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 1q84_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 PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.625 176.600 0.041 0.000 1.382 4 E CA 0.000 56.419 56.400 0.032 0.000 0.976 4 E CB 0.000 29.718 29.700 0.030 0.000 0.812 5 D N 5.788 126.221 120.400 0.056 0.000 2.359 5 D HA 0.271 4.931 4.640 0.034 0.000 0.230 5 D C -1.574 174.764 176.300 0.064 0.000 1.118 5 D CA -2.285 51.760 54.000 0.076 0.000 0.844 5 D CB 1.636 42.509 40.800 0.122 0.000 1.059 5 D HN 0.270 nan 8.370 nan 0.000 0.493 6 P HA -0.089 nan 4.420 nan 0.000 0.230 6 P C 0.953 178.262 177.300 0.015 0.000 1.158 6 P CA 0.563 63.677 63.100 0.023 0.000 0.769 6 P CB 0.580 32.282 31.700 0.003 0.000 0.807 7 Q N -0.261 119.531 119.800 -0.013 0.000 2.297 7 Q HA 0.049 4.409 4.340 0.034 0.000 0.204 7 Q C 1.962 178.040 176.000 0.131 0.000 0.962 7 Q CA 0.880 56.660 55.803 -0.039 0.000 0.879 7 Q CB -0.288 28.256 28.738 -0.323 0.000 0.947 7 Q HN 0.427 nan 8.270 nan 0.000 0.462 8 L N 0.023 121.337 121.223 0.152 0.000 2.592 8 L HA 0.199 4.560 4.340 0.034 0.000 0.227 8 L C 0.577 177.622 176.870 0.293 0.000 1.127 8 L CA -0.051 54.915 54.840 0.210 0.000 0.884 8 L CB 0.190 42.303 42.059 0.090 0.000 1.065 8 L HN 0.011 nan 8.230 nan 0.000 0.457 9 L N 0.975 122.313 121.223 0.191 0.000 2.287 9 L HA 0.520 4.881 4.340 0.034 0.000 0.287 9 L C -0.893 176.004 176.870 0.045 0.000 1.022 9 L CA -0.393 54.527 54.840 0.135 0.000 0.814 9 L CB 2.060 44.163 42.059 0.072 0.000 1.217 9 L HN -0.199 nan 8.230 nan 0.000 0.420 10 V N 3.992 123.895 119.914 -0.019 0.000 2.789 10 V HA 0.481 4.621 4.120 0.034 0.000 0.311 10 V C -0.377 175.628 176.094 -0.149 0.000 1.073 10 V CA -0.842 61.312 62.300 -0.243 0.000 0.921 10 V CB 2.352 33.742 31.823 -0.720 0.000 1.009 10 V HN 0.680 nan 8.190 nan 0.000 0.426 11 R N 2.839 123.233 120.500 -0.178 0.000 2.246 11 R HA 0.696 5.057 4.340 0.034 0.000 0.332 11 R C -0.589 175.620 176.300 -0.152 0.000 0.974 11 R CA -0.332 55.702 56.100 -0.109 0.000 0.837 11 R CB 1.390 31.632 30.300 -0.097 0.000 1.145 11 R HN 0.743 nan 8.270 nan 0.000 0.467 12 V N 1.974 121.850 119.914 -0.063 0.000 3.336 12 V HA 0.424 4.564 4.120 0.034 0.000 0.314 12 V C 1.256 177.278 176.094 -0.120 0.000 1.088 12 V CA -0.780 61.482 62.300 -0.063 0.000 1.033 12 V CB 1.593 33.513 31.823 0.163 0.000 1.181 12 V HN 0.777 nan 8.190 nan 0.000 0.449 13 R N 1.230 121.640 120.500 -0.150 0.000 2.127 13 R HA -0.066 4.294 4.340 0.034 0.000 0.238 13 R C 1.961 178.111 176.300 -0.250 0.000 1.134 13 R CA 1.628 57.627 56.100 -0.168 0.000 0.975 13 R CB -0.919 29.299 30.300 -0.138 0.000 0.865 13 R HN 0.981 nan 8.270 nan 0.000 0.447 14 G N -0.420 108.166 108.800 -0.357 0.000 2.985 14 G HA2 0.306 4.287 3.960 0.034 0.000 0.209 14 G HA3 0.306 4.287 3.960 0.034 0.000 0.209 14 G C 0.481 174.472 174.900 -1.515 0.000 1.165 14 G CA 0.556 45.181 45.100 -0.792 0.000 0.776 14 G HN 0.607 nan 8.290 nan 0.000 0.541 15 G N -0.962 107.263 108.800 -0.958 0.000 2.278 15 G HA2 0.077 4.058 3.960 0.034 0.000 0.265 15 G HA3 0.077 4.058 3.960 0.034 0.000 0.265 15 G C -1.208 173.683 174.900 -0.015 0.000 1.329 15 G CA -0.905 43.785 45.100 -0.684 0.000 1.017 15 G HN 0.226 nan 8.290 nan 0.000 0.472 16 Q N -0.278 119.684 119.800 0.271 0.000 2.222 16 Q HA 0.695 5.056 4.340 0.034 0.000 0.252 16 Q C -0.530 175.747 176.000 0.461 0.000 0.926 16 Q CA -0.316 55.672 55.803 0.309 0.000 0.899 16 Q CB 2.042 30.890 28.738 0.183 0.000 1.250 16 Q HN 0.470 nan 8.270 nan 0.000 0.441 17 L N 1.356 122.760 121.223 0.302 0.000 2.370 17 L HA 0.603 4.963 4.340 0.034 0.000 0.266 17 L C -0.321 176.702 176.870 0.255 0.000 1.002 17 L CA -0.757 54.252 54.840 0.283 0.000 0.818 17 L CB 2.287 44.540 42.059 0.325 0.000 1.325 17 L HN 0.392 nan 8.230 nan 0.000 0.418 18 R N 0.754 121.387 120.500 0.222 0.000 2.393 18 R HA 0.642 5.002 4.340 0.034 0.000 0.315 18 R C -0.353 176.045 176.300 0.164 0.000 0.952 18 R CA -0.312 55.903 56.100 0.191 0.000 0.842 18 R CB 1.898 32.255 30.300 0.095 0.000 1.163 18 R HN 0.850 nan 8.270 nan 0.000 0.450 19 G N 3.206 112.073 108.800 0.111 0.000 2.671 19 G HA2 0.502 4.482 3.960 0.034 0.000 0.275 19 G HA3 0.502 4.482 3.960 0.034 0.000 0.275 19 G C -0.992 173.754 174.900 -0.257 0.000 1.368 19 G CA -0.659 44.266 45.100 -0.292 0.000 1.044 19 G HN 0.575 nan 8.290 nan 0.000 0.543 20 I N -0.863 119.497 120.570 -0.350 0.000 2.647 20 I HA 0.559 4.750 4.170 0.034 0.000 0.295 20 I C -0.227 175.769 176.117 -0.202 0.000 1.078 20 I CA -1.223 59.948 61.300 -0.216 0.000 1.048 20 I CB 2.148 40.030 38.000 -0.196 0.000 1.239 20 I HN 0.527 nan 8.210 nan 0.000 0.421 21 R N 7.699 128.121 120.500 -0.129 0.000 2.234 21 R HA 0.566 4.927 4.340 0.034 0.000 0.324 21 R C -1.827 174.386 176.300 -0.145 0.000 1.054 21 R CA -0.300 55.718 56.100 -0.137 0.000 0.912 21 R CB 0.660 30.836 30.300 -0.207 0.000 1.030 21 R HN 0.679 nan 8.270 nan 0.000 0.455 22 L N 3.669 124.820 121.223 -0.120 0.000 2.334 22 L HA 0.450 4.811 4.340 0.034 0.000 0.272 22 L C -0.196 176.609 176.870 -0.110 0.000 1.020 22 L CA -1.089 53.693 54.840 -0.097 0.000 0.812 22 L CB 1.891 43.924 42.059 -0.044 0.000 1.264 22 L HN 0.628 nan 8.230 nan 0.000 0.439 23 K N 1.877 122.216 120.400 -0.103 0.000 2.227 23 K HA 0.662 5.002 4.320 0.034 0.000 0.280 23 K C -0.802 175.731 176.600 -0.112 0.000 1.041 23 K CA -0.300 55.928 56.287 -0.099 0.000 0.905 23 K CB 1.391 33.845 32.500 -0.077 0.000 1.068 23 K HN 0.671 nan 8.250 nan 0.000 0.470 24 A N 5.300 128.055 122.820 -0.109 0.000 2.322 24 A HA 0.494 4.834 4.320 0.034 0.000 0.327 24 A C -1.984 175.586 177.584 -0.023 0.000 1.134 24 A CA -1.903 50.061 52.037 -0.122 0.000 0.831 24 A CB 0.748 19.648 19.000 -0.167 0.000 1.288 24 A HN 0.696 nan 8.150 nan 0.000 0.472 25 P HA -0.191 nan 4.420 nan 0.000 0.217 25 P C 1.411 178.732 177.300 0.035 0.000 1.162 25 P CA 2.450 65.589 63.100 0.064 0.000 0.901 25 P CB 0.125 31.896 31.700 0.118 0.000 0.793 26 G N -2.378 106.445 108.800 0.038 0.000 2.880 26 G HA2 0.410 4.391 3.960 0.034 0.000 0.209 26 G HA3 0.410 4.391 3.960 0.034 0.000 0.209 26 G C 0.564 175.473 174.900 0.015 0.000 1.157 26 G CA 0.582 45.698 45.100 0.027 0.000 0.779 26 G HN 0.672 nan 8.290 nan 0.000 0.539 27 G N -0.631 108.169 108.800 0.000 0.000 2.341 27 G HA2 0.376 4.357 3.960 0.034 0.000 0.293 27 G HA3 0.376 4.357 3.960 0.034 0.000 0.293 27 G C -3.350 171.526 174.900 -0.039 0.000 1.298 27 G CA -0.678 44.414 45.100 -0.013 0.000 0.868 27 G HN 0.035 nan 8.290 nan 0.000 0.540 28 P HA 0.503 nan 4.420 nan 0.000 0.274 28 P C -0.044 177.242 177.300 -0.024 0.000 1.231 28 P CA -0.128 62.886 63.100 -0.144 0.000 0.790 28 P CB 1.683 33.149 31.700 -0.390 0.000 0.951 29 V N -1.113 118.797 119.914 -0.008 0.000 3.040 29 V HA 0.660 4.801 4.120 0.034 0.000 0.312 29 V C -0.532 175.645 176.094 0.138 0.000 1.115 29 V CA -0.887 61.488 62.300 0.126 0.000 0.998 29 V CB 1.911 33.812 31.823 0.131 0.000 1.042 29 V HN 0.465 nan 8.190 nan 0.000 0.433 30 S N 2.031 117.858 115.700 0.213 0.000 2.480 30 S HA 0.876 5.367 4.470 0.034 0.000 0.286 30 S C 0.004 174.549 174.600 -0.092 0.000 1.180 30 S CA 0.004 58.243 58.200 0.066 0.000 1.075 30 S CB 1.224 64.531 63.200 0.177 0.000 0.996 30 S HN 1.606 nan 8.310 nan 0.000 0.487 31 A N 2.585 125.159 122.820 -0.412 0.000 2.355 31 A HA 0.819 5.159 4.320 0.034 0.000 0.317 31 A C -1.211 175.886 177.584 -0.811 0.000 1.094 31 A CA -0.689 51.013 52.037 -0.558 0.000 0.764 31 A CB 0.511 19.191 19.000 -0.534 0.000 1.230 31 A HN 0.688 nan 8.150 nan 0.000 0.448 32 F N 2.688 122.478 119.950 -0.266 0.000 2.434 32 F HA 0.458 5.006 4.527 0.034 0.000 0.367 32 F C -0.237 175.387 175.800 -0.294 0.000 1.093 32 F CA -0.322 57.592 58.000 -0.143 0.000 1.085 32 F CB 1.139 40.209 39.000 0.116 0.000 1.322 32 F HN 0.329 nan 8.300 nan 0.000 0.452 33 L N 2.121 123.198 121.223 -0.244 0.000 2.322 33 L HA 0.731 5.092 4.340 0.034 0.000 0.279 33 L C 0.953 177.734 176.870 -0.148 0.000 1.036 33 L CA -0.922 53.726 54.840 -0.320 0.000 0.807 33 L CB 1.611 43.292 42.059 -0.629 0.000 1.226 33 L HN 0.827 nan 8.230 nan 0.000 0.433 34 G N 2.993 111.765 108.800 -0.046 0.000 2.182 34 G HA2 -0.240 3.740 3.960 0.034 0.000 0.248 34 G HA3 -0.240 3.740 3.960 0.034 0.000 0.248 34 G C -0.158 174.793 174.900 0.085 0.000 1.042 34 G CA -0.421 44.661 45.100 -0.030 0.000 0.775 34 G HN 0.474 nan 8.290 nan 0.000 0.501 35 I N 1.877 122.505 120.570 0.098 0.000 2.396 35 I HA 0.252 4.443 4.170 0.034 0.000 0.289 35 I C -1.646 174.523 176.117 0.088 0.000 1.056 35 I CA -2.226 59.107 61.300 0.054 0.000 1.365 35 I CB 1.131 39.108 38.000 -0.038 0.000 1.407 35 I HN -0.064 nan 8.210 nan 0.000 0.509 36 P HA 0.065 nan 4.420 nan 0.000 0.276 36 P C -0.180 177.041 177.300 -0.132 0.000 1.235 36 P CA -0.031 62.899 63.100 -0.284 0.000 0.772 36 P CB 0.384 31.933 31.700 -0.252 0.000 0.871 37 F N 1.095 120.878 119.950 -0.279 0.000 2.728 37 F HA 0.722 5.270 4.527 0.034 0.000 0.314 37 F C 0.135 175.926 175.800 -0.015 0.000 1.094 37 F CA -0.674 57.245 58.000 -0.135 0.000 1.217 37 F CB 0.155 38.984 39.000 -0.284 0.000 1.056 37 F HN 0.293 nan 8.300 nan 0.000 0.577 38 A N 0.195 122.711 122.820 -0.506 0.000 2.566 38 A HA 0.580 4.921 4.320 0.034 0.000 0.292 38 A C -0.777 176.641 177.584 -0.277 0.000 1.112 38 A CA -0.795 51.047 52.037 -0.324 0.000 0.707 38 A CB 0.966 19.687 19.000 -0.465 0.000 1.302 38 A HN 0.080 nan 8.150 nan 0.000 0.409 39 E N 1.345 121.462 120.200 -0.139 0.000 2.415 39 E HA 0.204 4.574 4.350 0.034 0.000 0.263 39 E C -2.277 174.224 176.600 -0.165 0.000 0.995 39 E CA -1.285 55.049 56.400 -0.111 0.000 0.915 39 E CB -0.033 29.640 29.700 -0.045 0.000 0.951 39 E HN 0.221 nan 8.360 nan 0.000 0.449 40 P HA -0.034 nan 4.420 nan 0.000 0.256 40 P C -2.238 174.996 177.300 -0.110 0.000 1.173 40 P CA -0.535 62.481 63.100 -0.140 0.000 0.768 40 P CB -0.151 31.502 31.700 -0.078 0.000 0.758 41 P HA 0.040 nan 4.420 nan 0.000 0.225 41 P C -0.512 176.725 177.300 -0.105 0.000 1.813 41 P CA -0.003 63.038 63.100 -0.098 0.000 1.013 41 P CB 0.017 31.661 31.700 -0.093 0.000 1.961 42 V N -2.097 117.761 119.914 -0.093 0.000 2.864 42 V HA 0.918 5.059 4.120 0.034 0.000 0.314 42 V C 0.799 176.845 176.094 -0.080 0.000 1.073 42 V CA 0.083 62.325 62.300 -0.097 0.000 0.956 42 V CB 1.100 32.873 31.823 -0.085 0.000 1.023 42 V HN 0.588 nan 8.190 nan 0.000 0.435 43 G N 3.102 111.852 108.800 -0.083 0.000 2.557 43 G HA2 -0.319 3.662 3.960 0.034 0.000 0.292 43 G HA3 -0.319 3.662 3.960 0.034 0.000 0.292 43 G C 1.249 176.115 174.900 -0.056 0.000 1.162 43 G CA 1.328 46.392 45.100 -0.058 0.000 0.964 43 G HN 2.377 nan 8.290 nan 0.000 0.541 44 S N 0.470 116.150 115.700 -0.032 0.000 2.515 44 S HA 0.056 4.546 4.470 0.034 0.000 0.231 44 S C 1.936 176.524 174.600 -0.020 0.000 0.987 44 S CA 1.712 59.903 58.200 -0.015 0.000 0.936 44 S CB -0.017 63.182 63.200 -0.001 0.000 0.766 44 S HN 0.578 nan 8.310 nan 0.000 0.528 45 R N 1.217 121.691 120.500 -0.044 0.000 2.317 45 R HA 0.306 4.667 4.340 0.034 0.000 0.208 45 R C 0.737 176.986 176.300 -0.085 0.000 0.914 45 R CA -0.122 55.951 56.100 -0.045 0.000 1.060 45 R CB -0.816 29.456 30.300 -0.046 0.000 1.015 45 R HN 0.511 nan 8.270 nan 0.000 0.498 46 R N 0.699 121.100 120.500 -0.165 0.000 2.570 46 R HA -0.082 4.278 4.340 0.034 0.000 0.277 46 R C -0.162 175.916 176.300 -0.371 0.000 1.039 46 R CA 0.345 56.216 56.100 -0.382 0.000 1.065 46 R CB 0.077 30.013 30.300 -0.607 0.000 0.964 46 R HN 0.089 nan 8.270 nan 0.000 0.428 47 F N -0.702 119.253 119.950 0.009 0.000 2.825 47 F HA -0.296 4.251 4.527 0.034 0.000 0.358 47 F C -0.018 175.766 175.800 -0.027 0.000 0.639 47 F CA 0.526 58.507 58.000 -0.032 0.000 1.153 47 F CB -1.450 37.518 39.000 -0.053 0.000 1.610 47 F HN 0.430 nan 8.300 nan 0.000 0.305 48 M N 0.691 120.346 119.600 0.091 0.000 2.409 48 M HA 0.439 4.940 4.480 0.034 0.000 0.329 48 M C -1.923 174.401 176.300 0.040 0.000 1.180 48 M CA -2.112 53.227 55.300 0.064 0.000 1.053 48 M CB 0.446 33.071 32.600 0.040 0.000 1.586 48 M HN -0.358 nan 8.290 nan 0.000 0.461 49 P HA 0.096 nan 4.420 nan 0.000 0.266 49 P C -2.405 174.921 177.300 0.044 0.000 1.193 49 P CA -0.450 62.680 63.100 0.051 0.000 0.770 49 P CB -0.521 31.218 31.700 0.064 0.000 0.836 50 P HA 0.171 nan 4.420 nan 0.000 0.275 50 P C -0.598 176.734 177.300 0.054 0.000 1.228 50 P CA 0.082 63.206 63.100 0.041 0.000 0.786 50 P CB 0.935 32.680 31.700 0.076 0.000 0.927 51 E N 3.094 123.311 120.200 0.028 0.000 2.202 51 E HA 0.374 4.745 4.350 0.034 0.000 0.272 51 E C -2.151 174.482 176.600 0.055 0.000 0.951 51 E CA -2.358 54.069 56.400 0.044 0.000 0.813 51 E CB 0.646 30.363 29.700 0.028 0.000 1.151 51 E HN 0.393 nan 8.360 nan 0.000 0.398 52 P HA -0.033 nan 4.420 nan 0.000 0.269 52 P C -0.694 176.669 177.300 0.105 0.000 1.209 52 P CA -0.250 62.927 63.100 0.128 0.000 0.776 52 P CB 0.494 32.276 31.700 0.137 0.000 0.876 53 K N 3.619 124.103 120.400 0.140 0.000 2.416 53 K HA 0.043 4.383 4.320 0.034 0.000 0.283 53 K C 0.136 176.844 176.600 0.179 0.000 1.037 53 K CA 0.228 56.601 56.287 0.143 0.000 0.995 53 K CB 0.070 32.694 32.500 0.207 0.000 0.938 53 K HN 0.267 nan 8.250 nan 0.000 0.475 54 R N 5.184 125.771 120.500 0.144 0.000 2.590 54 R HA 0.144 4.505 4.340 0.034 0.000 0.274 54 R C -2.001 174.404 176.300 0.175 0.000 1.061 54 R CA -1.604 54.569 56.100 0.122 0.000 1.081 54 R CB -0.048 30.307 30.300 0.091 0.000 0.984 54 R HN 0.569 nan 8.270 nan 0.000 0.448 55 P HA -0.097 nan 4.420 nan 0.000 0.266 55 P C -1.161 176.167 177.300 0.046 0.000 1.193 55 P CA 0.184 63.211 63.100 -0.122 0.000 0.770 55 P CB 0.308 31.899 31.700 -0.181 0.000 0.836 56 W N 0.919 122.251 121.300 0.053 0.000 2.820 56 W HA 0.696 5.376 4.660 0.034 0.000 0.350 56 W C -0.458 176.085 176.519 0.040 0.000 1.116 56 W CA -0.985 56.389 57.345 0.048 0.000 1.146 56 W CB 0.035 29.531 29.460 0.061 0.000 1.433 56 W HN 0.384 nan 8.180 nan 0.000 0.561 57 S N 1.347 117.211 115.700 0.272 0.000 2.693 57 S HA 0.808 5.299 4.470 0.034 0.000 0.276 57 S C 0.641 175.392 174.600 0.253 0.000 1.192 57 S CA 0.117 58.415 58.200 0.163 0.000 0.994 57 S CB 0.734 64.003 63.200 0.114 0.000 1.012 57 S HN 2.169 nan 8.310 nan 0.000 0.550 58 G N -0.209 108.687 108.800 0.160 0.000 2.601 58 G HA2 -0.175 3.805 3.960 0.034 0.000 0.261 58 G HA3 -0.175 3.805 3.960 0.034 0.000 0.261 58 G C -0.583 174.452 174.900 0.224 0.000 1.289 58 G CA -0.218 44.977 45.100 0.158 0.000 0.920 58 G HN 1.704 nan 8.290 nan 0.000 0.571 59 V N 0.745 120.765 119.914 0.176 0.000 2.328 59 V HA 0.503 4.643 4.120 0.034 0.000 0.278 59 V C 0.539 176.709 176.094 0.127 0.000 1.021 59 V CA -0.501 61.907 62.300 0.179 0.000 0.838 59 V CB 1.142 33.034 31.823 0.116 0.000 0.999 59 V HN 0.784 nan 8.190 nan 0.000 0.447 60 L N 4.661 125.951 121.223 0.112 0.000 2.410 60 L HA 0.319 4.679 4.340 0.034 0.000 0.273 60 L C 0.318 177.163 176.870 -0.042 0.000 1.144 60 L CA 0.262 55.040 54.840 -0.104 0.000 0.863 60 L CB 0.754 42.508 42.059 -0.509 0.000 1.140 60 L HN 0.795 nan 8.230 nan 0.000 0.463 61 D N 4.480 124.844 120.400 -0.060 0.000 2.339 61 D HA 0.401 5.061 4.640 0.034 0.000 0.256 61 D C -0.286 175.975 176.300 -0.064 0.000 1.214 61 D CA 0.165 54.139 54.000 -0.042 0.000 0.877 61 D CB 1.047 41.816 40.800 -0.052 0.000 1.111 61 D HN 0.632 nan 8.370 nan 0.000 0.478 62 A N 3.293 126.098 122.820 -0.026 0.000 3.214 62 A HA 0.343 4.684 4.320 0.034 0.000 0.304 62 A C 0.742 178.262 177.584 -0.107 0.000 0.969 62 A CA -0.225 51.792 52.037 -0.033 0.000 0.986 62 A CB -0.168 18.896 19.000 0.107 0.000 1.073 62 A HN 0.602 nan 8.150 nan 0.000 0.487 63 T N -3.282 111.182 114.554 -0.149 0.000 3.003 63 T HA 0.288 4.659 4.350 0.034 0.000 0.261 63 T C 0.649 175.202 174.700 -0.245 0.000 1.003 63 T CA 0.740 62.722 62.100 -0.196 0.000 0.917 63 T CB -0.113 68.672 68.868 -0.140 0.000 1.084 63 T HN 0.760 nan 8.240 nan 0.000 0.522 64 T N -0.385 114.024 114.554 -0.243 0.000 2.903 64 T HA 0.709 5.080 4.350 0.034 0.000 0.299 64 T C -0.813 173.737 174.700 -0.250 0.000 1.093 64 T CA -0.863 61.085 62.100 -0.253 0.000 1.002 64 T CB 1.109 69.894 68.868 -0.140 0.000 1.127 64 T HN -0.017 nan 8.240 nan 0.000 0.488 65 F N 2.056 121.942 119.950 -0.107 0.000 2.563 65 F HA 0.312 4.860 4.527 0.034 0.000 0.363 65 F C 1.458 177.161 175.800 -0.162 0.000 1.123 65 F CA -0.135 57.801 58.000 -0.106 0.000 1.307 65 F CB 0.437 39.402 39.000 -0.059 0.000 1.115 65 F HN 0.483 nan 8.300 nan 0.000 0.592 66 Q N 1.311 121.118 119.800 0.011 0.000 2.189 66 Q HA 0.201 4.561 4.340 0.034 0.000 0.193 66 Q C -0.187 175.739 176.000 -0.123 0.000 1.034 66 Q CA -0.752 54.906 55.803 -0.241 0.000 1.062 66 Q CB 0.548 28.856 28.738 -0.718 0.000 1.118 66 Q HN 0.500 nan 8.270 nan 0.000 0.569 67 N N -0.217 118.385 118.700 -0.164 0.000 2.395 67 N HA -0.005 4.756 4.740 0.034 0.000 0.246 67 N C -0.573 174.921 175.510 -0.026 0.000 1.246 67 N CA 0.142 53.149 53.050 -0.072 0.000 0.879 67 N CB 0.330 38.787 38.487 -0.050 0.000 1.098 67 N HN 0.176 nan 8.380 nan 0.000 0.444 68 V N 1.946 121.825 119.914 -0.059 0.000 2.583 68 V HA 0.047 4.187 4.120 0.034 0.000 0.287 68 V C 0.645 176.701 176.094 -0.062 0.000 1.051 68 V CA -0.763 61.490 62.300 -0.079 0.000 1.010 68 V CB 0.802 32.542 31.823 -0.139 0.000 0.988 68 V HN 0.702 nan 8.190 nan 0.000 0.478 69 c N 4.666 123.241 118.600 -0.043 0.000 2.642 69 c HA 0.099 4.689 4.570 0.034 0.000 0.420 69 c C 0.502 174.552 174.090 -0.066 0.000 1.349 69 c CA -0.604 55.706 56.329 -0.032 0.000 1.821 69 c CB -1.059 41.458 42.510 0.012 0.000 2.637 69 c HN 0.739 nan 8.230 nan 0.000 0.605 70 Y N 4.053 124.218 120.300 -0.226 0.000 2.805 70 Y HA 0.212 4.783 4.550 0.034 0.000 0.331 70 Y C 0.793 176.713 175.900 0.032 0.000 1.241 70 Y CA 1.173 59.138 58.100 -0.225 0.000 1.546 70 Y CB 0.122 38.218 38.460 -0.605 0.000 1.248 70 Y HN 0.753 nan 8.280 nan 0.000 0.559 71 Q N 4.008 123.716 119.800 -0.154 0.000 2.578 71 Q HA 0.216 4.577 4.340 0.034 0.000 0.284 71 Q C -1.905 174.187 176.000 0.153 0.000 0.960 71 Q CA -1.201 54.694 55.803 0.153 0.000 0.809 71 Q CB 1.175 29.985 28.738 0.121 0.000 1.462 71 Q HN 0.654 nan 8.270 nan 0.000 0.392 72 Y N 1.191 121.657 120.300 0.276 0.000 2.511 72 Y HA 0.342 4.912 4.550 0.034 0.000 0.332 72 Y C -0.836 175.227 175.900 0.271 0.000 1.177 72 Y CA 0.183 58.473 58.100 0.317 0.000 1.422 72 Y CB 0.932 39.709 38.460 