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 2jgi_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 RFLPKLLSA 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 0.000 176.619 176.600 0.031 0.000 1.382 4 E CA 0.000 56.412 56.400 0.021 0.000 0.976 4 E CB 0.000 29.712 29.700 0.020 0.000 0.812 5 D N 4.673 125.097 120.400 0.041 0.000 2.358 5 D HA 0.128 4.786 4.640 0.030 0.000 0.258 5 D C -1.442 174.896 176.300 0.065 0.000 1.223 5 D CA -1.887 52.153 54.000 0.067 0.000 0.886 5 D CB 1.458 42.318 40.800 0.100 0.000 1.120 5 D HN 0.246 nan 8.370 nan 0.000 0.482 6 P HA -0.037 nan 4.420 nan 0.000 0.240 6 P C 0.977 178.299 177.300 0.037 0.000 1.190 6 P CA 0.338 63.460 63.100 0.036 0.000 0.781 6 P CB 0.625 32.334 31.700 0.015 0.000 0.931 7 Q N -0.050 119.769 119.800 0.031 0.000 2.224 7 Q HA 0.049 4.407 4.340 0.030 0.000 0.203 7 Q C 1.827 177.919 176.000 0.154 0.000 0.970 7 Q CA 0.926 56.738 55.803 0.014 0.000 0.865 7 Q CB -0.326 28.301 28.738 -0.185 0.000 0.922 7 Q HN 0.409 nan 8.270 nan 0.000 0.445 8 L N 0.321 121.634 121.223 0.149 0.000 2.653 8 L HA 0.175 4.533 4.340 0.030 0.000 0.232 8 L C 0.058 177.044 176.870 0.194 0.000 1.169 8 L CA -0.194 54.710 54.840 0.107 0.000 0.951 8 L CB 0.143 42.203 42.059 0.000 0.000 1.181 8 L HN 0.002 nan 8.230 nan 0.000 0.460 9 L N 0.352 121.698 121.223 0.205 0.000 2.343 9 L HA 0.542 4.900 4.340 0.030 0.000 0.278 9 L C -0.619 176.314 176.870 0.103 0.000 0.996 9 L CA -0.213 54.730 54.840 0.172 0.000 0.831 9 L CB 1.990 44.104 42.059 0.091 0.000 1.232 9 L HN -0.281 nan 8.230 nan 0.000 0.413 10 V N 4.106 124.062 119.914 0.069 0.000 2.823 10 V HA 0.554 4.692 4.120 0.030 0.000 0.312 10 V C -0.417 175.618 176.094 -0.098 0.000 1.072 10 V CA -0.871 61.309 62.300 -0.200 0.000 0.937 10 V CB 2.291 33.650 31.823 -0.773 0.000 1.013 10 V HN 0.639 nan 8.190 nan 0.000 0.430 11 R N 2.514 122.927 120.500 -0.145 0.000 2.278 11 R HA 0.614 4.972 4.340 0.030 0.000 0.322 11 R C -0.593 175.646 176.300 -0.101 0.000 1.058 11 R CA -0.316 55.737 56.100 -0.078 0.000 0.991 11 R CB 1.034 31.288 30.300 -0.077 0.000 1.140 11 R HN 0.724 nan 8.270 nan 0.000 0.518 12 V N 1.366 121.274 119.914 -0.009 0.000 3.134 12 V HA 0.373 4.511 4.120 0.030 0.000 0.313 12 V C 1.381 177.422 176.094 -0.088 0.000 1.069 12 V CA -0.640 61.661 62.300 0.002 0.000 1.048 12 V CB 1.558 33.539 31.823 0.264 0.000 1.119 12 V HN 0.768 nan 8.190 nan 0.000 0.461 13 R N 1.745 122.178 120.500 -0.112 0.000 2.117 13 R HA -0.088 4.270 4.340 0.030 0.000 0.243 13 R C 2.045 178.196 176.300 -0.249 0.000 1.143 13 R CA 1.745 57.758 56.100 -0.144 0.000 0.968 13 R CB -0.788 29.449 30.300 -0.104 0.000 0.863 13 R HN 0.999 nan 8.270 nan 0.000 0.444 14 G N -0.364 108.215 108.800 -0.368 0.000 2.848 14 G HA2 0.267 4.245 3.960 0.030 0.000 0.208 14 G HA3 0.267 4.245 3.960 0.030 0.000 0.208 14 G C 0.453 174.336 174.900 -1.695 0.000 1.152 14 G CA 0.532 45.077 45.100 -0.926 0.000 0.789 14 G HN 0.614 nan 8.290 nan 0.000 0.531 15 G N -0.959 107.280 108.800 -0.936 0.000 2.306 15 G HA2 -0.052 3.926 3.960 0.030 0.000 0.262 15 G HA3 -0.052 3.926 3.960 0.030 0.000 0.262 15 G C -0.755 174.101 174.900 -0.074 0.000 1.263 15 G CA -0.868 43.849 45.100 -0.639 0.000 1.088 15 G HN 0.360 nan 8.290 nan 0.000 0.489 16 Q N -0.432 119.473 119.800 0.175 0.000 2.230 16 Q HA 0.715 5.073 4.340 0.030 0.000 0.248 16 Q C -0.431 175.852 176.000 0.472 0.000 0.915 16 Q CA -0.275 55.692 55.803 0.273 0.000 0.900 16 Q CB 1.836 30.673 28.738 0.166 0.000 1.229 16 Q HN 0.483 nan 8.270 nan 0.000 0.439 17 L N 1.394 122.823 121.223 0.343 0.000 2.401 17 L HA 0.592 4.950 4.340 0.030 0.000 0.266 17 L C -0.548 176.506 176.870 0.307 0.000 0.991 17 L CA -0.767 54.288 54.840 0.358 0.000 0.818 17 L CB 2.338 44.666 42.059 0.449 0.000 1.321 17 L HN 0.480 nan 8.230 nan 0.000 0.413 18 R N 1.202 121.839 120.500 0.229 0.000 2.337 18 R HA 0.626 4.984 4.340 0.030 0.000 0.319 18 R C -0.164 176.156 176.300 0.033 0.000 0.954 18 R CA -0.327 55.858 56.100 0.141 0.000 0.840 18 R CB 1.528 31.867 30.300 0.065 0.000 1.164 18 R HN 0.792 nan 8.270 nan 0.000 0.472 19 G N 3.441 112.140 108.800 -0.169 0.000 2.557 19 G HA2 0.337 4.315 3.960 0.030 0.000 0.292 19 G HA3 0.337 4.315 3.960 0.030 0.000 0.292 19 G C -0.759 173.897 174.900 -0.408 0.000 1.237 19 G CA -0.785 43.930 45.100 -0.642 0.000 0.978 19 G HN 0.628 nan 8.290 nan 0.000 0.498 20 I N -0.863 119.456 120.570 -0.418 0.000 2.562 20 I HA 0.518 4.706 4.170 0.030 0.000 0.301 20 I C 0.128 176.089 176.117 -0.259 0.000 1.003 20 I CA -1.218 59.918 61.300 -0.274 0.000 1.127 20 I CB 1.787 39.643 38.000 -0.240 0.000 1.304 20 I HN 0.406 nan 8.210 nan 0.000 0.446 21 R N 7.394 127.773 120.500 -0.202 0.000 2.216 21 R HA 0.484 4.842 4.340 0.030 0.000 0.332 21 R C -1.537 174.644 176.300 -0.199 0.000 1.056 21 R CA -0.425 55.537 56.100 -0.230 0.000 0.901 21 R CB 0.478 30.573 30.300 -0.342 0.000 1.039 21 R HN 0.619 nan 8.270 nan 0.000 0.456 22 L N 4.590 125.722 121.223 -0.151 0.000 2.334 22 L HA 0.436 4.794 4.340 0.030 0.000 0.275 22 L C -0.199 176.601 176.870 -0.117 0.000 1.036 22 L CA -0.971 53.803 54.840 -0.111 0.000 0.807 22 L CB 1.715 43.748 42.059 -0.043 0.000 1.231 22 L HN 0.582 nan 8.230 nan 0.000 0.438 23 K N 1.401 121.735 120.400 -0.110 0.000 2.130 23 K HA 0.822 5.159 4.320 0.030 0.000 0.268 23 K C -0.857 175.682 176.600 -0.102 0.000 0.983 23 K CA -0.543 55.684 56.287 -0.099 0.000 0.893 23 K CB 1.794 34.244 32.500 -0.082 0.000 1.066 23 K HN 0.531 nan 8.250 nan 0.000 0.450 24 A N 3.265 126.032 122.820 -0.087 0.000 2.374 24 A HA 0.539 4.877 4.320 0.030 0.000 0.317 24 A C -1.892 175.694 177.584 0.004 0.000 1.094 24 A CA -2.132 49.848 52.037 -0.095 0.000 0.765 24 A CB 0.815 19.730 19.000 -0.142 0.000 1.268 24 A HN 0.619 nan 8.150 nan 0.000 0.438 25 P HA -0.269 nan 4.420 nan 0.000 0.230 25 P C 1.192 178.524 177.300 0.053 0.000 1.124 25 P CA 2.761 65.912 63.100 0.085 0.000 0.985 25 P CB 0.131 31.918 31.700 0.145 0.000 0.774 26 G N -2.132 106.702 108.800 0.058 0.000 3.523 26 G HA2 0.489 4.467 3.960 0.030 0.000 0.270 26 G HA3 0.489 4.467 3.960 0.030 0.000 0.270 26 G C 0.362 175.284 174.900 0.037 0.000 1.134 26 G CA 0.416 45.542 45.100 0.044 0.000 0.825 26 G HN 0.702 nan 8.290 nan 0.000 0.534 27 G N -0.182 108.633 108.800 0.025 0.000 2.369 27 G HA2 0.375 4.353 3.960 0.030 0.000 0.293 27 G HA3 0.375 4.353 3.960 0.030 0.000 0.293 27 G C -3.547 171.351 174.900 -0.002 0.000 1.301 27 G CA -0.749 44.365 45.100 0.023 0.000 0.913 27 G HN 0.083 nan 8.290 nan 0.000 0.540 28 P HA 0.610 nan 4.420 nan 0.000 0.290 28 P C -0.200 177.117 177.300 0.029 0.000 1.275 28 P CA -0.659 62.390 63.100 -0.085 0.000 0.841 28 P CB 1.881 33.412 31.700 -0.282 0.000 1.042 29 V N -0.899 119.025 119.914 0.017 0.000 2.864 29 V HA 0.670 4.808 4.120 0.030 0.000 0.314 29 V C -0.335 175.855 176.094 0.161 0.000 1.073 29 V CA -0.854 61.541 62.300 0.158 0.000 0.956 29 V CB 1.750 33.678 31.823 0.174 0.000 1.023 29 V HN 0.434 nan 8.190 nan 0.000 0.435 30 S N 2.745 118.620 115.700 0.291 0.000 2.465 30 S HA 0.783 5.270 4.470 0.030 0.000 0.279 30 S C 0.201 174.852 174.600 0.086 0.000 1.201 30 S CA 0.040 58.360 58.200 0.200 0.000 1.053 30 S CB 0.927 64.363 63.200 0.393 0.000 0.953 30 S HN 1.505 nan 8.310 nan 0.000 0.488 31 A N 2.614 125.301 122.820 -0.222 0.000 2.320 31 A HA 0.853 5.191 4.320 0.030 0.000 0.334 31 A C -0.879 176.352 177.584 -0.589 0.000 1.147 31 A CA -0.650 51.156 52.037 -0.384 0.000 0.820 31 A CB 0.384 19.101 19.000 -0.472 0.000 1.218 31 A HN 0.723 nan 8.150 nan 0.000 0.482 32 F N 1.760 121.554 119.950 -0.259 0.000 2.769 32 F HA 0.322 4.867 4.527 0.030 0.000 0.358 32 F C -0.424 175.239 175.800 -0.228 0.000 1.285 32 F CA -0.148 57.793 58.000 -0.098 0.000 1.199 32 F CB 0.859 39.978 39.000 0.199 0.000 1.558 32 F HN 0.338 nan 8.300 nan 0.000 0.583 33 L N 1.355 122.438 121.223 -0.234 0.000 2.350 33 L HA 0.648 5.006 4.340 0.030 0.000 0.275 33 L C 1.147 177.943 176.870 -0.123 0.000 1.099 33 L CA -0.571 54.092 54.840 -0.294 0.000 0.808 33 L CB 0.952 42.630 42.059 -0.635 0.000 1.149 33 L HN 0.738 nan 8.230 nan 0.000 0.442 34 G N 3.292 112.086 108.800 -0.010 0.000 2.256 34 G HA2 -0.251 3.727 3.960 0.030 0.000 0.272 34 G HA3 -0.251 3.727 3.960 0.030 0.000 0.272 34 G C -0.126 174.780 174.900 0.010 0.000 1.076 34 G CA -0.418 44.657 45.100 -0.041 0.000 0.882 34 G HN 0.507 nan 8.290 nan 0.000 0.497 35 I N 1.815 122.434 120.570 0.082 0.000 2.452 35 I HA 0.209 4.396 4.170 0.030 0.000 0.287 35 I C -1.439 174.763 176.117 0.142 0.000 1.079 35 I CA -2.088 59.249 61.300 0.062 0.000 1.387 35 I CB 0.904 38.877 38.000 -0.046 0.000 1.404 35 I HN -0.010 nan 8.210 nan 0.000 0.522 36 P HA -0.010 nan 4.420 nan 0.000 0.271 36 P C -0.089 177.151 177.300 -0.100 0.000 1.226 36 P CA 0.111 63.148 63.100 -0.104 0.000 0.765 36 P CB 0.342 31.977 31.700 -0.108 0.000 0.835 37 F N 1.812 121.585 119.950 -0.294 0.000 2.720 37 F HA 0.675 5.220 4.527 0.030 0.000 0.301 37 F C 0.222 175.995 175.800 -0.046 0.000 1.103 37 F CA -0.557 57.310 58.000 -0.222 0.000 1.291 37 F CB 0.226 38.995 39.000 -0.384 0.000 1.086 37 F HN 0.309 nan 8.300 nan 0.000 0.592 38 A N 0.274 122.769 122.820 -0.541 0.000 2.587 38 A HA 0.531 4.868 4.320 0.030 0.000 0.293 38 A C -0.850 176.540 177.584 -0.323 0.000 1.087 38 A CA -0.837 50.984 52.037 -0.359 0.000 0.692 38 A CB 0.911 19.637 19.000 -0.456 0.000 1.291 38 A HN 0.087 nan 8.150 nan 0.000 0.407 39 E N 1.340 121.442 120.200 -0.164 0.000 2.415 39 E HA 0.175 4.543 4.350 0.030 0.000 0.263 39 E C -2.277 174.211 176.600 -0.187 0.000 0.995 39 E CA -1.133 55.190 56.400 -0.129 0.000 0.915 39 E CB -0.121 29.544 29.700 -0.058 0.000 0.951 39 E HN 0.230 nan 8.360 nan 0.000 0.449 40 P HA -0.032 nan 4.420 nan 0.000 0.258 40 P C -2.180 175.033 177.300 -0.144 0.000 1.172 40 P CA -0.565 62.425 63.100 -0.182 0.000 0.762 40 P CB -0.057 31.573 31.700 -0.116 0.000 0.764 41 P HA 0.016 nan 4.420 nan 0.000 0.225 41 P C -0.436 176.784 177.300 -0.132 0.000 1.768 41 P CA 0.146 63.168 63.100 -0.129 0.000 0.943 41 P CB -0.101 31.521 31.700 -0.129 0.000 1.936 42 V N -2.868 116.976 119.914 -0.116 0.000 2.919 42 V HA 0.911 5.049 4.120 0.030 0.000 0.316 42 V C 0.855 176.892 176.094 -0.095 0.000 1.077 42 V CA 0.096 62.325 62.300 -0.118 0.000 0.977 42 V CB 1.067 32.825 31.823 -0.107 0.000 1.039 42 V HN 0.535 nan 8.190 nan 0.000 0.441 43 G N 3.014 111.755 108.800 -0.097 0.000 2.595 43 G HA2 -0.322 3.656 3.960 0.030 0.000 0.297 43 G HA3 -0.322 3.656 3.960 0.030 0.000 0.297 43 G C 1.188 176.050 174.900 -0.064 0.000 1.181 43 G CA 1.364 46.422 45.100 -0.069 0.000 0.963 43 G HN 2.372 nan 8.290 nan 0.000 0.541 44 S N 0.430 116.107 115.700 -0.039 0.000 2.603 44 S HA 0.208 4.696 4.470 0.030 0.000 0.220 44 S C 1.878 176.465 174.600 -0.021 0.000 0.967 44 S CA 1.368 59.558 58.200 -0.018 0.000 0.920 44 S CB 0.207 63.405 63.200 -0.004 0.000 0.773 44 S HN 0.528 nan 8.310 nan 0.000 0.529 45 R N 1.359 121.830 120.500 -0.049 0.000 2.290 45 R HA 0.278 4.636 4.340 0.030 0.000 0.197 45 R C 0.725 176.972 176.300 -0.088 0.000 0.913 45 R CA -0.152 55.919 56.100 -0.049 0.000 1.040 45 R CB -0.488 29.782 30.300 -0.051 0.000 0.992 45 R HN 0.504 nan 8.270 nan 0.000 0.500 46 R N 0.769 121.165 120.500 -0.174 0.000 2.504 46 R HA -0.156 4.202 4.340 0.030 0.000 0.291 46 R C -0.288 175.787 176.300 -0.375 0.000 0.974 46 R CA 0.690 56.551 56.100 -0.398 0.000 1.077 46 R CB -0.006 29.922 30.300 -0.620 0.000 0.926 46 R HN 0.099 nan 8.270 nan 0.000 0.407 47 F N -0.723 119.228 119.950 0.001 0.000 2.517 47 F HA -0.292 4.253 4.527 0.030 0.000 0.434 47 F C 0.120 175.902 175.800 -0.029 0.000 0.564 47 F CA 0.557 58.537 58.000 -0.034 0.000 1.414 47 F CB -1.594 37.377 39.000 -0.048 0.000 2.009 47 F HN 0.469 nan 8.300 nan 0.000 0.274 48 M N 1.204 120.863 119.600 0.098 0.000 2.444 48 M HA 0.405 4.903 4.480 0.030 0.000 0.319 48 M C -2.000 174.324 176.300 0.040 0.000 1.183 48 M CA -1.435 53.905 55.300 0.068 0.000 1.032 48 M CB 0.775 33.405 32.600 0.050 0.000 1.569 48 M HN -0.384 nan 8.290 nan 0.000 0.468 49 P HA -0.002 nan 4.420 nan 0.000 0.264 49 P C -2.399 174.924 177.300 0.038 0.000 1.179 49 P CA -0.324 62.806 63.100 0.051 0.000 0.763 49 P CB -0.449 31.290 31.700 0.065 0.000 0.806 50 P HA 0.141 nan 4.420 nan 0.000 0.271 50 P C -0.543 176.782 177.300 0.042 0.000 1.218 50 P CA 0.232 63.346 63.100 0.024 0.000 0.780 50 P CB 0.958 32.693 31.700 0.058 0.000 0.901 51 E N 2.688 122.897 120.200 0.015 0.000 2.195 51 E HA 0.381 4.749 4.350 0.030 0.000 0.271 51 E C -2.307 174.322 176.600 0.050 0.000 0.923 51 E CA -2.493 53.930 56.400 0.037 0.000 0.790 51 E CB 0.944 30.658 29.700 0.023 0.000 1.155 51 E HN 0.328 nan 8.360 nan 0.000 0.402 52 P HA -0.084 nan 4.420 nan 0.000 0.264 52 P C -0.755 176.610 177.300 0.108 0.000 1.183 52 P CA 0.049 63.228 63.100 0.130 0.000 0.763 52 P CB 0.372 32.153 31.700 0.135 0.000 0.807 53 K N 3.972 124.456 120.400 0.140 0.000 2.448 53 K HA 0.033 4.371 4.320 0.030 0.000 0.278 53 K C 0.067 176.784 176.600 0.194 0.000 1.009 53 K CA 0.286 56.663 56.287 0.149 0.000 0.995 53 K CB 0.266 32.893 32.500 0.211 0.000 0.917 53 K HN 0.273 nan 8.250 nan 0.000 0.481 54 R N 4.724 125.323 120.500 0.166 0.000 2.594 54 R HA 0.179 4.537 4.340 0.030 0.000 0.272 54 R C -2.004 174.432 176.300 0.227 0.000 1.074 54 R CA -1.640 54.550 56.100 0.150 0.000 1.105 54 R CB 0.074 30.440 30.300 0.110 0.000 1.008 54 R HN 0.589 nan 8.270 nan 0.000 0.472 55 P HA -0.074 nan 4.420 nan 0.000 0.269 55 P C -1.285 176.083 177.300 0.113 0.000 1.217 55 P CA 0.084 63.141 63.100 -0.072 0.000 0.783 55 P CB 0.324 31.941 31.700 -0.140 0.000 0.898 56 W N 0.023 121.362 121.300 0.066 0.000 2.915 56 W HA 0.631 5.308 4.660 0.030 0.000 0.337 56 W C -0.696 175.853 176.519 0.050 0.000 1.102 56 W CA -1.021 56.359 57.345 0.058 0.000 1.224 56 W CB 0.031 29.534 29.460 0.071 0.000 1.416 56 W HN 0.355 nan 8.180 nan 0.000 0.503 57 S N 2.396 118.243 115.700 0.245 0.000 2.593 57 S HA 0.721 5.209 4.470 0.030 0.000 0.269 57 S C 0.744 175.484 174.600 0.232 0.000 1.334 57 S CA 0.308 58.600 58.200 0.152 0.000 1.015 57 S CB 0.674 63.941 63.200 0.111 0.000 0.912 57 S HN 2.188 nan 8.310 nan 0.000 0.541 58 G N 0.167 109.059 108.800 0.153 0.000 2.598 58 G HA2 -0.174 3.804 3.960 0.030 0.000 0.244 58 G HA3 -0.174 3.804 3.960 0.030 0.000 0.244 58 G C -0.611 174.422 174.900 0.222 0.000 1.302 58 G CA -0.287 44.905 45.100 0.154 0.000 0.903 58 G HN 1.688 nan 8.290 nan 0.000 0.575 59 V N 0.909 120.933 119.914 0.183 0.000 2.313 59 V HA 0.507 4.645 4.120 0.030 0.000 0.278 59 V C 0.534 176.725 176.094 0.162 0.000 1.017 59 V CA -0.253 62.165 62.300 0.195 0.000 0.823 59 V CB 1.044 32.941 31.823 0.123 0.000 1.010 59 V HN 0.884 nan 8.190 nan 0.000 0.443 60 L N 4.957 126.296 121.223 0.194 0.000 2.410 60 L HA 0.292 4.650 4.340 0.030 0.000 0.273 60 L C 0.544 177.402 176.870 -0.020 0.000 1.144 60 L CA 0.544 55.356 54.840 -0.048 0.000 0.863 60 L CB 0.594 42.348 42.059 -0.509 0.000 1.140 60 L HN 0.714 nan 8.230 nan 0.000 0.463 61 D N 5.012 125.379 120.400 -0.054 0.000 2.371 61 D HA 0.203 4.861 4.640 0.030 0.000 0.256 61 D C -0.649 175.606 176.300 -0.075 0.000 1.193 61 D CA 0.235 54.205 54.000 -0.050 0.000 0.881 61 D CB 1.228 41.989 40.800 -0.065 0.000 1.143 61 D HN 0.734 nan 8.370 nan 0.000 0.473 62 A N 3.171 125.965 122.820 -0.043 0.000 3.253 62 A HA 0.254 4.592 4.320 0.030 0.000 0.290 62 A C 0.672 178.179 177.584 -0.128 0.000 0.950 62 A CA -0.417 51.590 52.037 -0.050 0.000 0.986 62 A CB 0.055 19.113 19.000 0.097 0.000 1.104 62 A HN 0.575 nan 8.150 nan 0.000 0.481 63 T N -3.816 110.636 114.554 -0.170 0.000 3.003 63 T HA 0.336 4.704 4.350 0.030 0.000 0.261 63 T C 0.579 175.121 174.700 -0.263 0.000 1.003 63 T CA 0.684 62.654 62.100 -0.218 0.000 0.917 63 T CB 0.348 69.117 68.868 -0.165 0.000 1.084 63 T HN 0.457 nan 8.240 nan 0.000 0.522 64 T N 0.532 114.935 114.554 -0.251 0.000 2.896 64 T HA 0.619 4.987 4.350 0.030 0.000 0.297 64 T C -1.577 172.981 174.700 -0.238 0.000 1.108 64 T CA -0.778 61.166 62.100 -0.259 0.000 1.004 64 T CB 0.811 69.585 68.868 -0.156 0.000 1.159 64 T HN 0.059 nan 8.240 nan 0.000 0.499 65 F N 3.016 122.894 119.950 -0.119 0.000 2.518 65 F HA 0.344 4.889 4.527 0.030 0.000 0.359 65 F C 1.380 177.082 175.800 -0.163 0.000 1.118 65 F CA -0.226 57.706 58.000 -0.114 0.000 1.287 65 F CB 0.614 39.579 39.000 -0.058 0.000 1.132 65 F HN 0.427 nan 8.300 nan 0.000 0.587 66 Q N 1.706 121.526 119.800 0.033 0.000 2.222 66 Q HA 0.211 4.569 4.340 0.030 0.000 0.211 66 Q C -0.074 175.884 176.000 -0.070 0.000 1.013 66 Q CA -0.763 54.918 55.803 -0.202 0.000 0.993 66 Q CB 0.584 28.915 28.738 -0.678 0.000 1.151 66 Q HN 0.521 nan 8.270 nan 0.000 0.544 67 N N -0.153 118.501 118.700 -0.077 0.000 2.344 67 N HA 0.022 4.779 4.740 0.030 0.000 0.236 67 N C -0.502 175.013 175.510 0.008 0.000 1.279 67 N CA 0.121 53.160 53.050 -0.018 0.000 0.882 67 N CB 0.423 38.911 38.487 0.002 0.000 1.110 67 N HN 0.177 nan 8.380 nan 0.000 0.436 68 V N 1.594 121.486 119.914 -0.038 0.000 2.546 68 V HA 0.071 4.209 4.120 0.030 0.000 0.284 68 V C 0.771 176.832 176.094 -0.055 0.000 1.050 68 V CA -0.833 61.426 62.300 -0.068 0.000 0.981 68 V CB 0.872 32.619 31.823 -0.128 0.000 0.990 68 V HN 0.715 nan 8.190 nan 0.000 0.474 69 c N 4.217 122.793 118.600 -0.040 0.000 2.692 69 c HA 0.022 4.610 4.570 0.030 0.000 0.409 69 c C 0.473 174.521 174.090 -0.070 0.000 1.284 69 c CA -0.351 55.954 56.329 -0.039 0.000 1.909 69 c CB -0.892 41.616 42.510 -0.005 0.000 2.713 69 c HN 0.752 nan 8.230 nan 0.000 0.649 70 Y N 3.566 123.714 120.300 -0.252 0.000 2.465 70 Y HA 0.367 4.935 4.550 0.030 0.000 0.331 70 Y C 0.655 176.566 175.900 0.017 0.000 1.102 70 Y CA 0.750 58.684 58.100 -0.276 0.000 1.358 70 Y CB 0.141 38.169 38.460 -0.721 0.000 1.213 70 Y HN 0.745 nan 8.280 nan 0.000 0.525 71 Q N 4.126 123.785 119.800 -0.234 0.000 2.575 71 Q HA 0.233 4.591 4.340 0.030 0.000 0.290 71 Q C -1.813 174.254 176.000 0.111 0.000 0.963 71 Q CA -1.253 54.620 55.803 0.116 0.000 0.783 71 Q CB 1.469 30.275 28.738 0.114 0.000 1.467 71 Q HN 0.680 nan 8.270 nan 0.000 0.402 72 Y N 1.269 121.722 120.300 0.255 0.000 2.610 72 Y HA 0.330 4.898 4.550 0.029 0.000 0.332 72 Y C -0.916 175.118 175.900 0.224 0.000 1.201 