 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 448 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 448 G C 1.028 175.925 174.900 -0.006 0.000 1.131 448 G CA 0.529 45.631 45.100 0.004 0.000 0.775 448 G HN 0.233 nan 8.290 nan 0.000 0.547 449 D N 0.491 120.879 120.400 -0.020 0.000 2.264 449 D HA -0.023 4.617 4.640 -0.000 0.000 0.208 449 D C 2.295 178.576 176.300 -0.032 0.000 0.966 449 D CA 0.253 54.240 54.000 -0.021 0.000 0.864 449 D CB 0.014 40.793 40.800 -0.034 0.000 0.933 449 D HN 0.299 nan 8.370 nan 0.000 0.499 450 L N 0.843 122.041 121.223 -0.042 0.000 2.700 450 L HA -0.049 4.291 4.340 -0.000 0.000 0.240 450 L C -0.061 176.775 176.870 -0.056 0.000 1.162 450 L CA 0.231 55.044 54.840 -0.044 0.000 0.874 450 L CB -0.789 41.247 42.059 -0.039 0.000 1.001 450 L HN -0.036 nan 8.230 nan 0.000 0.447 451 E N 0.921 121.084 120.200 -0.062 0.000 2.216 451 E HA -0.266 4.084 4.350 -0.000 0.000 0.162 451 E C 0.572 177.108 176.600 -0.107 0.000 1.642 451 E CA 0.369 56.718 56.400 -0.085 0.000 0.599 451 E CB -0.523 29.129 29.700 -0.081 0.000 1.045 451 E HN 0.589 nan 8.360 nan 0.000 0.308 452 E N -0.041 120.092 120.200 -0.110 0.000 2.378 452 E HA 0.002 4.352 4.350 -0.000 0.000 0.200 452 E C 0.116 176.582 176.600 -0.223 0.000 0.882 452 E CA 0.201 56.503 56.400 -0.163 0.000 1.061 452 E CB 0.284 29.894 29.700 -0.149 0.000 1.049 452 E HN 0.362 nan 8.360 nan 0.000 0.494 453 Y N 1.723 121.853 120.300 -0.282 0.000 2.960 453 Y HA 0.370 4.920 4.550 -0.000 0.000 0.393 453 Y C 0.928 176.799 175.900 -0.048 0.000 1.118 453 Y CA 0.215 58.204 58.100 -0.185 0.000 1.850 453 Y CB 0.213 38.556 38.460 -0.193 0.000 1.827 453 Y HN 0.153 nan 8.280 nan 0.000 0.463 454 G N 0.011 108.823 108.800 0.021 0.000 2.749 454 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.242 454 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.242 454 G C -0.398 174.552 174.900 0.082 0.000 1.364 454 G CA -0.757 44.343 45.100 -0.000 0.000 0.888 454 G HN 0.528 nan 8.290 nan 0.000 0.566 455 H N 0.583 119.748 119.070 0.158 0.000 2.690 455 H HA 0.242 4.798 4.556 -0.000 0.000 0.365 455 H C 0.615 175.960 175.328 0.028 0.000 1.142 455 H CA 0.437 56.552 56.048 0.111 0.000 1.417 455 H CB 0.713 30.490 29.762 0.025 0.000 1.446 455 H HN 0.599 nan 8.280 nan 0.000 0.599 456 D N 1.796 122.227 120.400 0.053 0.000 2.458 456 D HA -0.067 4.572 4.640 -0.000 0.000 0.243 456 D C 1.069 177.270 176.300 -0.165 0.000 1.146 456 D CA 0.085 53.931 54.000 -0.258 0.000 0.877 456 D CB 0.664 41.393 40.800 -0.118 0.000 1.176 456 D HN 0.420 nan 8.370 nan 0.000 0.461 457 