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 2jgk_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGEX DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLL 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.621 176.600 0.035 0.000 1.382 4 E CA 0.000 56.415 56.400 0.026 0.000 0.976 4 E CB 0.000 29.715 29.700 0.025 0.000 0.812 5 D N 5.094 125.522 120.400 0.046 0.000 2.349 5 D HA 0.089 4.749 4.640 0.033 0.000 0.266 5 D C -1.326 175.016 176.300 0.069 0.000 1.293 5 D CA -1.824 52.218 54.000 0.069 0.000 0.926 5 D CB 1.295 42.155 40.800 0.101 0.000 1.090 5 D HN 0.246 nan 8.370 nan 0.000 0.502 6 P HA -0.119 nan 4.420 nan 0.000 0.230 6 P C 1.017 178.343 177.300 0.044 0.000 1.158 6 P CA 0.562 63.685 63.100 0.038 0.000 0.769 6 P CB 0.538 32.248 31.700 0.017 0.000 0.807 7 Q N -0.298 119.530 119.800 0.047 0.000 2.230 7 Q HA 0.066 4.426 4.340 0.033 0.000 0.202 7 Q C 1.707 177.806 176.000 0.166 0.000 0.963 7 Q CA 0.827 56.653 55.803 0.038 0.000 0.866 7 Q CB -0.175 28.493 28.738 -0.116 0.000 0.931 7 Q HN 0.417 nan 8.270 nan 0.000 0.452 8 L N 0.707 122.035 121.223 0.176 0.000 2.783 8 L HA 0.238 4.597 4.340 0.033 0.000 0.236 8 L C -0.203 176.814 176.870 0.244 0.000 1.225 8 L CA -0.253 54.697 54.840 0.183 0.000 1.026 8 L CB 0.238 42.330 42.059 0.054 0.000 1.314 8 L HN -0.023 nan 8.230 nan 0.000 0.489 9 L N 0.674 122.031 121.223 0.224 0.000 2.441 9 L HA 0.599 4.958 4.340 0.033 0.000 0.270 9 L C -0.832 176.083 176.870 0.074 0.000 0.973 9 L CA -0.306 54.631 54.840 0.162 0.000 0.842 9 L CB 1.915 44.029 42.059 0.092 0.000 1.239 9 L HN -0.230 nan 8.230 nan 0.000 0.406 10 V N 3.842 123.772 119.914 0.028 0.000 2.789 10 V HA 0.573 4.713 4.120 0.033 0.000 0.311 10 V C -0.400 175.632 176.094 -0.102 0.000 1.073 10 V CA -0.839 61.347 62.300 -0.190 0.000 0.921 10 V CB 1.961 33.387 31.823 -0.663 0.000 1.009 10 V HN 0.716 nan 8.190 nan 0.000 0.426 11 R N 3.017 123.439 120.500 -0.129 0.000 2.204 11 R HA 0.662 5.021 4.340 0.033 0.000 0.341 11 R C -0.525 175.711 176.300 -0.107 0.000 1.035 11 R CA -0.318 55.736 56.100 -0.077 0.000 0.887 11 R CB 1.131 31.386 30.300 -0.076 0.000 1.114 11 R HN 0.778 nan 8.270 nan 0.000 0.473 12 V N 1.800 121.702 119.914 -0.020 0.000 3.234 12 V HA 0.403 4.543 4.120 0.033 0.000 0.317 12 V C 1.315 177.358 176.094 -0.086 0.000 1.081 12 V CA -0.810 61.487 62.300 -0.004 0.000 1.037 12 V CB 1.620 33.594 31.823 0.251 0.000 1.148 12 V HN 0.814 nan 8.190 nan 0.000 0.453 13 R N 1.150 121.592 120.500 -0.096 0.000 2.159 13 R HA -0.073 4.287 4.340 0.033 0.000 0.237 13 R C 2.070 178.231 176.300 -0.231 0.000 1.131 13 R CA 1.619 57.640 56.100 -0.131 0.000 0.982 13 R CB -0.685 29.562 30.300 -0.088 0.000 0.868 13 R HN 1.003 nan 8.270 nan 0.000 0.453 14 G N -0.584 108.014 108.800 -0.337 0.000 2.551 14 G HA2 0.202 4.181 3.960 0.033 0.000 0.216 14 G HA3 0.202 4.181 3.960 0.033 0.000 0.216 14 G C 0.534 174.398 174.900 -1.726 0.000 1.137 14 G CA 0.660 45.199 45.100 -0.936 0.000 0.798 14 G HN 0.577 nan 8.290 nan 0.000 0.536 15 G N -1.237 106.899 108.800 -1.106 0.000 2.334 15 G HA2 0.186 4.166 3.960 0.033 0.000 0.249 15 G HA3 0.186 4.166 3.960 0.033 0.000 0.249 15 G C -1.391 173.491 174.900 -0.031 0.000 1.327 15 G CA -0.850 43.798 45.100 -0.754 0.000 0.979 15 G HN 0.256 nan 8.290 nan 0.000 0.471 16 Q N -0.214 119.731 119.800 0.242 0.000 2.230 16 Q HA 0.700 5.059 4.340 0.033 0.000 0.253 16 Q C -0.714 175.568 176.000 0.469 0.000 0.919 16 Q CA -0.351 55.628 55.803 0.293 0.000 0.908 16 Q CB 1.901 30.748 28.738 0.181 0.000 1.245 16 Q HN 0.451 nan 8.270 nan 0.000 0.437 17 L N 1.381 122.804 121.223 0.333 0.000 2.381 17 L HA 0.633 4.993 4.340 0.033 0.000 0.268 17 L C -0.509 176.530 176.870 0.281 0.000 0.997 17 L CA -0.854 54.178 54.840 0.320 0.000 0.818 17 L CB 2.139 44.437 42.059 0.398 0.000 1.310 17 L HN 0.425 nan 8.230 nan 0.000 0.416 18 R N 0.705 121.333 120.500 0.214 0.000 2.343 18 R HA 0.673 5.032 4.340 0.033 0.000 0.320 18 R C -0.124 176.227 176.300 0.085 0.000 0.956 18 R CA -0.327 55.868 56.100 0.158 0.000 0.836 18 R CB 1.643 31.988 30.300 0.074 0.000 1.151 18 R HN 0.851 nan 8.270 nan 0.000 0.450 19 G N 3.361 112.138 108.800 -0.038 0.000 2.537 19 G HA2 0.403 4.382 3.960 0.033 0.000 0.297 19 G HA3 0.403 4.382 3.960 0.033 0.000 0.297 19 G C -0.893 173.805 174.900 -0.337 0.000 1.310 19 G CA -0.745 44.054 45.100 -0.501 0.000 1.027 19 G HN 0.617 nan 8.290 nan 0.000 0.505 20 I N -0.879 119.448 120.570 -0.404 0.000 2.608 20 I HA 0.519 4.708 4.170 0.033 0.000 0.295 20 I C -0.135 175.825 176.117 -0.261 0.000 1.049 20 I CA -1.174 59.966 61.300 -0.266 0.000 1.063 20 I CB 2.028 39.883 38.000 -0.241 0.000 1.248 20 I HN 0.411 nan 8.210 nan 0.000 0.424 21 R N 7.711 128.086 120.500 -0.209 0.000 2.220 21 R HA 0.446 4.806 4.340 0.033 0.000 0.340 21 R C -1.398 174.766 176.300 -0.226 0.000 1.076 21 R CA -0.397 55.547 56.100 -0.260 0.000 0.920 21 R CB 0.305 30.389 30.300 -0.360 0.000 1.062 21 R HN 0.632 nan 8.270 nan 0.000 0.469 22 L N 3.576 124.691 121.223 -0.181 0.000 2.379 22 L HA 0.387 4.746 4.340 0.033 0.000 0.269 22 L C 0.327 177.120 176.870 -0.128 0.000 1.084 22 L CA -0.523 54.240 54.840 -0.128 0.000 0.802 22 L CB 1.361 43.381 42.059 -0.065 0.000 1.175 22 L HN 0.437 nan 8.230 nan 0.000 0.448 23 K N 2.094 122.429 120.400 -0.110 0.000 2.211 23 K HA 0.693 5.033 4.320 0.033 0.000 0.275 23 K C -1.139 175.408 176.600 -0.088 0.000 1.024 23 K CA -0.380 55.850 56.287 -0.095 0.000 0.887 23 K CB 1.487 33.941 32.500 -0.077 0.000 1.084 23 K HN 0.709 nan 8.250 nan 0.000 0.463 24 A N 5.506 128.284 122.820 -0.071 0.000 2.401 24 A HA 0.487 4.826 4.320 0.033 0.000 0.310 24 A C -2.071 175.526 177.584 0.022 0.000 1.075 24 A CA -1.795 50.207 52.037 -0.058 0.000 0.746 24 A CB 1.128 20.066 19.000 -0.104 0.000 1.277 24 A HN 0.600 nan 8.150 nan 0.000 0.425 25 P HA -0.270 nan 4.420 nan 0.000 0.227 25 P C 1.193 178.524 177.300 0.053 0.000 1.106 25 P CA 2.812 65.961 63.100 0.083 0.000 0.998 25 P CB 0.155 31.931 31.700 0.127 0.000 0.769 26 G N -2.233 106.601 108.800 0.057 0.000 3.605 26 G HA2 0.497 4.477 3.960 0.033 0.000 0.277 26 G HA3 0.497 4.477 3.960 0.033 0.000 0.277 26 G C 0.324 175.248 174.900 0.041 0.000 1.093 26 G CA 0.425 45.552 45.100 0.044 0.000 0.821 26 G HN 0.701 nan 8.290 nan 0.000 0.532 27 G N -0.239 108.580 108.800 0.033 0.000 2.320 27 G HA2 0.454 4.434 3.960 0.033 0.000 0.297 27 G HA3 0.454 4.434 3.960 0.033 0.000 0.297 27 G C -3.578 171.326 174.900 0.006 0.000 1.344 27 G CA -0.739 44.381 45.100 0.033 0.000 0.851 27 G HN 0.043 nan 8.290 nan 0.000 0.567 28 P HA 0.611 nan 4.420 nan 0.000 0.290 28 P C -0.226 177.085 177.300 0.018 0.000 1.275 28 P CA -0.740 62.304 63.100 -0.094 0.000 0.841 28 P CB 1.896 33.407 31.700 -0.315 0.000 1.042 29 V N -0.965 118.944 119.914 -0.009 0.000 2.960 29 V HA 0.703 4.843 4.120 0.033 0.000 0.315 29 V C -0.494 175.670 176.094 0.117 0.000 1.087 29 V CA -0.825 61.555 62.300 0.133 0.000 0.982 29 V CB 1.943 33.857 31.823 0.151 0.000 1.039 29 V HN 0.403 nan 8.190 nan 0.000 0.437 30 S N 2.745 118.591 115.700 0.243 0.000 2.410 30 S HA 0.790 5.280 4.470 0.033 0.000 0.304 30 S C 0.201 174.784 174.600 -0.028 0.000 1.095 30 S CA 0.026 58.308 58.200 0.137 0.000 1.089 30 S CB 0.805 64.224 63.200 0.365 0.000 0.968 30 S HN 1.457 nan 8.310 nan 0.000 0.480 31 A N 2.785 125.408 122.820 -0.329 0.000 2.293 31 A HA 0.842 5.181 4.320 0.033 0.000 0.302 31 A C -0.783 176.307 177.584 -0.823 0.000 1.119 31 A CA -0.520 51.214 52.037 -0.504 0.000 0.823 31 A CB 0.223 18.905 19.000 -0.531 0.000 1.097 31 A HN 0.713 nan 8.150 nan 0.000 0.491 32 F N 1.539 121.321 119.950 -0.280 0.000 2.931 32 F HA 0.335 4.882 4.527 0.032 0.000 0.375 32 F C -0.504 175.145 175.800 -0.252 0.000 1.243 32 F CA -0.129 57.797 58.000 -0.124 0.000 1.206 32 F CB 1.013 40.102 39.000 0.148 0.000 1.643 32 F HN 0.310 nan 8.300 nan 0.000 0.593 33 L N 1.788 122.870 121.223 -0.235 0.000 2.289 33 L HA 0.718 5.077 4.340 0.033 0.000 0.285 33 L C 1.002 177.787 176.870 -0.140 0.000 1.049 33 L CA -0.805 53.850 54.840 -0.308 0.000 0.804 33 L CB 1.425 43.091 42.059 -0.655 0.000 1.195 33 L HN 0.784 nan 8.230 nan 0.000 0.428 34 G N 3.350 112.136 108.800 -0.023 0.000 2.212 34 G HA2 -0.242 3.737 3.960 0.033 0.000 0.255 34 G HA3 -0.242 3.737 3.960 0.033 0.000 0.255 34 G C -0.050 174.852 174.900 0.003 0.000 1.062 34 G CA -0.461 44.615 45.100 -0.040 0.000 0.815 34 G HN 0.526 nan 8.290 nan 0.000 0.497 35 I N 1.847 122.456 120.570 0.066 0.000 2.533 35 I HA 0.188 4.377 4.170 0.033 0.000 0.284 35 I C -1.391 174.817 176.117 0.153 0.000 1.109 35 I CA -1.788 59.544 61.300 0.053 0.000 1.412 35 I CB 0.762 38.739 38.000 -0.039 0.000 1.396 35 I HN -0.004 nan 8.210 nan 0.000 0.543 36 P HA 0.052 nan 4.420 nan 0.000 0.282 36 P C -0.174 177.069 177.300 -0.095 0.000 1.262 36 P CA -0.052 62.998 63.100 -0.084 0.000 0.773 36 P CB 0.417 32.083 31.700 -0.057 0.000 0.879 37 F N 1.504 121.294 119.950 -0.265 0.000 2.704 37 F HA 0.713 5.260 4.527 0.033 0.000 0.304 37 F C 0.204 175.980 175.800 -0.039 0.000 1.094 37 F CA -0.720 57.170 58.000 -0.184 0.000 1.275 37 F CB 0.217 39.017 39.000 -0.332 0.000 1.073 37 F HN 0.316 nan 8.300 nan 0.000 0.586 38 A N 0.088 122.641 122.820 -0.445 0.000 2.606 38 A HA 0.514 4.854 4.320 0.033 0.000 0.293 38 A C -0.894 176.515 177.584 -0.291 0.000 1.082 38 A CA -0.883 50.974 52.037 -0.300 0.000 0.685 38 A CB 0.933 19.697 19.000 -0.394 0.000 1.284 38 A HN 0.094 nan 8.150 nan 0.000 0.408 39 E N 1.196 121.308 120.200 -0.147 0.000 2.384 39 E HA 0.235 4.604 4.350 0.033 0.000 0.266 39 E C -2.316 174.179 176.600 -0.175 0.000 1.012 39 E CA -1.214 55.115 56.400 -0.118 0.000 0.901 39 E CB 0.043 29.714 29.700 -0.048 0.000 0.967 39 E HN 0.242 nan 8.360 nan 0.000 0.435 40 P HA 0.012 nan 4.420 nan 0.000 0.262 40 P C -2.207 175.015 177.300 -0.130 0.000 1.199 40 P CA -0.834 62.165 63.100 -0.169 0.000 0.763 40 P CB -0.085 31.554 31.700 -0.103 0.000 0.790 41 P HA 0.006 nan 4.420 nan 0.000 0.225 41 P C -0.376 176.855 177.300 -0.116 0.000 1.768 41 P CA 0.156 63.188 63.100 -0.114 0.000 0.943 41 P CB -0.147 31.485 31.700 -0.113 0.000 1.936 42 V N -2.882 116.970 119.914 -0.102 0.000 2.919 42 V HA 0.902 5.041 4.120 0.033 0.000 0.316 42 V C 0.931 176.972 176.094 -0.088 0.000 1.077 42 V CA 0.089 62.328 62.300 -0.102 0.000 0.977 42 V CB 1.023 32.794 31.823 -0.087 0.000 1.039 42 V HN 0.529 nan 8.190 nan 0.000 0.441 43 G N 2.861 111.606 108.800 -0.091 0.000 2.601 43 G HA2 -0.347 3.633 3.960 0.033 0.000 0.306 43 G HA3 -0.347 3.633 3.960 0.033 0.000 0.306 43 G C 1.269 176.126 174.900 -0.072 0.000 1.172 43 G CA 1.497 46.555 45.100 -0.070 0.000 0.966 43 G HN 2.367 nan 8.290 nan 0.000 0.542 44 S N 0.439 116.111 115.700 -0.046 0.000 2.561 44 S HA 0.175 4.664 4.470 0.033 0.000 0.225 44 S C 1.920 176.500 174.600 -0.034 0.000 0.977 44 S CA 1.440 59.623 58.200 -0.029 0.000 0.926 44 S CB 0.109 63.303 63.200 -0.011 0.000 0.769 44 S HN 0.529 nan 8.310 nan 0.000 0.533 45 R N 1.297 121.762 120.500 -0.058 0.000 2.312 45 R HA 0.281 4.641 4.340 0.033 0.000 0.205 45 R C 0.742 176.985 176.300 -0.095 0.000 0.904 45 R CA -0.144 55.922 56.100 -0.056 0.000 1.052 45 R CB -0.458 29.810 30.300 -0.053 0.000 1.014 45 R HN 0.509 nan 8.270 nan 0.000 0.503 46 R N 0.663 121.053 120.500 -0.184 0.000 2.570 46 R HA -0.121 4.238 4.340 0.033 0.000 0.277 46 R C -0.275 175.798 176.300 -0.378 0.000 1.039 46 R CA 0.512 56.374 56.100 -0.396 0.000 1.065 46 R CB 0.080 29.994 30.300 -0.644 0.000 0.964 46 R HN 0.069 nan 8.270 nan 0.000 0.428 47 F N -0.615 119.328 119.950 -0.010 0.000 2.656 47 F HA -0.283 4.263 4.527 0.032 0.000 0.381 47 F C -0.073 175.706 175.800 -0.036 0.000 0.603 47 F CA 0.555 58.529 58.000 -0.043 0.000 1.335 47 F CB -1.712 37.252 39.000 -0.059 0.000 1.836 47 F HN 0.478 nan 8.300 nan 0.000 0.290 48 M N 0.438 120.093 119.600 0.091 0.000 2.598 48 M HA 0.450 4.949 4.480 0.033 0.000 0.317 48 M C -2.083 174.237 176.300 0.034 0.000 1.201 48 M CA -1.547 53.790 55.300 0.061 0.000 0.971 48 M CB 1.328 33.954 32.600 0.043 0.000 1.657 48 M HN -0.396 nan 8.290 nan 0.000 0.470 49 P HA 0.033 nan 4.420 nan 0.000 0.265 49 P C -2.428 174.894 177.300 0.036 0.000 1.187 49 P CA -0.363 62.764 63.100 0.045 0.000 0.766 49 P CB -0.415 31.322 31.700 0.060 0.000 0.820 50 P HA 0.174 nan 4.420 nan 0.000 0.275 50 P C -0.626 176.705 177.300 0.051 0.000 1.228 50 P CA 0.093 63.212 63.100 0.032 0.000 0.786 50 P CB 0.980 32.720 31.700 0.066 0.000 0.927 51 E N 2.646 122.863 120.200 0.028 0.000 2.221 51 E HA 0.416 4.785 4.350 0.033 0.000 0.268 51 E C -2.305 174.332 176.600 0.061 0.000 0.933 51 E CA -2.414 54.014 56.400 0.048 0.000 0.809 51 E CB 0.613 30.332 29.700 0.032 0.000 1.190 51 E HN 0.348 nan 8.360 nan 0.000 0.406 52 P HA -0.056 nan 4.420 nan 0.000 0.266 52 P C -0.814 176.553 177.300 0.112 0.000 1.195 52 P CA -0.096 63.084 63.100 0.134 0.000 0.768 52 P CB 0.396 32.180 31.700 0.140 0.000 0.838 53 K N 3.812 124.298 120.400 0.143 0.000 2.401 53 K HA 0.075 4.415 4.320 0.033 0.000 0.278 53 K C 0.016 176.733 176.600 0.196 0.000 1.018 53 K CA 0.168 56.542 56.287 0.145 0.000 0.981 53 K CB 0.286 32.896 32.500 0.185 0.000 0.933 53 K HN 0.269 nan 8.250 nan 0.000 0.477 54 R N 4.797 125.397 120.500 0.166 0.000 2.594 54 R HA 0.184 4.543 4.340 0.033 0.000 0.272 54 R C -1.996 174.438 176.300 0.224 0.000 1.074 54 R CA -1.671 54.520 56.100 0.151 0.000 1.105 54 R CB -0.013 30.352 30.300 0.109 0.000 1.008 54 R HN 0.592 nan 8.270 nan 0.000 0.472 55 P HA -0.094 nan 4.420 nan 0.000 0.269 55 P C -1.245 176.123 177.300 0.114 0.000 1.211 55 P CA 0.138 63.196 63.100 -0.070 0.000 0.781 55 P CB 0.308 31.926 31.700 -0.136 0.000 0.877 56 W N -0.036 121.301 121.300 0.062 0.000 2.915 56 W HA 0.627 5.307 4.660 0.033 0.000 0.337 56 W C -0.663 175.883 176.519 0.045 0.000 1.102 56 W CA -1.088 56.289 57.345 0.054 0.000 1.224 56 W CB 0.055 29.554 29.460 0.065 0.000 1.416 56 W HN 0.376 nan 8.180 nan 0.000 0.503 57 S N 2.628 118.473 115.700 0.242 0.000 2.585 57 S HA 0.706 5.196 4.470 0.033 0.000 0.273 57 S C 0.722 175.464 174.600 0.236 0.000 1.339 57 S CA 0.457 58.751 58.200 0.155 0.000 1.028 57 S CB 0.632 63.899 63.200 0.112 0.000 0.906 57 S HN 2.279 nan 8.310 nan 0.000 0.528 58 G N 0.589 109.485 108.800 0.160 0.000 2.598 58 G HA2 -0.161 3.818 3.960 0.033 0.000 0.244 58 G HA3 -0.161 3.818 3.960 0.033 0.000 0.244 58 G C -0.652 174.384 174.900 0.227 0.000 1.302 58 G CA -0.283 44.911 45.100 0.157 0.000 0.903 58 G HN 1.712 nan 8.290 nan 0.000 0.575 59 V N 1.008 121.030 119.914 0.180 0.000 2.334 59 V HA 0.529 4.668 4.120 0.033 0.000 0.281 59 V C 0.316 176.492 176.094 0.136 0.000 1.016 59 V CA -0.507 61.908 62.300 0.192 0.000 0.832 59 V CB 1.219 33.118 31.823 0.126 0.000 0.999 59 V HN 0.957 nan 8.190 nan 0.000 0.439 60 L N 4.762 126.062 121.223 0.129 0.000 2.360 60 L HA 0.417 4.776 4.340 0.033 0.000 0.276 60 L C 0.160 176.997 176.870 -0.054 0.000 1.121 60 L CA 0.032 54.810 54.840 -0.103 0.000 0.845 60 L CB 0.671 42.389 42.059 -0.568 0.000 1.143 60 L HN 0.783 nan 8.230 nan 0.000 0.452 61 D N 4.552 124.908 120.400 -0.074 0.000 2.358 61 D HA 0.427 5.087 4.640 0.033 0.000 0.258 61 D C -0.386 175.863 176.300 -0.085 0.000 1.223 61 D CA 0.378 54.342 54.000 -0.061 0.000 0.886 61 D CB 0.756 41.513 40.800 -0.071 0.000 1.120 61 D HN 0.763 nan 8.370 nan 0.000 0.482 62 A N 3.403 126.195 122.820 -0.047 0.000 3.204 62 A HA 0.401 4.740 4.320 0.033 0.000 0.327 62 A C 0.506 178.015 177.584 -0.125 0.000 0.998 62 A CA -0.373 51.633 52.037 -0.051 0.000 0.891 62 A CB 0.115 19.172 19.000 0.095 0.000 1.061 62 A HN 0.603 nan 8.150 nan 0.000 0.478 63 T N -3.743 110.703 114.554 -0.180 0.000 3.130 63 T HA 0.366 4.735 4.350 0.033 0.000 0.288 63 T C 0.295 174.833 174.700 -0.271 0.000 0.936 63 T CA 0.543 62.504 62.100 -0.232 0.000 0.897 63 T CB 0.327 69.092 68.868 -0.173 0.000 1.178 63 T HN 0.534 nan 8.240 nan 0.000 0.543 64 T N 0.781 115.176 114.554 -0.266 0.000 2.900 64 T HA 0.624 4.993 4.350 0.033 0.000 0.303 64 T C -1.611 172.945 174.700 -0.240 0.000 1.142 64 T CA -0.622 61.320 62.100 -0.263 0.000 1.007 64 T CB 0.805 69.579 68.868 -0.157 0.000 1.156 64 T HN 0.072 nan 8.240 nan 0.000 0.490 65 F N 3.173 123.052 119.950 -0.117 0.000 2.518 65 F HA 0.332 4.878 4.527 0.033 0.000 0.359 65 F C 1.420 177.130 175.800 -0.151 0.000 1.118 65 F CA -0.143 57.792 58.000 -0.107 0.000 1.287 65 F CB 0.602 39.569 39.000 -0.054 0.000 1.132 65 F HN 0.436 nan 8.300 nan 0.000 0.587 66 Q N 1.515 121.351 119.800 0.059 0.000 2.189 66 Q HA 0.179 4.538 4.340 0.033 0.000 0.193 66 Q C -0.070 175.892 176.000 -0.062 0.000 1.034 66 Q CA -0.666 55.034 55.803 -0.171 0.000 1.062 66 Q CB 0.435 28.840 28.738 -0.555 0.000 1.118 66 Q HN 0.508 nan 8.270 nan 0.000 0.569 67 N N -0.108 118.544 118.700 -0.080 0.000 2.395 67 N HA 0.004 4.764 4.740 0.033 0.000 0.246 67 N C -0.550 174.965 175.510 0.009 0.000 1.246 67 N CA 0.154 53.194 53.050 -0.017 0.000 0.879 67 N CB 0.427 38.918 38.487 0.007 0.000 1.098 67 N HN 0.168 nan 8.380 nan 0.000 0.444 68 V N 1.983 121.871 119.914 -0.043 0.000 2.546 68 V HA 0.077 4.216 4.120 0.033 0.000 0.284 68 V C 0.725 176.775 176.094 -0.073 0.000 1.050 68 V CA -0.808 61.445 62.300 -0.079 0.000 0.981 68 V CB 0.933 32.675 31.823 -0.136 0.000 0.990 68 V HN 0.715 nan 8.190 nan 0.000 0.474 69 c N 4.013 122.571 118.600 -0.071 0.000 2.702 69 c HA 0.064 4.654 4.570 0.033 0.000 0.411 69 c C 0.479 174.484 174.090 -0.142 0.000 1.286 69 c CA -0.544 55.730 56.329 -0.091 0.000 1.979 69 c CB -0.873 41.598 42.510 -0.064 0.000 2.728 69 c HN 0.739 nan 8.230 nan 0.000 0.652 70 Y N 3.564 123.641 120.300 -0.371 0.000 2.605 70 Y HA 0.273 4.843 4.550 0.033 0.000 0.336 70 Y C 0.745 176.553 175.900 -0.153 0.000 1.111 70 Y CA 0.846 58.701 58.100 -0.407 0.000 1.422 70 Y CB -0.022 37.932 38.460 -0.842 0.000 1.193 70 Y HN 0.725 nan 8.280 nan 0.000 0.526 71 Q N 4.225 123.847 119.800 -0.297 0.000 2.462 71 Q HA 0.272 4.631 4.340 0.033 0.000 0.285 71 Q C -1.668 174.384 176.000 0.086 0.000 1.035 71 Q CA -1.276 54.557 55.803 0.051 0.000 0.799 71 Q CB 1.492 30.273 28.738 0.072 0.000 1.452 71 Q HN 0.657 nan 8.270 nan 0.000 0.404 72 Y N 1.327 121.764 120.300 