72 Y CA 0.089 58.369 58.100 0.300 0.000 1.465 72 Y CB 0.826 39.634 38.460 0.580 0.000 1.283 72 Y HN 0.447 nan 8.280 nan 0.000 0.563 73 V N 6.635 126.225 119.914 -0.539 0.000 2.427 73 V HA 0.101 4.239 4.120 0.030 0.000 0.286 73 V C -0.398 175.245 176.094 -0.752 0.000 1.034 73 V CA -0.927 61.108 62.300 -0.442 0.000 0.893 73 V CB 1.449 33.116 31.823 -0.261 0.000 0.982 73 V HN 0.785 nan 8.190 nan 0.000 0.452 74 D N 2.997 123.248 120.400 -0.249 0.000 2.348 74 D HA 0.308 4.966 4.640 0.030 0.000 0.253 74 D C 0.802 177.110 176.300 0.014 0.000 1.161 74 D CA 0.188 54.190 54.000 0.003 0.000 0.876 74 D CB 1.126 42.119 40.800 0.322 0.000 1.160 74 D HN 0.759 nan 8.370 nan 0.000 0.459 75 T N 1.500 116.078 114.554 0.040 0.000 3.339 75 T HA 0.066 4.433 4.350 0.030 0.000 0.292 75 T C 1.257 175.956 174.700 -0.001 0.000 1.012 75 T CA -0.518 61.595 62.100 0.021 0.000 0.937 75 T CB -0.071 68.792 68.868 -0.007 0.000 1.164 75 T HN 0.264 nan 8.240 nan 0.000 0.509 76 L N 0.690 121.902 121.223 -0.019 0.000 2.017 76 L HA 0.254 4.612 4.340 0.030 0.000 0.208 76 L C -0.176 176.435 176.870 -0.432 0.000 1.073 76 L CA 1.601 56.256 54.840 -0.309 0.000 0.745 76 L CB -0.401 41.333 42.059 -0.543 0.000 0.894 76 L HN 0.445 nan 8.230 nan 0.000 0.432 77 Y N -0.168 120.163 120.300 0.052 0.000 2.658 77 Y HA 0.420 4.988 4.550 0.030 0.000 0.362 77 Y C -2.211 173.742 175.900 0.090 0.000 1.017 77 Y CA -3.559 54.572 58.100 0.052 0.000 1.134 77 Y CB -0.184 38.334 38.460 0.095 0.000 1.144 77 Y HN 0.081 nan 8.280 nan 0.000 0.655 78 P HA 0.104 nan 4.420 nan 0.000 0.261 78 P C 1.061 178.423 177.300 0.103 0.000 1.183 78 P CA 1.631 64.791 63.100 0.099 0.000 0.761 78 P CB 0.764 32.494 31.700 0.050 0.000 0.785 79 G N 2.719 111.563 108.800 0.075 0.000 2.234 79 G HA2 -0.304 3.674 3.960 0.030 0.000 0.260 79 G HA3 -0.304 3.674 3.960 0.030 0.000 0.260 79 G C 0.070 175.016 174.900 0.077 0.000 0.987 79 G CA -0.353 44.776 45.100 0.049 0.000 0.625 79 G HN 0.543 nan 8.290 nan 0.000 0.532 80 F N 2.439 122.351 119.950 -0.064 0.000 2.506 80 F HA 0.575 5.119 4.527 0.029 0.000 0.371 80 F C 1.369 177.066 175.800 -0.172 0.000 1.078 80 F CA -0.519 57.390 58.000 -0.152 0.000 1.195 80 F CB 1.250 40.127 39.000 -0.205 0.000 1.099 80 F HN 0.136 nan 8.300 nan 0.000 0.548 81 E N 4.050 123.870 120.200 -0.633 0.000 2.118 81 E HA -0.099 4.268 4.350 0.030 0.000 0.195 81 E C 2.262 178.292 176.600 -0.950 0.000 0.992 81 E CA 1.800 57.802 56.400 -0.664 0.000 0.804 81 E CB -0.521 28.898 29.700 -0.468 0.000 0.741 81 E HN 0.886 nan 8.360 nan 0.000 0.458 82 G N -0.904 106.672 108.800 -2.040 0.000 2.450 82 G HA2 -0.290 3.688 3.960 0.030 0.000 0.220 82 G HA3 -0.290 3.688 3.960 0.030 0.000 0.220 82 G C 1.678 176.427 174.900 -0.252 0.000 1.130 82 G CA 1.755 45.947 45.100 -1.514 0.000 0.760 82 G HN 0.496 nan 8.290 nan 0.000 0.557 83 T N -2.147 112.241 114.554 -0.276 0.000 3.046 83 T HA 0.125 4.493 4.350 0.030 0.000 0.242 83 T C 1.937 176.756 174.700 0.198 0.000 1.018 83 T CA 0.816 63.143 62.100 0.378 0.000 1.131 83 T CB -0.019 69.154 68.868 0.508 0.000 0.904 83 T HN 0.062 nan 8.240 nan 0.000 0.459 84 E N 2.452 122.633 120.200 -0.032 0.000 2.171 84 E HA -0.171 4.197 4.350 0.030 0.000 0.197 84 E C 2.198 178.708 176.600 -0.149 0.000 0.997 84 E CA 1.617 57.976 56.400 -0.067 0.000 0.810 84 E CB -0.627 29.003 29.700 -0.117 0.000 0.738 84 E HN 0.834 nan 8.360 nan 0.000 0.467 85 M N -2.611 116.803 119.600 -0.309 0.000 2.446 85 M HA -0.081 4.417 4.480 0.030 0.000 0.263 85 M C 1.260 177.170 176.300 -0.651 0.000 1.066 85 M CA 1.400 56.371 55.300 -0.549 0.000 1.087 85 M CB -0.489 31.665 32.600 -0.743 0.000 1.406 85 M HN 0.014 nan 8.290 nan 0.000 0.459 86 W N 0.483 121.742 121.300 -0.069 0.000 3.107 86 W HA 0.312 4.989 4.660 0.029 0.000 0.293 86 W C 0.451 176.920 176.519 -0.084 0.000 1.239 86 W CA -0.924 56.374 57.345 -0.078 0.000 1.653 86 W CB -0.121 29.343 29.460 0.007 0.000 1.068 86 W HN 0.066 nan 8.180 nan 0.000 0.615 87 N N 1.877 120.631 118.700 0.089 0.000 2.482 87 N HA 0.096 4.853 4.740 0.030 0.000 0.260 87 N C -2.459 173.011 175.510 -0.067 0.000 1.236 87 N CA -1.225 51.836 53.050 0.019 0.000 0.938 87 N CB 0.014 38.502 38.487 0.002 0.000 1.128 87 N HN -0.336 nan 8.380 nan 0.000 0.448 88 P HA 0.030 nan 4.420 nan 0.000 0.262 88 P C 0.297 177.524 177.300 -0.120 0.000 1.199 88 P CA 0.066 63.090 63.100 -0.126 0.000 0.763 88 P CB 0.220 31.839 31.700 -0.136 0.000 0.790 89 N N 2.956 121.574 118.700 -0.137 0.000 2.205 89 N HA 0.045 4.803 4.740 0.030 0.000 0.201 89 N C 0.257 175.713 175.510 -0.090 0.000 1.128 89 N CA 0.185 53.164 53.050 -0.119 0.000 0.867 89 N CB 0.366 38.768 38.487 -0.142 0.000 0.996 89 N HN 0.165 nan 8.380 nan 0.000 0.503 90 R N 0.298 120.742 120.500 -0.093 0.000 2.930 90 R HA 0.324 4.682 4.340 0.030 0.000 0.257 90 R C -0.164 176.097 176.300 -0.065 0.000 1.107 90 R CA -0.674 55.388 56.100 -0.063 0.000 0.999 90 R CB 0.718 30.987 30.300 -0.050 0.000 1.209 90 R HN 0.107 nan 8.270 nan 0.000 0.486 91 E N 1.529 121.701 120.200 -0.048 0.000 2.481 91 E HA -0.020 4.348 4.350 0.030 0.000 0.263 91 E C -0.024 176.549 176.600 -0.046 0.000 0.992 91 E CA 0.331 56.707 56.400 -0.040 0.000 0.938 91 E CB 0.434 30.118 29.700 -0.026 0.000 0.933 91 E HN 0.270 nan 8.360 nan 0.000 0.453 92 L N 2.097 123.291 121.223 -0.049 0.000 2.349 92 L HA 0.173 4.531 4.340 0.030 0.000 0.275 92 L C 0.628 177.543 176.870 0.075 0.000 1.115 92 L CA 0.084 54.887 54.840 -0.061 0.000 0.820 92 L CB 0.897 42.827 42.059 -0.215 0.000 1.135 92 L HN 0.392 nan 8.230 nan 0.000 0.445 93 S N 1.515 117.268 115.700 0.089 0.000 2.535 93 S HA 0.191 4.678 4.470 0.030 0.000 0.272 93 S C 0.297 174.890 174.600 -0.011 0.000 1.149 93 S CA -0.692 57.550 58.200 0.070 0.000 0.888 93 S CB 1.625 64.839 63.200 0.024 0.000 1.110 93 S HN 0.747 nan 8.310 nan 0.000 0.463 94 E N 1.149 121.270 120.200 -0.133 0.000 2.268 94 E HA -0.094 4.274 4.350 0.030 0.000 0.195 94 E C -0.275 176.234 176.600 -0.152 0.000 0.995 94 E CA 0.715 56.963 56.400 -0.252 0.000 0.836 94 E CB 0.093 29.589 29.700 -0.340 0.000 0.763 94 E HN 0.590 nan 8.360 nan 0.000 0.491 95 D N 0.028 120.378 120.400 -0.084 0.000 2.393 95 D HA 0.012 4.670 4.640 0.030 0.000 0.232 95 D C -0.046 176.289 176.300 0.059 0.000 1.192 95 D CA -0.397 53.576 54.000 -0.045 0.000 0.882 95 D CB 0.265 41.061 40.800 -0.007 0.000 1.038 95 D HN 0.107 nan 8.370 nan 0.000 0.499 96 c N 2.922 121.517 118.600 -0.008 0.000 3.798 96 c HA 0.338 4.926 4.570 0.030 0.000 0.285 96 c C 0.409 174.495 174.090 -0.006 0.000 1.968 96 c CA -0.689 55.710 56.329 0.117 0.000 1.685 96 c CB -1.276 41.265 42.510 0.052 0.000 3.276 96 c HN 0.492 nan 8.230 nan 0.000 0.525 97 L N 2.496 123.440 121.223 -0.465 0.000 2.399 97 L HA 0.417 4.775 4.340 0.030 0.000 0.257 97 L C -1.021 175.216 176.870 -1.054 0.000 1.236 97 L CA 0.508 54.894 54.840 -0.756 0.000 1.144 97 L CB -0.657 40.800 42.059 -1.002 0.000 1.379 97 L HN 0.379 nan 8.230 nan 0.000 0.414 98 Y N 1.666 121.980 120.300 0.023 0.000 2.477 98 Y HA 0.576 5.144 4.550 0.030 0.000 0.347 98 Y C -0.064 176.025 175.900 0.315 0.000 0.981 98 Y CA -1.266 56.920 58.100 0.143 0.000 1.033 98 Y CB 1.963 40.439 38.460 0.027 0.000 1.245 98 Y HN 0.197 nan 8.280 nan 0.000 0.455 99 L N 0.340 121.746 121.223 0.305 0.000 2.313 99 L HA 0.785 5.143 4.340 0.030 0.000 0.268 99 L C -0.966 175.913 176.870 0.015 0.000 1.010 99 L CA -1.063 53.810 54.840 0.054 0.000 0.814 99 L CB 1.332 43.222 42.059 -0.283 0.000 1.304 99 L HN 0.455 nan 8.230 nan 0.000 0.441 100 N N 0.093 118.812 118.700 0.030 0.000 2.238 100 N HA 0.688 5.446 4.740 0.030 0.000 0.302 100 N C -1.489 173.972 175.510 -0.082 0.000 1.072 100 N CA -0.463 52.545 53.050 -0.070 0.000 0.792 100 N CB 2.768 41.213 38.487 -0.070 0.000 1.425 100 N HN 0.483 nan 8.380 nan 0.000 0.478 101 V N 1.299 121.113 119.914 -0.165 0.000 2.531 101 V HA 0.429 4.567 4.120 0.030 0.000 0.301 101 V C -0.730 175.378 176.094 0.023 0.000 1.034 101 V CA -0.805 61.475 62.300 -0.034 0.000 0.865 101 V CB 2.019 33.666 31.823 -0.292 0.000 0.995 101 V HN 0.542 nan 8.190 nan 0.000 0.424 102 W N 3.230 124.662 121.300 0.219 0.000 2.478 102 W HA 0.629 5.307 4.660 0.030 0.000 0.318 102 W C 0.251 176.912 176.519 0.238 0.000 1.062 102 W CA -0.408 57.073 57.345 0.226 0.000 1.210 102 W CB 2.331 31.891 29.460 0.167 0.000 1.325 102 W HN 0.637 nan 8.180 nan 0.000 0.496 103 T N 0.448 115.289 114.554 0.478 0.000 2.916 103 T HA 0.497 4.865 4.350 0.030 0.000 0.292 103 T C -2.765 172.129 174.700 0.322 0.000 1.055 103 T CA -2.650 59.675 62.100 0.375 0.000 1.009 103 T CB 2.220 71.316 68.868 0.380 0.000 1.118 103 T HN -0.070 nan 8.240 nan 0.000 0.497 104 P HA 0.099 nan 4.420 nan 0.000 0.265 104 P C -1.506 175.935 177.300 0.236 0.000 1.187 104 P CA 0.041 63.267 63.100 0.209 0.000 0.766 104 P CB 0.014 31.802 31.700 0.147 0.000 0.820 105 Y N 4.914 125.275 120.300 0.102 0.000 2.345 105 Y HA 0.399 4.967 4.550 0.030 0.000 0.331 105 Y C -2.107 173.829 175.900 0.061 0.000 0.959 105 Y CA -2.535 55.615 58.100 0.083 0.000 1.204 105 Y CB 1.058 39.555 38.460 0.062 0.000 1.135 105 Y HN 0.338 nan 8.280 nan 0.000 0.477 106 P HA 0.154 nan 4.420 nan 0.000 0.274 106 P C -1.051 176.193 177.300 -0.094 0.000 1.237 106 P CA -0.587 62.305 63.100 -0.346 0.000 0.793 106 P CB 1.015 32.568 31.700 -0.246 0.000 0.977 107 R N 1.940 122.398 120.500 -0.070 0.000 2.522 107 R HA 0.167 4.524 4.340 0.030 0.000 0.284 107 R C -1.960 174.358 176.300 0.030 0.000 1.032 107 R CA -1.149 54.976 56.100 0.042 0.000 1.049 107 R CB -1.069 29.273 30.300 0.070 0.000 0.956 107 R HN 0.311 nan 8.270 nan 0.000 0.422 108 P HA -0.204 nan 4.420 nan 0.000 0.258 108 P C 0.083 177.398 177.300 0.025 0.000 1.136 108 P CA 1.033 64.162 63.100 0.048 0.000 0.761 108 P CB 0.345 32.086 31.700 0.067 0.000 0.724 109 A N 3.543 126.372 122.820 0.015 0.000 1.933 109 A HA -0.048 4.289 4.320 0.030 0.000 0.218 109 A C 1.001 178.588 177.584 0.006 0.000 1.175 109 A CA 1.684 53.724 52.037 0.005 0.000 0.628 109 A CB -0.427 18.575 19.000 0.003 0.000 0.814 109 A HN 0.640 nan 8.150 nan 0.000 0.444 110 S N -1.453 114.254 115.700 0.012 0.000 2.599 110 S HA 0.624 5.112 4.470 0.030 0.000 0.294 110 S C -3.230 171.380 174.600 0.017 0.000 1.094 110 S CA -1.913 56.293 58.200 0.009 0.000 0.931 110 S CB 1.222 64.424 63.200 0.004 0.000 1.093 110 S HN -0.001 nan 8.310 nan 0.000 0.488 111 P HA 0.213 nan 4.420 nan 0.000 0.262 111 P C -0.723 176.590 177.300 0.021 0.000 1.199 111 P CA 0.261 63.372 63.100 0.019 0.000 0.763 111 P CB -0.005 31.698 31.700 0.006 0.000 0.790 112 T N 5.964 120.543 114.554 0.040 0.000 2.794 112 T HA 0.342 4.710 4.350 0.030 0.000 0.280 112 T C -2.385 172.341 174.700 0.044 0.000 0.987 112 T CA -1.849 60.278 62.100 0.044 0.000 0.993 112 T CB 0.596 69.504 68.868 0.068 0.000 0.939 112 T HN 0.156 nan 8.240 nan 0.000 0.449 113 P HA -0.018 nan 4.420 nan 0.000 0.257 113 P C -0.797 176.540 177.300 0.061 0.000 1.153 113 P CA 0.209 63.323 63.100 0.022 0.000 0.762 113 P CB 0.189 31.888 31.700 -0.001 0.000 0.743 114 V N 6.105 126.070 119.914 0.086 0.000 2.398 114 V HA 0.242 4.380 4.120 0.030 0.000 0.286 114 V C 0.430 176.615 176.094 0.151 0.000 1.026 114 V CA -0.493 61.884 62.300 0.129 0.000 0.868 114 V CB 1.245 33.153 31.823 0.142 0.000 0.982 114 V HN 0.291 nan 8.190 nan 0.000 0.443 115 L N 6.190 127.518 121.223 0.175 0.000 2.307 115 L HA 0.563 4.921 4.340 0.030 0.000 0.282 115 L C -0.234 176.886 176.870 0.416 0.000 1.051 115 L CA 0.207 55.193 54.840 0.244 0.000 0.804 115 L CB 1.371 43.473 42.059 0.071 0.000 1.197 115 L HN 0.464 nan 8.230 nan 0.000 0.431 116 I N 2.404 123.258 120.570 0.474 0.000 2.389 116 I HA 0.221 4.409 4.170 0.030 0.000 0.288 116 I C -0.817 175.539 176.117 0.398 0.000 0.999 116 I CA -0.523 61.011 61.300 0.390 0.000 1.129 116 I CB 1.341 39.442 38.000 0.168 0.000 1.288 116 I HN 0.628 nan 8.210 nan 0.000 0.444 117 W N 8.171 129.519 121.300 0.080 0.000 2.365 117 W HA 0.583 5.260 4.660 0.029 0.000 0.316 117 W C -1.497 174.883 176.519 -0.232 0.000 1.164 117 W CA -0.595 56.548 57.345 -0.336 0.000 1.204 117 W CB 1.181 30.535 29.460 -0.175 0.000 1.213 117 W HN 0.360 nan 8.180 nan 0.000 0.539 118 I N 8.745 128.660 120.570 -1.091 0.000 2.382 118 I HA 0.079 4.267 4.170 0.030 0.000 0.286 118 I C -0.151 175.096 176.117 -1.449 0.000 1.002 118 I CA -1.092 59.616 61.300 -0.986 0.000 1.135 118 I CB 0.905 38.488 38.000 -0.695 0.000 1.288 118 I HN 0.309 nan 8.210 nan 0.000 0.448 119 Y N 4.917 124.709 120.300 -0.846 0.000 2.296 119 Y HA 0.723 5.291 4.550 0.029 0.000 0.343 119 Y C 0.715 176.408 175.900 -0.345 0.000 1.292 119 Y CA -0.804 56.914 58.100 -0.638 0.000 1.490 119 Y CB -0.106 38.185 38.460 -0.281 0.000 1.359 119 Y HN 0.514 nan 8.280 nan 0.000 0.599 120 G N -1.372 107.459 108.800 0.052 0.000 2.890 120 G HA2 0.486 4.464 3.960 0.030 0.000 0.189 120 G HA3 0.486 4.464 3.960 0.030 0.000 0.189 120 G C 0.259 175.087 174.900 -0.120 0.000 1.342 120 G CA -0.963 44.075 45.100 -0.104 0.000 1.026 120 G HN 1.749 nan 8.290 nan 0.000 0.579 121 G N -2.202 106.364 108.800 -0.389 0.000 2.186 121 G HA2 0.362 4.340 3.960 0.030 0.000 0.130 121 G HA3 0.362 4.340 3.960 0.030 0.000 0.130 121 G C 1.130 175.449 174.900 -0.968 0.000 1.031 121 G CA 0.676 45.401 45.100 -0.625 0.000 0.697 121 G HN 2.340 nan 8.290 nan 0.000 0.494 122 G N -0.370 107.889 108.800 -0.900 0.000 2.379 122 G HA2 -0.065 3.913 3.960 0.030 0.000 0.297 122 G HA3 -0.065 3.913 3.960 0.030 0.000 0.297 122 G C 0.888 175.474 174.900 -0.525 0.000 1.004 122 G CA 0.725 45.192 45.100 -1.055 0.000 0.921 122 G HN 1.911 nan 8.290 nan 0.000 0.511 123 F N -3.352 116.484 119.950 -0.190 0.000 3.048 123 F HA -0.328 4.217 4.527 0.030 0.000 0.287 123 F C 1.428 177.356 175.800 0.214 0.000 0.796 123 F CA 2.047 60.088 58.000 0.068 0.000 1.111 123 F CB -2.254 36.635 39.000 -0.186 0.000 1.320 123 F HN 0.891 nan 8.300 nan 0.000 0.430 124 Y N -1.606 118.801 120.300 0.178 0.000 2.471 124 Y HA 0.635 5.203 4.550 0.029 0.000 0.249 124 Y C 0.542 176.575 175.900 0.221 0.000 1.116 124 Y CA 0.081 58.315 58.100 0.222 0.000 1.240 124 Y CB -0.058 38.509 38.460 0.178 0.000 1.251 124 Y HN 0.075 nan 8.280 nan 0.000 0.527 125 S N -0.814 114.764 115.700 -0.203 0.000 2.727 125 S HA 0.882 5.369 4.470 0.030 0.000 0.278 125 S C -0.096 174.360 174.600 -0.241 0.000 1.186 125 S CA -0.564 57.546 58.200 -0.150 0.000 0.836 125 S CB 1.490 64.583 63.200 -0.178 0.000 1.186 125 S HN 1.398 nan 8.310 nan 0.000 0.499 126 G N -0.722 107.891 108.800 -0.311 0.000 2.497 126 G HA2 0.533 4.511 3.960 0.030 0.000 0.686 126 G HA3 0.533 4.511 3.960 0.030 0.000 0.686 126 G C -0.627 173.600 174.900 -1.121 0.000 1.288 126 G CA -0.301 44.412 45.100 -0.645 0.000 0.899 126 G HN 2.290 nan 8.290 nan 0.000 0.608 127 A N -1.148 120.841 122.820 -1.384 0.000 2.583 127 A HA 0.975 5.313 4.320 0.030 0.000 0.298 127 A C 0.561 177.982 177.584 -0.271 0.000 1.055 127 A CA 0.809 52.391 52.037 -0.759 0.000 0.714 127 A CB 0.757 19.538 19.000 -0.365 0.000 1.277 127 A HN 2.595 nan 8.150 nan 0.000 0.406 128 A N 0.730 123.590 122.820 0.068 0.000 2.119 128 A HA 0.193 4.531 4.320 0.030 0.000 0.216 128 A C 1.944 179.512 177.584 -0.025 0.000 1.152 128 A CA 2.035 54.250 52.037 0.296 0.000 0.708 128 A CB -0.580 18.644 19.000 0.374 0.000 0.805 128 A HN 1.906 nan 8.150 nan 0.000 0.460 129 S N -0.259 115.172 115.700 -0.449 0.000 2.522 129 S HA 0.203 4.690 4.470 0.030 0.000 0.227 129 S C 0.693 174.930 174.600 -0.604 0.000 0.986 129 S CA -0.306 57.193 58.200 -1.169 0.000 0.929 129 S CB -0.684 61.822 63.200 -1.157 0.000 0.769 129 S HN 0.412 nan 8.310 nan 0.000 0.529 130 L N 2.250 123.260 121.223 -0.357 0.000 2.506 130 L HA 0.055 4.413 4.340 0.030 0.000 0.281 130 L C 1.270 177.842 176.870 -0.496 0.000 1.228 130 L CA -0.247 54.330 54.840 -0.438 0.000 0.850 130 L CB 0.167 41.871 42.059 -0.592 0.000 1.110 130 L HN 0.115 nan 8.230 nan 0.000 0.496 131 D N 0.947 121.073 120.400 -0.456 0.000 2.144 131 D HA -0.121 4.536 4.640 0.030 0.000 0.200 131 D C 1.988 178.009 176.300 -0.466 0.000 0.978 131 D CA 1.216 55.009 54.000 -0.345 0.000 0.833 131 D CB 0.031 40.670 40.800 -0.269 0.000 0.961 131 D HN 0.525 nan 8.370 nan 0.000 0.470 132 V N -1.038 118.444 119.914 -0.720 0.000 3.078 132 V HA -0.164 3.974 4.120 0.030 0.000 0.265 132 V C 0.808 176.280 176.094 -1.037 0.000 1.122 132 V CA 1.031 62.870 62.300 -0.768 0.000 1.141 132 V CB -1.306 30.043 31.823 -0.791 0.000 0.735 132 V HN 0.083 nan 8.190 nan 0.000 0.498 133 Y N 0.322 120.048 120.300 -0.957 0.000 2.756 133 Y HA 0.509 5.077 4.550 0.029 0.000 0.300 133 Y C 0.588 175.821 175.900 -1.111 0.000 1.113 133 Y CA -2.205 54.840 58.100 -1.758 0.000 1.291 133 Y CB -0.771 36.999 38.460 -1.150 0.000 1.175 133 Y HN 0.187 nan 8.280 nan 0.000 0.534 134 D N 1.015 121.057 120.400 -0.598 0.000 2.358 134 D HA 0.102 4.760 4.640 0.030 0.000 0.258 134 D C 1.240 177.169 176.300 -0.618 0.000 1.223 134 D CA 0.261 54.005 54.000 -0.426 0.000 0.886 134 D CB 1.399 42.112 40.800 -0.145 0.000 1.120 134 D HN 0.510 nan 8.370 nan 0.000 0.482 135 G N 4.130 111.964 108.800 -1.610 0.000 3.262 135 G HA2 -0.120 3.858 3.960 0.030 0.000 0.228 135 G HA3 -0.120 3.858 3.960 0.030 0.000 0.228 135 G C 1.398 175.661 174.900 -1.062 0.000 1.197 135 G CA -0.169 44.206 45.100 -1.207 0.000 0.819 135 G HN 0.557 nan 8.290 nan 0.000 0.531 136 R N -0.426 119.438 120.500 -1.059 0.000 2.093 136 R HA 0.031 4.389 4.340 0.030 0.000 0.224 136 R C 1.536 177.577 176.300 -0.432 0.000 1.101 136 R CA 0.821 56.528 56.100 -0.655 0.000 0.979 136 R CB -0.671 29.263 30.300 -0.611 0.000 0.877 136 R HN 0.291 nan 8.270 nan 0.000 0.441 137 F N 1.908 121.770 119.950 -0.146 0.000 2.075 137 F HA -0.029 4.517 4.527 0.030 0.000 0.297 137 F C 2.461 178.216 175.800 -0.075 0.000 1.113 137 F CA 1.013 58.959 58.000 -0.090 0.000 1.218 137 F CB -0.753 38.185 39.000 -0.102 0.000 0.984 137 F HN -0.130 nan 8.300 nan 0.000 0.472 138 L N -0.211 121.068 121.223 0.093 0.000 2.187 138 L HA -0.210 4.148 4.340 0.030 0.000 0.213 138 L C 2.616 179.510 176.870 0.040 0.000 1.100 138 L CA 0.968 55.819 54.840 0.018 0.000 0.765 138 L CB -0.888 41.136 42.059 -0.059 0.000 0.904 138 L HN 0.208 nan 8.230 nan 0.000 0.437 139 A N -0.981 121.867 122.820 0.047 0.000 1.854 139 