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 1b7y_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVPFSWLKA YVPELESPEV LEERLAGLGF ETDRIERVFP IPRGVVFARV DATA SEQUENCE LEAHPIPGTR LKRLVLDAGR TVEVVSGAEN ARKGIGVALA LPGTELPGLG DATA SEQUENCE QKVGERVIQG VRSFGMALSP RELGVGEYGG GLLEFPEDAL PPGTPLSEAW DATA SEQUENCE PEEVVLDLEV TPNRPDALGL LGLARDLHAL GYALVEPEAA LKAEALPLPF DATA SEQUENCE ALKVEDPEGA PHFTLGYAFG LRVAPSPLWM QRALFAAGMR PINNVVDVTN DATA SEQUENCE YVMLERAQPM HAFDLRFVGE GIAVRRAREG ERLKTLDGVE RTLHPEDLVI DATA SEQUENCE AGWRGEESFP LGLAGVMGGA ESEVREDTEA IALEVACFDP VSIRKTARRH DATA SEQUENCE GLRTEASHRF ERGVDPLGQV PAQRRALSLL QALAGARVAE ALLEAGSPKP DATA SEQUENCE PEAIPFRPEY ANRLLGTSYP EAEQIAILKR LGCRVEGEGP TYRVTPPSHR DATA SEQUENCE LDLRLEEDLV EEVARIQGYE TIPLALPAFF PAPDNRGVEA PYRKEQRLRE DATA SEQUENCE VLSGLGFQEV YTYSFMDPED ARRFRLDPPR LLLLNPLAPE KAALRTHLFP DATA SEQUENCE GLVRVLKENL DLDRPERALL FEVGRVFRER EETHLAGLLF GEGVGLPWAK DATA SEQUENCE ERLSGYFLLK GYLEALFARL GLAFRVEAQA FPFLHPGVSG RVLVEGEEVG DATA SEQUENCE FLGALHPEIA QELELPPVHL FELRLPLPDK PLAFQDPSRH PAAFRDLAVV DATA SEQUENCE VPAPTPYGEV EALVREAAGP YLESLALFDL YQGPPLPEGH KSLAFHLRFR DATA SEQUENCE HPKRTLRDEE VEEAVSRVAE ALRAR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.266 176.300 -0.057 0.000 1.140 1 M CA 0.000 55.269 55.300 -0.053 0.000 0.988 1 M CB 0.000 32.561 32.600 -0.066 0.000 1.302 2 R N 2.809 123.282 120.500 -0.045 0.000 2.489 2 R HA 0.425 4.775 4.340 0.017 0.000 0.287 2 R C -0.811 175.447 176.300 -0.070 0.000 1.053 2 R CA -0.221 55.862 56.100 -0.028 0.000 1.036 2 R CB 0.634 30.945 30.300 0.019 0.000 0.966 2 R HN 0.454 nan 8.270 nan 0.000 0.432 3 V N 5.490 125.371 119.914 -0.054 0.000 2.340 3 V HA 0.211 4.341 4.120 0.017 0.000 0.277 3 V C -2.248 173.844 176.094 -0.002 0.000 1.017 3 V CA -2.101 60.145 62.300 -0.090 0.000 0.820 3 V CB 1.601 33.355 31.823 -0.114 0.000 1.028 3 V HN 0.612 nan 8.190 nan 0.000 0.436 4 P HA 0.154 nan 4.420 nan 0.000 0.275 4 P C 0.691 178.082 177.300 0.151 0.000 1.276 4 P CA -0.120 63.078 63.100 0.164 0.000 0.782 4 P CB 0.401 32.303 31.700 0.336 0.000 0.851 5 F N 4.361 124.330 119.950 0.031 0.000 2.032 5 F HA -0.358 4.179 4.527 0.017 0.000 0.297 5 F C 2.319 178.144 175.800 0.043 0.000 1.125 5 F CA 2.889 60.897 58.000 0.013 0.000 1.202 5 F CB -0.909 38.091 39.000 0.001 0.000 0.958 5 F HN 0.314 nan 8.300 nan 0.000 0.491 6 S N 0.034 115.764 115.700 0.050 0.000 2.400 6 S HA -0.272 4.208 4.470 0.017 0.000 0.232 6 S C 2.017 176.618 174.600 0.001 0.000 1.025 6 S CA 1.120 59.305 58.200 -0.025 0.000 0.993 6 S CB -1.505 61.761 63.200 0.110 0.000 0.808 6 S HN 0.691 nan 8.310 nan 0.000 0.478 7 W N 2.297 123.530 121.300 -0.113 0.000 2.380 7 W HA 0.051 4.721 4.660 0.017 0.000 0.317 7 W C 2.058 178.445 176.519 -0.221 0.000 1.196 7 W CA 0.878 58.156 57.345 -0.113 0.000 1.307 7 W CB -1.203 28.252 29.460 -0.009 0.000 1.157 7 W HN 0.405 nan 8.180 nan 0.000 0.483 8 L N 2.172 123.383 121.223 -0.020 0.000 2.127 8 L HA -0.173 4.177 4.340 0.017 0.000 0.211 8 L C 2.400 179.162 176.870 -0.180 0.000 1.089 8 L CA 2.387 57.173 54.840 -0.090 0.000 0.757 8 L CB -1.112 40.835 42.059 -0.187 0.000 0.899 8 L HN -0.022 nan 8.230 nan 0.000 0.434 9 K N -0.819 119.377 120.400 -0.340 0.000 2.360 9 K HA -0.119 4.211 4.320 0.017 0.000 0.201 9 K C 1.897 178.340 176.600 -0.262 0.000 1.046 9 K CA 0.895 56.955 56.287 -0.378 0.000 0.940 9 K CB -0.129 32.059 32.500 -0.520 0.000 0.748 9 K HN 0.524 nan 8.250 nan 0.000 0.465 10 A N -0.108 122.523 122.820 -0.316 0.000 2.015 10 A HA -0.118 4.211 4.320 0.017 0.000 0.219 10 A C 1.248 178.572 177.584 -0.432 0.000 1.163 10 A CA 1.028 52.816 52.037 -0.416 0.000 0.646 10 A CB -0.364 18.308 19.000 -0.547 0.000 0.806 10 A HN 0.393 nan 8.150 nan 0.000 0.448 11 Y N -1.523 118.740 120.300 -0.062 0.000 2.509 11 Y HA 0.289 4.849 4.550 0.016 0.000 0.270 11 Y C 0.414 176.262 175.900 -0.087 0.000 1.103 11 Y CA -0.057 57.996 58.100 -0.077 0.000 1.278 11 Y CB 0.439 38.837 38.460 -0.104 0.000 1.087 11 Y HN -0.006 nan 8.280 nan 0.000 0.542 12 V N 2.769 122.683 119.914 0.000 0.000 2.384 12 V HA 0.189 4.319 4.120 0.017 0.000 0.257 12 V C -1.784 174.267 176.094 -0.071 0.000 0.969 12 V CA -1.483 60.793 62.300 -0.040 0.000 0.910 12 V CB 0.968 32.695 31.823 -0.160 0.000 1.150 12 V HN -0.032 nan 8.190 nan 0.000 0.481 13 P HA -0.187 nan 4.420 nan 0.000 0.215 13 P C 0.708 178.019 177.300 0.019 0.000 1.157 13 P CA 1.342 64.424 63.100 -0.031 0.000 0.874 13 P CB 0.426 32.117 31.700 -0.015 0.000 0.790 14 E N -0.092 120.166 120.200 0.097 0.000 2.528 14 E HA 0.143 4.503 4.350 0.017 0.000 0.237 14 E C 0.136 176.888 176.600 0.253 0.000 1.408 14 E CA -0.256 56.240 56.400 0.160 0.000 1.571 14 E CB -0.865 28.940 29.700 0.174 0.000 1.395 14 E HN 0.328 nan 8.360 nan 0.000 0.438 15 L N 1.253 122.555 121.223 0.131 0.000 2.331 15 L HA 0.061 4.411 4.340 0.017 0.000 0.278 15 L C 1.254 178.280 176.870 0.259 0.000 1.106 15 L CA -0.198 54.729 54.840 0.144 0.000 0.824 15 L CB 1.044 43.059 42.059 -0.075 0.000 1.142 15 L HN 0.145 nan 8.230 nan 0.000 0.443 16 E N 1.343 121.708 120.200 0.276 0.000 2.015 16 E HA -0.076 4.284 4.350 0.017 0.000 0.191 16 E C 0.078 176.793 176.600 0.191 0.000 0.991 16 E CA 1.233 57.757 56.400 0.206 0.000 0.802 16 E CB 0.187 29.986 29.700 0.164 0.000 0.759 16 E HN 0.714 nan 8.360 nan 0.000 0.447 17 S N -2.896 112.913 115.700 0.182 0.000 2.633 17 S HA 0.202 4.681 4.470 0.017 0.000 0.271 17 S C -2.626 171.843 174.600 -0.218 0.000 1.112 17 S CA -1.183 56.951 58.200 -0.110 0.000 0.828 17 S CB 1.047 64.175 63.200 -0.120 0.000 1.086 17 S HN -0.250 nan 8.310 nan 0.000 0.461 18 P HA -0.094 nan 4.420 nan 0.000 0.216 18 P C 0.950 178.193 177.300 -0.094 0.000 1.150 18 P CA 1.652 64.537 63.100 -0.360 0.000 0.843 18 P CB -0.010 31.428 31.700 -0.437 0.000 0.787 19 E N -0.814 119.325 120.200 -0.102 0.000 2.047 19 E HA -0.099 4.261 4.350 0.017 0.000 0.191 19 E C 2.083 178.689 176.600 0.010 0.000 0.987 19 E CA 0.815 57.193 56.400 -0.037 0.000 0.799 19 E CB -1.430 28.245 29.700 -0.042 0.000 0.752 19 E HN -0.008 nan 8.360 nan 0.000 0.449 20 V N 1.019 120.952 119.914 0.031 0.000 2.407 20 V HA -0.214 3.916 4.120 0.017 0.000 0.248 20 V C 2.156 178.302 176.094 