0.228 0.000 2.717 72 Y HA 0.248 4.818 4.550 0.032 0.000 0.330 72 Y C -0.867 175.168 175.900 0.224 0.000 1.217 72 Y CA 0.137 58.413 58.100 0.293 0.000 1.506 72 Y CB 0.736 39.540 38.460 0.573 0.000 1.268 72 Y HN 0.447 nan 8.280 nan 0.000 0.561 73 V N 6.899 126.535 119.914 -0.462 0.000 2.407 73 V HA 0.073 4.212 4.120 0.033 0.000 0.278 73 V C -0.331 175.401 176.094 -0.603 0.000 1.037 73 V CA -0.848 61.240 62.300 -0.353 0.000 0.900 73 V CB 1.392 33.072 31.823 -0.237 0.000 0.983 73 V HN 0.756 nan 8.190 nan 0.000 0.459 74 D N 3.154 123.478 120.400 -0.128 0.000 2.383 74 D HA 0.271 4.931 4.640 0.033 0.000 0.252 74 D C 0.915 177.251 176.300 0.059 0.000 1.166 74 D CA 0.272 54.333 54.000 0.101 0.000 0.879 74 D CB 1.141 42.184 40.800 0.404 0.000 1.164 74 D HN 0.749 nan 8.370 nan 0.000 0.462 75 T N 1.107 115.696 114.554 0.058 0.000 3.200 75 T HA 0.076 4.445 4.350 0.033 0.000 0.284 75 T C 1.418 176.126 174.700 0.013 0.000 1.009 75 T CA -0.455 61.661 62.100 0.027 0.000 0.907 75 T CB -0.115 68.743 68.868 -0.017 0.000 1.120 75 T HN 0.264 nan 8.240 nan 0.000 0.534 76 L N 0.495 121.726 121.223 0.013 0.000 2.017 76 L HA 0.229 4.588 4.340 0.033 0.000 0.208 76 L C -0.082 176.561 176.870 -0.378 0.000 1.073 76 L CA 1.532 56.238 54.840 -0.223 0.000 0.745 76 L CB -0.157 41.680 42.059 -0.372 0.000 0.894 76 L HN 0.400 nan 8.230 nan 0.000 0.432 77 Y N -0.390 119.943 120.300 0.056 0.000 2.837 77 Y HA 0.385 4.955 4.550 0.033 0.000 0.356 77 Y C -2.179 173.778 175.900 0.095 0.000 1.035 77 Y CA -3.345 54.790 58.100 0.059 0.000 1.165 77 Y CB -0.105 38.411 38.460 0.094 0.000 1.147 77 Y HN 0.050 nan 8.280 nan 0.000 0.628 78 P HA 0.124 nan 4.420 nan 0.000 0.264 78 P C 1.008 178.374 177.300 0.111 0.000 1.193 78 P CA 1.202 64.364 63.100 0.103 0.000 0.763 78 P CB 0.877 32.605 31.700 0.047 0.000 0.810 79 G N 2.238 111.087 108.800 0.081 0.000 2.184 79 G HA2 -0.297 3.683 3.960 0.033 0.000 0.264 79 G HA3 -0.297 3.683 3.960 0.033 0.000 0.264 79 G C -0.036 174.916 174.900 0.087 0.000 0.975 79 G CA -0.304 44.828 45.100 0.054 0.000 0.642 79 G HN 0.545 nan 8.290 nan 0.000 0.536 80 F N 2.029 121.950 119.950 -0.049 0.000 2.445 80 F HA 0.557 5.104 4.527 0.032 0.000 0.359 80 F C 1.225 176.933 175.800 -0.153 0.000 1.101 80 F CA -0.641 57.279 58.000 -0.133 0.000 1.177 80 F CB 0.940 39.826 39.000 -0.191 0.000 1.110 80 F HN 0.198 nan 8.300 nan 0.000 0.522 81 E N 3.652 123.457 120.200 -0.658 0.000 2.153 81 E HA -0.114 4.255 4.350 0.033 0.000 0.194 81 E C 2.158 178.220 176.600 -0.897 0.000 0.988 81 E CA 1.093 57.116 56.400 -0.629 0.000 0.811 81 E CB -0.167 29.270 29.700 -0.439 0.000 0.746 81 E HN 1.043 nan 8.360 nan 0.000 0.466 82 G N 0.256 107.927 108.800 -1.881 0.000 2.469 82 G HA2 -0.360 3.620 3.960 0.033 0.000 0.219 82 G HA3 -0.360 3.620 3.960 0.033 0.000 0.219 82 G C 1.698 176.397 174.900 -0.336 0.000 1.150 82 G CA 1.796 46.031 45.100 -1.442 0.000 0.763 82 G HN 0.468 nan 8.290 nan 0.000 0.561 83 T N -2.203 112.160 114.554 -0.319 0.000 3.039 83 T HA 0.145 4.514 4.350 0.033 0.000 0.250 83 T C 1.935 176.733 174.700 0.165 0.000 1.052 83 T CA 0.933 63.228 62.100 0.326 0.000 1.125 83 T CB 0.067 69.240 68.868 0.508 0.000 0.908 83 T HN 0.152 nan 8.240 nan 0.000 0.473 84 E N 2.323 122.484 120.200 -0.065 0.000 2.153 84 E HA -0.100 4.270 4.350 0.033 0.000 0.194 84 E C 2.248 178.761 176.600 -0.146 0.000 0.988 84 E CA 1.399 57.756 56.400 -0.071 0.000 0.811 84 E CB -0.526 29.105 29.700 -0.116 0.000 0.746 84 E HN 0.813 nan 8.360 nan 0.000 0.466 85 M N -2.194 117.218 119.600 -0.313 0.000 2.358 85 M HA -0.079 4.421 4.480 0.033 0.000 0.264 85 M C 1.502 177.481 176.300 -0.536 0.000 1.064 85 M CA 1.475 56.468 55.300 -0.512 0.000 1.093 85 M CB -0.600 31.556 32.600 -0.740 0.000 1.401 85 M HN 0.009 nan 8.290 nan 0.000 0.440 86 W N 1.063 122.328 121.300 -0.058 0.000 2.942 86 W HA 0.229 4.908 4.660 0.032 0.000 0.263 86 W C 0.644 177.126 176.519 -0.062 0.000 1.296 86 W CA -0.975 56.337 57.345 -0.056 0.000 1.504 86 W CB -0.127 29.368 29.460 0.057 0.000 1.096 86 W HN 0.125 nan 8.180 nan 0.000 0.639 87 N N 1.416 120.186 118.700 0.117 0.000 2.482 87 N HA 0.109 4.868 4.740 0.033 0.000 0.260 87 N C -2.431 173.049 175.510 -0.050 0.000 1.236 87 N CA -1.305 51.772 53.050 0.046 0.000 0.938 87 N CB 0.061 38.564 38.487 0.027 0.000 1.128 87 N HN -0.337 nan 8.380 nan 0.000 0.448 88 P HA 0.047 nan 4.420 nan 0.000 0.264 88 P C 0.206 177.435 177.300 -0.118 0.000 1.193 88 P CA 0.058 63.086 63.100 -0.120 0.000 0.763 88 P CB 0.290 31.913 31.700 -0.130 0.000 0.810 89 N N 2.555 121.171 118.700 -0.139 0.000 2.234 89 N HA 0.086 4.846 4.740 0.033 0.000 0.227 89 N C 0.093 175.547 175.510 -0.093 0.000 1.151 89 N CA -0.060 52.917 53.050 -0.121 0.000 0.865 89 N CB 0.373 38.773 38.487 -0.145 0.000 1.066 89 N HN 0.154 nan 8.380 nan 0.000 0.515 90 R N -0.155 120.289 120.500 -0.094 0.000 2.831 90 R HA 0.298 4.657 4.340 0.033 0.000 0.266 90 R C -0.519 175.739 176.300 -0.069 0.000 1.051 90 R CA -0.629 55.432 56.100 -0.066 0.000 0.943 90 R CB 0.599 30.866 30.300 -0.054 0.000 1.228 90 R HN 0.094 nan 8.270 nan 0.000 0.467 91 E N 1.766 121.935 120.200 -0.051 0.000 2.529 91 E HA 0.006 4.376 4.350 0.033 0.000 0.259 91 E C -0.031 176.539 176.600 -0.050 0.000 0.966 91 E CA 0.330 56.704 56.400 -0.043 0.000 0.937 91 E CB 0.303 29.986 29.700 -0.028 0.000 0.923 91 E HN 0.266 nan 8.360 nan 0.000 0.468 92 L N 2.272 123.458 121.223 -0.062 0.000 2.397 92 L HA 0.176 4.535 4.340 0.033 0.000 0.271 92 L C 0.714 177.626 176.870 0.070 0.000 1.148 92 L CA 0.132 54.924 54.840 -0.079 0.000 0.825 92 L CB 0.704 42.593 42.059 -0.284 0.000 1.117 92 L HN 0.435 nan 8.230 nan 0.000 0.456 93 S N 1.142 116.896 115.700 0.090 0.000 2.560 93 S HA 0.141 4.631 4.470 0.033 0.000 0.283 93 S C 0.216 174.807 174.600 -0.016 0.000 1.141 93 S CA -0.750 57.495 58.200 0.075 0.000 0.902 93 S CB 1.343 64.558 63.200 0.026 0.000 1.104 93 S HN 0.758 nan 8.310 nan 0.000 0.454 94 E N 1.327 121.457 120.200 -0.117 0.000 2.267 94 E HA -0.123 4.246 4.350 0.033 0.000 0.197 94 E C -0.123 176.400 176.600 -0.128 0.000 0.998 94 E CA 0.834 57.107 56.400 -0.211 0.000 0.830 94 E CB 0.044 29.594 29.700 -0.250 0.000 0.751 94 E HN 0.609 nan 8.360 nan 0.000 0.491 95 D N 0.125 120.485 120.400 -0.066 0.000 2.422 95 D HA -0.001 4.659 4.640 0.033 0.000 0.227 95 D C 0.155 176.498 176.300 0.073 0.000 1.190 95 D CA -0.282 53.703 54.000 -0.026 0.000 0.905 95 D CB 0.177 40.986 40.800 0.017 0.000 1.034 95 D HN 0.132 nan 8.370 nan 0.000 0.507 96 c N 2.577 121.168 118.600 -0.016 0.000 4.015 96 c HA 0.334 4.924 4.570 0.033 0.000 0.323 96 c C 0.806 174.856 174.090 -0.067 0.000 1.724 96 c CA -0.604 55.779 56.329 0.091 0.000 1.828 96 c CB -1.170 41.359 42.510 0.031 0.000 3.083 96 c HN 0.468 nan 8.230 nan 0.000 0.640 97 L N 2.526 123.434 121.223 -0.526 0.000 2.382 97 L HA 0.326 4.685 4.340 0.033 0.000 0.259 97 L C -0.971 175.145 176.870 -1.257 0.000 1.291 97 L CA 0.678 55.008 54.840 -0.850 0.000 1.176 97 L CB -0.921 40.531 42.059 -1.011 0.000 1.373 97 L HN 0.377 nan 8.230 nan 0.000 0.426 98 Y N 1.675 121.910 120.300 -0.107 0.000 2.477 98 Y HA 0.600 5.169 4.550 0.032 0.000 0.347 98 Y C -0.008 176.086 175.900 0.325 0.000 0.981 98 Y CA -1.275 56.863 58.100 0.064 0.000 1.033 98 Y CB 1.944 40.404 38.460 -0.002 0.000 1.245 98 Y HN 0.193 nan 8.280 nan 0.000 0.455 99 L N 0.324 121.763 121.223 0.360 0.000 2.286 99 L HA 0.795 5.155 4.340 0.033 0.000 0.265 99 L C -1.101 175.796 176.870 0.046 0.000 1.012 99 L CA -1.120 53.799 54.840 0.132 0.000 0.818 99 L CB 1.614 43.568 42.059 -0.175 0.000 1.337 99 L HN 0.498 nan 8.230 nan 0.000 0.438 100 N N 0.012 118.741 118.700 0.049 0.000 2.225 100 N HA 0.649 5.409 4.740 0.033 0.000 0.298 100 N C -1.553 173.915 175.510 -0.069 0.000 1.076 100 N CA -0.475 52.532 53.050 -0.072 0.000 0.792 100 N CB 2.777 41.186 38.487 -0.130 0.000 1.498 100 N HN 0.488 nan 8.380 nan 0.000 0.474 101 V N 1.271 121.100 119.914 -0.143 0.000 2.444 101 V HA 0.424 4.563 4.120 0.033 0.000 0.294 101 V C -0.581 175.541 176.094 0.046 0.000 1.022 101 V CA -0.794 61.492 62.300 -0.023 0.000 0.850 101 V CB 1.827 33.452 31.823 -0.331 0.000 0.992 101 V HN 0.555 nan 8.190 nan 0.000 0.426 102 W N 3.104 124.527 121.300 0.205 0.000 2.469 102 W HA 0.658 5.338 4.660 0.033 0.000 0.320 102 W C 0.272 176.925 176.519 0.222 0.000 1.086 102 W CA -0.393 57.077 57.345 0.207 0.000 1.211 102 W CB 2.308 31.857 29.460 0.148 0.000 1.298 102 W HN 0.639 nan 8.180 nan 0.000 0.525 103 T N 0.192 115.025 114.554 0.465 0.000 2.903 103 T HA 0.452 4.822 4.350 0.033 0.000 0.299 103 T C -2.709 172.181 174.700 0.316 0.000 1.093 103 T CA -2.337 59.982 62.100 0.366 0.000 1.002 103 T CB 2.288 71.383 68.868 0.378 0.000 1.127 103 T HN 0.028 nan 8.240 nan 0.000 0.488 104 P HA 0.078 nan 4.420 nan 0.000 0.266 104 P C -1.411 176.034 177.300 0.241 0.000 1.193 104 P CA 0.018 63.244 63.100 0.210 0.000 0.770 104 P CB 0.125 31.914 31.700 0.149 0.000 0.836 105 Y N 4.602 124.960 120.300 0.098 0.000 2.326 105 Y HA 0.376 4.945 4.550 0.032 0.000 0.331 105 Y C -2.010 173.925 175.900 0.059 0.000 0.962 105 Y CA -2.549 55.600 58.100 0.081 0.000 1.167 105 Y CB 1.372 39.870 38.460 0.063 0.000 1.148 105 Y HN 0.303 nan 8.280 nan 0.000 0.463 106 P HA 0.098 nan 4.420 nan 0.000 0.272 106 P C -1.115 176.126 177.300 -0.097 0.000 1.223 106 P CA -0.389 62.502 63.100 -0.348 0.000 0.784 106 P CB 0.877 32.436 31.700 -0.234 0.000 0.923 107 R N 2.213 122.667 120.500 -0.076 0.000 2.401 107 R HA 0.266 4.625 4.340 0.033 0.000 0.299 107 R C -2.057 174.266 176.300 0.039 0.000 1.064 107 R CA -1.533 54.597 56.100 0.051 0.000 1.000 107 R CB -0.965 29.401 30.300 0.110 0.000 0.973 107 R HN 0.301 nan 8.270 nan 0.000 0.438 108 P HA -0.215 nan 4.420 nan 0.000 0.261 108 P C 0.163 177.480 177.300 0.029 0.000 1.133 108 P CA 0.976 64.108 63.100 0.053 0.000 0.756 108 P CB 0.380 32.124 31.700 0.074 0.000 0.726 109 A N 3.427 126.258 122.820 0.018 0.000 1.898 109 A HA -0.025 4.314 4.320 0.033 0.000 0.216 109 A C 1.034 178.622 177.584 0.007 0.000 1.181 109 A CA 1.756 53.796 52.037 0.006 0.000 0.620 109 A CB -0.468 18.534 19.000 0.004 0.000 0.819 109 A HN 0.651 nan 8.150 nan 0.000 0.442 110 S N -1.508 114.199 115.700 0.011 0.000 2.638 110 S HA 0.624 5.114 4.470 0.033 0.000 0.302 110 S C -3.201 171.408 174.600 0.016 0.000 1.096 110 S CA -1.910 56.295 58.200 0.008 0.000 0.953 110 S CB 1.081 64.282 63.200 0.003 0.000 1.107 110 S HN -0.008 nan 8.310 nan 0.000 0.503 111 P HA 0.155 nan 4.420 nan 0.000 0.258 111 P C -0.626 176.685 177.300 0.018 0.000 1.187 111 P CA 0.409 63.519 63.100 0.017 0.000 0.767 111 P CB -0.167 31.534 31.700 0.003 0.000 0.770 112 T N 6.643 121.219 114.554 0.037 0.000 2.837 112 T HA 0.331 4.700 4.350 0.033 0.000 0.285 112 T C -2.253 172.467 174.700 0.034 0.000 0.984 112 T CA -1.713 60.410 62.100 0.038 0.000 1.049 112 T CB 0.396 69.303 68.868 0.065 0.000 0.947 112 T HN 0.236 nan 8.240 nan 0.000 0.472 113 P HA 0.057 nan 4.420 nan 0.000 0.263 113 P C -0.720 176.609 177.300 0.048 0.000 1.175 113 P CA -0.078 63.028 63.100 0.009 0.000 0.761 113 P CB 0.313 32.000 31.700 -0.021 0.000 0.794 114 V N 4.535 124.492 119.914 0.072 0.000 2.483 114 V HA 0.296 4.436 4.120 0.033 0.000 0.295 114 V C 0.482 176.654 176.094 0.129 0.000 1.035 114 V CA -0.640 61.729 62.300 0.115 0.000 0.896 114 V CB 1.293 33.196 31.823 0.133 0.000 0.986 114 V HN 0.304 nan 8.190 nan 0.000 0.447 115 L N 5.551 126.870 121.223 0.159 0.000 2.307 115 L HA 0.577 4.936 4.340 0.033 0.000 0.284 115 L C -0.338 176.777 176.870 0.408 0.000 1.023 115 L CA 0.102 55.069 54.840 0.212 0.000 0.810 115 L CB 1.490 43.563 42.059 0.024 0.000 1.231 115 L HN 0.473 nan 8.230 nan 0.000 0.423 116 I N 2.660 123.496 120.570 0.444 0.000 2.355 116 I HA 0.221 4.411 4.170 0.033 0.000 0.288 116 I C -0.676 175.680 176.117 0.399 0.000 0.999 116 I CA -0.511 61.009 61.300 0.367 0.000 1.163 116 I CB 1.116 39.205 38.000 0.148 0.000 1.316 116 I HN 0.635 nan 8.210 nan 0.000 0.454 117 W N 8.245 129.610 121.300 0.108 0.000 2.313 117 W HA 0.625 5.304 4.660 0.032 0.000 0.328 117 W C -1.532 174.845 176.519 -0.237 0.000 1.197 117 W CA -0.576 56.582 57.345 -0.312 0.000 1.235 117 W CB 1.259 30.564 29.460 -0.258 0.000 1.158 117 W HN 0.345 nan 8.180 nan 0.000 0.578 118 I N 7.715 127.504 120.570 -1.302 0.000 2.468 118 I HA 0.074 4.263 4.170 0.033 0.000 0.284 118 I C -0.522 174.717 176.117 -1.464 0.000 1.038 118 I CA -1.055 59.589 61.300 -1.094 0.000 1.083 118 I CB 1.180 38.710 38.000 -0.783 0.000 1.223 118 I HN 0.290 nan 8.210 nan 0.000 0.443 119 Y N 4.498 124.325 120.300 -0.789 0.000 2.457 119 Y HA 0.663 5.232 4.550 0.032 0.000 0.341 119 Y C 0.900 176.607 175.900 -0.321 0.000 1.240 119 Y CA -0.666 57.109 58.100 -0.541 0.000 1.437 119 Y CB -0.092 38.288 38.460 -0.132 0.000 1.328 119 Y HN 0.549 nan 8.280 nan 0.000 0.588 120 G N -0.171 108.610 108.800 -0.031 0.000 2.546 120 G HA2 0.430 4.410 3.960 0.033 0.000 0.239 120 G HA3 0.430 4.410 3.960 0.033 0.000 0.239 120 G C 0.594 175.439 174.900 -0.092 0.000 1.476 120 G CA -0.754 44.265 45.100 -0.135 0.000 1.064 120 G HN 1.816 nan 8.290 nan 0.000 0.561 121 G N -2.875 105.725 108.800 -0.333 0.000 2.145 121 G HA2 0.340 4.319 3.960 0.033 0.000 0.145 121 G HA3 0.340 4.319 3.960 0.033 0.000 0.145 121 G C 1.249 175.627 174.900 -0.870 0.000 1.017 121 G CA 0.728 45.518 45.100 -0.516 0.000 0.682 121 G HN 2.349 nan 8.290 nan 0.000 0.504 122 G N -0.546 107.787 108.800 -0.778 0.000 2.269 122 G HA2 -0.099 3.881 3.960 0.033 0.000 0.277 122 G HA3 -0.099 3.881 3.960 0.033 0.000 0.277 122 G C 0.879 175.407 174.900 -0.619 0.000 1.008 122 G CA 0.882 45.458 45.100 -0.874 0.000 0.774 122 G HN 1.852 nan 8.290 nan 0.000 0.511 123 F N -3.430 116.316 119.950 -0.340 0.000 2.953 123 F HA -0.300 4.246 4.527 0.032 0.000 0.292 123 F C 1.367 177.188 175.800 0.035 0.000 0.747 123 F CA 2.027 59.952 58.000 -0.125 0.000 1.222 123 F CB -2.154 36.613 39.000 -0.389 0.000 1.457 123 F HN 0.909 nan 8.300 nan 0.000 0.383 124 Y N -1.651 118.681 120.300 0.054 0.000 2.499 124 Y HA 0.652 5.221 4.550 0.032 0.000 0.253 124 Y C 0.538 176.537 175.900 0.166 0.000 1.105 124 Y CA 0.141 58.311 58.100 0.117 0.000 1.240 124 Y CB -0.076 38.393 38.460 0.014 0.000 1.289 124 Y HN 0.066 nan 8.280 nan 0.000 0.534 125 S N -0.584 114.982 115.700 -0.222 0.000 2.705 125 S HA 0.905 5.395 4.470 0.033 0.000 0.280 125 S C -0.092 174.407 174.600 -0.169 0.000 1.174 125 S CA -0.598 57.536 58.200 -0.109 0.000 0.823 125 S CB 1.563 64.712 63.200 -0.084 0.000 1.162 125 S HN 1.385 nan 8.310 nan 0.000 0.487 126 G N -0.795 107.863 108.800 -0.237 0.000 2.539 126 G HA2 0.523 4.502 3.960 0.033 0.000 0.686 126 G HA3 0.523 4.502 3.960 0.033 0.000 0.686 126 G C -0.662 173.566 174.900 -1.120 0.000 1.258 126 G CA -0.210 44.570 45.100 -0.534 0.000 0.846 126 G HN 2.053 nan 8.290 nan 0.000 0.647 127 A N -0.450 121.655 122.820 -1.191 0.000 2.574 127 A HA 1.029 5.369 4.320 0.033 0.000 0.297 127 A C 0.782 178.164 177.584 -0.337 0.000 1.062 127 A CA 0.521 52.064 52.037 -0.824 0.000 0.686 127 A CB 1.188 19.958 19.000 -0.383 0.000 1.285 127 A HN 2.580 nan 8.150 nan 0.000 0.403 128 A N 0.514 123.371 122.820 0.061 0.000 2.168 128 A HA 0.149 4.489 4.320 0.033 0.000 0.215 128 A C 1.768 179.384 177.584 0.054 0.000 1.152 128 A CA 2.011 54.259 52.037 0.351 0.000 0.716 128 A CB -0.553 18.696 19.000 0.414 0.000 0.794 128 A HN 1.780 nan 8.150 nan 0.000 0.465 129 S N -0.869 114.609 115.700 -0.370 0.000 2.575 129 S HA 0.351 4.840 4.470 0.033 0.000 0.215 129 S C 0.475 174.674 174.600 -0.667 0.000 0.966 129 S CA -0.471 57.057 58.200 -1.121 0.000 0.911 129 S CB -0.534 61.953 63.200 -1.188 0.000 0.780 129 S HN 0.365 nan 8.310 nan 0.000 0.514 130 L N 1.980 122.954 121.223 -0.415 0.000 2.473 130 L HA 0.168 4.528 4.340 0.033 0.000 0.268 130 L C 1.297 177.862 176.870 -0.509 0.000 1.215 130 L CA -0.383 54.155 54.840 -0.503 0.000 0.823 130 L CB 0.276 41.896 42.059 -0.732 0.000 1.099 130 L HN 0.074 nan 8.230 nan 0.000 0.483 131 D N 0.531 120.664 120.400 -0.444 0.000 2.144 131 D HA -0.126 4.533 4.640 0.033 0.000 0.200 131 D C 1.898 177.946 176.300 -0.420 0.000 0.978 131 D CA 1.209 55.015 54.000 -0.324 0.000 0.833 131 D CB 0.035 40.680 40.800 -0.258 0.000 0.961 131 D HN 0.464 nan 8.370 nan 0.000 0.470 132 V N -1.309 118.212 119.914 -0.655 0.000 3.444 132 V HA -0.103 4.036 4.120 0.033 0.000 0.271 132 V C 0.676 176.192 176.094 -0.964 0.000 1.188 132 V CA 0.854 62.740 62.300 -0.690 0.000 1.168 132 V CB -1.209 30.201 31.823 -0.687 0.000 0.810 132 V HN 0.066 nan 8.190 nan 0.000 0.500 133 Y N -0.103 119.643 120.300 -0.923 0.000 2.681 133 Y HA 0.485 5.054 4.550 0.032 0.000 0.267 133 Y C 0.702 175.993 175.900 -1.015 0.000 1.166 133 Y CA -2.208 54.909 58.100 -1.638 0.000 1.209 133 Y CB -0.699 37.123 38.460 -1.064 0.000 1.161 133 Y HN 0.189 nan 8.280 nan 0.000 0.534 134 D N 1.035 121.122 120.400 -0.520 0.000 2.434 134 D HA 0.054 4.714 4.640 0.033 0.000 0.252 134 D C 1.317 177.258 176.300 -0.599 0.000 1.185 134 D CA 0.544 54.300 54.000 -0.408 0.000 0.886 134 D CB 1.436 42.136 40.800 -0.165 0.000 1.148 134 D HN 0.507 nan 8.370 nan 0.000 0.483 135 G N 4.150 111.975 108.800 -1.625 0.000 3.088 135 G HA2 -0.136 3.844 3.960 0.033 0.000 0.212 135 G HA3 -0.136 3.844 3.960 0.033 0.000 0.212 135 G C 1.490 175.794 174.900 -0.994 0.000 1.173 135 G CA -0.001 44.322 45.100 -1.296 0.000 0.779 135 G HN 0.571 nan 8.290 nan 0.000 0.540 136 R N -0.143 119.750 120.500 -1.011 0.000 2.066 136 R HA -0.053 4.307 4.340 0.033 0.000 0.232 136 R C 1.715 177.762 176.300 -0.422 0.000 1.131 136 R CA 1.276 57.015 56.100 -0.602 0.000 0.955 136 R CB -0.823 29.121 30.300 -0.593 0.000 0.851 136 R HN 0.305 nan 8.270 nan 0.000 0.432 137 F N 1.757 121.633 119.950 -0.123 0.000 2.075 137 F HA -0.027 4.520 4.527 0.033 0.000 0.297 137 F C 2.561 178.317 175.800 -0.074 0.000 1.113 137 F CA 0.899 58.849 58.000 -0.082 0.000 1.218 137 F CB -0.886 38.056 39.000 -0.098 0.000 0.984 137 F HN -0.123 nan 8.300 nan 0.000 0.472 138 L N -0.122 121.162 121.223 0.101 0.000 2.189 138 L HA -0.261 4.098 4.340 0.033 0.000 0.214 138 L C 2.588 179.480 176.870 0.036 0.000 1.097 138 L CA 1.112 