A HA -0.200 4.138 4.320 0.030 0.000 0.214 139 A C 2.266 179.908 177.584 0.097 0.000 1.192 139 A CA 1.276 53.380 52.037 0.111 0.000 0.611 139 A CB -0.425 18.686 19.000 0.186 0.000 0.832 139 A HN 0.342 nan 8.150 nan 0.000 0.442 140 Q N 0.144 119.984 119.800 0.066 0.000 1.916 140 Q HA -0.098 4.259 4.340 0.030 0.000 0.203 140 Q C 2.283 178.324 176.000 0.068 0.000 0.983 140 Q CA 2.193 58.038 55.803 0.070 0.000 0.846 140 Q CB -0.754 28.011 28.738 0.044 0.000 0.909 140 Q HN 0.349 nan 8.270 nan 0.000 0.427 141 V N 1.878 121.833 119.914 0.068 0.000 2.231 141 V HA -0.230 3.908 4.120 0.030 0.000 0.248 141 V C 2.102 178.219 176.094 0.038 0.000 1.054 141 V CA 2.279 64.610 62.300 0.052 0.000 1.015 141 V CB -0.566 31.285 31.823 0.047 0.000 0.638 141 V HN 0.363 nan 8.190 nan 0.000 0.444 142 E N -0.189 120.031 120.200 0.034 0.000 2.479 142 E HA 0.168 4.536 4.350 0.030 0.000 0.193 142 E C 1.563 178.186 176.600 0.039 0.000 1.049 142 E CA 0.692 57.107 56.400 0.025 0.000 0.870 142 E CB 0.072 29.777 29.700 0.009 0.000 0.944 142 E HN 0.724 nan 8.360 nan 0.000 0.492 143 G N 1.745 110.578 108.800 0.056 0.000 2.338 143 G HA2 -0.252 3.726 3.960 0.030 0.000 0.296 143 G HA3 -0.252 3.726 3.960 0.030 0.000 0.296 143 G C 0.222 175.168 174.900 0.078 0.000 1.040 143 G CA 0.480 45.623 45.100 0.071 0.000 1.004 143 G HN 0.418 nan 8.290 nan 0.000 0.509 144 A N -0.675 122.198 122.820 0.088 0.000 2.325 144 A HA 0.823 5.161 4.320 0.030 0.000 0.333 144 A C 0.256 177.930 177.584 0.150 0.000 1.155 144 A CA -0.417 51.677 52.037 0.096 0.000 0.814 144 A CB 1.826 20.865 19.000 0.065 0.000 1.206 144 A HN 1.159 nan 8.150 nan 0.000 0.482 145 V N 2.750 122.758 119.914 0.156 0.000 2.389 145 V HA 0.273 4.411 4.120 0.030 0.000 0.264 145 V C -0.080 176.153 176.094 0.232 0.000 1.049 145 V CA 0.067 62.488 62.300 0.202 0.000 0.932 145 V CB 0.395 32.320 31.823 0.170 0.000 1.011 145 V HN 0.695 nan 8.190 nan 0.000 0.475 146 L N 6.887 128.305 121.223 0.325 0.000 2.313 146 L HA 0.723 5.081 4.340 0.030 0.000 0.283 146 L C -0.691 176.484 176.870 0.508 0.000 1.013 146 L CA -0.205 54.878 54.840 0.404 0.000 0.816 146 L CB 1.606 43.898 42.059 0.388 0.000 1.236 146 L HN 0.446 nan 8.230 nan 0.000 0.419 147 V N 3.141 123.321 119.914 0.444 0.000 2.680 147 V HA 0.752 4.890 4.120 0.030 0.000 0.309 147 V C -0.384 175.964 176.094 0.424 0.000 1.052 147 V CA -0.461 62.060 62.300 0.368 0.000 0.908 147 V CB 1.868 33.823 31.823 0.220 0.000 1.001 147 V HN 0.846 nan 8.190 nan 0.000 0.431 148 S N 4.685 120.622 115.700 0.396 0.000 2.540 148 S HA 0.883 5.371 4.470 0.030 0.000 0.275 148 S C -0.901 173.836 174.600 0.229 0.000 1.123 148 S CA -0.824 57.604 58.200 0.379 0.000 0.907 148 S CB 2.330 65.887 63.200 0.595 0.000 1.081 148 S HN 0.962 nan 8.310 nan 0.000 0.476 149 M N 1.331 121.016 119.600 0.141 0.000 2.644 149 M HA 0.659 5.156 4.480 0.030 0.000 0.304 149 M C -1.742 174.717 176.300 0.266 0.000 1.215 149 M CA -0.547 54.813 55.300 0.100 0.000 0.871 149 M CB 1.227 33.696 32.600 -0.217 0.000 1.740 149 M HN 0.573 nan 8.290 nan 0.000 0.464 150 N N 2.207 121.142 118.700 0.390 0.000 2.524 150 N HA 0.627 5.385 4.740 0.030 0.000 0.283 150 N C -1.320 174.443 175.510 0.422 0.000 1.142 150 N CA 0.092 53.398 53.050 0.427 0.000 0.984 150 N CB 0.709 39.394 38.487 0.329 0.000 1.155 150 N HN 0.747 nan 8.380 nan 0.000 0.467 151 Y N -2.218 118.231 120.300 0.249 0.000 2.581 151 Y HA 0.554 5.121 4.550 0.029 0.000 0.345 151 Y C -0.217 175.801 175.900 0.197 0.000 1.036 151 Y CA -1.358 56.848 58.100 0.177 0.000 1.042 151 Y CB 0.930 39.428 38.460 0.064 0.000 1.289 151 Y HN 0.184 nan 8.280 nan 0.000 0.471 152 R N 2.058 122.684 120.500 0.211 0.000 2.449 152 R HA 0.446 4.804 4.340 0.030 0.000 0.296 152 R C -0.123 176.296 176.300 0.199 0.000 1.047 152 R CA -0.253 55.919 56.100 0.119 0.000 1.018 152 R CB 0.689 31.023 30.300 0.056 0.000 0.962 152 R HN 0.701 nan 8.270 nan 0.000 0.428 153 V N 0.811 120.877 119.914 0.253 0.000 3.302 153 V HA 0.846 4.984 4.120 0.030 0.000 0.316 153 V C 0.969 177.359 176.094 0.494 0.000 1.111 153 V CA -0.045 62.524 62.300 0.448 0.000 1.029 153 V CB 1.022 33.031 31.823 0.310 0.000 1.170 153 V HN 0.952 nan 8.190 nan 0.000 0.452 154 G N 1.625 110.758 108.800 0.554 0.000 2.574 154 G HA2 -0.310 3.668 3.960 0.030 0.000 0.282 154 G HA3 -0.310 3.668 3.960 0.030 0.000 0.282 154 G C 0.917 175.932 174.900 0.191 0.000 1.257 154 G CA 1.485 46.825 45.100 0.399 0.000 0.956 154 G HN 2.156 nan 8.290 nan 0.000 0.560 155 T N -1.397 113.007 114.554 -0.250 0.000 2.720 155 T HA -0.102 4.266 4.350 0.030 0.000 0.268 155 T C 2.137 176.702 174.700 -0.224 0.000 1.037 155 T CA 2.495 64.211 62.100 -0.640 0.000 1.144 155 T CB -0.410 67.936 68.868 -0.869 0.000 0.864 155 T HN 0.550 nan 8.240 nan 0.000 0.444 156 F N 2.285 122.287 119.950 0.086 0.000 2.236 156 F HA 0.152 4.697 4.527 0.029 0.000 0.302 156 F C 2.599 178.391 175.800 -0.014 0.000 1.073 156 F CA 0.941 58.942 58.000 0.002 0.000 1.336 156 F CB -0.832 38.145 39.000 -0.039 0.000 1.040 156 F HN 0.408 nan 8.300 nan 0.000 0.507 157 G N -2.698 106.151 108.800 0.083 0.000 2.781 157 G HA2 0.091 4.069 3.960 0.030 0.000 0.208 157 G HA3 0.091 4.069 3.960 0.030 0.000 0.208 157 G C 0.840 175.332 174.900 -0.681 0.000 1.099 157 G CA 0.084 44.998 45.100 -0.310 0.000 0.776 157 G HN 0.309 nan 8.290 nan 0.000 0.532 158 F N -0.226 119.803 119.950 0.131 0.000 2.856 158 F HA 0.447 4.992 4.527 0.030 0.000 0.338 158 F C 0.517 176.368 175.800 0.085 0.000 1.100 158 F CA -0.969 57.084 58.000 0.090 0.000 1.150 158 F CB 0.462 39.525 39.000 0.104 0.000 1.101 158 F HN -0.079 nan 8.300 nan 0.000 0.548 159 L N 2.166 123.412 121.223 0.038 0.000 2.534 159 L HA 0.511 4.869 4.340 0.030 0.000 0.271 159 L C -0.024 176.782 176.870 -0.106 0.000 1.178 159 L CA 0.040 54.784 54.840 -0.161 0.000 0.907 159 L CB 0.140 41.804 42.059 -0.658 0.000 1.164 159 L HN 0.117 nan 8.230 nan 0.000 0.482 160 A N 6.097 128.915 122.820 -0.004 0.000 2.414 160 A HA 0.718 5.056 4.320 0.030 0.000 0.306 160 A C -1.124 176.434 177.584 -0.044 0.000 1.054 160 A CA -0.613 51.406 52.037 -0.029 0.000 0.724 160 A CB 1.367 20.384 19.000 0.028 0.000 1.267 160 A HN 0.698 nan 8.150 nan 0.000 0.418 161 L N 3.144 124.328 121.223 -0.066 0.000 2.387 161 L HA 0.333 4.691 4.340 0.030 0.000 0.259 161 L C -2.425 174.431 176.870 -0.024 0.000 1.050 161 L CA -1.655 53.157 54.840 -0.047 0.000 0.922 161 L CB 1.475 43.493 42.059 -0.068 0.000 1.280 161 L HN 0.414 nan 8.230 nan 0.000 0.449 162 P HA 0.043 nan 4.420 nan 0.000 0.265 162 P C 1.004 178.304 177.300 -0.001 0.000 1.187 162 P CA 0.813 63.912 63.100 -0.001 0.000 0.766 162 P CB 0.805 32.504 31.700 -0.001 0.000 0.820 163 G N 1.411 110.215 108.800 0.006 0.000 2.205 163 G HA2 -0.256 3.722 3.960 0.030 0.000 0.261 163 G HA3 -0.256 3.722 3.960 0.030 0.000 0.261 163 G C 0.458 175.361 174.900 0.006 0.000 0.980 163 G CA 0.404 45.508 45.100 0.007 0.000 0.632 163 G HN 0.818 nan 8.290 nan 0.000 0.533 164 S N -0.654 115.047 115.700 0.003 0.000 2.645 164 S HA 0.670 5.158 4.470 0.030 0.000 0.266 164 S C 1.311 175.919 174.600 0.013 0.000 1.258 164 S CA 0.177 58.379 58.200 0.004 0.000 0.990 164 S CB 1.562 64.758 63.200 -0.006 0.000 0.967 164 S HN 0.367 nan 8.310 nan 0.000 0.556 165 R N 0.688 121.197 120.500 0.016 0.000 2.080 165 R HA 0.030 4.388 4.340 0.030 0.000 0.222 165 R C 1.600 177.920 176.300 0.033 0.000 1.107 165 R CA 1.166 57.280 56.100 0.024 0.000 0.980 165 R CB -0.159 30.154 30.300 0.023 0.000 0.879 165 R HN 0.865 nan 8.270 nan 0.000 0.439 166 E N -0.030 120.191 120.200 0.034 0.000 2.474 166 E HA 0.124 4.492 4.350 0.030 0.000 0.195 166 E C -0.248 176.399 176.600 0.077 0.000 1.039 166 E CA 0.120 56.554 56.400 0.056 0.000 0.881 166 E CB 1.119 30.853 29.700 0.057 0.000 0.970 166 E HN 0.127 nan 8.360 nan 0.000 0.486 167 A N 2.348 125.190 122.820 0.035 0.000 3.277 167 A HA 0.357 4.695 4.320 0.030 0.000 0.281 167 A C -2.364 175.220 177.584 0.000 0.000 1.179 167 A CA -0.843 51.203 52.037 0.015 0.000 0.879 167 A CB 0.935 19.862 19.000 -0.121 0.000 1.374 167 A HN -0.059 nan 8.150 nan 0.000 0.590 168 P HA 0.217 nan 4.420 nan 0.000 0.240 168 P C 0.923 178.242 177.300 0.031 0.000 1.190 168 P CA 1.543 64.660 63.100 0.029 0.000 0.781 168 P CB 0.245 31.971 31.700 0.044 0.000 0.931 169 G N 0.998 109.815 108.800 0.028 0.000 2.781 169 G HA2 -0.203 3.775 3.960 0.030 0.000 0.683 169 G HA3 -0.203 3.775 3.960 0.030 0.000 0.683 169 G C -0.057 174.856 174.900 0.020 0.000 1.390 169 G CA -0.240 44.880 45.100 0.034 0.000 0.850 169 G HN 0.161 nan 8.290 nan 0.000 0.557 170 N N -2.512 116.204 118.700 0.027 0.000 2.850 170 N HA -0.270 4.488 4.740 0.030 0.000 0.249 170 N C 1.822 177.225 175.510 -0.178 0.000 1.060 170 N CA 2.398 55.419 53.050 -0.049 0.000 0.825 170 N CB -1.700 36.690 38.487 -0.162 0.000 1.132 170 N HN 1.900 nan 8.380 nan 0.000 0.564 171 V N -2.532 117.267 119.914 -0.192 0.000 2.427 171 V HA -0.012 4.126 4.120 0.030 0.000 0.248 171 V C 2.400 178.373 176.094 -0.202 0.000 1.051 171 V CA 2.353 64.572 62.300 -0.136 0.000 1.048 171 V CB -1.054 30.734 31.823 -0.059 0.000 0.666 171 V HN 0.267 nan 8.190 nan 0.000 0.456 172 G N 0.845 109.323 108.800 -0.537 0.000 2.513 172 G HA2 -0.251 3.727 3.960 0.030 0.000 0.219 172 G HA3 -0.251 3.727 3.960 0.030 0.000 0.219 172 G C 1.586 176.445 174.900 -0.069 0.000 1.160 172 G CA 1.544 46.411 45.100 -0.388 0.000 0.767 172 G HN 0.553 nan 8.290 nan 0.000 0.571 173 L N -0.241 120.912 121.223 -0.116 0.000 2.141 173 L HA 0.051 4.409 4.340 0.030 0.000 0.209 173 L C 2.883 179.747 176.870 -0.010 0.000 1.094 173 L CA 0.320 55.037 54.840 -0.206 0.000 0.763 173 L CB -0.332 41.254 42.059 -0.790 0.000 0.908 173 L HN 0.205 nan 8.230 nan 0.000 0.437 174 L N -0.546 120.695 121.223 0.030 0.000 2.093 174 L HA -0.198 4.159 4.340 0.030 0.000 0.208 174 L C 2.223 179.216 176.870 0.206 0.000 1.085 174 L CA 0.895 55.853 54.840 0.196 0.000 0.755 174 L CB -0.622 41.534 42.059 0.161 0.000 0.904 174 L HN 0.246 nan 8.230 nan 0.000 0.435 175 D N 0.069 120.577 120.400 0.181 0.000 2.116 175 D HA -0.243 4.415 4.640 0.030 0.000 0.193 175 D C 2.261 178.719 176.300 0.264 0.000 0.998 175 D CA 1.337 55.526 54.000 0.316 0.000 0.836 175 D CB -0.267 40.728 40.800 0.324 0.000 0.951 175 D HN 0.425 nan 8.370 nan 0.000 0.449 176 Q N -0.062 119.818 119.800 0.132 0.000 2.084 176 Q HA -0.119 4.238 4.340 0.030 0.000 0.202 176 Q C 2.318 178.322 176.000 0.006 0.000 0.978 176 Q CA 0.956 56.754 55.803 -0.009 0.000 0.844 176 Q CB -0.075 28.648 28.738 -0.024 0.000 0.898 176 Q HN 0.229 nan 8.270 nan 0.000 0.426 177 R N 0.577 121.205 120.500 0.213 0.000 2.081 177 R HA -0.165 4.193 4.340 0.030 0.000 0.235 177 R C 2.162 178.540 176.300 0.130 0.000 1.131 177 R CA 0.964 57.191 56.100 0.213 0.000 0.960 177 R CB -0.186 30.328 30.300 0.356 0.000 0.856 177 R HN 0.192 nan 8.270 nan 0.000 0.436 178 L N 0.738 122.065 121.223 0.174 0.000 2.083 178 L HA -0.047 4.311 4.340 0.030 0.000 0.209 178 L C 2.275 179.210 176.870 0.108 0.000 1.083 178 L CA 1.963 56.936 54.840 0.222 0.000 0.752 178 L CB -0.565 41.721 42.059 0.378 0.000 0.899 178 L HN 0.275 nan 8.230 nan 0.000 0.433 179 A N -0.654 122.014 122.820 -0.253 0.000 1.902 179 A HA -0.170 4.168 4.320 0.030 0.000 0.217 179 A C 2.197 179.726 177.584 -0.092 0.000 1.181 179 A CA 1.899 53.611 52.037 -0.542 0.000 0.623 179 A CB -0.803 17.671 19.000 -0.878 0.000 0.818 179 A HN 0.472 nan 8.150 nan 0.000 0.443 180 L N -1.380 119.806 121.223 -0.063 0.000 2.141 180 L HA -0.200 4.158 4.340 0.030 0.000 0.209 180 L C 2.794 179.719 176.870 0.092 0.000 1.094 180 L CA 1.490 56.335 54.840 0.009 0.000 0.763 180 L CB -0.644 41.385 42.059 -0.049 0.000 0.908 180 L HN 0.475 nan 8.230 nan 0.000 0.437 181 Q N -0.723 119.148 119.800 0.118 0.000 2.079 181 Q HA -0.235 4.123 4.340 0.030 0.000 0.200 181 Q C 2.059 178.164 176.000 0.175 0.000 0.974 181 Q CA 1.828 57.712 55.803 0.135 0.000 0.840 181 Q CB -0.202 28.624 28.738 0.146 0.000 0.898 181 Q HN 0.500 nan 8.270 nan 0.000 0.430 182 W N -0.178 121.146 121.300 0.040 0.000 2.338 182 W HA -0.242 4.436 4.660 0.030 0.000 0.304 182 W C 1.761 178.308 176.519 0.047 0.000 1.212 182 W CA 1.450 58.834 57.345 0.065 0.000 1.264 182 W CB -0.233 29.272 29.460 0.074 0.000 1.142 182 W HN -0.098 nan 8.180 nan 0.000 0.512 183 V N 0.897 120.996 119.914 0.308 0.000 2.332 183 V HA -0.362 3.775 4.120 0.030 0.000 0.248 183 V C 2.563 178.667 176.094 0.017 0.000 1.055 183 V CA 2.119 64.512 62.300 0.155 0.000 1.038 183 V CB -1.057 30.882 31.823 0.194 0.000 0.651 183 V HN 0.208 nan 8.190 nan 0.000 0.450 184 Q N 0.005 119.827 119.800 0.037 0.000 2.112 184 Q HA -0.246 4.111 4.340 0.030 0.000 0.206 184 Q C 2.151 178.125 176.000 -0.043 0.000 0.987 184 Q CA 1.917 57.730 55.803 0.016 0.000 0.858 184 Q CB -0.304 28.452 28.738 0.030 0.000 0.905 184 Q HN 0.751 nan 8.270 nan 0.000 0.420 185 E N -0.604 119.534 120.200 -0.102 0.000 2.318 185 E HA 0.025 4.393 4.350 0.030 0.000 0.193 185 E C 1.272 177.720 176.600 -0.253 0.000 0.998 185 E CA 0.215 56.524 56.400 -0.150 0.000 0.859 185 E CB 0.291 29.908 29.700 -0.138 0.000 0.812 185 E HN 0.308 nan 8.360 nan 0.000 0.492 186 N N -0.025 118.430 118.700 -0.408 0.000 2.360 186 N HA 0.032 4.790 4.740 0.030 0.000 0.211 186 N C 1.486 176.885 175.510 -0.184 0.000 1.147 186 N CA 0.079 52.837 53.050 -0.487 0.000 0.866 186 N CB 0.504 38.260 38.487 -1.219 0.000 1.206 186 N HN 0.034 nan 8.380 nan 0.000 0.478 187 I N 2.531 123.026 120.570 -0.126 0.000 2.454 187 I HA -0.118 4.070 4.170 0.030 0.000 0.254 187 I C 2.186 178.398 176.117 0.160 0.000 1.156 187 I CA 0.537 61.872 61.300 0.059 0.000 1.433 187 I CB -0.318 37.704 38.000 0.038 0.000 1.082 187 I HN 0.055 nan 8.210 nan 0.000 0.432 188 A N 0.566 123.422 122.820 0.060 0.000 1.892 188 A HA -0.260 4.077 4.320 0.030 0.000 0.218 188 A C 2.511 180.112 177.584 0.029 0.000 1.188 188 A CA 2.088 54.148 52.037 0.037 0.000 0.631 188 A CB -1.398 17.597 19.000 -0.007 0.000 0.822 188 A HN 0.499 nan 8.150 nan 0.000 0.447 189 A N -2.049 120.760 122.820 -0.017 0.000 2.139 189 A HA -0.035 4.303 4.320 0.030 0.000 0.221 189 A C 1.636 179.035 177.584 -0.309 0.000 1.159 189 A CA 1.639 53.570 52.037 -0.177 0.000 0.662 189 A CB -0.691 18.137 19.000 -0.285 0.000 0.796 189 A HN 0.541 nan 8.150 nan 0.000 0.463 190 F N -2.321 117.566 119.950 -0.105 0.000 2.704 190 F HA 0.395 4.940 4.527 0.030 0.000 0.304 190 F C 1.861 177.655 175.800 -0.010 0.000 1.094 190 F CA 0.600 58.545 58.000 -0.092 0.000 1.275 190 F CB 0.539 39.479 39.000 -0.100 0.000 1.073 190 F HN 0.337 nan 8.300 nan 0.000 0.586 191 G N -0.002 108.889 108.800 0.151 0.000 2.201 191 G HA2 -0.176 3.801 3.960 0.030 0.000 0.212 191 G HA3 -0.176 3.801 3.960 0.030 0.000 0.212 191 G C 0.774 175.737 174.900 0.106 0.000 0.994 191 G CA -0.369 44.794 45.100 0.105 0.000 0.644 191 G HN 0.667 nan 8.290 nan 0.000 0.508 192 G N 0.074 108.956 108.800 0.136 0.000 2.491 192 G HA2 0.414 4.391 3.960 0.030 0.000 0.242 192 G HA3 0.414 4.391 3.960 0.030 0.000 0.242 192 G C -0.432 174.510 174.900 0.071 0.000 1.266 192 G CA 0.643 45.806 45.100 0.106 0.000 0.844 192 G HN 0.331 nan 8.290 nan 0.000 0.571 193 D N 1.818 122.250 120.400 0.054 0.000 2.396 193 D HA 0.271 4.929 4.640 0.030 0.000 0.225 193 D C -0.941 175.385 176.300 0.044 0.000 1.121 193 D CA -2.426 51.591 54.000 0.029 0.000 0.853 193 D CB 1.691 42.491 40.800 -0.001 0.000 1.043 193 D HN 0.058 nan 8.370 nan 0.000 0.500 194 P HA -0.121 nan 4.420 nan 0.000 0.225 194 P C 1.136 178.530 177.300 0.157 0.000 1.148 194 P CA 0.846 64.001 63.100 0.091 0.000 0.779 194 P CB 0.175 31.911 31.700 0.060 0.000 0.780 195 M N -1.344 118.281 119.600 0.042 0.000 2.494 195 M HA 0.090 4.588 4.480 0.030 0.000 0.232 195 M C 0.636 176.580 176.300 -0.594 0.000 1.137 195 M CA 0.429 55.662 55.300 -0.112 0.000 1.012 195 M CB 0.132 32.669 32.600 -0.105 0.000 1.567 195 M HN -0.202 nan 8.290 nan 0.000 0.486 196 S N 0.874 116.423 115.700 -0.251 0.000 2.204 196 S HA 0.367 4.854 4.470 0.030 0.000 0.147 196 S C -0.833 173.816 174.600 0.082 0.000 1.711 196 S CA -0.452 57.621 58.200 -0.211 0.000 1.274 196 S CB 0.378 63.496 63.200 -0.136 0.000 1.257 196 S HN 0.005 nan 8.310 nan 0.000 0.404 197 V N 3.389 123.544 119.914 0.402 0.000 2.394 197 V HA 0.566 4.704 4.120 0.030 0.000 0.282 197 V C 0.019 176.304 176.094 0.319 0.000 1.031 197 V CA -0.270 62.231 62.300 0.334 0.000 0.881 197 V CB 1.850 33.861 31.823 0.315 0.000 0.982 197 V HN 0.690 nan 8.190 nan 0.000 0.451 198 T N 6.393 121.087 114.554 0.233 0.000 2.809 198 T HA 0.593 4.961 4.350 0.030 0.000 0.284 198 T C -0.405 174.462 174.700 0.278 0.000 0.992 198 T CA -0.434 61.809 62.100 0.238 0.000 0.957 198 T CB 1.040 69.997 68.868 0.148 0.000 0.942 198 T HN 0.324 nan 8.240 nan 0.000 0.439 199 L N 4.575 125.938 121.223 0.234 0.000 2.312 199 L HA 0.707 5.065 4.340 0.030 0.000 0.281 199 L C -0.463 176.613 176.870 0.342 0.000 1.070 199 L CA -0.874 54.053 54.840 0.146 0.000 0.805 199 L CB 0.406 42.332 42.059 -0.222 0.000 1.174 199 L HN 0.661 nan 8.230 nan 0.000 0.434 200 F N 0.668 120.684 119.950 0.109 0.000 2.588 200 F HA 0.970 5.515 4.527 0.029 0.000 0.310 200 F C -0.276 175.520 175.800 -0.007 0.000 1.082 200 F CA -1.295 56.814 58.000 0.182 0.000 0.929 200 F CB 1.669 40.917 39.000 0.413 0.000 1.254 200 F HN 0.459 nan 8.300 nan 0.000 0.455 201 G N 1.200 109.835 108.800 -0.275 0.000 2.623 201 G HA2 0.507 4.485 3.960 0.030 0.000 0.290 201 G HA3 0.507 4.485 3.960 0.030 0.000 0.290 201 G C -2.414 172.244 174.900 -0.403 0.000 1.437 201 G CA -0.728 43.820 45.100 -0.919 0.000 0.798 201 G HN 0.870 nan 8.290 nan 0.000 0.488 205 G N 0.496 109.083 108.800 -0.356 0.000 2.408 205 G HA2 0.170 4.148 3.960 0.030 0.000 0.217 205 G HA3 0.170 4.148 3.960 0.030 0.000 0.217 205 G C 1.616 176.330 174.900 -0.310 0.000 1.150 205 G CA 1.628 46.468 45.100 -0.435 0.000 0.776 205 G HN 1.152 nan 8.290 nan 0.000 0.542 206 A N 1.307 124.019 122.820 -0.179 0.000 1.873 206 A HA 0.312 4.650 4.320 0.030 0.000 0.215 206 A C 2.826 180.395 177.584 -0.026 0.000 1.186 206 A CA 2.159 54.156 52.037 -0.067 0.000 0.616 206 A CB -0.875 18.140 19.000 0.026 0.000 0.823 206 A HN 0.765 nan 8.150 nan 0.000 0.442 207 A N -0.377 122.458 122.820 0.026 0.000 1.940 