0.087 0.000 1.055 20 V CA 1.339 63.682 62.300 0.072 0.000 1.049 20 V CB -0.411 31.478 31.823 0.110 0.000 0.662 20 V HN 0.215 nan 8.190 nan 0.000 0.455 21 L N 0.529 121.810 121.223 0.097 0.000 1.994 21 L HA -0.184 4.166 4.340 0.017 0.000 0.208 21 L C 2.444 179.348 176.870 0.056 0.000 1.071 21 L CA 2.414 57.307 54.840 0.088 0.000 0.745 21 L CB -0.954 41.203 42.059 0.164 0.000 0.892 21 L HN 0.468 nan 8.230 nan 0.000 0.431 22 E N -0.705 119.523 120.200 0.047 0.000 2.097 22 E HA -0.317 4.043 4.350 0.017 0.000 0.196 22 E C 2.047 178.672 176.600 0.042 0.000 1.000 22 E CA 1.665 58.087 56.400 0.036 0.000 0.804 22 E CB -0.074 29.639 29.700 0.021 0.000 0.740 22 E HN 0.667 nan 8.360 nan 0.000 0.454 23 E N -0.218 120.008 120.200 0.043 0.000 2.012 23 E HA -0.218 4.142 4.350 0.017 0.000 0.197 23 E C 2.222 178.855 176.600 0.054 0.000 1.007 23 E CA 1.397 57.824 56.400 0.045 0.000 0.816 23 E CB 0.079 29.809 29.700 0.050 0.000 0.762 23 E HN 0.100 nan 8.360 nan 0.000 0.451 24 R N 0.305 120.847 120.500 0.071 0.000 2.119 24 R HA -0.182 4.168 4.340 0.017 0.000 0.246 24 R C 2.481 178.827 176.300 0.076 0.000 1.146 24 R CA 1.190 57.340 56.100 0.083 0.000 0.962 24 R CB -1.114 29.245 30.300 0.098 0.000 0.863 24 R HN 0.351 nan 8.270 nan 0.000 0.442 25 L N 0.093 121.363 121.223 0.077 0.000 2.056 25 L HA -0.057 4.293 4.340 0.017 0.000 0.207 25 L C 2.679 179.640 176.870 0.152 0.000 1.078 25 L CA 1.226 56.154 54.840 0.146 0.000 0.749 25 L CB -0.782 41.344 42.059 0.112 0.000 0.901 25 L HN 0.138 nan 8.230 nan 0.000 0.433 26 A N 0.732 123.597 122.820 0.075 0.000 1.908 26 A HA -0.172 4.158 4.320 0.017 0.000 0.218 26 A C 2.390 179.951 177.584 -0.040 0.000 1.181 26 A CA 1.942 53.992 52.037 0.022 0.000 0.627 26 A CB -1.276 17.733 19.000 0.015 0.000 0.818 26 A HN 0.457 nan 8.150 nan 0.000 0.445 27 G N -0.763 108.023 108.800 -0.024 0.000 2.443 27 G HA2 -0.027 3.943 3.960 0.017 0.000 0.219 27 G HA3 -0.027 3.943 3.960 0.017 0.000 0.219 27 G C 1.386 176.199 174.900 -0.145 0.000 1.131 27 G CA 0.821 45.872 45.100 -0.082 0.000 0.775 27 G HN 0.447 nan 8.290 nan 0.000 0.547 28 L N -0.086 121.104 121.223 -0.054 0.000 2.554 28 L HA 0.273 4.623 4.340 0.017 0.000 0.226 28 L C 1.813 178.490 176.870 -0.322 0.000 1.137 28 L CA 0.583 55.390 54.840 -0.055 0.000 0.863 28 L CB 0.237 42.414 42.059 0.196 0.000 0.985 28 L HN 0.368 nan 8.230 nan 0.000 0.451 29 G N -0.439 108.111 108.800 -0.417 0.000 2.151 29 G HA2 -0.215 3.755 3.960 0.017 0.000 0.156 29 G HA3 -0.215 3.755 3.960 0.017 0.000 0.156 29 G C -0.313 174.030 174.900 -0.927 0.000 1.017 29 G CA -0.752 43.946 45.100 -0.670 0.000 0.686 29 G HN 0.117 nan 8.290 nan 0.000 0.503 30 F N 0.782 120.694 119.950 -0.064 0.000 2.553 30 F HA 0.554 5.090 4.527 0.017 0.000 0.335 30 F C 0.141 175.919 175.800 -0.037 0.000 1.148 30 F CA -1.184 56.789 58.000 -0.046 0.000 0.963 30 F CB 1.893 40.864 39.000 -0.048 0.000 1.217 30 F HN 0.126 nan 8.300 nan 0.000 0.441 31 E N 1.922 122.188 120.200 0.110 0.000 2.200 31 E HA 0.311 4.671 4.350 0.017 0.000 0.283 31 E C -0.711 175.929 176.600 0.066 0.000 1.015 31 E CA -0.372 56.065 56.400 0.063 0.000 0.819 31 E CB 1.032 30.748 29.700 0.027 0.000 1.081 31 E HN 0.521 nan 8.360 nan 0.000 0.397 32 T N 5.120 119.704 114.554 0.049 0.000 2.723 32 T HA 0.064 4.424 4.350 0.017 0.000 0.297 32 T C 0.223 174.937 174.700 0.023 0.000 0.925 32 T CA -0.541 61.579 62.100 0.033 0.000 1.030 32 T CB 0.525 69.409 68.868 0.026 0.000 0.905 32 T HN 0.463 nan 8.240 nan 0.000 0.502 33 D N 2.905 123.317 120.400 0.020 0.000 2.289 33 D HA 0.050 4.700 4.640 0.017 0.000 0.207 33 D C 0.968 177.274 176.300 0.009 0.000 0.966 33 D CA 0.618 54.626 54.000 0.015 0.000 0.868 33 D CB 0.798 41.607 40.800 0.015 0.000 0.943 33 D HN 0.391 nan 8.370 nan 0.000 0.514 34 R N -0.519 119.985 120.500 0.007 0.000 2.709 34 R HA 0.478 4.828 4.340 0.017 0.000 0.270 34 R C -1.856 174.443 176.300 -0.002 0.000 1.038 34 R CA -0.534 55.567 56.100 0.002 0.000 0.872 34 R CB 1.626 31.927 30.300 0.002 0.000 1.259 34 R HN -0.164 nan 8.270 nan 0.000 0.473 35 I N 1.842 122.407 120.570 -0.008 0.000 2.619 35 I HA 0.425 4.605 4.170 0.017 0.000 0.292 35 I C -0.892 175.211 176.117 -0.023 0.000 1.100 35 I CA -0.739 60.551 61.300 -0.016 0.000 1.043 35 I CB 2.366 40.351 38.000 -0.024 0.000 1.239 35 I HN 0.556 nan 8.210 nan 0.000 0.420 36 E N 4.913 125.095 120.200 -0.031 0.000 2.356 36 E HA 0.463 4.823 4.350 0.017 0.000 0.275 36 E C -1.174 175.389 176.600 -0.062 0.000 0.904 36 E CA -1.036 55.340 56.400 -0.040 0.000 0.757 36 E CB 3.262 32.942 29.700 -0.034 0.000 1.232 36 E HN 0.390 nan 8.360 nan 0.000 0.442 37 R N 1.012 121.475 120.500 -0.060 0.000 2.459 37 R HA 0.332 4.681 4.340 0.017 0.000 0.281 37 R C 0.683 176.923 176.300 -0.101 0.000 1.050 37 R CA 0.040 56.099 56.100 -0.069 0.000 1.055 37 R CB 1.383 31.659 30.300 -0.040 0.000 1.045 37 R HN 0.488 nan 8.270 nan 0.000 0.495 38 V N -1.109 118.705 119.914 -0.167 0.000 3.161 38 V HA 0.271 4.401 4.120 0.017 0.000 0.228 38 V C 0.145 176.165 176.094 -0.123 0.000 1.415 38 V CA 0.039 62.176 62.300 -0.272 0.000 1.285 38 V CB 0.158 31.585 31.823 -0.660 0.000 1.100 38 V HN 0.361 nan 8.190 nan 0.000 0.478 39 F N 4.755 124.797 119.950 0.153 0.000 2.395 39 F HA 0.631 5.168 4.527 0.017 0.000 0.347 39 F C -2.629 173.231 175.800 0.101 0.000 1.157 39 F CA -3.616 54.487 58.000 0.172 0.000 1.272 39 F CB 0.288 39.550 39.000 0.437 0.000 1.607 39 F HN 0.139 nan 8.300 nan 0.000 0.571 40 P HA 0.315 nan 4.420 nan 0.000 0.286 40 P C -0.355 176.981 177.300 0.060 0.000 1.321 40 P CA 0.050 63.215 63.100 0.109 0.000 0.790 40 P CB 1.250 32.989 31.700 0.065 0.000 0.897 41 I N 6.581 127.182 120.570 0.053 0.000 2.411 41 I HA 0.300 4.480 4.170 0.017 0.000 0.284 41 I C -1.860 174.261 176.117 0.007 0.000 1.012 41 I CA -2.624 58.674 61.300 -0.002 0.000 1.119 41 I CB 1.959 39.938 38.000 -0.035 0.000 1.261 41 I HN 0.172 nan 8.210 nan 0.000 0.448 42 P HA 0.086 nan 4.420 nan 0.000 0.271 42 P C 0.282 177.583 177.300 0.001 0.000 1.238 42 P CA -0.305 62.793 63.100 -0.004 0.000 0.794 42 P CB 0.809 32.498 31.700 -0.018 0.000 0.959 43 R N 0.441 120.944 120.500 0.006 0.000 2.189 43 R HA 0.010 4.360 4.340 0.017 0.000 0.218 43 R C 2.364 178.667 