55.962 54.840 0.016 0.000 0.764 138 L CB -0.772 41.250 42.059 -0.061 0.000 0.900 138 L HN 0.252 nan 8.230 nan 0.000 0.436 139 A N -1.404 121.443 122.820 0.045 0.000 1.898 139 A HA -0.169 4.171 4.320 0.033 0.000 0.214 139 A C 2.243 179.885 177.584 0.096 0.000 1.183 139 A CA 0.918 53.018 52.037 0.104 0.000 0.622 139 A CB -0.348 18.762 19.000 0.183 0.000 0.824 139 A HN 0.325 nan 8.150 nan 0.000 0.444 140 Q N 0.217 120.059 119.800 0.071 0.000 1.990 140 Q HA -0.096 4.264 4.340 0.033 0.000 0.200 140 Q C 2.162 178.205 176.000 0.072 0.000 0.980 140 Q CA 2.231 58.079 55.803 0.075 0.000 0.832 140 Q CB -0.449 28.322 28.738 0.055 0.000 0.897 140 Q HN 0.385 nan 8.270 nan 0.000 0.427 141 V N 1.184 121.140 119.914 0.070 0.000 2.667 141 V HA -0.108 4.032 4.120 0.033 0.000 0.252 141 V C 1.544 177.660 176.094 0.036 0.000 1.065 141 V CA 1.566 63.898 62.300 0.053 0.000 1.083 141 V CB -0.175 31.678 31.823 0.051 0.000 0.692 141 V HN 0.255 nan 8.190 nan 0.000 0.468 142 E N -0.524 119.698 120.200 0.037 0.000 2.562 142 E HA 0.234 4.603 4.350 0.033 0.000 0.214 142 E C 1.531 178.155 176.600 0.039 0.000 0.979 142 E CA 0.640 57.056 56.400 0.027 0.000 1.002 142 E CB 0.845 30.552 29.700 0.011 0.000 1.048 142 E HN 0.542 nan 8.360 nan 0.000 0.488 143 G N 2.142 110.977 108.800 0.057 0.000 2.305 143 G HA2 -0.293 3.686 3.960 0.033 0.000 0.287 143 G HA3 -0.293 3.686 3.960 0.033 0.000 0.287 143 G C 0.368 175.314 174.900 0.077 0.000 1.036 143 G CA 0.516 45.659 45.100 0.072 0.000 0.887 143 G HN 0.405 nan 8.290 nan 0.000 0.505 144 A N -0.684 122.185 122.820 0.081 0.000 2.310 144 A HA 0.757 5.097 4.320 0.033 0.000 0.299 144 A C 0.473 178.141 177.584 0.140 0.000 1.147 144 A CA -0.279 51.811 52.037 0.087 0.000 0.818 144 A CB 1.471 20.505 19.000 0.056 0.000 1.096 144 A HN 1.104 nan 8.150 nan 0.000 0.495 145 V N 3.255 123.257 119.914 0.147 0.000 2.427 145 V HA 0.235 4.374 4.120 0.033 0.000 0.268 145 V C 0.044 176.269 176.094 0.219 0.000 1.046 145 V CA 0.180 62.595 62.300 0.192 0.000 0.970 145 V CB 0.418 32.338 31.823 0.161 0.000 1.001 145 V HN 0.703 nan 8.190 nan 0.000 0.476 146 L N 6.695 128.104 121.223 0.309 0.000 2.333 146 L HA 0.703 5.063 4.340 0.033 0.000 0.280 146 L C -0.736 176.430 176.870 0.494 0.000 1.004 146 L CA -0.297 54.775 54.840 0.387 0.000 0.820 146 L CB 1.756 44.034 42.059 0.365 0.000 1.247 146 L HN 0.424 nan 8.230 nan 0.000 0.416 147 V N 3.398 123.574 119.914 0.436 0.000 2.555 147 V HA 0.681 4.821 4.120 0.033 0.000 0.302 147 V C -0.232 176.130 176.094 0.447 0.000 1.038 147 V CA -0.406 62.119 62.300 0.376 0.000 0.887 147 V CB 1.863 33.828 31.823 0.237 0.000 0.991 147 V HN 0.873 nan 8.190 nan 0.000 0.434 148 S N 5.167 121.139 115.700 0.454 0.000 2.548 148 S HA 0.902 5.392 4.470 0.033 0.000 0.286 148 S C -0.800 173.968 174.600 0.280 0.000 1.098 148 S CA -0.836 57.619 58.200 0.426 0.000 0.930 148 S CB 2.364 65.941 63.200 0.627 0.000 1.070 148 S HN 0.858 nan 8.310 nan 0.000 0.480 149 M N 1.242 120.967 119.600 0.210 0.000 2.591 149 M HA 0.634 5.133 4.480 0.033 0.000 0.306 149 M C -1.819 174.711 176.300 0.384 0.000 1.190 149 M CA -0.569 54.849 55.300 0.197 0.000 0.889 149 M CB 1.315 33.857 32.600 -0.096 0.000 1.728 149 M HN 0.558 nan 8.290 nan 0.000 0.458 150 N N 2.630 121.611 118.700 0.469 0.000 2.529 150 N HA 0.553 5.313 4.740 0.033 0.000 0.278 150 N C -1.345 174.453 175.510 0.480 0.000 1.146 150 N CA 0.137 53.489 53.050 0.503 0.000 0.980 150 N CB 0.547 39.232 38.487 0.331 0.000 1.124 150 N HN 0.718 nan 8.380 nan 0.000 0.458 151 Y N -1.870 118.587 120.300 0.261 0.000 2.545 151 Y HA 0.547 5.116 4.550 0.032 0.000 0.348 151 Y C 0.019 176.018 175.900 0.166 0.000 1.002 151 Y CA -1.354 56.839 58.100 0.156 0.000 1.039 151 Y CB 0.858 39.337 38.460 0.033 0.000 1.271 151 Y HN 0.209 nan 8.280 nan 0.000 0.467 152 R N 1.972 122.544 120.500 0.120 0.000 2.522 152 R HA 0.425 4.785 4.340 0.033 0.000 0.284 152 R C -0.207 176.133 176.300 0.067 0.000 1.032 152 R CA 0.016 56.136 56.100 0.034 0.000 1.049 152 R CB 0.584 30.887 30.300 0.004 0.000 0.956 152 R HN 0.733 nan 8.270 nan 0.000 0.422 153 V N 0.371 120.378 119.914 0.154 0.000 3.166 153 V HA 0.890 5.029 4.120 0.033 0.000 0.317 153 V C 0.779 177.144 176.094 0.450 0.000 1.136 153 V CA 0.001 62.510 62.300 0.348 0.000 1.035 153 V CB 1.273 33.231 31.823 0.225 0.000 1.110 153 V HN 0.963 nan 8.190 nan 0.000 0.450 154 G N 1.989 111.101 108.800 0.520 0.000 2.566 154 G HA2 -0.318 3.662 3.960 0.033 0.000 0.280 154 G HA3 -0.318 3.662 3.960 0.033 0.000 0.280 154 G C 1.065 176.100 174.900 0.224 0.000 1.225 154 G CA 1.461 46.801 45.100 0.401 0.000 0.966 154 G HN 2.432 nan 8.290 nan 0.000 0.560 155 T N -1.833 112.625 114.554 -0.161 0.000 2.881 155 T HA 0.050 4.419 4.350 0.033 0.000 0.270 155 T C 2.131 176.707 174.700 -0.205 0.000 1.068 155 T CA 2.385 64.130 62.100 -0.591 0.000 1.131 155 T CB -0.328 68.027 68.868 -0.855 0.000 0.871 155 T HN 0.551 nan 8.240 nan 0.000 0.479 156 F N 1.721 121.727 119.950 0.093 0.000 2.325 156 F HA 0.313 4.860 4.527 0.032 0.000 0.299 156 F C 2.616 178.421 175.800 0.008 0.000 1.090 156 F CA 0.652 58.690 58.000 0.063 0.000 1.392 156 F CB -0.499 38.496 39.000 -0.008 0.000 1.053 156 F HN 0.386 nan 8.300 nan 0.000 0.521 157 G N -2.170 106.696 108.800 0.111 0.000 2.784 157 G HA2 0.066 4.045 3.960 0.033 0.000 0.208 157 G HA3 0.066 4.045 3.960 0.033 0.000 0.208 157 G C 0.839 175.311 174.900 -0.713 0.000 1.120 157 G CA 0.170 45.080 45.100 -0.316 0.000 0.774 157 G HN 0.305 nan 8.290 nan 0.000 0.528 158 F N -0.467 119.552 119.950 0.114 0.000 2.915 158 F HA 0.434 4.981 4.527 0.033 0.000 0.347 158 F C 0.487 176.330 175.800 0.071 0.000 1.104 158 F CA -0.982 57.059 58.000 0.068 0.000 1.126 158 F CB 0.434 39.475 39.000 0.068 0.000 1.145 158 F HN -0.088 nan 8.300 nan 0.000 0.541 159 L N 2.254 123.506 121.223 0.048 0.000 2.597 159 L HA 0.493 4.852 4.340 0.033 0.000 0.271 159 L C 0.092 176.903 176.870 -0.097 0.000 1.157 159 L CA -0.041 54.722 54.840 -0.128 0.000 0.928 159 L CB 0.033 41.701 42.059 -0.652 0.000 1.216 159 L HN 0.126 nan 8.230 nan 0.000 0.481 160 A N 6.230 129.062 122.820 0.020 0.000 2.355 160 A HA 0.695 5.035 4.320 0.033 0.000 0.324 160 A C -0.764 176.797 177.584 -0.039 0.000 1.117 160 A CA -0.640 51.386 52.037 -0.019 0.000 0.785 160 A CB 1.248 20.264 19.000 0.026 0.000 1.254 160 A HN 0.747 nan 8.150 nan 0.000 0.453 161 L N 2.844 124.032 121.223 -0.057 0.000 2.506 161 L HA 0.284 4.644 4.340 0.033 0.000 0.247 161 L C -2.431 174.427 176.870 -0.020 0.000 1.141 161 L CA -1.778 53.037 54.840 -0.041 0.000 0.973 161 L CB 1.323 43.346 42.059 -0.060 0.000 1.319 161 L HN 0.434 nan 8.230 nan 0.000 0.455 162 P HA 0.009 nan 4.420 nan 0.000 0.264 162 P C 0.996 178.297 177.300 0.002 0.000 1.179 162 P CA 0.970 64.070 63.100 0.001 0.000 0.763 162 P CB 0.787 32.488 31.700 0.002 0.000 0.806 163 G N 1.398 110.203 108.800 0.008 0.000 2.253 163 G HA2 -0.261 3.719 3.960 0.033 0.000 0.251 163 G HA3 -0.261 3.719 3.960 0.033 0.000 0.251 163 G C 0.491 175.396 174.900 0.008 0.000 0.998 163 G CA 0.363 45.468 45.100 0.009 0.000 0.621 163 G HN 0.840 nan 8.290 nan 0.000 0.524 164 S N -0.456 115.247 115.700 0.005 0.000 2.624 164 S HA 0.602 5.092 4.470 0.033 0.000 0.263 164 S C 1.211 175.819 174.600 0.014 0.000 1.287 164 S CA 0.474 58.677 58.200 0.005 0.000 0.990 164 S CB 1.827 65.025 63.200 -0.003 0.000 0.950 164 S HN 0.446 nan 8.310 nan 0.000 0.561 165 R N 0.236 120.746 120.500 0.017 0.000 2.189 165 R HA 0.043 4.403 4.340 0.033 0.000 0.203 165 R C 1.217 177.536 176.300 0.032 0.000 1.012 165 R CA 0.876 56.990 56.100 0.024 0.000 1.015 165 R CB -0.044 30.269 30.300 0.022 0.000 0.938 165 R HN 0.906 nan 8.270 nan 0.000 0.472 166 E N -0.640 119.579 120.200 0.032 0.000 2.481 166 E HA 0.114 4.483 4.350 0.033 0.000 0.198 166 E C -0.530 176.113 176.600 0.072 0.000 1.027 166 E CA 0.096 56.527 56.400 0.052 0.000 0.900 166 E CB 1.221 30.952 29.700 0.052 0.000 0.993 166 E HN 0.164 nan 8.360 nan 0.000 0.482 167 A N 2.395 125.237 122.820 0.036 0.000 3.044 167 A HA 0.349 4.689 4.320 0.033 0.000 0.289 167 A C -2.460 175.124 177.584 0.000 0.000 1.236 167 A CA -0.824 51.224 52.037 0.018 0.000 0.871 167 A CB 0.923 19.864 19.000 -0.100 0.000 1.424 167 A HN -0.051 nan 8.150 nan 0.000 0.564 168 P HA 0.261 nan 4.420 nan 0.000 0.255 168 P C 0.868 178.183 177.300 0.025 0.000 1.248 168 P CA 1.300 64.415 63.100 0.025 0.000 0.807 168 P CB 0.217 31.940 31.700 0.039 0.000 1.150 169 G N 1.341 110.153 108.800 0.019 0.000 2.787 169 G HA2 -0.222 3.758 3.960 0.033 0.000 0.685 169 G HA3 -0.222 3.758 3.960 0.033 0.000 0.685 169 G C -0.034 174.869 174.900 0.006 0.000 1.437 169 G CA -0.246 44.869 45.100 0.024 0.000 0.872 169 G HN 0.186 nan 8.290 nan 0.000 0.566 170 N N -2.406 116.302 118.700 0.013 0.000 2.829 170 N HA -0.258 4.501 4.740 0.033 0.000 0.250 170 N C 1.714 177.099 175.510 -0.209 0.000 1.090 170 N CA 2.288 55.294 53.050 -0.072 0.000 0.781 170 N CB -1.703 36.658 38.487 -0.211 0.000 1.124 170 N HN 1.846 nan 8.380 nan 0.000 0.559 171 V N -2.988 116.795 119.914 -0.219 0.000 2.548 171 V HA 0.057 4.197 4.120 0.033 0.000 0.249 171 V C 2.371 178.328 176.094 -0.228 0.000 1.055 171 V CA 2.156 64.357 62.300 -0.164 0.000 1.065 171 V CB -0.865 30.910 31.823 -0.079 0.000 0.681 171 V HN 0.262 nan 8.190 nan 0.000 0.462 172 G N 0.519 108.983 108.800 -0.560 0.000 2.450 172 G HA2 -0.145 3.834 3.960 0.033 0.000 0.220 172 G HA3 -0.145 3.834 3.960 0.033 0.000 0.220 172 G C 1.547 176.421 174.900 -0.043 0.000 1.130 172 G CA 1.205 46.073 45.100 -0.388 0.000 0.760 172 G HN 0.539 nan 8.290 nan 0.000 0.557 173 L N -0.501 120.649 121.223 -0.120 0.000 2.179 173 L HA 0.170 4.529 4.340 0.033 0.000 0.208 173 L C 2.746 179.586 176.870 -0.049 0.000 1.096 173 L CA 0.166 54.893 54.840 -0.189 0.000 0.779 173 L CB -0.219 41.415 42.059 -0.709 0.000 0.922 173 L HN 0.173 nan 8.230 nan 0.000 0.443 174 L N -0.462 120.741 121.223 -0.033 0.000 2.156 174 L HA -0.181 4.179 4.340 0.033 0.000 0.208 174 L C 2.162 179.137 176.870 0.174 0.000 1.095 174 L CA 0.816 55.743 54.840 0.147 0.000 0.770 174 L CB -0.444 41.688 42.059 0.122 0.000 0.914 174 L HN 0.240 nan 8.230 nan 0.000 0.439 175 D N -0.040 120.453 120.400 0.154 0.000 2.103 175 D HA -0.243 4.417 4.640 0.033 0.000 0.190 175 D C 2.207 178.632 176.300 0.208 0.000 0.997 175 D CA 1.346 55.512 54.000 0.276 0.000 0.833 175 D CB -0.305 40.667 40.800 0.287 0.000 0.961 175 D HN 0.365 nan 8.370 nan 0.000 0.447 176 Q N 0.109 119.964 119.800 0.093 0.000 2.045 176 Q HA -0.212 4.148 4.340 0.033 0.000 0.206 176 Q C 2.330 178.301 176.000 -0.047 0.000 0.991 176 Q CA 1.516 57.283 55.803 -0.060 0.000 0.851 176 Q CB -0.169 28.525 28.738 -0.074 0.000 0.911 176 Q HN 0.226 nan 8.270 nan 0.000 0.418 177 R N 0.531 121.132 120.500 0.169 0.000 2.094 177 R HA -0.215 4.144 4.340 0.033 0.000 0.239 177 R C 2.244 178.597 176.300 0.089 0.000 1.137 177 R CA 1.497 57.703 56.100 0.177 0.000 0.943 177 R CB -0.392 30.110 30.300 0.337 0.000 0.850 177 R HN 0.240 nan 8.270 nan 0.000 0.433 178 L N 0.758 122.058 121.223 0.127 0.000 2.127 178 L HA -0.098 4.261 4.340 0.033 0.000 0.211 178 L C 2.281 179.179 176.870 0.047 0.000 1.089 178 L CA 2.077 57.013 54.840 0.161 0.000 0.757 178 L CB -0.619 41.621 42.059 0.302 0.000 0.899 178 L HN 0.338 nan 8.230 nan 0.000 0.434 179 A N -0.581 122.062 122.820 -0.295 0.000 1.902 179 A HA -0.167 4.172 4.320 0.033 0.000 0.217 179 A C 2.202 179.743 177.584 -0.071 0.000 1.181 179 A CA 1.893 53.633 52.037 -0.495 0.000 0.623 179 A CB -0.827 17.663 19.000 -0.849 0.000 0.818 179 A HN 0.491 nan 8.150 nan 0.000 0.443 180 L N -1.189 119.988 121.223 -0.077 0.000 2.012 180 L HA -0.292 4.068 4.340 0.033 0.000 0.210 180 L C 2.860 179.779 176.870 0.082 0.000 1.073 180 L CA 1.943 56.783 54.840 -0.000 0.000 0.748 180 L CB -0.870 41.154 42.059 -0.059 0.000 0.891 180 L HN 0.429 nan 8.230 nan 0.000 0.431 181 Q N -0.776 119.084 119.800 0.100 0.000 2.112 181 Q HA -0.278 4.081 4.340 0.033 0.000 0.206 181 Q C 2.043 178.138 176.000 0.158 0.000 0.987 181 Q CA 2.342 58.218 55.803 0.121 0.000 0.858 181 Q CB -0.317 28.502 28.738 0.134 0.000 0.905 181 Q HN 0.539 nan 8.270 nan 0.000 0.420 182 W N -0.442 120.872 121.300 0.023 0.000 2.363 182 W HA -0.199 4.480 4.660 0.032 0.000 0.296 182 W C 1.688 178.236 176.519 0.048 0.000 1.212 182 W CA 1.272 58.651 57.345 0.055 0.000 1.260 182 W CB -0.085 29.411 29.460 0.060 0.000 1.131 182 W HN -0.098 nan 8.180 nan 0.000 0.530 183 V N 0.768 120.832 119.914 0.249 0.000 2.358 183 V HA -0.314 3.825 4.120 0.033 0.000 0.246 183 V C 2.539 178.619 176.094 -0.024 0.000 1.047 183 V CA 1.928 64.292 62.300 0.107 0.000 1.035 183 V CB -1.012 30.924 31.823 0.190 0.000 0.658 183 V HN 0.143 nan 8.190 nan 0.000 0.452 184 Q N 0.200 120.008 119.800 0.013 0.000 2.112 184 Q HA -0.252 4.107 4.340 0.033 0.000 0.206 184 Q C 2.200 178.163 176.000 -0.063 0.000 0.987 184 Q CA 1.971 57.773 55.803 -0.002 0.000 0.858 184 Q CB -0.340 28.409 28.738 0.018 0.000 0.905 184 Q HN 0.734 nan 8.270 nan 0.000 0.420 185 E N -0.557 119.569 120.200 -0.122 0.000 2.216 185 E HA -0.013 4.356 4.350 0.033 0.000 0.192 185 E C 1.288 177.727 176.600 -0.269 0.000 0.988 185 E CA 0.510 56.808 56.400 -0.169 0.000 0.834 185 E CB 0.229 29.835 29.700 -0.157 0.000 0.772 185 E HN 0.335 nan 8.360 nan 0.000 0.479 186 N N -0.240 118.189 118.700 -0.451 0.000 2.239 186 N HA 0.038 4.797 4.740 0.033 0.000 0.208 186 N C 1.433 176.808 175.510 -0.226 0.000 1.200 186 N CA 0.067 52.810 53.050 -0.512 0.000 0.895 186 N CB 0.578 38.374 38.487 -1.151 0.000 1.085 186 N HN 0.035 nan 8.380 nan 0.000 0.500 187 I N 2.390 122.856 120.570 -0.173 0.000 2.493 187 I HA -0.085 4.104 4.170 0.033 0.000 0.254 187 I C 2.212 178.419 176.117 0.151 0.000 1.160 187 I CA 0.548 61.874 61.300 0.044 0.000 1.445 187 I CB -0.175 37.837 38.000 0.019 0.000 1.086 187 I HN 0.044 nan 8.210 nan 0.000 0.433 188 A N 0.610 123.458 122.820 0.046 0.000 1.892 188 A HA -0.256 4.083 4.320 0.033 0.000 0.218 188 A C 2.494 180.092 177.584 0.023 0.000 1.188 188 A CA 2.021 54.076 52.037 0.030 0.000 0.631 188 A CB -1.399 17.593 19.000 -0.014 0.000 0.822 188 A HN 0.491 nan 8.150 nan 0.000 0.447 189 A N -2.004 120.796 122.820 -0.034 0.000 2.194 189 A HA -0.015 4.324 4.320 0.033 0.000 0.220 189 A C 1.602 179.008 177.584 -0.295 0.000 1.162 189 A CA 1.536 53.465 52.037 -0.180 0.000 0.674 189 A CB -0.726 18.100 19.000 -0.289 0.000 0.789 189 A HN 0.533 nan 8.150 nan 0.000 0.470 190 F N -2.039 117.853 119.950 -0.096 0.000 2.721 190 F HA 0.388 4.935 4.527 0.033 0.000 0.301 190 F C 1.828 177.626 175.800 -0.003 0.000 1.096 190 F CA 0.588 58.541 58.000 -0.077 0.000 1.308 190 F CB 0.441 39.391 39.000 -0.083 0.000 1.086 190 F HN 0.328 nan 8.300 nan 0.000 0.587 191 G N 0.119 109.010 108.800 0.152 0.000 2.179 191 G HA2 -0.165 3.815 3.960 0.033 0.000 0.220 191 G HA3 -0.165 3.815 3.960 0.033 0.000 0.220 191 G C 0.699 175.663 174.900 0.106 0.000 0.990 191 G CA -0.355 44.808 45.100 0.105 0.000 0.646 191 G HN 0.682 nan 8.290 nan 0.000 0.517 192 G N -0.310 108.570 108.800 0.134 0.000 2.569 192 G HA2 0.447 4.426 3.960 0.033 0.000 0.249 192 G HA3 0.447 4.426 3.960 0.033 0.000 0.249 192 G C -0.626 174.313 174.900 0.066 0.000 1.216 192 G CA 0.495 45.657 45.100 0.103 0.000 0.845 192 G HN 0.287 nan 8.290 nan 0.000 0.568 193 D N 0.732 121.163 120.400 0.051 0.000 2.392 193 D HA 0.335 4.994 4.640 0.033 0.000 0.228 193 D C -1.203 175.123 176.300 0.043 0.000 1.074 193 D CA -2.379 51.637 54.000 0.026 0.000 0.838 193 D CB 1.931 42.728 40.800 -0.006 0.000 1.067 193 D HN 0.041 nan 8.370 nan 0.000 0.511 194 P HA -0.068 nan 4.420 nan 0.000 0.234 194 P C 1.039 178.446 177.300 0.179 0.000 1.167 194 P CA 0.662 63.821 63.100 0.098 0.000 0.763 194 P CB 0.148 31.884 31.700 0.059 0.000 0.835 195 M N -1.617 118.013 119.600 0.050 0.000 2.495 195 M HA 0.110 4.610 4.480 0.033 0.000 0.237 195 M C 0.867 176.783 176.300 -0.640 0.000 1.131 195 M CA 0.618 55.848 55.300 -0.116 0.000 1.032 195 M CB 0.098 32.635 32.600 -0.104 0.000 1.513 195 M HN -0.151 nan 8.290 nan 0.000 0.488 196 S N 1.086 116.610 115.700 -0.293 0.000 2.569 196 S HA 0.291 4.781 4.470 0.033 0.000 0.215 196 S C -0.554 174.080 174.600 0.056 0.000 1.096 196 S CA -0.376 57.669 58.200 -0.258 0.000 1.183 196 S CB 0.238 63.337 63.200 -0.168 0.000 1.324 196 S HN 0.030 nan 8.310 nan 0.000 0.421 197 V N 3.185 123.320 119.914 0.369 0.000 2.455 197 V HA 0.430 4.569 4.120 0.033 0.000 0.273 197 V C 0.257 176.545 176.094 0.323 0.000 1.045 197 V CA 0.089 62.585 62.300 0.326 0.000 0.976 197 V CB 1.240 33.247 31.823 0.307 0.000 0.993 197 V HN 0.631 nan 8.190 nan 0.000 0.475 198 T N 6.489 121.170 114.554 0.212 0.000 2.812 198 T HA 0.628 4.997 4.350 0.033 0.000 0.282 198 T C -0.452 174.385 174.700 0.230 0.000 0.990 198 T CA -0.508 61.713 62.100 0.201 0.000 0.960 198 T CB 1.226 70.147 68.868 0.089 0.000 0.948 198 T HN 0.328 nan 8.240 nan 0.000 0.438 199 L N 4.504 125.850 121.223 0.205 0.000 2.289 199 L HA 0.737 5.097 4.340 0.033 0.000 0.285 199 L C -0.621 176.445 176.870 0.327 0.000 1.049 199 L CA -0.981 53.942 54.840 0.138 0.000 0.804 199 L CB 0.541 42.461 42.059 -0.232 0.000 1.195 199 L HN 0.660 nan 8.230 nan 0.000 0.428 200 F N 0.665 120.660 119.950 0.074 0.000 2.588 200 F HA 0.984 5.530 4.527 0.032 0.000 0.310 200 F C -0.259 175.485 175.800 -0.093 0.000 1.082 200 F CA -1.684 56.397 58.000 0.136 0.000 0.929 200 F CB 1.688 40.919 39.000 0.386 0.000 1.254 200 F HN 0.449 nan 8.300 nan 0.000 0.455 201 G N 1.273 109.879 108.800 -0.323 0.000 2.632 201 G HA2 0.475 4.455 3.960 0.033 0.000 0.292 201 G HA3 0.475 4.455 3.960 0.033 0.000 0.292 201 G C -2.387 172.238 174.900 -0.458 0.000 1.465 201 G CA -0.752 43.756 45.100 -0.987 0.000 0.824 201 G HN 0.870 nan 8.290 nan 0.000 0.509 205 G N 0.680 109.224 108.800 -0.427 0.000 2.440 205 G HA2 0.085 4.065 3.960 0.033 0.000 0.218 205 G HA3 0.085 4.065 3.960 0.033 0.000 0.218 205 G C 1.674 176.360 174.900 -0.358 0.000 1.154 205 G CA 1.998 46.799 45.100 -0.499 0.000 0.767 205 G HN 1.259 nan 8.290 nan 0.000 0.552 206 A N 1.352 124.040 122.820 -0.220 0.000 1.858 206 A HA 0.224 4.564 4.320 0.033 0.000 0.216 