207 A HA -0.094 4.244 4.320 0.030 0.000 0.219 207 A C 2.433 180.036 177.584 0.032 0.000 1.176 207 A CA 2.181 54.230 52.037 0.020 0.000 0.631 207 A CB -0.847 18.184 19.000 0.051 0.000 0.814 207 A HN 0.466 nan 8.150 nan 0.000 0.446 208 S N -0.406 115.311 115.700 0.027 0.000 2.344 208 S HA -0.151 4.337 4.470 0.030 0.000 0.217 208 S C 1.912 176.536 174.600 0.041 0.000 1.033 208 S CA 1.386 59.587 58.200 0.003 0.000 1.017 208 S CB -0.770 62.356 63.200 -0.122 0.000 0.941 208 S HN 0.340 nan 8.310 nan 0.000 0.430 209 V N 1.932 121.838 119.914 -0.014 0.000 2.277 209 V HA -0.307 3.831 4.120 0.030 0.000 0.255 209 V C 2.580 178.679 176.094 0.008 0.000 1.074 209 V CA 2.201 64.475 62.300 -0.042 0.000 1.058 209 V CB -1.600 30.162 31.823 -0.102 0.000 0.656 209 V HN 0.640 nan 8.190 nan 0.000 0.449 210 G N -1.459 107.342 108.800 0.002 0.000 2.418 210 G HA2 -0.287 3.691 3.960 0.030 0.000 0.217 210 G HA3 -0.287 3.691 3.960 0.030 0.000 0.217 210 G C 1.581 176.507 174.900 0.043 0.000 1.158 210 G CA 1.157 46.263 45.100 0.009 0.000 0.771 210 G HN 0.478 nan 8.290 nan 0.000 0.545 211 M N -0.136 119.474 119.600 0.016 0.000 2.296 211 M HA 0.032 4.530 4.480 0.030 0.000 0.265 211 M C 2.229 178.589 176.300 0.099 0.000 1.064 211 M CA 0.766 56.091 55.300 0.042 0.000 1.109 211 M CB -0.179 32.397 32.600 -0.040 0.000 1.396 211 M HN 0.236 nan 8.290 nan 0.000 0.430 212 H N -0.148 119.016 119.070 0.156 0.000 2.428 212 H HA 0.004 4.577 4.556 0.030 0.000 0.296 212 H C 2.084 177.599 175.328 0.311 0.000 1.062 212 H CA 1.364 57.506 56.048 0.157 0.000 1.350 212 H CB -0.136 29.549 29.762 -0.129 0.000 1.403 212 H HN 0.427 nan 8.280 nan 0.000 0.533 213 I N 0.756 121.566 120.570 0.400 0.000 2.315 213 I HA -0.222 3.965 4.170 0.030 0.000 0.248 213 I C 1.911 178.226 176.117 0.329 0.000 1.117 213 I CA 1.030 62.598 61.300 0.447 0.000 1.404 213 I CB -0.128 38.045 38.000 0.288 0.000 1.071 213 I HN 0.121 nan 8.210 nan 0.000 0.419 214 L N -0.579 120.782 121.223 0.230 0.000 2.591 214 L HA 0.090 4.448 4.340 0.030 0.000 0.228 214 L C 0.959 177.880 176.870 0.085 0.000 1.133 214 L CA 0.097 55.046 54.840 0.181 0.000 0.880 214 L CB -0.026 42.119 42.059 0.143 0.000 1.033 214 L HN 0.049 nan 8.230 nan 0.000 0.450 215 S N -0.208 115.513 115.700 0.035 0.000 2.594 215 S HA 0.249 4.737 4.470 0.030 0.000 0.322 215 S C 0.714 175.243 174.600 -0.119 0.000 1.085 215 S CA -0.615 57.489 58.200 -0.161 0.000 1.116 215 S CB 1.269 64.104 63.200 -0.608 0.000 0.979 215 S HN 0.176 nan 8.310 nan 0.000 0.465 216 L N 7.074 128.239 121.223 -0.096 0.000 2.010 216 L HA -0.030 4.328 4.340 0.030 0.000 0.219 216 L C -0.978 175.850 176.870 -0.070 0.000 1.077 216 L CA 2.311 57.110 54.840 -0.069 0.000 0.773 216 L CB -0.873 41.144 42.059 -0.070 0.000 0.892 216 L HN 0.507 nan 8.230 nan 0.000 0.436 217 P HA -0.148 nan 4.420 nan 0.000 0.217 217 P C 1.730 179.024 177.300 -0.010 0.000 1.148 217 P CA 1.662 64.718 63.100 -0.074 0.000 0.828 217 P CB -0.022 31.607 31.700 -0.118 0.000 0.783 218 S N -1.152 114.563 115.700 0.024 0.000 2.428 218 S HA -0.053 4.435 4.470 0.030 0.000 0.230 218 S C 1.864 176.631 174.600 0.278 0.000 1.014 218 S CA 0.640 58.981 58.200 0.235 0.000 0.957 218 S CB -0.461 63.013 63.200 0.457 0.000 0.784 218 S HN 0.084 nan 8.310 nan 0.000 0.499 219 R N 1.770 122.329 120.500 0.098 0.000 2.193 219 R HA -0.006 4.351 4.340 0.030 0.000 0.229 219 R C 2.019 178.121 176.300 -0.331 0.000 1.110 219 R CA 1.187 57.184 56.100 -0.171 0.000 0.988 219 R CB -0.843 29.378 30.300 -0.131 0.000 0.871 219 R HN 0.538 nan 8.270 nan 0.000 0.458 220 S N -0.396 115.209 115.700 -0.159 0.000 2.660 220 S HA 0.151 4.638 4.470 0.030 0.000 0.227 220 S C 1.417 175.933 174.600 -0.140 0.000 0.948 220 S CA -0.164 57.935 58.200 -0.169 0.000 0.948 220 S CB -0.113 63.035 63.200 -0.086 0.000 0.779 220 S HN 0.197 nan 8.310 nan 0.000 0.487 221 L N 0.329 121.509 121.223 -0.071 0.000 2.766 221 L HA 0.506 4.863 4.340 0.030 0.000 0.242 221 L C -0.084 176.845 176.870 0.098 0.000 1.136 221 L CA -0.299 54.571 54.840 0.050 0.000 0.933 221 L CB 0.075 42.218 42.059 0.140 0.000 1.241 221 L HN 0.547 nan 8.230 nan 0.000 0.522 222 F N -3.989 115.779 119.950 -0.303 0.000 2.741 222 F HA 0.474 5.019 4.527 0.030 0.000 0.313 222 F C 0.326 175.828 175.800 -0.495 0.000 1.153 222 F CA -0.984 56.833 58.000 -0.306 0.000 0.931 222 F CB 0.827 39.773 39.000 -0.089 0.000 1.335 222 F HN -0.151 nan 8.300 nan 0.000 0.460 223 H N -0.605 118.485 119.070 0.033 0.000 3.091 223 H HA 0.448 5.022 4.556 0.030 0.000 0.249 223 H C -0.094 175.232 175.328 -0.003 0.000 0.985 223 H CA -0.021 55.974 56.048 -0.090 0.000 1.177 223 H CB 1.055 30.783 29.762 -0.056 0.000 1.456 223 H HN 0.441 nan 8.280 nan 0.000 0.467 224 R N 0.147 120.815 120.500 0.280 0.000 2.817 224 R HA 0.738 5.095 4.340 0.030 0.000 0.268 224 R C -1.394 175.170 176.300 0.440 0.000 1.027 224 R CA -0.694 55.554 56.100 0.247 0.000 0.928 224 R CB 2.849 33.091 30.300 -0.096 0.000 1.228 224 R HN 0.137 nan 8.270 nan 0.000 0.469 225 A N 0.796 123.896 122.820 0.467 0.000 2.549 225 A HA 0.672 5.010 4.320 0.030 0.000 0.297 225 A C -1.541 176.212 177.584 0.282 0.000 1.061 225 A CA -0.597 51.649 52.037 0.349 0.000 0.690 225 A CB 1.880 21.041 19.000 0.269 0.000 1.287 225 A HN 0.290 nan 8.150 nan 0.000 0.402 226 V N 1.685 121.723 119.914 0.206 0.000 2.588 226 V HA 0.555 4.693 4.120 0.030 0.000 0.304 226 V C -1.126 175.056 176.094 0.146 0.000 1.042 226 V CA -0.349 62.013 62.300 0.102 0.000 0.877 226 V CB 1.432 33.354 31.823 0.165 0.000 0.996 226 V HN 0.690 nan 8.190 nan 0.000 0.425 227 L N 4.945 126.227 121.223 0.098 0.000 2.353 227 L HA 0.494 4.851 4.340 0.030 0.000 0.270 227 L C -0.009 176.954 176.870 0.154 0.000 1.003 227 L CA 0.067 54.959 54.840 0.087 0.000 0.862 227 L CB 1.481 43.551 42.059 0.019 0.000 1.221 227 L HN 0.638 nan 8.230 nan 0.000 0.430 228 Q N 1.769 121.710 119.800 0.236 0.000 2.303 228 Q HA 0.401 4.759 4.340 0.030 0.000 0.257 228 Q C 0.459 176.566 176.000 0.178 0.000 0.941 228 Q CA -0.506 55.492 55.803 0.326 0.000 0.931 228 Q CB 1.244 30.263 28.738 0.469 0.000 1.215 228 Q HN 0.585 nan 8.270 nan 0.000 0.437 229 S N 0.871 116.658 115.700 0.144 0.000 3.533 229 S HA -0.191 4.297 4.470 0.030 0.000 0.347 229 S C 0.075 174.812 174.600 0.229 0.000 1.101 229 S CA 0.682 58.969 58.200 0.144 0.000 1.009 229 S CB -1.065 62.167 63.200 0.054 0.000 0.916 229 S HN 0.970 nan 8.310 nan 0.000 0.496 230 G N -0.650 108.271 108.800 0.201 0.000 2.632 230 G HA2 0.674 4.652 3.960 0.030 0.000 0.292 230 G HA3 0.674 4.652 3.960 0.030 0.000 0.292 230 G C -0.911 174.083 174.900 0.155 0.000 1.465 230 G CA 0.190 45.479 45.100 0.314 0.000 0.824 230 G HN 0.829 nan 8.290 nan 0.000 0.509 231 T N -1.789 112.820 114.554 0.091 0.000 2.868 231 T HA 0.738 5.105 4.350 0.030 0.000 0.306 231 T C -2.484 172.088 174.700 -0.212 0.000 1.224 231 T CA -1.422 60.637 62.100 -0.069 0.000 1.012 231 T CB 2.914 71.729 68.868 -0.089 0.000 1.221 231 T HN 0.255 nan 8.240 nan 0.000 0.499 232 P HA 0.056 nan 4.420 nan 0.000 0.227 232 P C 0.345 177.492 177.300 -0.256 0.000 1.161 232 P CA 0.448 63.426 63.100 -0.204 0.000 0.788 232 P CB -0.026 31.612 31.700 -0.103 0.000 0.822 233 N N 0.586 119.157 118.700 -0.214 0.000 2.322 233 N HA 0.278 5.036 4.740 0.030 0.000 0.270 233 N C 0.757 176.077 175.510 -0.317 0.000 1.286 233 N CA 0.567 53.491 53.050 -0.209 0.000 0.948 233 N CB -0.236 38.175 38.487 -0.126 0.000 1.164 233 N HN 0.167 nan 8.380 nan 0.000 0.551 234 G N -1.101 107.545 108.800 -0.256 0.000 2.712 234 G HA2 -0.148 3.830 3.960 0.030 0.000 0.683 234 G HA3 -0.148 3.830 3.960 0.030 0.000 0.683 234 G C -1.878 172.824 174.900 -0.331 0.000 1.320 234 G CA -0.212 44.708 45.100 -0.300 0.000 0.847 234 G HN 0.520 nan 8.290 nan 0.000 0.553 235 P HA -0.045 nan 4.420 nan 0.000 0.219 235 P C 1.623 178.888 177.300 -0.059 0.000 1.146 235 P CA 2.642 65.647 63.100 -0.157 0.000 0.808 235 P CB -0.102 31.465 31.700 -0.222 0.000 0.779 236 W N -1.366 119.886 121.300 -0.081 0.000 2.901 236 W HA 0.538 5.216 4.660 0.029 0.000 0.281 236 W C 1.484 178.090 176.519 0.145 0.000 1.167 236 W CA 0.440 57.807 57.345 0.037 0.000 1.506 236 W CB -0.949 28.636 29.460 0.209 0.000 0.985 236 W HN -0.162 nan 8.180 nan 0.000 0.590 237 A N 1.973 124.414 122.820 -0.632 0.000 2.015 237 A HA 0.029 4.366 4.320 0.030 0.000 0.219 237 A C 1.323 178.733 177.584 -0.290 0.000 1.163 237 A CA 2.105 53.816 52.037 -0.544 0.000 0.646 237 A CB -0.967 17.520 19.000 -0.856 0.000 0.806 237 A HN 0.299 nan 8.150 nan 0.000 0.448 238 T N -3.627 110.780 114.554 -0.244 0.000 2.864 238 T HA 0.642 5.010 4.350 0.030 0.000 0.289 238 T C -0.642 173.975 174.700 -0.138 0.000 1.082 238 T CA -0.139 61.836 62.100 -0.208 0.000 1.009 238 T CB 1.504 70.262 68.868 -0.185 0.000 1.234 238 T HN 0.871 nan 8.240 nan 0.000 0.526 239 V N -1.358 118.483 119.914 -0.121 0.000 3.049 239 V HA 0.835 4.973 4.120 0.030 0.000 0.309 239 V C 0.140 176.192 176.094 -0.071 0.000 1.148 239 V CA -1.086 61.161 62.300 -0.089 0.000 0.990 239 V CB 1.355 33.127 31.823 -0.086 0.000 1.039 239 V HN 1.326 nan 8.190 nan 0.000 0.430 240 S N 1.781 117.446 115.700 -0.058 0.000 2.585 240 S HA 0.575 5.063 4.470 0.030 0.000 0.273 240 S C 1.426 176.005 174.600 -0.035 0.000 1.339 240 S CA 0.088 58.262 58.200 -0.043 0.000 1.028 240 S CB 1.270 64.447 63.200 -0.039 0.000 0.906 240 S HN 1.940 nan 8.310 nan 0.000 0.528 241 A N 3.488 126.293 122.820 -0.025 0.000 1.859 241 A HA -0.023 4.315 4.320 0.030 0.000 0.218 241 A C 2.337 179.909 177.584 -0.019 0.000 1.209 241 A CA 2.225 54.252 52.037 -0.017 0.000 0.639 241 A CB -2.052 16.942 19.000 -0.010 0.000 0.835 241 A HN 1.301 nan 8.150 nan 0.000 0.450 242 G N -0.476 108.311 108.800 -0.021 0.000 2.574 242 G HA2 -0.383 3.595 3.960 0.030 0.000 0.220 242 G HA3 -0.383 3.595 3.960 0.030 0.000 0.220 242 G C 1.468 176.351 174.900 -0.029 0.000 1.173 242 G CA 1.814 46.900 45.100 -0.023 0.000 0.772 242 G HN 0.658 nan 8.290 nan 0.000 0.585 243 E N 0.960 121.138 120.200 -0.037 0.000 2.150 243 E HA 0.126 4.494 4.350 0.030 0.000 0.193 243 E C 2.601 179.167 176.600 -0.057 0.000 0.985 243 E CA 1.474 57.844 56.400 -0.049 0.000 0.814 243 E CB -0.576 29.089 29.700 -0.058 0.000 0.752 243 E HN 0.330 nan 8.360 nan 0.000 0.466 244 A N 0.923 123.716 122.820 -0.044 0.000 1.898 244 A HA -0.122 4.216 4.320 0.030 0.000 0.216 244 A C 2.293 179.876 177.584 -0.001 0.000 1.181 244 A CA 1.549 53.571 52.037 -0.026 0.000 0.620 244 A CB -0.615 18.386 19.000 0.002 0.000 0.819 244 A HN 0.286 nan 8.150 nan 0.000 0.442 245 R N -0.355 120.139 120.500 -0.010 0.000 2.091 245 R HA -0.176 4.182 4.340 0.030 0.000 0.238 245 R C 2.427 178.720 176.300 -0.013 0.000 1.136 245 R CA 1.793 57.886 56.100 -0.011 0.000 0.959 245 R CB -0.338 29.952 30.300 -0.016 0.000 0.856 245 R HN 0.528 nan 8.270 nan 0.000 0.437 246 R N 0.422 120.908 120.500 -0.023 0.000 2.070 246 R HA -0.130 4.228 4.340 0.030 0.000 0.233 246 R C 2.281 178.566 176.300 -0.027 0.000 1.137 246 R CA 1.886 57.969 56.100 -0.027 0.000 0.945 246 R CB -0.153 30.125 30.300 -0.036 0.000 0.845 246 R HN 0.296 nan 8.270 nan 0.000 0.430 247 R N -0.116 120.354 120.500 -0.049 0.000 2.096 247 R HA -0.095 4.263 4.340 0.030 0.000 0.235 247 R C 2.325 178.665 176.300 0.068 0.000 1.127 247 R CA 1.272 57.322 56.100 -0.084 0.000 0.968 247 R CB -0.373 29.762 30.300 -0.276 0.000 0.861 247 R HN 0.274 nan 8.270 nan 0.000 0.440 248 A N 0.744 123.640 122.820 0.126 0.000 1.877 248 A HA -0.147 4.191 4.320 0.030 0.000 0.216 248 A C 2.245 179.852 177.584 0.038 0.000 1.186 248 A CA 1.904 54.020 52.037 0.131 0.000 0.620 248 A CB -0.881 18.132 19.000 0.023 0.000 0.822 248 A HN 0.243 nan 8.150 nan 0.000 0.443 249 T N 0.140 114.699 114.554 0.009 0.000 2.684 249 T HA -0.161 4.207 4.350 0.030 0.000 0.267 249 T C 1.811 176.511 174.700 0.000 0.000 1.036 249 T CA 1.671 63.767 62.100 -0.008 0.000 1.148 249 T CB -0.390 68.470 68.868 -0.013 0.000 0.863 249 T HN 0.360 nan 8.240 nan 0.000 0.436 250 L N 0.686 121.914 121.223 0.008 0.000 2.275 250 L HA 0.170 4.528 4.340 0.030 0.000 0.215 250 L C 1.992 178.876 176.870 0.023 0.000 1.119 250 L CA 1.264 56.108 54.840 0.007 0.000 0.790 250 L CB -0.609 41.450 42.059 -0.000 0.000 0.919 250 L HN 0.183 nan 8.230 nan 0.000 0.443 251 L N -0.568 120.695 121.223 0.066 0.000 2.095 251 L HA 0.074 4.432 4.340 0.030 0.000 0.204 251 L C 2.520 179.403 176.870 0.023 0.000 1.080 251 L CA 1.597 56.489 54.840 0.086 0.000 0.759 251 L CB -0.683 41.489 42.059 0.189 0.000 0.914 251 L HN 0.248 nan 8.230 nan 0.000 0.439 252 A N -0.149 122.671 122.820 0.001 0.000 1.859 252 A HA -0.300 4.038 4.320 0.030 0.000 0.217 252 A C 2.505 180.080 177.584 -0.014 0.000 1.198 252 A CA 2.122 54.150 52.037 -0.014 0.000 0.629 252 A CB -0.824 18.160 19.000 -0.027 0.000 0.830 252 A HN 0.461 nan 8.150 nan 0.000 0.446 253 R N -0.756 119.733 120.500 -0.018 0.000 2.103 253 R HA -0.123 4.235 4.340 0.030 0.000 0.242 253 R C 2.067 178.337 176.300 -0.050 0.000 1.142 253 R CA 1.668 57.752 56.100 -0.026 0.000 0.960 253 R CB -0.445 29.841 30.300 -0.023 0.000 0.858 253 R HN 0.573 nan 8.270 nan 0.000 0.439 254 L N 0.573 121.750 121.223 -0.078 0.000 2.353 254 L HA -0.111 4.247 4.340 0.030 0.000 0.220 254 L C 1.713 178.440 176.870 -0.238 0.000 1.133 254 L CA 0.842 55.562 54.840 -0.201 0.000 0.798 254 L CB 0.197 42.099 42.059 -0.261 0.000 0.922 254 L HN 0.214 nan 8.230 nan 0.000 0.445 255 V N -5.111 114.762 119.914 -0.068 0.000 3.528 255 V HA 0.525 4.663 4.120 0.030 0.000 0.294 255 V C 0.967 177.080 176.094 0.030 0.000 1.404 255 V CA 0.283 62.600 62.300 0.029 0.000 1.065 255 V CB 0.229 32.120 31.823 0.112 0.000 0.904 255 V HN 0.330 nan 8.190 nan 0.000 0.435 256 G N -0.303 108.500 108.800 0.005 0.000 2.173 256 G HA2 -0.157 3.821 3.960 0.030 0.000 0.174 256 G HA3 -0.157 3.821 3.960 0.030 0.000 0.174 256 G C -0.130 174.776 174.900 0.011 0.000 1.025 256 G CA -0.150 44.956 45.100 0.011 0.000 0.706 256 G HN 0.706 nan 8.290 nan 0.000 0.499 266 D N 0.904 121.298 120.400 -0.010 0.000 2.084 266 D HA -0.105 4.553 4.640 0.030 0.000 0.194 266 D C 1.495 177.788 176.300 -0.011 0.000 0.990 266 D CA 1.813 55.803 54.000 -0.016 0.000 0.826 266 D CB -0.127 40.663 40.800 -0.016 0.000 0.971 266 D HN 0.555 nan 8.370 nan 0.000 0.453 267 T N 1.413 115.966 114.554 -0.001 0.000 2.620 267 T HA -0.216 4.152 4.350 0.030 0.000 0.267 267 T C 1.782 176.488 174.700 0.010 0.000 1.044 267 T CA 1.642 63.747 62.100 0.008 0.000 1.161 267 T CB -0.354 68.520 68.868 0.010 0.000 0.862 267 T HN 0.337 nan 8.240 nan 0.000 0.438 268 E N 0.496 120.700 120.200 0.006 0.000 2.051 268 E HA -0.062 4.306 4.350 0.030 0.000 0.192 268 E C 2.289 178.893 176.600 0.006 0.000 0.991 268 E CA 0.847 57.252 56.400 0.007 0.000 0.799 268 E CB -0.329 29.374 29.700 0.004 0.000 0.748 268 E HN 0.347 nan 8.360 nan 0.000 0.449 269 L N 0.865 122.085 121.223 -0.005 0.000 2.083 269 L HA -0.198 4.160 4.340 0.030 0.000 0.209 269 L C 2.148 179.008 176.870 -0.017 0.000 1.083 269 L CA 1.163 55.993 54.840 -0.015 0.000 0.752 269 L CB -0.028 42.012 42.059 -0.031 0.000 0.899 269 L HN 0.111 nan 8.230 nan 0.000 0.433 270 I N -0.790 119.772 120.570 -0.014 0.000 2.235 270 I HA -0.197 3.991 4.170 0.030 0.000 0.241 270 I C 2.729 178.894 176.117 0.080 0.000 1.085 270 I CA 0.981 62.287 61.300 0.010 0.000 1.378 270 I CB -0.690 37.315 38.000 0.008 0.000 1.076 270 I HN 0.234 nan 8.210 nan 0.000 0.415 271 A N 0.072 122.928 122.820 0.059 0.000 1.940 271 A HA -0.376 3.962 4.320 0.030 0.000 0.221 271 A C 2.540 180.158 177.584 0.058 0.000 1.190 271 A CA 2.426 54.497 52.037 0.058 0.000 0.647 271 A CB -1.604 17.418 19.000 0.037 0.000 0.821 271 A HN 0.669 nan 8.150 nan 0.000 0.457 272 c N -0.789 117.839 118.600 0.046 0.000 2.413 272 c HA -0.078 4.510 4.570 0.030 0.000 0.277 272 c C 2.624 176.753 174.090 0.066 0.000 1.228 272 c CA 1.284 57.640 56.329 0.044 0.000 1.731 272 c CB -1.639 40.889 42.510 0.029 0.000 2.042 272 c HN 0.608 nan 8.230 nan 0.000 0.468 273 L N 0.622 121.899 121.223 0.089 0.000 2.043 273 L HA -0.190 4.168 4.340 0.030 0.000 0.212 273 L C 3.040 180.020 176.870 0.183 0.000 1.075 273 L CA 1.930 56.858 54.840 0.147 0.000 0.752 273 L CB -0.669 41.495 42.059 0.175 0.000 0.891 273 L HN 0.375 nan 8.230 nan 0.000 0.432 274 R N -0.520 120.094 120.500 0.189 0.000 2.127 274 R HA -0.172 4.186 4.340 0.030 0.000 0.238 274 R C 2.324 178.644 176.300 0.033 0.000 1.134 274 R CA 1.905 58.055 56.100 0.083 0.000 0.975 274 R CB -0.882 29.460 30.300 0.069 0.000 0.865 274 R HN 0.576 nan 8.270 nan 0.000 0.447 275 T N -0.838 113.742 114.554 0.043 0.000 2.929 275 T HA -0.068 4.300 4.350 0.030 0.000 0.271 275 T C 1.049 175.764 174.700 0.025 0.000 1.085 275 T CA 0.587 62.703 62.100 0.027 0.000 1.125 275 T CB -0.020 68.865 68.868 0.030 0.000 0.874 275 T HN -0.097 nan 8.240 nan 0.000 0.494 276 R N 2.731 123.255 120.500 0.040 0.000 2.389 276 R HA 0.422 4.780 4.340 0.030 0.000 0.295 276 R C -2.552 173.762 176.300 0.024 0.000 1.075 276 R CA -2.941 53.184 56.100 0.042 0.000 1.005 276 R CB -0.079 30.261 30.300 0.066 0.000 0.987 276 R HN 0.276 nan 8.270 nan 0.000 0.452 277 P HA -0.092 nan 4.420 nan 0.000 0.266 277 P C 0.243 177.531 177.300 -0.020 0.000 1.186 277 P CA 0.387 63.473 63.100 -0.023 0.000 0.767 277 P CB 0.557 32.253 31.700 -0.007 0.000 0.820 278 A N 2.664 125.401 122.820 -0.137 0.000 1.908 278 A HA -0.263 4.075 4.320 0.030 0.000 0.218 278 A C 2.120 179.727 177.584 0.039 0.000 1.181 278 A CA 1.921 53.884 52.037 -0.124 0.000 0.627 278 A CB -1.202 17.237 19.000 -0.936 0.000 0.818 278 A HN 0.548 nan 8.150 nan 0.000 0.445 279 Q N 0.128 119.909 119.800 -0.032 0.000 2.291 279 Q HA -0.148 4.210 4.340 0.030 0.000 0.205 279 Q C 1.135 177.237 176.000 0.169 0.000 0.970 279 Q CA 1.820 57.760 55.803 0.228 0.000 0.876 279 Q CB -0.385 28.485 28.738 0.220 0.000 0.935 279 Q HN 0.621 nan 8.270 nan 0.000 0.455 280 D N -0.739 119.725 120.400 0.107 0.000 2.144 280 D HA -0.130 4.527 4.640 0.030 0.000 0.199 280 D C 1.381 177.745 176.300 0.107 0.000 0.984 280 D CA 0.761 54.820 54.000 0.097 0.000 0.834 280 D CB 0.018 40.878 40.800 0.100 0.000 0.955 280 D HN 0.238 nan 8.370 nan 0.000 0.465 281 L N 0.195 121.478 121.223 0.100 0.000 2.141 281 L HA -0.079 4.279 4.340 