L N 3.262 124.380 121.223 -0.175 0.000 2.478 457 L HA 0.031 4.371 4.340 -0.000 0.000 0.223 457 L C 0.911 177.765 176.870 -0.027 0.000 1.140 457 L CA 0.156 54.972 54.840 -0.041 0.000 0.842 457 L CB -0.217 41.897 42.059 0.092 0.000 0.953 457 L HN 0.296 nan 8.230 nan 0.000 0.452 458 L N 0.267 121.461 121.223 -0.047 0.000 2.367 458 L HA 0.119 4.459 4.340 -0.000 0.000 0.275 458 L C -0.407 176.486 176.870 0.038 0.000 1.129 458 L CA -0.246 54.626 54.840 0.053 0.000 0.839 458 L CB 0.333 42.416 42.059 0.041 0.000 1.133 458 L HN 0.098 nan 8.230 nan 0.000 0.453 459 H N 0.583 119.711 119.070 0.097 0.000 2.458 459 H HA 0.233 4.789 4.556 -0.000 0.000 0.330 459 H C -0.038 175.362 175.328 0.119 0.000 1.111 459 H CA -0.576 55.538 56.048 0.110 0.000 1.245 459 H CB 1.199 31.050 29.762 0.147 0.000 1.456 459 H HN 0.437 nan 8.280 nan 0.000 0.488 460 T N 2.631 117.309 114.554 0.206 0.000 2.829 460 T HA 0.099 4.448 4.350 -0.000 0.000 0.293 460 T C 1.361 176.170 174.700 0.181 0.000 0.970 460 T CA 0.202 62.404 62.100 0.170 0.000 1.168 460 T CB 0.041 68.977 68.868 0.114 0.000 0.911 460 T HN 0.623 nan 8.240 nan 0.000 0.535 461 V N 1.876 121.911 119.914 0.201 0.000 3.645 461 V HA 0.566 4.685 4.120 -0.000 0.000 0.275 461 V C -0.100 176.146 176.094 0.254 0.000 1.356 461 V CA -0.070 62.348 62.300 0.197 0.000 1.051 461 V CB -0.156 31.792 31.823 0.209 0.000 0.828 461 V HN 0.624 nan 8.190 nan 0.000 0.441 462 F N 1.201 121.178 119.950 0.045 0.000 2.653 462 F HA 0.733 5.260 4.527 -0.001 0.000 0.327 462 F C -0.882 174.932 175.800 0.024 0.000 1.195 462 F CA -0.855 57.157 58.000 0.020 0.000 0.993 462 F CB 1.588 40.593 39.000 0.008 0.000 1.259 462 F HN -0.202 nan 8.300 nan 0.000 0.478 463 K N 5.112 125.245 120.400 -0.446 0.000 2.471 463 K HA 0.313 4.632 4.320 -0.000 0.000 0.252 463 K C -0.572 175.708 176.600 -0.532 0.000 0.938 463 K CA -0.530 55.534 56.287 -0.371 0.000 0.796 463 K CB 1.602 34.009 32.500 -0.155 0.000 1.161 463 K HN 0.809 nan 8.250 nan 0.000 0.425 464 N N 1.895 120.312 118.700 -0.472 0.000 2.678 464 N HA -0.232 4.508 4.740 -0.000 0.000 0.268 464 N C 0.508 175.799 175.510 -0.364 0.000 1.010 464 N CA 1.398 54.227 53.050 -0.367 0.000 0.784 464 N CB -0.987 37.376 38.487 -0.207 0.000 0.905 464 N HN 1.057 nan 8.380 nan 0.000 0.552 465 G N -0.769 107.594 108.800 -0.728 0.000 2.225 465 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.267 465 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.267 465 G C -0.236 174.443 174.900 -0.369 0.000 1.024 465 G CA 0.664 45.474 45.100 -0.483 0.000 0.784 465 G HN 0.475 nan 8.290 