176.300 0.005 0.000 1.074 43 R CA 1.547 57.655 56.100 0.012 0.000 0.991 43 R CB -1.467 28.841 30.300 0.014 0.000 0.883 43 R HN 0.706 nan 8.270 nan 0.000 0.457 44 G N -0.058 108.735 108.800 -0.011 0.000 2.442 44 G HA2 -0.149 3.821 3.960 0.017 0.000 0.219 44 G HA3 -0.149 3.821 3.960 0.017 0.000 0.219 44 G C 0.201 175.084 174.900 -0.028 0.000 1.141 44 G CA 0.449 45.533 45.100 -0.027 0.000 0.763 44 G HN 0.140 nan 8.290 nan 0.000 0.554 45 V N 1.360 121.260 119.914 -0.023 0.000 2.432 45 V HA 0.454 4.584 4.120 0.017 0.000 0.271 45 V C 0.375 176.481 176.094 0.020 0.000 1.046 45 V CA -0.556 61.733 62.300 -0.020 0.000 0.945 45 V CB 0.870 32.666 31.823 -0.045 0.000 0.992 45 V HN 0.298 nan 8.190 nan 0.000 0.471 46 V N 3.474 123.414 119.914 0.042 0.000 3.074 46 V HA 0.697 4.827 4.120 0.017 0.000 0.314 46 V C -0.742 175.443 176.094 0.152 0.000 1.117 46 V CA -1.073 61.286 62.300 0.098 0.000 1.014 46 V CB 2.069 33.944 31.823 0.087 0.000 1.057 46 V HN 0.573 nan 8.190 nan 0.000 0.438 47 F N 2.809 122.797 119.950 0.064 0.000 2.456 47 F HA 0.776 5.313 4.527 0.016 0.000 0.358 47 F C 0.308 176.163 175.800 0.091 0.000 1.095 47 F CA 0.492 58.553 58.000 0.101 0.000 1.216 47 F CB 0.390 39.435 39.000 0.075 0.000 1.125 47 F HN 1.060 nan 8.300 nan 0.000 0.549 48 A N 6.684 129.077 122.820 -0.712 0.000 2.498 48 A HA 0.813 5.143 4.320 0.017 0.000 0.298 48 A C -1.296 175.842 177.584 -0.743 0.000 1.075 48 A CA -1.130 50.581 52.037 -0.542 0.000 0.714 48 A CB 1.536 20.403 19.000 -0.222 0.000 1.299 48 A HN 0.868 nan 8.150 nan 0.000 0.407 49 R N 0.673 120.928 120.500 -0.408 0.000 2.480 49 R HA 0.640 4.989 4.340 0.017 0.000 0.306 49 R C -1.431 174.793 176.300 -0.126 0.000 0.958 49 R CA -0.694 55.254 56.100 -0.255 0.000 0.861 49 R CB 1.268 31.505 30.300 -0.104 0.000 1.171 49 R HN 0.283 nan 8.270 nan 0.000 0.445 50 V N 5.582 125.434 119.914 -0.103 0.000 2.425 50 V HA -0.014 4.116 4.120 0.017 0.000 0.276 50 V C 1.391 177.460 176.094 -0.042 0.000 1.017 50 V CA 0.062 62.322 62.300 -0.067 0.000 1.062 50 V CB -0.081 31.702 31.823 -0.068 0.000 0.997 50 V HN 0.794 nan 8.190 nan 0.000 0.476 51 L N 2.235 123.442 121.223 -0.028 0.000 2.202 51 L HA 0.286 4.635 4.340 0.017 0.000 0.205 51 L C 0.870 177.725 176.870 -0.025 0.000 1.083 51 L CA 0.944 55.775 54.840 -0.014 0.000 0.790 51 L CB 0.054 42.114 42.059 0.002 0.000 0.942 51 L HN 0.548 nan 8.230 nan 0.000 0.452 52 E N -0.418 119.764 120.200 -0.031 0.000 2.366 52 E HA 0.610 4.970 4.350 0.017 0.000 0.278 52 E C -1.480 175.045 176.600 -0.126 0.000 0.923 52 E CA -0.383 55.955 56.400 -0.103 0.000 0.761 52 E CB 2.511 32.198 29.700 -0.022 0.000 1.231 52 E HN -0.044 nan 8.360 nan 0.000 0.443 53 A N 2.728 125.395 122.820 -0.256 0.000 2.410 53 A HA 0.583 4.913 4.320 0.017 0.000 0.289 53 A C -1.371 176.061 177.584 -0.253 0.000 1.200 53 A CA -0.579 51.362 52.037 -0.160 0.000 0.751 53 A CB 0.058 18.995 19.000 -0.105 0.000 1.161 53 A HN 0.567 nan 8.150 nan 0.000 0.459 54 H N 2.716 121.778 119.070 -0.013 0.000 2.511 54 H HA 0.491 5.057 4.556 0.017 0.000 0.328 54 H C -2.633 172.688 175.328 -0.011 0.000 1.044 54 H CA -1.490 54.552 56.048 -0.011 0.000 1.212 54 H CB 1.431 31.187 29.762 -0.010 0.000 1.428 54 H HN 0.405 nan 8.280 nan 0.000 0.483 55 P HA 0.060 nan 4.420 nan 0.000 0.274 55 P C -0.233 177.097 177.300 0.050 0.000 1.231 55 P CA -0.378 62.751 63.100 0.048 0.000 0.790 55 P CB 1.005 32.720 31.700 0.025 0.000 0.951 56 I N 2.750 123.338 120.570 0.030 0.000 2.312 56 I HA 0.216 4.396 4.170 0.017 0.000 0.291 56 I C -2.047 174.077 176.117 0.012 0.000 1.031 56 I CA -2.745 58.566 61.300 0.019 0.000 1.293 56 I CB 0.539 38.546 38.000 0.011 0.000 1.403 56 I HN 0.135 nan 8.210 nan 0.000 0.484 57 P HA 0.016 nan 4.420 nan 0.000 0.262 57 P C 0.881 178.183 177.300 0.004 0.000 1.182 57 P CA 0.723 63.827 63.100 0.007 0.000 0.761 57 P CB 0.670 32.373 31.700 0.005 0.000 0.795 58 G N 1.634 110.436 108.800 0.003 0.000 2.159 58 G HA2 -0.194 3.776 3.960 0.017 0.000 0.256 58 G HA3 -0.194 3.776 3.960 0.017 0.000 0.256 58 G C 0.204 175.104 174.900 0.001 0.000 0.977 58 G CA 0.474 45.575 45.100 0.001 0.000 0.652 58 G HN 0.966 nan 8.290 nan 0.000 0.531 59 T N -3.775 110.780 114.554 0.002 0.000 2.865 59 T HA 0.694 5.054 4.350 0.017 0.000 0.294 59 T C 0.278 174.978 174.700 0.000 0.000 1.119 59 T CA -0.659 61.441 62.100 0.000 0.000 1.007 59 T CB 1.823 70.691 68.868 -0.000 0.000 1.225 59 T HN 0.110 nan 8.240 nan 0.000 0.515 60 R N 0.394 120.893 120.500 -0.002 0.000 2.568 60 R HA 0.412 4.762 4.340 0.017 0.000 0.288 60 R C -0.704 175.593 176.300 -0.005 0.000 1.077 60 R CA -0.244 55.854 56.100 -0.003 0.000 1.102 60 R CB -0.356 29.942 30.300 -0.005 0.000 1.278 60 R HN 0.341 nan 8.270 nan 0.000 0.560 61 L N -0.014 121.208 121.223 -0.003 0.000 2.303 61 L HA 0.503 4.853 4.340 0.017 0.000 0.266 61 L C -0.164 176.708 176.870 0.004 0.000 1.011 61 L CA -0.857 53.981 54.840 -0.003 0.000 0.818 61 L CB 1.429 43.486 42.059 -0.004 0.000 1.326 61 L HN -0.089 nan 8.230 nan 0.000 0.435 62 K N 0.800 121.202 120.400 0.004 0.000 2.385 62 K HA 0.592 4.922 4.320 0.017 0.000 0.248 62 K C -0.899 175.715 176.600 0.023 0.000 0.955 62 K CA -0.913 55.384 56.287 0.017 0.000 0.816 62 K CB 2.869 35.372 32.500 0.004 0.000 1.250 62 K HN 0.522 nan 8.250 nan 0.000 0.434 63 R N 3.187 123.718 120.500 0.052 0.000 2.255 63 R HA 0.343 4.693 4.340 0.017 0.000 0.326 63 R C -1.053 175.292 176.300 0.074 0.000 0.986 63 R CA -0.480 55.652 56.100 0.054 0.000 0.847 63 R CB 0.431 30.764 30.300 0.055 0.000 1.111 63 R HN 0.551 nan 8.270 nan 0.000 0.452 64 L N 4.752 126.000 121.223 0.042 0.000 2.295 64 L HA 0.425 4.775 4.340 0.017 0.000 0.285 64 L C -0.464 176.429 176.870 0.040 0.000 1.035 64 L CA -1.293 53.565 54.840 0.029 0.000 0.806 64 L CB 1.930 43.985 42.059 -0.007 0.000 1.214 64 L HN 0.409 nan 8.230 nan 0.000 0.426 65 V N 5.236 125.181 119.914 0.052 0.000 2.364 65 V HA 0.381 4.511 4.120 0.017 0.000 0.272 65 V C 0.198 176.298 176.094 0.010 0.000 1.036 65 V CA -0.299 62.028 62.300 0.044 0.000 0.880 65 V CB 1.222 33.093 31.823 0.079 0.000 0.991 65 V HN 0.512 nan 8.190 nan 0.000 0.460 66 L N 3.637 124.861 121.223 0.001 0.000 2.334 66 L HA 0.614 4.964 4.340 0.017 0.000 0.273 66 L C -0.323 176.537 176.870 -0.016 0.000 1.013 66 L CA -0.667 54.161 54.840 -0.021 0.000 0.816 66 L CB 1.962 44.004 42.059 -0.028 0.000 1.278 66 L HN 0.486 nan 8.230 nan 0.000 0.431 67 D N 1.662 122.044 120.400 -0.029 0.000 2.396 67 D HA 0.434 5.084 4.640 0.017 0.000 0.225 67 D C 0.163 176.454 176.300 -0.016 0.000 1.121 67 D CA -0.246 53.748 54.000 -0.011 0.000 0.853 67 D CB 1.924 42.724 40.800 0.001 0.000 1.043 67 D HN 0.603 nan 8.370 nan 0.000 0.500 68 A N 2.352 125.177 122.820 0.009 0.000 2.431 68 A HA 0.612 4.942 4.320 0.017 0.000 0.239 68 A C 1.317 178.933 177.584 0.053 0.000 1.230 68 A CA 0.652 52.705 52.037 0.027 0.000 0.928 68 A CB 0.413 19.444 19.000 0.052 0.000 1.006 68 A HN 0.773 nan 8.150 nan 0.000 0.520 69 G N 0.278 109.105 108.800 0.044 0.000 3.736 69 G HA2 -0.073 3.897 3.960 0.017 0.000 0.196 69 G HA3 -0.073 3.897 3.960 0.017 0.000 0.196 69 G C 0.305 175.221 174.900 0.026 0.000 1.811 69 G CA -0.195 44.933 45.100 0.046 0.000 1.175 69 G HN 0.786 nan 8.290 nan 0.000 0.429 70 R N 1.617 122.127 120.500 0.017 0.000 2.668 70 R HA 0.708 5.058 4.340 0.017 0.000 0.279 70 R C -0.574 175.718 176.300 -0.015 0.000 0.976 70 R CA -0.175 55.921 56.100 -0.007 0.000 0.978 70 R CB 0.654 30.939 30.300 -0.026 0.000 1.133 70 R HN 0.160 nan 8.270 nan 0.000 0.484 71 T N 0.627 115.165 114.554 -0.027 0.000 2.860 71 T HA 0.325 4.685 4.350 0.017 0.000 0.299 71 T C -0.128 174.540 174.700 -0.052 0.000 1.045 71 T CA -0.269 61.814 62.100 -0.027 0.000 1.071 71 T CB 0.827 69.680 68.868 -0.025 0.000 0.985 71 T HN 0.489 nan 8.240 nan 0.000 0.537 72 V N 0.782 120.677 119.914 -0.032 0.000 3.236 72 V HA 0.451 4.581 4.120 0.017 0.000 0.287 72 V C -1.878 174.222 176.094 0.010 0.000 1.491 72 V CA -0.777 61.499 62.300 -0.040 0.000 1.037 72 V CB 2.531 34.352 31.823 -0.003 0.000 1.160 72 V HN 0.948 nan 8.190 nan 0.000 0.453 73 E N 1.694 121.910 120.200 0.025 0.000 2.212 73 E HA 0.788 5.148 4.350 0.017 0.000 0.268 73 E C -1.251 175.396 176.600 0.078 0.000 0.902 73 E CA -0.598 55.827 56.400 0.041 0.000 0.779 73 E CB 2.392 32.104 29.700 0.020 0.000 1.172 73 E HN 0.906 nan 8.360 nan 0.000 0.409 74 V N -0.954 118.990 119.914 0.051 0.000 3.159 74 V HA 0.664 4.794 4.120 0.017 0.000 0.308 74 V C -0.989 175.116 176.094 0.019 0.000 1.190 74 V CA -0.888 61.436 62.300 0.040 0.000 1.037 74 V CB 1.927 33.761 31.823 0.018 0.000 1.060 74 V HN 0.379 nan 8.190 nan 0.000 0.437 75 V N 1.894 121.812 119.914 0.007 0.000 2.409 75 V HA 0.722 4.852 4.120 0.017 0.000 0.291 75 V C 0.072 176.157 176.094 -0.015 0.000 1.020 75 V CA 0.128 62.428 62.300 0.001 0.000 0.848 75 V CB 1.443 33.267 31.823 0.002 0.000 0.990 75 V HN 1.136 nan 8.190 nan 0.000 0.430 76 S N 2.900 118.590 115.700 -0.018 0.000 2.536 76 S HA 0.699 5.179 4.470 0.017 0.000 0.298 76 S C 0.895 175.478 174.600 -0.028 0.000 1.083 76 S CA 0.192 58.374 58.200 -0.031 0.000 0.995 76 S CB 1.894 65.069 63.200 -0.042 0.000 1.058 76 S HN 0.901 nan 8.310 nan 0.000 0.488 77 G N 1.459 110.238 108.800 -0.035 0.000 2.833 77 G HA2 0.415 4.385 3.960 0.017 0.000 0.210 77 G HA3 0.415 4.385 3.960 0.017 0.000 0.210 77 G C 0.494 175.373 174.900 -0.035 0.000 1.139 77 G CA 0.372 45.453 45.100 -0.031 0.000 0.771 77 G HN 1.031 nan 8.290 nan 0.000 0.535 78 A N 1.029 123.821 122.820 -0.046 0.000 2.567 78 A HA 0.288 4.618 4.320 0.017 0.000 0.240 78 A C 1.435 179.000 177.584 -0.031 0.000 1.053 78 A CA 0.169 52.177 52.037 -0.049 0.000 0.755 78 A CB 0.388 19.348 19.000 -0.066 0.000 0.978 78 A HN 0.326 nan 8.150 nan 0.000 0.507 79 E N 2.434 122.624 120.200 -0.017 0.000 2.072 79 E HA -0.193 4.167 4.350 0.017 0.000 0.191 79 E C 1.418 178.014 176.600 -0.005 0.000 0.985 79 E CA 1.327 57.724 56.400 -0.006 0.000 0.801 79 E CB -0.328 29.377 29.700 0.008 0.000 0.750 79 E HN 0.957 nan 8.360 nan 0.000 0.452 80 N N 1.921 120.622 118.700 0.002 0.000 2.585 80 N HA -0.082 4.668 4.740 0.017 0.000 0.188 80 N C 0.389 175.885 175.510 -0.025 0.000 1.102 80 N CA 0.574 53.623 53.050 -0.002 0.000 0.920 80 N CB -0.312 38.185 38.487 0.016 0.000 0.963 80 N HN -0.070 nan 8.380 nan 0.000 0.447 81 A N 1.456 124.255 122.820 -0.034 0.000 2.522 81 A HA 0.315 4.645 4.320 0.017 0.000 0.256 81 A C 0.642 178.200 177.584 -0.043 0.000 1.086 81 A CA -0.308 51.701 52.037 -0.047 0.000 0.763 81 A CB -0.036 18.936 19.000 -0.047 0.000 1.024 81 A HN 0.635 nan 8.150 nan 0.000 0.502 82 R N 2.218 122.688 120.500 -0.050 0.000 2.753 82 R HA 0.322 4.672 4.340 0.017 0.000 0.272 82 R C -1.026 175.242 176.300 -0.053 0.000 1.034 82 R CA -0.892 55.178 56.100 -0.050 0.000 0.869 82 R CB 0.612 30.888 30.300 -0.039 0.000 1.264 82 R HN 0.653 nan 8.270 nan 0.000 0.481 83 K N 0.538 120.902 120.400 -0.061 0.000 2.469 83 K HA 0.138 4.468 4.320 0.017 0.000 0.274 83 K C 0.634 177.213 176.600 -0.035 0.000 0.983 83 K CA 1.812 58.066 56.287 -0.056 0.000 0.974 83 K CB -0.009 32.450 32.500 -0.070 0.000 0.913 83 K HN 0.926 nan 8.250 nan 0.000 0.493 84 G N 2.862 111.648 108.800 -0.024 0.000 2.132 84 G HA2 -0.212 3.758 3.960 0.017 0.000 0.234 84 G HA3 -0.212 3.758 3.960 0.017 0.000 0.234 84 G C -0.051 174.855 174.900 0.010 0.000 0.989 84 G CA 0.398 45.496 45.100 -0.004 0.000 0.676 84 G HN 0.778 nan 8.290 nan 0.000 0.522 85 I N -2.684 117.884 120.570 -0.004 0.000 3.145 85 I HA 0.936 5.116 4.170 0.017 0.000 0.313 85 I C 0.503 176.623 176.117 0.005 0.000 1.122 85 I CA -1.164 60.146 61.300 0.016 0.000 0.987 85 I CB 1.872 39.860 38.000 -0.019 0.000 1.236 85 I HN 0.224 nan 8.210 nan 0.000 0.453 86 G N 1.431 110.287 108.800 0.094 0.000 2.389 86 G HA2 0.664 4.634 3.960 0.017 0.000 0.317 86 G HA3 0.664 4.634 3.960 0.017 0.000 0.317 86 G C -0.594 174.257 174.900 -0.082 0.000 1.137 86 G CA -0.584 44.533 45.100 0.029 0.000 0.870 86 G HN 0.983 nan 8.290 nan 0.000 0.496 87 V N -1.698 118.071 119.914 -0.242 0.000 3.160 87 V HA 0.895 5.025 4.120 0.017 0.000 0.310 87 V C 0.049 176.097 176.094 -0.076 0.000 1.181 87 V CA -1.259 60.879 62.300 -0.270 0.000 1.047 87 V CB 1.549 33.233 31.823 -0.230 0.000 1.068 87 V HN 1.339 nan 8.190 nan 0.000 0.441 88 A N 2.667 125.439 122.820 -0.082 0.000 2.391 88 A HA 0.657 4.987 4.320 0.017 0.000 0.316 88 A C -0.349 177.211 177.584 -0.040 0.000 1.381 88 A CA -0.342 51.730 