0.530 0.000 1.271 72 Y HN 0.460 nan 8.280 nan 0.000 0.550 73 V N 6.676 126.387 119.914 -0.337 0.000 2.398 73 V HA 0.095 4.236 4.120 0.034 0.000 0.286 73 V C -0.424 175.430 176.094 -0.401 0.000 1.026 73 V CA -0.914 61.239 62.300 -0.245 0.000 0.868 73 V CB 1.412 33.115 31.823 -0.199 0.000 0.982 73 V HN 0.737 nan 8.190 nan 0.000 0.443 74 D N 3.571 123.959 120.400 -0.020 0.000 2.383 74 D HA 0.170 4.830 4.640 0.034 0.000 0.252 74 D C 0.886 177.231 176.300 0.076 0.000 1.166 74 D CA 0.275 54.361 54.000 0.143 0.000 0.879 74 D CB 1.359 42.355 40.800 0.326 0.000 1.164 74 D HN 0.724 nan 8.370 nan 0.000 0.462 75 T N 1.314 115.910 114.554 0.071 0.000 3.288 75 T HA 0.067 4.437 4.350 0.034 0.000 0.293 75 T C 1.428 176.142 174.700 0.022 0.000 1.008 75 T CA -0.492 61.632 62.100 0.040 0.000 0.929 75 T CB -0.171 68.695 68.868 -0.004 0.000 1.152 75 T HN 0.238 nan 8.240 nan 0.000 0.517 76 L N 0.591 121.818 121.223 0.006 0.000 2.093 76 L HA 0.274 4.634 4.340 0.034 0.000 0.208 76 L C -0.337 176.270 176.870 -0.439 0.000 1.085 76 L CA 1.525 56.206 54.840 -0.266 0.000 0.755 76 L CB -0.259 41.536 42.059 -0.439 0.000 0.904 76 L HN 0.423 nan 8.230 nan 0.000 0.435 77 Y N -0.185 120.164 120.300 0.081 0.000 2.662 77 Y HA 0.427 4.998 4.550 0.034 0.000 0.358 77 Y C -2.281 173.677 175.900 0.097 0.000 1.041 77 Y CA -3.698 54.431 58.100 0.048 0.000 1.184 77 Y CB -0.115 38.353 38.460 0.014 0.000 1.114 77 Y HN 0.055 nan 8.280 nan 0.000 0.650 78 P HA 0.190 nan 4.420 nan 0.000 0.268 78 P C 1.040 178.408 177.300 0.114 0.000 1.204 78 P CA 1.035 64.203 63.100 0.114 0.000 0.768 78 P CB 1.022 32.758 31.700 0.061 0.000 0.842 79 G N 1.829 110.678 108.800 0.081 0.000 2.184 79 G HA2 -0.295 3.686 3.960 0.034 0.000 0.264 79 G HA3 -0.295 3.686 3.960 0.034 0.000 0.264 79 G C -0.079 174.868 174.900 0.079 0.000 0.975 79 G CA -0.252 44.879 45.100 0.051 0.000 0.642 79 G HN 0.545 nan 8.290 nan 0.000 0.536 80 F N 1.934 121.846 119.950 -0.062 0.000 2.424 80 F HA 0.557 5.104 4.527 0.034 0.000 0.356 80 F C 1.295 176.997 175.800 -0.163 0.000 1.110 80 F CA -0.613 57.299 58.000 -0.146 0.000 1.161 80 F CB 0.934 39.824 39.000 -0.183 0.000 1.115 80 F HN 0.207 nan 8.300 nan 0.000 0.507 81 E N 3.544 123.318 120.200 -0.711 0.000 2.130 81 E HA -0.189 4.182 4.350 0.034 0.000 0.196 81 E C 2.098 178.199 176.600 -0.832 0.000 0.998 81 E CA 1.466 57.465 56.400 -0.668 0.000 0.806 81 E CB -0.227 29.137 29.700 -0.559 0.000 0.738 81 E HN 1.027 nan 8.360 nan 0.000 0.459 82 G N -0.329 107.490 108.800 -1.635 0.000 2.448 82 G HA2 -0.283 3.697 3.960 0.034 0.000 0.219 82 G HA3 -0.283 3.697 3.960 0.034 0.000 0.219 82 G C 1.623 176.509 174.900 -0.025 0.000 1.127 82 G CA 1.544 46.022 45.100 -1.037 0.000 0.766 82 G HN 0.446 nan 8.290 nan 0.000 0.552 83 T N -1.986 112.551 114.554 -0.028 0.000 3.033 83 T HA 0.132 4.503 4.350 0.034 0.000 0.248 83 T C 1.886 176.694 174.700 0.179 0.000 1.040 83 T CA 0.688 63.027 62.100 0.398 0.000 1.133 83 T CB 0.070 69.257 68.868 0.531 0.000 0.895 83 T HN 0.110 nan 8.240 nan 0.000 0.465 84 E N 2.174 122.356 120.200 -0.029 0.000 2.274 84 E HA -0.028 4.342 4.350 0.034 0.000 0.194 84 E C 2.195 178.683 176.600 -0.187 0.000 0.996 84 E CA 0.999 57.354 56.400 -0.075 0.000 0.840 84 E CB -0.470 29.167 29.700 -0.105 0.000 0.772 84 E HN 0.799 nan 8.360 nan 0.000 0.491 85 M N -2.365 117.030 119.600 -0.341 0.000 2.446 85 M HA -0.065 4.436 4.480 0.034 0.000 0.263 85 M C 1.213 177.110 176.300 -0.671 0.000 1.066 85 M CA 1.395 56.355 55.300 -0.566 0.000 1.087 85 M CB -0.488 31.662 32.600 -0.749 0.000 1.406 85 M HN -0.007 nan 8.290 nan 0.000 0.459 86 W N 0.724 121.918 121.300 -0.177 0.000 3.107 86 W HA 0.303 4.983 4.660 0.033 0.000 0.293 86 W C 0.460 176.877 176.519 -0.170 0.000 1.239 86 W CA -0.919 56.310 57.345 -0.193 0.000 1.653 86 W CB -0.118 29.250 29.460 -0.154 0.000 1.068 86 W HN 0.092 nan 8.180 nan 0.000 0.615 87 N N 1.458 120.172 118.700 0.025 0.000 2.467 87 N HA 0.162 4.923 4.740 0.034 0.000 0.262 87 N C -2.438 173.011 175.510 -0.102 0.000 1.234 87 N CA -1.526 51.512 53.050 -0.019 0.000 0.952 87 N CB -0.083 38.395 38.487 -0.015 0.000 1.158 87 N HN -0.354 nan 8.380 nan 0.000 0.463 88 P HA 0.055 nan 4.420 nan 0.000 0.265 88 P C 0.233 177.446 177.300 -0.146 0.000 1.193 88 P CA 0.087 63.096 63.100 -0.152 0.000 0.765 88 P CB 0.312 31.921 31.700 -0.151 0.000 0.823 89 N N 2.212 120.812 118.700 -0.166 0.000 2.187 89 N HA 0.073 4.834 4.740 0.034 0.000 0.212 89 N C 0.171 175.612 175.510 -0.115 0.000 1.152 89 N CA 0.028 52.990 53.050 -0.146 0.000 0.872 89 N CB 0.420 38.802 38.487 -0.175 0.000 1.025 89 N HN 0.139 nan 8.380 nan 0.000 0.514 90 R N 0.224 120.656 120.500 -0.115 0.000 2.922 90 R HA 0.359 4.719 4.340 0.034 0.000 0.256 90 R C -0.169 176.079 176.300 -0.085 0.000 1.138 90 R CA -0.627 55.424 56.100 -0.081 0.000 0.995 90 R CB 0.579 30.840 30.300 -0.064 0.000 1.226 90 R HN 0.124 nan 8.270 nan 0.000 0.481 91 E N 1.576 121.735 120.200 -0.068 0.000 2.413 91 E HA 0.065 4.435 4.350 0.034 0.000 0.263 91 E C -0.018 176.543 176.600 -0.067 0.000 1.015 91 E CA 0.105 56.469 56.400 -0.060 0.000 0.916 91 E CB 0.533 30.208 29.700 -0.041 0.000 0.947 91 E HN 0.256 nan 8.360 nan 0.000 0.440 92 L N 1.809 122.988 121.223 -0.075 0.000 2.380 92 L HA 0.222 4.583 4.340 0.034 0.000 0.273 92 L C 0.683 177.595 176.870 0.069 0.000 1.138 92 L CA 0.070 54.857 54.840 -0.089 0.000 0.832 92 L CB 0.840 42.708 42.059 -0.318 0.000 1.124 92 L HN 0.397 nan 8.230 nan 0.000 0.454 93 S N 0.810 116.564 115.700 0.089 0.000 2.552 93 S HA 0.208 4.699 4.470 0.034 0.000 0.272 93 S C 0.191 174.785 174.600 -0.010 0.000 1.150 93 S CA -0.655 57.589 58.200 0.073 0.000 0.849 93 S CB 1.643 64.852 63.200 0.016 0.000 1.113 93 S HN 0.738 nan 8.310 nan 0.000 0.458 94 E N 0.761 120.884 120.200 -0.129 0.000 2.358 94 E HA -0.044 4.327 4.350 0.034 0.000 0.195 94 E C -0.346 176.182 176.600 -0.119 0.000 1.010 94 E CA 0.418 56.679 56.400 -0.231 0.000 0.856 94 E CB 0.111 29.620 29.700 -0.318 0.000 0.795 94 E HN 0.523 nan 8.360 nan 0.000 0.504 95 D N 0.522 120.890 120.400 -0.053 0.000 2.483 95 D HA -0.006 4.655 4.640 0.034 0.000 0.220 95 D C 0.086 176.465 176.300 0.130 0.000 1.173 95 D CA -0.320 53.687 54.000 0.012 0.000 0.964 95 D CB -0.015 40.804 40.800 0.032 0.000 1.046 95 D HN 0.132 nan 8.370 nan 0.000 0.517 96 c N 2.448 121.100 118.600 0.087 0.000 3.772 96 c HA 0.379 4.969 4.570 0.034 0.000 0.293 96 c C 0.649 174.829 174.090 0.151 0.000 1.659 96 c CA -0.678 55.766 56.329 0.190 0.000 1.810 96 c CB -1.243 41.312 42.510 0.076 0.000 3.059 96 c HN 0.446 nan 8.230 nan 0.000 0.617 97 L N 2.506 123.575 121.223 -0.257 0.000 2.399 97 L HA 0.405 4.766 4.340 0.034 0.000 0.257 97 L C -0.942 175.327 176.870 -1.001 0.000 1.236 97 L CA 0.476 54.936 54.840 -0.634 0.000 1.144 97 L CB -0.679 40.842 42.059 -0.897 0.000 1.379 97 L HN 0.403 nan 8.230 nan 0.000 0.414 98 Y N 1.759 122.029 120.300 -0.049 0.000 2.576 98 Y HA 0.651 5.221 4.550 0.034 0.000 0.346 98 Y C -0.081 175.993 175.900 0.290 0.000 1.018 98 Y CA -1.232 56.915 58.100 0.078 0.000 1.050 98 Y CB 2.039 40.501 38.460 0.004 0.000 1.280 98 Y HN 0.190 nan 8.280 nan 0.000 0.474 99 L N -0.251 121.145 121.223 0.287 0.000 2.303 99 L HA 0.780 5.140 4.340 0.034 0.000 0.256 99 L C -1.312 175.553 176.870 -0.009 0.000 1.034 99 L CA -1.119 53.773 54.840 0.087 0.000 0.832 99 L CB 1.800 43.741 42.059 -0.196 0.000 1.403 99 L HN 0.474 nan 8.230 nan 0.000 0.419 100 N N 0.087 118.778 118.700 -0.016 0.000 2.238 100 N HA 0.734 5.494 4.740 0.034 0.000 0.302 100 N C -1.546 173.845 175.510 -0.198 0.000 1.072 100 N CA -0.429 52.527 53.050 -0.157 0.000 0.792 100 N CB 2.913 41.319 38.487 -0.136 0.000 1.425 100 N HN 0.500 nan 8.380 nan 0.000 0.478 101 V N 1.492 121.220 119.914 -0.310 0.000 2.577 101 V HA 0.461 4.601 4.120 0.034 0.000 0.303 101 V C -0.804 175.208 176.094 -0.138 0.000 1.042 101 V CA -0.797 61.425 62.300 -0.129 0.000 0.872 101 V CB 2.173 33.825 31.823 -0.284 0.000 0.998 101 V HN 0.548 nan 8.190 nan 0.000 0.423 102 W N 2.095 123.495 121.300 0.167 0.000 2.606 102 W HA 0.700 5.381 4.660 0.035 0.000 0.332 102 W C 0.067 176.699 176.519 0.187 0.000 1.052 102 W CA -0.421 57.020 57.345 0.160 0.000 1.223 102 W CB 2.301 31.829 29.460 0.114 0.000 1.383 102 W HN 0.485 nan 8.180 nan 0.000 0.524 103 T N 2.706 117.516 114.554 0.427 0.000 2.883 103 T HA 0.445 4.816 4.350 0.034 0.000 0.301 103 T C -2.647 172.225 174.700 0.287 0.000 1.158 103 T CA -1.794 60.514 62.100 0.347 0.000 1.007 103 T CB 2.027 71.147 68.868 0.419 0.000 1.186 103 T HN -0.086 nan 8.240 nan 0.000 0.499 104 P HA 0.173 nan 4.420 nan 0.000 0.267 104 P C -1.715 175.721 177.300 0.227 0.000 1.200 104 P CA 0.080 63.297 63.100 0.195 0.000 0.772 104 P CB 0.112 31.898 31.700 0.144 0.000 0.855 105 Y N 4.256 124.609 120.300 0.088 0.000 2.328 105 Y HA 0.422 4.992 4.550 0.034 0.000 0.333 105 Y C -2.117 173.816 175.900 0.055 0.000 0.958 105 Y CA -2.553 55.591 58.100 0.072 0.000 1.167 105 Y CB 1.171 39.660 38.460 0.048 0.000 1.151 105 Y HN 0.345 nan 8.280 nan 0.000 0.470 106 P HA 0.249 nan 4.420 nan 0.000 0.276 106 P C -0.939 176.334 177.300 -0.045 0.000 1.244 106 P CA -0.495 62.471 63.100 -0.223 0.000 0.801 106 P CB 1.158 32.753 31.700 -0.176 0.000 1.006 107 R N 1.274 121.745 120.500 -0.049 0.000 2.583 107 R HA 0.115 4.475 4.340 0.034 0.000 0.274 107 R C -1.841 174.483 176.300 0.041 0.000 0.998 107 R CA -0.921 55.208 56.100 0.048 0.000 1.081 107 R CB -0.988 29.345 30.300 0.055 0.000 0.940 107 R HN 0.424 nan 8.270 nan 0.000 0.413 108 P HA -0.068 nan 4.420 nan 0.000 0.265 108 P C 0.064 177.384 177.300 0.033 0.000 1.193 108 P CA 0.303 63.435 63.100 0.054 0.000 0.765 108 P CB 0.722 32.464 31.700 0.070 0.000 0.823 109 A N 3.041 125.875 122.820 0.023 0.000 1.858 109 A HA -0.064 4.277 4.320 0.034 0.000 0.216 109 A C 1.002 178.594 177.584 0.013 0.000 1.190 109 A CA 1.730 53.775 52.037 0.012 0.000 0.617 109 A CB -1.047 17.959 19.000 0.010 0.000 0.827 109 A HN 0.649 nan 8.150 nan 0.000 0.443 110 S N -0.521 115.189 115.700 0.017 0.000 2.608 110 S HA 0.603 5.093 4.470 0.034 0.000 0.291 110 S C -3.018 171.596 174.600 0.023 0.000 1.146 110 S CA -1.852 56.357 58.200 0.014 0.000 1.043 110 S CB 0.969 64.175 63.200 0.010 0.000 1.037 110 S HN 0.089 nan 8.310 nan 0.000 0.520 111 P HA 0.221 nan 4.420 nan 0.000 0.264 111 P C -0.639 176.679 177.300 0.030 0.000 1.193 111 P CA 0.173 63.289 63.100 0.028 0.000 0.763 111 P CB 0.181 31.890 31.700 0.015 0.000 0.810 112 T N 5.076 119.659 114.554 0.049 0.000 2.855 112 T HA 0.426 4.796 4.350 0.034 0.000 0.281 112 T C -2.455 172.276 174.700 0.052 0.000 1.007 112 T CA -1.847 60.283 62.100 0.050 0.000 1.009 112 T CB 0.914 69.824 68.868 0.071 0.000 0.983 112 T HN 0.152 nan 8.240 nan 0.000 0.455 113 P HA 0.133 nan 4.420 nan 0.000 0.264 113 P C -0.951 176.389 177.300 0.066 0.000 1.183 113 P CA -0.159 62.962 63.100 0.035 0.000 0.763 113 P CB 0.371 32.075 31.700 0.005 0.000 0.807 114 V N 5.296 125.263 119.914 0.088 0.000 2.435 114 V HA 0.314 4.455 4.120 0.034 0.000 0.290 114 V C 0.201 176.370 176.094 0.126 0.000 1.030 114 V CA -0.433 61.941 62.300 0.124 0.000 0.881 114 V CB 1.323 33.232 31.823 0.143 0.000 0.983 114 V HN 0.331 nan 8.190 nan 0.000 0.445 115 L N 6.017 127.328 121.223 0.146 0.000 2.313 115 L HA 0.584 4.945 4.340 0.034 0.000 0.283 115 L C -0.464 176.633 176.870 0.378 0.000 1.013 115 L CA 0.076 55.016 54.840 0.167 0.000 0.816 115 L CB 1.591 43.632 42.059 -0.031 0.000 1.236 115 L HN 0.482 nan 8.230 nan 0.000 0.419 116 I N 3.013 123.841 120.570 0.431 0.000 2.355 116 I HA 0.198 4.389 4.170 0.034 0.000 0.288 116 I C -0.737 175.679 176.117 0.498 0.000 0.999 116 I CA -0.447 61.089 61.300 0.393 0.000 1.163 116 I CB 1.110 39.212 38.000 0.171 0.000 1.316 116 I HN 0.631 nan 8.210 nan 0.000 0.454 117 W N 8.486 129.912 121.300 0.209 0.000 2.316 117 W HA 0.541 5.221 4.660 0.034 0.000 0.311 117 W C -1.410 175.021 176.519 -0.146 0.000 1.217 117 W CA -0.559 56.681 57.345 -0.174 0.000 1.199 117 W CB 1.114 30.486 29.460 -0.146 0.000 1.202 117 W HN 0.346 nan 8.180 nan 0.000 0.528 118 I N 8.975 128.926 120.570 -1.032 0.000 2.411 118 I HA 0.077 4.268 4.170 0.034 0.000 0.284 118 I C -0.278 175.017 176.117 -1.370 0.000 1.012 118 I CA -1.125 59.619 61.300 -0.927 0.000 1.119 118 I CB 0.733 38.361 38.000 -0.620 0.000 1.261 118 I HN 0.296 nan 8.210 nan 0.000 0.448 119 Y N 4.571 124.388 120.300 -0.805 0.000 2.357 119 Y HA 0.705 5.275 4.550 0.034 0.000 0.340 119 Y C 0.741 176.471 175.900 -0.283 0.000 1.260 119 Y CA -0.834 56.916 58.100 -0.584 0.000 1.425 119 Y CB -0.031 38.301 38.460 -0.213 0.000 1.326 119 Y HN 0.524 nan 8.280 nan 0.000 0.580 120 G N -0.932 107.896 108.800 0.047 0.000 2.583 120 G HA2 0.489 4.470 3.960 0.034 0.000 0.280 120 G HA3 0.489 4.470 3.960 0.034 0.000 0.280 120 G C 0.297 175.185 174.900 -0.020 0.000 1.376 120 G CA -0.938 44.133 45.100 -0.049 0.000 1.043 120 G HN 1.734 nan 8.290 nan 0.000 0.538 121 G N -2.857 105.791 108.800 -0.254 0.000 2.165 121 G HA2 0.395 4.376 3.960 0.034 0.000 0.144 121 G HA3 0.395 4.376 3.960 0.034 0.000 0.144 121 G C 1.062 175.565 174.900 -0.663 0.000 1.049 121 G CA 0.727 45.572 45.100 -0.426 0.000 0.741 121 G HN 2.372 nan 8.290 nan 0.000 0.493 122 G N -0.530 107.823 108.800 -0.745 0.000 2.179 122 G HA2 -0.106 3.874 3.960 0.034 0.000 0.257 122 G HA3 -0.106 3.874 3.960 0.034 0.000 0.257 122 G C 0.878 175.481 174.900 -0.496 0.000 1.010 122 G CA 0.719 45.058 45.100 -1.269 0.000 0.736 122 G HN 1.782 nan 8.290 nan 0.000 0.513 123 F N -3.261 116.588 119.950 -0.168 0.000 2.973 123 F HA -0.316 4.232 4.527 0.034 0.000 0.299 123 F C 1.420 177.336 175.800 0.193 0.000 0.737 123 F CA 2.224 60.235 58.000 0.019 0.000 1.151 123 F CB -2.080 36.756 39.000 -0.274 0.000 1.440 123 F HN 0.970 nan 8.300 nan 0.000 0.367 124 Y N -0.976 119.428 120.300 0.174 0.000 2.471 124 Y HA 0.631 5.201 4.550 0.034 0.000 0.249 124 Y C 0.560 176.581 175.900 0.201 0.000 1.116 124 Y CA 0.294 58.517 58.100 0.205 0.000 1.240 124 Y CB 0.106 38.644 38.460 0.131 0.000 1.251 124 Y HN 0.094 nan 8.280 nan 0.000 0.527 125 S N -0.776 114.698 115.700 -0.376 0.000 2.672 125 S HA 0.871 5.362 4.470 0.034 0.000 0.271 125 S C -0.154 174.282 174.600 -0.273 0.000 1.171 125 S CA -0.473 57.519 58.200 -0.346 0.000 0.817 125 S CB 1.459 64.303 63.200 -0.593 0.000 1.150 125 S HN 1.402 nan 8.310 nan 0.000 0.478 126 G N -0.600 107.999 108.800 -0.335 0.000 2.423 126 G HA2 0.550 4.530 3.960 0.034 0.000 0.684 126 G HA3 0.550 4.530 3.960 0.034 0.000 0.684 126 G C -0.649 173.633 174.900 -1.029 0.000 1.309 126 G CA -0.261 44.481 45.100 -0.597 0.000 0.950 126 G HN 2.304 nan 8.290 nan 0.000 0.587 127 A N -1.425 120.605 122.820 -1.316 0.000 2.594 127 A HA 0.981 5.321 4.320 0.034 0.000 0.296 127 A C 0.562 177.925 177.584 -0.368 0.000 1.056 127 A CA 0.747 52.258 52.037 -0.877 0.000 0.693 127 A CB 0.790 19.546 19.000 -0.407 0.000 1.278 127 A HN 2.589 nan 8.150 nan 0.000 0.408 128 A N 0.490 123.343 122.820 0.056 0.000 2.206 128 A HA 0.243 4.583 4.320 0.034 0.000 0.211 128 A C 1.762 179.366 177.584 0.033 0.000 1.158 128 A CA 1.867 54.109 52.037 0.340 0.000 0.761 128 A CB -0.555 18.706 19.000 0.435 0.000 0.801 128 A HN 1.882 nan 8.150 nan 0.000 0.473 129 S N -0.502 114.965 115.700 -0.389 0.000 2.575 129 S HA 0.300 4.790 4.470 0.034 0.000 0.215 129 S C 0.519 174.707 174.600 -0.686 0.000 0.966 129 S CA -0.440 57.082 58.200 -1.129 0.000 0.911 129 S CB -0.604 61.917 63.200 -1.131 0.000 0.780 129 S HN 0.383 nan 8.310 nan 0.000 0.514 130 L N 2.213 123.178 121.223 -0.430 0.000 2.461 130 L HA 0.165 4.526 4.340 0.034 0.000 0.272 130 L C 1.119 177.663 176.870 -0.544 0.000 1.197 130 L CA -0.481 54.043 54.840 -0.526 0.000 0.836 130 L CB 0.227 41.844 42.059 -0.736 0.000 1.105 130 L HN 0.083 nan 8.230 nan 0.000 0.477 131 D N 1.071 121.185 120.400 -0.476 0.000 2.178 131 D HA -0.131 4.530 4.640 0.034 0.000 0.201 131 D C 1.997 178.014 176.300 -0.473 0.000 0.980 131 D CA 1.225 55.010 54.000 -0.359 0.000 0.842 131 D CB 0.003 40.630 40.800 -0.288 0.000 0.948 131 D HN 0.532 nan 8.370 nan 0.000 0.472 132 V N -1.234 118.244 119.914 -0.726 0.000 2.913 132 V HA -0.159 3.982 4.120 0.034 0.000 0.260 132 V C 1.179 176.659 176.094 -1.024 0.000 1.098 132 V CA 1.012 62.839 62.300 -0.788 0.000 1.121 132 V CB -1.163 30.151 31.823 -0.848 0.000 0.714 132 V HN 0.050 nan 8.190 nan 0.000 0.487 133 Y N 0.229 119.947 120.300 -0.970 0.000 2.532 133 Y HA 0.440 5.011 4.550 0.034 0.000 0.283 133 Y C 0.868 176.156 175.900 -1.019 0.000 1.181 133 Y CA -1.893 55.265 58.100 -1.570 0.000 1.256 133 Y CB -0.907 37.018 38.460 -0.891 0.000 1.112 133 Y HN 0.233 nan 8.280 nan 0.000 0.521 134 D N 0.887 120.966 120.400 -0.535 0.000 2.389 134 D HA 0.033 4.694 4.640 0.034 0.000 0.263 134 D C 1.397 177.391 176.300 -0.509 0.000 1.255 134 D CA 0.457 54.231 54.000 -0.377 0.000 0.914 134 D CB 1.281 42.000 40.800 -0.134 0.000 1.116 134 D HN 0.478 nan 8.370 nan 0.000 0.502 135 G N 4.274 112.190 108.800 -1.473 0.000 2.848 135 G HA2 -0.182 3.799 3.960 0.034 0.000 0.208 135 G HA3 -0.182 3.799 3.960 0.034 0.000 0.208 135 G C 1.508 175.829 174.900 -0.965 0.000 1.152 135 G CA 0.031 44.395 45.100 -1.227 0.000 0.789 135 G HN 0.572 nan 8.290 nan 0.000 0.531 136 R N -0.279 119.603 120.500 -1.029 0.000 2.115 136 R HA -0.001 4.359 4.340 0.034 0.000 0.230 136 R C 1.612 177.644 176.300 -0.447 0.000 1.111 136 R CA 0.952 56.683 56.100 -0.615 0.000 0.976 136 R CB -0.718 29.258 30.300 -0.540 0.000 0.870 136 R HN 0.324 nan 8.270 nan 0.000 0.445 137 F N 1.680 121.537 119.950 -0.156 0.000 2.128 137 F HA 0.031 4.579 4.527 0.035 0.000 0.295 137 F C 2.447 178.193 175.800 -0.089 0.000 1.100 137 F CA 0.855 58.791 58.000 -0.105 0.000 1.260 137 F CB -0.622 38.306 39.000 -0.119 0.000 1.009 137 F HN -0.142 nan 8.300 nan 0.000 0.476 138 L N -0.226 121.038 121.223 0.069 0.000 2.046 138 L HA -0.202 4.158 4.340 0.034 0.000 0.208 138 L C 2.720 179.604 176.870 0.025 0.000 1.077 138 L CA 1.156 55.998 54.840 0.004 0.000 0.747 138 L CB -0.956 41.062 42.059 -0.068 0.000 0.896 138 L HN 0.177 nan 8.230 nan 0.000 0.432 139 A N -0.934 121.903 122.820 0.029 0.000 1.877 139 A HA -0.251 4.090 4.320 0.034 0.000 0.216 139 A C 2.292 179.922 177.584 0.077 0.000 1.186 139 A CA 1.634 53.724 52.037 0.089 0.000 0.620 139 A CB -0.521 18.575 19.000 0.160 0.000 0.822 139 A HN 0.396 nan 8.150 nan 0.000 0.443 140 Q N -0.204 119.623 119.800 0.045 0.000 2.049 140 Q HA -0.078 4.283 4.340 0.034 0.000 0.198 140 Q C 2.196 178.227 176.000 0.053 0.000 0.971 140 Q CA 2.003 57.835 55.803 0.049 0.000 0.833 140 Q CB -0.253 28.496 28.738 0.018 0.000 0.896 140 Q HN 0.415 nan 8.270 nan 0.000 0.434 141 V N 1.208 121.153 119.914 0.052 0.000 2.407 141 V HA -0.109 4.032 4.120 0.034 0.000 0.245 141 V C 1.732 177.846 176.094 0.033 0.000 1.041 141 V CA 1.488 63.814 62.300 0.043 0.000 1.040 141 V CB -0.136 31.713 31.823 0.042 0.000 0.671 141 V HN 0.234 nan 8.190 nan 0.000 0.455 142 E N -0.220 119.999 120.200 0.031 0.000 2.476 142 E HA 0.199 4.570 4.350 0.034 0.000 0.199 142 E C 1.716 178.339 176.600 0.038 0.000 1.021 142 E CA 0.732 57.148 56.400 0.026 0.000 0.907 142 E CB 0.493 30.202 29.700 0.014 0.000 0.974 142 E HN 0.577 nan 8.360 nan 0.000 0.489 143 G N 1.710 110.542 108.800 0.053 0.000 2.179 143 G HA2 -0.308 3.672 3.960 0.034 0.000 0.257 143 G HA3 -0.308 3.672 3.960 0.034 0.000 0.257 143 G C 0.487 175.434 174.900 0.078 0.000 1.010 143 G CA 0.414 45.555 45.100 0.068 0.000 0.736 143 G HN 0.482 nan 8.290 nan 0.000 0.513 144 A N -0.781 122.085 122.820 0.076 0.000 2.322 144 A HA 0.728 5.069 4.320 0.034 0.000 0.269 144 A C 0.508 178.175 177.584 0.138 0.000 1.094 144 A CA -0.009 52.079 52.037 0.085 0.000 0.807 144 A CB 1.263 20.295 19.000 0.054 0.000 1.047 144 A HN 1.096 nan 8.150 nan 0.000 0.487 145 V N 2.808 122.812 119.914 0.150 0.000 2.406 145 V HA 0.332 4.472 4.120 0.034 0.000 0.272 145 V C -0.092 176.136 176.094 0.223 0.000 1.043 145 V CA -0.018 62.401 62.300 0.199 0.000 0.915 145 V CB 0.731 32.661 31.823 0.179 0.000 0.988 145 V HN 0.713 nan 8.190 nan 0.000 0.466 146 L N 6.418 127.830 121.223 0.316 0.000 2.341 146 L HA 0.750 5.110 4.340 0.034 0.000 0.278 146 L C -0.845 176.322 176.870 0.496 0.000 1.005 146 L CA -0.251 54.827 54.840 0.396 0.000 0.818 146 L CB 1.868 44.157 42.059 0.383 0.000 1.259 146 L HN 0.432 nan 8.230 nan 0.000 0.418 147 V N 3.186 123.362 119.914 0.436 0.000 2.656 147 V HA 0.712 4.853 4.120 0.034 0.000 0.307 147 V C -0.473 175.872 176.094 0.418 0.000 1.051 147 V CA -0.423 62.081 62.300 0.340 0.000 0.893 147 V CB 2.020 33.965 31.823 0.204 0.000 0.999 147 V HN 0.855 nan 8.190 nan 0.000 0.426 148 S N 5.156 121.094 115.700 0.397 0.000 2.549 148 S HA 0.906 5.396 4.470 0.034 0.000 0.280 148 S C -0.849 173.899 174.600 0.246 0.000 1.109 148 S CA -0.819 57.621 58.200 0.400 0.000 0.905 148 S CB 2.381 65.947 63.200 0.610 0.000 1.081 148 S HN 0.894 nan 8.310 nan 0.000 0.477 149 M N 1.304 121.018 119.600 0.190 0.000 2.591 149 M HA 0.643 5.143 4.480 0.034 0.000 0.306 149 M C -1.884 174.606 176.300 0.316 0.000 1.190 149 M CA -0.558 54.840 55.300 0.163 0.000 0.889 149 M CB 1.335 33.870 32.600 -0.108 0.000 1.728 149 M HN 0.563 nan 8.290 nan 0.000 0.458 150 N N 2.600 121.551 118.700 0.418 0.000 2.518 150 N HA 0.586 5.346 4.740 0.034 0.000 0.283 150 N C -1.418 174.342 175.510 0.416 0.000 1.119 150 N CA 0.099 53.408 53.050 0.430 0.000 0.983 150 N CB 0.629 39.318 38.487 0.336 0.000 1.139 150 N HN 0.709 nan 8.380 nan 0.000 0.465 151 Y N -1.611 118.839 120.300 0.249 0.000 2.545 151 Y HA 0.585 5.156 4.550 0.034 0.000 0.348 151 Y C 0.017 176.049 175.900 0.220 0.000 1.002 151 Y CA -1.355 56.860 58.100 0.192 0.000 1.039 151 Y CB 0.922 39.431 38.460 0.081 0.000 1.271 151 Y HN 0.190 nan 8.280 nan 0.000 0.467 152 R N 1.790 122.437 120.500 0.246 0.000 2.537 152 R HA 0.473 4.834 4.340 0.034 0.000 0.280 152 R C -0.323 176.150 176.300 0.288 0.000 1.058 152 R CA -0.180 56.025 56.100 0.176 0.000 1.057 152 R CB 0.823 31.190 30.300 0.111 0.000 0.973 152 R HN 0.726 nan 8.270 nan 0.000 0.438 153 V N -0.234 119.878 119.914 0.329 0.000 3.158 153 V HA 0.890 5.031 4.120 0.034 0.000 0.315 153 V C 0.728 177.139 176.094 0.529 0.000 1.148 153 V CA -0.083 62.523 62.300 0.509 0.000 1.042 153 V CB 1.232 33.261 31.823 0.343 0.000 1.101 153 V HN 0.968 nan 8.190 nan 0.000 0.448 154 G N 1.877 111.017 108.800 0.567 0.000 2.564 154 G HA2 -0.292 3.689 3.960 0.034 0.000 0.273 154 G HA3 -0.292 3.689 3.960 0.034 0.000 0.273 154 G C 1.011 176.037 174.900 0.210 0.000 1.242 154 G CA 1.465 46.813 45.100 0.412 0.000 0.951 154 G HN 2.359 nan 8.290 nan 0.000 0.564 155 T N -1.645 112.762 114.554 -0.246 0.000 2.699 155 T HA -0.129 4.241 4.350 0.034 0.000 0.268 155 T C 2.133 176.707 174.700 -0.210 0.000 1.036 155 T CA 2.644 64.369 62.100 -0.626 0.000 1.147 155 T CB -0.435 67.928 68.868 -0.841 0.000 0.862 155 T HN 0.602 nan 8.240 nan 0.000 0.446 156 F N 2.181 122.192 119.950 0.102 0.000 2.216 156 F HA 0.214 4.762 4.527 0.034 0.000 0.300 156 F C 2.740 178.544 175.800 0.007 0.000 1.085 156 F CA 0.807 58.828 58.000 0.034 0.000 1.326 156 F CB -0.908 38.086 39.000 -0.011 0.000 1.027 156 F HN 0.383 nan 8.300 nan 0.000 0.497 157 G N -2.133 106.743 108.800 0.126 0.000 2.656 157 G HA2 0.034 4.014 3.960 0.034 0.000 0.211 157 G HA3 0.034 4.014 3.960 0.034 0.000 0.211 157 G C 0.866 175.309 174.900 -0.763 0.000 1.137 157 G CA 0.223 45.140 45.100 -0.304 0.000 0.802 157 G HN 0.352 nan 8.290 nan 0.000 0.527 158 F N -0.669 119.363 119.950 0.137 0.000 2.915 158 F HA 0.424 4.972 4.527 0.035 0.000 0.347 158 F C 0.410 176.276 175.800 0.109 0.000 1.104 158 F CA -0.957 57.105 58.000 0.103 0.000 1.126 158 F CB 0.336 39.407 39.000 0.118 0.000 1.145 158 F HN -0.097 nan 8.300 nan 0.000 0.541 159 L N 2.288 123.533 121.223 0.036 0.000 2.513 159 L HA 0.480 4.840 4.340 0.034 0.000 0.272 159 L C 0.022 176.840 176.870 -0.086 0.000 1.187 159 L CA 0.097 54.839 54.840 -0.164 0.000 0.895 159 L CB 0.351 42.019 42.059 -0.651 0.000 1.147 159 L HN 0.144 nan 8.230 nan 0.000 0.483 160 A N 6.409 129.230 122.820 0.003 0.000 2.374 160 A HA 0.668 5.008 4.320 0.034 0.000 0.305 160 A C -1.077 176.483 177.584 -0.040 0.000 1.053 160 A CA -0.586 51.440 52.037 -0.019 0.000 0.726 160 A CB 1.235 20.257 19.000 0.036 0.000 1.229 160 A HN 0.701 nan 8.150 nan 0.000 0.431 161 L N 3.610 124.795 121.223 -0.064 0.000 2.371 161 L HA 0.328 4.689 4.340 0.034 0.000 0.262 161 L C -2.447 174.410 176.870 -0.023 0.000 1.054 161 L CA -1.767 53.045 54.840 -0.046 0.000 0.924 161 L CB 1.498 43.517 42.059 -0.067 0.000 1.295 161 L HN 0.410 nan 8.230 nan 0.000 0.441 162 P HA 0.110 nan 4.420 nan 0.000 0.264 162 P C 0.949 178.248 177.300 -0.000 0.000 1.193 162 P CA 0.597 63.697 63.100 -0.001 0.000 0.763 162 P CB 1.022 32.722 31.700 0.001 0.000 0.810 163 G N 1.768 110.572 108.800 0.006 0.000 2.217 163 G HA2 -0.245 3.735 3.960 0.034 0.000 0.246 163 G HA3 -0.245 3.735 3.960 0.034 0.000 0.246 163 G C 0.434 175.337 174.900 0.006 0.000 0.990 163 G CA 0.273 45.377 45.100 0.006 0.000 0.627 163 G HN 0.803 nan 8.290 nan 0.000 0.522 164 S N -0.400 115.302 115.700 0.002 0.000 2.614 164 S HA 0.606 5.097 4.470 0.034 0.000 0.265 164 S C 1.192 175.800 174.600 0.013 0.000 1.303 164 S CA 0.399 58.601 58.200 0.003 0.000 1.000 164 S CB 1.913 65.108 63.200 -0.008 0.000 0.935 164 S HN 0.412 nan 8.310 nan 0.000 0.551 165 R N 0.339 120.849 120.500 0.016 0.000 2.173 165 R HA 0.030 4.390 4.340 0.034 0.000 0.208 165 R C 1.230 177.550 176.300 0.034 0.000 1.035 165 R CA 0.962 57.077 56.100 0.025 0.000 1.004 165 R CB -0.022 30.291 30.300 0.022 0.000 0.917 165 R HN 0.913 nan 8.270 nan 0.000 0.462 166 E N -1.005 119.216 120.200 0.035 0.000 2.476 166 E HA 0.103 4.473 4.350 0.034 0.000 0.199 166 E C -0.301 176.349 176.600 0.084 0.000 1.021 166 E CA 0.147 56.583 56.400 0.060 0.000 0.907 166 E CB 1.126 30.864 29.700 0.063 0.000 0.974 166 E HN 0.148 nan 8.360 nan 0.000 0.489 167 A N 2.622 125.462 122.820 0.034 0.000 3.307 167 A HA 0.343 4.683 4.320 0.034 0.000 0.289 167 A C -2.256 175.326 177.584 -0.003 0.000 1.138 167 A CA -0.891 51.150 52.037 0.007 0.000 0.860 167 A CB 0.872 19.788 19.000 -0.140 0.000 1.318 167 A HN -0.083 nan 8.150 nan 0.000 0.551 168 P HA 0.188 nan 4.420 nan 0.000 0.241 168 P C 0.877 178.191 177.300 0.023 0.000 1.191 168 P CA 1.600 64.714 63.100 0.024 0.000 0.771 168 P CB 0.201 31.924 31.700 0.038 0.000 0.929 169 G N 0.982 109.793 108.800 0.017 0.000 2.699 169 G HA2 -0.181 3.800 3.960 0.034 0.000 0.686 169 G HA3 -0.181 3.800 3.960 0.034 0.000 0.686 169 G C -0.119 174.775 174.900 -0.010 0.000 1.301 169 G CA -0.331 44.781 45.100 0.020 0.000 0.816 169 G HN 0.126 nan 8.290 nan 0.000 0.595 170 N N -2.289 116.401 118.700 -0.017 0.000 2.708 170 N HA -0.279 4.481 4.740 0.034 0.000 0.251 170 N C 1.882 177.251 175.510 -0.236 0.000 1.123 170 N CA 2.359 55.337 53.050 -0.121 0.000 0.739 170 N CB -1.665 36.686 38.487 -0.226 0.000 1.113 170 N HN 1.922 nan 8.380 nan 0.000 0.561 171 V N -2.734 117.039 119.914 -0.236 0.000 2.515 171 V HA -0.009 4.131 4.120 0.034 0.000 0.250 171 V C 2.307 178.279 176.094 -0.203 0.000 1.058 171 V CA 2.275 64.483 62.300 -0.153 0.000 1.064 171 V CB -0.887 30.894 31.823 -0.070 0.000 0.675 171 V HN 0.272 nan 8.190 nan 0.000 0.461 172 G N 0.326 108.819 108.800 -0.511 0.000 2.432 172 G HA2 -0.125 3.855 3.960 0.034 0.000 0.219 172 G HA3 -0.125 3.855 3.960 0.034 0.000 0.219 172 G C 1.552 176.422 174.900 -0.050 0.000 1.135 172 G CA 1.122 46.052 45.100 -0.284 0.000 0.767 172 G HN 0.539 nan 8.290 nan 0.000 0.550 173 L N -0.187 120.953 121.223 -0.138 0.000 2.109 173 L HA 0.080 4.440 4.340 0.034 0.000 0.207 173 L C 2.796 179.681 176.870 0.025 0.000 1.086 173 L CA 0.378 55.109 54.840 -0.181 0.000 0.760 173 L CB -0.312 41.315 42.059 -0.719 0.000 0.910 173 L HN 0.178 nan 8.230 nan 0.000 0.437 174 L N -0.495 120.753 121.223 0.042 0.000 2.191 174 L HA -0.210 4.150 4.340 0.034 0.000 0.212 174 L C 2.121 179.113 176.870 0.205 0.000 1.103 174 L CA 0.800 55.761 54.840 0.202 0.000 0.769 174 L CB -0.623 41.535 42.059 0.164 0.000 0.908 174 L HN 0.272 nan 8.230 nan 0.000 0.438 175 D N -0.009 120.502 120.400 0.184 0.000 2.097 175 D HA -0.195 4.466 4.640 0.034 0.000 0.195 175 D C 2.299 178.747 176.300 0.247 0.000 0.989 175 D CA 1.183 55.371 54.000 0.313 0.000 0.827 175 D CB -0.180 40.824 40.800 0.341 0.000 0.966 175 D HN 0.406 nan 8.370 nan 0.000 0.456 176 Q N 0.150 120.031 119.800 0.135 0.000 2.050 176 Q HA -0.134 4.227 4.340 0.034 0.000 0.202 176 Q C 2.290 178.289 176.000 -0.002 0.000 0.980 176 Q CA 1.123 56.924 55.803 -0.004 0.000 0.840 176 Q CB -0.100 28.622 28.738 -0.026 0.000 0.898 176 Q HN 0.197 nan 8.270 nan 0.000 0.424 177 R N 0.613 121.231 120.500 0.197 0.000 2.096 177 R HA -0.175 4.185 4.340 0.034 0.000 0.235 177 R C 2.171 178.542 176.300 0.119 0.000 1.127 177 R CA 1.041 57.261 56.100 0.201 0.000 0.968 177 R CB -0.229 30.286 30.300 0.358 0.000 0.861 177 R HN 0.228 nan 8.270 nan 0.000 0.440 178 L N 0.738 122.052 121.223 0.152 0.000 2.083 178 L HA -0.035 4.325 4.340 0.034 0.000 0.209 178 L C 2.249 179.154 176.870 0.058 0.000 1.083 178 L CA 2.053 57.003 54.840 0.182 0.000 0.752 178 L CB -0.566 41.688 42.059 0.324 0.000 0.899 178 L HN 0.273 nan 8.230 nan 0.000 0.433 179 A N -1.140 121.510 122.820 -0.284 0.000 1.969 179 A HA -0.119 4.222 4.320 0.034 0.000 0.218 179 A C 2.064 179.585 177.584 -0.105 0.000 1.169 179 A CA 1.525 53.236 52.037 -0.543 0.000 0.635 179 A CB -0.650 17.788 19.000 -0.937 0.000 0.810 179 A HN 0.397 nan 8.150 nan 0.000 0.445 180 L N -0.475 120.708 121.223 -0.067 0.000 2.056 180 L HA -0.156 4.204 4.340 0.034 0.000 0.207 180 L C 2.599 179.522 176.870 0.090 0.000 1.078 180 L CA 1.930 56.774 54.840 0.006 0.000 0.749 180 L CB -1.050 40.981 42.059 -0.047 0.000 0.901 180 L HN 0.447 nan 8.230 nan 0.000 0.433 181 Q N -2.233 117.633 119.800 0.109 0.000 2.084 181 Q HA -0.261 4.099 4.340 0.034 0.000 0.202 181 Q C 2.124 178.220 176.000 0.159 0.000 0.978 181 Q CA 1.912 57.788 55.803 0.122 0.000 0.844 181 Q CB -0.367 28.449 28.738 0.130 0.000 0.898 181 Q HN 0.573 nan 8.270 nan 0.000 0.426 182 W N -0.047 121.268 121.300 0.026 0.000 2.338 182 W HA -0.243 4.438 4.660 0.034 0.000 0.304 182 W C 1.779 178.328 176.519 0.050 0.000 1.212 182 W CA 1.355 58.732 57.345 0.054 0.000 1.264 182 W CB -0.125 29.368 29.460 0.055 0.000 1.142 182 W HN -0.113 nan 8.180 nan 0.000 0.512 183 V N 0.864 121.001 119.914 0.371 0.000 2.343 183 V HA -0.343 3.797 4.120 0.034 0.000 0.247 183 V C 2.555 178.681 176.094 0.053 0.000 1.051 183 V CA 2.044 64.487 62.300 0.239 0.000 1.036 183 V CB -0.994 30.972 31.823 0.238 0.000 0.654 183 V HN 0.209 nan 8.190 nan 0.000 0.451 184 Q N 0.046 119.878 119.800 0.053 0.000 2.061 184 Q HA -0.246 4.114 4.340 0.034 0.000 0.204 184 Q C 2.190 178.167 176.000 -0.039 0.000 0.984 184 Q CA 1.930 57.748 55.803 0.025 0.000 0.846 184 Q CB -0.342 28.417 28.738 0.036 0.000 0.902 184 Q HN 0.735 nan 8.270 nan 0.000 0.421 185 E N -0.283 119.857 120.200 -0.100 0.000 2.285 185 E HA -0.033 4.338 4.350 0.034 0.000 0.194 185 E C 1.206 177.656 176.600 -0.250 0.000 0.997 185 E CA 0.459 56.766 56.400 -0.156 0.000 0.845 185 E CB 0.215 29.815 29.700 -0.166 0.000 0.782 185 E HN 0.302 nan 8.360 nan 0.000 0.491 186 N N -0.251 118.214 118.700 -0.391 0.000 2.239 186 N HA 0.036 4.796 4.740 0.034 0.000 0.208 186 N C 1.299 176.713 175.510 -0.161 0.000 1.200 186 N CA 0.053 52.814 53.050 -0.482 0.000 0.895 186 N CB 0.615 38.349 38.487 -1.254 0.000 1.085 186 N HN 0.049 nan 8.380 nan 0.000 0.500 187 I N 2.172 122.712 120.570 -0.050 0.000 2.546 187 I HA 0.010 4.200 4.170 0.034 0.000 0.255 187 I C 2.093 178.343 176.117 0.222 0.000 1.163 187 I CA 0.525 61.929 61.300 0.173 0.000 1.457 187 I CB -0.243 37.831 38.000 0.123 0.000 1.092 187 I HN 0.037 nan 8.210 nan 0.000 0.434 188 A N 0.463 123.334 122.820 0.085 0.000 1.978 188 A HA -0.177 4.164 4.320 0.034 0.000 0.220 188 A C 2.461 180.054 177.584 0.015 0.000 1.170 188 A CA 1.713 53.778 52.037 0.047 0.000 0.636 188 A CB -1.129 17.870 19.000 -0.002 0.000 0.810 188 A HN 0.481 nan 8.150 nan 0.000 0.448 189 A N -1.636 121.157 122.820 -0.047 0.000 2.070 189 A HA 0.099 4.440 4.320 0.034 0.000 0.220 189 A C 1.504 178.883 177.584 -0.342 0.000 1.159 189 A CA 1.141 53.035 52.037 -0.238 0.000 0.656 189 A CB -0.611 18.150 19.000 -0.398 0.000 0.800 189 A HN 0.505 nan 8.150 nan 0.000 0.453 190 F N -1.298 118.612 119.950 -0.067 0.000 2.695 190 F HA 0.382 4.930 4.527 0.034 0.000 0.303 190 F C 1.780 177.597 175.800 0.029 0.000 1.091 190 F CA 0.468 58.447 58.000 -0.035 0.000 1.300 190 F CB 0.237 39.230 39.000 -0.011 0.000 1.071 190 F HN 0.315 nan 8.300 nan 0.000 0.578 191 G N 0.290 109.184 108.800 0.157 0.000 2.157 191 G HA2 -0.202 3.778 3.960 0.034 0.000 0.248 191 G HA3 -0.202 3.778 3.960 0.034 0.000 0.248 191 G C 0.705 175.681 174.900 0.126 0.000 0.979 191 G CA -0.219 44.950 45.100 0.117 0.000 0.650 191 G HN 0.726 nan 8.290 nan 0.000 0.529 192 G N -0.550 108.346 108.800 0.160 0.000 2.539 192 G HA2 0.458 4.438 3.960 0.034 0.000 0.258 192 G HA3 0.458 4.438 3.960 0.034 0.000 0.258 192 G C -0.662 174.292 174.900 0.090 0.000 1.202 192 G CA 0.334 45.511 45.100 0.129 0.000 0.851 192 G HN 0.226 nan 8.290 nan 0.000 0.556 193 D N 1.045 121.490 120.400 0.075 0.000 2.412 193 D HA 0.302 4.962 4.640 0.034 0.000 0.224 193 D C -1.236 175.105 176.300 0.069 0.000 1.093 193 D CA -2.355 51.674 54.000 0.048 0.000 0.850 193 D CB 1.958 42.770 40.800 0.021 0.000 1.046 193 D HN 0.031 nan 8.370 nan 0.000 0.507 194 P HA -0.057 nan 4.420 nan 0.000 0.230 194 P C 1.202 178.612 177.300 0.184 0.000 1.158 194 P CA 0.554 63.723 63.100 0.115 0.000 0.769 194 P CB 0.185 31.931 31.700 0.076 0.000 0.807 195 M N -1.158 118.475 119.600 0.055 0.000 2.618 195 M HA 0.094 4.594 4.480 0.034 0.000 0.240 195 M C 0.698 176.699 176.300 -0.498 0.000 1.123 195 M CA 0.687 55.898 55.300 -0.148 0.000 1.060 195 M CB -0.347 32.157 32.600 -0.159 0.000 1.535 195 M HN -0.113 nan 8.290 nan 0.000 0.507 196 S N 1.003 116.640 115.700 -0.104 0.000 2.383 196 S HA 0.443 4.933 4.470 0.034 0.000 0.196 196 S C -1.119 173.590 174.600 0.182 0.000 1.364 196 S CA -0.430 57.750 58.200 -0.034 0.000 1.212 196 S CB 0.530 63.684 63.200 -0.077 0.000 1.171 196 S HN 0.002 nan 8.310 nan 0.000 0.456 197 V N 4.123 124.290 119.914 0.421 0.000 2.444 197 V HA 0.538 4.678 4.120 0.034 0.000 0.294 197 V C -0.053 176.196 176.094 0.258 0.000 1.022 197 V CA -0.429 62.040 62.300 0.282 0.000 0.850 197 V CB 1.906 33.881 31.823 0.253 0.000 0.992 197 V HN 0.746 nan 8.190 nan 0.000 0.426 198 T N 6.636 121.298 114.554 0.181 0.000 2.770 198 T HA 0.578 4.948 4.350 0.034 0.000 0.283 198 T C -0.180 174.638 174.700 0.197 0.000 0.988 198 T CA -0.336 61.869 62.100 0.175 0.000 0.957 198 T CB 0.836 69.755 68.868 0.084 0.000 0.930 198 T HN 0.337 nan 8.240 nan 0.000 0.443 199 L N 5.008 126.325 121.223 0.156 0.000 2.349 199 L HA 0.627 4.987 4.340 0.034 0.000 0.275 199 L C -0.340 176.725 176.870 0.325 0.000 1.115 199 L CA -0.716 54.184 54.840 0.101 0.000 0.820 199 L CB 0.225 42.119 42.059 -0.276 0.000 1.135 199 L HN 0.622 nan 8.230 nan 0.000 0.445 200 F N 0.664 120.672 119.950 0.097 0.000 2.613 200 F HA 0.968 5.516 4.527 0.034 0.000 0.310 200 F C -0.283 175.499 175.800 -0.029 0.000 1.085 200 F CA -1.553 56.555 58.000 0.180 0.000 0.945 200 F CB 1.604 40.858 39.000 0.423 0.000 1.298 200 F HN 0.465 nan 8.300 nan 0.000 0.455 201 G N 0.993 109.696 108.800 -0.162 0.000 2.601 201 G HA2 0.492 4.473 3.960 0.034 0.000 0.291 201 G HA3 0.492 4.473 3.960 0.034 0.000 0.291 201 G C -2.555 172.156 174.900 -0.315 0.000 1.456 201 G CA -0.784 43.826 45.100 -0.818 0.000 0.804 201 G HN 0.875 nan 8.290 nan 0.000 0.499 202 E N 0.244 120.220 120.200 -0.374 0.000 2.288 202 E HA 0.641 5.011 4.350 0.034 0.000 0.268 202 E C 0.637 177.216 176.600 -0.034 0.000 0.885 202 E CA 0.286 56.693 56.400 0.011 0.000 0.767 202 E CB 2.247 32.093 29.700 0.244 0.000 1.220 202 E HN 0.948 nan 8.360 nan 0.000 0.427 203 S N 2.659 118.416 115.700 0.096 0.000 4.114 203 S HA -0.397 4.094 4.470 0.034 0.000 0.618 203 S C 1.476 176.189 174.600 0.188 0.000 1.937 203 S CA 2.263 60.592 58.200 0.216 0.000 4.228 203 S CB -1.595 61.668 63.200 0.106 0.000 0.216 203 S HN 0.996 nan 8.310 nan 0.000 0.528 204 A N 1.023 123.823 122.820 -0.033 0.000 2.024 204 A HA 0.145 4.486 4.320 0.034 0.000 0.220 204 A C 2.481 179.816 177.584 -0.414 0.000 1.164 204 A CA 2.422 54.230 52.037 -0.381 0.000 0.643 204 A CB -1.567 16.780 19.000 -1.089 0.000 0.806 204 A HN 1.599 nan 8.150 nan 