nan 0.000 0.507 466 K N -0.089 120.008 120.400 -0.504 0.000 2.507 466 K HA 0.489 4.809 4.320 -0.000 0.000 0.251 466 K C -0.051 176.531 176.600 -0.030 0.000 0.943 466 K CA -0.855 55.342 56.287 -0.151 0.000 0.794 466 K CB 2.407 34.846 32.500 -0.100 0.000 1.188 466 K HN 0.093 nan 8.250 nan 0.000 0.428 467 V N 3.202 123.186 119.914 0.116 0.000 2.421 467 V HA -0.001 4.119 4.120 -0.000 0.000 0.271 467 V C 1.604 177.730 176.094 0.054 0.000 1.031 467 V CA 0.341 62.731 62.300 0.151 0.000 1.032 467 V CB 0.095 31.972 31.823 0.090 0.000 1.009 467 V HN 0.901 nan 8.190 nan 0.000 0.477 468 T N 0.854 115.441 114.554 0.056 0.000 3.107 468 T HA 0.226 4.576 4.350 -0.000 0.000 0.249 468 T C 0.367 175.070 174.700 0.005 0.000 1.096 468 T CA -0.177 61.935 62.100 0.020 0.000 1.012 468 T CB 0.018 68.900 68.868 0.024 0.000 0.977 468 T HN 0.468 nan 8.240 nan 0.000 0.527 469 K N 1.210 121.610 120.400 -0.000 0.000 2.578 469 K HA 0.420 4.740 4.320 -0.000 0.000 0.263 469 K C -1.276 175.254 176.600 -0.116 0.000 0.973 469 K CA -0.080 56.153 56.287 -0.089 0.000 0.909 469 K CB 1.209 33.676 32.500 -0.055 0.000 1.326 469 K HN 0.219 nan 8.250 nan 0.000 0.440 470 S N 1.805 117.359 115.700 -0.244 0.000 2.704 470 S HA 0.789 5.259 4.470 -0.000 0.000 0.296 470 S C -1.220 173.152 174.600 -0.379 0.000 1.138 470 S CA -0.787 57.321 58.200 -0.155 0.000 0.875 470 S CB 0.995 64.147 63.200 -0.081 0.000 1.151 470 S HN 0.358 nan 8.310 nan 0.000 0.500 471 Y N 0.617 120.945 120.300 0.047 0.000 2.492 471 Y HA 0.612 5.162 4.550 -0.001 0.000 0.346 471 Y C 0.494 176.497 175.900 0.172 0.000 0.997 471 Y CA -0.879 57.277 58.100 0.094 0.000 1.025 471 Y CB 1.972 40.500 38.460 0.114 0.000 1.263 471 Y HN 0.917 nan 8.280 nan 0.000 0.454 472 S N 1.186 117.051 115.700 0.275 0.000 2.576 472 S HA 0.096 4.566 4.470 -0.000 0.000 0.276 472 S C 0.655 175.456 174.600 0.336 0.000 1.339 472 S CA -0.512 57.854 58.200 0.277 0.000 1.039 472 S CB 0.338 63.641 63.200 0.172 0.000 0.902 472 S HN 0.682 nan 8.310 nan 0.000 0.516 473 F N 1.457 121.555 119.950 0.247 0.000 2.449 473 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 473 F C 1.537 177.356 175.800 0.031 0.000 1.092 473 F CA 1.465 59.534 58.000 0.115 0.000 1.446 473 F CB -0.226 38.803 39.000 0.048 0.000 1.084 473 F HN 0.658 nan 8.300 nan 0.000 0.567 474 D N -0.039 120.439 120.400 0.130 0.000 2.162 474 D HA -0.123 4.517 4.640 -0.000 0.000 0.203 474 D C 2.024 178.307 176.300 -0.027 0.000 0.967 474 D CA 1.194 55.217 54.000 0.039 0.000 0.840 474 D CB -0.147 40.696 40.800 0.073 0.000 0.972 474 D HN 0.485 nan 8.370 