52.037 0.058 0.000 0.998 88 A CB -0.083 18.933 19.000 0.025 0.000 1.147 88 A HN 1.001 nan 8.150 nan 0.000 0.545 89 L N 3.638 124.846 121.223 -0.024 0.000 2.261 89 L HA 0.505 4.855 4.340 0.017 0.000 0.289 89 L C 0.408 177.249 176.870 -0.049 0.000 1.059 89 L CA -0.264 54.548 54.840 -0.046 0.000 0.816 89 L CB 1.025 43.063 42.059 -0.035 0.000 1.191 89 L HN 0.718 nan 8.230 nan 0.000 0.431 90 A N 6.934 129.708 122.820 -0.077 0.000 2.527 90 A HA 0.403 4.733 4.320 0.017 0.000 0.313 90 A C -0.015 177.489 177.584 -0.133 0.000 1.410 90 A CA -0.508 51.474 52.037 -0.092 0.000 1.060 90 A CB -0.087 18.855 19.000 -0.097 0.000 1.137 90 A HN 0.779 nan 8.150 nan 0.000 0.542 91 L N 3.624 124.763 121.223 -0.141 0.000 2.482 91 L HA 0.199 4.549 4.340 0.017 0.000 0.273 91 L C -1.705 174.976 176.870 -0.314 0.000 1.228 91 L CA -1.251 53.435 54.840 -0.257 0.000 0.827 91 L CB 0.232 42.188 42.059 -0.172 0.000 1.099 91 L HN 0.439 nan 8.230 nan 0.000 0.494 92 P HA 0.077 nan 4.420 nan 0.000 0.267 92 P C 0.624 177.794 177.300 -0.216 0.000 1.205 92 P CA 0.648 63.521 63.100 -0.378 0.000 0.765 92 P CB 0.956 32.350 31.700 -0.510 0.000 0.828 93 G N 1.814 110.530 108.800 -0.139 0.000 2.253 93 G HA2 -0.172 3.798 3.960 0.017 0.000 0.209 93 G HA3 -0.172 3.798 3.960 0.017 0.000 0.209 93 G C 0.233 175.089 174.900 -0.072 0.000 0.997 93 G CA -0.187 44.861 45.100 -0.086 0.000 0.640 93 G HN 0.591 nan 8.290 nan 0.000 0.496 94 T N 1.037 115.538 114.554 -0.088 0.000 2.930 94 T HA 0.457 4.817 4.350 0.017 0.000 0.306 94 T C 0.042 174.706 174.700 -0.060 0.000 1.045 94 T CA 0.504 62.562 62.100 -0.069 0.000 1.134 94 T CB 1.876 70.697 68.868 -0.079 0.000 0.961 94 T HN 0.360 nan 8.240 nan 0.000 0.545 95 E N 1.752 121.924 120.200 -0.046 0.000 2.133 95 E HA 0.440 4.799 4.350 0.017 0.000 0.274 95 E C -1.197 175.378 176.600 -0.041 0.000 0.930 95 E CA -0.637 55.739 56.400 -0.040 0.000 0.770 95 E CB 0.473 30.156 29.700 -0.029 0.000 1.104 95 E HN 0.198 nan 8.360 nan 0.000 0.403 96 L N 6.122 127.318 121.223 -0.045 0.000 2.331 96 L HA 0.424 4.774 4.340 0.017 0.000 0.275 96 L C -1.608 175.239 176.870 -0.039 0.000 1.022 96 L CA -2.383 52.428 54.840 -0.048 0.000 0.812 96 L CB 0.991 43.014 42.059 -0.061 0.000 1.257 96 L HN 0.533 nan 8.230 nan 0.000 0.435 97 P HA -0.150 nan 4.420 nan 0.000 0.214 97 P C 1.312 178.596 177.300 -0.027 0.000 1.169 97 P CA 1.678 64.763 63.100 -0.026 0.000 0.908 97 P CB 0.190 31.875 31.700 -0.024 0.000 0.791 98 G N 0.225 109.004 108.800 -0.035 0.000 2.666 98 G HA2 -0.163 3.807 3.960 0.017 0.000 0.215 98 G HA3 -0.163 3.807 3.960 0.017 0.000 0.215 98 G C 0.471 175.352 174.900 -0.032 0.000 1.294 98 G CA 0.072 45.151 45.100 -0.034 0.000 0.811 98 G HN 0.192 nan 8.290 nan 0.000 0.594 99 L N 2.417 123.617 121.223 -0.039 0.000 2.500 99 L HA 0.170 4.520 4.340 0.017 0.000 0.272 99 L C 1.949 178.800 176.870 -0.032 0.000 1.149 99 L CA 0.223 55.042 54.840 -0.036 0.000 0.897 99 L CB 1.144 43.178 42.059 -0.043 0.000 1.178 99 L HN 0.316 nan 8.230 nan 0.000 0.473 100 G N 3.632 112.416 108.800 -0.026 0.000 2.534 100 G HA2 -0.112 3.858 3.960 0.017 0.000 0.217 100 G HA3 -0.112 3.858 3.960 0.017 0.000 0.217 100 G C 0.589 175.475 174.900 -0.025 0.000 1.128 100 G CA -0.094 44.992 45.100 -0.023 0.000 0.784 100 G HN 0.632 nan 8.290 nan 0.000 0.542 101 Q N 0.418 120.202 119.800 -0.028 0.000 2.279 101 Q HA 0.388 4.737 4.340 0.017 0.000 0.256 101 Q C 0.042 176.020 176.000 -0.037 0.000 0.937 101 Q CA -0.296 55.489 55.803 -0.030 0.000 0.933 101 Q CB 1.718 30.439 28.738 -0.029 0.000 1.189 101 Q HN 0.146 nan 8.270 nan 0.000 0.417 102 K N 1.531 121.908 120.400 -0.037 0.000 2.355 102 K HA 0.141 4.471 4.320 0.017 0.000 0.270 102 K C -0.592 175.973 176.600 -0.059 0.000 1.003 102 K CA -0.360 55.899 56.287 -0.046 0.000 0.957 102 K CB 0.638 33.112 32.500 -0.042 0.000 0.939 102 K HN 0.402 nan 8.250 nan 0.000 0.482 103 V N 3.145 123.014 119.914 -0.074 0.000 2.585 103 V HA 0.197 4.327 4.120 0.017 0.000 0.296 103 V C 0.929 176.957 176.094 -0.111 0.000 1.035 103 V CA 0.692 62.936 62.300 -0.094 0.000 1.084 103 V CB 0.792 32.547 31.823 -0.114 0.000 0.953 103 V HN 0.993 nan 8.190 nan 0.000 0.483 104 G N 3.573 112.308 108.800 -0.109 0.000 3.022 104 G HA2 0.520 4.490 3.960 0.017 0.000 0.284 104 G HA3 0.520 4.490 3.960 0.017 0.000 0.284 104 G C -1.103 173.726 174.900 -0.118 0.000 1.375 104 G CA -0.516 44.517 45.100 -0.111 0.000 0.902 104 G HN 0.542 nan 8.290 nan 0.000 0.538 105 E N 0.289 120.446 120.200 -0.071 0.000 2.046 105 E HA 0.381 4.740 4.350 0.017 0.000 0.279 105 E C -0.414 176.195 176.600 0.014 0.000 0.989 105 E CA -0.197 56.204 56.400 0.001 0.000 0.798 105 E CB 0.677 30.440 29.700 0.105 0.000 1.086 105 E HN 0.261 nan 8.360 nan 0.000 0.399 106 R N 1.517 122.023 120.500 0.009 0.000 2.711 106 R HA 0.412 4.762 4.340 0.017 0.000 0.284 106 R C -0.792 175.518 176.300 0.017 0.000 0.968 106 R CA -0.831 55.273 56.100 0.006 0.000 0.924 106 R CB 1.837 32.132 30.300 -0.009 0.000 1.162 106 R HN 0.160 nan 8.270 nan 0.000 0.465 107 V N 4.039 123.961 119.914 0.013 0.000 2.455 107 V HA 0.061 4.191 4.120 0.017 0.000 0.273 107 V C 0.800 176.897 176.094 0.005 0.000 1.045 107 V CA 0.240 62.547 62.300 0.012 0.000 0.976 107 V CB 0.857 32.685 31.823 0.008 0.000 0.993 107 V HN 0.703 nan 8.190 nan 0.000 0.475 108 I N 2.947 123.520 120.570 0.005 0.000 2.522 108 I HA 0.104 4.284 4.170 0.017 0.000 0.240 108 I C 1.190 177.306 176.117 -0.002 0.000 1.078 108 I CA 1.157 62.456 61.300 -0.001 0.000 1.422 108 I CB 0.315 38.314 38.000 -0.001 0.000 1.188 108 I HN 0.577 nan 8.210 nan 0.000 0.442 109 Q N -0.218 119.581 119.800 -0.001 0.000 3.712 109 Q HA 0.301 4.651 4.340 0.017 0.000 0.242 109 Q C 0.087 176.085 176.000 -0.003 0.000 0.837 109 Q CA 0.540 56.341 55.803 -0.003 0.000 0.826 109 Q CB 1.204 29.941 28.738 -0.003 0.000 1.529 109 Q HN 0.577 nan 8.270 nan 0.000 0.405 110 G N -0.080 108.718 108.800 -0.004 0.000 2.195 110 G HA2 -0.257 3.713 3.960 0.017 0.000 0.246 110 G HA3 -0.257 3.713 3.960 0.017 0.000 0.246 110 G C -0.108 174.788 174.900 -0.007 0.000 0.984 110 G CA 0.314 45.410 45.100 -0.006 0.000 0.633 110 G HN 0.520 nan 8.290 nan 0.000 0.525 111 V N 1.919 121.832 119.914 -0.003 0.000 2.604 111 V HA 