206 A C 2.870 180.416 177.584 -0.065 0.000 1.190 206 A CA 2.487 54.463 52.037 -0.102 0.000 0.617 206 A CB -1.024 17.971 19.000 -0.009 0.000 0.827 206 A HN 0.890 nan 8.150 nan 0.000 0.443 207 A N -0.328 122.483 122.820 -0.016 0.000 1.940 207 A HA -0.119 4.220 4.320 0.033 0.000 0.219 207 A C 2.437 180.018 177.584 -0.005 0.000 1.176 207 A CA 2.311 54.336 52.037 -0.020 0.000 0.631 207 A CB -0.919 18.075 19.000 -0.010 0.000 0.814 207 A HN 0.513 nan 8.150 nan 0.000 0.446 208 S N -0.407 115.288 115.700 -0.008 0.000 2.348 208 S HA -0.138 4.352 4.470 0.033 0.000 0.221 208 S C 1.876 176.492 174.600 0.026 0.000 1.033 208 S CA 1.308 59.494 58.200 -0.023 0.000 1.010 208 S CB -0.747 62.362 63.200 -0.152 0.000 0.891 208 S HN 0.329 nan 8.310 nan 0.000 0.442 209 V N 2.022 121.907 119.914 -0.048 0.000 2.278 209 V HA -0.248 3.892 4.120 0.033 0.000 0.251 209 V C 2.641 178.733 176.094 -0.004 0.000 1.062 209 V CA 2.169 64.433 62.300 -0.060 0.000 1.038 209 V CB -1.528 30.225 31.823 -0.116 0.000 0.646 209 V HN 0.629 nan 8.190 nan 0.000 0.447 210 G N -1.426 107.364 108.800 -0.017 0.000 2.432 210 G HA2 -0.267 3.713 3.960 0.033 0.000 0.219 210 G HA3 -0.267 3.713 3.960 0.033 0.000 0.219 210 G C 1.592 176.502 174.900 0.016 0.000 1.135 210 G CA 1.009 46.102 45.100 -0.012 0.000 0.767 210 G HN 0.463 nan 8.290 nan 0.000 0.550 211 M N -0.129 119.468 119.600 -0.006 0.000 2.296 211 M HA 0.014 4.514 4.480 0.033 0.000 0.265 211 M C 2.212 178.536 176.300 0.040 0.000 1.064 211 M CA 0.842 56.150 55.300 0.012 0.000 1.109 211 M CB -0.211 32.371 32.600 -0.030 0.000 1.396 211 M HN 0.232 nan 8.290 nan 0.000 0.430 212 H N -0.322 118.818 119.070 0.118 0.000 2.462 212 H HA 0.029 4.604 4.556 0.032 0.000 0.292 212 H C 2.067 177.583 175.328 0.313 0.000 1.049 212 H CA 1.244 57.371 56.048 0.132 0.000 1.334 212 H CB -0.076 29.602 29.762 -0.139 0.000 1.404 212 H HN 0.429 nan 8.280 nan 0.000 0.544 213 I N 0.682 121.481 120.570 0.381 0.000 2.315 213 I HA -0.210 3.980 4.170 0.033 0.000 0.248 213 I C 1.832 178.105 176.117 0.260 0.000 1.117 213 I CA 0.978 62.509 61.300 0.384 0.000 1.404 213 I CB -0.023 38.103 38.000 0.211 0.000 1.071 213 I HN 0.118 nan 8.210 nan 0.000 0.419 214 L N -0.699 120.629 121.223 0.175 0.000 2.592 214 L HA 0.114 4.474 4.340 0.033 0.000 0.227 214 L C 0.851 177.750 176.870 0.049 0.000 1.127 214 L CA 0.053 54.979 54.840 0.143 0.000 0.884 214 L CB 0.023 42.146 42.059 0.106 0.000 1.065 214 L HN 0.029 nan 8.230 nan 0.000 0.457 215 S N -0.378 115.320 115.700 -0.005 0.000 2.530 215 S HA 0.302 4.791 4.470 0.033 0.000 0.322 215 S C 0.719 175.243 174.600 -0.127 0.000 1.085 215 S CA -0.604 57.478 58.200 -0.197 0.000 1.096 215 S CB 1.487 64.295 63.200 -0.654 0.000 0.988 215 S HN 0.130 nan 8.310 nan 0.000 0.466 216 L N 6.738 127.890 121.223 -0.119 0.000 1.990 216 L HA 0.019 4.379 4.340 0.033 0.000 0.213 216 L C -0.862 175.964 176.870 -0.074 0.000 1.072 216 L CA 2.059 56.852 54.840 -0.078 0.000 0.755 216 L CB -0.855 41.160 42.059 -0.074 0.000 0.889 216 L HN 0.526 nan 8.230 nan 0.000 0.432 217 P HA -0.126 nan 4.420 nan 0.000 0.218 217 P C 1.717 179.018 177.300 0.000 0.000 1.148 217 P CA 1.372 64.436 63.100 -0.060 0.000 0.822 217 P CB 0.021 31.672 31.700 -0.082 0.000 0.784 218 S N -0.927 114.794 115.700 0.034 0.000 2.402 218 S HA -0.081 4.408 4.470 0.033 0.000 0.229 218 S C 1.903 176.656 174.600 0.256 0.000 1.021 218 S CA 0.737 59.077 58.200 0.234 0.000 0.974 218 S CB -0.458 63.007 63.200 0.443 0.000 0.800 218 S HN 0.079 nan 8.310 nan 0.000 0.484 219 R N 1.860 122.401 120.500 0.068 0.000 2.105 219 R HA -0.039 4.321 4.340 0.033 0.000 0.239 219 R C 2.207 178.307 176.300 -0.334 0.000 1.135 219 R CA 1.483 57.456 56.100 -0.212 0.000 0.967 219 R CB -1.253 28.950 30.300 -0.162 0.000 0.861 219 R HN 0.572 nan 8.270 nan 0.000 0.442 220 S N -0.084 115.522 115.700 -0.158 0.000 2.754 220 S HA 0.111 4.600 4.470 0.033 0.000 0.223 220 S C 1.552 176.068 174.600 -0.141 0.000 0.951 220 S CA 0.118 58.221 58.200 -0.162 0.000 0.954 220 S CB -0.204 62.946 63.200 -0.084 0.000 0.780 220 S HN 0.210 nan 8.310 nan 0.000 0.509 221 L N -0.064 121.112 121.223 -0.078 0.000 2.731 221 L HA 0.489 4.848 4.340 0.033 0.000 0.240 221 L C 0.013 176.941 176.870 0.097 0.000 1.120 221 L CA -0.312 54.555 54.840 0.045 0.000 0.913 221 L CB 0.224 42.369 42.059 0.143 0.000 1.213 221 L HN 0.517 nan 8.230 nan 0.000 0.515 222 F N -4.155 115.619 119.950 -0.294 0.000 2.715 222 F HA 0.501 5.047 4.527 0.032 0.000 0.318 222 F C 0.515 176.013 175.800 -0.503 0.000 1.141 222 F CA -1.002 56.808 58.000 -0.318 0.000 0.950 222 F CB 0.808 39.750 39.000 -0.097 0.000 1.374 222 F HN -0.166 nan 8.300 nan 0.000 0.477 223 H N -0.888 118.213 119.070 0.052 0.000 3.067 223 H HA 0.452 5.028 4.556 0.032 0.000 0.241 223 H C -0.080 175.243 175.328 -0.008 0.000 0.961 223 H CA -0.020 55.983 56.048 -0.075 0.000 1.123 223 H CB 1.083 30.814 29.762 -0.052 0.000 1.448 223 H HN 0.424 nan 8.280 nan 0.000 0.457 224 R N 0.107 120.765 120.500 0.264 0.000 2.831 224 R HA 0.746 5.106 4.340 0.033 0.000 0.266 224 R C -1.377 175.163 176.300 0.399 0.000 1.051 224 R CA -0.646 55.584 56.100 0.218 0.000 0.943 224 R CB 2.816 33.050 30.300 -0.110 0.000 1.228 224 R HN 0.154 nan 8.270 nan 0.000 0.467 225 A N 0.534 123.605 122.820 0.419 0.000 2.594 225 A HA 0.704 5.044 4.320 0.033 0.000 0.295 225 A C -1.640 176.101 177.584 0.262 0.000 1.071 225 A CA -0.605 51.625 52.037 0.321 0.000 0.685 225 A CB 1.930 21.079 19.000 0.249 0.000 1.285 225 A HN 0.282 nan 8.150 nan 0.000 0.405 226 V N 1.110 121.129 119.914 0.175 0.000 2.623 226 V HA 0.554 4.694 4.120 0.033 0.000 0.304 226 V C -1.363 174.800 176.094 0.115 0.000 1.054 226 V CA -0.304 62.035 62.300 0.065 0.000 0.882 226 V CB 1.391 33.289 31.823 0.125 0.000 1.002 226 V HN 0.677 nan 8.190 nan 0.000 0.424 227 L N 4.854 126.110 121.223 0.055 0.000 2.353 227 L HA 0.532 4.892 4.340 0.033 0.000 0.270 227 L C -0.074 176.846 176.870 0.083 0.000 1.003 227 L CA -0.025 54.840 54.840 0.043 0.000 0.862 227 L CB 1.614 43.663 42.059 -0.016 0.000 1.221 227 L HN 0.650 nan 8.230 nan 0.000 0.430 228 Q N 1.646 121.548 119.800 0.171 0.000 2.303 228 Q HA 0.472 4.832 4.340 0.033 0.000 0.257 228 Q C 0.405 176.472 176.000 0.112 0.000 0.941 228 Q CA -0.537 55.412 55.803 0.243 0.000 0.931 228 Q CB 1.310 30.301 28.738 0.422 0.000 1.215 228 Q HN 0.582 nan 8.270 nan 0.000 0.437 229 S N 0.807 116.552 115.700 0.075 0.000 3.581 229 S HA -0.183 4.307 4.470 0.033 0.000 0.354 229 S C 0.060 174.749 174.600 0.148 0.000 1.059 229 S CA 0.632 58.874 58.200 0.070 0.000 1.060 229 S CB -1.142 62.031 63.200 -0.046 0.000 0.908 229 S HN 0.981 nan 8.310 nan 0.000 0.475 230 G N -0.697 108.188 108.800 0.141 0.000 2.576 230 G HA2 0.718 4.698 3.960 0.033 0.000 0.290 230 G HA3 0.718 4.698 3.960 0.033 0.000 0.290 230 G C -0.934 174.034 174.900 0.112 0.000 1.442 230 G CA 0.222 45.474 45.100 0.253 0.000 0.792 230 G HN 0.968 nan 8.290 nan 0.000 0.491 231 T N -2.106 112.485 114.554 0.062 0.000 2.885 231 T HA 0.659 5.029 4.350 0.033 0.000 0.322 231 T C -2.630 171.942 174.700 -0.214 0.000 1.387 231 T CA -1.211 60.841 62.100 -0.080 0.000 1.041 231 T CB 2.495 71.312 68.868 -0.085 0.000 1.287 231 T HN 0.203 nan 8.240 nan 0.000 0.491 232 P HA -0.004 nan 4.420 nan 0.000 0.217 232 P C 0.638 177.783 177.300 -0.259 0.000 1.151 232 P CA 0.725 63.699 63.100 -0.209 0.000 0.828 232 P CB -0.078 31.552 31.700 -0.117 0.000 0.788 233 N N 0.513 119.094 118.700 -0.199 0.000 2.255 233 N HA 0.203 4.962 4.740 0.033 0.000 0.253 233 N C 0.789 176.135 175.510 -0.274 0.000 1.313 233 N CA 0.802 53.740 53.050 -0.187 0.000 0.912 233 N CB -0.546 37.876 38.487 -0.110 0.000 1.145 233 N HN 0.228 nan 8.380 nan 0.000 0.511 234 G N -1.285 107.385 108.800 -0.216 0.000 2.756 234 G HA2 -0.148 3.832 3.960 0.033 0.000 0.678 234 G HA3 -0.148 3.832 3.960 0.033 0.000 0.678 234 G C -1.915 172.812 174.900 -0.288 0.000 1.349 234 G CA -0.181 44.770 45.100 -0.249 0.000 0.847 234 G HN 0.552 nan 8.290 nan 0.000 0.548 235 P HA 0.017 nan 4.420 nan 0.000 0.223 235 P C 1.566 178.900 177.300 0.057 0.000 1.151 235 P CA 2.403 65.457 63.100 -0.078 0.000 0.787 235 P CB -0.068 31.553 31.700 -0.131 0.000 0.788 236 W N -1.443 119.892 121.300 0.057 0.000 2.901 236 W HA 0.554 5.233 4.660 0.032 0.000 0.281 236 W C 1.280 177.925 176.519 0.211 0.000 1.167 236 W CA 0.456 57.930 57.345 0.216 0.000 1.506 236 W CB -0.881 28.829 29.460 0.416 0.000 0.985 236 W HN -0.165 nan 8.180 nan 0.000 0.590 237 A N 1.882 124.274 122.820 -0.713 0.000 2.119 237 A HA 0.120 4.459 4.320 0.033 0.000 0.216 237 A C 1.135 178.471 177.584 -0.414 0.000 1.152 237 A CA 1.829 53.421 52.037 -0.742 0.000 0.708 237 A CB -0.792 17.523 19.000 -1.141 0.000 0.805 237 A HN 0.259 nan 8.150 nan 0.000 0.460 238 T N -3.397 110.983 114.554 -0.291 0.000 2.864 238 T HA 0.614 4.984 4.350 0.033 0.000 0.299 238 T C -0.683 173.930 174.700 -0.145 0.000 1.166 238 T CA -0.110 61.844 62.100 -0.243 0.000 1.007 238 T CB 1.463 70.202 68.868 -0.216 0.000 1.219 238 T HN 0.878 nan 8.240 nan 0.000 0.506 239 V N -1.182 118.654 119.914 -0.130 0.000 3.102 239 V HA 0.929 5.069 4.120 0.033 0.000 0.312 239 V C 0.100 176.152 176.094 -0.069 0.000 1.135 239 V CA -0.969 61.279 62.300 -0.086 0.000 1.022 239 V CB 1.436 33.210 31.823 -0.082 0.000 1.056 239 V HN 1.356 nan 8.190 nan 0.000 0.436 240 S N 1.158 116.827 115.700 -0.053 0.000 2.610 240 S HA 0.706 5.195 4.470 0.033 0.000 0.273 240 S C 1.320 175.901 174.600 -0.031 0.000 1.274 240 S CA -0.002 58.174 58.200 -0.039 0.000 1.023 240 S CB 1.388 64.568 63.200 -0.033 0.000 0.962 240 S HN 1.897 nan 8.310 nan 0.000 0.523 241 A N 2.911 125.718 122.820 -0.022 0.000 1.869 241 A HA -0.027 4.313 4.320 0.033 0.000 0.218 241 A C 2.289 179.863 177.584 -0.017 0.000 1.203 241 A CA 2.312 54.340 52.037 -0.014 0.000 0.638 241 A CB -2.062 16.933 19.000 -0.009 0.000 0.831 241 A HN 1.310 nan 8.150 nan 0.000 0.450 242 G N -0.649 108.140 108.800 -0.018 0.000 2.574 242 G HA2 -0.367 3.613 3.960 0.033 0.000 0.220 242 G HA3 -0.367 3.613 3.960 0.033 0.000 0.220 242 G C 1.487 176.373 174.900 -0.024 0.000 1.173 242 G CA 1.758 46.847 45.100 -0.019 0.000 0.772 242 G HN 0.619 nan 8.290 nan 0.000 0.585 243 E N 0.843 121.024 120.200 -0.032 0.000 2.152 243 E HA 0.159 4.528 4.350 0.033 0.000 0.192 243 E C 2.641 179.209 176.600 -0.054 0.000 0.983 243 E CA 1.319 57.692 56.400 -0.044 0.000 0.818 243 E CB -0.559 29.111 29.700 -0.051 0.000 0.758 243 E HN 0.314 nan 8.360 nan 0.000 0.467 244 A N 0.876 123.671 122.820 -0.041 0.000 1.898 244 A HA -0.149 4.190 4.320 0.033 0.000 0.216 244 A C 2.287 179.874 177.584 0.004 0.000 1.181 244 A CA 1.624 53.647 52.037 -0.023 0.000 0.620 244 A CB -0.582 18.420 19.000 0.003 0.000 0.819 244 A HN 0.264 nan 8.150 nan 0.000 0.442 245 R N -0.643 119.854 120.500 -0.005 0.000 2.096 245 R HA -0.107 4.253 4.340 0.033 0.000 0.235 245 R C 2.408 178.704 176.300 -0.005 0.000 1.127 245 R CA 1.490 57.587 56.100 -0.005 0.000 0.968 245 R CB -0.262 30.031 30.300 -0.011 0.000 0.861 245 R HN 0.495 nan 8.270 nan 0.000 0.440 246 R N 0.320 120.811 120.500 -0.015 0.000 2.073 246 R HA -0.048 4.311 4.340 0.033 0.000 0.229 246 R C 2.163 178.454 176.300 -0.015 0.000 1.120 246 R CA 1.293 57.382 56.100 -0.018 0.000 0.967 246 R CB -0.014 30.270 30.300 -0.027 0.000 0.862 246 R HN 0.244 nan 8.270 nan 0.000 0.436 247 R N -0.216 120.262 120.500 -0.037 0.000 2.115 247 R HA -0.032 4.327 4.340 0.033 0.000 0.230 247 R C 2.265 178.628 176.300 0.105 0.000 1.111 247 R CA 1.161 57.222 56.100 -0.064 0.000 0.976 247 R CB -0.207 29.919 30.300 -0.291 0.000 0.870 247 R HN 0.199 nan 8.270 nan 0.000 0.445 248 A N 1.000 123.906 122.820 0.142 0.000 1.841 248 A HA -0.185 4.154 4.320 0.033 0.000 0.214 248 A C 2.335 179.945 177.584 0.044 0.000 1.195 248 A CA 2.107 54.226 52.037 0.136 0.000 0.611 248 A CB -1.135 17.884 19.000 0.030 0.000 0.835 248 A HN 0.475 nan 8.150 nan 0.000 0.443 249 T N -1.832 112.731 114.554 0.014 0.000 2.833 249 T HA -0.147 4.223 4.350 0.033 0.000 0.269 249 T C 1.728 176.433 174.700 0.009 0.000 1.054 249 T CA 1.602 63.701 62.100 -0.002 0.000 1.135 249 T CB -0.444 68.419 68.868 -0.008 0.000 0.869 249 T HN 0.236 nan 8.240 nan 0.000 0.466 250 L N 0.368 121.605 121.223 0.023 0.000 2.093 250 L HA 0.285 4.644 4.340 0.033 0.000 0.208 250 L C 2.257 179.155 176.870 0.047 0.000 1.085 250 L CA 1.305 56.161 54.840 0.027 0.000 0.755 250 L CB -1.121 40.952 42.059 0.024 0.000 0.904 250 L HN 0.336 nan 8.230 nan 0.000 0.435 251 L N -0.024 121.254 121.223 0.093 0.000 2.017 251 L HA -0.074 4.286 4.340 0.033 0.000 0.208 251 L C 2.530 179.415 176.870 0.026 0.000 1.073 251 L CA 2.050 56.952 54.840 0.103 0.000 0.745 251 L CB -0.965 41.193 42.059 0.165 0.000 0.894 251 L HN 0.267 nan 8.230 nan 0.000 0.432 252 A N -0.603 122.217 122.820 0.000 0.000 1.908 252 A HA -0.255 4.085 4.320 0.033 0.000 0.218 252 A C 2.527 180.099 177.584 -0.019 0.000 1.181 252 A CA 1.899 53.926 52.037 -0.018 0.000 0.627 252 A CB -0.664 18.318 19.000 -0.030 0.000 0.818 252 A HN 0.481 nan 8.150 nan 0.000 0.445 253 R N -0.900 119.589 120.500 -0.018 0.000 2.081 253 R HA -0.014 4.346 4.340 0.033 0.000 0.235 253 R C 1.899 178.165 176.300 -0.057 0.000 1.131 253 R CA 1.307 57.392 56.100 -0.026 0.000 0.960 253 R CB -0.374 29.915 30.300 -0.017 0.000 0.856 253 R HN 0.539 nan 8.270 nan 0.000 0.436 254 L N 0.502 121.675 121.223 -0.083 0.000 2.456 254 L HA -0.094 4.265 4.340 0.033 0.000 0.224 254 L C 1.584 178.254 176.870 -0.334 0.000 1.148 254 L CA 0.604 55.312 54.840 -0.220 0.000 0.825 254 L CB 0.282 42.209 42.059 -0.220 0.000 0.937 254 L HN 0.118 nan 8.230 nan 0.000 0.450 255 V N -4.460 115.376 119.914 -0.130 0.000 3.380 255 V HA 0.522 4.661 4.120 0.033 0.000 0.307 255 V C 0.780 176.867 176.094 -0.011 0.000 1.434 255 V CA -0.092 62.185 62.300 -0.038 0.000 1.075 255 V CB -0.396 31.465 31.823 0.063 0.000 0.954 255 V HN 0.262 nan 8.190 nan 0.000 0.444 256 G N -0.032 108.752 108.800 -0.027 0.000 2.883 256 G HA2 -0.150 3.830 3.960 0.033 0.000 0.219 256 G HA3 -0.150 3.830 3.960 0.033 0.000 0.219 256 G C -0.404 174.496 174.900 -0.001 0.000 0.908 256 G CA -0.016 45.078 45.100 -0.011 0.000 0.978 256 G HN 0.767 nan 8.290 nan 0.000 0.365 266 D N 1.327 121.723 120.400 -0.006 0.000 2.097 266 D HA -0.085 4.575 4.640 0.033 0.000 0.197 266 D C 1.422 177.718 176.300 -0.006 0.000 0.984 266 D CA 1.841 55.835 54.000 -0.010 0.000 0.826 266 D CB 0.146 40.941 40.800 -0.009 0.000 0.973 266 D HN 0.584 nan 8.370 nan 0.000 0.460 267 T N 0.778 115.333 114.554 0.002 0.000 2.746 267 T HA -0.117 4.252 4.350 0.033 0.000 0.267 267 T C 1.806 176.513 174.700 0.012 0.000 1.039 267 T CA 1.008 63.115 62.100 0.010 0.000 1.142 267 T CB -0.152 68.724 68.868 0.012 0.000 0.866 267 T HN 0.273 nan 8.240 nan 0.000 0.444 268 E N 0.341 120.545 120.200 0.008 0.000 2.106 268 E HA -0.041 4.329 4.350 0.033 0.000 0.192 268 E C 2.101 178.705 176.600 0.008 0.000 0.984 268 E CA 0.530 56.935 56.400 0.009 0.000 0.806 268 E CB -0.187 29.517 29.700 0.006 0.000 0.750 268 E HN 0.206 nan 8.360 nan 0.000 0.458 269 L N 0.882 122.105 121.223 -0.002 0.000 2.017 269 L HA -0.167 4.192 4.340 0.033 0.000 0.208 269 L C 2.011 178.876 176.870 -0.007 0.000 1.073 269 L CA 1.515 56.349 54.840 -0.011 0.000 0.745 269 L CB -0.165 41.878 42.059 -0.027 0.000 0.894 269 L HN 0.101 nan 8.230 nan 0.000 0.432 270 I N -0.945 119.624 120.570 -0.002 0.000 2.163 270 I HA -0.252 3.938 4.170 0.033 0.000 0.240 270 I C 2.599 178.771 176.117 0.092 0.000 1.081 270 I CA 1.126 62.447 61.300 0.034 0.000 1.353 270 I CB -0.682 37.342 38.000 0.040 0.000 1.054 270 I HN 0.284 nan 8.210 nan 0.000 0.407 271 A N -0.156 122.701 122.820 0.061 0.000 1.927 271 A HA -0.362 3.978 4.320 0.033 0.000 0.220 271 A C 2.535 180.150 177.584 0.052 0.000 1.185 271 A CA 2.342 54.411 52.037 0.053 0.000 0.639 271 A CB -1.546 17.474 19.000 0.033 0.000 0.820 271 A HN 0.664 nan 8.150 nan 0.000 0.451 272 c N -0.825 117.800 118.600 0.043 0.000 2.446 272 c HA 0.035 4.624 4.570 0.033 0.000 0.277 272 c C 2.611 176.735 174.090 0.056 0.000 1.275 272 c CA 1.049 57.400 56.329 0.038 0.000 1.727 272 c CB -1.568 40.956 42.510 0.023 0.000 2.010 272 c HN 0.589 nan 8.230 nan 0.000 0.486 273 L N 0.435 121.708 121.223 0.083 0.000 2.046 273 L HA -0.108 4.252 4.340 0.033 0.000 0.208 273 L C 3.053 180.024 176.870 0.168 0.000 1.077 273 L CA 1.557 56.481 54.840 0.140 0.000 0.747 273 L CB -0.724 41.440 42.059 0.175 0.000 0.896 273 L HN 0.313 nan 8.230 nan 0.000 0.432 274 R N -0.310 120.292 120.500 0.170 0.000 2.170 274 R HA -0.155 4.204 4.340 0.033 0.000 0.242 274 R C 2.018 178.320 176.300 0.004 0.000 1.145 274 R CA 1.865 57.994 56.100 0.048 0.000 0.984 274 R CB -0.613 29.714 30.300 0.046 0.000 0.869 274 R HN 0.519 nan 8.270 nan 0.000 0.455 275 T N -1.656 112.914 114.554 0.025 0.000 3.169 275 T HA 0.124 4.493 4.350 0.033 0.000 0.250 275 T C 0.773 175.480 174.700 0.011 0.000 1.111 275 T CA -0.044 62.063 62.100 0.012 0.000 1.010 275 T CB 0.143 69.022 68.868 0.018 0.000 0.984 275 T HN -0.105 nan 8.240 nan 0.000 0.537 276 R N 2.495 123.005 120.500 0.017 0.000 2.393 276 R HA 0.408 4.767 4.340 0.033 0.000 0.310 276 R C -2.764 173.539 176.300 0.004 0.000 0.968 276 R CA -2.446 53.667 56.100 0.021 0.000 0.867 276 R CB 0.902 31.227 30.300 0.042 0.000 1.124 276 R HN 0.212 nan 8.270 nan 0.000 0.450 277 P HA -0.106 nan 4.420 nan 0.000 0.264 277 P C 0.408 177.688 177.300 -0.034 0.000 1.173 277 P CA 0.337 63.418 63.100 -0.031 0.000 0.761 277 P CB 0.501 32.193 31.700 -0.013 0.000 0.794 278 A N 3.156 125.899 122.820 -0.128 0.000 1.892 278 A HA -0.276 4.064 4.320 0.033 0.000 0.218 278 A C 2.178 179.763 177.584 0.002 0.000 1.188 278 A CA 2.083 54.058 52.037 -0.103 0.000 0.631 278 A CB -1.162 17.381 19.000 -0.761 0.000 0.822 278 A HN 0.536 nan 8.150 nan 0.000 0.447 279 Q N 0.096 119.849 119.800 -0.078 0.000 2.291 279 Q HA -0.154 4.205 4.340 0.033 0.000 0.206 279 Q C 1.175 177.279 176.000 0.173 0.000 0.976 279 Q CA 1.903 57.844 55.803 0.229 0.000 0.875 279 Q CB -0.438 28.435 28.738 0.225 0.000 0.927 279 Q HN 0.639 nan 8.270 nan 0.000 0.450 280 D N -0.418 120.042 120.400 0.100 0.000 2.097 