nan 0.000 0.482 475 E N 0.566 120.782 120.200 0.027 0.000 2.046 475 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 475 E C 2.404 178.964 176.600 -0.067 0.000 0.982 475 E CA 0.424 56.844 56.400 0.034 0.000 0.800 475 E CB 0.046 29.847 29.700 0.169 0.000 0.756 475 E HN 0.006 nan 8.360 nan 0.000 0.449 476 V N 2.033 121.876 119.914 -0.119 0.000 2.278 476 V HA -0.318 3.802 4.120 -0.000 0.000 0.251 476 V C 2.383 178.251 176.094 -0.378 0.000 1.062 476 V CA 1.790 63.927 62.300 -0.271 0.000 1.038 476 V CB -0.596 30.979 31.823 -0.413 0.000 0.646 476 V HN 0.234 nan 8.190 nan 0.000 0.447 477 R N 0.138 120.345 120.500 -0.488 0.000 2.097 477 R HA -0.220 4.120 4.340 -0.000 0.000 0.236 477 R C 2.366 178.524 176.300 -0.237 0.000 1.135 477 R CA 1.940 57.792 56.100 -0.413 0.000 0.934 477 R CB -0.766 29.334 30.300 -0.334 0.000 0.846 477 R HN 0.485 nan 8.270 nan 0.000 0.431 478 K N 0.375 120.680 120.400 -0.158 0.000 2.211 478 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 478 K C 1.532 178.081 176.600 -0.085 0.000 1.047 478 K CA 1.566 57.796 56.287 -0.095 0.000 0.935 478 K CB 0.034 32.505 32.500 -0.048 0.000 0.728 478 K HN 0.116 nan 8.250 nan 0.000 0.452 479 N N 0.380 119.017 118.700 -0.105 0.000 2.173 479 N HA -0.072 4.668 4.740 -0.000 0.000 0.184 479 N C 1.409 176.862 175.510 -0.094 0.000 1.025 479 N CA 1.323 54.323 53.050 -0.083 0.000 0.852 479 N CB -0.296 38.129 38.487 -0.103 0.000 0.998 479 N HN 0.156 nan 8.380 nan 0.000 0.427 480 A N 0.255 122.985 122.820 -0.150 0.000 2.239 480 A HA -0.029 4.291 4.320 -0.000 0.000 0.209 480 A C 1.089 178.594 177.584 -0.133 0.000 1.171 480 A CA 0.201 52.148 52.037 -0.151 0.000 0.768 480 A CB -0.442 18.422 19.000 -0.227 0.000 0.790 480 A HN 0.216 nan 8.150 nan 0.000 0.478 481 Q N 0.081 119.808 119.800 -0.121 0.000 2.469 481 Q HA 0.293 4.632 4.340 -0.000 0.000 0.279 481 Q C 0.061 176.014 176.000 -0.078 0.000 1.097 481 Q CA 0.632 56.370 55.803 -0.108 0.000 0.951 481 Q CB 0.176 28.863 28.738 -0.086 0.000 1.297 481 Q HN 0.512 nan 8.270 nan 0.000 0.465 482 L N 1.859 123.035 121.223 -0.080 0.000 2.657 482 L HA 0.445 4.785 4.340 -0.000 0.000 0.240 482 L C 0.618 177.470 176.870 -0.030 0.000 1.151 482 L CA -0.837 53.971 54.840 -0.053 0.000 0.831 482 L CB 0.380 42.399 42.059 -0.066 0.000 1.539 482 L HN 0.898 nan 8.230 nan 0.000 0.511 483 N N 0.000 118.690 118.700 -0.017 0.000 1.763 483 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 483 N CA 0.000 53.046 53.050 -0.006 0.000 0.885 483 N CB 0.000 38.480 38.487 -0.011 0.000 1.341 483 N HN 0.000 nan 8.380 nan 0.000 0.667