0.820 4.950 4.120 0.017 0.000 0.305 111 V C 0.153 176.253 176.094 0.010 0.000 1.043 111 V CA -0.664 61.636 62.300 0.000 0.000 0.888 111 V CB 1.445 33.269 31.823 0.001 0.000 0.995 111 V HN 0.629 nan 8.190 nan 0.000 0.429 112 R N 4.083 124.593 120.500 0.017 0.000 2.198 112 R HA 0.532 4.882 4.340 0.017 0.000 0.339 112 R C -0.169 176.169 176.300 0.063 0.000 1.020 112 R CA -0.162 55.960 56.100 0.037 0.000 0.864 112 R CB 1.286 31.611 30.300 0.042 0.000 1.105 112 R HN 0.590 nan 8.270 nan 0.000 0.463 113 S N 3.373 119.109 115.700 0.060 0.000 2.455 113 S HA 0.038 4.517 4.470 0.017 0.000 0.278 113 S C 0.452 175.130 174.600 0.131 0.000 1.216 113 S CA -0.715 57.527 58.200 0.071 0.000 1.055 113 S CB 0.028 63.243 63.200 0.025 0.000 0.939 113 S HN 0.606 nan 8.310 nan 0.000 0.494 114 F N 5.328 125.265 119.950 -0.022 0.000 2.365 114 F HA 0.261 4.797 4.527 0.017 0.000 0.300 114 F C 1.276 177.062 175.800 -0.023 0.000 1.090 114 F CA 1.044 59.032 58.000 -0.021 0.000 1.408 114 F CB -0.260 38.729 39.000 -0.019 0.000 1.060 114 F HN 0.701 nan 8.300 nan 0.000 0.534 115 G N -0.702 108.031 108.800 -0.112 0.000 2.562 115 G HA2 0.474 4.444 3.960 0.017 0.000 0.190 115 G HA3 0.474 4.444 3.960 0.017 0.000 0.190 115 G C -1.374 173.469 174.900 -0.096 0.000 1.196 115 G CA -0.226 44.753 45.100 -0.202 0.000 0.986 115 G HN 0.147 nan 8.290 nan 0.000 0.512 116 M N -1.042 118.501 119.600 -0.095 0.000 2.465 116 M HA 0.824 5.314 4.480 0.017 0.000 0.284 116 M C -0.541 175.710 176.300 -0.081 0.000 1.212 116 M CA -0.976 54.279 55.300 -0.075 0.000 0.910 116 M CB 2.118 34.672 32.600 -0.077 0.000 1.725 116 M HN 1.135 nan 8.290 nan 0.000 0.477 117 A N 2.888 125.660 122.820 -0.081 0.000 2.286 117 A HA 0.919 5.249 4.320 0.017 0.000 0.286 117 A C -0.709 176.807 177.584 -0.112 0.000 1.097 117 A CA -0.716 51.262 52.037 -0.098 0.000 0.821 117 A CB 0.560 19.498 19.000 -0.104 0.000 1.076 117 A HN 0.852 nan 8.150 nan 0.000 0.490 118 L N 0.885 122.028 121.223 -0.132 0.000 2.319 118 L HA 0.624 4.974 4.340 0.017 0.000 0.267 118 L C 0.618 177.393 176.870 -0.158 0.000 1.011 118 L CA -0.726 54.030 54.840 -0.141 0.000 0.818 118 L CB 1.986 43.961 42.059 -0.140 0.000 1.316 118 L HN 0.790 nan 8.230 nan 0.000 0.432 119 S N -0.220 115.388 115.700 -0.153 0.000 2.672 119 S HA 0.482 4.962 4.470 0.017 0.000 0.276 119 S C -2.119 172.393 174.600 -0.146 0.000 1.207 119 S CA -1.231 56.877 58.200 -0.154 0.000 1.002 119 S CB 1.595 64.669 63.200 -0.210 0.000 0.998 119 S HN 0.414 nan 8.310 nan 0.000 0.542 120 P HA -0.075 nan 4.420 nan 0.000 0.215 120 P C 1.603 178.803 177.300 -0.167 0.000 1.153 120 P CA 1.042 64.037 63.100 -0.174 0.000 0.853 120 P CB 0.003 31.691 31.700 -0.021 0.000 0.788 121 R N 0.416 120.860 120.500 -0.094 0.000 2.091 121 R HA -0.181 4.169 4.340 0.017 0.000 0.238 121 R C 2.126 178.371 176.300 -0.093 0.000 1.136 121 R CA 1.769 57.825 56.100 -0.073 0.000 0.959 121 R CB -0.482 29.775 30.300 -0.071 0.000 0.856 121 R HN 0.229 nan 8.270 nan 0.000 0.437 122 E N -0.138 119.992 120.200 -0.116 0.000 2.106 122 E HA -0.195 4.165 4.350 0.017 0.000 0.192 122 E C 1.836 178.364 176.600 -0.120 0.000 0.984 122 E CA 1.003 57.338 56.400 -0.109 0.000 0.806 122 E CB -0.113 29.518 29.700 -0.115 0.000 0.750 122 E HN 0.216 nan 8.360 nan 0.000 0.458 123 L N -0.245 120.880 121.223 -0.163 0.000 2.291 123 L HA 0.077 4.427 4.340 0.017 0.000 0.214 123 L C 1.442 178.213 176.870 -0.166 0.000 1.120 123 L CA 1.876 56.599 54.840 -0.195 0.000 0.799 123 L CB -0.043 41.834 42.059 -0.302 0.000 0.925 123 L HN 0.288 nan 8.230 nan 0.000 0.446 124 G N -1.625 107.093 108.800 -0.138 0.000 2.175 124 G HA2 -0.271 3.699 3.960 0.017 0.000 0.244 124 G HA3 -0.271 3.699 3.960 0.017 0.000 0.244 124 G C 0.929 175.817 174.900 -0.021 0.000 0.982 124 G CA 0.753 45.816 45.100 -0.061 0.000 0.641 124 G HN 0.783 nan 8.290 nan 0.000 0.527 125 V N -1.632 118.175 119.914 -0.179 0.000 3.461 125 V HA 0.631 4.761 4.120 0.017 0.000 0.267 125 V C 1.110 177.072 176.094 -0.220 0.000 1.186 125 V CA 1.432 63.626 62.300 -0.178 0.000 1.154 125 V CB 0.086 31.442 31.823 -0.778 0.000 0.802 125 V HN 1.782 nan 8.190 nan 0.000 0.474 126 G N -0.603 108.078 108.800 -0.197 0.000 2.559 126 G HA2 0.428 4.398 3.960 0.017 0.000 0.291 126 G HA3 0.428 4.398 3.960 0.017 0.000 0.291 126 G C -0.296 174.654 174.900 0.083 0.000 1.424 126 G CA 0.222 45.326 45.100 0.007 0.000 0.786 126 G HN 0.021 nan 8.290 nan 0.000 0.485 127 E N -1.093 119.213 120.200 0.177 0.000 2.158 127 E HA -0.012 4.348 4.350 0.017 0.000 0.191 127 E C 1.699 178.409 176.600 0.184 0.000 0.982 127 E CA 0.563 57.052 56.400 0.149 0.000 0.823 127 E CB -0.148 29.642 29.700 0.151 0.000 0.766 127 E HN 0.462 nan 8.360 nan 0.000 0.468 128 Y N 0.774 121.132 120.300 0.096 0.000 1.888 128 Y HA -0.360 4.200 4.550 0.016 0.000 0.236 128 Y C 2.072 177.992 175.900 0.034 0.000 1.145 128 Y CA 2.390 60.537 58.100 0.077 0.000 1.055 128 Y CB -1.033 37.500 38.460 0.121 0.000 0.893 128 Y HN 0.241 nan 8.280 nan 0.000 0.506 129 G N -1.861 106.722 108.800 -0.362 0.000 2.238 129 G HA2 -0.303 3.667 3.960 0.017 0.000 0.270 129 G HA3 -0.303 3.667 3.960 0.017 0.000 0.270 129 G C 1.223 175.728 174.900 -0.659 0.000 0.977 129 G CA 0.948 45.787 45.100 -0.435 0.000 0.639 129 G HN 1.199 nan 8.290 nan 0.000 0.544 130 G N -0.173 107.790 108.800 -1.396 0.000 3.314 130 G HA2 0.639 4.609 3.960 0.017 0.000 0.238 130 G HA3 0.639 4.609 3.960 0.017 0.000 0.238 130 G C 0.637 175.223 174.900 -0.523 0.000 1.184 130 G CA 1.029 45.641 45.100 -0.813 0.000 0.806 130 G HN 1.693 nan 8.290 nan 0.000 0.536 131 G N -0.738 107.754 108.800 -0.512 0.000 2.355 131 G HA2 0.358 4.328 3.960 0.017 0.000 0.296 131 G HA3 0.358 4.328 3.960 0.017 0.000 0.296 131 G C -0.645 174.192 174.900 -0.105 0.000 1.507 131 G CA -1.137 43.876 45.100 -0.144 0.000 0.823 131 G HN 0.214 nan 8.290 nan 0.000 0.569 132 L N -0.012 121.166 121.223 -0.076 0.000 2.476 132 L HA 0.377 4.727 4.340 0.017 0.000 0.264 132 L C 0.629 177.438 176.870 -0.102 0.000 1.224 132 L CA -0.496 54.278 54.840 -0.111 0.000 0.821 132 L CB 0.273 42.251 42.059 -0.135 0.000 1.101 132 L HN 0.376 nan 8.230 nan 0.000 0.488 133 L N 1.201 122.299 121.223 -0.208 0.000 2.397 133 L HA 0.194 4.544 