280 D HA -0.135 4.525 4.640 0.033 0.000 0.195 280 D C 1.722 178.082 176.300 0.100 0.000 0.989 280 D CA 1.199 55.254 54.000 0.092 0.000 0.827 280 D CB -0.172 40.685 40.800 0.094 0.000 0.966 280 D HN 0.323 nan 8.370 nan 0.000 0.456 281 L N 0.106 121.380 121.223 0.084 0.000 2.131 281 L HA -0.112 4.247 4.340 0.033 0.000 0.210 281 L C 2.409 179.310 176.870 0.052 0.000 1.092 281 L CA 0.467 55.321 54.840 0.023 0.000 0.759 281 L CB -0.364 41.592 42.059 -0.171 0.000 0.903 281 L HN -0.057 nan 8.230 nan 0.000 0.435 282 V N -0.236 119.783 119.914 0.175 0.000 2.626 282 V HA -0.224 3.916 4.120 0.033 0.000 0.252 282 V C 2.072 178.266 176.094 0.166 0.000 1.067 282 V CA 1.502 63.953 62.300 0.253 0.000 1.081 282 V CB -0.498 31.602 31.823 0.462 0.000 0.686 282 V HN 0.427 nan 8.190 nan 0.000 0.468 283 D N -0.405 120.013 120.400 0.030 0.000 2.084 283 D HA -0.147 4.513 4.640 0.033 0.000 0.194 283 D C 1.793 177.860 176.300 -0.388 0.000 0.990 283 D CA 1.425 55.318 54.000 -0.180 0.000 0.826 283 D CB -0.296 40.264 40.800 -0.400 0.000 0.971 283 D HN 0.508 nan 8.370 nan 0.000 0.453 284 H N 0.252 119.295 119.070 -0.045 0.000 2.524 284 H HA 0.130 4.705 4.556 0.032 0.000 0.280 284 H C 1.584 176.872 175.328 -0.066 0.000 1.018 284 H CA 0.043 56.028 56.048 -0.105 0.000 1.165 284 H CB 0.377 30.177 29.762 0.063 0.000 1.411 284 H HN 0.368 nan 8.280 nan 0.000 0.569 285 E N 0.641 120.833 120.200 -0.013 0.000 2.077 285 E HA -0.178 4.192 4.350 0.033 0.000 0.193 285 E C 0.612 177.121 176.600 -0.152 0.000 0.989 285 E CA 0.970 57.336 56.400 -0.058 0.000 0.800 285 E CB 0.081 29.659 29.700 -0.203 0.000 0.746 285 E HN 0.423 nan 8.360 nan 0.000 0.452 286 W N -0.475 120.761 121.300 -0.105 0.000 3.400 286 W HA 0.163 4.842 4.660 0.033 0.000 0.347 286 W C 0.654 177.254 176.519 0.135 0.000 1.218 286 W CA -0.087 57.218 57.345 -0.068 0.000 1.837 286 W CB 0.256 29.613 29.460 -0.173 0.000 1.067 286 W HN 0.211 nan 8.180 nan 0.000 0.701 287 H N -1.600 117.604 119.070 0.224 0.000 2.674 287 H HA 0.108 4.683 4.556 0.032 0.000 0.274 287 H C 1.551 176.943 175.328 0.106 0.000 1.121 287 H CA -0.188 55.963 56.048 0.172 0.000 1.132 287 H CB 0.638 30.526 29.762 0.210 0.000 1.606 287 H HN -0.017 nan 8.280 nan 0.000 0.558 288 V N 0.625 120.644 119.914 0.174 0.000 2.725 288 V HA -0.013 4.127 4.120 0.033 0.000 0.247 288 V C 0.762 176.864 176.094 0.013 0.000 1.058 288 V CA 0.947 63.284 62.300 0.062 0.000 1.080 288 V CB 0.206 32.011 31.823 -0.031 0.000 0.713 288 V HN 0.280 nan 8.190 nan 0.000 0.465 289 L N 1.292 122.529 121.223 0.023 0.000 2.335 289 L HA 0.324 4.683 4.340 0.033 0.000 0.268 289 L C -1.845 175.067 176.870 0.070 0.000 1.037 289 L CA -1.429 53.422 54.840 0.018 0.000 0.895 289 L CB 1.258 43.306 42.059 -0.018 0.000 1.266 289 L HN 0.091 nan 8.230 nan 0.000 0.439 290 P HA -0.165 nan 4.420 nan 0.000 0.215 290 P C -0.154 177.171 177.300 0.042 0.000 1.157 290 P CA 0.645 63.782 63.100 0.061 0.000 0.863 290 P CB 0.059 31.773 31.700 0.025 0.000 0.787 291 Q N 1.273 121.086 119.800 0.021 0.000 2.810 291 Q HA -0.219 4.140 4.340 0.033 0.000 0.213 291 Q C -0.359 175.648 176.000 0.011 0.000 1.337 291 Q CA 0.438 56.246 55.803 0.008 0.000 0.734 291 Q CB -1.370 27.367 28.738 -0.003 0.000 0.854 291 Q HN 0.451 nan 8.270 nan 0.000 0.368 292 E N 1.974 122.179 120.200 0.008 0.000 2.070 292 E HA -0.040 4.329 4.350 0.033 0.000 0.249 292 E C -0.121 176.478 176.600 -0.003 0.000 1.247 292 E CA 0.188 56.593 56.400 0.009 0.000 1.009 292 E CB 0.067 29.771 29.700 0.006 0.000 1.093 292 E HN 0.557 nan 8.360 nan 0.000 0.443 293 S N 0.640 116.340 115.700 -0.000 0.000 2.851 293 S HA 0.419 4.908 4.470 0.033 0.000 0.317 293 S C 0.584 175.196 174.600 0.021 0.000 1.144 293 S CA -0.831 57.355 58.200 -0.023 0.000 0.862 293 S CB 0.601 63.767 63.200 -0.057 0.000 1.259 293 S HN 0.192 nan 8.310 nan 0.000 0.564 294 I N -1.013 119.577 120.570 0.033 0.000 2.729 294 I HA 0.290 4.480 4.170 0.033 0.000 0.256 294 I C 0.362 176.655 176.117 0.293 0.000 1.115 294 I CA 0.620 62.048 61.300 0.214 0.000 1.446 294 I CB -0.450 37.752 38.000 0.337 0.000 1.176 294 I HN 0.438 nan 8.210 nan 0.000 0.446 295 F N 3.766 123.508 119.950 -0.347 0.000 2.833 295 F HA 0.265 4.812 4.527 0.033 0.000 0.327 295 F C 1.353 176.704 175.800 -0.748 0.000 1.184 295 F CA -0.859 56.641 58.000 -0.832 0.000 1.328 295 F CB -1.127 37.484 39.000 -0.649 0.000 1.440 295 F HN 0.198 nan 8.300 nan 0.000 0.569 296 R N 0.144 120.503 120.500 -0.234 0.000 2.480 296 R HA 0.159 4.518 4.340 0.033 0.000 0.277 296 R C -0.236 176.041 176.300 -0.039 0.000 1.008 296 R CA -0.214 55.835 56.100 -0.086 0.000 1.090 296 R CB -0.999 29.341 30.300 0.067 0.000 1.234 296 R HN 0.236 nan 8.270 nan 0.000 0.549 297 F N -0.199 119.801 119.950 0.083 0.000 2.467 297 F HA 0.330 4.876 4.527 0.032 0.000 0.362 297 F C 0.784 176.470 175.800 -0.190 0.000 1.090 297 F CA -0.898 56.966 58.000 -0.228 0.000 1.202 297 F CB 1.003 39.887 39.000 -0.193 0.000 1.113 297 F HN -0.180 nan 8.300 nan 0.000 0.541 298 S N 1.974 117.590 115.700 -0.140 0.000 2.470 298 S HA 0.154 4.644 4.470 0.033 0.000 0.222 298 S C -0.157 174.073 174.600 -0.618 0.000 1.024 298 S CA 0.076 57.990 58.200 -0.475 0.000 0.931 298 S CB -0.160 62.532 63.200 -0.846 0.000 0.791 298 S HN 0.502 nan 8.310 nan 0.000 0.513 299 F N 2.740 122.723 119.950 0.056 0.000 2.366 299 F HA 0.589 5.136 4.527 0.033 0.000 0.366 299 F C 0.017 175.821 175.800 0.006 0.000 1.096 299 F CA -1.094 56.940 58.000 0.056 0.000 1.060 299 F CB 1.237 40.286 39.000 0.081 0.000 1.282 299 F HN -0.095 nan 8.300 nan 0.000 0.450 300 V N 0.616 120.497 119.914 -0.056 0.000 3.167 300 V HA 0.765 4.905 4.120 0.033 0.000 0.310 300 V C -2.896 172.794 176.094 -0.674 0.000 1.207 300 V CA -3.350 58.593 62.300 -0.594 0.000 1.059 300 V CB 2.022 33.636 31.823 -0.349 0.000 1.079 300 V HN 0.218 nan 8.190 nan 0.000 0.446 301 P HA 0.168 nan 4.420 nan 0.000 0.265 301 P C -0.786 176.337 177.300 -0.294 0.000 1.187 301 P CA 0.386 63.135 63.100 -0.585 0.000 0.766 301 P CB 0.593 31.867 31.700 -0.710 0.000 0.820 302 V N 4.830 124.662 119.914 -0.136 0.000 2.495 302 V HA 0.220 4.360 4.120 0.033 0.000 0.298 302 V C -0.453 175.611 176.094 -0.050 0.000 1.031 302 V CA -0.942 61.311 62.300 -0.078 0.000 0.871 302 V CB 2.028 33.838 31.823 -0.023 0.000 0.988 302 V HN 0.159 nan 8.190 nan 0.000 0.432 303 V N 7.252 127.137 119.914 -0.049 0.000 2.425 303 V HA 0.211 4.351 4.120 0.033 0.000 0.276 303 V C 0.714 176.807 176.094 -0.002 0.000 1.017 303 V CA 0.491 62.778 62.300 -0.021 0.000 1.062 303 V CB 0.533 32.339 31.823 -0.029 0.000 0.997 303 V HN 1.052 nan 8.190 nan 0.000 0.476 304 D N 2.747 123.160 120.400 0.022 0.000 2.520 304 D HA 0.155 4.815 4.640 0.033 0.000 0.223 304 D C 1.386 177.705 176.300 0.031 0.000 1.186 304 D CA 0.398 54.416 54.000 0.029 0.000 0.821 304 D CB 0.465 41.294 40.800 0.048 0.000 1.072 304 D HN 0.754 nan 8.370 nan 0.000 0.518 305 G N 0.881 109.697 108.800 0.027 0.000 2.186 305 G HA2 -0.368 3.612 3.960 0.033 0.000 0.266 305 G HA3 -0.368 3.612 3.960 0.033 0.000 0.266 305 G C 0.481 175.397 174.900 0.028 0.000 0.982 305 G CA 1.146 46.258 45.100 0.021 0.000 0.670 305 G HN 0.548 nan 8.290 nan 0.000 0.533 306 D N -1.512 118.920 120.400 0.054 0.000 3.074 306 D HA 0.205 4.864 4.640 0.033 0.000 0.227 306 D C 1.789 178.136 176.300 0.078 0.000 1.553 306 D CA 0.342 54.380 54.000 0.062 0.000 1.347 306 D CB -0.534 40.315 40.800 0.082 0.000 1.021 306 D HN 0.099 nan 8.370 nan 0.000 0.260 307 F N 1.293 121.241 119.950 -0.004 0.000 2.102 307 F HA 0.180 4.726 4.527 0.032 0.000 0.298 307 F C 0.650 176.436 175.800 -0.023 0.000 1.105 307 F CA 1.114 59.108 58.000 -0.010 0.000 1.239 307 F CB 0.104 39.095 39.000 -0.015 0.000 0.991 307 F HN -0.039 nan 8.300 nan 0.000 0.474 308 L N 0.940 122.317 121.223 0.258 0.000 2.264 308 L HA 0.197 4.557 4.340 0.033 0.000 0.287 308 L C 1.494 178.396 176.870 0.053 0.000 1.039 308 L CA -0.136 54.779 54.840 0.126 0.000 0.829 308 L CB 1.311 43.435 42.059 0.109 0.000 1.211 308 L HN 0.113 nan 8.230 nan 0.000 0.427 309 S N 0.942 116.652 115.700 0.017 0.000 2.419 309 S HA -0.062 4.427 4.470 0.033 0.000 0.233 309 S C 0.512 175.115 174.600 0.005 0.000 1.016 309 S CA 0.762 58.965 58.200 0.004 0.000 0.974 309 S CB 0.110 63.303 63.200 -0.013 0.000 0.786 309 S HN 0.737 nan 8.310 nan 0.000 0.492 310 D N -0.054 120.350 120.400 0.007 0.000 2.639 310 D HA 0.259 4.919 4.640 0.033 0.000 0.271 310 D C -0.907 175.392 176.300 -0.001 0.000 1.254 310 D CA 0.094 54.095 54.000 0.001 0.000 0.810 310 D CB 1.628 42.427 40.800 -0.001 0.000 1.351 310 D HN 0.264 nan 8.370 nan 0.000 0.427 311 T N -0.259 114.289 114.554 -0.010 0.000 2.946 311 T HA 0.121 4.491 4.350 0.033 0.000 0.312 311 T C -1.729 172.961 174.700 -0.016 0.000 1.066 311 T CA -0.530 61.557 62.100 -0.022 0.000 1.138 311 T CB 0.749 69.600 68.868 -0.029 0.000 1.014 311 T HN 0.144 nan 8.240 nan 0.000 0.544 312 P HA -0.103 nan 4.420 nan 0.000 0.216 312 P C 1.388 178.686 177.300 -0.004 0.000 1.150 312 P CA 1.163 64.250 63.100 -0.022 0.000 0.843 312 P CB 0.069 31.727 31.700 -0.069 0.000 0.787 313 E N -0.185 120.003 120.200 -0.019 0.000 2.021 313 E HA -0.203 4.167 4.350 0.033 0.000 0.200 313 E C 2.223 178.834 176.600 0.018 0.000 1.015 313 E CA 1.829 58.227 56.400 -0.003 0.000 0.824 313 E CB -1.286 28.407 29.700 -0.013 0.000 0.762 313 E HN 0.098 nan 8.360 nan 0.000 0.454 314 A N 0.601 123.427 122.820 0.010 0.000 1.927 314 A HA -0.238 4.101 4.320 0.033 0.000 0.220 314 A C 2.269 179.871 177.584 0.031 0.000 1.185 314 A CA 1.606 53.652 52.037 0.015 0.000 0.639 314 A CB -0.823 18.179 19.000 0.004 0.000 0.820 314 A HN 0.222 nan 8.150 nan 0.000 0.451 315 L N -0.390 120.859 121.223 0.043 0.000 2.072 315 L HA -0.121 4.238 4.340 0.033 0.000 0.205 315 L C 2.591 179.561 176.870 0.165 0.000 1.079 315 L CA 1.573 56.459 54.840 0.075 0.000 0.752 315 L CB -0.487 41.616 42.059 0.074 0.000 0.906 315 L HN 0.690 nan 8.230 nan 0.000 0.436 316 I N -3.409 117.267 120.570 0.177 0.000 2.676 316 I HA -0.133 4.057 4.170 0.033 0.000 0.259 316 I C 1.911 178.182 176.117 0.257 0.000 1.194 316 I CA 1.067 62.543 61.300 0.292 0.000 1.473 316 I CB -0.450 37.621 38.000 0.118 0.000 1.096 316 I HN 0.177 nan 8.210 nan 0.000 0.443 317 N N 1.463 120.241 118.700 0.130 0.000 2.270 317 N HA -0.114 4.645 4.740 0.033 0.000 0.181 317 N C 1.961 177.504 175.510 0.055 0.000 1.016 317 N CA 2.159 55.261 53.050 0.087 0.000 0.870 317 N CB -0.240 38.278 38.487 0.050 0.000 0.979 317 N HN 0.678 nan 8.380 nan 0.000 0.431 318 T N -3.420 111.147 114.554 0.022 0.000 3.001 318 T HA 0.270 4.640 4.350 0.033 0.000 0.251 318 T C 1.018 175.634 174.700 -0.141 0.000 1.040 318 T CA -0.232 61.844 62.100 -0.040 0.000 0.985 318 T CB -0.053 68.793 68.868 -0.038 0.000 1.011 318 T HN 0.040 nan 8.240 nan 0.000 0.509 319 G N 1.345 110.007 108.800 -0.229 0.000 2.554 319 G HA2 0.350 4.330 3.960 0.033 0.000 0.238 319 G HA3 0.350 4.330 3.960 0.033 0.000 0.238 319 G C -0.862 173.513 174.900 -0.875 0.000 1.259 319 G CA -0.346 44.340 45.100 -0.689 0.000 0.843 319 G HN 0.469 nan 8.290 nan 0.000 0.582 320 D N 0.128 120.048 120.400 -0.800 0.000 2.427 320 D HA 0.368 5.028 4.640 0.033 0.000 0.226 320 D C -0.376 175.624 176.300 -0.500 0.000 1.076 320 D CA -0.696 53.000 54.000 -0.507 0.000 0.849 320 D CB 0.332 40.981 40.800 -0.251 0.000 1.052 320 D HN 0.097 nan 8.370 nan 0.000 0.515 321 F N 2.700 122.649 119.950 -0.001 0.000 2.925 321 F HA 0.238 4.784 4.527 0.033 0.000 0.302 321 F C 1.822 177.622 175.800 0.001 0.000 1.189 321 F CA -0.514 57.488 58.000 0.003 0.000 1.346 321 F CB 0.217 39.228 39.000 0.018 0.000 0.954 321 F HN 0.375 nan 8.300 nan 0.000 0.506 322 Q N 0.784 120.634 119.800 0.083 0.000 2.002 322 Q HA -0.141 4.219 4.340 0.033 0.000 0.204 322 Q C 0.444 176.476 176.000 0.054 0.000 0.988 322 Q CA 1.717 57.550 55.803 0.051 0.000 0.843 322 Q CB -0.041 28.700 28.738 0.005 0.000 0.908 322 Q HN 0.125 nan 8.270 nan 0.000 0.420 323 D N 0.103 120.527 120.400 0.040 0.000 2.638 323 D HA 0.283 4.943 4.640 0.033 0.000 0.245 323 D C -1.161 175.160 176.300 0.036 0.000 1.176 323 D CA -0.020 53.996 54.000 0.027 0.000 0.996 323 D CB 0.063 40.865 40.800 0.004 0.000 1.012 323 D HN 0.068 nan 8.370 nan 0.000 0.515 324 L N 1.462 122.724 121.223 0.065 0.000 2.565 324 L HA 0.295 4.655 4.340 0.033 0.000 0.261 324 L C -1.687 175.243 176.870 0.101 0.000 0.932 324 L CA -0.458 54.431 54.840 0.080 0.000 0.878 324 L CB 2.151 44.280 42.059 0.118 0.000 1.333 324 L HN -0.147 nan 8.230 nan 0.000 0.409 325 Q N 3.084 122.960 119.800 0.126 0.000 2.337 325 Q HA 0.859 5.218 4.340 0.033 0.000 0.266 325 Q C -1.424 174.796 176.000 0.367 0.000 1.023 325 Q CA -0.593 55.344 55.803 0.223 0.000 0.829 325 Q CB 2.818 31.671 28.738 0.192 0.000 1.306 325 Q HN 0.458 nan 8.270 nan 0.000 0.449 326 V N 2.283 122.391 119.914 0.323 0.000 2.686 326 V HA 0.443 4.583 4.120 0.033 0.000 0.306 326 V C -1.468 174.576 176.094 -0.083 0.000 1.065 326 V CA -0.871 61.536 62.300 0.179 0.000 0.894 326 V CB 1.937 33.784 31.823 0.040 0.000 1.004 326 V HN 0.630 nan 8.190 nan 0.000 0.424 327 L N 7.073 128.017 121.223 -0.465 0.000 2.287 327 L HA 0.868 5.228 4.340 0.033 0.000 0.287 327 L C -0.354 176.341 176.870 -0.291 0.000 1.022 327 L CA -0.021 54.445 54.840 -0.623 0.000 0.814 327 L CB 1.481 42.742 42.059 -1.331 0.000 1.217 327 L HN 0.634 nan 8.230 nan 0.000 0.420 328 V N 2.272 122.061 119.914 -0.208 0.000 2.962 328 V HA 1.130 5.269 4.120 0.033 0.000 0.313 328 V C -0.186 175.596 176.094 -0.520 0.000 1.099 328 V CA 0.191 62.347 62.300 -0.240 0.000 0.971 328 V CB 1.274 32.964 31.823 -0.220 0.000 1.028 328 V HN 1.057 nan 8.190 nan 0.000 0.430 329 G N 0.906 109.256 108.800 -0.751 0.000 2.506 329 G HA2 0.766 4.746 3.960 0.033 0.000 0.292 329 G HA3 0.766 4.746 3.960 0.033 0.000 0.292 329 G C -1.205 173.339 174.900 -0.593 0.000 1.425 329 G CA 0.034 44.302 45.100 -1.387 0.000 0.788 329 G HN 1.997 nan 8.290 nan 0.000 0.490 330 V N -2.334 117.412 119.914 -0.280 0.000 3.160 330 V HA 0.928 5.068 4.120 0.033 0.000 0.310 330 V C 0.400 176.676 176.094 0.304 0.000 1.181 330 V CA -0.541 61.796 62.300 0.061 0.000 1.047 330 V CB 1.074 32.908 31.823 0.019 0.000 1.068 330 V HN 1.701 nan 8.190 nan 0.000 0.441 331 V N -0.995 119.088 119.914 0.281 0.000 3.096 331 V HA 0.572 4.711 4.120 0.033 0.000 0.319 331 V C 1.343 177.600 176.094 0.272 0.000 1.082 331 V CA -0.147 62.374 62.300 0.368 0.000 1.022 331 V CB 1.269 33.292 31.823 0.333 0.000 1.103 331 V HN 1.034 nan 8.190 nan 0.000 0.455 332 K N -0.495 120.065 120.400 0.266 0.000 2.211 332 K HA -0.043 4.296 4.320 0.033 0.000 0.203 332 K C 0.175 176.877 176.600 0.171 0.000 1.050 332 K CA 1.677 58.077 56.287 0.188 0.000 0.945 332 K CB 0.117 32.703 32.500 0.144 0.000 0.732 332 K HN 0.892 nan 8.250 nan 0.000 0.451 333 D N 0.808 121.313 120.400 0.175 0.000 2.772 333 D HA 0.026 4.685 4.640 0.033 0.000 0.326 333 D C 0.154 176.555 176.300 0.168 0.000 1.207 333 D CA -0.088 54.005 54.000 0.156 0.000 0.777 333 D CB 1.196 42.064 40.800 0.112 0.000 1.169 333 D HN 0.094 nan 8.370 nan 0.000 0.506 334 E N 0.734 121.058 120.200 0.207 0.000 2.048 334 E HA -0.173 4.197 4.350 0.033 0.000 0.202 334 E C 1.997 178.777 176.600 0.301 0.000 1.021 334 E CA 1.260 57.829 56.400 0.281 0.000 0.825 334 E CB -0.165 29.715 29.700 0.300 0.000 0.756 334 E HN 0.426 nan 8.360 nan 0.000 0.454 335 G N 1.032 109.998 108.800 0.278 0.000 2.598 335 G HA2 -0.201 3.779 3.960 0.033 0.000 0.215 335 G HA3 -0.201 3.779 3.960 0.033 0.000 0.215 335 G C 1.693 176.723 174.900 0.217 0.000 1.131 335 G CA 1.111 46.407 45.100 0.328 0.000 0.785 335 G HN 0.369 nan 8.290 nan 0.000 0.539 336 S N -0.063 115.704 115.700 0.112 0.000 2.359 336 S HA -0.247 4.242 4.470 0.033 0.000 0.224 336 S C 2.097 176.639 174.600 -0.097 0.000 1.035 336 S CA 1.335 59.550 58.200 0.025 0.000 1.018 336 S CB -0.741 62.387 63.200 -0.120 0.000 0.876 336 S HN 0.423 nan 8.310 nan 0.000 0.448 337 Y N 1.978 122.045 120.300 -0.389 0.000 2.081 337 Y HA -0.193 4.376 4.550 0.032 0.000 0.280 337 Y C 1.879 177.579 175.900 -0.333 0.000 1.163 337 Y CA 2.079 59.824 58.100 -0.592 0.000 1.135 337 Y CB -0.700 37.228 38.460 -0.887 0.000 0.970 337 Y HN 0.323 nan 8.280 nan 0.000 0.498 338 F N -0.791 119.263 119.950 0.173 0.000 2.502 338 F HA -0.132 4.414 4.527 0.032 0.000 0.298 338 F C 1.992 177.879 175.800 0.144 0.000 1.111 338 F CA 0.516 58.623 58.000 0.178 0.000 1.445 338 F CB -0.458 38.679 39.000 0.230 0.000 1.081 338 F HN 0.043 nan 8.300 nan 0.000 0.558 339 L N -0.013 121.318 121.223 0.181 0.000 2.056 339 L HA -0.164 4.196 4.340 0.033 0.000 0.207 339 L C 2.655 179.636 176.870 0.185 0.000 1.078 339 L CA 1.174 56.016 54.840 0.003 0.000 0.749 339 L CB -0.900 40.942 42.059 -0.362 0.000 0.901 339 L HN 0.200 nan 8.230 nan 0.000 0.433 340 V N -3.147 116.934 119.914 0.279 0.000 2.867 340 V HA -0.211 3.928 4.120 0.033 0.000 0.260 340 V C 0.594 176.776 176.094 0.147 0.000 1.099 340 V CA 0.797 63.278 62.300 0.301 0.000 1.122 340 V CB -1.186 30.843 31.823 0.342 0.000 0.708 340 V HN 0.198 nan 8.190 nan 0.000 0.490 341 Y N 2.045 122.418 120.300 0.121 0.000 2.595 341 Y HA 0.634 5.203 4.550 0.032 0.000 0.347 341 Y C 1.507 177.452 175.900 0.076 0.000 1.025 341 Y CA -0.146 58.010 58.100 0.093 0.000 1.295 341 Y CB 0.401 38.928 38.460 0.112 0.000 1.147 341 Y HN 0.345 nan 8.280 nan 0.000 0.515 342 G N 2.228 111.099 108.800 0.118 0.000 2.203 342 G HA2 -0.249 3.731 3.960 0.033 0.000 0.263 342 G HA3 -0.249 3.731 3.960 0.033 0.000 0.263 342 G C -0.461 174.498 174.900 0.100 0.000 1.012 342 G CA 0.343 45.493 45.100 0.084 0.000 0.749 342 G HN 0.473 nan 8.290 nan 0.000 0.512 343 V N 1.124 121.123 119.914 0.143 0.000 2.334 343 V HA 0.394 4.534 4.120 0.033 0.000 0.281 343 V C -1.663 174.592 176.094 0.268 0.000 1.016 343 V CA -1.913 60.487 62.300 0.166 0.000 0.832 343 V CB 1.616 33.495 31.823 0.094 0.000 0.999 343 V HN 0.090 nan 8.190 nan 0.000 0.439 344 P HA 0.187 nan 4.420 nan 0.000 0.262 344 P C 1.092 178.484 177.300 0.154 0.000 1.182 344 P CA 1.504 64.686 63.100 0.137 0.000 0.761 344 P CB 0.565 32.314 31.700 0.083 0.000 0.795 345 G N 1.339 110.151 108.800 0.020 0.000 2.213 345 G HA2 -0.229 3.750 3.960 0.033 0.000 0.236 345 G HA3 -0.229 3.750 3.960 0.033 0.000 0.236 345 G C -0.168 174.498 174.900 -0.389 0.000 0.991 345 G CA -0.556 44.416 45.100 -0.213 0.000 0.629 345 G HN 0.413 nan 8.290 nan 0.000 0.517 346 F N 1.587 121.533 119.950 -0.006 0.000 2.436 346 F HA 0.757 5.302 4.527 0.031 0.000 0.340 346 F C 0.538 176.421 175.800 0.140 0.000 1.113 346 F CA -0.104 57.910 58.000 0.022 0.000 1.022 346 F CB 2.331 41.397 39.000 0.109 0.000 1.128 346 F HN 0.313 nan 8.300 nan 0.000 0.466 347 S N 1.904 117.823 115.700 0.365 0.000 2.547 347 S HA 0.309 4.799 4.470 0.033 0.000 0.270 347 S C 0.010 174.898 174.600 0.479 0.000 1.150 347 S CA -0.922 57.509 58.200 0.386 0.000 0.850 347 S CB 1.471 64.804 63.200 0.222 0.000 1.118 347 S HN 0.728 nan 8.310 nan 0.000 0.461 348 K N 1.111 121.708 120.400 0.328 0.000 2.525 348 K HA 0.171 4.511 4.320 0.033 0.000 0.192 348 K C 0.360 176.992 176.600 0.054 0.000 1.029 348 K CA 1.118 57.498 56.287 0.155 0.000 1.029 348 K CB -0.020 32.290 32.500 -0.316 0.000 0.814 348 K HN 0.472 nan 8.250 nan 0.000 0.503 349 D N 0.551 121.001 120.400 0.084 0.000 2.323 349 D HA -0.013 4.647 4.640 0.033 0.000 0.218 349 D C -0.060 176.269 176.300 0.049 0.000 0.973 349 D CA 0.502 54.513 54.000 0.018 0.000 0.890 349 D CB 0.059 40.865 40.800 0.010 0.000 1.011 349 D HN 0.442 nan 8.370 nan 0.000 0.499 350 N N -0.052 118.685 118.700 0.063 0.000 2.518 350 N HA 0.133 4.893 4.740 0.033 0.000 0.284 350 N C 0.406 175.919 175.510 0.005 0.000 1.230 350 N CA -0.515 52.542 53.050 0.012 0.000 0.941 350 N CB 0.703 39.160 38.487 -0.051 0.000 1.219 350 N HN -0.266 nan 8.380 nan 0.000 0.560 351 E N -0.754 119.403 120.200 -0.071 0.000 2.472 351 E HA -0.046 4.323 4.350 0.033 0.000 0.200 351 E C -0.449 175.807 176.600 -0.574 0.000 1.046 351 E CA 0.373 56.679 56.400 -0.157 0.000 0.871 351 E CB -0.260 29.397 29.700 -0.071 0.000 0.806 351 E HN 0.609 nan 8.360 nan 0.000 0.533 352 S N -0.292 115.073 115.700 -0.558 0.000 3.635 352 S HA -0.193 4.296 4.470 0.033 0.000 0.328 352 S C 0.199 174.374 174.600 -0.709 0.000 1.135 352 S CA 0.145 57.870 58.200 -0.792 0.000 0.942 352 S CB -1.919 60.477 63.200 -1.340 0.000 0.930 352 S HN 0.293 nan 8.310 nan 0.000 0.512 353 L N 1.773 122.735 121.223 -0.435 0.000 2.477 353 L HA 0.396 4.755 4.340 0.033 0.000 0.272 353 L C 0.714 177.401 176.870 -0.304 0.000 1.157 353 L CA 0.085 54.740 54.840 -0.308 0.000 0.889 353 L CB -0.048 41.895 42.059 -0.193 0.000 1.158 353 L HN 0.440 nan 8.230 nan 0.000 0.473 354 I N 0.081 120.482 120.570 -0.281 0.000 2.750 354 I HA 0.638 4.828 4.170 0.033 0.000 0.308 354 I C 0.455 176.508 176.117 -0.108 0.000 1.016 354 I CA -0.682 60.480 61.300 -0.230 0.000 1.098 354 I CB 1.976 39.809 38.000 -0.279 0.000 1.279 354 I HN 0.561 nan 8.210 nan 0.000 0.454 355 S N 2.934 118.594 115.700 -0.067 0.000 2.601 355 S HA 0.323 4.812 4.470 0.033 0.000 0.271 355 S C 1.002 175.619 174.600 0.029 0.000 1.305 355 S CA -0.398 57.787 58.200 -0.024 0.000 1.022 355 S CB 1.505 64.696 63.200 -0.016 0.000 0.940 355 S HN 0.909 nan 8.310 nan 0.000 0.525 356 R N 1.602 122.116 120.500 0.024 0.000 2.091 356 R HA -0.126 4.233 4.340 0.033 0.000 0.238 356 R C 2.327 178.714 176.300 0.144 0.000 1.136 356 R CA 1.803 57.946 56.100 0.072 0.000 0.959 356 R CB -1.122 29.192 30.300 0.023 0.000 0.856 356 R HN 0.868 nan 8.270 nan 0.000 0.437 357 A N 0.489 123.362 122.820 0.088 0.000 1.902 357 A HA -0.230 4.110 4.320 0.033 0.000 0.217 357 A C 2.069 179.708 177.584 0.091 0.000 1.181 357 A CA 1.618 53.704 52.037 0.082 0.000 0.623 357 A CB -0.551 18.478 19.000 0.049 0.000 0.818 357 A HN 0.540 nan 8.150 nan 0.000 0.443 358 Q N -1.805 118.048 119.800 0.087 0.000 2.112 358 Q HA -0.214 4.145 4.340 0.033 0.000 0.206 358 Q C 1.904 177.999 176.000 0.157 0.000 0.987 358 Q CA 1.820 57.678 55.803 0.093 0.000 0.858 358 Q CB -0.340 28.427 28.738 0.049 0.000 0.905 358 Q HN 0.797 nan 8.270 nan 0.000 0.420 359 F N 0.834 120.816 119.950 0.053 0.000 2.234 359 F HA -0.149 4.401 4.527 0.039 0.000 0.299 359 F C 1.615 177.454 175.800 0.065 0.000 1.087 359 F CA 0.998 59.045 58.000 0.079 0.000 1.340 359 F CB 0.127 39.161 39.000 0.056 0.000 1.031 359 F HN -0.040 nan 8.300 nan 0.000 0.500 360 L N -0.285 120.961 121.223 0.038 0.000 2.131 360 L HA -0.041 4.318 4.340 0.033 0.000 0.206 360 L C 2.744 179.563 176.870 -0.086 0.000 1.087 360 L CA 0.930 55.735 54.840 -0.058 0.000 0.767 360 L CB -1.298 40.799 42.059 0.065 0.000 0.917 360 L HN 0.193 nan 8.230 nan 0.000 0.441 361 A N 0.669 123.471 122.820 -0.030 0.000 1.968 361 A HA 0.007 4.346 4.320 0.033 0.000 0.217 361 A C 2.405 179.961 177.584 -0.046 0.000 1.169 361 A CA 1.270 53.293 52.037 -0.023 0.000 0.638 361 A CB -1.002 18.004 19.000 0.010 0.000 0.812 361 A HN 0.398 nan 8.150 nan 0.000 0.446 362 G N -0.452 108.316 108.800 -0.053 0.000 2.442 362 G HA2 -0.122 3.857 3.960 0.033 0.000 0.219 362 G HA3 -0.122 3.857 3.960 0.033 0.000 0.219 362 G C 1.454 176.254 174.900 -0.167 0.000 1.141 362 G CA 1.293 46.358 45.100 -0.059 0.000 0.763 362 G HN 0.304 nan 8.290 nan 0.000 0.554 363 V N 0.708 120.452 119.914 -0.284 0.000 2.453 363 V HA -0.061 4.078 4.120 0.033 0.000 0.247 363 V C 2.894 178.902 176.094 -0.144 0.000 1.048 363 V CA 1.290 63.431 62.300 -0.265 0.000 1.049 363 V CB -0.310 31.297 31.823 -0.359 0.000 0.672 363 V HN 0.205 nan 8.190 nan 0.000 0.457 364 R N -0.264 120.171 120.500 -0.108 0.000 2.152 364 R HA 0.005 4.365 4.340 0.033 0.000 0.232 364 R C 1.977 178.237 176.300 -0.068 0.000 1.117 364 R CA 1.306 57.366 56.100 -0.067 0.000 0.981 364 R CB -0.693 29.581 30.300 -0.042 0.000 0.870 364 R HN 0.463 nan 8.270 nan 0.000 0.451 365 I N -0.671 119.853 120.570 -0.075 0.000 2.429 365 I HA -0.047 4.143 4.170 0.033 0.000 0.247 365 I C 2.356 178.406 176.117 -0.112 0.000 1.099 365 I CA 1.203 62.462 61.300 -0.070 0.000 1.422 365 I CB -0.415 37.562 38.000 -0.039 0.000 1.112 365 I HN 0.172 nan 8.210 nan 0.000 0.430 366 G N 0.238 108.953 108.800 -0.142 0.000 2.422 366 G HA2 -0.087 3.893 3.960 0.033 0.000 0.218 366 G HA3 -0.087 3.893 3.960 0.033 0.000 0.218 366 G C 0.779 175.555 174.900 -0.208 0.000 1.140 366 G CA 0.441 45.420 45.100 -0.202 0.000 0.775 366 G HN 0.214 nan 8.290 nan 0.000 0.545 367 V N 2.307 122.124 119.914 -0.161 0.000 2.235 367 V HA 0.233 4.373 4.120 0.033 0.000 0.266 367 V C -1.514 174.519 176.094 -0.103 0.000 1.055 367 V CA -1.148 61.047 62.300 -0.175 0.000 0.844 367 V CB 1.604 33.328 31.823 -0.164 0.000 1.097 367 V HN 0.121 nan 8.190 nan 0.000 0.453 368 P HA -0.031 nan 4.420 nan 0.000 0.236 368 P C 0.971 178.251 177.300 -0.035 0.000 1.177 368 P CA 0.581 63.647 63.100 -0.057 0.000 0.773 368 P CB 0.536 32.201 31.700 -0.058 0.000 0.878 369 Q N 0.353 120.139 119.800 -0.024 0.000 2.297 369 Q HA 0.116 4.475 4.340 0.033 0.000 0.204 369 Q C 1.185 177.175 176.000 -0.017 0.000 0.962 369 Q CA 0.510 56.308 55.803 -0.008 0.000 0.879 369 Q CB -0.837 27.916 28.738 0.025 0.000 0.947 369 Q HN 0.173 nan 8.270 nan 0.000 0.462 370 A N 1.457 124.260 122.820 -0.028 0.000 2.488 370 A HA 0.346 4.685 4.320 0.033 0.000 0.249 370 A C 0.454 178.027 177.584 -0.017 0.000 1.083 370 A CA -0.218 51.805 52.037 -0.023 0.000 0.768 370 A CB 0.072 19.060 19.000 -0.021 0.000 1.017 370 A HN 0.344 nan 8.150 nan 0.000 0.496 371 S N 2.119 117.809 115.700 -0.016 0.000 2.617 371 S HA 0.110 4.599 4.470 0.033 0.000 0.259 371 S C 0.657 175.258 174.600 0.002 0.000 1.301 371 S CA 0.039 58.233 58.200 -0.010 0.000 0.984 371 S CB 0.480 63.670 63.200 -0.016 0.000 0.954 371 S HN 0.672 nan 8.310 nan 0.000 0.572 372 D N 0.063 120.467 120.400 0.007 0.000 2.126 372 D HA -0.145 4.514 4.640 0.033 0.000 0.190 372 D C 1.822 178.142 176.300 0.033 0.000 1.001 372 D CA 1.363 55.374 54.000 0.018 0.000 0.841 372 D CB -0.283 40.528 40.800 0.018 0.000 0.949 372 D HN 0.395 nan 8.370 nan 0.000 0.446 373 L N 1.222 122.464 121.223 0.031 0.000 1.989 373 L HA -0.130 4.230 4.340 0.033 0.000 0.211 373 L C 2.356 179.270 176.870 0.074 0.000 1.071 373 L CA 1.987 56.858 54.840 0.051 0.000 0.749 373 L CB -1.065 41.016 42.059 0.037 0.000 0.890 373 L HN -0.033 nan 8.230 nan 0.000 0.431 374 A N -0.961 121.885 122.820 0.044 0.000 1.972 374 A HA -0.081 4.258 4.320 0.033 0.000 0.219 374 A C 2.419 180.054 177.584 0.084 0.000 1.169 374 A CA 1.694 53.763 52.037 0.053 0.000 0.635 374 A CB -1.004 17.984 19.000 -0.020 0.000 0.810 374 A HN 0.560 nan 8.150 nan 0.000 0.446 375 A N -0.241 122.613 122.820 0.056 0.000 1.858 375 A HA -0.178 4.162 4.320 0.033 0.000 0.216 375 A C 1.985 179.626 177.584 0.096 0.000 1.190 375 A CA 2.146 54.215 52.037 0.054 0.000 0.617 375 A CB -0.529 18.485 19.000 0.023 0.000 0.827 375 A HN 0.461 nan 8.150 nan 0.000 0.443 376 E N 0.120 120.383 120.200 0.104 0.000 2.085 376 E HA -0.104 4.266 4.350 0.033 0.000 0.194 376 E C 2.128 178.833 176.600 0.174 0.000 0.994 376 E CA 1.586 58.066 56.400 0.133 0.000 0.801 376 E CB -0.565 29.202 29.700 0.113 0.000 0.743 376 E HN 0.484 nan 8.360 nan 0.000 0.453 377 A N -0.036 122.903 122.820 0.199 0.000 1.865 377 A HA -0.192 4.148 4.320 0.033 0.000 0.217 377 A C 2.570 180.283 177.584 0.215 0.000 1.191 377 A CA 1.917 54.108 52.037 0.257 0.000 0.623 377 A CB -0.991 18.274 19.000 0.442 0.000 0.826 377 A HN 0.190 nan 8.150 nan 0.000 0.444 378 V N -0.468 119.614 119.914 0.280 0.000 2.287 378 V HA -0.249 3.890 4.120 0.033 0.000 0.248 378 V C 2.600 178.890 176.094 0.326 0.000 1.053 378 V CA 2.030 64.502 62.300 0.287 0.000 1.027 378 V CB -0.757 31.209 31.823 0.238 0.000 0.646 378 V HN 0.380 nan 8.190 nan 0.000 0.447 379 V N -0.205 119.862 119.914 0.255 0.000 2.255 379 V HA -0.280 3.860 4.120 0.033 0.000 0.247 379 V C 2.271 178.576 176.094 0.351 0.000 1.051 379 V CA 2.227 64.727 62.300 0.334 0.000 1.018 379 V CB -0.495 31.481 31.823 0.255 0.000 0.641 379 V HN 0.457 nan 8.190 nan 0.000 0.445 380 L N -0.772 120.637 121.223 0.310 0.000 2.141 380 L HA -0.179 4.180 4.340 0.033 0.000 0.209 380 L C 2.510 179.576 176.870 0.325 0.000 1.094 380 L CA 1.900 56.986 54.840 0.411 0.000 0.763 380 L CB -0.816 41.437 42.059 0.323 0.000 0.908 380 L HN 0.495 nan 8.230 nan 0.000 0.437 381 H N -0.547 118.518 119.070 -0.009 0.000 2.326 381 H HA -0.197 4.381 4.556 0.036 0.000 0.301 381 H C 1.869 177.092 175.328 -0.174 0.000 1.081 381 H CA 1.891 57.778 56.048 -0.268 0.000 1.334 381 H CB -0.052 29.191 29.762 -0.865 0.000 1.385 381 H HN 0.227 nan 8.280 nan 0.000 0.504 382 Y N 0.256 120.602 120.300 0.077 0.000 2.511 382 Y HA 0.103 4.672 4.550 0.031 0.000 0.279 382 Y C 0.663 176.522 175.900 -0.069 0.000 1.157 382 Y CA 0.352 58.517 58.100 0.108 0.000 1.300 382 Y CB 0.348 39.026 38.460 0.364 0.000 1.052 382 Y HN 0.087 nan 8.280 nan 0.000 0.529 383 T N 1.364 115.856 114.554 -0.104 0.000 2.870 383 T HA -0.071 4.298 4.350 0.033 0.000 0.300 383 T C -0.140 174.179 174.700 -0.634 0.000 0.989 383 T CA -0.331 61.437 62.100 -0.554 0.000 1.139 383 T CB 0.337 68.571 68.868 -1.057 0.000 0.920 383 T HN 0.078 nan 8.240 nan 0.000 0.537 384 D N 2.221 122.317 120.400 -0.507 0.000 2.402 384 D HA 0.041 4.701 4.640 0.033 0.000 0.235 384 D C 0.092 176.118 176.300 -0.456 0.000 1.226 384 D CA -0.448 53.320 54.000 -0.386 0.000 0.918 384 D CB 0.307 40.901 40.800 -0.342 0.000 1.043 384 D HN 0.641 nan 8.370 nan 0.000 0.506 385 W N 3.116 124.309 121.300 -0.179 0.000 2.848 385 W HA -0.002 4.675 4.660 0.028 0.000 0.241 385 W C 1.883 178.275 176.519 -0.213 0.000 1.289 385 W CA -0.379 56.868 57.345 -0.163 0.000 1.396 385 W CB 0.193 29.573 29.460 -0.133 0.000 1.138 385 W HN 0.438 nan 8.180 nan 0.000 0.677 386 L N -1.300 119.805 121.223 -0.197 0.000 2.298 386 L HA 0.059 4.419 4.340 0.033 0.000 0.209 386 L C 0.220 176.765 176.870 -0.540 0.000 1.084 386 L CA 1.140 55.735 54.840 -0.409 0.000 0.816 386 L CB 0.011 41.671 42.059 -0.665 0.000 0.967 386 L HN -0.067 nan 8.230 nan 0.000 0.460 387 H N -2.002 116.954 119.070 -0.190 0.000 2.348 387 H HA 0.263 4.826 4.556 0.012 0.000 0.232 387 H C -2.034 173.142 175.328 -0.253 0.000 1.419 387 H CA -1.686 54.235 56.048 -0.212 0.000 1.416 387 H CB 0.140 29.724 29.762 -0.295 0.000 1.510 387 H HN -0.012 nan 8.280 nan 0.000 0.507 388 P HA -0.113 nan 4.420 nan 0.000 0.226 388 P C 0.944 178.117 177.300 -0.212 0.000 1.153 388 P CA 1.020 63.950 63.100 -0.284 0.000 0.777 388 P CB 0.581 32.174 31.700 -0.179 0.000 0.794 389 E N -1.233 118.905 120.200 -0.103 0.000 2.490 389 E HA 0.029 4.399 4.350 0.033 0.000 0.209 389 E C 0.115 176.681 176.600 -0.057 0.000 0.971 389 E CA 0.057 56.413 56.400 -0.072 0.000 0.988 389 E CB -0.133 29.549 29.700 -0.030 0.000 1.029 389 E HN 0.202 nan 8.360 nan 0.000 0.496 390 D N 3.173 123.554 120.400 -0.031 0.000 2.412 390 D HA -0.026 4.633 4.640 0.033 0.000 0.257 390 D C -1.284 175.009 176.300 -0.011 0.000 1.217 390 D CA -1.608 52.395 54.000 0.006 0.000 0.897 390 D CB 1.216 42.065 40.800 0.081 0.000 1.132 390 D HN -0.104 nan 8.370 nan 0.000 0.493 391 P HA -0.146 nan 4.420 nan 0.000 0.218 391 P C 1.087 178.340 177.300 -0.077 0.000 1.149 391 P CA 1.029 64.084 63.100 -0.076 0.000 0.817 391 P CB 0.113 31.757 31.700 -0.093 0.000 0.785 392 T N -0.731 113.786 114.554 -0.062 0.000 2.684 392 T HA -0.181 4.189 4.350 0.033 0.000 0.267 392 T C 1.687 176.327 174.700 -0.100 0.000 1.036 392 T CA 1.771 63.816 62.100 -0.092 0.000 1.148 392 T CB -1.144 67.649 68.868 -0.124 0.000 0.863 392 T HN 0.308 nan 8.240 nan 0.000 0.436 393 H N 0.577 119.612 119.070 -0.059 0.000 2.389 393 H HA 0.162 4.732 4.556 0.023 0.000 0.299 393 H C 2.095 177.355 175.328 -0.114 0.000 1.081 393 H CA 0.942 56.955 56.048 -0.058 0.000 1.345 393 H CB -0.335 29.386 29.762 -0.068 0.000 1.393 393 H HN 0.210 nan 8.280 nan 0.000 0.520 394 L N -0.140 121.036 121.223 -0.077 0.000 2.109 394 L HA -0.089 4.270 4.340 0.033 0.000 0.207 394 L C 2.704 179.601 176.870 0.045 0.000 1.086 394 L CA 0.813 55.495 54.840 -0.263 0.000 0.760 394 L CB -0.261 41.616 42.059 -0.303 0.000 0.910 394 L HN 0.190 nan 8.230 nan 0.000 0.437 395 R N 0.714 121.258 120.500 0.074 0.000 2.070 395 R HA -0.179 4.181 4.340 0.033 0.000 0.233 395 R C 1.652 178.137 176.300 0.309 0.000 1.137 395 R CA 2.100 58.322 56.100 0.203 0.000 0.945 395 R CB -0.461 29.806 30.300 -0.055 0.000 0.845 395 R HN 0.298 nan 8.270 nan 0.000 0.430 396 D N 0.453 120.966 120.400 0.190 0.000 2.178 396 D HA -0.101 4.559 4.640 0.033 0.000 0.201 396 D C 1.699 178.140 176.300 0.235 0.000 0.980 396 D CA 1.354 55.481 54.000 0.212 0.000 0.842 396 D CB -0.147 40.719 40.800 0.111 0.000 0.948 396 D HN 0.387 nan 8.370 nan 0.000 0.472 397 A N 0.648 123.601 122.820 0.221 0.000 1.873 397 A HA -0.163 4.176 4.320 0.033 0.000 0.215 397 A C 2.150 179.944 177.584 0.350 0.000 1.186 397 A CA 1.489 53.699 52.037 0.288 0.000 0.616 397 A CB -0.509 18.578 19.000 0.146 0.000 0.823 397 A HN 0.122 nan 8.150 nan 0.000 0.442 398 M N 0.265 120.146 119.600 0.468 0.000 2.082 398 M HA -0.146 4.354 4.480 0.033 0.000 0.258 398 M C 2.348 178.698 176.300 0.083 0.000 1.069 398 M CA 2.177 57.653 55.300 0.293 0.000 1.102 398 M CB -0.684 32.116 32.600 0.333 0.000 1.336 398 M HN 0.461 nan 8.290 nan 0.000 0.404 399 S N -0.420 115.364 115.700 0.140 0.000 2.365 399 S HA -0.176 4.314 4.470 0.033 0.000 0.225 399 S C 2.030 176.713 174.600 0.137 0.000 1.039 399 S CA 1.854 60.140 58.200 0.144 0.000 1.033 399 S CB -0.631 62.719 63.200 0.251 0.000 0.887 399 S HN 0.627 nan 8.310 nan 0.000 0.447 400 A N 0.881 123.801 122.820 0.166 0.000 1.858 400 A HA 0.004 4.343 4.320 0.033 0.000 0.216 400 A C 2.408 180.030 177.584 0.064 0.000 1.190 400 A CA 1.830 53.988 52.037 0.200 0.000 0.617 400 A CB -1.255 17.963 19.000 0.362 0.000 0.827 400 A HN 0.475 nan 8.150 nan 0.000 0.443 401 V N -0.463 119.322 119.914 -0.215 0.000 2.282 401 V HA -0.273 3.866 4.120 0.033 0.000 0.249 401 V C 2.553 178.585 176.094 -0.103 0.000 1.057 401 V CA 2.242 64.359 62.300 -0.306 0.000 1.032 401 V CB -0.802 30.841 31.823 -0.300 0.000 0.645 401 V HN 0.374 nan 8.190 nan 0.000 0.447 402 V N 0.331 120.194 119.914 -0.084 0.000 2.379 402 V HA -0.089 4.051 4.120 0.033 0.000 0.245 402 V C 2.573 178.630 176.094 -0.061 0.000 1.044 402 V CA 1.951 64.184 62.300 -0.110 0.000 1.036 402 V CB -1.120 30.643 31.823 -0.101 0.000 0.664 402 V HN 0.611 nan 8.190 nan 0.000 0.453 403 G N -0.011 108.823 108.800 0.057 0.000 2.459 403 G HA2 -0.282 3.697 3.960 0.033 0.000 0.217 403 G HA3 -0.282 3.697 3.960 0.033 0.000 0.217 403 G C 1.224 176.145 174.900 0.035 0.000 1.183 403 G CA 1.232 46.400 45.100 0.113 0.000 0.776 403 G HN 0.506 nan 8.290 nan 0.000 0.552 404 D N -0.181 120.236 120.400 0.028 0.000 2.084 404 D HA -0.106 4.553 4.640 0.033 0.000 0.194 404 D C 2.106 178.173 176.300 -0.389 0.000 0.990 404 D CA 1.473 55.450 54.000 -0.038 0.000 0.826 404 D CB -0.673 40.269 40.800 0.236 0.000 0.971 404 D HN 0.440 nan 8.370 nan 0.000 0.453 405 H N 0.913 119.480 119.070 -0.839 0.000 2.352 405 H HA -0.016 4.560 4.556 0.032 0.000 0.299 405 H C 1.478 176.517 175.328 -0.481 0.000 1.097 405 H CA 1.845 57.183 56.048 -1.184 0.000 1.311 405 H CB 0.016 29.013 29.762 -1.275 0.000 1.377 405 H HN 0.040 nan 8.280 nan 0.000 0.504 406 N N -0.944 117.515 118.700 -0.401 0.000 2.415 406 N HA 0.006 4.765 4.740 0.033 0.000 0.174 406 N C 1.265 176.839 175.510 0.106 0.000 1.048 406 N CA 1.066 54.025 53.050 -0.153 0.000 0.895 406 N CB 1.042 39.469 38.487 -0.100 0.000 1.036 406 N HN 0.263 nan 8.380 nan 0.000 0.449 407 V N -0.068 119.870 119.914 0.040 0.000 3.134 407 V HA 0.034 4.173 4.120 0.033 0.000 0.222 407 V C 2.234 178.359 176.094 0.051 0.000 1.247 407 V CA 0.278 62.651 62.300 0.123 0.000 1.281 407 V CB -0.126 31.808 31.823 0.186 0.000 1.169 407 V HN -0.151 nan 8.190 nan 0.000 0.512 408 V N -0.055 119.879 119.914 0.034 0.000 2.261 408 V HA -0.286 3.854 4.120 0.033 0.000 0.246 408 V C 2.497 178.596 176.094 0.008 0.000 1.047 408 V CA 2.493 64.809 62.300 0.026 0.000 1.015 408 V CB -0.976 30.888 31.823 0.068 0.000 0.642 408 V HN 0.638 nan 8.190 nan 0.000 0.446 409 c N -0.154 118.445 118.600 -0.001 0.000 2.466 409 c HA 0.012 4.601 4.570 0.033 0.000 0.278 409 c C 0.650 174.744 174.090 0.008 0.000 1.288 409 c CA 0.993 57.343 56.329 0.035 0.000 1.722 409 c CB -1.851 