0.030 0.000 0.209 281 L C 2.378 179.272 176.870 0.040 0.000 1.094 281 L CA 0.811 55.670 54.840 0.031 0.000 0.763 281 L CB -0.748 41.224 42.059 -0.144 0.000 0.908 281 L HN -0.040 nan 8.230 nan 0.000 0.437 282 V N -0.671 119.334 119.914 0.152 0.000 2.548 282 V HA -0.194 3.944 4.120 0.030 0.000 0.249 282 V C 2.035 178.200 176.094 0.119 0.000 1.055 282 V CA 1.157 63.583 62.300 0.209 0.000 1.065 282 V CB -0.509 31.569 31.823 0.424 0.000 0.681 282 V HN 0.357 nan 8.190 nan 0.000 0.462 283 D N -0.418 119.991 120.400 0.016 0.000 2.182 283 D HA -0.146 4.512 4.640 0.030 0.000 0.201 283 D C 1.664 177.697 176.300 -0.446 0.000 0.986 283 D CA 1.350 55.232 54.000 -0.196 0.000 0.847 283 D CB -0.151 40.439 40.800 -0.351 0.000 0.942 283 D HN 0.529 nan 8.370 nan 0.000 0.467 284 H N -0.573 118.484 119.070 -0.022 0.000 2.784 284 H HA 0.222 4.796 4.556 0.030 0.000 0.273 284 H C 1.304 176.581 175.328 -0.086 0.000 1.112 284 H CA -0.136 55.866 56.048 -0.077 0.000 1.162 284 H CB 0.543 30.363 29.762 0.097 0.000 1.586 284 H HN 0.254 nan 8.280 nan 0.000 0.548 285 E N 0.364 120.519 120.200 -0.075 0.000 2.085 285 E HA -0.185 4.183 4.350 0.030 0.000 0.194 285 E C 0.407 176.767 176.600 -0.400 0.000 0.994 285 E CA 1.176 57.447 56.400 -0.214 0.000 0.801 285 E CB 0.075 29.473 29.700 -0.502 0.000 0.743 285 E HN 0.476 nan 8.360 nan 0.000 0.453 286 W N -0.509 120.689 121.300 -0.170 0.000 3.305 286 W HA 0.166 4.844 4.660 0.030 0.000 0.392 286 W C 0.579 177.099 176.519 0.002 0.000 1.121 286 W CA -0.186 57.059 57.345 -0.168 0.000 1.909 286 W CB 0.199 29.492 29.460 -0.278 0.000 1.065 286 W HN 0.140 nan 8.180 nan 0.000 0.714 287 H N -1.638 117.547 119.070 0.192 0.000 2.916 287 H HA 0.156 4.729 4.556 0.029 0.000 0.262 287 H C 1.424 176.796 175.328 0.074 0.000 1.178 287 H CA -0.185 55.955 56.048 0.154 0.000 1.090 287 H CB 0.700 30.591 29.762 0.215 0.000 1.657 287 H HN -0.017 nan 8.280 nan 0.000 0.601 288 V N 0.651 120.635 119.914 0.116 0.000 3.307 288 V HA 0.056 4.193 4.120 0.030 0.000 0.253 288 V C 0.662 176.730 176.094 -0.042 0.000 1.149 288 V CA 0.813 63.112 62.300 -0.000 0.000 1.112 288 V CB 0.483 32.236 31.823 -0.116 0.000 0.777 288 V HN 0.334 nan 8.190 nan 0.000 0.464 289 L N 1.839 123.053 121.223 -0.015 0.000 2.426 289 L HA 0.287 4.645 4.340 0.030 0.000 0.255 289 L C -1.683 175.214 176.870 0.046 0.000 1.080 289 L CA -1.155 53.680 54.840 -0.009 0.000 0.960 289 L CB 1.240 43.277 42.059 -0.037 0.000 1.326 289 L HN 0.184 nan 8.230 nan 0.000 0.441 290 P HA -0.115 nan 4.420 nan 0.000 0.226 290 P C -0.016 177.304 177.300 0.034 0.000 1.153 290 P CA 0.629 63.758 63.100 0.048 0.000 0.777 290 P CB 0.175 31.891 31.700 0.027 0.000 0.794 291 Q N 0.988 120.799 119.800 0.019 0.000 2.262 291 Q HA -0.027 4.331 4.340 0.030 0.000 0.298 291 Q C 0.196 176.211 176.000 0.023 0.000 1.083 291 Q CA 0.488 56.298 55.803 0.012 0.000 0.962 291 Q CB -0.223 28.513 28.738 -0.002 0.000 1.104 291 Q HN 0.260 nan 8.270 nan 0.000 0.376 292 E N 2.020 122.234 120.200 0.025 0.000 1.800 292 E HA 0.002 4.370 4.350 0.030 0.000 0.262 292 E C -0.464 176.153 176.600 0.029 0.000 1.219 292 E CA -0.036 56.383 56.400 0.032 0.000 1.051 292 E CB 0.330 30.049 29.700 0.031 0.000 1.074 292 E HN 0.397 nan 8.360 nan 0.000 0.433 293 S N 1.621 117.339 115.700 0.030 0.000 2.707 293 S HA 0.387 4.874 4.470 0.030 0.000 0.276 293 S C 1.279 175.915 174.600 0.060 0.000 1.179 293 S CA -0.658 57.557 58.200 0.025 0.000 0.992 293 S CB 0.807 64.004 63.200 -0.006 0.000 1.030 293 S HN 0.375 nan 8.310 nan 0.000 0.554 294 I N 0.083 120.712 120.570 0.098 0.000 3.313 294 I HA 0.164 4.352 4.170 0.030 0.000 0.233 294 I C 0.160 176.396 176.117 0.198 0.000 1.050 294 I CA 0.241 61.663 61.300 0.204 0.000 1.499 294 I CB -0.397 37.805 38.000 0.337 0.000 1.373 294 I HN 0.449 nan 8.210 nan 0.000 0.458 295 F N 4.411 124.209 119.950 -0.252 0.000 2.591 295 F HA 0.087 4.632 4.527 0.029 0.000 0.378 295 F C 1.768 177.070 175.800 -0.830 0.000 1.181 295 F CA -0.376 57.296 58.000 -0.547 0.000 1.340 295 F CB -1.291 37.420 39.000 -0.482 0.000 1.749 295 F HN 0.126 nan 8.300 nan 0.000 0.662 296 R N 0.954 121.203 120.500 -0.418 0.000 2.094 296 R HA -0.003 4.355 4.340 0.030 0.000 0.214 296 R C 0.053 175.939 176.300 -0.690 0.000 1.174 296 R CA 0.218 56.115 56.100 -0.339 0.000 0.919 296 R CB -1.191 29.112 30.300 0.005 0.000 0.795 296 R HN 0.165 nan 8.270 nan 0.000 0.465 297 F N 1.356 121.421 119.950 0.191 0.000 1.974 297 F HA -0.208 4.337 4.527 0.029 0.000 0.209 297 F C 0.602 176.305 175.800 -0.162 0.000 1.016 297 F CA 0.065 58.014 58.000 -0.085 0.000 0.785 297 F CB -1.955 37.163 39.000 0.196 0.000 1.096 297 F HN 0.172 nan 8.300 nan 0.000 0.748 298 S N 0.877 116.403 115.700 -0.290 0.000 2.402 298 S HA 0.009 4.497 4.470 0.030 0.000 0.229 298 S C 0.280 174.465 174.600 -0.693 0.000 1.021 298 S CA 1.010 58.864 58.200 -0.577 0.000 0.974 298 S CB -0.195 62.472 63.200 -0.887 0.000 0.800 298 S HN 0.464 nan 8.310 nan 0.000 0.484 299 F N 2.031 122.001 119.950 0.033 0.000 2.366 299 F HA 0.560 5.105 4.527 0.030 0.000 0.366 299 F C 0.002 175.863 175.800 0.101 0.000 1.096 299 F CA -1.111 56.938 58.000 0.082 0.000 1.060 299 F CB 1.185 40.244 39.000 0.097 0.000 1.282 299 F HN -0.119 nan 8.300 nan 0.000 0.450 300 V N 0.608 120.549 119.914 0.046 0.000 3.141 300 V HA 0.766 4.904 4.120 0.030 0.000 0.312 300 V C -2.887 172.864 176.094 -0.571 0.000 1.157 300 V CA -3.374 58.672 62.300 -0.423 0.000 1.041 300 V CB 2.045 33.781 31.823 -0.146 0.000 1.071 300 V HN 0.228 nan 8.190 nan 0.000 0.441 301 P HA 0.141 nan 4.420 nan 0.000 0.265 301 P C -0.647 176.494 177.300 -0.265 0.000 1.187 301 P CA 0.425 63.191 63.100 -0.557 0.000 0.766 301 P CB 0.584 31.862 31.700 -0.703 0.000 0.820 302 V N 4.911 124.756 119.914 -0.115 0.000 2.547 302 V HA 0.231 4.368 4.120 0.030 0.000 0.299 302 V C -0.343 175.719 176.094 -0.054 0.000 1.040 302 V CA -0.881 61.379 62.300 -0.067 0.000 0.913 302 V CB 1.964 33.781 31.823 -0.011 0.000 0.992 302 V HN 0.135 nan 8.190 nan 0.000 0.449 303 V N 7.204 127.089 119.914 -0.048 0.000 2.421 303 V HA 0.219 4.357 4.120 0.030 0.000 0.271 303 V C 0.641 176.734 176.094 -0.001 0.000 1.031 303 V CA 0.473 62.760 62.300 -0.022 0.000 1.032 303 V CB 0.700 32.505 31.823 -0.030 0.000 1.009 303 V HN 1.074 nan 8.190 nan 0.000 0.477 304 D N 2.856 123.271 120.400 0.024 0.000 2.500 304 D HA 0.149 4.807 4.640 0.030 0.000 0.217 304 D C 1.403 177.723 176.300 0.033 0.000 1.159 304 D CA 0.519 54.538 54.000 0.031 0.000 0.828 304 D CB 0.528 41.358 40.800 0.050 0.000 1.039 304 D HN 0.723 nan 8.370 nan 0.000 0.512 305 G N 0.921 109.739 108.800 0.031 0.000 2.166 305 G HA2 -0.346 3.632 3.960 0.030 0.000 0.260 305 G HA3 -0.346 3.632 3.960 0.030 0.000 0.260 305 G C 0.428 175.346 174.900 0.031 0.000 0.986 305 G CA 1.004 46.118 45.100 0.024 0.000 0.683 305 G HN 0.541 nan 8.290 nan 0.000 0.527 306 D N -1.507 118.927 120.400 0.057 0.000 3.074 306 D HA 0.220 4.878 4.640 0.030 0.000 0.227 306 D C 1.779 178.127 176.300 0.081 0.000 1.553 306 D CA 0.329 54.367 54.000 0.063 0.000 1.347 306 D CB -0.501 40.349 40.800 0.082 0.000 1.021 306 D HN 0.082 nan 8.370 nan 0.000 0.260 307 F N 1.275 121.223 119.950 -0.003 0.000 2.075 307 F HA 0.187 4.732 4.527 0.030 0.000 0.297 307 F C 0.734 176.521 175.800 -0.022 0.000 1.113 307 F CA 1.105 59.099 58.000 -0.011 0.000 1.218 307 F CB 0.078 39.067 39.000 -0.018 0.000 0.984 307 F HN -0.032 nan 8.300 nan 0.000 0.472 308 L N 0.986 122.377 121.223 0.280 0.000 2.264 308 L HA 0.176 4.534 4.340 0.030 0.000 0.287 308 L C 1.443 178.353 176.870 0.067 0.000 1.039 308 L CA -0.150 54.779 54.840 0.149 0.000 0.829 308 L CB 1.134 43.257 42.059 0.107 0.000 1.211 308 L HN 0.112 nan 8.230 nan 0.000 0.427 309 S N 0.800 116.520 115.700 0.033 0.000 2.507 309 S HA -0.037 4.450 4.470 0.030 0.000 0.235 309 S C 0.420 175.026 174.600 0.010 0.000 0.988 309 S CA 0.610 58.817 58.200 0.012 0.000 0.944 309 S CB 0.020 63.215 63.200 -0.007 0.000 0.762 309 S HN 0.768 nan 8.310 nan 0.000 0.526 310 D N -0.394 120.014 120.400 0.013 0.000 2.792 310 D HA 0.223 4.881 4.640 0.030 0.000 0.335 310 D C -1.006 175.296 176.300 0.002 0.000 1.353 310 D CA 0.190 54.193 54.000 0.005 0.000 0.839 310 D CB 1.005 41.806 40.800 0.002 0.000 1.396 310 D HN 0.208 nan 8.370 nan 0.000 0.479 311 T N -0.646 113.903 114.554 -0.009 0.000 2.932 311 T HA 0.283 4.651 4.350 0.030 0.000 0.312 311 T C -1.798 172.894 174.700 -0.014 0.000 1.071 311 T CA -0.627 61.460 62.100 -0.021 0.000 1.128 311 T CB 1.069 69.919 68.868 -0.030 0.000 0.984 311 T HN 0.106 nan 8.240 nan 0.000 0.549 312 P HA -0.113 nan 4.420 nan 0.000 0.216 312 P C 1.391 178.687 177.300 -0.007 0.000 1.153 312 P CA 1.141 64.228 63.100 -0.022 0.000 0.858 312 P CB 0.072 31.730 31.700 -0.070 0.000 0.789 313 E N -0.433 119.753 120.200 -0.023 0.000 2.038 313 E HA -0.190 4.177 4.350 0.030 0.000 0.195 313 E C 2.169 178.777 176.600 0.014 0.000 1.000 313 E CA 1.791 58.186 56.400 -0.009 0.000 0.803 313 E CB -1.193 28.495 29.700 -0.019 0.000 0.750 313 E HN 0.127 nan 8.360 nan 0.000 0.448 314 A N 0.506 123.331 122.820 0.008 0.000 1.883 314 A HA -0.185 4.152 4.320 0.030 0.000 0.217 314 A C 2.269 179.871 177.584 0.030 0.000 1.186 314 A CA 1.415 53.460 52.037 0.013 0.000 0.624 314 A CB -0.811 18.190 19.000 0.003 0.000 0.822 314 A HN 0.207 nan 8.150 nan 0.000 0.444 315 L N -0.958 120.288 121.223 0.038 0.000 2.046 315 L HA -0.163 4.194 4.340 0.030 0.000 0.208 315 L C 2.527 179.477 176.870 0.132 0.000 1.077 315 L CA 1.244 56.122 54.840 0.064 0.000 0.747 315 L CB -0.434 41.666 42.059 0.069 0.000 0.896 315 L HN 0.376 nan 8.230 nan 0.000 0.432 316 I N -0.086 120.569 120.570 0.140 0.000 2.226 316 I HA -0.292 3.896 4.170 0.030 0.000 0.245 316 I C 2.198 178.439 176.117 0.207 0.000 1.100 316 I CA 1.019 62.443 61.300 0.206 0.000 1.374 316 I CB -0.266 37.786 38.000 0.087 0.000 1.057 316 I HN 0.322 nan 8.210 nan 0.000 0.413 317 N N 0.047 118.814 118.700 0.112 0.000 2.166 317 N HA -0.154 4.604 4.740 0.030 0.000 0.186 317 N C 1.859 177.413 175.510 0.074 0.000 1.019 317 N CA 2.086 55.187 53.050 0.085 0.000 0.856 317 N CB -0.375 38.140 38.487 0.048 0.000 0.993 317 N HN 0.477 nan 8.380 nan 0.000 0.426 318 T N -3.495 111.088 114.554 0.048 0.000 3.014 318 T HA 0.253 4.620 4.350 0.030 0.000 0.250 318 T C 1.090 175.743 174.700 -0.078 0.000 1.060 318 T CA -0.089 62.007 62.100 -0.006 0.000 1.040 318 T CB -0.160 68.698 68.868 -0.017 0.000 0.971 318 T HN 0.067 nan 8.240 nan 0.000 0.497 319 G N 1.165 109.893 108.800 -0.120 0.000 2.554 319 G HA2 0.356 4.334 3.960 0.030 0.000 0.238 319 G HA3 0.356 4.334 3.960 0.030 0.000 0.238 319 G C -0.975 173.489 174.900 -0.726 0.000 1.259 319 G CA -0.327 44.475 45.100 -0.496 0.000 0.843 319 G HN 0.370 nan 8.290 nan 0.000 0.582 320 D N 0.007 119.948 120.400 -0.765 0.000 2.303 320 D HA 0.426 5.084 4.640 0.030 0.000 0.236 320 D C -0.449 175.452 176.300 -0.665 0.000 1.068 320 D CA -0.631 53.048 54.000 -0.534 0.000 0.830 320 D CB 0.711 41.354 40.800 -0.260 0.000 1.109 320 D HN 0.108 nan 8.370 nan 0.000 0.496 321 F N 2.516 122.471 119.950 0.008 0.000 2.881 321 F HA 0.194 4.739 4.527 0.030 0.000 0.343 321 F C 1.833 177.639 175.800 0.010 0.000 1.233 321 F CA -0.541 57.467 58.000 0.013 0.000 1.262 321 F CB 0.417 39.435 39.000 0.029 0.000 0.980 321 F HN 0.261 nan 8.300 nan 0.000 0.506 322 Q N 0.587 120.439 119.800 0.085 0.000 2.012 322 Q HA -0.182 4.176 4.340 0.030 0.000 0.211 322 Q C 0.230 176.268 176.000 0.063 0.000 1.009 322 Q CA 1.602 57.439 55.803 0.056 0.000 0.866 322 Q CB -0.252 28.493 28.738 0.011 0.000 0.945 322 Q HN 0.311 nan 8.270 nan 0.000 0.414 323 D N 0.130 120.560 120.400 0.049 0.000 2.638 323 D HA 0.349 5.006 4.640 0.030 0.000 0.245 323 D C -0.757 175.574 176.300 0.053 0.000 1.176 323 D CA -0.069 53.955 54.000 0.039 0.000 0.996 323 D CB -0.059 40.750 40.800 0.014 0.000 1.012 323 D HN -0.036 nan 8.370 nan 0.000 0.515 324 L N 1.503 122.777 121.223 0.085 0.000 2.543 324 L HA 0.286 4.644 4.340 0.030 0.000 0.265 324 L C -1.455 175.488 176.870 0.122 0.000 0.945 324 L CA -0.450 54.455 54.840 0.107 0.000 0.869 324 L CB 2.066 44.223 42.059 0.163 0.000 1.294 324 L HN -0.125 nan 8.230 nan 0.000 0.405 325 Q N 3.220 123.106 119.800 0.142 0.000 2.282 325 Q HA 0.859 5.217 4.340 0.030 0.000 0.260 325 Q C -1.360 174.887 176.000 0.412 0.000 0.964 325 Q CA -0.569 55.380 55.803 0.242 0.000 0.880 325 Q CB 2.745 31.585 28.738 0.170 0.000 1.286 325 Q HN 0.441 nan 8.270 nan 0.000 0.445 326 V N 2.296 122.447 119.914 0.395 0.000 2.777 326 V HA 0.385 4.523 4.120 0.030 0.000 0.306 326 V C -1.589 174.455 176.094 -0.084 0.000 1.112 326 V CA -0.841 61.592 62.300 0.222 0.000 0.917 326 V CB 1.984 33.846 31.823 0.066 0.000 1.018 326 V HN 0.605 nan 8.190 nan 0.000 0.426 327 L N 7.151 128.084 121.223 -0.483 0.000 2.272 327 L HA 0.878 5.236 4.340 0.030 0.000 0.289 327 L C -0.418 176.315 176.870 -0.228 0.000 1.032 327 L CA -0.140 54.334 54.840 -0.611 0.000 0.810 327 L CB 1.515 42.768 42.059 -1.343 0.000 1.205 327 L HN 0.605 nan 8.230 nan 0.000 0.422 328 V N 2.366 122.207 119.914 -0.121 0.000 2.789 328 V HA 1.106 5.244 4.120 0.030 0.000 0.311 328 V C -0.095 175.758 176.094 -0.401 0.000 1.073 328 V CA 0.100 62.312 62.300 -0.147 0.000 0.921 328 V CB 1.017 32.735 31.823 -0.175 0.000 1.009 328 V HN 1.016 nan 8.190 nan 0.000 0.426 329 G N 1.533 109.926 108.800 -0.679 0.000 2.645 329 G HA2 0.839 4.816 3.960 0.030 0.000 0.292 329 G HA3 0.839 4.816 3.960 0.030 0.000 0.292 329 G C -1.133 173.423 174.900 -0.573 0.000 1.415 329 G CA -0.082 44.182 45.100 -1.392 0.000 0.785 329 G HN 1.938 nan 8.290 nan 0.000 0.483 330 V N -2.268 117.452 119.914 -0.322 0.000 3.141 330 V HA 0.915 5.053 4.120 0.030 0.000 0.312 330 V C 0.338 176.596 176.094 0.272 0.000 1.157 330 V CA -0.610 61.713 62.300 0.038 0.000 1.041 330 V CB 1.122 32.956 31.823 0.018 0.000 1.071 330 V HN 1.553 nan 8.190 nan 0.000 0.441 331 V N -0.578 119.515 119.914 0.297 0.000 3.109 331 V HA 0.563 4.700 4.120 0.030 0.000 0.317 331 V C 1.405 177.675 176.094 0.293 0.000 1.074 331 V CA -0.070 62.468 62.300 0.397 0.000 1.033 331 V CB 1.184 33.226 31.823 0.365 0.000 1.111 331 V HN 1.061 nan 8.190 nan 0.000 0.458 332 K N -0.426 120.145 120.400 0.286 0.000 2.209 332 K HA -0.064 4.274 4.320 0.030 0.000 0.204 332 K C 0.294 177.002 176.600 0.179 0.000 1.048 332 K CA 1.770 58.177 56.287 0.199 0.000 0.940 332 K CB 0.105 32.697 32.500 0.153 0.000 0.729 332 K HN 0.892 nan 8.250 nan 0.000 0.451 333 D N 0.673 121.186 120.400 0.189 0.000 2.879 333 D HA 0.023 4.681 4.640 0.030 0.000 0.351 333 D C 0.127 176.540 176.300 0.188 0.000 1.239 333 D CA -0.071 54.029 54.000 0.168 0.000 0.771 333 D CB 1.111 41.986 40.800 0.126 0.000 1.176 333 D HN 0.119 nan 8.370 nan 0.000 0.496 334 E N 0.508 120.843 120.200 0.225 0.000 2.086 334 E HA -0.159 4.209 4.350 0.030 0.000 0.200 334 E C 1.933 178.744 176.600 0.351 0.000 1.012 334 E CA 1.106 57.690 56.400 0.305 0.000 0.812 334 E CB 0.000 29.876 29.700 0.293 0.000 0.743 334 E HN 0.391 nan 8.360 nan 0.000 0.453 335 G N 0.918 109.892 108.800 0.289 0.000 2.813 335 G HA2 -0.149 3.829 3.960 0.030 0.000 0.209 335 G HA3 -0.149 3.829 3.960 0.030 0.000 0.209 335 G C 1.694 176.761 174.900 0.279 0.000 1.150 335 G CA 0.877 46.184 45.100 0.346 0.000 0.785 335 G HN 0.354 nan 8.290 nan 0.000 0.535 336 S N 0.194 115.991 115.700 0.160 0.000 2.348 336 S HA -0.239 4.249 4.470 0.030 0.000 0.221 336 S C 2.109 176.675 174.600 -0.055 0.000 1.033 336 S CA 1.291 59.528 58.200 0.061 0.000 1.010 336 S CB -0.881 62.266 63.200 -0.089 0.000 0.891 336 S HN 0.434 nan 8.310 nan 0.000 0.442 337 Y N 1.999 122.081 120.300 -0.364 0.000 2.139 337 Y HA -0.216 4.351 4.550 0.029 0.000 0.282 337 Y C 1.722 177.419 175.900 -0.338 0.000 1.179 337 Y CA 1.949 59.691 58.100 -0.597 0.000 1.161 337 Y CB -0.583 37.373 38.460 -0.840 0.000 0.970 337 Y HN 0.303 nan 8.280 nan 0.000 0.511 338 F N -0.803 119.275 119.950 0.214 0.000 2.748 338 F HA -0.049 4.495 4.527 0.029 0.000 0.299 338 F C 1.839 177.744 175.800 0.174 0.000 1.154 338 F CA 0.345 58.471 58.000 0.209 0.000 1.446 338 F CB -0.241 38.915 39.000 0.260 0.000 1.112 338 F HN 0.048 nan 8.300 nan 0.000 0.584 339 L N -0.155 121.202 121.223 0.223 0.000 2.109 339 L HA -0.121 4.237 4.340 0.030 0.000 0.207 339 L C 2.467 179.453 176.870 0.193 0.000 1.086 339 L CA 0.776 55.639 54.840 0.037 0.000 0.760 339 L CB -0.599 41.257 42.059 -0.338 0.000 0.910 339 L HN 0.145 nan 8.230 nan 0.000 0.437 340 V N -4.391 115.688 119.914 0.274 0.000 3.078 340 V HA -0.218 3.920 4.120 0.030 0.000 0.265 340 V C 1.048 177.186 176.094 0.072 0.000 1.122 340 V CA 0.969 63.425 62.300 0.260 0.000 1.141 340 V CB -1.283 30.719 31.823 0.297 0.000 0.735 340 V HN 0.293 nan 8.190 nan 0.000 0.498 341 Y N 1.984 122.342 120.300 0.096 0.000 2.933 341 Y HA 0.641 5.208 4.550 0.029 0.000 0.380 341 Y C 1.519 177.446 175.900 0.044 0.000 1.056 341 Y CA 0.336 58.464 58.100 0.045 0.000 1.704 341 Y CB 0.375 38.863 38.460 0.048 0.000 1.558 341 Y HN 0.393 nan 8.280 nan 0.000 0.501 342 G N -1.271 107.615 108.800 0.144 0.000 2.421 342 G HA2 -0.197 3.780 3.960 0.030 0.000 0.188 342 G HA3 -0.197 3.780 3.960 0.030 0.000 0.188 342 G C -0.446 174.526 174.900 0.119 0.000 1.001 342 G CA -0.433 44.733 45.100 0.110 0.000 0.693 342 G HN 0.047 nan 8.290 nan 0.000 0.479 343 V N 3.642 123.650 119.914 0.155 0.000 2.408 343 V HA 0.405 4.543 4.120 0.030 0.000 0.267 343 V C -1.535 174.728 176.094 0.281 0.000 1.047 343 V CA -1.204 61.205 62.300 0.182 0.000 0.937 343 V CB 1.179 33.073 31.823 0.119 0.000 0.999 343 V HN 0.134 nan 8.190 nan 0.000 0.472 344 P HA 0.192 nan 4.420 nan 0.000 0.267 344 P C 1.011 178.409 177.300 0.163 0.000 1.200 344 P CA 1.180 64.371 63.100 0.153 0.000 0.772 344 P CB 0.551 32.307 31.700 0.094 0.000 0.855 345 G N 0.213 109.029 108.800 0.027 0.000 2.179 345 G HA2 -0.255 3.723 3.960 0.030 0.000 0.260 345 G HA3 -0.255 3.723 3.960 0.030 0.000 0.260 345 G C -0.165 174.506 174.900 -0.382 0.000 0.977 345 G CA -0.403 44.588 45.100 -0.182 0.000 0.641 345 G HN 0.403 nan 8.290 nan 0.000 0.533 346 F N 1.399 121.360 119.950 0.019 0.000 2.426 346 F HA 0.731 5.275 4.527 0.028 0.000 0.348 346 F C 0.501 176.399 175.800 0.163 0.000 1.124 346 F CA -0.109 57.931 58.000 0.066 0.000 1.008 346 F CB 2.288 41.380 39.000 0.154 0.000 1.139 346 F HN 0.219 nan 8.300 nan 0.000 0.452 347 S N 2.383 118.301 115.700 0.365 0.000 2.579 347 S HA 0.316 4.803 4.470 0.030 0.000 0.272 347 S C 0.327 175.210 174.600 0.473 0.000 1.141 347 S CA -0.864 57.557 58.200 0.369 0.000 0.843 347 S CB 1.537 64.858 63.200 0.200 0.000 1.122 347 S HN 0.759 nan 8.310 nan 0.000 0.468 348 K N 1.165 121.755 120.400 0.317 0.000 2.366 348 K HA 0.065 4.403 4.320 0.030 0.000 0.198 348 K C 0.274 176.916 176.600 0.070 0.000 1.044 348 K CA 1.177 57.552 56.287 0.148 0.000 0.973 348 K CB -0.126 32.144 32.500 -0.383 0.000 0.767 348 K HN 0.498 nan 8.250 nan 0.000 0.475 349 D N 1.157 121.585 120.400 0.047 0.000 2.259 349 D HA -0.044 4.614 4.640 0.030 0.000 0.216 349 D C 0.415 176.741 176.300 0.043 0.000 0.961 349 D CA 0.659 54.649 54.000 -0.017 0.000 0.878 349 D CB -0.041 40.731 40.800 -0.045 0.000 1.009 349 D HN 0.422 nan 8.370 nan 0.000 0.490 350 N N 0.260 118.998 118.700 0.064 0.000 2.566 350 N HA 0.083 4.840 4.740 0.030 0.000 0.299 350 N C 0.504 176.032 175.510 0.029 0.000 1.277 350 N CA -0.396 52.666 53.050 0.020 0.000 0.965 350 N CB 0.354 38.812 38.487 -0.049 0.000 1.142 350 N HN -0.206 nan 8.380 nan 0.000 0.596 351 E N -1.052 119.090 120.200 -0.097 0.000 2.489 351 E HA 0.060 4.428 4.350 0.030 0.000 0.193 351 E C -0.483 175.709 176.600 -0.680 0.000 1.057 351 E CA 0.003 56.262 56.400 -0.234 0.000 0.866 351 E CB -0.185 29.450 29.700 -0.109 0.000 0.916 351 E HN 0.547 nan 8.360 nan 0.000 0.500 352 S N 0.457 115.805 115.700 -0.586 0.000 3.533 352 S HA -0.193 4.294 4.470 0.030 0.000 0.347 352 S C 0.303 174.460 174.600 -0.738 0.000 1.101 352 S CA 0.182 57.919 58.200 -0.773 0.000 1.009 352 S CB -1.661 60.851 63.200 -1.147 0.000 0.916 352 S HN 0.349 nan 8.310 nan 0.000 0.496 353 L N 1.809 122.758 121.223 -0.456 0.000 2.704 353 L HA 0.172 4.530 4.340 0.030 0.000 0.279 353 L C 0.903 177.596 176.870 -0.296 0.000 1.147 353 L CA 0.119 54.767 54.840 -0.319 0.000 0.994 353 L CB -0.559 41.380 42.059 -0.200 0.000 1.332 353 L HN 0.423 nan 8.230 nan 0.000 0.471 354 I N 0.265 120.643 120.570 -0.319 0.000 2.713 354 I HA 0.419 4.607 4.170 0.030 0.000 0.300 354 I C 0.898 176.954 176.117 -0.101 0.000 1.009 354 I CA -0.430 60.728 61.300 -0.236 0.000 1.305 354 I CB 1.272 39.127 38.000 -0.243 0.000 1.430 354 I HN 0.529 nan 8.210 nan 0.000 0.546 355 S N 3.716 119.381 115.700 -0.058 0.000 2.603 355 S HA 0.263 4.750 4.470 0.030 0.000 0.268 355 S C 1.081 175.706 174.600 0.041 0.000 1.317 355 S CA -0.356 57.834 58.200 -0.016 0.000 1.012 355 S CB 1.336 64.531 63.200 -0.008 0.000 0.926 355 S HN 0.896 nan 8.310 nan 0.000 0.539 356 R N 1.441 121.962 120.500 0.036 0.000 2.091 356 R HA -0.105 4.253 4.340 0.030 0.000 0.238 356 R C 2.315 178.708 176.300 0.156 0.000 1.136 356 R CA 1.788 57.940 56.100 0.087 0.000 0.959 356 R CB -1.145 29.173 30.300 0.031 0.000 0.856 356 R HN 0.851 nan 8.270 nan 0.000 0.437 357 A N 0.390 123.268 122.820 0.096 0.000 1.933 357 A HA -0.209 4.128 4.320 0.030 0.000 0.218 357 A C 2.038 179.680 177.584 0.096 0.000 1.175 357 A CA 1.563 53.653 52.037 0.088 0.000 0.628 357 A CB -0.446 18.587 19.000 0.054 0.000 0.814 357 A HN 0.546 nan 8.150 nan 0.000 0.444 358 Q N -1.987 117.874 119.800 0.101 0.000 2.167 358 Q HA -0.105 4.253 4.340 0.030 0.000 0.202 358 Q C 1.827 177.929 176.000 0.171 0.000 0.970 358 Q CA 1.448 57.317 55.803 0.109 0.000 0.855 358 Q CB -0.246 28.535 28.738 0.072 0.000 0.911 358 Q HN 0.813 nan 8.270 nan 0.000 0.438 359 F N 0.878 120.867 119.950 0.065 0.000 2.146 359 F HA -0.153 4.395 4.527 0.036 0.000 0.298 359 F C 1.641 177.485 175.800 0.074 0.000 1.096 359 F CA 1.000 59.051 58.000 0.085 0.000 1.275 359 F CB 0.087 39.120 39.000 0.056 0.000 1.008 359 F HN -0.048 nan 8.300 nan 0.000 0.480 360 L N 0.154 121.381 121.223 0.006 0.000 2.046 360 L HA -0.165 4.192 4.340 0.030 0.000 0.208 360 L C 2.851 179.670 176.870 -0.086 0.000 1.077 360 L CA 1.161 55.952 54.840 -0.081 0.000 0.747 360 L CB -1.622 40.469 42.059 0.053 0.000 0.896 360 L HN 0.265 nan 8.230 nan 0.000 0.432 361 A N 0.798 123.608 122.820 -0.016 0.000 1.902 361 A HA -0.116 4.222 4.320 0.030 0.000 0.217 361 A C 2.431 180.005 177.584 -0.017 0.000 1.181 361 A CA 1.777 53.815 52.037 0.001 0.000 0.623 361 A CB -1.178 17.844 19.000 0.037 0.000 0.818 361 A HN 0.437 nan 8.150 nan 0.000 0.443 362 G N -0.641 108.143 108.800 -0.027 0.000 2.408 362 G HA2 -0.086 3.892 3.960 0.030 0.000 0.217 362 G HA3 -0.086 3.892 3.960 0.030 0.000 0.217 362 G C 1.477 176.314 174.900 -0.104 0.000 1.150 362 G CA 1.153 46.237 45.100 -0.027 0.000 0.776 362 G HN 0.319 nan 8.290 nan 0.000 0.542 363 V N 1.230 121.014 119.914 -0.218 0.000 2.392 363 V HA -0.156 3.982 4.120 0.030 0.000 0.249 363 V C 2.931 178.975 176.094 -0.084 0.000 1.059 363 V CA 1.662 63.847 62.300 -0.192 0.000 1.051 363 V CB -0.397 31.260 31.823 -0.276 0.000 0.658 363 V HN 0.249 nan 8.190 nan 0.000 0.455 364 R N -0.234 120.228 120.500 -0.063 0.000 2.148 364 R HA 0.040 4.398 4.340 0.030 0.000 0.227 364 R C 1.996 178.287 176.300 -0.016 0.000 1.103 364 R CA 1.223 57.306 56.100 -0.027 0.000 0.983 364 R CB -0.696 29.595 30.300 -0.014 0.000 0.874 364 R HN 0.486 nan 8.270 nan 0.000 0.451 365 I N -0.527 120.034 120.570 -0.015 0.000 2.296 365 I HA -0.042 4.146 4.170 0.030 0.000 0.242 365 I C 2.399 178.512 176.117 -0.007 0.000 1.087 365 I CA 1.222 62.523 61.300 0.002 0.000 1.393 365 I CB -0.673 37.341 38.000 0.023 0.000 1.093 365 I HN 0.167 nan 8.210 nan 0.000 0.421 366 G N 0.762 109.545 108.800 -0.029 0.000 2.422 366 G HA2 -0.110 3.867 3.960 0.030 0.000 0.218 366 G HA3 -0.110 3.867 3.960 0.030 0.000 0.218 366 G C 0.893 175.765 174.900 -0.048 0.000 1.146 366 G CA 0.556 45.624 45.100 -0.052 0.000 0.769 366 G HN 0.249 nan 8.290 nan 0.000 0.547 367 V N 2.080 121.969 119.914 -0.042 0.000 2.233 367 V HA 0.224 4.361 4.120 0.030 0.000 0.261 367 V C -1.473 174.608 176.094 -0.021 0.000 1.076 367 V CA -1.127 61.136 62.300 -0.061 0.000 1.001 367 V CB 1.410 33.193 31.823 -0.066 0.000 1.206 367 V HN 0.114 nan 8.190 nan 0.000 0.468 368 P HA -0.102 nan 4.420 nan 0.000 0.226 368 P C 1.031 178.330 177.300 -0.000 0.000 1.153 368 P CA 0.887 63.986 63.100 -0.002 0.000 0.777 368 P CB 0.493 32.192 31.700 -0.001 0.000 0.794 369 Q N 0.387 120.192 119.800 0.009 0.000 2.297 369 Q HA 0.110 4.468 4.340 0.030 0.000 0.204 369 Q C 1.240 177.237 176.000 -0.005 0.000 0.962 369 Q CA 0.569 56.377 55.803 0.007 0.000 0.879 369 Q CB -0.957 27.800 28.738 0.031 0.000 0.947 369 Q HN 0.180 nan 8.270 nan 0.000 0.462 370 A N 1.476 124.290 122.820 -0.009 0.000 2.492 370 A HA 0.367 4.705 4.320 0.030 0.000 0.254 370 A C 0.485 178.064 177.584 -0.010 0.000 1.091 370 A CA -0.192 51.837 52.037 -0.013 0.000 0.768 370 A CB 0.061 19.058 19.000 -0.004 0.000 1.028 370 A HN 0.346 nan 8.150 nan 0.000 0.498 371 S N 2.118 117.809 115.700 -0.015 0.000 2.626 371 S HA 0.137 4.625 4.470 0.030 0.000 0.257 371 S C 0.483 175.085 174.600 0.003 0.000 1.288 371 S CA 0.201 58.395 58.200 -0.010 0.000 0.980 371 S CB 0.362 63.551 63.200 -0.018 0.000 0.975 371 S HN 0.629 nan 8.310 nan 0.000 0.577 372 D N 0.302 120.707 120.400 0.008 0.000 2.092 372 D HA -0.106 4.551 4.640 0.030 0.000 0.193 372 D C 1.812 178.131 176.300 0.033 0.000 0.994 372 D CA 1.189 55.202 54.000 0.020 0.000 0.828 372 D CB -0.632 40.180 40.800 0.020 0.000 0.963 372 D HN 0.400 nan 8.370 nan 0.000 0.450 373 L N 0.798 122.037 121.223 0.028 0.000 2.042 373 L HA -0.109 4.249 4.340 0.030 0.000 0.210 373 L C 2.101 179.006 176.870 0.059 0.000 1.076 373 L CA 1.869 56.734 54.840 0.043 0.000 0.749 373 L CB -0.929 41.146 42.059 0.026 0.000 0.893 373 L HN 0.012 nan 8.230 nan 0.000 0.432 374 A N -0.512 122.323 122.820 0.025 0.000 1.858 374 A HA -0.140 4.198 4.320 0.030 0.000 0.216 374 A C 2.462 180.091 177.584 0.074 0.000 1.190 374 A CA 2.072 54.122 52.037 0.023 0.000 0.617 374 A CB -1.292 17.688 19.000 -0.034 0.000 0.827 374 A HN 0.574 nan 8.150 nan 0.000 0.443 375 A N -0.564 122.289 122.820 0.054 0.000 1.933 375 A HA -0.162 4.175 4.320 0.030 0.000 0.218 375 A C 1.935 179.577 177.584 0.096 0.000 1.175 375 A CA 2.209 54.282 52.037 0.060 0.000 0.628 375 A CB -0.518 18.497 19.000 0.026 0.000 0.814 375 A HN 0.552 nan 8.150 nan 0.000 0.444 376 E N 0.316 120.577 120.200 0.102 0.000 2.049 376 E HA -0.152 4.216 4.350 0.030 0.000 0.198 376 E C 2.100 178.809 176.600 0.180 0.000 1.007 376 E CA 1.851 58.330 56.400 0.133 0.000 0.809 376 E CB -0.538 29.230 29.700 0.113 0.000 0.749 376 E HN 0.491 nan 8.360 nan 0.000 0.450 377 A N -0.031 122.913 122.820 0.206 0.000 1.883 377 A HA -0.192 4.146 4.320 0.030 0.000 0.217 377 A C 2.557 180.275 177.584 0.223 0.000 1.186 377 A CA 1.920 54.126 52.037 0.283 0.000 0.624 377 A CB -0.975 18.299 19.000 0.456 0.000 0.822 377 A HN 0.204 nan 8.150 nan 0.000 0.444 378 V N -0.484 119.591 119.914 0.268 0.000 2.287 378 V HA -0.257 3.881 4.120 0.030 0.000 0.248 378 V C 2.559 178.828 176.094 0.292 0.000 1.053 378 V CA 2.095 64.526 62.300 0.219 0.000 1.027 378 V CB -0.833 31.127 31.823 0.228 0.000 0.646 378 V HN 0.376 nan 8.190 nan 0.000 0.447 379 V N -0.574 119.492 119.914 0.254 0.000 2.343 379 V HA -0.206 3.931 4.120 0.030 0.000 0.247 379 V C 2.352 178.666 176.094 0.366 0.000 1.051 379 V CA 1.524 64.040 62.300 0.360 0.000 1.036 379 V CB -0.412 31.583 31.823 0.288 0.000 0.654 379 V HN 0.405 nan 8.190 nan 0.000 0.451 380 L N -0.361 121.065 121.223 0.338 0.000 2.083 380 L HA -0.212 4.146 4.340 0.030 0.000 0.209 380 L C 2.456 179.535 176.870 0.349 0.000 1.083 380 L CA 2.524 57.636 54.840 0.454 0.000 0.752 380 L CB -1.196 41.032 42.059 0.281 0.000 0.899 380 L HN 0.540 nan 8.230 nan 0.000 0.433 381 H N -1.206 117.833 119.070 -0.053 0.000 2.363 381 H HA -0.172 4.404 4.556 0.033 0.000 0.301 381 H C 1.835 177.011 175.328 -0.254 0.000 1.074 381 H CA 1.791 57.636 56.048 -0.338 0.000 1.354 381 H CB -0.041 29.099 29.762 -1.038 0.000 1.397 381 H HN 0.237 nan 8.280 nan 0.000 0.516 382 Y N 0.010 120.319 120.300 0.016 0.000 2.482 382 Y HA 0.128 4.694 4.550 0.028 0.000 0.270 382 Y C 0.645 176.470 175.900 -0.125 0.000 1.152 382 Y CA 0.208 58.331 58.100 0.038 0.000 1.292 382 Y CB 0.474 39.117 38.460 0.306 0.000 1.070 382 Y HN 0.066 nan 8.280 nan 0.000 0.528 383 T N 1.428 115.886 114.554 -0.159 0.000 2.901 383 T HA -0.058 4.309 4.350 0.030 0.000 0.301 383 T C -0.213 174.070 174.700 -0.696 0.000 1.012 383 T CA -0.365 61.345 62.100 -0.649 0.000 1.135 383 T CB 0.390 68.465 68.868 -1.322 0.000 0.936 383 T HN 0.101 nan 8.240 nan 0.000 0.539 384 D N 2.187 122.264 120.400 -0.538 0.000 2.393 384 D HA 0.052 4.710 4.640 0.030 0.000 0.232 384 D C 0.021 176.046 176.300 -0.460 0.000 1.192 384 D CA -0.465 53.306 54.000 -0.382 0.000 0.882 384 D CB 0.465 41.099 40.800 -0.276 0.000 1.038 384 D HN 0.629 nan 8.370 nan 0.000 0.499 385 W N 3.266 124.467 121.300 -0.164 0.000 2.825 385 W HA -0.040 4.636 4.660 0.026 0.000 0.243 385 W C 1.872 178.269 176.519 -0.204 0.000 1.293 385 W CA -0.474 56.781 57.345 -0.150 0.000 1.403 385 W CB 0.126 29.517 29.460 -0.116 0.000 1.134 385 W HN 0.405 nan 8.180 nan 0.000 0.666 386 L N -0.193 120.921 121.223 -0.182 0.000 2.162 386 L HA 0.005 4.363 4.340 0.030 0.000 0.205 386 L C 0.212 176.720 176.870 -0.603 0.000 1.086 386 L CA 1.812 56.403 54.840 -0.414 0.000 0.778 386 L CB -0.738 40.969 42.059 -0.585 0.000 0.928 386 L HN 0.014 nan 8.230 nan 0.000 0.446 387 H N -1.266 117.678 119.070 -0.209 0.000 2.380 387 H HA 0.333 4.896 4.556 0.011 0.000 0.231 387 H C -1.983 173.175 175.328 -0.284 0.000 1.415 387 H CA -1.786 54.119 56.048 -0.238 0.000 1.433 387 H CB -0.056 29.515 29.762 -0.320 0.000 1.544 387 H HN 0.072 nan 8.280 nan 0.000 0.503 388 P HA -0.120 nan 4.420 nan 0.000 0.230 388 P C 0.634 177.813 177.300 -0.202 0.000 1.158 388 P CA 1.020 63.952 63.100 -0.280 0.000 0.769 388 P CB 0.734 32.315 31.700 -0.199 0.000 0.807 389 E N -0.369 119.768 120.200 -0.104 0.000 2.447 389 E HA 0.013 4.381 4.350 0.030 0.000 0.204 389 E C 0.235 176.799 176.600 -0.060 0.000 0.977 389 E CA 0.042 56.400 56.400 -0.070 0.000 0.950 389 E CB -0.270 29.412 29.700 -0.030 0.000 0.975 389 E HN 0.226 nan 8.360 nan 0.000 0.496 390 D N 3.313 123.686 120.400 -0.044 0.000 2.412 390 D HA -0.034 4.624 4.640 0.030 0.000 0.257 390 D C -1.325 174.968 176.300 -0.013 0.000 1.217 390 D CA -1.476 52.519 54.000 -0.008 0.000 0.897 390 D CB 1.108 41.933 40.800 0.042 0.000 1.132 390 D HN -0.118 nan 8.370 nan 0.000 0.493 391 P HA -0.149 nan 4.420 nan 0.000 0.219 391 P C 0.997 178.255 177.300 -0.071 0.000 1.146 391 P CA 0.969 64.027 63.100 -0.070 0.000 0.808 391 P CB 0.159 31.807 31.700 -0.088 0.000 0.779 392 T N -0.996 113.531 114.554 -0.045 0.000 2.737 392 T HA -0.134 4.234 4.350 0.030 0.000 0.265 392 T C 1.652 176.307 174.700 -0.075 0.000 1.038 392 T CA 1.524 63.581 62.100 -0.071 0.000 1.144 392 T CB -1.033 67.780 68.868 -0.093 0.000 0.866 392 T HN 0.282 nan 8.240 nan 0.000 0.434 393 H N 0.586 119.610 119.070 -0.075 0.000 2.423 393 H HA 0.162 4.730 4.556 0.021 0.000 0.297 393 H C 2.027 177.279 175.328 -0.127 0.000 1.075 393 H CA 0.903 56.906 56.048 -0.076 0.000 1.342 393 H CB -0.326 29.382 29.762 -0.090 0.000 1.395 393 H HN 0.200 nan 8.280 nan 0.000 0.530 394 L N -0.289 120.891 121.223 -0.072 0.000 2.131 394 L HA -0.072 4.286 4.340 0.030 0.000 0.206 394 L C 2.708 179.610 176.870 0.053 0.000 1.087 394 L CA 0.731 55.428 54.840 -0.238 0.000 0.767 394 L CB -0.222 41.680 42.059 -0.261 0.000 0.917 394 L HN 0.181 nan 8.230 nan 0.000 0.441 395 R N 0.745 121.295 120.500 0.084 0.000 2.082 395 R HA -0.189 4.168 4.340 0.030 0.000 0.228 395 R C 1.735 178.211 176.300 0.294 0.000 1.140 395 R CA 2.234 58.470 56.100 0.227 0.000 0.920 395 R CB -0.601 29.683 30.300 -0.028 0.000 0.828 395 R HN 0.266 nan 8.270 nan 0.000 0.430 396 D N 0.493 121.003 120.400 0.184 0.000 2.203 396 D HA -0.188 4.469 4.640 0.030 0.000 0.199 396 D C 1.679 178.096 176.300 0.195 0.000 0.997 396 D CA 1.580 55.693 54.000 0.189 0.000 0.863 396 D CB -0.214 40.638 40.800 0.088 0.000 0.928 396 D HN 0.445 nan 8.370 nan 0.000 0.458 397 A N 0.607 123.533 122.820 0.176 0.000 1.841 397 A HA -0.160 4.177 4.320 0.030 0.000 0.214 397 A C 2.186 179.917 177.584 0.245 0.000 1.195 397 A CA 1.686 53.851 52.037 0.214 0.000 0.611 397 A CB -0.606 18.449 19.000 0.091 0.000 0.835 397 A HN 0.132 nan 8.150 nan 0.000 0.443 398 M N 0.397 120.236 119.600 0.398 0.000 2.089 398 M HA -0.178 4.320 4.480 0.030 0.000 0.257 398 M C 2.347 178.686 176.300 0.065 0.000 1.071 398 M CA 2.309 57.764 55.300 0.257 0.000 1.096 398 M CB -0.651 32.139 32.600 0.317 0.000 1.330 398 M HN 0.478 nan 8.290 nan 0.000 0.403 399 S N -0.557 115.214 115.700 0.118 0.000 2.374 399 S HA -0.177 4.311 4.470 0.030 0.000 0.227 399 S C 1.986 176.653 174.600 0.112 0.000 1.037 399 S CA 1.833 60.111 58.200 0.131 0.000 1.024 399 S CB -0.580 62.767 63.200 0.244 0.000 0.861 399 S HN 0.634 nan 8.310 nan 0.000 0.456 400 A N 0.684 123.571 122.820 0.111 0.000 1.897 400 A HA 0.085 4.422 4.320 0.030 0.000 0.215 400 A C 2.383 179.961 177.584 -0.010 0.000 1.181 400 A CA 1.500 53.613 52.037 0.127 0.000 0.620 400 A CB -1.081 18.082 19.000 0.272 0.000 0.821 400 A HN 0.455 nan 8.150 nan 0.000 0.443 401 V N -0.198 119.545 119.914 -0.286 0.000 2.282 401 V HA -0.282 3.856 4.120 0.030 0.000 0.249 401 V C 2.575 178.600 176.094 -0.115 0.000 1.057 401 V CA 2.285 64.406 62.300 -0.297 0.000 1.032 401 V CB -0.813 30.846 31.823 -0.273 0.000 0.645 401 V HN 0.382 nan 8.190 nan 0.000 0.447 402 V N 0.399 120.251 119.914 -0.104 0.000 2.283 402 V HA -0.097 4.041 4.120 0.030 0.000 0.243 402 V C 2.642 178.631 176.094 -0.174 0.000 1.039 402 V CA 2.020 64.226 62.300 -0.157 0.000 1.016 402 V CB -1.429 30.349 31.823 -0.074 0.000 0.650 402 V HN 0.593 nan 8.190 nan 0.000 0.449 403 G N 0.212 109.005 108.800 -0.010 0.000 2.553 403 G HA2 -0.320 3.658 3.960 0.030 0.000 0.218 403 G HA3 -0.320 3.658 3.960 0.030 0.000 0.218 403 G C 1.202 176.074 174.900 -0.045 0.000 1.195 403 G CA 1.428 46.556 45.100 0.046 0.000 0.779 403 G HN 0.520 nan 8.290 nan 0.000 0.577 404 D N -0.320 120.053 120.400 -0.044 0.000 2.084 404 D HA -0.094 4.563 4.640 0.030 0.000 0.194 404 D C 2.125 178.153 176.300 -0.454 0.000 0.990 404 D CA 1.442 55.379 54.000 -0.105 0.000 0.826 404 D CB -0.681 40.208 40.800 0.150 0.000 0.971 404 D HN 0.437 nan 8.370 nan 0.000 0.453 405 H N 0.711 119.223 119.070 -0.930 0.000 2.387 405 H HA -0.013 4.561 4.556 0.029 0.000 0.299 405 H C 1.383 176.353 175.328 -0.596 0.000 1.099 405 H CA 1.694 56.989 56.048 -1.254 0.000 1.315 405 H CB 0.045 28.966 29.762 -1.401 0.000 1.380 405 H HN 0.010 nan 8.280 nan 0.000 0.513 406 N N -1.027 117.315 118.700 -0.597 0.000 2.388 406 N HA 0.030 4.788 4.740 0.030 0.000 0.176 406 N C 1.100 176.602 175.510 -0.014 0.000 1.062 406 N CA 0.976 53.760 53.050 -0.443 0.000 0.895 406 N CB 1.198 39.155 38.487 -0.883 0.000 1.018 406 N HN 0.273 nan 8.380 nan 0.000 0.456 407 V N -0.494 119.390 119.914 -0.050 0.000 3.658 407 V HA 0.041 4.179 4.120 0.030 0.000 0.197 407 V C 2.165 178.271 176.094 0.021 0.000 1.295 407 V CA 0.171 62.524 62.300 0.087 0.000 1.298 407 V CB -0.262 31.663 31.823 0.171 0.000 1.347 407 V HN -0.195 nan 8.190 nan 0.000 0.548 408 V N 0.294 120.213 119.914 0.008 0.000 2.252 408 V HA -0.351 3.786 4.120 0.030 0.000 0.249 408 V C 2.485 178.569 176.094 -0.017 0.000 1.056 408 V CA 2.728 65.029 62.300 0.002 0.000 1.022 408 V CB -1.114 30.734 31.823 0.041 0.000 0.641 408 V HN 0.674 nan 8.190 nan 0.000 0.445 409 c N -0.132 118.452 118.600 -0.027 0.000 2.462 409 c HA -0.007 4.580 4.570 0.030 0.000 0.278 409 c C 0.731 174.813 174.090 -0.013 0.000 1.253 409 c CA 1.218 57.554 56.329 0.012 0.000 1.713 409 c CB -2.011 40.532 42.510 0.055 0.000 2.049 409 c HN 0.444 nan 8.230 nan 0.000 0.477 410 P HA -0.122 nan 4.420 nan 0.000 0.218 410 P C 1.714 178.981 177.300 -0.056 0.000 1.154 410 P CA 1.614 64.676 63.100 -0.063 0.000 0.872 410 P CB -0.204 31.446 31.700 -0.083 0.000 0.790 411 V N -0.139 119.743 119.914 -0.053 0.000 2.270 411 V HA -0.258 3.880 4.120 0.030 0.000 0.245 411 V C 2.484 178.503 176.094 -0.126 0.000 1.043 411 V CA 2.237 64.482 62.300 -0.091 