4.340 0.017 0.000 0.271 133 L C 0.143 176.714 176.870 -0.499 0.000 1.148 133 L CA 0.245 54.917 54.840 -0.279 0.000 0.825 133 L CB 0.516 42.327 42.059 -0.413 0.000 1.117 133 L HN 0.557 nan 8.230 nan 0.000 0.456 134 E N 2.476 122.461 120.200 -0.359 0.000 2.165 134 E HA 0.465 4.825 4.350 0.017 0.000 0.266 134 E C -1.431 175.105 176.600 -0.106 0.000 0.889 134 E CA -0.519 55.724 56.400 -0.262 0.000 0.756 134 E CB 1.471 31.128 29.700 -0.072 0.000 1.131 134 E HN 0.177 nan 8.360 nan 0.000 0.411 135 F N 2.052 122.072 119.950 0.117 0.000 2.579 135 F HA 0.422 4.959 4.527 0.016 0.000 0.324 135 F C -2.187 173.706 175.800 0.154 0.000 1.058 135 F CA -3.210 54.890 58.000 0.168 0.000 0.944 135 F CB 0.627 39.831 39.000 0.340 0.000 1.245 135 F HN 0.213 nan 8.300 nan 0.000 0.477 136 P HA 0.015 nan 4.420 nan 0.000 0.262 136 P C 0.849 178.329 177.300 0.301 0.000 1.199 136 P CA 0.436 63.651 63.100 0.192 0.000 0.763 136 P CB 0.453 32.202 31.700 0.081 0.000 0.790 137 E N 3.195 123.539 120.200 0.240 0.000 2.208 137 E HA -0.296 4.064 4.350 0.017 0.000 0.202 137 E C 0.474 177.309 176.600 0.392 0.000 1.014 137 E CA 1.993 58.556 56.400 0.271 0.000 0.819 137 E CB -0.002 29.779 29.700 0.136 0.000 0.735 137 E HN 0.569 nan 8.360 nan 0.000 0.469 138 D N -1.435 119.104 120.400 0.232 0.000 2.388 138 D HA 0.186 4.836 4.640 0.017 0.000 0.221 138 D C 1.314 177.585 176.300 -0.049 0.000 1.133 138 D CA 0.516 54.595 54.000 0.131 0.000 0.831 138 D CB 0.459 41.296 40.800 0.063 0.000 0.962 138 D HN 0.221 nan 8.370 nan 0.000 0.502 139 A N -0.016 122.701 122.820 -0.171 0.000 1.927 139 A HA 0.051 4.381 4.320 0.017 0.000 0.220 139 A C 0.584 177.810 177.584 -0.597 0.000 1.185 139 A CA 1.061 52.835 52.037 -0.438 0.000 0.639 139 A CB -0.245 18.426 19.000 -0.548 0.000 0.820 139 A HN 0.336 nan 8.150 nan 0.000 0.451 140 L N -2.571 118.061 121.223 -0.985 0.000 2.491 140 L HA 0.453 4.803 4.340 0.017 0.000 0.254 140 L C -2.689 174.072 176.870 -0.182 0.000 1.048 140 L CA -1.986 52.510 54.840 -0.573 0.000 0.855 140 L CB 1.864 43.540 42.059 -0.638 0.000 1.466 140 L HN -0.115 nan 8.230 nan 0.000 0.409 141 P HA 0.186 nan 4.420 nan 0.000 0.276 141 P C -2.610 174.825 177.300 0.225 0.000 1.264 141 P CA -1.316 61.843 63.100 0.098 0.000 0.769 141 P CB -0.155 31.575 31.700 0.050 0.000 0.840 142 P HA -0.109 nan 4.420 nan 0.000 0.257 142 P C 1.202 178.607 177.300 0.176 0.000 1.153 142 P CA 1.574 64.832 63.100 0.264 0.000 0.762 142 P CB -0.310 31.472 31.700 0.138 0.000 0.743 143 G N 2.422 111.330 108.800 0.180 0.000 2.424 143 G HA2 -0.216 3.754 3.960 0.017 0.000 0.207 143 G HA3 -0.216 3.754 3.960 0.017 0.000 0.207 143 G C 0.113 175.091 174.900 0.130 0.000 1.061 143 G CA 0.079 45.255 45.100 0.125 0.000 0.657 143 G HN 0.740 nan 8.290 nan 0.000 0.508 144 T N 2.510 117.149 114.554 0.142 0.000 2.849 144 T HA 0.425 4.785 4.350 0.017 0.000 0.289 144 T C -2.236 172.533 174.700 0.115 0.000 1.010 144 T CA -0.120 62.043 62.100 0.104 0.000 1.161 144 T CB 0.938 69.850 68.868 0.072 0.000 0.989 144 T HN 0.325 nan 8.240 nan 0.000 0.523 145 P HA 0.055 nan 4.420 nan 0.000 0.265 145 P C 0.928 178.278 177.300 0.082 0.000 1.193 145 P CA -0.571 62.574 63.100 0.074 0.000 0.765 145 P CB 0.412 32.143 31.700 0.053 0.000 0.823 146 L N 4.223 125.498 121.223 0.086 0.000 2.012 146 L HA -0.210 4.140 4.340 0.017 0.000 0.210 146 L C 2.252 179.182 176.870 0.099 0.000 1.073 146 L CA 2.474 57.367 54.840 0.088 0.000 0.748 146 L CB -1.771 40.318 42.059 0.050 0.000 0.891 146 L HN 0.460 nan 8.230 nan 0.000 0.431 147 S N -1.199 114.551 115.700 0.083 0.000 2.400 147 S HA -0.358 4.122 4.470 0.017 0.000 0.234 147 S C 1.899 176.570 174.600 0.119 0.000 1.049 147 S CA 1.657 59.927 58.200 0.116 0.000 1.039 147 S CB -0.909 62.341 63.200 0.082 0.000 0.856 147 S HN 0.593 nan 8.310 nan 0.000 0.465 148 E N 1.476 121.724 120.200 0.080 0.000 2.147 148 E HA -0.136 4.224 4.350 0.017 0.000 0.199 148 E C 1.994 178.625 176.600 0.051 0.000 1.005 148 E CA 1.531 57.964 56.400 0.055 0.000 0.810 148 E CB -0.370 29.351 29.700 0.035 0.000 0.736 148 E HN 0.800 nan 8.360 nan 0.000 0.460 149 A N -1.088 121.770 122.820 0.064 0.000 2.343 149 A HA 0.039 4.369 4.320 0.017 0.000 0.223 149 A C 0.107 177.753 177.584 0.103 0.000 1.214 149 A CA -0.341 51.716 52.037 0.034 0.000 0.900 149 A CB 0.333 19.310 19.000 -0.038 0.000 0.942 149 A HN 0.340 nan 8.150 nan 0.000 0.507 150 W N 2.286 123.562 121.300 -0.040 0.000 2.433 150 W HA 0.422 5.092 4.660 0.016 0.000 0.288 150 W C -3.412 173.145 176.519 0.064 0.000 0.986 150 W CA -2.902 54.432 57.345 -0.018 0.000 1.680 150 W CB 1.279 30.683 29.460 -0.094 0.000 1.615 150 W HN 0.054 nan 8.180 nan 0.000 0.416 151 P HA 0.112 nan 4.420 nan 0.000 0.276 151 P C 0.015 177.555 177.300 0.399 0.000 1.252 151 P CA 0.167 63.429 63.100 0.271 0.000 0.802 151 P CB 1.168 32.963 31.700 0.158 0.000 1.035 152 E N 0.233 120.617 120.200 0.305 0.000 2.409 152 E HA 0.235 4.595 4.350 0.017 0.000 0.257 152 E C -0.169 176.533 176.600 0.170 0.000 1.150 152 E CA -0.194 56.372 56.400 0.277 0.000 0.942 152 E CB 0.399 30.186 29.700 0.144 0.000 0.979 152 E HN 0.469 nan 8.360 nan 0.000 0.447 153 E N -0.108 120.091 120.200 -0.000 0.000 2.416 153 E HA 0.378 4.738 4.350 0.017 0.000 0.273 153 E C -1.873 174.689 176.600 -0.064 0.000 0.935 153 E CA -0.859 55.541 56.400 -0.001 0.000 0.784 153 E CB 1.902 31.610 29.700 0.012 0.000 1.301 153 E HN 0.241 nan 8.360 nan 0.000 0.454 154 V N 1.995 121.918 119.914 0.016 0.000 2.417 154 V HA 0.560 4.690 4.120 0.017 0.000 0.291 154 V C -0.736 175.381 176.094 0.039 0.000 1.024 154 V CA -0.869 61.423 62.300 -0.014 0.000 0.861 154 V CB 1.412 33.190 31.823 -0.075 0.000 0.985 154 V HN 0.557 nan 8.190 nan 0.000 0.436 155 V N 6.167 126.079 119.914 -0.004 0.000 2.407 155 V HA 0.434 4.564 4.120 0.017 0.000 0.291 155 V C -0.403 175.697 176.094 0.010 0.000 1.018 155 V CA -0.510 61.801 62.300 0.018 0.000 0.842 155 V CB 1.617 33.440 31.823 -0.000 0.000 0.996 155 V HN 0.648 nan 8.190 nan 0.000 0.426 156 L N 4.013 125.249 121.223 0.020 0.000 2.290 156 L HA 0.396 4.745 4.340 0.017 0.000 0.284 156 L C 0.160 177.028 176.870 -0.004 0.000 1.078 156 L CA 0.198 55.042 54.840 0.007 0.000 0.815 156 L CB 0.697 42.764 42.059 