40.703 42.510 0.073 0.000 2.017 409 c HN 0.451 nan 8.230 nan 0.000 0.488 410 P HA -0.089 nan 4.420 nan 0.000 0.216 410 P C 1.697 178.974 177.300 -0.038 0.000 1.150 410 P CA 1.431 64.508 63.100 -0.038 0.000 0.843 410 P CB -0.163 31.507 31.700 -0.049 0.000 0.787 411 V N -0.251 119.640 119.914 -0.038 0.000 2.427 411 V HA -0.204 3.936 4.120 0.033 0.000 0.248 411 V C 2.410 178.432 176.094 -0.120 0.000 1.051 411 V CA 2.070 64.320 62.300 -0.082 0.000 1.048 411 V CB -1.599 30.166 31.823 -0.095 0.000 0.666 411 V HN 0.098 nan 8.190 nan 0.000 0.456 412 A N -1.203 121.570 122.820 -0.079 0.000 1.930 412 A HA -0.258 4.081 4.320 0.033 0.000 0.217 412 A C 2.233 179.813 177.584 -0.006 0.000 1.175 412 A CA 1.829 53.829 52.037 -0.062 0.000 0.627 412 A CB -0.438 18.577 19.000 0.025 0.000 0.815 412 A HN 0.540 nan 8.150 nan 0.000 0.443 413 Q N -0.949 118.858 119.800 0.012 0.000 2.046 413 Q HA -0.137 4.222 4.340 0.033 0.000 0.200 413 Q C 2.113 178.123 176.000 0.017 0.000 0.975 413 Q CA 1.602 57.427 55.803 0.037 0.000 0.836 413 Q CB -0.177 28.581 28.738 0.033 0.000 0.896 413 Q HN 0.616 nan 8.270 nan 0.000 0.428 414 L N 0.516 121.721 121.223 -0.030 0.000 2.056 414 L HA -0.091 4.268 4.340 0.033 0.000 0.207 414 L C 2.206 179.042 176.870 -0.056 0.000 1.078 414 L CA 2.020 56.826 54.840 -0.056 0.000 0.749 414 L CB -0.559 41.444 42.059 -0.094 0.000 0.901 414 L HN 0.157 nan 8.230 nan 0.000 0.433 415 A N -0.281 122.483 122.820 -0.094 0.000 1.908 415 A HA -0.104 4.236 4.320 0.033 0.000 0.218 415 A C 2.339 180.015 177.584 0.154 0.000 1.181 415 A CA 1.627 53.590 52.037 -0.123 0.000 0.627 415 A CB -1.676 17.019 19.000 -0.508 0.000 0.818 415 A HN 0.547 nan 8.150 nan 0.000 0.445 416 G N -0.625 108.313 108.800 0.230 0.000 2.446 416 G HA2 -0.229 3.751 3.960 0.033 0.000 0.217 416 G HA3 -0.229 3.751 3.960 0.033 0.000 0.217 416 G C 1.675 176.673 174.900 0.162 0.000 1.168 416 G CA 0.886 46.157 45.100 0.285 0.000 0.771 416 G HN 0.398 nan 8.290 nan 0.000 0.551 417 R N 0.223 120.788 120.500 0.109 0.000 2.075 417 R HA 0.146 4.505 4.340 0.033 0.000 0.232 417 R C 2.680 179.062 176.300 0.137 0.000 1.126 417 R CA 0.471 56.639 56.100 0.113 0.000 0.963 417 R CB -1.171 29.191 30.300 0.103 0.000 0.858 417 R HN 0.415 nan 8.270 nan 0.000 0.435 418 L N 0.223 121.481 121.223 0.057 0.000 2.046 418 L HA -0.106 4.253 4.340 0.033 0.000 0.208 418 L C 2.579 179.519 176.870 0.117 0.000 1.077 418 L CA 1.420 56.276 54.840 0.027 0.000 0.747 418 L CB -0.708 41.267 42.059 -0.139 0.000 0.896 418 L HN 0.133 nan 8.230 nan 0.000 0.432 419 A N 0.206 123.094 122.820 0.115 0.000 1.877 419 A HA -0.174 4.165 4.320 0.033 0.000 0.216 419 A C 2.563 180.196 177.584 0.081 0.000 1.186 419 A CA 1.765 53.862 52.037 0.100 0.000 0.620 419 A CB -0.800 18.275 19.000 0.125 0.000 0.822 419 A HN 0.388 nan 8.150 nan 0.000 0.443 420 A N -1.065 121.810 122.820 0.092 0.000 1.908 420 A HA -0.187 4.153 4.320 0.033 0.000 0.218 420 A C 1.853 179.488 177.584 0.085 0.000 1.181 420 A CA 1.841 53.923 52.037 0.075 0.000 0.627 420 A CB -0.386 18.661 19.000 0.079 0.000 0.818 420 A HN 0.571 nan 8.150 nan 0.000 0.445 421 Q N -1.620 118.263 119.800 0.138 0.000 2.237 421 Q HA 0.412 4.772 4.340 0.033 0.000 0.252 421 Q C 0.788 176.874 176.000 0.144 0.000 0.877 421 Q CA 0.563 56.447 55.803 0.135 0.000 1.011 421 Q CB 0.302 29.142 28.738 0.170 0.000 1.118 421 Q HN 0.847 nan 8.270 nan 0.000 0.458 422 G N -0.835 108.033 108.800 0.113 0.000 2.175 422 G HA2 -0.283 3.696 3.960 0.033 0.000 0.244 422 G HA3 -0.283 3.696 3.960 0.033 0.000 0.244 422 G C 0.345 175.308 174.900 0.105 0.000 0.982 422 G CA -0.103 45.048 45.100 0.086 0.000 0.641 422 G HN 0.592 nan 8.290 nan 0.000 0.527 423 A N -0.214 122.694 122.820 0.147 0.000 2.346 423 A HA 0.723 5.063 4.320 0.033 0.000 0.252 423 A C 0.745 178.364 177.584 0.058 0.000 1.089 423 A CA 0.457 52.564 52.037 0.117 0.000 0.797 423 A CB 0.367 19.427 19.000 0.101 0.000 1.047 423 A HN 0.717 nan 8.150 nan 0.000 0.494 424 R N 0.916 121.445 120.500 0.048 0.000 2.215 424 R HA 0.516 4.875 4.340 0.033 0.000 0.336 424 R C -1.724 174.553 176.300 -0.038 0.000 0.996 424 R CA -0.227 55.866 56.100 -0.011 0.000 0.847 424 R CB 0.627 30.944 30.300 0.028 0.000 1.127 424 R HN 0.465 nan 8.270 nan 0.000 0.465 425 V N 5.904 125.733 119.914 -0.140 0.000 2.417 425 V HA 0.375 4.514 4.120 0.033 0.000 0.291 425 V C -1.009 174.909 176.094 -0.293 0.000 1.024 425 V CA -0.717 61.523 62.300 -0.101 0.000 0.861 425 V CB 1.375 33.226 31.823 0.047 0.000 0.985 425 V HN 0.638 nan 8.190 nan 0.000 0.436 426 Y N 2.608 122.829 120.300 -0.131 0.000 2.352 426 Y HA 0.780 5.349 4.550 0.032 0.000 0.339 426 Y C 0.372 176.254 175.900 -0.029 0.000 0.992 426 Y CA -0.480 57.493 58.100 -0.212 0.000 1.100 426 Y CB 2.107 40.093 38.460 -0.790 0.000 1.192 426 Y HN 0.742 nan 8.280 nan 0.000 0.458 427 A N 3.236 126.336 122.820 0.467 0.000 2.435 427 A HA 0.855 5.194 4.320 0.033 0.000 0.304 427 A C -1.855 176.083 177.584 0.589 0.000 1.064 427 A CA -0.706 51.512 52.037 0.302 0.000 0.727 427 A CB 1.102 20.068 19.000 -0.056 0.000 1.284 427 A HN 0.731 nan 8.150 nan 0.000 0.415 428 Y N -0.541 119.972 120.300 0.354 0.000 2.609 428 Y HA 0.816 5.385 4.550 0.032 0.000 0.342 428 Y C -1.092 174.910 175.900 0.170 0.000 1.058 428 Y CA -1.786 56.482 58.100 0.279 0.000 1.055 428 Y CB 1.275 39.912 38.460 0.294 0.000 1.292 428 Y HN 0.727 nan 8.280 nan 0.000 0.476 429 I N 2.760 123.619 120.570 0.483 0.000 2.498 429 I HA 0.501 4.691 4.170 0.033 0.000 0.290 429 I C -1.915 174.512 176.117 0.517 0.000 1.032 429 I CA -1.074 60.468 61.300 0.402 0.000 1.073 429 I CB 1.326 39.429 38.000 0.171 0.000 1.251 429 I HN 0.733 nan 8.210 nan 0.000 0.426 430 F N 7.208 127.392 119.950 0.390 0.000 2.385 430 F HA 0.428 4.976 4.527 0.034 0.000 0.360 430 F C 0.484 176.403 175.800 0.198 0.000 1.122 430 F CA 0.014 58.178 58.000 0.273 0.000 1.090 430 F CB 0.983 40.145 39.000 0.272 0.000 1.150 430 F HN 0.559 nan 8.300 nan 0.000 0.472 431 E N 3.064 123.097 120.200 -0.279 0.000 2.630 431 E HA -0.017 4.352 4.350 0.033 0.000 0.218 431 E C -0.793 175.637 176.600 -0.284 0.000 0.977 431 E CA -0.155 56.149 56.400 -0.160 0.000 1.038 431 E CB 0.297 29.957 29.700 -0.066 0.000 1.051 431 E HN 0.523 nan 8.360 nan 0.000 0.487 432 H N 1.532 120.149 119.070 -0.755 0.000 2.594 432 H HA 0.218 4.793 4.556 0.032 0.000 0.304 432 H C -0.408 174.808 175.328 -0.187 0.000 1.068 432 H CA -0.469 55.222 56.048 -0.594 0.000 1.308 432 H CB 0.470 29.641 29.762 -0.984 0.000 1.409 432 H HN -0.147 nan 8.280 nan 0.000 0.460 433 R N 4.215 124.367 120.500 -0.580 0.000 2.234 433 R HA 0.447 4.807 4.340 0.033 0.000 0.324 433 R C -0.541 175.505 176.300 -0.423 0.000 1.054 433 R CA -0.582 55.345 56.100 -0.289 0.000 0.912 433 R CB 0.308 30.517 30.300 -0.152 0.000 1.030 433 R HN 0.813 nan 8.270 nan 0.000 0.455 434 A N 3.289 126.173 122.820 0.108 0.000 2.567 434 A HA -0.017 4.322 4.320 0.033 0.000 0.240 434 A C 1.451 179.155 177.584 0.199 0.000 1.053 434 A CA 0.606 52.907 52.037 0.441 0.000 0.755 434 A CB 0.299 19.672 19.000 0.622 0.000 0.978 434 A HN 1.040 nan 8.150 nan 0.000 0.507 435 S N 1.991 117.838 115.700 0.246 0.000 2.383 435 S HA -0.193 4.297 4.470 0.033 0.000 0.229 435 S C 1.493 176.106 174.600 0.022 0.000 1.030 435 S CA 1.864 60.130 58.200 0.111 0.000 1.002 435 S CB -1.095 62.189 63.200 0.141 0.000 0.829 435 S HN 1.407 nan 8.310 nan 0.000 0.467 436 T N -0.441 114.093 114.554 -0.033 0.000 3.284 436 T HA 0.338 4.707 4.350 0.033 0.000 0.252 436 T C 0.363 175.015 174.700 -0.079 0.000 1.144 436 T CA -0.389 61.620 62.100 -0.153 0.000 1.021 436 T CB -0.779 67.830 68.868 -0.431 0.000 0.984 436 T HN 0.335 nan 8.240 nan 0.000 0.545 437 L N 2.511 123.729 121.223 -0.009 0.000 2.439 437 L HA 0.302 4.662 4.340 0.033 0.000 0.269 437 L C 1.528 178.374 176.870 -0.039 0.000 1.179 437 L CA 0.431 55.258 54.840 -0.021 0.000 0.828 437 L CB 1.047 43.096 42.059 -0.017 0.000 1.106 437 L HN 0.380 nan 8.230 nan 0.000 0.467 438 T N -1.834 112.681 114.554 -0.066 0.000 2.985 438 T HA 0.157 4.527 4.350 0.033 0.000 0.254 438 T C 0.086 174.813 174.700 0.045 0.000 1.021 438 T CA -0.462 61.605 62.100 -0.054 0.000 0.957 438 T CB -0.222 68.524 68.868 -0.204 0.000 1.047 438 T HN 0.383 nan 8.240 nan 0.000 0.511 439 W N 3.308 124.648 121.300 0.068 0.000 2.129 439 W HA 0.495 5.174 4.660 0.032 0.000 0.349 439 W C -2.136 174.306 176.519 -0.129 0.000 1.279 439 W CA -2.005 55.333 57.345 -0.012 0.000 1.306 439 W CB -0.027 29.363 29.460 -0.116 0.000 1.140 439 W HN -0.086 nan 8.180 nan 0.000 0.613 440 P HA 0.101 nan 4.420 nan 0.000 0.276 440 P C 0.523 177.776 177.300 -0.080 0.000 1.252 440 P CA -0.187 62.917 63.100 0.007 0.000 0.802 440 P CB 0.896 32.665 31.700 0.115 0.000 1.035 441 L N 0.014 121.249 121.223 0.021 0.000 2.127 441 L HA -0.124 4.235 4.340 0.033 0.000 0.211 441 L C 2.438 179.330 176.870 0.037 0.000 1.089 441 L CA 1.333 56.187 54.840 0.024 0.000 0.757 441 L CB -0.855 41.242 42.059 0.064 0.000 0.899 441 L HN 0.610 nan 8.230 nan 0.000 0.434 442 W N -0.457 120.881 121.300 0.062 0.000 2.611 442 W HA -0.111 4.567 4.660 0.030 0.000 0.251 442 W C 1.519 178.091 176.519 0.088 0.000 1.265 442 W CA 0.370 57.756 57.345 0.069 0.000 1.295 442 W CB -0.667 28.838 29.460 0.074 0.000 1.129 442 W HN 0.220 nan 8.180 nan 0.000 0.630 443 M N 1.108 120.333 119.600 -0.626 0.000 2.556 443 M HA 0.171 4.670 4.480 0.033 0.000 0.245 443 M C 1.836 178.010 176.300 -0.211 0.000 1.128 443 M CA 1.121 56.043 55.300 -0.629 0.000 1.069 443 M CB -0.317 31.777 32.600 -0.843 0.000 1.469 443 M HN 0.140 nan 8.290 nan 0.000 0.494 444 G N 1.014 109.754 108.800 -0.099 0.000 2.629 444 G HA2 -0.295 3.684 3.960 0.033 0.000 0.313 444 G HA3 -0.295 3.684 3.960 0.033 0.000 0.313 444 G C -0.063 174.831 174.900 -0.011 0.000 1.217 444 G CA 0.008 45.098 45.100 -0.017 0.000 0.994 444 G HN 0.252 nan 8.290 nan 0.000 0.549 445 V N 3.822 123.768 119.914 0.053 0.000 2.277 445 V HA 0.515 4.654 4.120 0.033 0.000 0.269 445 V C -1.923 174.273 176.094 0.169 0.000 1.036 445 V CA -0.755 61.630 62.300 0.141 0.000 0.821 445 V CB 1.292 33.242 31.823 0.213 0.000 1.052 445 V HN 0.583 nan 8.190 nan 0.000 0.462 446 P HA 0.280 nan 4.420 nan 0.000 0.285 446 P C -0.288 177.161 177.300 0.249 0.000 1.269 446 P CA -0.783 62.391 63.100 0.123 0.000 0.844 446 P CB 0.476 32.139 31.700 -0.063 0.000 1.094 447 H N 0.759 119.815 119.070 -0.024 0.000 3.223 447 H HA 0.124 4.699 4.556 0.032 0.000 0.287 447 H C 1.564 176.724 175.328 -0.280 0.000 0.910 447 H CA 2.541 58.485 56.048 -0.173 0.000 1.406 447 H CB -0.672 28.826 29.762 -0.440 0.000 1.377 447 H HN 0.808 nan 8.280 nan 0.000 0.556 448 G N 3.350 111.882 108.800 -0.447 0.000 2.284 448 G HA2 -0.306 3.674 3.960 0.033 0.000 0.216 448 G HA3 -0.306 3.674 3.960 0.033 0.000 0.216 448 G C 0.529 175.287 174.900 -0.237 0.000 1.009 448 G CA 0.214 45.062 45.100 -0.421 0.000 0.625 448 G HN 0.623 nan 8.290 nan 0.000 0.501 449 Y N 2.343 122.734 120.300 0.151 0.000 2.496 449 Y HA 0.275 4.845 4.550 0.033 0.000 0.313 449 Y C 2.290 178.312 175.900 0.204 0.000 1.184 449 Y CA 0.973 59.223 58.100 0.249 0.000 1.275 449 Y CB 0.285 38.933 38.460 0.313 0.000 1.103 449 Y HN 0.556 nan 8.280 nan 0.000 0.513 450 E N -0.126 120.026 120.200 -0.080 0.000 2.251 450 E HA -0.046 4.324 4.350 0.033 0.000 0.194 450 E C 1.687 178.174 176.600 -0.189 0.000 0.964 450 E CA 0.575 56.628 56.400 -0.579 0.000 0.868 450 E CB -0.496 28.530 29.700 -1.124 0.000 0.828 450 E HN 0.520 nan 8.360 nan 0.000 0.481 451 I N 3.254 123.794 120.570 -0.050 0.000 2.151 451 I HA -0.342 3.848 4.170 0.033 0.000 0.243 451 I C 2.765 178.897 176.117 0.024 0.000 1.080 451 I CA 2.347 63.679 61.300 0.054 0.000 1.339 451 I CB -0.521 37.580 38.000 0.168 0.000 1.039 451 I HN 0.250 nan 8.210 nan 0.000 0.409 452 E N 0.899 121.060 120.200 -0.065 0.000 2.160 452 E HA -0.253 4.117 4.350 0.033 0.000 0.195 452 E C 2.066 178.436 176.600 -0.384 0.000 0.991 452 E CA 1.608 57.869 56.400 -0.231 0.000 0.810 452 E CB -0.595 28.943 29.700 -0.269 0.000 0.742 452 E HN 0.473 nan 8.360 nan 0.000 0.466 453 F N 1.181 121.007 119.950 -0.206 0.000 2.187 453 F HA -0.021 4.526 4.527 0.033 0.000 0.295 453 F C 2.351 177.898 175.800 -0.421 0.000 1.091 453 F CA 0.474 58.286 58.000 -0.314 0.000 1.308 453 F CB -0.112 38.759 39.000 -0.216 0.000 1.030 453 F HN -0.032 nan 8.300 nan 0.000 0.487 454 I N -0.767 119.626 120.570 -0.295 0.000 2.286 454 I HA -0.282 3.908 4.170 0.033 0.000 0.248 454 I C 2.103 177.949 176.117 -0.451 0.000 1.115 454 I CA 1.641 62.591 61.300 -0.583 0.000 1.392 454 I CB -1.463 36.049 38.000 -0.813 0.000 1.065 454 I HN 0.094 nan 8.210 nan 0.000 0.418 455 F N 0.848 120.610 119.950 -0.313 0.000 2.661 455 F HA 0.180 4.726 4.527 0.032 0.000 0.298 455 F C 1.882 177.569 175.800 -0.188 0.000 1.137 455 F CA 0.940 58.807 58.000 -0.222 0.000 1.454 455 F CB -0.102 38.752 39.000 -0.245 0.000 1.103 455 F HN 0.297 nan 8.300 nan 0.000 0.577 456 G N -0.262 108.392 108.800 -0.243 0.000 2.131 456 G HA2 -0.270 3.709 3.960 0.033 0.000 0.223 456 G HA3 -0.270 3.709 3.960 0.033 0.000 0.223 456 G C 0.934 175.199 174.900 -1.058 0.000 0.990 456 G CA 0.222 45.037 45.100 -0.475 0.000 0.671 456 G HN 0.274 nan 8.290 nan 0.000 0.521 457 L N 0.620 121.318 121.223 -0.875 0.000 2.083 457 L HA 0.075 4.434 4.340 0.033 0.000 0.209 457 L C 0.342 176.741 176.870 -0.785 0.000 1.083 457 L CA 2.784 57.081 54.840 -0.905 0.000 0.752 457 L CB -0.793 40.994 42.059 -0.453 0.000 0.899 457 L HN 0.213 nan 8.230 nan 0.000 0.433 458 P HA -0.126 nan 4.420 nan 0.000 0.228 458 P C 1.594 178.708 177.300 -0.310 0.000 1.151 458 P CA 0.985 63.685 63.100 -0.667 0.000 0.770 458 P CB -0.032 31.177 31.700 -0.818 0.000 0.786 459 L N -1.255 119.709 121.223 -0.432 0.000 2.551 459 L HA -0.017 4.342 4.340 0.033 0.000 0.228 459 L C 0.898 177.706 176.870 -0.103 0.000 1.153 459 L CA 0.780 55.478 54.840 -0.236 0.000 0.851 459 L CB -0.738 41.190 42.059 -0.219 0.000 0.959 459 L HN 0.066 nan 8.230 nan 0.000 0.451 460 D N 0.885 121.208 120.400 -0.127 0.000 2.359 460 D HA 0.157 4.816 4.640 0.033 0.000 0.230 460 D C -1.769 174.559 176.300 0.047 0.000 1.118 460 D CA -2.095 51.936 54.000 0.051 0.000 0.844 460 D CB 1.978 42.859 40.800 0.137 0.000 1.059 460 D HN -0.111 nan 8.370 nan 0.000 0.493 461 P HA -0.114 nan 4.420 nan 0.000 0.218 461 P C 1.299 178.613 177.300 0.024 0.000 1.149 461 P CA 0.843 63.964 63.100 0.035 0.000 0.817 461 P CB 0.058 31.775 31.700 0.028 0.000 0.785 462 S N -1.248 114.465 115.700 0.023 0.000 2.584 462 S HA -0.076 4.414 4.470 0.033 0.000 0.240 462 S C 1.519 176.108 174.600 -0.020 0.000 0.975 462 S CA 0.881 59.083 58.200 0.002 0.000 0.949 462 S CB -1.378 61.826 63.200 0.006 0.000 0.761 462 S HN 0.122 nan 8.310 nan 0.000 0.536 463 L N 0.401 121.617 121.223 -0.012 0.000 2.616 463 L HA 0.342 4.701 4.340 0.033 0.000 0.229 463 L C 0.106 176.869 176.870 -0.179 0.000 1.110 463 L CA -0.161 54.634 54.840 -0.075 0.000 0.884 463 L CB -0.540 41.522 42.059 0.005 0.000 1.115 463 L HN 0.278 nan 8.230 nan 0.000 0.481 464 N N -1.253 117.396 118.700 -0.085 0.000 2.758 464 N HA -0.244 4.515 4.740 0.033 0.000 0.248 464 N C -0.815 174.621 175.510 -0.124 0.000 1.076 464 N CA 0.170 53.166 53.050 -0.090 0.000 0.696 464 N CB -1.277 37.147 38.487 -0.105 0.000 0.979 464 N HN 0.218 nan 8.380 nan 0.000 0.550 465 Y N 0.954 121.238 120.300 -0.026 0.000 2.319 465 Y HA 0.159 4.729 4.550 0.032 0.000 0.328 465 Y C 1.593 177.512 175.900 0.031 0.000 1.133 465 Y CA -0.337 57.766 58.100 0.006 0.000 1.265 465 Y CB 0.717 39.161 38.460 -0.028 0.000 1.218 465 Y HN 0.084 nan 8.280 nan 0.000 0.508 466 T N -1.507 113.186 114.554 0.231 0.000 2.908 466 T HA -0.111 4.258 4.350 0.033 0.000 0.325 466 T C 1.421 176.199 174.700 0.131 0.000 1.092 466 T CA 0.244 62.433 62.100 0.149 0.000 1.125 466 T CB 0.891 69.845 68.868 0.143 0.000 1.016 466 T HN 0.871 nan 8.240 nan 0.000 0.550 467 T N 0.659 115.261 114.554 0.080 0.000 2.881 467 T HA -0.111 4.258 4.350 0.033 0.000 0.270 467 T C 1.615 176.347 174.700 0.053 0.000 1.068 467 T CA 1.857 63.991 62.100 0.057 0.000 1.131 467 T CB -0.498 68.391 68.868 0.036 0.000 0.871 467 T HN 0.779 nan 8.240 nan 0.000 0.479 468 E N 0.929 121.161 120.200 0.054 0.000 2.028 468 E HA -0.060 4.309 4.350 0.033 0.000 0.191 468 E C 2.301 178.934 176.600 0.055 0.000 0.988 468 E CA 1.377 57.795 56.400 0.029 0.000 0.799 468 E CB -0.168 29.531 29.700 -0.001 0.000 0.755 468 E HN 0.642 nan 8.360 nan 0.000 0.447 469 E N 0.184 120.457 120.200 0.122 0.000 2.160 469 E HA -0.206 4.163 4.350 0.033 0.000 0.195 469 E C 2.089 178.809 176.600 0.199 0.000 0.991 469 E CA 0.580 57.130 56.400 0.250 0.000 0.810 469 E CB -0.034 29.943 29.700 0.462 0.000 0.742 469 E HN 0.029 nan 8.360 nan 0.000 0.466 470 R N 0.891 121.447 120.500 0.093 0.000 2.115 470 R HA -0.114 4.246 4.340 0.033 0.000 0.230 470 R C 2.018 178.317 176.300 -0.000 0.000 1.111 470 R CA 0.965 57.068 56.100 0.005 0.000 0.976 470 R CB -0.136 30.166 30.300 0.004 0.000 0.870 470 R HN 0.230 nan 8.270 nan 0.000 0.445 471 I N -0.205 120.385 120.570 0.034 0.000 2.333 471 I HA -0.214 3.975 4.170 0.033 0.000 0.246 471 I C 2.152 178.291 176.117 0.036 0.000 1.106 471 I CA 0.567 61.878 61.300 0.018 0.000 1.411 471 I CB -0.423 37.589 38.000 0.019 0.000 1.082 471 I HN 0.021 nan 8.210 nan 0.000 0.420 472 F N 2.280 122.166 119.950 -0.107 0.000 2.120 472 F HA -0.320 4.228 4.527 0.034 0.000 0.300 472 F C 2.417 178.162 175.800 -0.093 0.000 1.095 472 F CA 1.320 59.233 58.000 -0.145 0.000 1.249 472 F CB -0.623 38.215 39.000 -0.270 0.000 0.995 472 F HN 0.044 nan 8.300 nan 0.000 0.480 473 A N 0.398 123.147 122.820 -0.119 0.000 1.865 473 A HA -0.252 4.087 4.320 0.033 0.000 0.217 473 A C 2.148 179.582 177.584 -0.249 0.000 1.191 473 A CA 1.914 53.819 52.037 -0.219 0.000 0.623 473 A CB -0.964 17.926 19.000 -0.183 0.000 0.826 473 A HN 0.621 nan 8.150 nan 0.000 0.444 474 Q N -0.689 119.008 119.800 -0.172 0.000 2.135 474 Q HA -0.214 4.145 4.340 0.033 0.000 0.204 474 Q C 2.304 178.179 176.000 -0.209 0.000 0.981 474 Q CA 1.483 57.194 55.803 -0.154 0.000 0.856 474 Q CB -0.297 28.382 28.738 -0.099 0.000 0.902 474 Q HN 0.635 nan 8.270 