0.000 1.014 411 V CB -1.705 30.055 31.823 -0.105 0.000 0.645 411 V HN 0.109 nan 8.190 nan 0.000 0.447 412 A N -0.006 122.756 122.820 -0.097 0.000 1.892 412 A HA -0.383 3.955 4.320 0.030 0.000 0.218 412 A C 2.217 179.791 177.584 -0.017 0.000 1.188 412 A CA 2.693 54.687 52.037 -0.072 0.000 0.631 412 A CB -0.677 18.330 19.000 0.013 0.000 0.822 412 A HN 0.676 nan 8.150 nan 0.000 0.447 413 Q N -0.700 119.101 119.800 0.003 0.000 2.050 413 Q HA -0.153 4.205 4.340 0.030 0.000 0.202 413 Q C 1.894 177.894 176.000 0.000 0.000 0.980 413 Q CA 1.969 57.786 55.803 0.023 0.000 0.840 413 Q CB -0.490 28.260 28.738 0.019 0.000 0.898 413 Q HN 0.505 nan 8.270 nan 0.000 0.424 414 L N 0.651 121.847 121.223 -0.044 0.000 1.970 414 L HA -0.063 4.295 4.340 0.030 0.000 0.212 414 L C 2.367 179.191 176.870 -0.077 0.000 1.071 414 L CA 2.503 57.300 54.840 -0.070 0.000 0.751 414 L CB -1.286 40.714 42.059 -0.098 0.000 0.889 414 L HN 0.335 nan 8.230 nan 0.000 0.432 415 A N -0.469 122.276 122.820 -0.126 0.000 1.948 415 A HA -0.160 4.178 4.320 0.030 0.000 0.220 415 A C 2.306 179.943 177.584 0.090 0.000 1.177 415 A CA 1.870 53.808 52.037 -0.166 0.000 0.636 415 A CB -1.711 16.954 19.000 -0.557 0.000 0.815 415 A HN 0.611 nan 8.150 nan 0.000 0.449 416 G N -0.452 108.441 108.800 0.155 0.000 2.453 416 G HA2 -0.225 3.753 3.960 0.030 0.000 0.215 416 G HA3 -0.225 3.753 3.960 0.030 0.000 0.215 416 G C 1.633 176.620 174.900 0.145 0.000 1.201 416 G CA 0.812 46.062 45.100 0.249 0.000 0.784 416 G HN 0.447 nan 8.290 nan 0.000 0.545 417 R N 0.361 120.914 120.500 0.088 0.000 2.096 417 R HA 0.053 4.410 4.340 0.030 0.000 0.235 417 R C 2.657 179.014 176.300 0.094 0.000 1.127 417 R CA 0.615 56.767 56.100 0.088 0.000 0.968 417 R CB -1.190 29.158 30.300 0.079 0.000 0.861 417 R HN 0.411 nan 8.270 nan 0.000 0.440 418 L N 0.330 121.559 121.223 0.009 0.000 2.046 418 L HA -0.114 4.244 4.340 0.030 0.000 0.208 418 L C 2.642 179.553 176.870 0.069 0.000 1.077 418 L CA 1.375 56.182 54.840 -0.054 0.000 0.747 418 L CB -0.621 41.317 42.059 -0.201 0.000 0.896 418 L HN 0.154 nan 8.230 nan 0.000 0.432 419 A N -0.032 122.845 122.820 0.094 0.000 1.898 419 A HA -0.109 4.228 4.320 0.030 0.000 0.216 419 A C 2.559 180.191 177.584 0.080 0.000 1.181 419 A CA 1.469 53.562 52.037 0.093 0.000 0.620 419 A CB -0.728 18.346 19.000 0.125 0.000 0.819 419 A HN 0.368 nan 8.150 nan 0.000 0.442 420 A N -0.782 122.092 122.820 0.089 0.000 1.917 420 A HA -0.221 4.117 4.320 0.030 0.000 0.219 420 A C 1.844 179.483 177.584 0.093 0.000 1.182 420 A CA 1.867 53.951 52.037 0.078 0.000 0.633 420 A CB -0.421 18.629 19.000 0.082 0.000 0.819 420 A HN 0.600 nan 8.150 nan 0.000 0.448 421 Q N -1.792 118.095 119.800 0.146 0.000 2.237 421 Q HA 0.410 4.768 4.340 0.030 0.000 0.252 421 Q C 0.846 176.956 176.000 0.184 0.000 0.877 421 Q CA 0.453 56.361 55.803 0.174 0.000 1.011 421 Q CB 0.340 29.231 28.738 0.255 0.000 1.118 421 Q HN 0.843 nan 8.270 nan 0.000 0.458 422 G N -0.343 108.534 108.800 0.128 0.000 2.176 422 G HA2 -0.327 3.650 3.960 0.030 0.000 0.253 422 G HA3 -0.327 3.650 3.960 0.030 0.000 0.253 422 G C 0.393 175.363 174.900 0.117 0.000 0.979 422 G CA -0.063 45.097 45.100 0.100 0.000 0.641 422 G HN 0.600 nan 8.290 nan 0.000 0.530 423 A N -0.237 122.679 122.820 0.160 0.000 2.406 423 A HA 0.687 5.024 4.320 0.030 0.000 0.243 423 A C 0.690 178.310 177.584 0.060 0.000 1.082 423 A CA 0.716 52.826 52.037 0.122 0.000 0.786 423 A CB 0.294 19.339 19.000 0.075 0.000 1.029 423 A HN 0.749 nan 8.150 nan 0.000 0.495 424 R N 0.903 121.434 120.500 0.052 0.000 2.229 424 R HA 0.529 4.887 4.340 0.030 0.000 0.332 424 R C -1.575 174.708 176.300 -0.028 0.000 0.989 424 R CA -0.205 55.891 56.100 -0.006 0.000 0.842 424 R CB 0.788 31.110 30.300 0.037 0.000 1.119 424 R HN 0.487 nan 8.270 nan 0.000 0.456 425 V N 5.510 125.341 119.914 -0.138 0.000 2.495 425 V HA 0.416 4.554 4.120 0.030 0.000 0.298 425 V C -1.052 174.874 176.094 -0.280 0.000 1.031 425 V CA -0.805 61.438 62.300 -0.095 0.000 0.871 425 V CB 1.487 33.332 31.823 0.037 0.000 0.988 425 V HN 0.645 nan 8.190 nan 0.000 0.432 426 Y N 2.231 122.464 120.300 -0.112 0.000 2.393 426 Y HA 0.796 5.364 4.550 0.029 0.000 0.341 426 Y C 0.359 176.289 175.900 0.049 0.000 0.988 426 Y CA -0.543 57.465 58.100 -0.154 0.000 1.078 426 Y CB 2.169 40.166 38.460 -0.772 0.000 1.203 426 Y HN 0.764 nan 8.280 nan 0.000 0.453 427 A N 3.030 126.195 122.820 0.574 0.000 2.380 427 A HA 0.871 5.209 4.320 0.030 0.000 0.315 427 A C -1.848 176.153 177.584 0.695 0.000 1.101 427 A CA -0.715 51.576 52.037 0.423 0.000 0.771 427 A CB 0.993 20.033 19.000 0.067 0.000 1.287 427 A HN 0.752 nan 8.150 nan 0.000 0.436 428 Y N -0.598 119.941 120.300 0.399 0.000 2.562 428 Y HA 0.776 5.344 4.550 0.029 0.000 0.345 428 Y C -1.103 174.932 175.900 0.225 0.000 1.045 428 Y CA -1.488 56.779 58.100 0.278 0.000 1.028 428 Y CB 1.284 39.912 38.460 0.279 0.000 1.297 428 Y HN 0.685 nan 8.280 nan 0.000 0.463 429 I N 3.631 124.456 120.570 0.424 0.000 2.404 429 I HA 0.459 4.647 4.170 0.030 0.000 0.293 429 I C -1.659 174.768 176.117 0.517 0.000 0.992 429 I CA -1.047 60.468 61.300 0.358 0.000 1.149 429 I CB 0.976 39.096 38.000 0.199 0.000 1.315 429 I HN 0.755 nan 8.210 nan 0.000 0.446 430 F N 7.337 127.550 119.950 0.437 0.000 2.391 430 F HA 0.365 4.910 4.527 0.031 0.000 0.359 430 F C 0.723 176.664 175.800 0.235 0.000 1.122 430 F CA 0.108 58.316 58.000 0.347 0.000 1.120 430 F CB 0.887 40.108 39.000 0.368 0.000 1.142 430 F HN 0.581 nan 8.300 nan 0.000 0.483 431 E N 2.482 122.511 120.200 -0.284 0.000 2.490 431 E HA -0.042 4.326 4.350 0.030 0.000 0.209 431 E C -0.525 175.931 176.600 -0.240 0.000 0.971 431 E CA -0.123 56.189 56.400 -0.147 0.000 0.988 431 E CB 0.272 29.925 29.700 -0.079 0.000 1.029 431 E HN 0.567 nan 8.360 nan 0.000 0.496 432 H N 1.610 120.292 119.070 -0.647 0.000 2.800 432 H HA 0.157 4.730 4.556 0.030 0.000 0.291 432 H C -0.203 175.052 175.328 -0.122 0.000 1.076 432 H CA -0.325 55.437 56.048 -0.477 0.000 1.452 432 H CB 0.385 29.666 29.762 -0.801 0.000 1.461 432 H HN -0.157 nan 8.280 nan 0.000 0.488 433 R N 4.276 124.435 120.500 -0.568 0.000 2.298 433 R HA 0.428 4.786 4.340 0.030 0.000 0.310 433 R C -0.535 175.495 176.300 -0.450 0.000 1.068 433 R CA -0.434 55.490 56.100 -0.295 0.000 0.957 433 R CB 0.357 30.567 30.300 -0.150 0.000 1.003 433 R HN 0.799 nan 8.270 nan 0.000 0.454 434 A N 3.187 126.078 122.820 0.119 0.000 2.511 434 A HA 0.025 4.363 4.320 0.030 0.000 0.242 434 A C 1.346 179.075 177.584 0.243 0.000 1.069 434 A CA 0.436 52.755 52.037 0.471 0.000 0.763 434 A CB 0.389 19.791 19.000 0.671 0.000 1.001 434 A HN 1.036 nan 8.150 nan 0.000 0.498 435 S N 1.508 117.400 115.700 0.320 0.000 2.383 435 S HA -0.165 4.323 4.470 0.030 0.000 0.227 435 S C 1.536 176.183 174.600 0.078 0.000 1.026 435 S CA 1.692 59.993 58.200 0.169 0.000 0.981 435 S CB -0.986 62.333 63.200 0.198 0.000 0.818 435 S HN 1.350 nan 8.310 nan 0.000 0.472 436 T N -0.332 114.253 114.554 0.050 0.000 3.215 436 T HA 0.261 4.629 4.350 0.030 0.000 0.254 436 T C 0.396 175.063 174.700 -0.055 0.000 1.149 436 T CA -0.336 61.704 62.100 -0.100 0.000 1.042 436 T CB -0.778 67.870 68.868 -0.367 0.000 0.966 436 T HN 0.323 nan 8.240 nan 0.000 0.534 437 L N 3.439 124.671 121.223 0.016 0.000 2.455 437 L HA 0.289 4.647 4.340 0.030 0.000 0.272 437 L C 1.467 178.317 176.870 -0.033 0.000 1.174 437 L CA 0.499 55.335 54.840 -0.007 0.000 0.869 437 L CB 0.870 42.931 42.059 0.004 0.000 1.130 437 L HN 0.368 nan 8.230 nan 0.000 0.474 438 T N -0.199 114.301 114.554 -0.090 0.000 3.107 438 T HA 0.129 4.496 4.350 0.030 0.000 0.249 438 T C 0.266 174.968 174.700 0.004 0.000 1.096 438 T CA -0.397 61.647 62.100 -0.092 0.000 1.012 438 T CB -0.350 68.387 68.868 -0.218 0.000 0.977 438 T HN 0.459 nan 8.240 nan 0.000 0.527 439 W N 2.945 124.260 121.300 0.025 0.000 2.253 439 W HA 0.478 5.155 4.660 0.029 0.000 0.348 439 W C -2.068 174.378 176.519 -0.123 0.000 1.229 439 W CA -2.287 55.057 57.345 -0.001 0.000 1.335 439 W CB 0.185 29.573 29.460 -0.119 0.000 1.165 439 W HN -0.099 nan 8.180 nan 0.000 0.631 440 P HA 0.015 nan 4.420 nan 0.000 0.272 440 P C 0.693 177.937 177.300 -0.093 0.000 1.240 440 P CA -0.023 63.070 63.100 -0.013 0.000 0.791 440 P CB 0.934 32.658 31.700 0.039 0.000 0.978 441 L N 0.395 121.629 121.223 0.018 0.000 2.079 441 L HA -0.137 4.221 4.340 0.030 0.000 0.210 441 L C 2.517 179.414 176.870 0.044 0.000 1.081 441 L CA 1.732 56.592 54.840 0.032 0.000 0.752 441 L CB -0.856 41.248 42.059 0.076 0.000 0.896 441 L HN 0.640 nan 8.230 nan 0.000 0.433 442 W N -0.430 120.910 121.300 0.067 0.000 2.525 442 W HA -0.129 4.548 4.660 0.028 0.000 0.259 442 W C 1.667 178.241 176.519 0.092 0.000 1.253 442 W CA 0.345 57.733 57.345 0.071 0.000 1.262 442 W CB -0.797 28.709 29.460 0.076 0.000 1.122 442 W HN 0.169 nan 8.180 nan 0.000 0.607 443 M N 1.278 120.506 119.600 -0.620 0.000 2.619 443 M HA 0.119 4.617 4.480 0.030 0.000 0.251 443 M C 1.839 178.027 176.300 -0.187 0.000 1.106 443 M CA 1.408 56.343 55.300 -0.609 0.000 1.086 443 M CB -0.651 31.465 32.600 -0.807 0.000 1.465 443 M HN 0.195 nan 8.290 nan 0.000 0.506 444 G N 0.864 109.617 108.800 -0.077 0.000 2.596 444 G HA2 -0.294 3.684 3.960 0.030 0.000 0.304 444 G HA3 -0.294 3.684 3.960 0.030 0.000 0.304 444 G C -0.078 174.827 174.900 0.008 0.000 1.189 444 G CA -0.057 45.044 45.100 0.002 0.000 0.986 444 G HN 0.259 nan 8.290 nan 0.000 0.548 445 V N 3.528 123.485 119.914 0.072 0.000 2.275 445 V HA 0.488 4.626 4.120 0.030 0.000 0.272 445 V C -1.942 174.262 176.094 0.183 0.000 1.028 445 V CA -0.871 61.523 62.300 0.157 0.000 0.810 445 V CB 1.258 33.224 31.823 0.238 0.000 1.043 445 V HN 0.520 nan 8.190 nan 0.000 0.453 446 P HA 0.196 nan 4.420 nan 0.000 0.276 446 P C -0.236 177.219 177.300 0.259 0.000 1.244 446 P CA -0.492 62.685 63.100 0.129 0.000 0.801 446 P CB 0.379 32.045 31.700 -0.056 0.000 1.006 447 H N 0.888 119.950 119.070 -0.012 0.000 3.167 447 H HA 0.214 4.787 4.556 0.029 0.000 0.306 447 H C 1.512 176.650 175.328 -0.316 0.000 0.965 447 H CA 2.340 58.302 56.048 -0.143 0.000 1.408 447 H CB -0.610 28.975 29.762 -0.295 0.000 1.406 447 H HN 0.752 nan 8.280 nan 0.000 0.576 448 G N 3.418 111.862 108.800 -0.594 0.000 2.259 448 G HA2 -0.292 3.685 3.960 0.030 0.000 0.217 448 G HA3 -0.292 3.685 3.960 0.030 0.000 0.217 448 G C 0.452 175.099 174.900 -0.421 0.000 1.001 448 G CA 0.215 44.939 45.100 -0.627 0.000 0.627 448 G HN 0.625 nan 8.290 nan 0.000 0.501 449 Y N 2.040 122.404 120.300 0.107 0.000 2.537 449 Y HA 0.306 4.874 4.550 0.030 0.000 0.303 449 Y C 2.183 178.183 175.900 0.168 0.000 1.176 449 Y CA 0.830 59.062 58.100 0.221 0.000 1.273 449 Y CB 0.374 39.011 38.460 0.295 0.000 1.110 449 Y HN 0.507 nan 8.280 nan 0.000 0.518 450 E N -0.209 119.914 120.200 -0.129 0.000 2.389 450 E HA -0.015 4.353 4.350 0.030 0.000 0.199 450 E C 1.522 177.978 176.600 -0.240 0.000 0.978 450 E CA 0.493 56.519 56.400 -0.624 0.000 0.912 450 E CB -0.370 28.614 29.700 -1.194 0.000 0.907 450 E HN 0.539 nan 8.360 nan 0.000 0.494 451 I N 3.111 123.634 120.570 -0.079 0.000 2.226 451 I HA -0.294 3.893 4.170 0.030 0.000 0.245 451 I C 2.749 178.853 176.117 -0.022 0.000 1.100 451 I CA 2.061 63.375 61.300 0.024 0.000 1.374 451 I CB -0.434 37.672 38.000 0.177 0.000 1.057 451 I HN 0.202 nan 8.210 nan 0.000 0.413 452 E N 1.215 121.343 120.200 -0.119 0.000 2.118 452 E HA -0.246 4.122 4.350 0.030 0.000 0.195 452 E C 2.096 178.424 176.600 -0.452 0.000 0.992 452 E CA 1.579 57.801 56.400 -0.296 0.000 0.804 452 E CB -0.612 28.886 29.700 -0.337 0.000 0.741 452 E HN 0.442 nan 8.360 nan 0.000 0.458 453 F N 1.427 121.223 119.950 -0.256 0.000 2.128 453 F HA -0.066 4.479 4.527 0.030 0.000 0.295 453 F C 2.455 177.976 175.800 -0.467 0.000 1.100 453 F CA 0.612 58.385 58.000 -0.378 0.000 1.260 453 F CB -0.241 38.569 39.000 -0.318 0.000 1.009 453 F HN -0.044 nan 8.300 nan 0.000 0.476 454 I N -0.676 119.686 120.570 -0.347 0.000 2.208 454 I HA -0.304 3.884 4.170 0.030 0.000 0.245 454 I C 2.233 178.054 176.117 -0.494 0.000 1.097 454 I CA 1.721 62.641 61.300 -0.633 0.000 1.363 454 I CB -1.497 35.975 38.000 -0.880 0.000 1.051 454 I HN 0.099 nan 8.210 nan 0.000 0.413 455 F N 0.857 120.599 119.950 -0.346 0.000 2.558 455 F HA 0.143 4.688 4.527 0.029 0.000 0.298 455 F C 1.808 177.468 175.800 -0.234 0.000 1.119 455 F CA 0.997 58.844 58.000 -0.254 0.000 1.451 455 F CB -0.121 38.719 39.000 -0.265 0.000 1.091 455 F HN 0.306 nan 8.300 nan 0.000 0.563 456 G N 0.124 108.769 108.800 -0.258 0.000 2.164 456 G HA2 -0.228 3.750 3.960 0.030 0.000 0.212 456 G HA3 -0.228 3.750 3.960 0.030 0.000 0.212 456 G C 0.918 175.223 174.900 -0.991 0.000 1.031 456 G CA 0.157 44.985 45.100 -0.453 0.000 0.730 456 G HN 0.317 nan 8.290 nan 0.000 0.501 457 L N -0.560 120.146 121.223 -0.861 0.000 2.109 457 L HA -0.015 4.343 4.340 0.030 0.000 0.207 457 L C 0.150 176.594 176.870 -0.711 0.000 1.086 457 L CA 1.792 56.085 54.840 -0.911 0.000 0.760 457 L CB -1.195 40.594 42.059 -0.450 0.000 0.910 457 L HN 0.161 nan 8.230 nan 0.000 0.437 458 P HA -0.161 nan 4.420 nan 0.000 0.223 458 P C 1.751 178.910 177.300 -0.235 0.000 1.144 458 P CA 1.124 63.893 63.100 -0.551 0.000 0.783 458 P CB 0.031 31.317 31.700 -0.690 0.000 0.771 459 L N -1.378 119.626 121.223 -0.365 0.000 2.456 459 L HA -0.080 4.278 4.340 0.030 0.000 0.224 459 L C 0.925 177.761 176.870 -0.057 0.000 1.148 459 L CA 0.766 55.491 54.840 -0.192 0.000 0.825 459 L CB -0.647 41.303 42.059 -0.182 0.000 0.937 459 L HN -0.062 nan 8.230 nan 0.000 0.450 460 D N -0.387 119.969 120.400 -0.075 0.000 2.380 460 D HA 0.123 4.781 4.640 0.030 0.000 0.230 460 D C -1.659 174.673 176.300 0.054 0.000 1.154 460 D CA -2.315 51.732 54.000 0.077 0.000 0.859 460 D CB 1.380 42.274 40.800 0.157 0.000 1.045 460 D HN -0.123 nan 8.370 nan 0.000 0.495 461 P HA -0.132 nan 4.420 nan 0.000 0.218 461 P C 1.288 178.597 177.300 0.015 0.000 1.149 461 P CA 0.855 63.976 63.100 0.034 0.000 0.817 461 P CB 0.042 31.759 31.700 0.027 0.000 0.785 462 S N -1.094 114.614 115.700 0.013 0.000 2.528 462 S HA -0.097 4.391 4.470 0.030 0.000 0.244 462 S C 1.555 176.131 174.600 -0.041 0.000 0.982 462 S CA 0.907 59.101 58.200 -0.010 0.000 0.953 462 S CB -1.407 61.792 63.200 -0.002 0.000 0.754 462 S HN 0.124 nan 8.310 nan 0.000 0.529 463 L N 0.334 121.531 121.223 -0.044 0.000 2.585 463 L HA 0.269 4.627 4.340 0.030 0.000 0.226 463 L C 0.154 176.877 176.870 -0.246 0.000 1.113 463 L CA -0.154 54.603 54.840 -0.138 0.000 0.876 463 L CB -0.429 41.568 42.059 -0.103 0.000 1.072 463 L HN 0.187 nan 8.230 nan 0.000 0.468 464 N N -1.143 117.482 118.700 -0.125 0.000 2.747 464 N HA -0.237 4.521 4.740 0.030 0.000 0.249 464 N C -0.713 174.729 175.510 -0.113 0.000 1.107 464 N CA 0.780 53.767 53.050 -0.106 0.000 0.707 464 N CB -1.878 36.539 38.487 -0.116 0.000 1.054 464 N HN 0.224 nan 8.380 nan 0.000 0.555 465 Y N 0.913 121.201 120.300 -0.021 0.000 2.309 465 Y HA 0.188 4.756 4.550 0.029 0.000 0.327 465 Y C 1.701 177.623 175.900 0.036 0.000 1.172 465 Y CA -0.345 57.763 58.100 0.013 0.000 1.280 465 Y CB 0.638 39.086 38.460 -0.020 0.000 1.234 465 Y HN 0.112 nan 8.280 nan 0.000 0.512 466 T N -1.555 113.152 114.554 0.255 0.000 2.932 466 T HA -0.050 4.318 4.350 0.030 0.000 0.312 466 T C 1.440 176.217 174.700 0.129 0.000 1.071 466 T CA 0.090 62.284 62.100 0.156 0.000 1.128 466 T CB 1.058 70.012 68.868 0.144 0.000 0.984 466 T HN 0.872 nan 8.240 nan 0.000 0.549 467 T N 1.120 115.722 114.554 0.080 0.000 2.778 467 T HA -0.182 4.186 4.350 0.030 0.000 0.269 467 T C 1.562 176.290 174.700 0.047 0.000 1.050 467 T CA 2.129 64.262 62.100 0.055 0.000 1.137 467 T CB -0.562 68.327 68.868 0.036 0.000 0.860 467 T HN 0.810 nan 8.240 nan 0.000 0.468 468 E N 0.579 120.807 120.200 0.045 0.000 2.106 468 E HA -0.052 4.316 4.350 0.030 0.000 0.192 468 E C 2.334 178.950 176.600 0.026 0.000 0.984 468 E CA 1.302 57.711 56.400 0.015 0.000 0.806 468 E CB -0.108 29.584 29.700 -0.013 0.000 0.750 468 E HN 0.678 nan 8.360 nan 0.000 0.458 469 E N 0.175 120.427 120.200 0.087 0.000 2.150 469 E HA -0.130 4.238 4.350 0.030 0.000 0.193 469 E C 2.018 178.706 176.600 0.146 0.000 0.985 469 E CA 0.402 56.911 56.400 0.181 0.000 0.814 469 E CB 0.019 29.940 29.700 0.369 0.000 0.752 469 E HN 0.010 nan 8.360 nan 0.000 0.466 470 R N 0.731 121.270 120.500 0.066 0.000 2.237 470 R HA -0.061 4.297 4.340 0.030 0.000 0.219 470 R C 1.782 178.075 176.300 -0.011 0.000 1.080 470 R CA 0.703 56.799 56.100 -0.008 0.000 0.995 470 R CB 0.011 30.313 30.300 0.003 0.000 0.875 470 R HN 0.250 nan 8.270 nan 0.000 0.462 471 I N -0.612 119.973 120.570 0.025 0.000 2.628 471 I HA -0.155 4.033 4.170 0.030 0.000 0.255 471 I C 1.910 178.049 176.117 0.036 0.000 1.119 471 I CA 0.170 61.478 61.300 0.014 0.000 1.448 471 I CB -0.252 37.758 38.000 0.016 0.000 1.133 471 I HN 0.005 nan 8.210 nan 0.000 0.438 472 F N 2.297 122.172 119.950 -0.125 0.000 2.095 472 F HA -0.245 4.300 4.527 0.031 0.000 0.298 472 F C 2.425 178.153 175.800 -0.120 0.000 1.104 472 F CA 1.428 59.329 58.000 -0.166 0.000 1.232 472 F CB -0.726 38.098 39.000 -0.293 0.000 0.987 472 F HN 0.030 nan 8.300 nan 0.000 0.475 473 A N 0.521 123.226 122.820 -0.193 0.000 1.892 473 A HA -0.269 4.068 4.320 0.030 0.000 0.218 473 A C 2.158 179.581 177.584 -0.270 0.000 1.188 473 A CA 2.000 53.872 52.037 -0.275 0.000 0.631 473 A CB -1.021 17.862 19.000 -0.195 0.000 0.822 473 A HN 0.632 nan 8.150 nan 0.000 0.447 474 Q N -0.994 118.699 119.800 -0.179 0.000 2.112 474 Q HA -0.246 4.112 4.340 0.030 0.000 0.206 474 Q C 2.359 178.237 176.000 -0.204 0.000 0.987 474 Q CA 1.756 57.467 55.803 -0.153 0.000 0.858 474 Q CB -0.266 28.415 28.738 -0.095 0.000 0.905 474 Q HN 0.685 nan 8.270 nan 0.000 0.420 475 R N 0.570 120.924 120.500 -0.244 0.000 2.066 475 R HA -0.073 4.285 4.340 0.030 0.000 0.232 475 R C 2.428 178.370 176.300 -0.598 0.000 1.131 475 R CA 0.853 56.715 56.100 -0.395 0.000 0.955 475 R CB -0.145 29.988 30.300 -0.280 0.000 0.851 475 R HN 0.201 nan 8.270 nan 0.000 0.432 476 L N 0.089 121.049 121.223 -0.438 0.000 2.012 476 L HA -0.233 4.125 4.340 0.030 0.000 0.210 476 L C 2.603 179.382 176.870 -0.152 0.000 1.073 476 L CA 1.505 56.187 54.840 -0.263 0.000 0.748 476 L CB -0.381 