0.000 0.451 205 G N -0.639 107.976 108.800 -0.309 0.000 2.408 205 G HA2 0.044 4.025 3.960 0.034 0.000 0.217 205 G HA3 0.044 4.025 3.960 0.034 0.000 0.217 205 G C 1.691 176.428 174.900 -0.272 0.000 1.150 205 G CA 1.246 46.114 45.100 -0.386 0.000 0.776 205 G HN 0.751 nan 8.290 nan 0.000 0.542 206 A N 1.193 123.932 122.820 -0.136 0.000 1.898 206 A HA 0.346 4.686 4.320 0.034 0.000 0.216 206 A C 2.801 180.389 177.584 0.007 0.000 1.181 206 A CA 2.051 54.073 52.037 -0.025 0.000 0.620 206 A CB -0.759 18.287 19.000 0.075 0.000 0.819 206 A HN 0.727 nan 8.150 nan 0.000 0.442 207 A N -0.406 122.441 122.820 0.045 0.000 1.933 207 A HA -0.061 4.280 4.320 0.034 0.000 0.218 207 A C 2.414 180.035 177.584 0.062 0.000 1.175 207 A CA 2.035 54.093 52.037 0.035 0.000 0.628 207 A CB -0.785 18.241 19.000 0.043 0.000 0.814 207 A HN 0.450 nan 8.150 nan 0.000 0.444 208 S N -0.360 115.378 115.700 0.064 0.000 2.356 208 S HA -0.141 4.350 4.470 0.034 0.000 0.223 208 S C 1.897 176.550 174.600 0.089 0.000 1.032 208 S CA 1.433 59.660 58.200 0.046 0.000 1.005 208 S CB -0.560 62.595 63.200 -0.075 0.000 0.867 208 S HN 0.350 nan 8.310 nan 0.000 0.449 209 V N 1.847 121.774 119.914 0.021 0.000 2.332 209 V HA -0.195 3.946 4.120 0.034 0.000 0.248 209 V C 2.631 178.758 176.094 0.055 0.000 1.055 209 V CA 2.003 64.306 62.300 0.005 0.000 1.038 209 V CB -1.549 30.239 31.823 -0.058 0.000 0.651 209 V HN 0.606 nan 8.190 nan 0.000 0.450 210 G N -0.978 107.844 108.800 0.037 0.000 2.440 210 G HA2 -0.296 3.684 3.960 0.034 0.000 0.218 210 G HA3 -0.296 3.684 3.960 0.034 0.000 0.218 210 G C 1.623 176.564 174.900 0.068 0.000 1.154 210 G CA 1.134 46.255 45.100 0.036 0.000 0.767 210 G HN 0.452 nan 8.290 nan 0.000 0.552 211 M N -0.157 119.470 119.600 0.046 0.000 2.296 211 M HA 0.018 4.519 4.480 0.034 0.000 0.265 211 M C 2.251 178.620 176.300 0.116 0.000 1.064 211 M CA 0.843 56.184 55.300 0.068 0.000 1.109 211 M CB -0.184 32.412 32.600 -0.007 0.000 1.396 211 M HN 0.247 nan 8.290 nan 0.000 0.430 212 H N -0.434 118.754 119.070 0.197 0.000 2.428 212 H HA -0.003 4.573 4.556 0.034 0.000 0.296 212 H C 2.112 177.637 175.328 0.329 0.000 1.062 212 H CA 1.363 57.533 56.048 0.202 0.000 1.350 212 H CB -0.175 29.583 29.762 -0.007 0.000 1.403 212 H HN 0.408 nan 8.280 nan 0.000 0.533 213 I N 0.812 121.634 120.570 0.419 0.000 2.286 213 I HA -0.237 3.954 4.170 0.034 0.000 0.248 213 I C 1.938 178.237 176.117 0.304 0.000 1.115 213 I CA 1.069 62.620 61.300 0.418 0.000 1.392 213 I CB -0.055 38.106 38.000 0.270 0.000 1.065 213 I HN 0.115 nan 8.210 nan 0.000 0.418 214 L N -0.887 120.469 121.223 0.222 0.000 2.591 214 L HA 0.097 4.458 4.340 0.034 0.000 0.228 214 L C 0.847 177.759 176.870 0.070 0.000 1.133 214 L CA 0.056 55.000 54.840 0.174 0.000 0.880 214 L CB -0.096 42.050 42.059 0.144 0.000 1.033 214 L HN 0.040 nan 8.230 nan 0.000 0.450 215 S N -0.255 115.450 115.700 0.009 0.000 2.566 215 S HA 0.261 4.751 4.470 0.034 0.000 0.324 215 S C 0.609 175.125 174.600 -0.140 0.000 1.081 215 S CA -0.619 57.468 58.200 -0.188 0.000 1.105 215 S CB 1.475 64.283 63.200 -0.653 0.000 0.981 215 S HN 0.118 nan 8.310 nan 0.000 0.464 216 L N 7.279 128.432 121.223 -0.117 0.000 2.013 216 L HA 0.076 4.436 4.340 0.034 0.000 0.212 216 L C -0.995 175.829 176.870 -0.077 0.000 1.073 216 L CA 2.193 56.986 54.840 -0.079 0.000 0.753 216 L CB -1.025 40.990 42.059 -0.073 0.000 0.890 216 L HN 0.510 nan 8.230 nan 0.000 0.432 217 P HA -0.088 nan 4.420 nan 0.000 0.221 217 P C 1.608 178.901 177.300 -0.011 0.000 1.145 217 P CA 1.290 64.350 63.100 -0.067 0.000 0.795 217 P CB 0.002 31.649 31.700 -0.089 0.000 0.775 218 S N -0.961 114.750 115.700 0.019 0.000 2.461 218 S HA 0.001 4.491 4.470 0.034 0.000 0.228 218 S C 1.816 176.559 174.600 0.239 0.000 1.005 218 S CA 0.503 58.834 58.200 0.218 0.000 0.942 218 S CB -0.357 63.116 63.200 0.456 0.000 0.776 218 S HN 0.082 nan 8.310 nan 0.000 0.514 219 R N 1.899 122.428 120.500 0.047 0.000 2.148 219 R HA 0.038 4.398 4.340 0.034 0.000 0.227 219 R C 2.207 178.320 176.300 -0.312 0.000 1.103 219 R CA 1.188 57.161 56.100 -0.210 0.000 0.983 219 R CB -1.013 29.195 30.300 -0.153 0.000 0.874 219 R HN 0.559 nan 8.270 nan 0.000 0.451 220 S N -0.141 115.471 115.700 -0.147 0.000 2.603 220 S HA 0.088 4.579 4.470 0.034 0.000 0.220 220 S C 1.665 176.188 174.600 -0.129 0.000 0.967 220 S CA 0.200 58.319 58.200 -0.135 0.000 0.920 220 S CB -0.131 63.034 63.200 -0.058 0.000 0.773 220 S HN 0.206 nan 8.310 nan 0.000 0.529 221 L N 0.353 121.535 121.223 -0.068 0.000 2.640 221 L HA 0.482 4.842 4.340 0.034 0.000 0.230 221 L C 0.001 176.911 176.870 0.067 0.000 1.123 221 L CA -0.316 54.544 54.840 0.034 0.000 0.900 221 L CB -0.094 42.042 42.059 0.128 0.000 1.146 221 L HN 0.491 nan 8.230 nan 0.000 0.484 222 F N -4.074 115.674 119.950 -0.336 0.000 2.741 222 F HA 0.469 5.017 4.527 0.034 0.000 0.313 222 F C 0.379 175.824 175.800 -0.592 0.000 1.153 222 F CA -1.040 56.711 58.000 -0.414 0.000 0.931 222 F CB 0.782 39.698 39.000 -0.141 0.000 1.335 222 F HN -0.150 nan 8.300 nan 0.000 0.460 223 H N -0.498 118.600 119.070 0.047 0.000 3.017 223 H HA 0.463 5.040 4.556 0.034 0.000 0.255 223 H C -0.036 175.299 175.328 0.010 0.000 0.990 223 H CA 0.037 56.044 56.048 -0.069 0.000 1.205 223 H CB 0.953 30.687 29.762 -0.046 0.000 1.460 223 H HN 0.452 nan 8.280 nan 0.000 0.478 224 R N 0.024 120.684 120.500 0.267 0.000 2.817 224 R HA 0.736 5.097 4.340 0.034 0.000 0.268 224 R C -1.398 175.143 176.300 0.402 0.000 1.027 224 R CA -0.720 55.513 56.100 0.221 0.000 0.928 224 R CB 2.793 33.033 30.300 -0.101 0.000 1.228 224 R HN 0.141 nan 8.270 nan 0.000 0.469 225 A N 0.720 123.795 122.820 0.424 0.000 2.574 225 A HA 0.662 5.003 4.320 0.034 0.000 0.297 225 A C -1.611 176.161 177.584 0.314 0.000 1.062 225 A CA -0.579 51.664 52.037 0.343 0.000 0.686 225 A CB 1.929 21.105 19.000 0.292 0.000 1.285 225 A HN 0.280 nan 8.150 nan 0.000 0.403 226 V N 1.811 121.860 119.914 0.226 0.000 2.577 226 V HA 0.558 4.698 4.120 0.034 0.000 0.303 226 V C -1.218 174.991 176.094 0.192 0.000 1.042 226 V CA -0.297 62.086 62.300 0.138 0.000 0.872 226 V CB 1.394 33.331 31.823 0.190 0.000 0.998 226 V HN 0.697 nan 8.190 nan 0.000 0.423 227 L N 4.983 126.293 121.223 0.144 0.000 2.345 227 L HA 0.524 4.885 4.340 0.034 0.000 0.274 227 L C -0.094 176.896 176.870 0.199 0.000 0.999 227 L CA 0.009 54.928 54.840 0.132 0.000 0.849 227 L CB 1.674 43.767 42.059 0.056 0.000 1.220 227 L HN 0.622 nan 8.230 nan 0.000 0.422 228 Q N 1.934 121.904 119.800 0.284 0.000 2.340 228 Q HA 0.437 4.797 4.340 0.034 0.000 0.259 228 Q C 0.226 176.392 176.000 0.277 0.000 0.964 228 Q CA -0.499 55.533 55.803 0.382 0.000 0.900 228 Q CB 1.317 30.365 28.738 0.518 0.000 1.228 228 Q HN 0.622 nan 8.270 nan 0.000 0.449 229 S N 1.045 116.893 115.700 0.246 0.000 3.614 229 S HA -0.169 4.322 4.470 0.034 0.000 0.360 229 S C 0.006 174.827 174.600 0.368 0.000 1.023 229 S CA 0.573 58.955 58.200 0.304 0.000 1.114 229 S CB -1.139 62.290 63.200 0.383 0.000 0.907 229 S HN 0.981 nan 8.310 nan 0.000 0.470 230 G N -0.384 108.576 108.800 0.267 0.000 2.616 230 G HA2 0.633 4.614 3.960 0.034 0.000 0.294 230 G HA3 0.633 4.614 3.960 0.034 0.000 0.294 230 G C -0.920 174.060 174.900 0.133 0.000 1.489 230 G CA 0.192 45.486 45.100 0.324 0.000 0.836 230 G HN 0.889 nan 8.290 nan 0.000 0.527 231 T N -1.069 113.508 114.554 0.038 0.000 2.868 231 T HA 0.750 5.120 4.350 0.034 0.000 0.306 231 T C -2.341 172.228 174.700 -0.218 0.000 1.224 231 T CA -1.408 60.635 62.100 -0.094 0.000 1.012 231 T CB 3.073 71.866 68.868 -0.125 0.000 1.221 231 T HN 0.274 nan 8.240 nan 0.000 0.499 232 P HA 0.003 nan 4.420 nan 0.000 0.221 232 P C 0.291 177.442 177.300 -0.249 0.000 1.155 232 P CA 0.603 63.589 63.100 -0.189 0.000 0.812 232 P CB -0.052 31.593 31.700 -0.091 0.000 0.801 233 N N 0.651 119.222 118.700 -0.215 0.000 2.347 233 N HA 0.271 5.032 4.740 0.034 0.000 0.253 233 N C 0.827 176.141 175.510 -0.326 0.000 1.274 233 N CA 0.662 53.583 53.050 -0.216 0.000 0.941 233 N CB -0.112 38.289 38.487 -0.144 0.000 1.200 233 N HN 0.209 nan 8.380 nan 0.000 0.514 234 G N -0.920 107.704 108.800 -0.294 0.000 2.655 234 G HA2 -0.133 3.847 3.960 0.034 0.000 0.680 234 G HA3 -0.133 3.847 3.960 0.034 0.000 0.680 234 G C -2.236 172.419 174.900 -0.408 0.000 1.302 234 G CA -0.209 44.668 45.100 -0.373 0.000 0.872 234 G HN 0.549 nan 8.290 nan 0.000 0.540 235 P HA 0.135 nan 4.420 nan 0.000 0.240 235 P C 1.452 178.685 177.300 -0.113 0.000 1.190 235 P CA 1.948 64.909 63.100 -0.232 0.000 0.781 235 P CB -0.046 31.497 31.700 -0.261 0.000 0.931 236 W N -1.761 119.447 121.300 -0.153 0.000 2.865 236 W HA 0.591 5.271 4.660 0.034 0.000 0.300 236 W C 0.923 177.520 176.519 0.130 0.000 1.096 236 W CA 0.433 57.773 57.345 -0.009 0.000 1.524 236 W CB -0.697 28.785 29.460 0.037 0.000 0.991 236 W HN -0.166 nan 8.180 nan 0.000 0.571 237 A N 1.885 124.350 122.820 -0.592 0.000 2.132 237 A HA 0.171 4.511 4.320 0.034 0.000 0.213 237 A C 1.093 178.505 177.584 -0.287 0.000 1.154 237 A CA 1.650 53.406 52.037 -0.468 0.000 0.753 237 A CB -0.708 17.767 19.000 -0.876 0.000 0.826 237 A HN 0.202 nan 8.150 nan 0.000 0.469 238 T N -2.813 111.595 114.554 -0.243 0.000 2.901 238 T HA 0.632 5.002 4.350 0.034 0.000 0.293 238 T C -0.574 174.048 174.700 -0.130 0.000 1.084 238 T CA -0.121 61.858 62.100 -0.202 0.000 1.008 238 T CB 1.445 70.205 68.868 -0.180 0.000 1.170 238 T HN 0.854 nan 8.240 nan 0.000 0.509 239 V N -1.074 118.772 119.914 -0.113 0.000 3.001 239 V HA 0.904 5.045 4.120 0.034 0.000 0.314 239 V C 0.354 176.408 176.094 -0.067 0.000 1.099 239 V CA -0.813 61.438 62.300 -0.081 0.000 0.989 239 V CB 1.327 33.103 31.823 -0.078 0.000 1.040 239 V HN 1.367 nan 8.190 nan 0.000 0.434 240 S N 1.877 117.545 115.700 -0.054 0.000 2.608 240 S HA 0.562 5.052 4.470 0.034 0.000 0.261 240 S C 1.381 175.962 174.600 -0.033 0.000 1.314 240 S CA 0.132 58.307 58.200 -0.041 0.000 0.992 240 S CB 1.103 64.282 63.200 -0.036 0.000 0.935 240 S HN 1.941 nan 8.310 nan 0.000 0.564 241 A N 1.430 124.236 122.820 -0.023 0.000 1.930 241 A HA 0.167 4.507 4.320 0.034 0.000 0.217 241 A C 2.204 179.777 177.584 -0.017 0.000 1.175 241 A CA 1.539 53.567 52.037 -0.015 0.000 0.627 241 A CB -1.798 17.196 19.000 -0.009 0.000 0.815 241 A HN 1.132 nan 8.150 nan 0.000 0.443 242 G N -0.390 108.398 108.800 -0.020 0.000 2.418 242 G HA2 -0.238 3.743 3.960 0.034 0.000 0.217 242 G HA3 -0.238 3.743 3.960 0.034 0.000 0.217 242 G C 1.471 176.355 174.900 -0.026 0.000 1.158 242 G CA 1.350 46.438 45.100 -0.021 0.000 0.771 242 G HN 0.581 nan 8.290 nan 0.000 0.545 243 E N 0.798 120.978 120.200 -0.034 0.000 2.152 243 E HA 0.163 4.534 4.350 0.034 0.000 0.192 243 E C 2.580 179.148 176.600 -0.054 0.000 0.983 243 E CA 1.234 57.606 56.400 -0.046 0.000 0.818 243 E CB -0.409 29.259 29.700 -0.054 0.000 0.758 243 E HN 0.274 nan 8.360 nan 0.000 0.467 244 A N 0.858 123.654 122.820 -0.039 0.000 1.898 244 A HA -0.131 4.210 4.320 0.034 0.000 0.216 244 A C 2.270 179.859 177.584 0.009 0.000 1.181 244 A CA 1.560 53.587 52.037 -0.016 0.000 0.620 244 A CB -0.583 18.424 19.000 0.013 0.000 0.819 244 A HN 0.260 nan 8.150 nan 0.000 0.442 245 R N -0.478 120.020 120.500 -0.003 0.000 2.096 245 R HA -0.178 4.183 4.340 0.034 0.000 0.240 245 R C 2.477 178.774 176.300 -0.005 0.000 1.139 245 R CA 1.800 57.897 56.100 -0.005 0.000 0.952 245 R CB -0.329 29.964 30.300 -0.012 0.000 0.854 245 R HN 0.501 nan 8.270 nan 0.000 0.436 246 R N 0.515 121.006 120.500 -0.015 0.000 2.083 246 R HA -0.142 4.218 4.340 0.034 0.000 0.237 246 R C 2.191 178.483 176.300 -0.014 0.000 1.137 246 R CA 1.879 57.968 56.100 -0.018 0.000 0.951 246 R CB -0.131 30.152 30.300 -0.027 0.000 0.851 246 R HN 0.297 nan 8.270 nan 0.000 0.434 247 R N -0.344 120.138 120.500 -0.031 0.000 2.092 247 R HA -0.032 4.328 4.340 0.034 0.000 0.231 247 R C 2.321 178.694 176.300 0.123 0.000 1.119 247 R CA 1.178 57.251 56.100 -0.044 0.000 0.970 247 R CB -0.248 29.890 30.300 -0.270 0.000 0.864 247 R HN 0.239 nan 8.270 nan 0.000 0.440 248 A N 0.646 123.559 122.820 0.155 0.000 1.898 248 A HA -0.173 4.168 4.320 0.034 0.000 0.216 248 A C 2.279 179.880 177.584 0.028 0.000 1.181 248 A CA 2.018 54.133 52.037 0.130 0.000 0.620 248 A CB -0.839 18.179 19.000 0.030 0.000 0.819 248 A HN 0.434 nan 8.150 nan 0.000 0.442 249 T N -2.057 112.503 114.554 0.010 0.000 2.985 249 T HA -0.038 4.333 4.350 0.034 0.000 0.266 249 T C 1.743 176.443 174.700 0.000 0.000 1.076 249 T CA 1.337 63.431 62.100 -0.009 0.000 1.135 249 T CB -0.314 68.545 68.868 -0.016 0.000 0.890 249 T HN 0.151 nan 8.240 nan 0.000 0.480 250 L N 0.734 121.966 121.223 0.015 0.000 2.027 250 L HA 0.253 4.613 4.340 0.034 0.000 0.206 250 L C 2.330 179.212 176.870 0.020 0.000 1.074 250 L CA 1.604 56.452 54.840 0.013 0.000 0.745 250 L CB -1.115 40.952 42.059 0.015 0.000 0.898 250 L HN 0.395 nan 8.230 nan 0.000 0.433 251 L N -0.327 120.937 121.223 0.067 0.000 2.042 251 L HA -0.139 4.222 4.340 0.034 0.000 0.210 251 L C 2.490 179.367 176.870 0.012 0.000 1.076 251 L CA 2.002 56.887 54.840 0.074 0.000 0.749 251 L CB -0.779 41.372 42.059 0.154 0.000 0.893 251 L HN 0.283 nan 8.230 nan 0.000 0.432 252 A N -0.390 122.426 122.820 -0.008 0.000 1.883 252 A HA -0.279 4.061 4.320 0.034 0.000 0.217 252 A C 2.516 180.091 177.584 -0.016 0.000 1.186 252 A CA 1.966 53.991 52.037 -0.020 0.000 0.624 252 A CB -0.756 18.223 19.000 -0.035 0.000 0.822 252 A HN 0.501 nan 8.150 nan 0.000 0.444 253 R N -0.549 119.938 120.500 -0.022 0.000 2.103 253 R HA -0.130 4.231 4.340 0.034 0.000 0.242 253 R C 2.002 178.267 176.300 -0.058 0.000 1.142 253 R CA 1.723 57.806 56.100 -0.029 0.000 0.960 253 R CB -0.453 29.831 30.300 -0.027 0.000 0.858 253 R HN 0.583 nan 8.270 nan 0.000 0.439 254 L N 0.447 121.605 121.223 -0.108 0.000 2.201 254 L HA -0.103 4.258 4.340 0.034 0.000 0.212 254 L C 1.976 178.714 176.870 -0.220 0.000 1.105 254 L CA 0.714 55.385 54.840 -0.281 0.000 0.775 254 L CB -0.059 41.698 42.059 -0.504 0.000 0.913 254 L HN 0.174 nan 8.230 nan 0.000 0.440 255 V N -3.983 115.914 119.914 -0.029 0.000 3.542 255 V HA 0.497 4.638 4.120 0.034 0.000 0.296 255 V C 1.112 177.241 176.094 0.059 0.000 1.364 255 V CA 0.277 62.633 62.300 0.093 0.000 1.118 255 V CB -0.204 31.699 31.823 0.135 0.000 0.972 255 V HN 0.430 nan 8.190 nan 0.000 0.430 256 G N -0.528 108.287 108.800 0.024 0.000 2.140 256 G HA2 -0.203 3.778 3.960 0.034 0.000 0.211 256 G HA3 -0.203 3.778 3.960 0.034 0.000 0.211 256 G C -0.075 174.836 174.900 0.019 0.000 1.013 256 G CA -0.101 45.013 45.100 0.024 0.000 0.705 256 G HN 0.698 nan 8.290 nan 0.000 0.508 257 c N 0.915 119.522 118.600 0.012 0.000 2.408 257 c HA 0.775 5.365 4.570 0.034 0.000 0.321 257 c C -1.401 172.688 174.090 -0.001 0.000 1.245 257 c CA -1.242 55.092 56.329 0.009 0.000 1.523 257 c CB 1.685 44.201 42.510 0.009 0.000 2.178 257 c HN 0.434 nan 8.230 nan 0.000 0.488 266 D N -0.003 120.391 120.400 -0.010 0.000 2.117 266 D HA -0.078 4.582 4.640 0.034 0.000 0.197 266 D C 1.088 177.381 176.300 -0.011 0.000 0.987 266 D CA 2.246 56.236 54.000 -0.017 0.000 0.829 266 D CB -0.484 40.306 40.800 -0.017 0.000 0.961 266 D HN 0.707 nan 8.370 nan 0.000 0.460 267 T N 1.093 115.647 114.554 -0.001 0.000 2.665 267 T HA -0.178 4.193 4.350 0.034 0.000 0.268 267 T C 1.838 176.545 174.700 0.012 0.000 1.035 267 T CA 1.414 63.520 62.100 0.009 0.000 1.151 267 T CB -0.235 68.639 68.868 0.011 0.000 0.862 267 T HN 0.294 nan 8.240 nan 0.000 0.438 268 E N 0.330 120.535 120.200 0.007 0.000 2.072 268 E HA -0.015 4.356 4.350 0.034 0.000 0.191 268 E C 2.207 178.812 176.600 0.008 0.000 0.985 268 E CA 0.650 57.056 56.400 0.009 0.000 0.801 268 E CB -0.222 29.482 29.700 0.006 0.000 0.750 268 E HN 0.340 nan 8.360 nan 0.000 0.452 269 L N 0.714 121.935 121.223 -0.003 0.000 2.056 269 L HA -0.162 4.199 4.340 0.034 0.000 0.207 269 L C 2.106 178.968 176.870 -0.012 0.000 1.078 269 L CA 1.214 56.046 54.840 -0.013 0.000 0.749 269 L CB -0.005 42.036 42.059 -0.030 0.000 0.901 269 L HN 0.120 nan 8.230 nan 0.000 0.433 270 I N -0.550 120.013 120.570 -0.011 0.000 2.406 270 I HA -0.174 4.017 4.170 0.034 0.000 0.249 270 I C 2.654 178.829 176.117 0.095 0.000 1.122 270 I CA 0.862 62.172 61.300 0.017 0.000 1.431 270 I CB -0.493 37.513 38.000 0.009 0.000 1.087 270 I HN 0.268 nan 8.210 nan 0.000 0.424 271 A N -0.153 122.705 122.820 0.063 0.000 1.933 271 A HA -0.288 4.052 4.320 0.034 0.000 0.218 271 A C 2.512 180.132 177.584 0.061 0.000 1.175 271 A CA 1.951 54.025 52.037 0.062 0.000 0.628 271 A CB -1.274 17.749 19.000 0.039 0.000 0.814 271 A HN 0.625 nan 8.150 nan 0.000 0.444 272 c N -0.697 117.933 118.600 0.049 0.000 2.457 272 c HA 0.085 4.676 4.570 0.034 0.000 0.278 272 c C 2.552 176.681 174.090 0.066 0.000 1.309 272 c CA 0.922 57.279 56.329 0.045 0.000 1.735 272 c CB -1.525 41.003 42.510 0.030 0.000 1.992 272 c HN 0.578 nan 8.230 nan 0.000 0.493 273 L N 0.424 121.699 121.223 0.088 0.000 2.083 273 L HA -0.117 4.244 4.340 0.034 0.000 0.209 273 L C 2.997 179.983 176.870 0.193 0.000 1.083 273 L CA 1.526 56.452 54.840 0.144 0.000 0.752 273 L CB -0.643 41.504 42.059 0.148 0.000 0.899 273 L HN 0.357 nan 8.230 nan 0.000 0.433 274 R N -0.548 120.062 120.500 0.184 0.000 2.189 274 R HA -0.119 4.242 4.340 0.034 0.000 0.223 274 R C 2.251 178.571 176.300 0.034 0.000 1.092 274 R CA 1.689 57.839 56.100 0.083 0.000 0.989 274 R CB -0.348 29.993 30.300 0.067 0.000 0.876 274 R HN 0.513 nan 8.270 nan 0.000 0.457 275 T N -1.382 113.198 114.554 0.045 0.000 3.055 275 T HA 0.053 4.424 4.350 0.034 0.000 0.265 275 T C 0.958 175.674 174.700 0.027 0.000 1.111 275 T CA 0.140 62.256 62.100 0.027 0.000 1.118 275 T CB 0.106 68.991 68.868 0.028 0.000 0.909 275 T HN -0.118 nan 8.240 nan 0.000 0.501 276 R N 2.762 123.287 120.500 0.042 0.000 2.389 276 R HA 0.359 4.719 4.340 0.034 0.000 0.295 276 R C -2.632 173.683 176.300 0.026 0.000 1.075 276 R CA -2.556 53.569 56.100 0.042 0.000 1.005 276 R CB -0.098 30.240 30.300 0.063 0.000 0.987 276 R HN 0.267 nan 8.270 nan 0.000 0.452 277 P HA -0.078 nan 4.420 nan 0.000 0.264 277 P C 0.393 177.681 177.300 -0.019 0.000 1.179 277 P CA 0.324 63.411 63.100 -0.023 0.000 0.763 277 P CB 0.517 32.209 31.700 -0.014 0.000 0.806 278 A N 2.974 125.721 122.820 -0.123 0.000 1.903 278 A HA -0.298 4.042 4.320 0.034 0.000 0.219 278 