nan 0.000 0.425 475 R N 0.675 121.022 120.500 -0.254 0.000 2.080 475 R HA -0.098 4.261 4.340 0.033 0.000 0.236 475 R C 2.460 178.409 176.300 -0.585 0.000 1.137 475 R CA 1.283 57.131 56.100 -0.420 0.000 0.943 475 R CB -0.322 29.786 30.300 -0.319 0.000 0.846 475 R HN 0.228 nan 8.270 nan 0.000 0.431 476 L N 0.037 120.995 121.223 -0.441 0.000 2.079 476 L HA -0.214 4.146 4.340 0.033 0.000 0.210 476 L C 2.563 179.350 176.870 -0.139 0.000 1.081 476 L CA 1.339 56.025 54.840 -0.257 0.000 0.752 476 L CB -0.342 41.402 42.059 -0.525 0.000 0.896 476 L HN 0.295 nan 8.230 nan 0.000 0.433 477 M N -0.801 118.665 119.600 -0.223 0.000 2.213 477 M HA -0.195 4.305 4.480 0.033 0.000 0.263 477 M C 2.290 178.577 176.300 -0.021 0.000 1.062 477 M CA 1.590 56.807 55.300 -0.139 0.000 1.105 477 M CB -0.245 32.263 32.600 -0.153 0.000 1.385 477 M HN 0.118 nan 8.290 nan 0.000 0.417 478 K N -0.447 119.907 120.400 -0.077 0.000 2.057 478 K HA -0.130 4.210 4.320 0.033 0.000 0.206 478 K C 1.901 178.579 176.600 0.130 0.000 1.050 478 K CA 1.348 57.618 56.287 -0.028 0.000 0.935 478 K CB -0.148 32.280 32.500 -0.121 0.000 0.715 478 K HN 0.268 nan 8.250 nan 0.000 0.439 479 Y N 0.077 120.515 120.300 0.229 0.000 2.097 479 Y HA -0.241 4.328 4.550 0.032 0.000 0.282 479 Y C 2.321 178.379 175.900 0.263 0.000 1.152 479 Y CA 0.712 58.996 58.100 0.307 0.000 1.136 479 Y CB -0.896 37.895 38.460 0.551 0.000 0.975 479 Y HN 0.215 nan 8.280 nan 0.000 0.498 480 W N 0.671 122.047 121.300 0.127 0.000 2.354 480 W HA -0.242 4.437 4.660 0.032 0.000 0.315 480 W C 2.560 179.082 176.519 0.005 0.000 1.206 480 W CA 2.310 59.667 57.345 0.021 0.000 1.290 480 W CB -0.815 28.575 29.460 -0.116 0.000 1.152 480 W HN 0.211 nan 8.180 nan 0.000 0.489 481 T N -1.630 113.034 114.554 0.184 0.000 2.833 481 T HA -0.184 4.186 4.350 0.033 0.000 0.269 481 T C 1.433 176.160 174.700 0.044 0.000 1.054 481 T CA 1.332 63.468 62.100 0.060 0.000 1.135 481 T CB -0.639 68.246 68.868 0.028 0.000 0.869 481 T HN -0.035 nan 8.240 nan 0.000 0.466 482 N N 0.831 119.580 118.700 0.083 0.000 2.142 482 N HA 0.012 4.772 4.740 0.033 0.000 0.186 482 N C 1.412 176.922 175.510 0.000 0.000 1.023 482 N CA 0.978 54.056 53.050 0.046 0.000 0.852 482 N CB -0.601 37.939 38.487 0.089 0.000 0.998 482 N HN 0.501 nan 8.380 nan 0.000 0.424 483 F N 1.705 121.563 119.950 -0.153 0.000 2.171 483 F HA -0.066 4.481 4.527 0.033 0.000 0.300 483 F C 2.133 177.839 175.800 -0.156 0.000 1.090 483 F CA 1.240 59.095 58.000 -0.242 0.000 1.293 483 F CB -0.303 38.459 39.000 -0.397 0.000 1.013 483 F HN 0.018 nan 8.300 nan 0.000 0.486 484 A N 0.650 123.383 122.820 -0.145 0.000 1.902 484 A HA -0.172 4.168 4.320 0.033 0.000 0.217 484 A C 2.360 179.814 177.584 -0.217 0.000 1.181 484 A CA 1.689 53.605 52.037 -0.201 0.000 0.623 484 A CB -0.720 18.235 19.000 -0.074 0.000 0.818 484 A HN 0.443 nan 8.150 nan 0.000 0.443 485 R N -1.163 119.249 120.500 -0.146 0.000 2.092 485 R HA -0.085 4.275 4.340 0.033 0.000 0.231 485 R C 2.006 178.214 176.300 -0.154 0.000 1.119 485 R CA 1.886 57.915 56.100 -0.118 0.000 0.970 485 R CB -0.171 30.089 30.300 -0.067 0.000 0.864 485 R HN 0.746 nan 8.270 nan 0.000 0.440 486 T N -6.025 108.411 114.554 -0.196 0.000 2.969 486 T HA 0.239 4.609 4.350 0.033 0.000 0.258 486 T C 1.202 175.770 174.700 -0.219 0.000 0.962 486 T CA 0.413 62.413 62.100 -0.166 0.000 0.903 486 T CB 1.338 70.147 68.868 -0.098 0.000 1.177 486 T HN 0.310 nan 8.240 nan 0.000 0.511 487 G N 1.322 109.866 108.800 -0.427 0.000 2.159 487 G HA2 -0.173 3.807 3.960 0.033 0.000 0.256 487 G HA3 -0.173 3.807 3.960 0.033 0.000 0.256 487 G C -0.317 174.514 174.900 -0.115 0.000 0.977 487 G CA 0.223 45.045 45.100 -0.463 0.000 0.652 487 G HN 0.807 nan 8.290 nan 0.000 0.531 488 D N -0.525 119.785 120.400 -0.150 0.000 2.602 488 D HA 0.455 5.115 4.640 0.033 0.000 0.245 488 D C -1.276 174.863 176.300 -0.268 0.000 1.325 488 D CA -1.711 52.144 54.000 -0.243 0.000 0.952 488 D CB 1.921 42.678 40.800 -0.072 0.000 1.317 488 D HN 0.001 nan 8.370 nan 0.000 0.577 489 P HA -0.065 nan 4.420 nan 0.000 0.231 489 P C -0.050 177.262 177.300 0.019 0.000 1.158 489 P CA 0.223 63.153 63.100 -0.283 0.000 0.763 489 P CB 0.310 31.540 31.700 -0.784 0.000 0.805 490 N N 1.562 120.242 118.700 -0.033 0.000 2.520 490 N HA 0.030 4.789 4.740 0.033 0.000 0.273 490 N C 0.021 175.606 175.510 0.125 0.000 1.155 490 N CA 0.075 53.200 53.050 0.125 0.000 0.967 490 N CB 0.530 39.079 38.487 0.103 0.000 1.092 490 N HN -0.030 nan 8.380 nan 0.000 0.457 491 D N 2.564 123.065 120.400 0.169 0.000 2.363 491 D HA 0.038 4.697 4.640 0.033 0.000 0.263 491 D C -1.262 175.086 176.300 0.080 0.000 1.258 491 D CA -1.323 52.745 54.000 0.113 0.000 0.907 491 D CB 0.973 41.840 40.800 0.111 0.000 1.107 491 D HN 0.329 nan 8.370 nan 0.000 0.495 492 P HA -0.025 nan 4.420 nan 0.000 0.237 492 P C 0.257 177.581 177.300 0.040 0.000 1.178 492 P CA 0.338 63.464 63.100 0.042 0.000 0.766 492 P CB 0.527 32.242 31.700 0.026 0.000 0.876 493 R N 0.699 121.225 120.500 0.042 0.000 2.881 493 R HA 0.331 4.690 4.340 0.033 0.000 0.331 493 R C -0.806 175.521 176.300 0.044 0.000 1.207 493 R CA -0.329 55.793 56.100 0.037 0.000 1.265 493 R CB -0.481 29.836 30.300 0.028 0.000 1.351 493 R HN 0.060 nan 8.270 nan 0.000 0.613 494 D N -0.045 120.390 120.400 0.057 0.000 2.381 494 D HA 0.067 4.727 4.640 0.033 0.000 0.245 494 D C -0.356 175.985 176.300 0.068 0.000 1.297 494 D CA -0.019 54.020 54.000 0.064 0.000 0.931 494 D CB 1.077 41.925 40.800 0.080 0.000 1.334 494 D HN 0.038 nan 8.370 nan 0.000 0.535 495 S N 2.617 118.350 115.700 0.055 0.000 2.598 495 S HA 0.221 4.711 4.470 0.033 0.000 0.256 495 S C 0.363 174.996 174.600 0.055 0.000 1.350 495 S CA 0.022 58.254 58.200 0.052 0.000 0.984 495 S CB 0.463 63.688 63.200 0.041 0.000 0.930 495 S HN 0.552 nan 8.310 nan 0.000 0.577 496 K N 0.722 121.153 120.400 0.051 0.000 3.653 496 K HA -0.131 4.209 4.320 0.033 0.000 0.275 496 K C 0.453 177.088 176.600 0.059 0.000 0.962 496 K CA 1.045 57.361 56.287 0.048 0.000 0.773 496 K CB -1.781 30.742 32.500 0.039 0.000 1.463 496 K HN 0.527 nan 8.250 nan 0.000 0.450 497 S N 0.337 116.080 115.700 0.072 0.000 2.297 497 S HA 0.217 4.707 4.470 0.033 0.000 0.200 497 S C -1.383 173.269 174.600 0.087 0.000 1.011 497 S CA 0.395 58.652 58.200 0.096 0.000 0.938 497 S CB -0.629 62.645 63.200 0.123 0.000 0.924 497 S HN 0.667 nan 8.310 nan 0.000 0.504 498 P HA 0.300 nan 4.420 nan 0.000 0.276 498 P C -0.873 176.488 177.300 0.103 0.000 1.252 498 P CA -0.342 62.803 63.100 0.074 0.000 0.802 498 P CB 0.440 32.169 31.700 0.049 0.000 1.035 499 Q N -0.174 119.696 119.800 0.117 0.000 2.373 499 Q HA 0.078 4.438 4.340 0.033 0.000 0.255 499 Q C -0.502 175.636 176.000 0.229 0.000 0.980 499 Q CA 0.136 56.041 55.803 0.170 0.000 0.882 499 Q CB 0.705 29.536 28.738 0.155 0.000 1.249 499 Q HN 0.546 nan 8.270 nan 0.000 0.438 500 W N 5.099 126.437 121.300 0.063 0.000 2.416 500 W HA 0.284 4.965 4.660 0.035 0.000 0.318 500 W C -2.456 174.183 176.519 0.200 0.000 1.150 500 W CA -2.538 54.856 57.345 0.081 0.000 1.392 500 W CB 0.034 29.483 29.460 -0.020 0.000 1.311 500 W HN 0.390 nan 8.180 nan 0.000 0.436 501 P HA 0.209 nan 4.420 nan 0.000 0.278 501 P C -2.479 174.990 177.300 0.281 0.000 1.238 501 P CA -1.243 62.058 63.100 0.335 0.000 0.794 501 P CB 0.367 32.190 31.700 0.206 0.000 0.955 502 P HA 0.024 nan 4.420 nan 0.000 0.268 502 P C -0.884 176.380 177.300 -0.061 0.000 1.205 502 P CA 0.008 62.887 63.100 -0.369 0.000 0.771 502 P CB 0.107 31.566 31.700 -0.403 0.000 0.858 503 Y N 3.251 123.470 120.300 -0.136 0.000 2.436 503 Y HA 0.302 4.871 4.550 0.032 0.000 0.336 503 Y C 0.460 176.340 175.900 -0.034 0.000 1.049 503 Y CA 0.494 58.592 58.100 -0.005 0.000 1.294 503 Y CB 0.173 38.659 38.460 0.043 0.000 1.179 503 Y HN 0.388 nan 8.280 nan 0.000 0.520 504 T N 0.262 114.530 114.554 -0.477 0.000 2.930 504 T HA 0.251 4.620 4.350 0.033 0.000 0.290 504 T C 0.961 175.359 174.700 -0.504 0.000 1.052 504 T CA -0.170 61.724 62.100 -0.344 0.000 1.017 504 T CB 1.393 70.155 68.868 -0.178 0.000 1.137 504 T HN 0.642 nan 8.240 nan 0.000 0.511 505 T N -1.039 113.364 114.554 -0.252 0.000 2.904 505 T HA 0.112 4.482 4.350 0.033 0.000 0.267 505 T C 2.137 176.759 174.700 -0.130 0.000 1.059 505 T CA 0.840 62.836 62.100 -0.173 0.000 1.137 505 T CB -0.737 68.108 68.868 -0.040 0.000 0.879 505 T HN 0.840 nan 8.240 nan 0.000 0.467 506 A N 2.202 124.956 122.820 -0.111 0.000 1.821 506 A HA 0.452 4.792 4.320 0.033 0.000 0.215 506 A C 2.850 180.386 177.584 -0.080 0.000 1.214 506 A CA 1.748 53.743 52.037 -0.070 0.000 0.608 506 A CB -1.541 17.429 19.000 -0.050 0.000 0.862 506 A HN 0.727 nan 8.150 nan 0.000 0.448 507 A N -2.697 120.062 122.820 -0.102 0.000 1.897 507 A HA 0.033 4.373 4.320 0.033 0.000 0.215 507 A C 1.314 178.844 177.584 -0.089 0.000 1.181 507 A CA 1.694 53.685 52.037 -0.077 0.000 0.620 507 A CB -0.404 18.561 19.000 -0.059 0.000 0.821 507 A HN 0.688 nan 8.150 nan 0.000 0.443 508 Q N -1.240 118.421 119.800 -0.233 0.000 2.502 508 Q HA -0.166 4.194 4.340 0.033 0.000 0.273 508 Q C -0.861 175.216 176.000 0.128 0.000 1.127 508 Q CA 0.672 56.337 55.803 -0.231 0.000 0.952 508 Q CB -1.512 27.233 28.738 0.011 0.000 1.333 508 Q HN 0.877 nan 8.270 nan 0.000 0.494 509 Q N 0.658 120.515 119.800 0.094 0.000 2.288 509 Q HA 0.388 4.747 4.340 0.033 0.000 0.258 509 Q C -0.244 176.014 176.000 0.430 0.000 0.957 509 Q CA 0.138 56.048 55.803 0.178 0.000 0.919 509 Q CB 0.473 29.266 28.738 0.093 0.000 1.185 509 Q HN 0.329 nan 8.270 nan 0.000 0.408 510 Y N -0.932 119.530 120.300 0.270 0.000 2.686 510 Y HA 0.769 5.338 4.550 0.031 0.000 0.330 510 Y C -0.451 175.488 175.900 0.065 0.000 1.082 510 Y CA -1.531 56.717 58.100 0.246 0.000 1.158 510 Y CB 0.572 39.150 38.460 0.195 0.000 1.333 510 Y HN 0.346 nan 8.280 nan 0.000 0.519 511 V N -0.767 119.182 119.914 0.059 0.000 2.919 511 V HA 0.765 4.904 4.120 0.033 0.000 0.316 511 V C -0.230 175.873 176.094 0.014 0.000 1.077 511 V CA -0.641 61.518 62.300 -0.235 0.000 0.977 511 V CB 1.275 32.629 31.823 -0.781 0.000 1.039 511 V HN 1.116 nan 8.190 nan 0.000 0.441 512 S N 3.462 119.144 115.700 -0.030 0.000 2.430 512 S HA 0.616 5.106 4.470 0.033 0.000 0.289 512 S C -0.472 174.120 174.600 -0.012 0.000 1.143 512 S CA -0.597 57.638 58.200 0.059 0.000 1.067 512 S CB 0.250 63.475 63.200 0.042 0.000 0.964 512 S HN 0.750 nan 8.310 nan 0.000 0.485 513 L N 4.983 126.238 121.223 0.054 0.000 2.268 513 L HA 0.456 4.816 4.340 0.033 0.000 0.289 513 L C 0.054 176.887 176.870 -0.061 0.000 1.064 513 L CA -0.313 54.587 54.840 0.099 0.000 0.824 513 L CB -0.340 41.854 42.059 0.226 0.000 1.202 513 L HN 0.950 nan 8.230 nan 0.000 0.433 514 N N 2.225 120.834 118.700 -0.152 0.000 3.517 514 N HA 0.252 5.012 4.740 0.033 0.000 0.329 514 N C 0.094 175.156 175.510 -0.746 0.000 1.569 514 N CA -0.895 51.781 53.050 -0.623 0.000 0.852 514 N CB 0.537 38.794 38.487 -0.385 0.000 1.955 514 N HN 0.146 nan 8.380 nan 0.000 0.555 515 L N -0.542 120.242 121.223 -0.732 0.000 2.109 515 L HA 0.136 4.496 4.340 0.033 0.000 0.207 515 L C 0.418 177.135 176.870 -0.255 0.000 1.086 515 L CA 0.875 55.371 54.840 -0.573 0.000 0.760 515 L CB -0.380 41.403 42.059 -0.460 0.000 0.910 515 L HN 0.388 nan 8.230 nan 0.000 0.437 516 K N 1.469 121.759 120.400 -0.183 0.000 2.401 516 K HA 0.129 4.469 4.320 0.033 0.000 0.278 516 K C -2.125 174.439 176.600 -0.060 0.000 1.018 516 K CA -1.734 54.496 56.287 -0.095 0.000 0.981 516 K CB -0.111 32.344 32.500 -0.074 0.000 0.933 516 K HN -0.097 nan 8.250 nan 0.000 0.477 517 P HA -0.132 nan 4.420 nan 0.000 0.269 517 P C 0.040 177.346 177.300 0.010 0.000 1.205 517 P CA 0.198 63.311 63.100 0.022 0.000 0.780 517 P CB 0.418 32.133 31.700 0.025 0.000 0.858 518 L N 0.876 122.117 121.223 0.030 0.000 2.593 518 L HA -0.091 4.269 4.340 0.033 0.000 0.287 518 L C 1.290 178.130 176.870 -0.050 0.000 1.243 518 L CA 0.943 55.762 54.840 -0.035 0.000 0.890 518 L CB -0.318 41.701 42.059 -0.067 0.000 1.134 518 L HN 0.521 nan 8.230 nan 0.000 0.502 519 E N 2.876 123.028 120.200 -0.080 0.000 2.187 519 E HA 0.383 4.753 4.350 0.033 0.000 0.268 519 E C -1.375 175.150 176.600 -0.125 0.000 0.896 519 E CA -0.800 55.554 56.400 -0.077 0.000 0.766 519 E CB 1.909 31.574 29.700 -0.059 0.000 1.142 519 E HN 0.298 nan 8.360 nan 0.000 0.408 520 V N 5.368 125.214 119.914 -0.114 0.000 2.432 520 V HA 0.356 4.495 4.120 0.033 0.000 0.271 520 V C 0.316 176.281 176.094 -0.214 0.000 1.046 520 V CA -0.183 62.024 62.300 -0.155 0.000 0.945 520 V CB 0.798 32.577 31.823 -0.073 0.000 0.992 520 V HN 0.675 nan 8.190 nan 0.000 0.471 521 R N 4.115 124.355 120.500 -0.433 0.000 2.873 521 R HA 0.746 5.106 4.340 0.033 0.000 0.264 521 R C -0.693 175.293 176.300 -0.523 0.000 1.026 521 R CA -1.017 54.785 56.100 -0.496 0.000 1.002 521 R CB 2.225 32.132 30.300 -0.656 0.000 1.174 521 R HN 0.573 nan 8.270 nan 0.000 0.488 522 R N -0.056 120.317 120.500 -0.211 0.000 2.534 522 R HA 0.453 4.812 4.340 0.033 0.000 0.301 522 R C -0.747 175.672 176.300 0.198 0.000 0.961 522 R CA -0.412 55.684 56.100 -0.005 0.000 0.871 522 R CB 2.177 32.484 30.300 0.012 0.000 1.170 522 R HN 0.901 nan 8.270 nan 0.000 0.446 523 G N 2.434 111.447 108.800 0.355 0.000 3.450 523 G HA2 -0.235 3.744 3.960 0.033 0.000 0.668 523 G HA3 -0.235 3.744 3.960 0.033 0.000 0.668 523 G C -0.918 174.271 174.900 0.482 0.000 0.941 523 G CA -0.856 44.468 45.100 0.373 0.000 0.766 523 G HN 0.484 nan 8.290 nan 0.000 0.451 524 L N 4.002 125.432 121.223 0.345 0.000 2.356 524 L HA 0.533 4.892 4.340 0.033 0.000 0.282 524 L C 1.459 178.388 176.870 0.098 0.000 1.132 524 L CA -0.429 54.432 54.840 0.036 0.000 0.923 524 L CB -0.053 41.920 42.059 -0.144 0.000 1.278 524 L HN 0.704 nan 8.230 nan 0.000 0.436 525 R N 2.529 123.116 120.500 0.146 0.000 3.267 525 R HA -0.253 4.106 4.340 0.033 0.000 0.254 525 R C 1.160 177.577 176.300 0.195 0.000 0.993 525 R CA 0.663 56.869 56.100 0.177 0.000 0.670 525 R CB -2.033 28.375 30.300 0.181 0.000 1.125 525 R HN 0.790 nan 8.270 nan 0.000 0.434 526 A N 0.642 123.575 122.820 0.189 0.000 1.865 526 A HA -0.234 4.105 4.320 0.033 0.000 0.217 526 A C 2.042 179.729 177.584 0.171 0.000 1.191 526 A CA 1.244 53.388 52.037 0.178 0.000 0.623 526 A CB -0.105 18.992 19.000 0.163 0.000 0.826 526 A HN 0.429 nan 8.150 nan 0.000 0.444 527 Q N -0.704 119.193 119.800 0.162 0.000 2.046 527 Q HA -0.099 4.260 4.340 0.033 0.000 0.200 527 Q C 2.274 178.396 176.000 0.202 0.000 0.975 527 Q CA 2.035 57.932 55.803 0.156 0.000 0.836 527 Q CB -1.216 27.597 28.738 0.125 0.000 0.896 527 Q HN 0.645 nan 8.270 nan 0.000 0.428 528 T N 0.788 115.484 114.554 0.238 0.000 2.746 528 T HA -0.130 4.239 4.350 0.033 0.000 0.267 528 T C 2.044 176.961 174.700 0.361 0.000 1.039 528 T CA 1.250 63.513 62.100 0.271 0.000 1.142 528 T CB -0.293 68.782 68.868 0.345 0.000 0.866 528 T HN 0.314 nan 8.240 nan 0.000 0.444 529 c N 1.473 120.289 118.600 0.359 0.000 2.446 529 c HA 0.247 4.837 4.570 0.033 0.000 0.279 529 c C 3.125 177.387 174.090 0.287 0.000 1.366 529 c CA -0.023 56.532 56.329 0.377 0.000 1.763 529 c CB -1.406 41.266 42.510 0.270 0.000 1.929 529 c HN 0.644 nan 8.230 nan 0.000 0.509 530 A N 0.324 123.279 122.820 0.226 0.000 1.902 530 A HA -0.206 4.134 4.320 0.033 0.000 0.217 530 A C 1.880 179.572 177.584 0.180 0.000 1.181 530 A CA 1.685 53.830 52.037 0.180 0.000 0.623 530 A CB -0.825 18.267 19.000 0.152 0.000 0.818 530 A HN 0.544 nan 8.150 nan 0.000 0.443 531 F N -0.846 119.100 119.950 -0.007 0.000 2.095 531 F HA -0.191 4.357 4.527 0.035 0.000 0.298 531 F C 1.946 177.704 175.800 -0.070 0.000 1.104 531 F CA 1.710 59.626 58.000 -0.140 0.000 1.232 531 F CB -0.572 38.106 39.000 -0.537 0.000 0.987 531 F HN 0.391 nan 8.300 nan 0.000 0.475 532 W N 0.442 121.676 121.300 -0.109 0.000 2.409 532 W HA -0.118 4.561 4.660 0.031 0.000 0.299 532 W C 2.141 178.609 176.519 -0.085 0.000 1.203 532 W CA 0.949 58.203 57.345 -0.151 0.000 1.298 532 W CB -0.417 29.093 29.460 0.083 0.000 1.127 532 W HN -0.051 nan 8.180 nan 0.000 0.528 533 N N -0.526 118.306 118.700 0.221 0.000 2.405 533 N HA 0.043 4.802 4.740 0.033 0.000 0.175 533 N C 1.412 176.974 175.510 0.087 0.000 1.051 533 N CA 0.840 53.978 53.050 0.147 0.000 0.899 533 N CB -0.090 38.485 38.487 0.146 0.000 1.000 533 N HN 0.210 nan 8.380 nan 0.000 0.451 534 R N -1.488 119.062 120.500 0.084 0.000 2.194 534 R HA 0.248 4.607 4.340 0.033 0.000 0.194 534 R C 1.316 177.669 176.300 0.088 0.000 0.985 534 R CA -0.037 56.114 56.100 0.085 0.000 1.104 534 R CB -0.103 30.265 30.300 0.113 0.000 1.092 534 R HN 0.009 nan 8.270 nan 0.000 0.555 535 F N 1.576 121.454 119.950 -0.119 0.000 2.104 535 F HA 0.083 4.631 4.527 0.034 0.000 0.288 535 F C 1.836 177.513 175.800 -0.205 0.000 1.107 535 F CA 1.123 59.037 58.000 -0.144 0.000 1.208 535 F CB -0.354 38.577 39.000 -0.116 0.000 1.033 535 F HN -0.166 nan 8.300 nan 0.000 0.478 536 L N 0.509 121.469 121.223 -0.438 0.000 1.997 536 L HA -0.237 4.123 4.340 0.033 0.000 0.216 536 L C -0.281 176.409 176.870 -0.300 0.000 1.074 536 L CA 2.063 56.629 54.840 -0.456 0.000 0.763 536 L CB -2.324 39.499 42.059 -0.394 0.000 0.890 536 L HN 0.131 nan 8.230 nan 0.000 0.434 537 P HA -0.244 nan 4.420 nan 0.000 0.218 537 P C 1.420 178.625 177.300 -0.158 0.000 1.165 537 P CA 1.600 64.632 63.100 -0.114 0.000 0.922 537 P CB -0.133 31.533 31.700 -0.057 0.000 0.794 538 K N -1.065 119.213 120.400 -0.203 0.000 2.044 538 K HA -0.161 4.178 4.320 0.033 0.000 0.210 538 K C 1.954 178.397 176.600 -0.262 0.000 1.049 538 K CA 1.102 57.266 56.287 -0.204 0.000 0.927 538 K CB -1.419 30.960 32.500 -0.203 0.000 0.713 538 K HN 0.133 nan 8.250 nan 0.000 0.443 539 L N 0.956 121.917 121.223 -0.436 0.000 2.450 539 L HA -0.031 4.328 4.340 0.033 0.000 0.224 539 L C 0.803 177.551 176.870 -0.203 0.000 1.149 539 L CA 1.293 55.904 54.840 -0.382 0.000 0.816 539 L CB -0.296 41.440 42.059 -0.539 0.000 0.932 539 L HN 0.049 nan 8.230 nan 0.000 0.449 540 L N 0.000 121.124 121.223 -0.166 0.000 2.949 540 L HA 0.000 4.360 4.340 0.033 0.000 0.249 540 L CA 0.000 54.779 54.840 -0.101 0.000 0.813 540 L CB 0.000 42.008 42.059 -0.085 0.000 0.961 540 L HN 0.000 nan 8.230 nan 0.000 0.502