41.379 42.059 -0.499 0.000 0.891 476 L HN 0.284 nan 8.230 nan 0.000 0.431 477 M N -0.515 118.940 119.600 -0.241 0.000 2.144 477 M HA -0.272 4.226 4.480 0.030 0.000 0.260 477 M C 2.334 178.617 176.300 -0.028 0.000 1.067 477 M CA 1.787 56.993 55.300 -0.156 0.000 1.095 477 M CB -0.323 32.180 32.600 -0.162 0.000 1.365 477 M HN 0.110 nan 8.290 nan 0.000 0.406 478 K N -0.702 119.648 120.400 -0.084 0.000 2.217 478 K HA -0.126 4.212 4.320 0.030 0.000 0.202 478 K C 1.692 178.359 176.600 0.111 0.000 1.051 478 K CA 1.004 57.270 56.287 -0.035 0.000 0.952 478 K CB 0.115 32.547 32.500 -0.112 0.000 0.736 478 K HN 0.194 nan 8.250 nan 0.000 0.453 479 Y N -0.334 120.096 120.300 0.217 0.000 2.133 479 Y HA -0.213 4.354 4.550 0.029 0.000 0.287 479 Y C 2.157 178.201 175.900 0.240 0.000 1.134 479 Y CA 0.735 59.003 58.100 0.280 0.000 1.133 479 Y CB -0.808 37.964 38.460 0.519 0.000 0.987 479 Y HN 0.188 nan 8.280 nan 0.000 0.502 480 W N 0.708 122.071 121.300 0.105 0.000 2.355 480 W HA -0.229 4.448 4.660 0.029 0.000 0.309 480 W C 2.469 178.984 176.519 -0.006 0.000 1.206 480 W CA 2.231 59.576 57.345 -0.001 0.000 1.284 480 W CB -0.682 28.678 29.460 -0.166 0.000 1.145 480 W HN 0.211 nan 8.180 nan 0.000 0.502 481 T N -1.940 112.717 114.554 0.172 0.000 2.904 481 T HA -0.148 4.220 4.350 0.030 0.000 0.267 481 T C 1.440 176.167 174.700 0.044 0.000 1.059 481 T CA 1.187 63.323 62.100 0.059 0.000 1.137 481 T CB -0.604 68.281 68.868 0.028 0.000 0.879 481 T HN -0.062 nan 8.240 nan 0.000 0.467 482 N N 0.974 119.721 118.700 0.079 0.000 2.084 482 N HA -0.010 4.748 4.740 0.030 0.000 0.190 482 N C 1.403 176.910 175.510 -0.005 0.000 1.030 482 N CA 1.058 54.135 53.050 0.045 0.000 0.849 482 N CB -0.693 37.849 38.487 0.090 0.000 1.012 482 N HN 0.461 nan 8.380 nan 0.000 0.423 483 F N 1.753 121.609 119.950 -0.157 0.000 2.095 483 F HA -0.154 4.392 4.527 0.030 0.000 0.298 483 F C 2.188 177.899 175.800 -0.149 0.000 1.104 483 F CA 1.586 59.436 58.000 -0.251 0.000 1.232 483 F CB -0.612 38.139 39.000 -0.415 0.000 0.987 483 F HN 0.047 nan 8.300 nan 0.000 0.475 484 A N 0.560 123.295 122.820 -0.142 0.000 1.908 484 A HA -0.230 4.108 4.320 0.030 0.000 0.218 484 A C 2.377 179.847 177.584 -0.191 0.000 1.181 484 A CA 1.977 53.906 52.037 -0.181 0.000 0.627 484 A CB -0.809 18.164 19.000 -0.046 0.000 0.818 484 A HN 0.489 nan 8.150 nan 0.000 0.445 485 R N -1.330 119.093 120.500 -0.129 0.000 2.075 485 R HA -0.077 4.281 4.340 0.030 0.000 0.232 485 R C 1.890 178.110 176.300 -0.133 0.000 1.126 485 R CA 1.852 57.891 56.100 -0.100 0.000 0.963 485 R CB -0.163 30.105 30.300 -0.054 0.000 0.858 485 R HN 0.751 nan 8.270 nan 0.000 0.435 486 T N -5.939 108.512 114.554 -0.172 0.000 3.041 486 T HA 0.248 4.616 4.350 0.030 0.000 0.276 486 T C 1.130 175.714 174.700 -0.193 0.000 0.948 486 T CA 0.336 62.350 62.100 -0.145 0.000 0.885 486 T CB 1.403 70.219 68.868 -0.087 0.000 1.175 486 T HN 0.311 nan 8.240 nan 0.000 0.529 487 G N 1.289 109.863 108.800 -0.376 0.000 2.159 487 G HA2 -0.173 3.805 3.960 0.030 0.000 0.256 487 G HA3 -0.173 3.805 3.960 0.030 0.000 0.256 487 G C -0.353 174.454 174.900 -0.154 0.000 0.977 487 G CA 0.207 45.038 45.100 -0.449 0.000 0.652 487 G HN 0.764 nan 8.290 nan 0.000 0.531 488 D N -0.594 119.709 120.400 -0.161 0.000 2.602 488 D HA 0.438 5.096 4.640 0.030 0.000 0.245 488 D C -1.216 174.926 176.300 -0.264 0.000 1.325 488 D CA -1.595 52.273 54.000 -0.220 0.000 0.952 488 D CB 2.009 42.774 40.800 -0.059 0.000 1.317 488 D HN -0.001 nan 8.370 nan 0.000 0.577 489 P HA -0.085 nan 4.420 nan 0.000 0.222 489 P C 0.102 177.402 177.300 -0.001 0.000 1.147 489 P CA 0.296 63.206 63.100 -0.316 0.000 0.790 489 P CB 0.363 31.553 31.700 -0.850 0.000 0.780 490 N N 1.756 120.428 118.700 -0.047 0.000 2.513 490 N HA -0.005 4.753 4.740 0.030 0.000 0.268 490 N C 0.184 175.768 175.510 0.123 0.000 1.180 490 N CA 0.304 53.424 53.050 0.116 0.000 0.948 490 N CB 0.229 38.776 38.487 0.100 0.000 1.083 490 N HN 0.011 nan 8.380 nan 0.000 0.455 491 D N 2.686 123.186 120.400 0.167 0.000 2.426 491 D HA -0.004 4.654 4.640 0.030 0.000 0.261 491 D C -1.153 175.194 176.300 0.078 0.000 1.245 491 D CA -1.012 53.056 54.000 0.114 0.000 0.917 491 D CB 0.861 41.730 40.800 0.115 0.000 1.123 491 D HN 0.349 nan 8.370 nan 0.000 0.508 492 P HA -0.035 nan 4.420 nan 0.000 0.233 492 P C 0.853 178.176 177.300 0.038 0.000 1.167 492 P CA 0.609 63.733 63.100 0.040 0.000 0.770 492 P CB 0.657 32.372 31.700 0.025 0.000 0.837 493 R N -1.468 119.055 120.500 0.039 0.000 2.555 493 R HA 0.112 4.470 4.340 0.030 0.000 0.312 493 R C 0.341 176.664 176.300 0.038 0.000 0.938 493 R CA -0.211 55.910 56.100 0.035 0.000 1.112 493 R CB 0.465 30.781 30.300 0.026 0.000 1.535 493 R HN 0.034 nan 8.270 nan 0.000 0.525 494 D N 0.829 121.257 120.400 0.046 0.000 2.343 494 D HA 0.007 4.665 4.640 0.030 0.000 0.255 494 D C 0.395 176.730 176.300 0.058 0.000 1.187 494 D CA 0.332 54.361 54.000 0.050 0.000 0.875 494 D CB 1.651 42.485 40.800 0.056 0.000 1.136 494 D HN 0.007 nan 8.370 nan 0.000 0.469 495 S N 4.011 119.741 115.700 0.050 0.000 2.269 495 S HA -0.093 4.395 4.470 0.030 0.000 0.167 495 S C 0.845 175.481 174.600 0.059 0.000 1.319 495 S CA 0.418 58.649 58.200 0.051 0.000 2.086 495 S CB 0.029 63.254 63.200 0.041 0.000 0.582 495 S HN 0.537 nan 8.310 nan 0.000 0.360 496 K N 2.358 122.789 120.400 0.051 0.000 2.121 496 K HA 0.143 4.481 4.320 0.030 0.000 0.235 496 K C -0.812 175.823 176.600 0.057 0.000 1.200 496 K CA -0.216 56.103 56.287 0.053 0.000 1.115 496 K CB -0.674 31.850 32.500 0.041 0.000 1.474 496 K HN 0.479 nan 8.250 nan 0.000 0.295 497 S N 2.868 118.613 115.700 0.076 0.000 2.578 497 S HA 0.442 4.930 4.470 0.030 0.000 0.283 497 S C -2.543 172.113 174.600 0.093 0.000 1.195 497 S CA -1.728 56.525 58.200 0.088 0.000 1.050 497 S CB 1.220 64.492 63.200 0.120 0.000 1.012 497 S HN 0.347 nan 8.310 nan 0.000 0.511 498 P HA 0.140 nan 4.420 nan 0.000 0.268 498 P C -0.507 176.854 177.300 0.102 0.000 1.204 498 P CA -0.160 62.983 63.100 0.072 0.000 0.768 498 P CB 0.316 32.042 31.700 0.043 0.000 0.842 499 Q N 1.379 121.247 119.800 0.113 0.000 2.340 499 Q HA 0.096 4.454 4.340 0.030 0.000 0.249 499 Q C -0.417 175.716 176.000 0.222 0.000 0.957 499 Q CA 0.067 55.970 55.803 0.165 0.000 0.882 499 Q CB 0.850 29.678 28.738 0.149 0.000 1.235 499 Q HN 0.550 nan 8.270 nan 0.000 0.439 500 W N 6.268 127.601 121.300 0.055 0.000 2.416 500 W HA 0.260 4.939 4.660 0.032 0.000 0.318 500 W C -2.428 174.208 176.519 0.195 0.000 1.150 500 W CA -2.418 54.971 57.345 0.074 0.000 1.392 500 W CB 0.242 29.681 29.460 -0.035 0.000 1.311 500 W HN 0.381 nan 8.180 nan 0.000 0.436 501 P HA 0.299 nan 4.420 nan 0.000 0.282 501 P C -2.648 174.840 177.300 0.313 0.000 1.249 501 P CA -1.905 61.404 63.100 0.348 0.000 0.806 501 P CB 0.863 32.683 31.700 0.200 0.000 0.984 502 P HA 0.074 nan 4.420 nan 0.000 0.268 502 P C -0.543 176.739 177.300 -0.029 0.000 1.205 502 P CA 0.058 62.966 63.100 -0.320 0.000 0.771 502 P CB 0.027 31.490 31.700 -0.396 0.000 0.858 503 Y N 3.288 123.534 120.300 -0.090 0.000 2.544 503 Y HA 0.222 4.790 4.550 0.029 0.000 0.330 503 Y C 0.561 176.445 175.900 -0.027 0.000 1.136 503 Y CA 0.861 58.969 58.100 0.013 0.000 1.417 503 Y CB 0.132 38.621 38.460 0.048 0.000 1.229 503 Y HN 0.378 nan 8.280 nan 0.000 0.532 504 T N 0.307 114.588 114.554 -0.455 0.000 2.906 504 T HA 0.235 4.603 4.350 0.030 0.000 0.295 504 T C 0.888 175.289 174.700 -0.498 0.000 1.061 504 T CA -0.224 61.684 62.100 -0.320 0.000 1.000 504 T CB 1.397 70.163 68.868 -0.170 0.000 1.103 504 T HN 0.643 nan 8.240 nan 0.000 0.486 505 T N -0.456 113.948 114.554 -0.251 0.000 2.915 505 T HA 0.038 4.406 4.350 0.030 0.000 0.269 505 T C 2.184 176.805 174.700 -0.132 0.000 1.071 505 T CA 0.908 62.907 62.100 -0.169 0.000 1.132 505 T CB -0.737 68.114 68.868 -0.029 0.000 0.878 505 T HN 0.867 nan 8.240 nan 0.000 0.479 506 A N 2.256 125.009 122.820 -0.112 0.000 1.824 506 A HA 0.364 4.702 4.320 0.030 0.000 0.215 506 A C 2.846 180.381 177.584 -0.081 0.000 1.209 506 A CA 1.964 53.958 52.037 -0.071 0.000 0.614 506 A CB -1.532 17.436 19.000 -0.052 0.000 0.852 506 A HN 0.728 nan 8.150 nan 0.000 0.447 507 A N -2.615 120.141 122.820 -0.106 0.000 1.898 507 A HA 0.085 4.423 4.320 0.030 0.000 0.214 507 A C 1.186 178.710 177.584 -0.101 0.000 1.183 507 A CA 1.426 53.414 52.037 -0.081 0.000 0.622 507 A CB -0.396 18.567 19.000 -0.063 0.000 0.824 507 A HN 0.661 nan 8.150 nan 0.000 0.444 508 Q N -0.950 118.691 119.800 -0.265 0.000 2.493 508 Q HA -0.173 4.184 4.340 0.030 0.000 0.278 508 Q C -0.886 175.167 176.000 0.088 0.000 1.216 508 Q CA 0.557 56.160 55.803 -0.332 0.000 0.875 508 Q CB -1.802 26.911 28.738 -0.041 0.000 1.262 508 Q HN 0.870 nan 8.270 nan 0.000 0.468 509 Q N 0.503 120.349 119.800 0.075 0.000 2.286 509 Q HA 0.455 4.813 4.340 0.030 0.000 0.257 509 Q C -0.264 176.002 176.000 0.444 0.000 0.941 509 Q CA 0.052 55.964 55.803 0.181 0.000 0.912 509 Q CB 0.529 29.321 28.738 0.089 0.000 1.192 509 Q HN 0.327 nan 8.270 nan 0.000 0.410 510 Y N -1.038 119.412 120.300 0.250 0.000 2.790 510 Y HA 0.796 5.363 4.550 0.028 0.000 0.323 510 Y C -0.643 175.277 175.900 0.034 0.000 1.230 510 Y CA -1.511 56.725 58.100 0.227 0.000 1.121 510 Y CB 0.463 39.036 38.460 0.190 0.000 1.328 510 Y HN 0.338 nan 8.280 nan 0.000 0.514 511 V N -1.011 118.907 119.914 0.007 0.000 2.914 511 V HA 0.782 4.919 4.120 0.030 0.000 0.314 511 V C -0.386 175.693 176.094 -0.026 0.000 1.084 511 V CA -0.649 61.489 62.300 -0.270 0.000 0.963 511 V CB 1.334 32.698 31.823 -0.764 0.000 1.025 511 V HN 1.196 nan 8.190 nan 0.000 0.432 512 S N 3.675 119.341 115.700 -0.057 0.000 2.452 512 S HA 0.644 5.132 4.470 0.030 0.000 0.284 512 S C -0.429 174.155 174.600 -0.027 0.000 1.171 512 S CA -0.595 57.622 58.200 0.028 0.000 1.064 512 S CB 0.254 63.460 63.200 0.009 0.000 0.967 512 S HN 0.773 nan 8.310 nan 0.000 0.484 513 L N 4.823 126.075 121.223 0.048 0.000 2.261 513 L HA 0.483 4.841 4.340 0.030 0.000 0.289 513 L C 0.064 176.866 176.870 -0.113 0.000 1.059 513 L CA -0.363 54.538 54.840 0.102 0.000 0.816 513 L CB -0.232 41.993 42.059 0.277 0.000 1.191 513 L HN 0.941 nan 8.230 nan 0.000 0.431 514 N N 2.356 120.912 118.700 -0.240 0.000 3.449 514 N HA 0.278 5.036 4.740 0.030 0.000 0.312 514 N C 0.049 175.020 175.510 -0.898 0.000 1.557 514 N CA -0.898 51.722 53.050 -0.717 0.000 0.864 514 N CB 0.577 38.821 38.487 -0.405 0.000 1.799 514 N HN 0.177 nan 8.380 nan 0.000 0.554 515 L N -0.549 120.189 121.223 -0.807 0.000 2.179 515 L HA 0.151 4.508 4.340 0.030 0.000 0.208 515 L C 0.482 177.179 176.870 -0.288 0.000 1.096 515 L CA 0.801 55.273 54.840 -0.613 0.000 0.779 515 L CB -0.362 41.415 42.059 -0.470 0.000 0.922 515 L HN 0.367 nan 8.230 nan 0.000 0.443 516 K N 0.763 121.035 120.400 -0.214 0.000 2.355 516 K HA 0.184 4.522 4.320 0.030 0.000 0.270 516 K C -2.181 174.368 176.600 -0.084 0.000 1.003 516 K CA -1.807 54.410 56.287 -0.117 0.000 0.957 516 K CB -0.227 32.218 32.500 -0.092 0.000 0.939 516 K HN -0.172 nan 8.250 nan 0.000 0.482 517 P HA -0.076 nan 4.420 nan 0.000 0.270 517 P C 0.055 177.354 177.300 -0.001 0.000 1.221 517 P CA -0.100 63.003 63.100 0.006 0.000 0.788 517 P CB 0.397 32.105 31.700 0.014 0.000 0.904 518 L N 1.131 122.372 121.223 0.030 0.000 2.573 518 L HA -0.071 4.286 4.340 0.030 0.000 0.290 518 L C 1.014 177.853 176.870 -0.052 0.000 1.247 518 L CA 1.136 55.961 54.840 -0.026 0.000 0.876 518 L CB -0.144 41.896 42.059 -0.032 0.000 1.123 518 L HN 0.531 nan 8.230 nan 0.000 0.505 519 E N 2.217 122.360 120.200 -0.095 0.000 2.263 519 E HA 0.375 4.743 4.350 0.030 0.000 0.268 519 E C -1.576 174.937 176.600 -0.146 0.000 0.884 519 E CA -0.722 55.623 56.400 -0.092 0.000 0.766 519 E CB 2.111 31.766 29.700 -0.075 0.000 1.196 519 E HN 0.286 nan 8.360 nan 0.000 0.416 520 V N 4.947 124.783 119.914 -0.130 0.000 2.406 520 V HA 0.446 4.584 4.120 0.030 0.000 0.272 520 V C 0.301 176.255 176.094 -0.235 0.000 1.043 520 V CA -0.337 61.858 62.300 -0.174 0.000 0.915 520 V CB 0.849 32.621 31.823 -0.084 0.000 0.988 520 V HN 0.636 nan 8.190 nan 0.000 0.466 521 R N 3.832 124.053 120.500 -0.465 0.000 2.873 521 R HA 0.765 5.123 4.340 0.030 0.000 0.264 521 R C -0.711 175.272 176.300 -0.528 0.000 1.026 521 R CA -1.023 54.763 56.100 -0.523 0.000 1.002 521 R CB 2.389 32.259 30.300 -0.717 0.000 1.174 521 R HN 0.594 nan 8.270 nan 0.000 0.488 522 R N -0.224 120.171 120.500 -0.174 0.000 2.599 522 R HA 0.465 4.822 4.340 0.030 0.000 0.295 522 R C -0.835 175.625 176.300 0.268 0.000 0.963 522 R CA -0.440 55.690 56.100 0.050 0.000 0.883 522 R CB 2.238 32.556 30.300 0.031 0.000 1.171 522 R HN 0.888 nan 8.270 nan 0.000 0.450 523 G N 2.334 111.368 108.800 0.390 0.000 3.429 523 G HA2 -0.211 3.767 3.960 0.030 0.000 0.605 523 G HA3 -0.211 3.767 3.960 0.030 0.000 0.605 523 G C -1.143 174.012 174.900 0.426 0.000 0.973 523 G CA -0.867 44.449 45.100 0.360 0.000 0.774 523 G HN 0.351 nan 8.290 nan 0.000 0.422 524 L N 4.403 125.773 121.223 0.245 0.000 2.302 524 L HA 0.539 4.897 4.340 0.030 0.000 0.285 524 L C 1.515 178.409 176.870 0.041 0.000 1.090 524 L CA -0.551 54.236 54.840 -0.089 0.000 0.866 524 L CB -0.106 41.802 42.059 -0.251 0.000 1.244 524 L HN 0.695 nan 8.230 nan 0.000 0.435 525 R N 3.086 123.640 120.500 0.091 0.000 3.251 525 R HA -0.276 4.082 4.340 0.030 0.000 0.249 525 R C 1.320 177.726 176.300 0.176 0.000 0.949 525 R CA 0.717 56.909 56.100 0.154 0.000 0.645 525 R CB -2.292 28.113 30.300 0.174 0.000 1.065 525 R HN 0.774 nan 8.270 nan 0.000 0.452 526 A N 0.973 123.896 122.820 0.172 0.000 1.859 526 A HA -0.294 4.043 4.320 0.030 0.000 0.218 526 A C 2.076 179.756 177.584 0.159 0.000 1.209 526 A CA 1.622 53.757 52.037 0.163 0.000 0.639 526 A CB -0.176 18.915 19.000 0.151 0.000 0.835 526 A HN 0.466 nan 8.150 nan 0.000 0.450 527 Q N -0.762 119.130 119.800 0.153 0.000 2.050 527 Q HA -0.120 4.238 4.340 0.030 0.000 0.202 527 Q C 2.257 178.368 176.000 0.186 0.000 0.980 527 Q CA 2.130 58.023 55.803 0.152 0.000 0.840 527 Q CB -1.338 27.483 28.738 0.138 0.000 0.898 527 Q HN 0.696 nan 8.270 nan 0.000 0.424 528 T N 0.627 115.318 114.554 0.228 0.000 2.821 528 T HA -0.099 4.269 4.350 0.030 0.000 0.267 528 T C 2.094 177.002 174.700 0.346 0.000 1.046 528 T CA 1.113 63.357 62.100 0.241 0.000 1.139 528 T CB -0.299 68.787 68.868 0.363 0.000 0.871 528 T HN 0.305 nan 8.240 nan 0.000 0.454 529 c N 1.570 120.369 118.600 0.333 0.000 2.457 529 c HA 0.184 4.771 4.570 0.030 0.000 0.278 529 c C 3.171 177.423 174.090 0.269 0.000 1.309 529 c CA 0.113 56.649 56.329 0.346 0.000 1.735 529 c CB -1.387 41.264 42.510 0.235 0.000 1.992 529 c HN 0.652 nan 8.230 nan 0.000 0.493 530 A N 0.555 123.494 122.820 0.199 0.000 1.903 530 A HA -0.294 4.044 4.320 0.030 0.000 0.219 530 A C 1.920 179.588 177.584 0.139 0.000 1.191 530 A CA 2.213 54.340 52.037 0.151 0.000 0.638 530 A CB -1.034 18.041 19.000 0.125 0.000 0.823 530 A HN 0.578 nan 8.150 nan 0.000 0.451 531 F N -0.939 118.979 119.950 -0.054 0.000 2.065 531 F HA -0.228 4.319 4.527 0.033 0.000 0.298 531 F C 1.996 177.723 175.800 -0.121 0.000 1.112 531 F CA 2.051 59.928 58.000 -0.205 0.000 1.212 531 F CB -0.556 38.049 39.000 -0.659 0.000 0.975 531 F HN 0.396 nan 8.300 nan 0.000 0.476 532 W N 0.321 121.590 121.300 -0.051 0.000 2.418 532 W HA -0.104 4.573 4.660 0.028 0.000 0.292 532 W C 2.151 178.624 176.519 -0.078 0.000 1.213 532 W CA 0.954 58.242 57.345 -0.095 0.000 1.283 532 W CB -0.468 29.071 29.460 0.131 0.000 1.119 532 W HN -0.014 nan 8.180 nan 0.000 0.542 533 N N -0.640 118.181 118.700 0.200 0.000 2.387 533 N HA 0.030 4.788 4.740 0.030 0.000 0.176 533 N C 1.543 177.091 175.510 0.064 0.000 1.022 533 N CA 0.944 54.072 53.050 0.129 0.000 0.883 533 N CB -0.248 38.318 38.487 0.132 0.000 1.019 533 N HN 0.145 nan 8.380 nan 0.000 0.435 534 R N -1.493 119.043 120.500 0.060 0.000 2.221 534 R HA 0.230 4.588 4.340 0.030 0.000 0.195 534 R C 1.191 177.525 176.300 0.058 0.000 0.956 534 R CA 0.088 56.224 56.100 0.059 0.000 1.064 534 R CB 0.010 30.363 30.300 0.087 0.000 1.049 534 R HN 0.076 nan 8.270 nan 0.000 0.534 535 F N 1.189 121.036 119.950 -0.171 0.000 2.148 535 F HA 0.043 4.588 4.527 0.031 0.000 0.285 535 F C 1.911 177.545 175.800 -0.276 0.000 1.092 535 F CA 0.638 58.507 58.000 -0.218 0.000 1.218 535 F CB -0.459 38.390 39.000 -0.252 0.000 1.059 535 F HN -0.195 nan 8.300 nan 0.000 0.490 536 L N 1.079 122.002 121.223 -0.498 0.000 2.021 536 L HA -0.182 4.175 4.340 0.030 0.000 0.215 536 L C -0.848 175.821 176.870 -0.335 0.000 1.074 536 L CA 2.324 56.850 54.840 -0.523 0.000 0.760 536 L CB -1.711 40.042 42.059 -0.509 0.000 0.889 536 L HN 0.063 nan 8.230 nan 0.000 0.433 537 P HA -0.223 nan 4.420 nan 0.000 0.213 537 P C 1.433 178.622 177.300 -0.186 0.000 1.170 537 P CA 1.647 64.664 63.100 -0.139 0.000 0.902 537 P CB -0.067 31.586 31.700 -0.077 0.000 0.789 538 K N -1.115 119.148 120.400 -0.227 0.000 2.218 538 K HA -0.174 4.163 4.320 0.030 0.000 0.205 538 K C 1.935 178.349 176.600 -0.310 0.000 1.046 538 K CA 1.066 57.212 56.287 -0.236 0.000 0.933 538 K CB -0.755 31.614 32.500 -0.218 0.000 0.728 538 K HN 0.086 nan 8.250 nan 0.000 0.454 539 L N 0.889 121.831 121.223 -0.468 0.000 2.095 539 L HA -0.074 4.284 4.340 0.030 0.000 0.204 539 L C 1.788 178.514 176.870 -0.239 0.000 1.080 539 L CA 1.396 55.966 54.840 -0.450 0.000 0.759 539 L CB -0.283 41.395 42.059 -0.636 0.000 0.914 539 L HN 0.053 nan 8.230 nan 0.000 0.439 540 L N -0.400 120.705 121.223 -0.197 0.000 2.027 540 L HA -0.066 4.291 4.340 0.030 0.000 0.206 540 L C 1.044 177.858 176.870 -0.094 0.000 1.074 540 L CA 1.058 55.826 54.840 -0.119 0.000 0.745 540 L CB -0.604 41.398 42.059 -0.094 0.000 0.898 540 L HN 0.378 nan 8.230 nan 0.000 0.433 541 S N 0.274 115.915 115.700 -0.098 0.000 2.415 541 S HA 0.695 5.182 4.470 0.030 0.000 0.313 541 S C 0.131 174.687 174.600 -0.074 0.000 1.067 541 S CA -0.402 57.754 58.200 -0.073 0.000 1.099 541 S CB 0.824 63.987 63.200 -0.063 0.000 0.991 541 S HN 0.489 nan 8.310 nan 0.000 0.491 542 A N 0.000 122.784 122.820 -0.060 0.000 2.254 542 A HA 0.000 4.338 4.320 0.030 0.000 0.244 542 A CA 0.000 52.006 52.037 -0.052 0.000 0.836 542 A CB 0.000 18.972 19.000 -0.046 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486