A C 2.153 179.738 177.584 0.001 0.000 1.191 278 A CA 2.174 54.136 52.037 -0.125 0.000 0.638 278 A CB -1.249 17.203 19.000 -0.914 0.000 0.823 278 A HN 0.558 nan 8.150 nan 0.000 0.451 279 Q N -0.062 119.703 119.800 -0.059 0.000 2.224 279 Q HA -0.136 4.224 4.340 0.034 0.000 0.203 279 Q C 1.199 177.302 176.000 0.172 0.000 0.970 279 Q CA 1.857 57.790 55.803 0.217 0.000 0.865 279 Q CB -0.355 28.515 28.738 0.221 0.000 0.922 279 Q HN 0.643 nan 8.270 nan 0.000 0.445 280 D N -0.581 119.880 120.400 0.103 0.000 2.144 280 D HA -0.145 4.516 4.640 0.034 0.000 0.199 280 D C 1.454 177.818 176.300 0.107 0.000 0.984 280 D CA 0.739 54.794 54.000 0.091 0.000 0.834 280 D CB -0.044 40.810 40.800 0.089 0.000 0.955 280 D HN 0.226 nan 8.370 nan 0.000 0.465 281 L N 0.227 121.511 121.223 0.102 0.000 2.027 281 L HA -0.100 4.261 4.340 0.034 0.000 0.206 281 L C 2.489 179.397 176.870 0.065 0.000 1.074 281 L CA 0.912 55.773 54.840 0.034 0.000 0.745 281 L CB -0.836 41.145 42.059 -0.130 0.000 0.898 281 L HN -0.047 nan 8.230 nan 0.000 0.433 282 V N -0.335 119.694 119.914 0.193 0.000 2.343 282 V HA -0.291 3.849 4.120 0.034 0.000 0.247 282 V C 2.128 178.333 176.094 0.185 0.000 1.051 282 V CA 1.699 64.154 62.300 0.260 0.000 1.036 282 V CB -0.594 31.512 31.823 0.471 0.000 0.654 282 V HN 0.394 nan 8.190 nan 0.000 0.451 283 D N -1.049 119.427 120.400 0.126 0.000 2.228 283 D HA -0.156 4.505 4.640 0.034 0.000 0.203 283 D C 1.846 178.020 176.300 -0.210 0.000 0.988 283 D CA 1.308 55.299 54.000 -0.016 0.000 0.864 283 D CB -0.162 40.543 40.800 -0.158 0.000 0.928 283 D HN 0.510 nan 8.370 nan 0.000 0.469 284 H N -0.842 118.220 119.070 -0.013 0.000 2.893 284 H HA 0.154 4.730 4.556 0.034 0.000 0.270 284 H C 1.553 176.807 175.328 -0.122 0.000 1.095 284 H CA -0.069 55.925 56.048 -0.089 0.000 1.186 284 H CB 0.589 30.401 29.762 0.083 0.000 1.562 284 H HN 0.280 nan 8.280 nan 0.000 0.536 285 E N 0.571 120.755 120.200 -0.027 0.000 2.086 285 E HA -0.219 4.152 4.350 0.034 0.000 0.200 285 E C 1.061 177.522 176.600 -0.232 0.000 1.012 285 E CA 1.448 57.791 56.400 -0.095 0.000 0.812 285 E CB 0.004 29.525 29.700 -0.298 0.000 0.743 285 E HN 0.438 nan 8.360 nan 0.000 0.453 286 W N -0.560 120.633 121.300 -0.179 0.000 2.678 286 W HA -0.011 4.670 4.660 0.035 0.000 0.256 286 W C 1.546 178.040 176.519 -0.042 0.000 1.280 286 W CA 0.557 57.790 57.345 -0.187 0.000 1.345 286 W CB 0.093 29.370 29.460 -0.306 0.000 1.118 286 W HN 0.269 nan 8.180 nan 0.000 0.629 287 H N -0.639 118.569 119.070 0.229 0.000 2.543 287 H HA 0.015 4.592 4.556 0.034 0.000 0.269 287 H C 1.771 177.150 175.328 0.086 0.000 1.005 287 H CA 0.582 56.729 56.048 0.164 0.000 1.146 287 H CB 0.078 29.953 29.762 0.188 0.000 1.353 287 H HN 0.121 nan 8.280 nan 0.000 0.595 288 V N -1.893 118.098 119.914 0.128 0.000 3.578 288 V HA 0.205 4.346 4.120 0.034 0.000 0.290 288 V C 0.439 176.518 176.094 -0.025 0.000 1.376 288 V CA -0.210 62.108 62.300 0.030 0.000 1.083 288 V CB -0.337 31.468 31.823 -0.030 0.000 0.911 288 V HN 0.137 nan 8.190 nan 0.000 0.433 289 L N 2.474 123.705 121.223 0.015 0.000 2.416 289 L HA 0.294 4.655 4.340 0.034 0.000 0.272 289 L C -0.407 176.467 176.870 0.006 0.000 1.161 289 L CA -1.067 53.772 54.840 -0.002 0.000 0.845 289 L CB 1.114 43.206 42.059 0.055 0.000 1.119 289 L HN 0.147 nan 8.230 nan 0.000 0.464 290 P HA -0.051 nan 4.420 nan 0.000 0.225 290 P C -0.248 177.051 177.300 -0.003 0.000 1.156 290 P CA 0.927 64.020 63.100 -0.012 0.000 0.787 290 P CB 0.531 32.217 31.700 -0.023 0.000 0.802 291 Q N -1.262 118.538 119.800 -0.000 0.000 2.544 291 Q HA 0.336 4.697 4.340 0.034 0.000 0.291 291 Q C -0.686 175.317 176.000 0.006 0.000 1.068 291 Q CA -0.768 55.035 55.803 0.000 0.000 0.785 291 Q CB 1.375 30.108 28.738 -0.008 0.000 1.481 291 Q HN -0.080 nan 8.270 nan 0.000 0.430 292 E N 0.925 121.127 120.200 0.003 0.000 2.366 292 E HA 0.313 4.684 4.350 0.034 0.000 0.266 292 E C -1.057 175.536 176.600 -0.012 0.000 1.015 292 E CA 0.118 56.518 56.400 0.001 0.000 0.906 292 E CB 0.330 30.031 29.700 0.002 0.000 0.979 292 E HN 0.571 nan 8.360 nan 0.000 0.443 293 S N 3.607 119.294 115.700 -0.022 0.000 2.615 293 S HA 0.618 5.109 4.470 0.034 0.000 0.269 293 S C -0.554 174.006 174.600 -0.066 0.000 1.161 293 S CA -1.046 57.129 58.200 -0.042 0.000 0.817 293 S CB 0.701 63.874 63.200 -0.046 0.000 1.131 293 S HN 0.529 nan 8.310 nan 0.000 0.467 294 I N -2.793 117.726 120.570 -0.084 0.000 3.002 294 I HA 0.800 4.991 4.170 0.034 0.000 0.310 294 I C -0.235 175.765 176.117 -0.195 0.000 1.087 294 I CA -1.223 60.008 61.300 -0.115 0.000 1.017 294 I CB 1.136 39.108 38.000 -0.046 0.000 1.226 294 I HN 0.759 nan 8.210 nan 0.000 0.443 295 F N 1.666 121.275 119.950 -0.569 0.000 3.090 295 F HA -0.188 4.359 4.527 0.033 0.000 0.282 295 F C -0.243 174.972 175.800 -0.974 0.000 0.923 295 F CA 0.647 58.063 58.000 -0.974 0.000 0.977 295 F CB -0.651 37.695 39.000 -1.091 0.000 0.954 295 F HN 0.578 nan 8.300 nan 0.000 0.695 296 R N 0.211 120.236 120.500 -0.791 0.000 2.686 296 R HA 0.673 5.034 4.340 0.034 0.000 0.283 296 R C -1.039 174.829 176.300 -0.721 0.000 0.978 296 R CA -0.600 55.130 56.100 -0.616 0.000 0.897 296 R CB 1.564 31.745 30.300 -0.199 0.000 1.192 296 R HN -0.013 nan 8.270 nan 0.000 0.457 297 F N -0.777 119.310 119.950 0.228 0.000 2.565 297 F HA 0.323 4.871 4.527 0.034 0.000 0.313 297 F C 1.384 177.157 175.800 -0.046 0.000 1.091 297 F CA -0.780 57.321 58.000 0.168 0.000 0.915 297 F CB 2.019 41.207 39.000 0.313 0.000 1.208 297 F HN 0.371 nan 8.300 nan 0.000 0.453 298 S N 0.876 116.500 115.700 -0.126 0.000 2.368 298 S HA 0.010 4.500 4.470 0.034 0.000 0.224 298 S C -0.049 174.115 174.600 -0.725 0.000 1.029 298 S CA 1.120 59.043 58.200 -0.462 0.000 0.988 298 S CB -0.183 62.655 63.200 -0.604 0.000 0.838 298 S HN 0.357 nan 8.310 nan 0.000 0.462 299 F N 1.523 121.486 119.950 0.022 0.000 2.500 299 F HA 0.551 5.099 4.527 0.034 0.000 0.349 299 F C -0.101 175.722 175.800 0.038 0.000 1.127 299 F CA -1.032 57.008 58.000 0.066 0.000 0.998 299 F CB 1.446 40.507 39.000 0.101 0.000 1.237 299 F HN -0.107 nan 8.300 nan 0.000 0.439 300 V N 0.762 120.657 119.914 -0.032 0.000 3.158 300 V HA 0.778 4.918 4.120 0.034 0.000 0.311 300 V C -2.911 172.847 176.094 -0.561 0.000 1.181 300 V CA -3.350 58.622 62.300 -0.547 0.000 1.054 300 V CB 2.104 33.772 31.823 -0.259 0.000 1.085 300 V HN 0.262 nan 8.190 nan 0.000 0.446 301 P HA 0.153 nan 4.420 nan 0.000 0.265 301 P C -0.687 176.477 177.300 -0.226 0.000 1.187 301 P CA 0.468 63.304 63.100 -0.440 0.000 0.766 301 P CB 0.596 31.942 31.700 -0.590 0.000 0.820 302 V N 4.913 124.770 119.914 -0.096 0.000 2.581 302 V HA 0.232 4.372 4.120 0.034 0.000 0.303 302 V C -0.297 175.771 176.094 -0.043 0.000 1.041 302 V CA -0.875 61.391 62.300 -0.056 0.000 0.907 302 V CB 2.068 33.888 31.823 -0.006 0.000 0.994 302 V HN 0.136 nan 8.190 nan 0.000 0.442 303 V N 7.289 127.180 119.914 -0.038 0.000 2.341 303 V HA 0.161 4.301 4.120 0.034 0.000 0.248 303 V C 0.834 176.929 176.094 0.002 0.000 1.107 303 V CA 0.306 62.596 62.300 -0.016 0.000 1.069 303 V CB 0.076 31.883 31.823 -0.026 0.000 1.177 303 V HN 1.057 nan 8.190 nan 0.000 0.492 304 D N 2.722 123.136 120.400 0.024 0.000 2.354 304 D HA 0.096 4.757 4.640 0.034 0.000 0.209 304 D C 1.583 177.902 176.300 0.031 0.000 1.015 304 D CA 0.700 54.719 54.000 0.031 0.000 0.867 304 D CB 0.289 41.119 40.800 0.049 0.000 0.933 304 D HN 0.670 nan 8.370 nan 0.000 0.520 305 G N 0.789 109.608 108.800 0.032 0.000 2.155 305 G HA2 -0.337 3.643 3.960 0.034 0.000 0.257 305 G HA3 -0.337 3.643 3.960 0.034 0.000 0.257 305 G C 0.401 175.320 174.900 0.032 0.000 0.983 305 G CA 0.881 45.996 45.100 0.025 0.000 0.676 305 G HN 0.568 nan 8.290 nan 0.000 0.528 306 D N -1.729 118.706 120.400 0.058 0.000 3.054 306 D HA 0.221 4.881 4.640 0.034 0.000 0.209 306 D C 1.701 178.050 176.300 0.082 0.000 1.527 306 D CA 0.462 54.499 54.000 0.062 0.000 1.427 306 D CB -0.647 40.197 40.800 0.074 0.000 1.059 306 D HN 0.083 nan 8.370 nan 0.000 0.243 307 F N 1.255 121.203 119.950 -0.003 0.000 2.069 307 F HA 0.181 4.728 4.527 0.034 0.000 0.298 307 F C 0.579 176.367 175.800 -0.020 0.000 1.113 307 F CA 1.245 59.239 58.000 -0.010 0.000 1.214 307 F CB 0.077 39.066 39.000 -0.018 0.000 0.978 307 F HN -0.005 nan 8.300 nan 0.000 0.474 308 L N 0.985 122.379 121.223 0.284 0.000 2.283 308 L HA 0.198 4.559 4.340 0.034 0.000 0.281 308 L C 1.375 178.285 176.870 0.067 0.000 1.033 308 L CA -0.196 54.733 54.840 0.148 0.000 0.848 308 L CB 1.175 43.305 42.059 0.119 0.000 1.226 308 L HN 0.088 nan 8.230 nan 0.000 0.429 309 S N 0.098 115.818 115.700 0.032 0.000 2.474 309 S HA -0.027 4.464 4.470 0.034 0.000 0.235 309 S C 0.455 175.061 174.600 0.009 0.000 0.997 309 S CA 0.493 58.700 58.200 0.013 0.000 0.949 309 S CB 0.053 63.250 63.200 -0.005 0.000 0.766 309 S HN 0.710 nan 8.310 nan 0.000 0.517 310 D N 0.058 120.465 120.400 0.012 0.000 2.713 310 D HA 0.283 4.944 4.640 0.034 0.000 0.306 310 D C -0.846 175.455 176.300 0.001 0.000 1.299 310 D CA -0.009 53.993 54.000 0.003 0.000 0.823 310 D CB 1.341 42.141 40.800 -0.000 0.000 1.353 310 D HN 0.197 nan 8.370 nan 0.000 0.447 311 T N -0.839 113.709 114.554 -0.011 0.000 2.937 311 T HA 0.212 4.583 4.350 0.034 0.000 0.316 311 T C -1.793 172.897 174.700 -0.017 0.000 1.079 311 T CA -0.629 61.456 62.100 -0.024 0.000 1.131 311 T CB 0.882 69.729 68.868 -0.034 0.000 1.000 311 T HN 0.112 nan 8.240 nan 0.000 0.549 312 P HA -0.117 nan 4.420 nan 0.000 0.216 312 P C 1.550 178.841 177.300 -0.015 0.000 1.150 312 P CA 0.902 63.988 63.100 -0.024 0.000 0.837 312 P CB 0.055 31.713 31.700 -0.070 0.000 0.786 313 E N -0.039 120.141 120.200 -0.033 0.000 2.058 313 E HA -0.230 4.141 4.350 0.034 0.000 0.194 313 E C 1.889 178.492 176.600 0.005 0.000 0.997 313 E CA 1.634 58.021 56.400 -0.022 0.000 0.801 313 E CB -0.494 29.185 29.700 -0.035 0.000 0.746 313 E HN 0.087 nan 8.360 nan 0.000 0.450 314 A N 1.009 123.830 122.820 0.002 0.000 1.972 314 A HA -0.111 4.230 4.320 0.034 0.000 0.219 314 A C 2.283 179.884 177.584 0.028 0.000 1.169 314 A CA 0.988 53.031 52.037 0.010 0.000 0.635 314 A CB -0.468 18.532 19.000 -0.000 0.000 0.810 314 A HN 0.289 nan 8.150 nan 0.000 0.446 315 L N -0.200 121.049 121.223 0.043 0.000 2.179 315 L HA -0.061 4.300 4.340 0.034 0.000 0.208 315 L C 2.543 179.512 176.870 0.164 0.000 1.096 315 L CA 1.257 56.142 54.840 0.075 0.000 0.779 315 L CB -0.558 41.550 42.059 0.082 0.000 0.922 315 L HN 0.651 nan 8.230 nan 0.000 0.443 316 I N -2.856 117.818 120.570 0.173 0.000 2.439 316 I HA -0.124 4.066 4.170 0.034 0.000 0.251 316 I C 1.993 178.248 176.117 0.230 0.000 1.139 316 I CA 1.194 62.651 61.300 0.262 0.000 1.438 316 I CB -0.421 37.635 38.000 0.094 0.000 1.085 316 I HN 0.165 nan 8.210 nan 0.000 0.427 317 N N 1.498 120.268 118.700 0.118 0.000 2.270 317 N HA -0.107 4.654 4.740 0.034 0.000 0.181 317 N C 1.807 177.357 175.510 0.066 0.000 1.016 317 N CA 2.149 55.248 53.050 0.082 0.000 0.870 317 N CB -0.314 38.199 38.487 0.044 0.000 0.979 317 N HN 0.674 nan 8.380 nan 0.000 0.431 318 T N -3.472 111.106 114.554 0.040 0.000 3.044 318 T HA 0.335 4.705 4.350 0.034 0.000 0.260 318 T C 0.853 175.496 174.700 -0.095 0.000 1.019 318 T CA -0.503 61.588 62.100 -0.016 0.000 0.921 318 T CB 0.121 68.975 68.868 -0.024 0.000 1.053 318 T HN 0.036 nan 8.240 nan 0.000 0.533 319 G N 0.795 109.506 108.800 -0.148 0.000 2.503 319 G HA2 0.428 4.408 3.960 0.034 0.000 0.257 319 G HA3 0.428 4.408 3.960 0.034 0.000 0.257 319 G C -1.118 173.353 174.900 -0.715 0.000 1.214 319 G CA -0.441 44.319 45.100 -0.566 0.000 0.839 319 G HN 0.308 nan 8.290 nan 0.000 0.559 320 D N 0.310 120.270 120.400 -0.732 0.000 2.373 320 D HA 0.377 5.037 4.640 0.034 0.000 0.227 320 D C -0.458 175.492 176.300 -0.583 0.000 1.091 320 D CA -0.659 53.056 54.000 -0.475 0.000 0.840 320 D CB 0.613 41.266 40.800 -0.245 0.000 1.060 320 D HN 0.098 nan 8.370 nan 0.000 0.502 321 F N 2.153 122.108 119.950 0.008 0.000 2.855 321 F HA 0.212 4.760 4.527 0.035 0.000 0.317 321 F C 1.992 177.799 175.800 0.012 0.000 1.169 321 F CA -0.449 57.559 58.000 0.013 0.000 1.299 321 F CB 0.355 39.372 39.000 0.027 0.000 0.962 321 F HN 0.346 nan 8.300 nan 0.000 0.506 322 Q N 0.231 120.091 119.800 0.101 0.000 2.096 322 Q HA -0.171 4.189 4.340 0.034 0.000 0.204 322 Q C 0.456 176.496 176.000 0.067 0.000 0.982 322 Q CA 1.450 57.294 55.803 0.069 0.000 0.850 322 Q CB -0.031 28.721 28.738 0.023 0.000 0.901 322 Q HN 0.352 nan 8.270 nan 0.000 0.422 323 D N 0.100 120.535 120.400 0.058 0.000 2.587 323 D HA 0.177 4.837 4.640 0.034 0.000 0.233 323 D C -0.728 175.606 176.300 0.056 0.000 1.213 323 D CA -0.014 54.011 54.000 0.042 0.000 0.827 323 D CB 0.005 40.814 40.800 0.015 0.000 1.006 323 D HN 0.004 nan 8.370 nan 0.000 0.490 324 L N 0.932 122.213 121.223 0.096 0.000 2.356 324 L HA 0.367 4.727 4.340 0.034 0.000 0.277 324 L C -0.966 175.976 176.870 0.121 0.000 0.996 324 L CA -0.495 54.412 54.840 0.112 0.000 0.822 324 L CB 1.892 44.052 42.059 0.169 0.000 1.256 324 L HN -0.249 nan 8.230 nan 0.000 0.413 325 Q N 3.397 123.279 119.800 0.136 0.000 2.293 325 Q HA 0.771 5.131 4.340 0.034 0.000 0.261 325 Q C -1.357 174.865 176.000 0.370 0.000 0.960 325 Q CA -0.428 55.506 55.803 0.219 0.000 0.882 325 Q CB 2.505 31.328 28.738 0.142 0.000 1.275 325 Q HN 0.479 nan 8.270 nan 0.000 0.445 326 V N 2.582 122.712 119.914 0.359 0.000 2.760 326 V HA 0.505 4.646 4.120 0.034 0.000 0.309 326 V C -1.399 174.702 176.094 0.012 0.000 1.077 326 V CA -0.916 61.529 62.300 0.242 0.000 0.910 326 V CB 1.985 33.853 31.823 0.075 0.000 1.008 326 V HN 0.613 nan 8.190 nan 0.000 0.424 327 L N 6.367 127.387 121.223 -0.339 0.000 2.313 327 L HA 0.914 5.275 4.340 0.034 0.000 0.283 327 L C -0.484 176.284 176.870 -0.171 0.000 1.013 327 L CA -0.140 54.390 54.840 -0.516 0.000 0.816 327 L CB 1.679 42.951 42.059 -1.312 0.000 1.236 327 L HN 0.650 nan 8.230 nan 0.000 0.419 328 V N 2.035 121.921 119.914 -0.047 0.000 3.040 328 V HA 1.134 5.275 4.120 0.034 0.000 0.312 328 V C -0.219 175.700 176.094 -0.291 0.000 1.115 328 V CA 0.242 62.505 62.300 -0.061 0.000 0.998 328 V CB 1.212 32.960 31.823 -0.124 0.000 1.042 328 V HN 1.108 nan 8.190 nan 0.000 0.433 329 G N 0.639 109.118 108.800 -0.535 0.000 2.428 329 G HA2 0.751 4.732 3.960 0.034 0.000 0.304 329 G HA3 0.751 4.732 3.960 0.034 0.000 0.304 329 G C -1.170 173.418 174.900 -0.520 0.000 1.303 329 G CA 0.149 44.579 45.100 -1.117 0.000 0.825 329 G HN 2.109 nan 8.290 nan 0.000 0.484 330 V N -2.404 117.324 119.914 -0.310 0.000 3.159 330 V HA 0.924 5.065 4.120 0.034 0.000 0.308 330 V C 0.285 176.584 176.094 0.343 0.000 1.190 330 V CA -0.389 61.971 62.300 0.100 0.000 1.037 330 V CB 1.104 32.966 31.823 0.064 0.000 1.060 330 V HN 1.897 nan 8.190 nan 0.000 0.437 331 V N -0.635 119.507 119.914 0.381 0.000 3.109 331 V HA 0.567 4.708 4.120 0.034 0.000 0.317 331 V C 1.363 177.660 176.094 0.339 0.000 1.074 331 V CA -0.092 62.478 62.300 0.450 0.000 1.033 331 V CB 1.294 33.384 31.823 0.445 0.000 1.111 331 V HN 1.077 nan 8.190 nan 0.000 0.458 332 K N -0.282 120.313 120.400 0.324 0.000 2.209 332 K HA -0.054 4.287 4.320 0.034 0.000 0.204 332 K C 0.165 176.893 176.600 0.213 0.000 1.048 332 K CA 1.684 58.113 56.287 0.237 0.000 0.940 332 K CB 0.109 32.726 32.500 0.194 0.000 0.729 332 K HN 0.901 nan 8.250 nan 0.000 0.451 333 D N 0.942 121.481 120.400 0.232 0.000 2.739 333 D HA 0.030 4.691 4.640 0.034 0.000 0.335 333 D C 0.123 176.562 176.300 0.231 0.000 1.216 333 D CA -0.101 54.023 54.000 0.207 0.000 0.808 333 D CB 1.278 42.182 40.800 0.173 0.000 1.121 333 D HN 0.093 nan 8.370 nan 0.000 0.499 334 E N 0.571 120.916 120.200 0.241 0.000 2.097 334 E HA -0.141 4.230 4.350 0.034 0.000 0.196 334 E C 1.900 178.646 176.600 0.244 0.000 1.000 334 E CA 0.961 57.525 56.400 0.273 0.000 0.804 334 E CB 0.106 29.929 29.700 0.205 0.000 0.740 334 E HN 0.425 nan 8.360 nan 0.000 0.454 335 G N 0.736 109.647 108.800 0.184 0.000 2.939 335 G HA2 -0.106 3.874 3.960 0.034 0.000 0.210 335 G HA3 -0.106 3.874 3.960 0.034 0.000 0.210 335 G C 1.631 176.626 174.900 0.159 0.000 1.160 335 G CA 0.710 45.920 45.100 0.182 0.000 0.770 335 G HN 0.333 nan 8.290 nan 0.000 0.543 336 S N 1.063 116.847 115.700 0.141 0.000 2.359 336 S HA -0.273 4.218 4.470 0.034 0.000 0.224 336 S C 2.260 176.879 174.600 0.032 0.000 1.035 336 S CA 1.762 60.045 58.200 0.137 0.000 1.018 336 S CB -0.773 62.460 63.200 0.055 0.000 0.876 336 S HN 0.701 nan 8.310 nan 0.000 0.448 337 Y N 0.937 121.128 120.300 -0.182 0.000 2.314 337 Y HA 0.269 4.839 4.550 0.034 0.000 0.293 337 Y C 1.766 177.563 175.900 -0.170 0.000 1.129 337 Y CA 0.007 57.883 58.100 -0.373 0.000 1.201 337 Y CB -1.143 36.898 38.460 -0.698 0.000 0.999 337 Y HN 0.198 nan 8.280 nan 0.000 0.541 338 F N 0.958 120.549 119.950 -0.598 0.000 2.250 338 F HA -0.188 4.359 4.527 0.033 0.000 0.301 338 F C 2.121 177.876 175.800 -0.075 0.000 1.077 338 F CA 1.355 59.092 58.000 -0.438 0.000 1.348 338 F CB -0.459 38.204 39.000 -0.562 0.000 1.040 338 F HN 0.114 nan 8.300 nan 0.000 0.509 339 L N -0.154 121.110 121.223 0.068 0.000 2.131 339 L HA -0.166 4.194 4.340 0.034 0.000 0.210 339 L C 2.433 179.366 176.870 0.105 0.000 1.092 339 L CA 1.174 55.961 54.840 -0.090 0.000 0.759 339 L CB -0.952 40.825 42.059 -0.470 0.000 0.903 339 L HN 0.202 nan 8.230 nan 0.000 0.435 340 V N -4.658 115.419 119.914 0.272 0.000 3.217 340 V HA -0.157 3.984 4.120 0.034 0.000 0.264 340 V C 1.414 177.542 176.094 0.057 0.000 1.135 340 V CA 0.735 63.198 62.300 0.271 0.000 1.142 340 V CB -1.039 31.012 31.823 0.380 0.000 0.754 340 V HN 0.297 nan 8.190 nan 0.000 0.484 341 Y N 1.950 122.318 120.300 0.113 0.000 2.496 341 Y HA 0.617 5.187 4.550 0.034 0.000 0.313 341 Y C 1.713 177.608 175.900 -0.008 0.000 1.184 341 Y CA 0.444 58.568 58.100 0.040 0.000 1.275 341 Y CB 0.320 38.802 38.460 0.036 0.000 1.103 341 Y HN 0.451 nan 8.280 nan 0.000 0.513 342 G N -1.402 107.464 108.800 0.110 0.000 3.732 342 G HA2 -0.086 3.894 3.960 0.034 0.000 0.220 342 G HA3 -0.086 3.894 3.960 0.034 0.000 0.220 342 G C -0.778 174.160 174.900 0.063 0.000 0.903 342 G CA -0.493 44.644 45.100 0.061 0.000 0.896 342 G HN -0.025 nan 8.290 nan 0.000 0.685 343 V N 2.664 122.629 119.914 0.085 0.000 2.364 343 V HA 0.428 4.569 4.120 0.034 0.000 0.272 343 V C -1.910 174.330 176.094 0.244 0.000 1.036 343 V CA -1.756 60.612 62.300 0.113 0.000 0.880 343 V CB 1.222 33.038 31.823 -0.012 0.000 0.991 343 V HN 0.068 nan 8.190 nan 0.000 0.460 344 P HA 0.243 nan 4.420 nan 0.000 0.264 344 P C 1.013 178.434 177.300 0.202 0.000 1.183 344 P CA 1.235 64.428 63.100 0.155 0.000 0.763 344 P CB 0.641 32.397 31.700 0.093 0.000 0.807 345 G N 1.109 109.970 108.800 0.102 0.000 2.218 345 G HA2 -0.198 3.782 3.960 0.034 0.000 0.216 345 G HA3 -0.198 3.782 3.960 0.034 0.000 0.216 345 G C -0.252 174.489 174.900 -0.265 0.000 0.994 345 G CA -0.605 44.439 45.100 -0.094 0.000 0.637 345 G HN 0.396 nan 8.290 nan 0.000 0.505 346 F N 1.486 121.446 119.950 0.017 0.000 2.469 346 F HA 0.814 5.361 4.527 0.033 0.000 0.332 346 F C 0.511 176.406 175.800 0.158 0.000 1.103 346 F CA -0.250 57.780 58.000 0.050 0.000 0.979 346 F CB 2.342 41.410 39.000 0.112 0.000 1.137 346 F HN 0.164 nan 8.300 nan 0.000 0.463 347 S N 1.698 117.628 115.700 0.383 0.000 2.550 347 S HA 0.284 4.775 4.470 0.034 0.000 0.270 347 S C 0.316 175.222 174.600 0.510 0.000 1.145 347 S CA -0.827 57.611 58.200 0.395 0.000 0.852 347 S CB 1.474 64.808 63.200 0.224 0.000 1.119 347 S HN 0.784 nan 8.310 nan 0.000 0.465 348 K N 1.109 121.739 120.400 0.384 0.000 2.296 348 K HA 0.080 4.421 4.320 0.034 0.000 0.200 348 K C 0.010 176.648 176.600 0.064 0.000 1.048 348 K CA 1.286 57.703 56.287 0.217 0.000 0.966 348 K CB -0.131 32.280 32.500 -0.148 0.000 0.754 348 K HN 0.472 nan 8.250 nan 0.000 0.466 349 D N 0.940 121.351 120.400 0.018 0.000 2.339 349 D HA 0.011 4.672 4.640 0.034 0.000 0.217 349 D C -0.258 176.063 176.300 0.035 0.000 1.050 349 D CA 0.256 54.232 54.000 -0.040 0.000 0.856 349 D CB 0.092 40.842 40.800 -0.084 0.000 0.922 349 D HN 0.495 nan 8.370 nan 0.000 0.518 350 N N -1.265 117.499 118.700 0.106 0.000 3.157 350 N HA 0.120 4.880 4.740 0.034 0.000 0.291 350 N C 0.247 175.820 175.510 0.105 0.000 1.515 350 N CA -0.615 52.476 53.050 0.068 0.000 0.807 350 N CB 0.889 39.377 38.487 0.001 0.000 1.672 350 N HN -0.363 nan 8.380 nan 0.000 0.592 351 E N -0.512 119.679 120.200 -0.015 0.000 2.481 351 E HA 0.033 4.404 4.350 0.034 0.000 0.195 351 E C -0.501 175.792 176.600 -0.513 0.000 1.047 351 E CA 0.317 56.650 56.400 -0.112 0.000 0.867 351 E CB -0.274 29.389 29.700 -0.061 0.000 0.858 351 E HN 0.592 nan 8.360 nan 0.000 0.513 352 S N 0.387 115.794 115.700 -0.487 0.000 3.682 352 S HA -0.186 4.304 4.470 0.034 0.000 0.354 352 S C 0.216 174.375 174.600 -0.736 0.000 1.034 352 S CA 0.183 57.936 58.200 -0.745 0.000 1.084 352 S CB -1.811 60.694 63.200 -1.159 0.000 0.903 352 S HN 0.299 nan 8.310 nan 0.000 0.470 353 L N 1.672 122.628 121.223 -0.446 0.000 2.433 353 L HA 0.441 4.801 4.340 0.034 0.000 0.275 353 L C 0.671 177.349 176.870 -0.319 0.000 1.128 353 L CA -0.062 54.581 54.840 -0.328 0.000 0.875 353 L CB 0.086 42.023 42.059 -0.202 0.000 1.171 353 L HN 0.464 nan 8.230 nan 0.000 0.463 354 I N 0.205 120.590 120.570 -0.310 0.000 2.750 354 I HA 0.649 4.839 4.170 0.034 0.000 0.308 354 I C 0.489 176.539 176.117 -0.111 0.000 1.016 354 I CA -0.629 60.529 61.300 -0.236 0.000 1.098 354 I CB 1.988 39.819 38.000 -0.281 0.000 1.279 354 I HN 0.539 nan 8.210 nan 0.000 0.454 355 S N 3.003 118.669 115.700 -0.057 0.000 2.645 355 S HA 0.357 4.848 4.470 0.034 0.000 0.266 355 S C 1.005 175.635 174.600 0.049 0.000 1.258 355 S CA -0.381 57.812 58.200 -0.013 0.000 0.990 355 S CB 1.454 64.651 63.200 -0.003 0.000 0.967 355 S HN 0.887 nan 8.310 nan 0.000 0.556 356 R N 0.747 121.281 120.500 0.056 0.000 2.083 356 R HA -0.124 4.237 4.340 0.034 0.000 0.237 356 R C 2.430 178.822 176.300 0.153 0.000 1.137 356 R CA 1.816 57.990 56.100 0.123 0.000 0.951 356 R CB -1.207 29.141 30.300 0.081 0.000 0.851 356 R HN 0.856 nan 8.270 nan 0.000 0.434 357 A N 0.353 123.227 122.820 0.090 0.000 1.908 357 A HA -0.240 4.101 4.320 0.034 0.000 0.218 357 A C 2.061 179.693 177.584 0.081 0.000 1.181 357 A CA 1.696 53.776 52.037 0.071 0.000 0.627 357 A CB -0.526 18.500 19.000 0.045 0.000 0.818 357 A HN 0.539 nan 8.150 nan 0.000 0.445 358 Q N -1.950 117.908 119.800 0.097 0.000 2.167 358 Q HA -0.098 4.263 4.340 0.034 0.000 0.202 358 Q C 1.862 177.983 176.000 0.201 0.000 0.970 358 Q CA 1.413 57.287 55.803 0.119 0.000 0.855 358 Q CB -0.252 28.536 28.738 0.084 0.000 0.911 358 Q HN 0.824 nan 8.270 nan 0.000 0.438 359 F N 0.889 120.876 119.950 0.062 0.000 2.113 359 F HA -0.191 4.360 4.527 0.040 0.000 0.297 359 F C 1.745 177.581 175.800 0.060 0.000 1.103 359 F CA 0.873 58.917 58.000 0.074 0.000 1.248 359 F CB 0.121 39.150 39.000 0.048 0.000 0.999 359 F HN -0.028 nan 8.300 nan 0.000 0.475 360 L N 0.247 121.398 121.223 -0.120 0.000 2.083 360 L HA -0.219 4.142 4.340 0.034 0.000 0.209 360 L C 2.812 179.601 176.870 -0.136 0.000 1.083 360 L CA 1.342 56.060 54.840 -0.204 0.000 0.752 360 L CB -1.521 40.503 42.059 -0.059 0.000 0.899 360 L HN 0.294 nan 8.230 nan 0.000 0.433 361 A N 0.369 123.163 122.820 -0.044 0.000 1.929 361 A HA -0.036 4.304 4.320 0.034 0.000 0.216 361 A C 2.409 179.982 177.584 -0.018 0.000 1.176 361 A CA 1.407 53.434 52.037 -0.016 0.000 0.628 361 A CB -0.979 18.035 19.000 0.024 0.000 0.816 361 A HN 0.423 nan 8.150 nan 0.000 0.444 362 G N -0.551 108.251 108.800 0.003 0.000 2.432 362 G HA2 -0.092 3.888 3.960 0.034 0.000 0.219 362 G HA3 -0.092 3.888 3.960 0.034 0.000 0.219 362 G C 1.452 176.307 174.900 -0.075 0.000 1.135 362 G CA 1.213 46.319 45.100 0.009 0.000 0.767 362 G HN 0.302 nan 8.290 nan 0.000 0.550 363 V N 0.925 120.733 119.914 -0.177 0.000 2.427 363 V HA -0.099 4.041 4.120 0.034 0.000 0.248 363 V C 2.940 178.969 176.094 -0.109 0.000 1.051 363 V CA 1.442 63.628 62.300 -0.191 0.000 1.048 363 V CB -0.337 31.282 31.823 -0.339 0.000 0.666 363 V HN 0.213 nan 8.190 nan 0.000 0.456 364 R N 0.008 120.455 120.500 -0.089 0.000 2.120 364 R HA 0.002 4.362 4.340 0.034 0.000 0.234 364 R C 2.026 178.299 176.300 -0.045 0.000 1.123 364 R CA 1.392 57.458 56.100 -0.056 0.000 0.975 364 R CB -0.825 29.451 30.300 -0.040 0.000 0.866 364 R HN 0.465 nan 8.270 nan 0.000 0.446 365 I N -0.515 120.029 120.570 -0.043 0.000 2.333 365 I HA -0.058 4.132 4.170 0.034 0.000 0.246 365 I C 2.173 178.262 176.117 -0.047 0.000 1.106 365 I CA 1.335 62.614 61.300 -0.035 0.000 1.411 365 I CB -0.447 37.540 38.000 -0.022 0.000 1.082 365 I HN 0.191 nan 8.210 nan 0.000 0.420 366 G N 0.307 109.072 108.800 -0.059 0.000 2.572 366 G HA2 0.024 4.005 3.960 0.034 0.000 0.216 366 G HA3 0.024 4.005 3.960 0.034 0.000 0.216 366 G C 0.763 175.620 174.900 -0.073 0.000 1.133 366 G CA 0.321 45.381 45.100 -0.066 0.000 0.791 366 G HN 0.238 nan 8.290 nan 0.000 0.538 367 V N 1.735 121.595 119.914 -0.090 0.000 2.405 367 V HA 0.216 4.356 4.120 0.034 0.000 0.253 367 V C -1.506 174.548 176.094 -0.066 0.000 0.963 367 V CA -1.056 61.156 62.300 -0.147 0.000 1.003 367 V CB 1.549 33.276 31.823 -0.159 0.000 1.251 367 V HN 0.044 nan 8.190 nan 0.000 0.520 368 P HA -0.173 nan 4.420 nan 0.000 0.223 368 P C 1.320 178.612 177.300 -0.014 0.000 1.151 368 P CA 1.096 64.183 63.100 -0.021 0.000 0.787 368 P CB 0.423 32.112 31.700 -0.017 0.000 0.788 369 Q N 0.200 119.999 119.800 -0.002 0.000 2.403 369 Q HA 0.119 4.480 4.340 0.034 0.000 0.203 369 Q C 0.473 176.467 176.000 -0.011 0.000 0.932 369 Q CA 0.143 55.946 55.803 0.000 0.000 0.945 369 Q CB -0.474 28.277 28.738 0.021 0.000 1.045 369 Q HN 0.041 nan 8.270 nan 0.000 0.511 370 A N 1.986 124.794 122.820 -0.020 0.000 2.363 370 A HA 0.457 4.797 4.320 0.034 0.000 0.270 370 A C 0.466 178.035 177.584 -0.025 0.000 1.121 370 A CA 0.040 52.061 52.037 -0.026 0.000 0.800 370 A CB 0.457 19.439 19.000 -0.030 0.000 1.052 370 A HN 0.524 nan 8.150 nan 0.000 0.493 371 S N 1.832 117.514 115.700 -0.029 0.000 2.617 371 S HA 0.080 4.571 4.470 0.034 0.000 0.255 371 S C 0.448 175.039 174.600 -0.015 0.000 1.318 371 S CA 0.435 58.621 58.200 -0.023 0.000 0.978 371 S CB 0.256 63.439 63.200 -0.028 0.000 0.961 371 S HN 0.621 nan 8.310 nan 0.000 0.582 372 D N 0.116 120.510 120.400 -0.009 0.000 2.097 372 D HA -0.068 4.592 4.640 0.034 0.000 0.195 372 D C 1.799 178.105 176.300 0.011 0.000 0.989 372 D CA 1.082 55.082 54.000 -0.000 0.000 0.827 372 D CB -0.563 40.239 40.800 0.003 0.000 0.966 372 D HN 0.403 nan 8.370 nan 0.000 0.456 373 L N 0.834 122.063 121.223 0.011 0.000 2.017 373 L HA -0.076 4.285 4.340 0.034 0.000 0.208 373 L C 2.054 178.950 176.870 0.043 0.000 1.073 373 L CA 1.880 56.737 54.840 0.029 0.000 0.745 373 L CB -0.915 41.156 42.059 0.020 0.000 0.894 373 L HN 0.001 nan 8.230 nan 0.000 0.432 374 A N -0.679 122.147 122.820 0.009 0.000 1.933 374 A HA -0.058 4.283 4.320 0.034 0.000 0.218 374 A C 2.400 180.006 177.584 0.037 0.000 1.175 374 A CA 1.685 53.722 52.037 0.000 0.000 0.628 374 A CB -1.055 17.908 19.000 -0.061 0.000 0.814 374 A HN 0.570 nan 8.150 nan 0.000 0.444 375 A N -0.673 122.160 122.820 0.020 0.000 2.014 375 A HA -0.019 4.321 4.320 0.034 0.000 0.218 375 A C 1.921 179.527 177.584 0.038 0.000 1.163 375 A CA 1.846 53.891 52.037 0.014 0.000 0.652 375 A CB -0.317 18.672 19.000 -0.018 0.000 0.808 375 A HN 0.485 nan 8.150 nan 0.000 0.449 376 E N 0.400 120.636 120.200 0.060 0.000 2.107 376 E HA -0.000 4.370 4.350 0.034 0.000 0.191 376 E C 2.007 178.693 176.600 0.142 0.000 0.982 376 E CA 1.339 57.793 56.400 0.089 0.000 0.809 376 E CB -0.417 29.330 29.700 0.079 0.000 0.756 376 E HN 0.453 nan 8.360 nan 0.000 0.459 377 A N -0.049 122.878 122.820 0.179 0.000 1.933 377 A HA -0.129 4.211 4.320 0.034 0.000 0.218 377 A C 2.446 180.184 177.584 0.258 0.000 1.175 377 A CA 1.564 53.763 52.037 0.270 0.000 0.628 377 A CB -0.672 18.598 19.000 0.451 0.000 0.814 377 A HN 0.193 nan 8.150 nan 0.000 0.444 378 V N -0.499 119.574 119.914 0.265 0.000 2.307 378 V HA -0.217 3.924 4.120 0.034 0.000 0.245 378 V C 2.577 178.837 176.094 0.277 0.000 1.045 378 V CA 1.945 64.395 62.300 0.251 0.000 1.024 378 V CB -0.748 31.184 31.823 0.181 0.000 0.651 378 V HN 0.368 nan 8.190 nan 0.000 0.449 379 V N -0.079 119.935 119.914 0.166 0.000 2.287 379 V HA -0.261 3.879 4.120 0.034 0.000 0.248 379 V C 2.309 178.608 176.094 0.341 0.000 1.053 379 V CA 1.987 64.408 62.300 0.200 0.000 1.027 379 V CB -0.541 31.322 31.823 0.067 0.000 0.646 379 V HN 0.446 nan 8.190 nan 0.000 0.447 380 L N -0.629 120.782 121.223 0.313 0.000 2.141 380 L HA -0.195 4.166 4.340 0.034 0.000 0.209 380 L C 2.532 179.608 176.870 0.344 0.000 1.094 380 L CA 1.973 57.072 54.840 0.431 0.000 0.763 380 L CB -0.795 41.437 42.059 0.289 0.000 0.908 380 L HN 0.475 nan 8.230 nan 0.000 0.437 381 H N -0.908 118.167 119.070 0.008 0.000 2.395 381 H HA -0.156 4.423 4.556 0.037 0.000 0.299 381 H C 1.688 176.903 175.328 -0.189 0.000 1.070 381 H CA 1.732 57.619 56.048 -0.269 0.000 1.356 381 H CB 0.119 29.332 29.762 -0.916 0.000 1.401 381 H HN 0.242 nan 8.280 nan 0.000 0.524 382 Y N -0.381 119.948 120.300 0.048 0.000 2.458 382 Y HA 0.174 4.744 4.550 0.033 0.000 0.254 382 Y C 0.743 176.611 175.900 -0.053 0.000 1.120 382 Y CA 0.134 58.271 58.100 0.061 0.000 1.282 382 Y CB 0.473 39.116 38.460 0.304 0.000 1.109 382 Y HN 0.015 nan 8.280 nan 0.000 0.526 383 T N 1.552 116.112 114.554 0.010 0.000 2.916 383 T HA -0.065 4.306 4.350 0.034 0.000 0.303 383 T C -0.272 174.100 174.700 -0.547 0.000 1.025 383 T CA -0.047 61.800 62.100 -0.423 0.000 1.142 383 T CB 0.259 68.600 68.868 -0.879 0.000 0.947 383 T HN 0.053 nan 8.240 nan 0.000 0.544 384 D N 1.809 121.943 120.400 -0.444 0.000 2.380 384 D HA 0.124 4.784 4.640 0.034 0.000 0.230 384 D C 0.001 176.061 176.300 -0.399 0.000 1.154 384 D CA -0.582 53.258 54.000 -0.267 0.000 0.859 384 D CB 0.514 41.322 40.800 0.014 0.000 1.045 384 D HN 0.623 nan 8.370 nan 0.000 0.495 385 W N 3.066 124.325 121.300 -0.069 0.000 2.800 385 W HA 0.069 4.748 4.660 0.031 0.000 0.249 385 W C 2.000 178.434 176.519 -0.142 0.000 1.294 385 W CA -0.249 57.047 57.345 -0.083 0.000 1.402 385 W CB 0.125 29.544 29.460 -0.069 0.000 1.126 385 W HN 0.427 nan 8.180 nan 0.000 0.652 386 L N -1.189 119.974 121.223 -0.099 0.000 2.179 386 L HA -0.093 4.268 4.340 0.034 0.000 0.208 386 L C 0.352 176.873 176.870 -0.580 0.000 1.096 386 L CA 1.197 55.816 54.840 -0.369 0.000 0.779 386 L CB -0.256 41.457 42.059 -0.577 0.000 0.922 386 L HN 0.031 nan 8.230 nan 0.000 0.443 387 H N -2.065 116.887 119.070 -0.197 0.000 2.535 387 H HA 0.151 4.712 4.556 0.008 0.000 0.232 387 H C -1.805 173.342 175.328 -0.302 0.000 1.405 387 H CA -1.256 54.618 56.048 -0.290 0.000 1.224 387 H CB 0.109 29.536 29.762 -0.559 0.000 1.763 387 H HN -0.017 nan 8.280 nan 0.000 0.529 388 P HA -0.162 nan 4.420 nan 0.000 0.222 388 P C 0.513 177.695 177.300 -0.197 0.000 1.147 388 P CA 1.272 64.196 63.100 -0.294 0.000 0.790 388 P CB 0.599 32.180 31.700 -0.198 0.000 0.780 389 E N -0.732 119.399 120.200 -0.114 0.000 2.583 389 E HA 0.062 4.433 4.350 0.034 0.000 0.213 389 E C -0.152 176.399 176.600 -0.080 0.000 0.989 389 E CA -0.229 56.125 56.400 -0.077 0.000 0.991 389 E CB 0.131 29.809 29.700 -0.036 0.000 1.040 389 E HN 0.208 nan 8.360 nan 0.000 0.481 390 D N 2.309 122.646 120.400 -0.106 0.000 2.401 390 D HA 0.018 4.679 4.640 0.034 0.000 0.254 390 D C -1.679 174.577 176.300 -0.073 0.000 1.192 390 D CA -1.774 52.166 54.000 -0.100 0.000 0.885 390 D CB 1.408 42.094 40.800 -0.190 0.000 1.147 390 D HN -0.180 nan 8.370 nan 0.000 0.478 391 P HA -0.073 nan 4.420 nan 0.000 0.219 391 P C 1.130 178.373 177.300 -0.095 0.000 1.150 391 P CA 0.818 63.861 63.100 -0.095 0.000 0.814 391 P CB 0.240 31.878 31.700 -0.104 0.000 0.787 392 T N -1.457 113.069 114.554 -0.047 0.000 2.746 392 T HA -0.163 4.207 4.350 0.034 0.000 0.267 392 T C 1.506 176.189 174.700 -0.028 0.000 1.039 392 T CA 1.585 63.662 62.100 -0.038 0.000 1.142 392 T CB -0.917 67.948 68.868 -0.006 0.000 0.866 392 T HN 0.230 nan 8.240 nan 0.000 0.444 393 H N 0.593 119.583 119.070 -0.134 0.000 2.389 393 H HA 0.162 4.734 4.556 0.027 0.000 0.299 393 H C 2.106 177.308 175.328 -0.210 0.000 1.081 393 H CA 0.894 56.858 56.048 -0.140 0.000 1.345 393 H CB -0.454 29.224 29.762 -0.140 0.000 1.393 393 H HN 0.224 nan 8.280 nan 0.000 0.520 394 L N -0.069 121.067 121.223 -0.146 0.000 2.093 394 L HA -0.137 4.223 4.340 0.034 0.000 0.208 394 L C 2.760 179.502 176.870 -0.213 0.000 1.085 394 L CA 1.095 55.710 54.840 -0.375 0.000 0.755 394 L CB -0.300 41.581 42.059 -0.297 0.000 0.904 394 L HN 0.210 nan 8.230 nan 0.000 0.435 395 R N 0.633 121.082 120.500 -0.086 0.000 2.070 395 R HA -0.179 4.181 4.340 0.034 0.000 0.233 395 R C 1.638 178.017 176.300 0.133 0.000 1.137 395 R CA 2.101 58.226 56.100 0.042 0.000 0.945 395 R CB -0.455 29.739 30.300 -0.176 0.000 0.845 395 R HN 0.321 nan 8.270 nan 0.000 0.430 396 D N 0.449 120.881 120.400 0.054 0.000 2.218 396 D HA -0.100 4.560 4.640 0.034 0.000 0.204 396 D C 1.644 178.000 176.300 0.093 0.000 0.976 396 D CA 1.365 55.423 54.000 0.096 0.000 0.853 396 D CB -0.098 40.716 40.800 0.023 0.000 0.939 396 D HN 0.405 nan 8.370 nan 0.000 0.481 397 A N 0.444 123.271 122.820 0.011 0.000 1.930 397 A HA -0.069 4.272 4.320 0.034 0.000 0.215 397 A C 2.098 179.748 177.584 0.110 0.000 1.176 397 A CA 0.956 53.016 52.037 0.039 0.000 0.632 397 A CB -0.337 18.555 19.000 -0.180 0.000 0.819 397 A HN 0.109 nan 8.150 nan 0.000 0.445 398 M N 0.148 119.855 119.600 0.178 0.000 2.117 398 M HA -0.097 4.404 4.480 0.034 0.000 0.262 398 M C 2.283 178.641 176.300 0.096 0.000 1.065 398 M CA 2.116 57.584 55.300 0.281 0.000 1.114 398 M CB -0.580 32.232 32.600 0.352 0.000 1.361 398 M HN 0.409 nan 8.290 nan 0.000 0.408 399 S N -0.311 115.463 115.700 0.123 0.000 2.356 399 S HA -0.086 4.404 4.470 0.034 0.000 0.223 399 S C 2.067 176.731 174.600 0.106 0.000 1.032 399 S CA 1.535 59.814 58.200 0.131 0.000 1.005 399 S CB -0.610 62.736 63.200 0.243 0.000 0.867 399 S HN 0.617 nan 8.310 nan 0.000 0.449 400 A N 0.882 123.777 122.820 0.125 0.000 1.902 400 A HA 0.012 4.353 4.320 0.034 0.000 0.217 400 A C 2.371 179.986 177.584 0.051 0.000 1.181 400 A CA 1.736 53.870 52.037 0.162 0.000 0.623 400 A CB -1.123 18.063 19.000 0.310 0.000 0.818 400 A HN 0.464 nan 8.150 nan 0.000 0.443 401 V N -0.476 119.324 119.914 -0.189 0.000 2.287 401 V HA -0.256 3.885 4.120 0.034 0.000 0.248 401 V C 2.573 178.615 176.094 -0.087 0.000 1.053 401 V CA 2.196 64.341 62.300 -0.258 0.000 1.027 401 V CB -0.700 30.986 31.823 -0.229 0.000 0.646 401 V HN 0.386 nan 8.190 nan 0.000 0.447 402 V N 0.463 120.331 119.914 -0.076 0.000 2.379 402 V HA -0.102 4.038 4.120 0.034 0.000 0.245 402 V C 2.584 178.576 176.094 -0.169 0.000 1.044 402 V CA 2.016 64.248 62.300 -0.113 0.000 1.036 402 V CB -1.173 30.607 31.823 -0.073 0.000 0.664 402 V HN 0.612 nan 8.190 nan 0.000 0.453 403 G N -0.382 108.380 108.800 -0.063 0.000 2.418 403 G HA2 -0.224 3.756 3.960 0.034 0.000 0.217 403 G HA3 -0.224 3.756 3.960 0.034 0.000 0.217 403 G C 1.233 176.067 174.900 -0.111 0.000 1.158 403 G CA 1.000 46.074 45.100 -0.044 0.000 0.771 403 G HN 0.496 nan 8.290 nan 0.000 0.545 404 D N -0.343 120.009 120.400 -0.079 0.000 2.103 404 D HA -0.055 4.606 4.640 0.034 0.000 0.199 404 D C 2.094 178.082 176.300 -0.519 0.000 0.978 404 D CA 1.108 55.034 54.000 -0.123 0.000 0.829 404 D CB -0.456 40.469 40.800 0.209 0.000 0.981 404 D HN 0.386 nan 8.370 nan 0.000 0.464 405 H N 0.992 119.488 119.070 -0.957 0.000 2.353 405 H HA 0.003 4.580 4.556 0.034 0.000 0.300 405 H C 1.467 176.376 175.328 -0.698 0.000 1.090 405 H CA 1.697 56.965 56.048 -1.301 0.000 1.327 405 H CB 0.101 29.087 29.762 -1.294 0.000 1.383 405 H HN -0.010 nan 8.280 nan 0.000 0.508 406 N N -0.938 117.311 118.700 -0.752 0.000 2.402 406 N HA 0.011 4.772 4.740 0.034 0.000 0.174 406 N C 1.280 176.529 175.510 -0.436 0.000 1.027 406 N CA 1.085 53.644 53.050 -0.817 0.000 0.891 406 N CB 1.005 38.509 38.487 -1.638 0.000 1.016 406 N HN 0.275 nan 8.380 nan 0.000 0.439 407 V N -0.395 119.325 119.914 -0.322 0.000 3.278 407 V HA 0.069 4.210 4.120 0.034 0.000 0.215 407 V C 2.163 178.211 176.094 -0.077 0.000 1.287 407 V CA 0.200 62.443 62.300 -0.096 0.000 1.302 407 V CB -0.154 31.674 31.823 0.008 0.000 1.228 407 V HN -0.176 nan 8.190 nan 0.000 0.523 408 V N -0.020 119.852 119.914 -0.069 0.000 2.343 408 V HA -0.284 3.857 4.120 0.034 0.000 0.247 408 V C 2.480 178.538 176.094 -0.060 0.000 1.051 408 V CA 2.529 64.805 62.300 -0.039 0.000 1.036 408 V CB -0.762 31.070 31.823 0.014 0.000 0.654 408 V HN 0.661 nan 8.190 nan 0.000 0.451 409 c N -0.475 118.073 118.600 -0.086 0.000 2.486 409 c HA 0.027 4.618 4.570 0.034 0.000 0.279 409 c C 0.601 174.648 174.090 -0.073 0.000 1.302 409 c CA 0.865 57.168 56.329 -0.045 0.000 1.720 409 c CB -1.747 40.760 42.510 -0.005 0.000 2.030 409 c HN 0.449 nan 8.230 nan 0.000 0.490 410 P HA -0.093 nan 4.420 nan 0.000 0.216 410 P C 1.720 178.956 177.300 -0.107 0.000 1.150 410 P CA 1.428 64.449 63.100 -0.132 0.000 0.843 410 P CB -0.160 31.428 31.700 -0.186 0.000 0.787 411 V N -0.042 119.813 119.914 -0.099 0.000 2.343 411 V HA -0.246 3.895 4.120 0.034 0.000 0.247 411 V C 2.432 178.435 176.094 -0.152 0.000 1.051 411 V CA 2.254 64.484 62.300 -0.116 0.000 1.036 411 V CB -1.633 30.123 31.823 -0.111 0.000 0.654 411 V HN 0.105 nan 8.190 nan 0.000 0.451 412 A N -0.528 122.217 122.820 -0.124 0.000 1.930 412 A HA -0.292 4.048 4.320 0.034 0.000 0.217 412 A C 2.194 179.744 177.584 -0.056 0.000 1.175 412 A CA 2.069 54.038 52.037 -0.113 0.000 0.627 412 A CB -0.476 18.505 19.000 -0.031 0.000 0.815 412 A HN 0.622 nan 8.150 nan 0.000 0.443 413 Q N -0.705 119.072 119.800 -0.038 0.000 2.079 413 Q HA -0.128 4.233 4.340 0.034 0.000 0.200 413 Q C 1.893 177.872 176.000 -0.036 0.000 0.974 413 Q CA 1.713 57.507 55.803 -0.014 0.000 0.840 413 Q CB -0.350 28.378 28.738 -0.018 0.000 0.898 413 Q HN 0.511 nan 8.270 nan 0.000 0.430 414 L N 0.413 121.588 121.223 -0.081 0.000 2.017 414 L HA -0.036 4.325 4.340 0.034 0.000 0.208 414 L C 2.249 179.048 176.870 -0.119 0.000 1.073 414 L CA 2.262 57.038 54.840 -0.105 0.000 0.745 414 L CB -1.027 40.957 42.059 -0.125 0.000 0.894 414 L HN 0.292 nan 8.230 nan 0.000 0.432 415 A N -0.404 122.313 122.820 -0.171 0.000 1.883 415 A HA -0.122 4.218 4.320 0.034 0.000 0.217 415 A C 2.344 179.924 177.584 -0.006 0.000 1.186 415 A CA 1.771 53.667 52.037 -0.234 0.000 0.624 415 A CB -1.704 16.896 19.000 -0.667 0.000 0.822 415 A HN 0.559 nan 8.150 nan 0.000 0.444 416 G N -0.789 108.064 108.800 0.088 0.000 2.421 416 G HA2 -0.220 3.761 3.960 0.034 0.000 0.216 416 G HA3 -0.220 3.761 3.960 0.034 0.000 0.216 416 G C 1.697 176.671 174.900 0.124 0.000 1.171 416 G CA 0.887 46.115 45.100 0.213 0.000 0.775 416 G HN 0.387 nan 8.290 nan 0.000 0.543 417 R N 0.231 120.772 120.500 0.067 0.000 2.066 417 R HA 0.137 4.497 4.340 0.034 0.000 0.232 417 R C 2.712 179.066 176.300 0.090 0.000 1.131 417 R CA 0.521 56.668 56.100 0.079 0.000 0.955 417 R CB -1.239 29.103 30.300 0.069 0.000 0.851 417 R HN 0.413 nan 8.270 nan 0.000 0.432 418 L N 0.267 121.482 121.223 -0.013 0.000 2.042 418 L HA -0.154 4.207 4.340 0.034 0.000 0.210 418 L C 2.552 179.464 176.870 0.070 0.000 1.076 418 L CA 1.547 56.345 54.840 -0.070 0.000 0.749 418 L CB -0.668 41.251 42.059 -0.234 0.000 0.893 418 L HN 0.151 nan 8.230 nan 0.000 0.432 419 A N -0.045 122.830 122.820 0.091 0.000 1.898 419 A HA -0.099 4.242 4.320 0.034 0.000 0.216 419 A C 2.516 180.158 177.584 0.096 0.000 1.181 419 A CA 1.511 53.614 52.037 0.110 0.000 0.620 419 A CB -0.679 18.427 19.000 0.176 0.000 0.819 419 A HN 0.382 nan 8.150 nan 0.000 0.442 420 A N -1.157 121.724 122.820 0.102 0.000 2.019 420 A HA -0.119 4.222 4.320 0.034 0.000 0.219 420 A C 1.778 179.418 177.584 0.094 0.000 1.164 420 A CA 1.550 53.638 52.037 0.085 0.000 0.644 420 A CB -0.285 18.764 19.000 0.083 0.000 0.805 420 A HN 0.609 nan 8.150 nan 0.000 0.449 421 Q N -1.882 118.003 119.800 0.142 0.000 2.206 421 Q HA 0.398 4.758 4.340 0.034 0.000 0.265 421 Q C 0.731 176.835 176.000 0.174 0.000 0.866 421 Q CA 0.344 56.244 55.803 0.161 0.000 1.073 421 Q CB 0.568 29.448 28.738 0.237 0.000 1.165 421 Q HN 0.763 nan 8.270 nan 0.000 0.465 422 G N -0.295 108.583 108.800 0.130 0.000 2.179 422 G HA2 -0.257 3.724 3.960 0.034 0.000 0.220 422 G HA3 -0.257 3.724 3.960 0.034 0.000 0.220 422 G C 0.262 175.231 174.900 0.116 0.000 0.990 422 G CA -0.175 44.987 45.100 0.104 0.000 0.646 422 G HN 0.523 nan 8.290 nan 0.000 0.517 423 A N 0.128 123.034 122.820 0.144 0.000 2.371 423 A HA 0.732 5.072 4.320 0.034 0.000 0.257 423 A C 0.672 178.292 177.584 0.060 0.000 1.089 423 A CA 0.423 52.527 52.037 0.111 0.000 0.794 423 A CB 0.359 19.410 19.000 0.084 0.000 1.029 423 A HN 0.827 nan 8.150 nan 0.000 0.488 424 R N 1.776 122.309 120.500 0.055 0.000 2.248 424 R HA 0.472 4.833 4.340 0.034 0.000 0.328 424 R C -1.446 174.852 176.300 -0.003 0.000 1.067 424 R CA -0.052 56.049 56.100 0.003 0.000 0.924 424 R CB 0.250 30.586 30.300 0.059 0.000 1.013 424 R HN 0.444 nan 8.270 nan 0.000 0.454 425 V N 5.901 125.743 119.914 -0.121 0.000 2.588 425 V HA 0.411 4.552 4.120 0.034 0.000 0.304 425 V C -1.187 174.776 176.094 -0.218 0.000 1.042 425 V CA -0.791 61.471 62.300 -0.063 0.000 0.877 425 V CB 1.566 33.406 31.823 0.028 0.000 0.996 425 V HN 0.662 nan 8.190 nan 0.000 0.425 426 Y N 2.120 122.388 120.300 -0.054 0.000 2.409 426 Y HA 0.819 5.389 4.550 0.034 0.000 0.343 426 Y C 0.295 176.272 175.900 0.127 0.000 0.973 426 Y CA -0.547 57.520 58.100 -0.056 0.000 1.064 426 Y CB 2.300 40.384 38.460 -0.628 0.000 1.207 426 Y HN 0.786 nan 8.280 nan 0.000 0.452 427 A N 2.878 126.071 122.820 0.620 0.000 2.413 427 A HA 0.891 5.232 4.320 0.034 0.000 0.307 427 A C -1.877 176.107 177.584 0.666 0.000 1.087 427 A CA -0.720 51.577 52.037 0.433 0.000 0.750 427 A CB 1.261 20.335 19.000 0.122 0.000 1.296 427 A HN 0.767 nan 8.150 nan 0.000 0.423 428 Y N -0.875 119.667 120.300 0.404 0.000 2.615 428 Y HA 0.805 5.375 4.550 0.034 0.000 0.341 428 Y C -1.210 174.874 175.900 0.308 0.000 1.089 428 Y CA -1.556 56.735 58.100 0.319 0.000 1.049 428 Y CB 1.362 40.014 38.460 0.320 0.000 1.296 428 Y HN 0.728 nan 8.280 nan 0.000 0.470 429 I N 2.845 123.736 120.570 0.534 0.000 2.499 429 I HA 0.465 4.655 4.170 0.034 0.000 0.288 429 I C -1.945 174.511 176.117 0.565 0.000 1.048 429 I CA -0.997 60.587 61.300 0.472 0.000 1.062 429 I CB 1.188 39.397 38.000 0.349 0.000 1.238 429 I HN 0.733 nan 8.210 nan 0.000 0.426 430 F N 7.334 127.582 119.950 0.497 0.000 2.405 430 F HA 0.410 4.958 4.527 0.035 0.000 0.355 430 F C 0.529 176.493 175.800 0.273 0.000 1.121 430 F CA 0.093 58.324 58.000 0.386 0.000 1.112 430 F CB 0.915 40.166 39.000 0.418 0.000 1.126 430 F HN 0.542 nan 8.300 nan 0.000 0.481 431 E N 3.046 123.145 120.200 -0.169 0.000 2.630 431 E HA -0.011 4.360 4.350 0.034 0.000 0.218 431 E C -0.812 175.698 176.600 -0.151 0.000 0.977 431 E CA -0.195 56.175 56.400 -0.051 0.000 1.038 431 E CB 0.292 29.980 29.700 -0.020 0.000 1.051 431 E HN 0.504 nan 8.360 nan 0.000 0.487 432 H N 1.705 120.463 119.070 -0.519 0.000 2.604 432 H HA 0.242 4.818 4.556 0.034 0.000 0.306 432 H C -0.424 174.893 175.328 -0.018 0.000 1.075 432 H CA -0.485 55.333 56.048 -0.382 0.000 1.357 432 H CB 0.543 29.890 29.762 -0.691 0.000 1.426 432 H HN -0.136 nan 8.280 nan 0.000 0.470 433 R N 4.100 124.275 120.500 -0.541 0.000 2.234 433 R HA 0.484 4.844 4.340 0.034 0.000 0.324 433 R C -0.548 175.464 176.300 -0.481 0.000 1.054 433 R CA -0.590 55.326 56.100 -0.306 0.000 0.912 433 R CB 0.349 30.559 30.300 -0.149 0.000 1.030 433 R HN 0.812 nan 8.270 nan 0.000 0.455 434 A N 3.111 125.955 122.820 0.040 0.000 2.540 434 A HA 0.010 4.351 4.320 0.034 0.000 0.239 434 A C 1.372 179.043 177.584 0.145 0.000 1.061 434 A CA 0.487 52.742 52.037 0.363 0.000 0.758 434 A CB 0.332 19.670 19.000 0.565 0.000 0.991 434 A HN 1.036 nan 8.150 nan 0.000 0.502 435 S N 1.628 117.453 115.700 0.209 0.000 2.419 435 S HA -0.186 4.305 4.470 0.034 0.000 0.235 435 S C 1.420 176.004 174.600 -0.027 0.000 1.019 435 S CA 1.807 60.056 58.200 0.083 0.000 0.982 435 S CB -0.927 62.344 63.200 0.119 0.000 0.789 435 S HN 1.269 nan 8.310 nan 0.000 0.490 436 T N -0.825 113.667 114.554 -0.103 0.000 3.129 436 T HA 0.330 4.701 4.350 0.034 0.000 0.251 436 T C 0.430 175.040 174.700 -0.150 0.000 1.117 436 T CA -0.499 61.475 62.100 -0.209 0.000 1.034 436 T CB -0.527 68.072 68.868 -0.449 0.000 0.968 436 T HN 0.230 nan 8.240 nan 0.000 0.526 437 L N 3.951 125.123 121.223 -0.086 0.000 2.525 437 L HA 0.222 4.582 4.340 0.034 0.000 0.278 437 L C 1.472 178.268 176.870 -0.123 0.000 1.218 437 L CA 0.873 55.645 54.840 -0.113 0.000 0.878 437 L CB 0.749 42.746 42.059 -0.104 0.000 1.127 437 L HN 0.440 nan 8.230 nan 0.000 0.492 438 T N -0.816 113.628 114.554 -0.184 0.000 3.001 438 T HA 0.123 4.494 4.350 0.034 0.000 0.251 438 T C 0.335 174.990 174.700 -0.074 0.000 1.040 438 T CA -0.441 61.555 62.100 -0.173 0.000 0.985 438 T CB -0.307 68.350 68.868 -0.351 0.000 1.011 438 T HN 0.396 nan 8.240 nan 0.000 0.509 439 W N 3.578 124.874 121.300 -0.008 0.000 2.150 439 W HA 0.405 5.085 4.660 0.033 0.000 0.341 439 W C -2.030 174.403 176.519 -0.143 0.000 1.276 439 W CA -2.010 55.311 57.345 -0.041 0.000 1.238 439 W CB 0.180 29.545 29.460 -0.158 0.000 1.128 439 W HN -0.026 nan 8.180 nan 0.000 0.581 440 P HA 0.044 nan 4.420 nan 0.000 0.274 440 P C 0.582 177.819 177.300 -0.105 0.000 1.246 440 P CA -0.093 62.983 63.100 -0.040 0.000 0.795 440 P CB 0.895 32.591 31.700 -0.007 0.000 1.006 441 L N 0.271 121.494 121.223 0.000 0.000 2.081 441 L HA -0.170 4.190 4.340 0.034 0.000 0.212 441 L C 2.548 179.460 176.870 0.069 0.000 1.080 441 L CA 1.678 56.537 54.840 0.033 0.000 0.754 441 L CB -0.885 41.219 42.059 0.077 0.000 0.893 441 L HN 0.619 nan 8.230 nan 0.000 0.433 442 W N -0.689 120.659 121.300 0.081 0.000 2.465 442 W HA -0.130 4.549 4.660 0.033 0.000 0.268 442 W C 1.775 178.359 176.519 0.109 0.000 1.242 442 W CA 0.476 57.872 57.345 0.085 0.000 1.248 442 W CB -0.746 28.765 29.460 0.086 0.000 1.118 442 W HN 0.176 nan 8.180 nan 0.000 0.587 443 M N 1.320 120.603 119.600 -0.529 0.000 2.562 443 M HA 0.106 4.607 4.480 0.034 0.000 0.257 443 M C 1.848 178.083 176.300 -0.108 0.000 1.099 443 M CA 1.573 56.581 55.300 -0.486 0.000 1.099 443 M CB -0.637 31.552 32.600 -0.686 0.000 1.427 443 M HN 0.216 nan 8.290 nan 0.000 0.489 444 G N 0.608 109.387 108.800 -0.035 0.000 2.565 444 G HA2 -0.291 3.689 3.960 0.034 0.000 0.295 444 G HA3 -0.291 3.689 3.960 0.034 0.000 0.295 444 G C -0.110 174.814 174.900 0.039 0.000 1.165 444 G CA -0.077 45.044 45.100 0.036 0.000 0.977 444 G HN 0.248 nan 8.290 nan 0.000 0.546 445 V N 3.519 123.499 119.914 0.111 0.000 2.277 445 V HA 0.504 4.644 4.120 0.034 0.000 0.269 445 V C -1.909 174.330 176.094 0.242 0.000 1.036 445 V CA -0.857 61.559 62.300 0.192 0.000 0.821 445 V CB 1.272 33.261 31.823 0.277 0.000 1.052 445 V HN 0.544 nan 8.190 nan 0.000 0.462 446 P HA 0.218 nan 4.420 nan 0.000 0.278 446 P C -0.314 177.256 177.300 0.450 0.000 1.258 446 P CA -0.617 62.649 63.100 0.277 0.000 0.811 446 P CB 0.397 32.155 31.700 0.096 0.000 1.063 447 H N 0.672 119.935 119.070 0.321 0.000 3.216 447 H HA 0.231 4.807 4.556 0.034 0.000 0.283 447 H C 1.523 176.929 175.328 0.130 0.000 0.921 447 H CA 2.391 58.606 56.048 0.277 0.000 1.419 447 H CB -0.897 29.065 29.762 0.335 0.000 1.460 447 H HN 0.744 nan 8.280 nan 0.000 0.553 448 G N 3.588 112.289 108.800 -0.163 0.000 2.238 448 G HA2 -0.289 3.692 3.960 0.034 0.000 0.217 448 G HA3 -0.289 3.692 3.960 0.034 0.000 0.217 448 G C 0.577 175.410 174.900 -0.111 0.000 0.996 448 G CA 0.226 45.176 45.100 -0.251 0.000 0.632 448 G HN 0.612 nan 8.290 nan 0.000 0.503 449 Y N 1.751 122.176 120.300 0.208 0.000 2.470 449 Y HA 0.253 4.824 4.550 0.035 0.000 0.284 449 Y C 2.311 178.340 175.900 0.215 0.000 1.188 449 Y CA 0.874 59.127 58.100 0.256 0.000 1.269 449 Y CB 0.453 39.089 38.460 0.292 0.000 1.094 449 Y HN 0.485 nan 8.280 nan 0.000 0.518 450 E N 0.302 120.491 120.200 -0.018 0.000 2.318 450 E HA -0.072 4.299 4.350 0.034 0.000 0.193 450 E C 1.619 178.106 176.600 -0.188 0.000 0.998 450 E CA 0.721 56.782 56.400 -0.564 0.000 0.859 450 E CB -0.337 28.669 29.700 -1.157 0.000 0.812 450 E HN 0.542 nan 8.360 nan 0.000 0.492 451 I N 2.728 123.276 120.570 -0.037 0.000 2.163 451 I HA -0.304 3.886 4.170 0.034 0.000 0.243 451 I C 2.662 178.756 176.117 -0.039 0.000 1.085 451 I CA 2.090 63.401 61.300 0.019 0.000 1.347 451 I CB -0.472 37.599 38.000 0.119 0.000 1.044 451 I HN 0.209 nan 8.210 nan 0.000 0.408 452 E N 0.923 121.040 120.200 -0.139 0.000 2.209 452 E HA -0.241 4.129 4.350 0.034 0.000 0.196 452 E C 2.010 178.331 176.600 -0.464 0.000 0.993 452 E CA 1.484 57.693 56.400 -0.318 0.000 0.819 452 E CB -0.519 28.967 29.700 -0.356 0.000 0.745 452 E HN 0.438 nan 8.360 nan 0.000 0.477 453 F N 1.284 121.106 119.950 -0.213 0.000 2.149 453 F HA -0.034 4.514 4.527 0.035 0.000 0.294 453 F C 2.343 177.906 175.800 -0.394 0.000 1.095 453 F CA 0.553 58.373 58.000 -0.300 0.000 1.276 453 F CB -0.152 38.742 39.000 -0.175 0.000 1.023 453 F HN -0.035 nan 8.300 nan 0.000 0.480 454 I N -0.766 119.637 120.570 -0.278 0.000 2.226 454 I HA -0.287 3.904 4.170 0.034 0.000 0.245 454 I C 2.139 178.021 176.117 -0.392 0.000 1.100 454 I CA 1.671 62.654 61.300 -0.529 0.000 1.374 454 I CB -1.488 36.064 38.000 -0.747 0.000 1.057 454 I HN 0.086 nan 8.210 nan 0.000 0.413 455 F N 0.987 120.750 119.950 -0.312 0.000 2.661 455 F HA 0.159 4.706 4.527 0.034 0.000 0.298 455 F C 1.913 177.565 175.800 -0.246 0.000 1.137 455 F CA 0.945 58.804 58.000 -0.235 0.000 1.454 455 F CB -0.291 38.551 39.000 -0.264 0.000 1.103 455 F HN 0.309 nan 8.300 nan 0.000 0.577 456 G N -0.182 108.450 108.800 -0.280 0.000 2.132 456 G HA2 -0.295 3.686 3.960 0.034 0.000 0.234 456 G HA3 -0.295 3.686 3.960 0.034 0.000 0.234 456 G C 0.981 175.250 174.900 -1.050 0.000 0.989 456 G CA 0.301 45.109 45.100 -0.488 0.000 0.676 456 G HN 0.288 nan 8.290 nan 0.000 0.522 457 L N 0.627 121.256 121.223 -0.991 0.000 2.043 457 L HA 0.001 4.362 4.340 0.034 0.000 0.212 457 L C 0.486 176.815 176.870 -0.901 0.000 1.075 457 L CA 2.906 57.113 54.840 -1.055 0.000 0.752 457 L CB -1.033 40.676 42.059 -0.583 0.000 0.891 457 L HN 0.223 nan 8.230 nan 0.000 0.432 458 P HA -0.162 nan 4.420 nan 0.000 0.222 458 P C 1.546 178.628 177.300 -0.365 0.000 1.142 458 P CA 0.944 63.534 63.100 -0.850 0.000 0.788 458 P CB 0.015 31.193 31.700 -0.870 0.000 0.767 459 L N -1.321 119.643 121.223 -0.432 0.000 2.376 459 L HA -0.020 4.340 4.340 0.034 0.000 0.219 459 L C 0.963 177.780 176.870 -0.087 0.000 1.133 459 L CA 1.092 55.801 54.840 -0.217 0.000 0.816 459 L CB -1.200 40.752 42.059 -0.178 0.000 0.933 459 L HN -0.045 nan 8.230 nan 0.000 0.449 460 D N 0.224 120.550 120.400 -0.124 0.000 2.336 460 D HA 0.082 4.743 4.640 0.034 0.000 0.249 460 D C -1.637 174.687 176.300 0.040 0.000 1.213 460 D CA -1.944 52.090 54.000 0.057 0.000 0.870 460 D CB 1.546 42.422 40.800 0.126 0.000 1.076 460 D HN -0.006 nan 8.370 nan 0.000 0.483 461 P HA -0.073 nan 4.420 nan 0.000 0.225 461 P C 1.232 178.548 177.300 0.027 0.000 1.156 461 P CA 0.524 63.646 63.100 0.035 0.000 0.787 461 P CB 0.084 31.800 31.700 0.026 0.000 0.802 462 S N -0.536 115.177 115.700 0.023 0.000 2.474 462 S HA -0.051 4.439 4.470 0.034 0.000 0.235 462 S C 1.647 176.240 174.600 -0.013 0.000 0.997 462 S CA 0.683 58.885 58.200 0.003 0.000 0.949 462 S CB -1.371 61.830 63.200 0.001 0.000 0.766 462 S HN 0.109 nan 8.310 nan 0.000 0.517 463 L N 0.623 121.852 121.223 0.010 0.000 2.558 463 L HA 0.227 4.587 4.340 0.034 0.000 0.225 463 L C 0.222 177.019 176.870 -0.123 0.000 1.128 463 L CA -0.070 54.751 54.840 -0.031 0.000 0.868 463 L CB -0.625 41.476 42.059 0.069 0.000 1.006 463 L HN 0.233 nan 8.230 nan 0.000 0.454 464 N N -1.283 117.390 118.700 -0.045 0.000 2.776 464 N HA -0.221 4.540 4.740 0.034 0.000 0.249 464 N C -0.508 174.941 175.510 -0.102 0.000 1.111 464 N CA 0.782 53.788 53.050 -0.073 0.000 0.711 464 N CB -1.820 36.600 38.487 -0.111 0.000 1.065 464 N HN 0.288 nan 8.380 nan 0.000 0.556 465 Y N 0.762 121.047 120.300 -0.025 0.000 2.314 465 Y HA 0.205 4.775 4.550 0.034 0.000 0.334 465 Y C 2.002 177.924 175.900 0.036 0.000 1.266 465 Y CA 0.210 58.321 58.100 0.018 0.000 1.391 465 Y CB 0.474 38.935 38.460 0.002 0.000 1.306 465 Y HN 0.103 nan 8.280 nan 0.000 0.558 466 T N -2.882 111.818 114.554 0.243 0.000 2.766 466 T HA 0.051 4.421 4.350 0.034 0.000 0.295 466 T C 1.110 175.887 174.700 0.129 0.000 1.024 466 T CA -0.288 61.901 62.100 0.148 0.000 1.018 466 T CB 0.792 69.738 68.868 0.129 0.000 1.002 466 T HN 0.708 nan 8.240 nan 0.000 0.532 467 T N 0.960 115.561 114.554 0.078 0.000 2.746 467 T HA -0.080 4.291 4.350 0.034 0.000 0.267 467 T C 1.856 176.588 174.700 0.052 0.000 1.039 467 T CA 1.790 63.923 62.100 0.054 0.000 1.142 467 T CB -0.444 68.445 68.868 0.034 0.000 0.866 467 T HN 0.758 nan 8.240 nan 0.000 0.444 468 E N 1.153 121.380 120.200 0.045 0.000 2.085 468 E HA -0.126 4.245 4.350 0.034 0.000 0.194 468 E C 2.272 178.900 176.600 0.048 0.000 0.994 468 E CA 1.119 57.529 56.400 0.015 0.000 0.801 468 E CB -0.147 29.537 29.700 -0.026 0.000 0.743 468 E HN 0.565 nan 8.360 nan 0.000 0.453 469 E N 0.138 120.408 120.200 0.117 0.000 2.110 469 E HA -0.172 4.199 4.350 0.034 0.000 0.193 469 E C 2.141 178.866 176.600 0.208 0.000 0.988 469 E CA 0.492 57.050 56.400 0.263 0.000 0.804 469 E CB -0.006 29.975 29.700 0.468 0.000 0.745 469 E HN 0.081 nan 8.360 nan 0.000 0.458 470 R N 0.623 121.179 120.500 0.094 0.000 2.081 470 R HA -0.107 4.254 4.340 0.034 0.000 0.235 470 R C 2.239 178.546 176.300 0.011 0.000 1.131 470 R CA 1.029 57.132 56.100 0.005 0.000 0.960 470 R CB -0.182 30.119 30.300 0.001 0.000 0.856 470 R HN 0.204 nan 8.270 nan 0.000 0.436 471 I N 0.045 120.641 120.570 0.044 0.000 2.353 471 I HA -0.251 3.939 4.170 0.034 0.000 0.248 471 I C 2.150 178.312 176.117 0.074 0.000 1.119 471 I CA 0.653 61.975 61.300 0.035 0.000 1.417 471 I CB -0.271 37.747 38.000 0.031 0.000 1.078 471 I HN 0.104 nan 8.210 nan 0.000 0.421 472 F N 2.024 121.931 119.950 -0.072 0.000 2.102 472 F HA -0.212 4.336 4.527 0.036 0.000 0.298 472 F C 2.437 178.216 175.800 -0.034 0.000 1.105 472 F CA 1.363 59.308 58.000 -0.092 0.000 1.239 472 F CB -0.675 38.209 39.000 -0.195 0.000 0.991 472 F HN 0.015 nan 8.300 nan 0.000 0.474 473 A N -0.032 122.723 122.820 -0.107 0.000 1.933 473 A HA -0.225 4.115 4.320 0.034 0.000 0.218 473 A C 2.168 179.626 177.584 -0.210 0.000 1.175 473 A CA 1.709 53.622 52.037 -0.207 0.000 0.628 473 A CB -0.890 18.016 19.000 -0.157 0.000 0.814 473 A HN 0.599 nan 8.150 nan 0.000 0.444 474 Q N -0.753 118.965 119.800 -0.136 0.000 2.096 474 Q HA -0.194 4.167 4.340 0.034 0.000 0.204 474 Q C 2.377 178.283 176.000 -0.157 0.000 0.982 474 Q CA 1.668 57.400 55.803 -0.118 0.000 0.850 474 Q CB -0.174 28.522 28.738 -0.070 0.000 0.901 474 Q HN 0.629 nan 8.270 nan 0.000 0.422 475 R N 0.129 120.519 120.500 -0.183 0.000 2.073 475 R HA -0.107 4.254 4.340 0.034 0.000 0.234 475 R C 2.306 178.336 176.300 -0.449 0.000 1.134 475 R CA 1.135 57.048 56.100 -0.312 0.000 0.952 475 R CB -0.254 29.925 30.300 -0.202 0.000 0.850 475 R HN 0.243 nan 8.270 nan 0.000 0.433 476 L N -0.045 120.996 121.223 -0.302 0.000 2.056 476 L HA -0.145 4.216 4.340 0.034 0.000 0.207 476 L C 2.509 179.349 176.870 -0.050 0.000 1.078 476 L CA 1.205 55.968 54.840 -0.129 0.000 0.749 476 L CB -0.307 41.528 42.059 -0.373 0.000 0.901 476 L HN 0.228 nan 8.230 nan 0.000 0.433 477 M N -0.707 118.801 119.600 -0.155 0.000 2.149 477 M HA -0.213 4.288 4.480 0.034 0.000 0.261 477 M C 2.309 178.618 176.300 0.014 0.000 1.064 477 M CA 1.612 56.856 55.300 -0.092 0.000 1.102 477 M CB -0.226 32.305 32.600 -0.116 0.000 1.369 477 M HN 0.090 nan 8.290 nan 0.000 0.408 478 K N -0.456 119.922 120.400 -0.037 0.000 2.031 478 K HA -0.123 4.217 4.320 0.034 0.000 0.205 478 K C 1.909 178.583 176.600 0.124 0.000 1.049 478 K CA 1.476 57.755 56.287 -0.013 0.000 0.939 478 K CB -0.282 32.149 32.500 -0.114 0.000 0.717 478 K HN 0.295 nan 8.250 nan 0.000 0.438 479 Y N -0.034 120.402 120.300 0.227 0.000 2.128 479 Y HA -0.240 4.331 4.550 0.034 0.000 0.284 479 Y C 2.364 178.399 175.900 0.225 0.000 1.154 479 Y CA 0.757 59.017 58.100 0.267 0.000 1.149 479 Y CB -0.828 37.937 38.460 0.509 0.000 0.976 479 Y HN 0.230 nan 8.280 nan 0.000 0.505 480 W N 0.504 121.886 121.300 0.136 0.000 2.358 480 W HA -0.208 4.472 4.660 0.033 0.000 0.303 480 W C 2.400 178.928 176.519 0.015 0.000 1.208 480 W CA 2.154 59.519 57.345 0.033 0.000 1.274 480 W CB -0.545 28.868 29.460 -0.079 0.000 1.138 480 W HN 0.224 nan 8.180 nan 0.000 0.515 481 T N -2.493 112.173 114.554 0.187 0.000 2.985 481 T HA -0.099 4.272 4.350 0.034 0.000 0.266 481 T C 1.409 176.137 174.700 0.046 0.000 1.076 481 T CA 0.911 63.051 62.100 0.067 0.000 1.135 481 T CB -0.524 68.365 68.868 0.034 0.000 0.890 481 T HN -0.068 nan 8.240 nan 0.000 0.480 482 N N 0.993 119.739 118.700 0.077 0.000 2.120 482 N HA -0.009 4.752 4.740 0.034 0.000 0.188 482 N C 1.386 176.891 175.510 -0.008 0.000 1.024 482 N CA 0.987 54.060 53.050 0.039 0.000 0.852 482 N CB -0.619 37.912 38.487 0.073 0.000 1.003 482 N HN 0.449 nan 8.380 nan 0.000 0.424 483 F N 1.791 121.648 119.950 -0.155 0.000 2.134 483 F HA -0.088 4.460 4.527 0.035 0.000 0.299 483 F C 2.188 177.900 175.800 -0.147 0.000 1.097 483 F CA 1.319 59.175 58.000 -0.240 0.000 1.264 483 F CB -0.448 38.318 39.000 -0.390 0.000 1.001 483 F HN 0.027 nan 8.300 nan 0.000 0.479 484 A N 0.344 123.066 122.820 -0.163 0.000 1.933 484 A HA -0.158 4.182 4.320 0.034 0.000 0.218 484 A C 2.386 179.857 177.584 -0.189 0.000 1.175 484 A CA 1.585 53.502 52.037 -0.199 0.000 0.628 484 A CB -0.695 18.263 19.000 -0.070 0.000 0.814 484 A HN 0.437 nan 8.150 nan 0.000 0.444 485 R N -1.167 119.255 120.500 -0.131 0.000 2.075 485 R HA -0.082 4.279 4.340 0.034 0.000 0.232 485 R C 1.962 178.184 176.300 -0.131 0.000 1.126 485 R CA 1.874 57.915 56.100 -0.098 0.000 0.963 485 R CB -0.117 30.150 30.300 -0.054 0.000 0.858 485 R HN 0.725 nan 8.270 nan 0.000 0.435 486 T N -5.897 108.553 114.554 -0.172 0.000 2.986 486 T HA 0.234 4.604 4.350 0.034 0.000 0.264 486 T C 1.107 175.689 174.700 -0.197 0.000 0.964 486 T CA 0.427 62.440 62.100 -0.146 0.000 0.895 486 T CB 1.384 70.200 68.868 -0.087 0.000 1.163 486 T HN 0.317 nan 8.240 nan 0.000 0.517 487 G N 1.242 109.805 108.800 -0.396 0.000 2.159 487 G HA2 -0.174 3.807 3.960 0.034 0.000 0.256 487 G HA3 -0.174 3.807 3.960 0.034 0.000 0.256 487 G C -0.350 174.482 174.900 -0.113 0.000 0.977 487 G CA 0.216 45.036 45.100 -0.467 0.000 0.652 487 G HN 0.783 nan 8.290 nan 0.000 0.531 488 D N -0.555 119.764 120.400 -0.136 0.000 2.686 488 D HA 0.485 5.145 4.640 0.034 0.000 0.249 488 D C -1.488 174.643 176.300 -0.281 0.000 1.260 488 D CA -1.749 52.104 54.000 -0.244 0.000 0.910 488 D CB 2.118 42.880 40.800 -0.063 0.000 1.323 488 D HN -0.003 nan 8.370 nan 0.000 0.561 489 P HA -0.009 nan 4.420 nan 0.000 0.233 489 P C -0.034 177.264 177.300 -0.003 0.000 1.167 489 P CA 0.107 63.017 63.100 -0.316 0.000 0.770 489 P CB 0.302 31.509 31.700 -0.822 0.000 0.837 490 N N 1.866 120.539 118.700 -0.046 0.000 2.497 490 N HA -0.002 4.758 4.740 0.034 0.000 0.268 490 N C 0.132 175.714 175.510 0.119 0.000 1.171 490 N CA 0.332 53.458 53.050 0.128 0.000 0.948 490 N CB 0.493 39.048 38.487 0.113 0.000 1.069 490 N HN 0.067 nan 8.380 nan 0.000 0.460 491 D N 2.912 123.407 120.400 0.159 0.000 2.412 491 D HA 0.011 4.671 4.640 0.034 0.000 0.257 491 D C -1.265 175.081 176.300 0.077 0.000 1.217 491 D CA -1.061 52.999 54.000 0.101 0.000 0.897 491 D CB 1.052 41.907 40.800 0.092 0.000 1.132 491 D HN 0.342 nan 8.370 nan 0.000 0.493 492 P HA -0.055 nan 4.420 nan 0.000 0.242 492 P C 0.959 178.284 177.300 0.041 0.000 1.197 492 P CA 0.606 63.733 63.100 0.044 0.000 0.765 492 P CB 0.270 31.988 31.700 0.030 0.000 0.936 493 R N 0.551 121.077 120.500 0.042 0.000 2.087 493 R HA 0.030 4.390 4.340 0.034 0.000 0.216 493 R C 1.024 177.349 176.300 0.042 0.000 1.114 493 R CA 0.870 56.992 56.100 0.037 0.000 1.002 493 R CB -1.794 28.524 30.300 0.030 0.000 0.903 493 R HN 0.192 nan 8.270 nan 0.000 0.445 494 D N 0.672 121.103 120.400 0.052 0.000 2.383 494 D HA 0.206 4.866 4.640 0.034 0.000 0.275 494 D C 0.886 177.224 176.300 0.062 0.000 1.344 494 D CA 0.830 54.866 54.000 0.059 0.000 0.984 494 D CB 0.531 41.376 40.800 0.076 0.000 1.104 494 D HN 0.501 nan 8.370 nan 0.000 0.524 495 S N 2.651 118.381 115.700 0.051 0.000 2.605 495 S HA 0.316 4.806 4.470 0.034 0.000 0.217 495 S C 1.059 175.689 174.600 0.050 0.000 0.958 495 S CA 0.081 58.310 58.200 0.049 0.000 0.919 495 S CB -0.231 62.993 63.200 0.039 0.000 0.780 495 S HN 0.627 nan 8.310 nan 0.000 0.507 496 K N 1.235 121.668 120.400 0.055 0.000 2.095 496 K HA 0.766 5.106 4.320 0.034 0.000 0.252 496 K C 0.900 177.541 176.600 0.069 0.000 0.977 496 K CA -0.085 56.234 56.287 0.054 0.000 0.900 496 K CB 0.223 32.752 32.500 0.049 0.000 1.060 496 K HN 0.573 nan 8.250 nan 0.000 0.449 497 S N 0.624 116.362 115.700 0.064 0.000 2.459 497 S HA 0.221 4.712 4.470 0.034 0.000 0.231 497 S C -1.812 172.842 174.600 0.090 0.000 1.353 497 S CA 0.055 58.300 58.200 0.075 0.000 0.988 497 S CB -0.578 62.657 63.200 0.058 0.000 0.860 497 S HN 0.569 nan 8.310 nan 0.000 0.494 498 P HA 0.289 nan 4.420 nan 0.000 0.276 498 P C -0.764 176.609 177.300 0.122 0.000 1.235 498 P CA -0.173 62.975 63.100 0.079 0.000 0.772 498 P CB 0.319 32.048 31.700 0.048 0.000 0.871 499 Q N 1.365 121.246 119.800 0.136 0.000 2.299 499 Q HA 0.109 4.469 4.340 0.034 0.000 0.246 499 Q C -0.413 175.742 176.000 0.258 0.000 0.935 499 Q CA -0.066 55.853 55.803 0.195 0.000 0.887 499 Q CB 0.856 29.698 28.738 0.172 0.000 1.223 499 Q HN 0.546 nan 8.270 nan 0.000 0.439 500 W N 6.125 127.474 121.300 0.081 0.000 2.546 500 W HA 0.220 4.902 4.660 0.036 0.000 0.323 500 W C -2.388 174.263 176.519 0.220 0.000 1.272 500 W CA -2.289 55.115 57.345 0.098 0.000 1.404 500 W CB 0.030 29.485 29.460 -0.008 0.000 1.411 500 W HN 0.378 nan 8.180 nan 0.000 0.480 501 P HA 0.280 nan 4.420 nan 0.000 0.281 501 P C -2.602 174.885 177.300 0.312 0.000 1.249 501 P CA -1.829 61.486 63.100 0.359 0.000 0.810 501 P CB 0.585 32.410 31.700 0.207 0.000 1.008 502 P HA 0.052 nan 4.420 nan 0.000 0.268 502 P C -0.590 176.697 177.300 -0.022 0.000 1.205 502 P CA 0.116 62.997 63.100 -0.365 0.000 0.771 502 P CB 0.044 31.503 31.700 -0.401 0.000 0.858 503 Y N 2.823 123.074 120.300 -0.081 0.000 2.442 503 Y HA 0.325 4.895 4.550 0.033 0.000 0.330 503 Y C 0.528 176.419 175.900 -0.016 0.000 1.129 503 Y CA 0.795 58.910 58.100 0.024 0.000 1.365 503 Y CB 0.356 38.853 38.460 0.061 0.000 1.233 503 Y HN 0.436 nan 8.280 nan 0.000 0.529 504 T N 0.029 114.333 114.554 -0.416 0.000 2.901 504 T HA 0.257 4.627 4.350 0.034 0.000 0.293 504 T C 0.804 175.262 174.700 -0.403 0.000 1.084 504 T CA -0.216 61.729 62.100 -0.258 0.000 1.008 504 T CB 1.277 70.059 68.868 -0.142 0.000 1.170 504 T HN 0.631 nan 8.240 nan 0.000 0.509 505 T N -0.768 113.693 114.554 -0.155 0.000 2.904 505 T HA 0.082 4.452 4.350 0.034 0.000 0.267 505 T C 2.201 176.846 174.700 -0.092 0.000 1.059 505 T CA 0.869 62.913 62.100 -0.093 0.000 1.137 505 T CB -0.776 68.097 68.868 0.008 0.000 0.879 505 T HN 0.872 nan 8.240 nan 0.000 0.467 506 A N 2.350 125.122 122.820 -0.080 0.000 1.824 506 A HA 0.380 4.720 4.320 0.034 0.000 0.215 506 A C 2.824 180.364 177.584 -0.074 0.000 1.209 506 A CA 1.865 53.869 52.037 -0.055 0.000 0.614 506 A CB -1.518 17.460 19.000 -0.037 0.000 0.852 506 A HN 0.714 nan 8.150 nan 0.000 0.447 507 A N -2.252 120.509 122.820 -0.098 0.000 1.968 507 A HA 0.063 4.403 4.320 0.034 0.000 0.217 507 A C 1.146 178.662 177.584 -0.115 0.000 1.169 507 A CA 1.285 53.273 52.037 -0.081 0.000 0.638 507 A CB -0.488 18.477 19.000 -0.059 0.000 0.812 507 A HN 0.657 nan 8.150 nan 0.000 0.446 508 Q N -0.871 118.751 119.800 -0.296 0.000 2.457 508 Q HA -0.226 4.134 4.340 0.034 0.000 0.283 508 Q C -0.683 175.296 176.000 -0.036 0.000 1.234 508 Q CA 0.702 56.242 55.803 -0.437 0.000 0.877 508 Q CB -1.747 26.926 28.738 -0.109 0.000 1.250 508 Q HN 0.859 nan 8.270 nan 0.000 0.481 509 Q N 0.317 120.110 119.800 -0.013 0.000 2.314 509 Q HA 0.439 4.800 4.340 0.034 0.000 0.258 509 Q C -0.333 175.939 176.000 0.454 0.000 0.954 509 Q CA 0.136 56.047 55.803 0.179 0.000 0.890 509 Q CB 0.514 29.309 28.738 0.096 0.000 1.210 509 Q HN 0.336 nan 8.270 nan 0.000 0.410 510 Y N -1.425 119.011 120.300 0.227 0.000 2.689 510 Y HA 0.753 5.323 4.550 0.033 0.000 0.333 510 Y C -1.164 174.758 175.900 0.038 0.000 1.190 510 Y CA -1.527 56.709 58.100 0.228 0.000 1.063 510 Y CB 0.610 39.210 38.460 0.234 0.000 1.294 510 Y HN 0.357 nan 8.280 nan 0.000 0.466 511 V N -0.633 119.226 119.914 -0.092 0.000 2.914 511 V HA 0.846 4.987 4.120 0.034 0.000 0.314 511 V C -0.458 175.546 176.094 -0.150 0.000 1.084 511 V CA -0.645 61.439 62.300 -0.360 0.000 0.963 511 V CB 1.410 32.750 31.823 -0.805 0.000 1.025 511 V HN 1.209 nan 8.190 nan 0.000 0.432 512 S N 3.599 119.208 115.700 -0.151 0.000 2.475 512 S HA 0.707 5.198 4.470 0.034 0.000 0.281 512 S C -0.454 174.111 174.600 -0.059 0.000 1.198 512 S CA -0.644 57.538 58.200 -0.030 0.000 1.063 512 S CB 0.579 63.755 63.200 -0.041 0.000 0.972 512 S HN 0.765 nan 8.310 nan 0.000 0.486 513 L N 4.375 125.612 121.223 0.024 0.000 2.264 513 L HA 0.497 4.858 4.340 0.034 0.000 0.287 513 L C -0.108 176.667 176.870 -0.159 0.000 1.039 513 L CA -0.399 54.481 54.840 0.067 0.000 0.829 513 L CB -0.108 42.101 42.059 0.251 0.000 1.211 513 L HN 0.909 nan 8.230 nan 0.000 0.427 514 N N 2.297 120.821 118.700 -0.294 0.000 3.439 514 N HA 0.334 5.095 4.740 0.034 0.000 0.313 514 N C 0.213 175.126 175.510 -0.994 0.000 1.598 514 N CA -0.948 51.666 53.050 -0.726 0.000 0.830 514 N CB 0.594 38.845 38.487 -0.394 0.000 1.849 514 N HN 0.189 nan 8.380 nan 0.000 0.598 515 L N -0.730 119.944 121.223 -0.915 0.000 2.201 515 L HA 0.069 4.430 4.340 0.034 0.000 0.212 515 L C 0.633 177.301 176.870 -0.336 0.000 1.105 515 L CA 0.947 55.367 54.840 -0.701 0.000 0.775 515 L CB -0.467 41.278 42.059 -0.523 0.000 0.913 515 L HN 0.369 nan 8.230 nan 0.000 0.440 516 K N 0.432 120.681 120.400 -0.252 0.000 2.219 516 K HA 0.224 4.564 4.320 0.034 0.000 0.258 516 K C -2.137 174.411 176.600 -0.086 0.000 1.008 516 K CA -1.889 54.318 56.287 -0.134 0.000 0.928 516 K CB -0.152 32.284 32.500 -0.107 0.000 0.983 516 K HN -0.196 nan 8.250 nan 0.000 0.484 517 P HA -0.055 nan 4.420 nan 0.000 0.268 517 P C -0.179 177.120 177.300 -0.001 0.000 1.208 517 P CA -0.012 63.093 63.100 0.008 0.000 0.777 517 P CB 0.350 32.058 31.700 0.013 0.000 0.875 518 L N 1.355 122.598 121.223 0.032 0.000 2.653 518 L HA -0.091 4.269 4.340 0.034 0.000 0.288 518 L C 1.165 177.999 176.870 -0.060 0.000 1.243 518 L CA 0.967 55.787 54.840 -0.032 0.000 0.906 518 L CB -0.265 41.778 42.059 -0.028 0.000 1.154 518 L HN 0.524 nan 8.230 nan 0.000 0.498 519 E N 3.157 123.294 120.200 -0.105 0.000 2.222 519 E HA 0.432 4.802 4.350 0.034 0.000 0.267 519 E C -1.456 175.045 176.600 -0.165 0.000 0.884 519 E CA -0.806 55.531 56.400 -0.105 0.000 0.764 519 E CB 2.096 31.742 29.700 -0.090 0.000 1.169 519 E HN 0.296 nan 8.360 nan 0.000 0.413 520 V N 4.891 124.720 119.914 -0.141 0.000 2.407 520 V HA 0.434 4.575 4.120 0.034 0.000 0.278 520 V C 0.235 176.193 176.094 -0.227 0.000 1.037 520 V CA -0.355 61.839 62.300 -0.175 0.000 0.900 520 V CB 0.992 32.769 31.823 -0.076 0.000 0.983 520 V HN 0.682 nan 8.190 nan 0.000 0.459 521 R N 3.858 124.100 120.500 -0.431 0.000 2.919 521 R HA 0.780 5.140 4.340 0.034 0.000 0.260 521 R C -0.801 175.301 176.300 -0.330 0.000 1.067 521 R CA -1.050 54.787 56.100 -0.439 0.000 1.003 521 R CB 2.306 32.207 30.300 -0.665 0.000 1.192 521 R HN 0.581 nan 8.270 nan 0.000 0.488 522 R N -0.274 120.202 120.500 -0.040 0.000 2.621 522 R HA 0.486 4.847 4.340 0.034 0.000 0.292 522 R C -0.869 175.619 176.300 0.313 0.000 0.969 522 R CA -0.525 55.662 56.100 0.144 0.000 0.887 522 R CB 2.252 32.591 30.300 0.066 0.000 1.180 522 R HN 0.885 nan 8.270 nan 0.000 0.450 523 G N 2.295 111.319 108.800 0.373 0.000 3.313 523 G HA2 -0.208 3.772 3.960 0.034 0.000 0.563 523 G HA3 -0.208 3.772 3.960 0.034 0.000 0.563 523 G C -1.053 174.021 174.900 0.290 0.000 1.037 523 G CA -0.840 44.430 45.100 0.285 0.000 0.848 523 G HN 0.398 nan 8.290 nan 0.000 0.416 524 L N 4.167 125.455 121.223 0.108 0.000 2.356 524 L HA 0.540 4.901 4.340 0.034 0.000 0.282 524 L C 1.543 178.411 176.870 -0.003 0.000 1.132 524 L CA -0.353 54.379 54.840 -0.181 0.000 0.923 524 L CB -0.290 41.596 42.059 -0.287 0.000 1.278 524 L HN 0.676 nan 8.230 nan 0.000 0.436 525 R N 3.013 123.550 120.500 0.062 0.000 3.322 525 R HA -0.277 4.084 4.340 0.034 0.000 0.253 525 R C 1.223 177.610 176.300 0.145 0.000 0.987 525 R CA 0.691 56.864 56.100 0.123 0.000 0.666 525 R CB -1.965 28.416 30.300 0.136 0.000 1.072 525 R HN 0.806 nan 8.270 nan 0.000 0.447 526 A N 0.498 123.401 122.820 0.138 0.000 1.877 526 A HA -0.216 4.125 4.320 0.034 0.000 0.216 526 A C 2.044 179.714 177.584 0.143 0.000 1.186 526 A CA 1.100 53.220 52.037 0.137 0.000 0.620 526 A CB -0.090 18.986 19.000 0.127 0.000 0.822 526 A HN 0.370 nan 8.150 nan 0.000 0.443 527 Q N -0.578 119.304 119.800 0.137 0.000 2.050 527 Q HA -0.115 4.246 4.340 0.034 0.000 0.202 527 Q C 2.221 178.334 176.000 0.189 0.000 0.980 527 Q CA 2.112 57.999 55.803 0.140 0.000 0.840 527 Q CB -1.204 27.604 28.738 0.116 0.000 0.898 527 Q HN 0.625 nan 8.270 nan 0.000 0.424 528 T N 0.254 114.945 114.554 0.227 0.000 2.867 528 T HA -0.099 4.272 4.350 0.034 0.000 0.268 528 T C 1.929 176.849 174.700 0.366 0.000 1.057 528 T CA 0.989 63.264 62.100 0.292 0.000 1.136 528 T CB -0.176 68.899 68.868 0.345 0.000 0.874 528 T HN 0.316 nan 8.240 nan 0.000 0.466 529 c N 1.391 120.181 118.600 0.317 0.000 2.468 529 c HA 0.301 4.892 4.570 0.034 0.000 0.277 529 c C 3.070 177.310 174.090 0.251 0.000 1.400 529 c CA -0.031 56.490 56.329 0.320 0.000 1.770 529 c CB -1.276 41.358 42.510 0.208 0.000 1.905 529 c HN 0.633 nan 8.230 nan 0.000 0.519 530 A N 0.217 123.157 122.820 0.200 0.000 1.933 530 A HA -0.174 4.166 4.320 0.034 0.000 0.218 530 A C 1.846 179.530 177.584 0.166 0.000 1.175 530 A CA 1.467 53.599 52.037 0.159 0.000 0.628 530 A CB -0.760 18.319 19.000 0.131 0.000 0.814 530 A HN 0.528 nan 8.150 nan 0.000 0.444 531 F N -0.713 119.225 119.950 -0.020 0.000 2.069 531 F HA -0.200 4.349 4.527 0.037 0.000 0.298 531 F C 1.965 177.719 175.800 -0.077 0.000 1.113 531 F CA 1.849 59.750 58.000 -0.165 0.000 1.214 531 F CB -0.638 37.974 39.000 -0.647 0.000 0.978 531 F HN 0.386 nan 8.300 nan 0.000 0.474 532 W N 0.335 121.589 121.300 -0.077 0.000 2.418 532 W HA -0.102 4.578 4.660 0.033 0.000 0.292 532 W C 2.144 178.599 176.519 -0.107 0.000 1.213 532 W CA 0.901 58.158 57.345 -0.147 0.000 1.283 532 W CB -0.435 29.068 29.460 0.071 0.000 1.119 532 W HN -0.033 nan 8.180 nan 0.000 0.542 533 N N -0.683 118.132 118.700 0.191 0.000 2.405 533 N HA 0.061 4.821 4.740 0.034 0.000 0.175 533 N C 1.463 177.006 175.510 0.055 0.000 1.051 533 N CA 0.800 53.916 53.050 0.111 0.000 0.899 533 N CB -0.020 38.533 38.487 0.111 0.000 1.000 533 N HN 0.221 nan 8.380 nan 0.000 0.451 534 R N -1.548 118.985 120.500 0.055 0.000 2.243 534 R HA 0.226 4.587 4.340 0.034 0.000 0.193 534 R C 1.306 177.635 176.300 0.048 0.000 0.933 534 R CA -0.060 56.072 56.100 0.053 0.000 1.105 534 R CB -0.034 30.317 30.300 0.087 0.000 1.169 534 R HN 0.025 nan 8.270 nan 0.000 0.599 535 F N 1.597 121.473 119.950 -0.124 0.000 2.123 535 F HA 0.097 4.645 4.527 0.035 0.000 0.289 535 F C 1.847 177.507 175.800 -0.233 0.000 1.099 535 F CA 1.055 58.958 58.000 -0.161 0.000 1.234 535 F CB -0.271 38.640 39.000 -0.148 0.000 1.034 535 F HN -0.160 nan 8.300 nan 0.000 0.479 536 L N 0.598 121.482 121.223 -0.564 0.000 2.042 536 L HA -0.179 4.181 4.340 0.034 0.000 0.210 536 L C -0.365 176.269 176.870 -0.392 0.000 1.076 536 L CA 1.780 56.254 54.840 -0.611 0.000 0.749 536 L CB -2.085 39.656 42.059 -0.529 0.000 0.893 536 L HN 0.144 nan 8.230 nan 0.000 0.432 537 P HA -0.222 nan 4.420 nan 0.000 0.216 537 P C 1.314 178.497 177.300 -0.195 0.000 1.157 537 P CA 1.457 64.462 63.100 -0.158 0.000 0.880 537 P CB -0.074 31.570 31.700 -0.093 0.000 0.791 538 K N -1.238 119.013 120.400 -0.248 0.000 2.360 538 K HA -0.103 4.238 4.320 0.034 0.000 0.201 538 K C 0.762 177.181 176.600 -0.300 0.000 1.046 538 K CA 0.578 56.723 56.287 -0.237 0.000 0.940 538 K CB -0.562 31.817 32.500 -0.201 0.000 0.748 538 K HN 0.108 nan 8.250 nan 0.000 0.465 539 L N 2.571 123.538 121.223 -0.426 0.000 2.873 539 L HA 0.114 4.474 4.340 0.034 0.000 0.236 539 L C -0.219 176.533 176.870 -0.197 0.000 1.375 539 L CA -0.161 54.474 54.840 -0.342 0.000 1.239 539 L CB -0.839 40.940 42.059 -0.466 0.000 1.603 539 L HN -0.048 nan 8.230 nan 0.000 0.430 540 L N 0.000 121.135 121.223 -0.147 0.000 2.949 540 L HA 0.000 4.361 4.340 0.034 0.000 0.249 540 L CA 0.000 54.783 54.840 -0.096 0.000 0.813 540 L CB 0.000 42.011 42.059 -0.079 0.000 0.961 540 L HN 0.000 nan 8.230 nan 0.000 0.502