0.013 0.000 1.162 156 L HN 0.559 nan 8.230 nan 0.000 0.435 157 D N 2.643 123.043 120.400 -0.001 0.000 2.393 157 D HA 0.361 5.011 4.640 0.017 0.000 0.232 157 D C -0.447 175.854 176.300 0.002 0.000 1.192 157 D CA -0.140 53.859 54.000 -0.002 0.000 0.882 157 D CB 0.616 41.418 40.800 0.003 0.000 1.038 157 D HN 0.176 nan 8.370 nan 0.000 0.499 158 L N 2.237 123.455 121.223 -0.008 0.000 2.400 158 L HA 0.460 4.810 4.340 0.017 0.000 0.264 158 L C -0.222 176.668 176.870 0.035 0.000 1.061 158 L CA -0.423 54.423 54.840 0.009 0.000 0.799 158 L CB 1.515 43.553 42.059 -0.034 0.000 1.240 158 L HN 0.289 nan 8.230 nan 0.000 0.461 159 E N 1.437 121.689 120.200 0.088 0.000 2.235 159 E HA 0.377 4.736 4.350 0.017 0.000 0.252 159 E C -1.874 174.841 176.600 0.192 0.000 0.886 159 E CA -0.590 55.872 56.400 0.102 0.000 0.767 159 E CB 1.267 31.013 29.700 0.077 0.000 1.205 159 E HN 0.396 nan 8.360 nan 0.000 0.421 160 V N 4.420 124.434 119.914 0.166 0.000 2.348 160 V HA 0.177 4.307 4.120 0.017 0.000 0.270 160 V C 0.448 176.640 176.094 0.164 0.000 1.037 160 V CA -0.591 61.849 62.300 0.234 0.000 0.872 160 V CB 0.864 32.772 31.823 0.142 0.000 1.002 160 V HN 0.687 nan 8.190 nan 0.000 0.464 161 T N 7.212 121.850 114.554 0.140 0.000 2.926 161 T HA 0.119 4.479 4.350 0.017 0.000 0.307 161 T C -1.454 173.284 174.700 0.062 0.000 1.059 161 T CA -0.848 61.288 62.100 0.060 0.000 1.122 161 T CB 0.650 69.508 68.868 -0.017 0.000 0.972 161 T HN 0.494 nan 8.240 nan 0.000 0.545 162 P HA -0.119 nan 4.420 nan 0.000 0.223 162 P C 1.251 178.562 177.300 0.019 0.000 1.144 162 P CA 0.790 63.904 63.100 0.024 0.000 0.783 162 P CB -0.025 31.687 31.700 0.020 0.000 0.771 163 N N -0.877 117.835 118.700 0.020 0.000 2.422 163 N HA -0.059 4.691 4.740 0.017 0.000 0.181 163 N C 0.528 176.059 175.510 0.034 0.000 1.080 163 N CA 0.504 53.564 53.050 0.017 0.000 0.893 163 N CB -0.148 38.341 38.487 0.003 0.000 0.973 163 N HN -0.031 nan 8.380 nan 0.000 0.456 164 R N 1.257 121.796 120.500 0.065 0.000 3.194 164 R HA 0.300 4.650 4.340 0.017 0.000 0.306 164 R C -1.787 174.563 176.300 0.082 0.000 1.347 164 R CA -1.803 54.365 56.100 0.112 0.000 1.540 164 R CB 0.679 31.127 30.300 0.247 0.000 1.352 164 R HN 0.229 nan 8.270 nan 0.000 0.621 165 P HA -0.126 nan 4.420 nan 0.000 0.223 165 P C 0.482 177.769 177.300 -0.022 0.000 1.151 165 P CA 0.965 64.060 63.100 -0.009 0.000 0.787 165 P CB 0.326 32.013 31.700 -0.021 0.000 0.788 166 D N 0.571 120.977 120.400 0.011 0.000 2.310 166 D HA -0.080 4.570 4.640 0.017 0.000 0.212 166 D C 1.628 177.880 176.300 -0.081 0.000 0.965 166 D CA 0.763 54.757 54.000 -0.009 0.000 0.879 166 D CB -0.710 40.149 40.800 0.098 0.000 0.921 166 D HN 0.125 nan 8.370 nan 0.000 0.510 167 A N 0.590 123.375 122.820 -0.058 0.000 2.206 167 A HA 0.112 4.442 4.320 0.017 0.000 0.211 167 A C 2.255 179.726 177.584 -0.188 0.000 1.158 167 A CA 0.014 51.959 52.037 -0.153 0.000 0.761 167 A CB -0.668 18.270 19.000 -0.103 0.000 0.801 167 A HN 0.245 nan 8.150 nan 0.000 0.473 168 L N -0.455 120.689 121.223 -0.132 0.000 2.610 168 L HA 0.102 4.452 4.340 0.017 0.000 0.232 168 L C 1.241 177.992 176.870 -0.198 0.000 1.149 168 L CA 0.163 54.924 54.840 -0.131 0.000 0.872 168 L CB -0.210 41.801 42.059 -0.080 0.000 0.992 168 L HN 0.405 nan 8.230 nan 0.000 0.447 169 G N -0.903 107.752 108.800 -0.242 0.000 2.416 169 G HA2 0.451 4.421 3.960 0.017 0.000 0.324 169 G HA3 0.451 4.421 3.960 0.017 0.000 0.324 169 G C 0.674 175.338 174.900 -0.394 0.000 1.194 169 G CA -0.599 44.317 45.100 -0.306 0.000 0.922 169 G HN -0.031 nan 8.290 nan 0.000 0.467 170 L N 2.066 122.989 121.223 -0.499 0.000 2.043 170 L HA -0.131 4.219 4.340 0.017 0.000 0.212 170 L C 2.760 179.290 176.870 -0.566 0.000 1.075 170 L CA 0.859 55.376 54.840 -0.539 0.000 0.752 170 L CB -0.233 41.427 42.059 -0.665 0.000 0.891 170 L HN 0.493 nan 8.230 nan 0.000 0.432 171 L N -0.100 120.686 121.223 -0.728 0.000 2.191 171 L HA -0.159 4.191 4.340 0.017 0.000 0.212 171 L C 2.419 179.003 176.870 -0.475 0.000 1.103 171 L CA 1.374 55.755 54.840 -0.765 0.000 0.769 171 L CB -0.721 40.909 42.059 -0.714 0.000 0.908 171 L HN 0.336 nan 8.230 nan 0.000 0.438 172 G N -0.014 108.544 108.800 -0.402 0.000 2.404 172 G HA2 -0.242 3.728 3.960 0.017 0.000 0.215 172 G HA3 -0.242 3.728 3.960 0.017 0.000 0.215 172 G C 1.529 176.267 174.900 -0.270 0.000 1.174 172 G CA 0.583 45.494 45.100 -0.315 0.000 0.780 172 G HN 0.330 nan 8.290 nan 0.000 0.537 173 L N 0.905 121.935 121.223 -0.321 0.000 2.027 173 L HA 0.042 4.392 4.340 0.017 0.000 0.206 173 L C 3.372 180.108 176.870 -0.224 0.000 1.074 173 L CA 1.052 55.704 54.840 -0.314 0.000 0.745 173 L CB -0.524 41.298 42.059 -0.394 0.000 0.898 173 L HN 0.247 nan 8.230 nan 0.000 0.433 174 A N 0.118 122.792 122.820 -0.242 0.000 1.986 174 A HA -0.279 4.051 4.320 0.017 0.000 0.220 174 A C 2.422 179.948 177.584 -0.096 0.000 1.171 174 A CA 2.004 53.945 52.037 -0.161 0.000 0.640 174 A CB -0.618 18.287 19.000 -0.159 0.000 0.811 174 A HN 0.321 nan 8.150 nan 0.000 0.451 175 R N -0.617 119.802 120.500 -0.134 0.000 2.148 175 R HA -0.104 4.246 4.340 0.017 0.000 0.227 175 R C 1.320 177.646 176.300 0.044 0.000 1.103 175 R CA 1.530 57.592 56.100 -0.063 0.000 0.983 175 R CB -0.171 30.052 30.300 -0.127 0.000 0.874 175 R HN 0.521 nan 8.270 nan 0.000 0.451 176 D N -0.172 120.232 120.400 0.007 0.000 2.106 176 D HA -0.081 4.569 4.640 0.017 0.000 0.203 176 D C 1.790 178.134 176.300 0.074 0.000 0.977 176 D CA 0.977 55.008 54.000 0.052 0.000 0.844 176 D CB -0.165 40.669 40.800 0.058 0.000 1.002 176 D HN 0.117 nan 8.370 nan 0.000 0.461 177 L N 0.513 121.749 121.223 0.022 0.000 2.051 177 L HA -0.272 4.078 4.340 0.017 0.000 0.214 177 L C 2.517 179.521 176.870 0.223 0.000 1.076 177 L CA 1.482 56.338 54.840 0.026 0.000 0.758 177 L CB -0.692 41.201 42.059 -0.277 0.000 0.890 177 L HN 0.324 nan 8.230 nan 0.000 0.433 178 H N 0.223 119.339 119.070 0.076 0.000 2.319 178 H HA -0.224 4.342 4.556 0.017 0.000 0.297 178 H C 2.164 177.540 175.328 0.080 0.000 1.097 178 H CA 1.639 57.745 56.048 0.097 0.000 1.285 178 H CB 0.291 30.073 29.762 0.034 0.000 1.368 178 H HN 0.387 nan 8.280 nan 0.000 0.495 179 A N 1.245 124.098 122.820 0.055 0.000 1.948 179 A HA -0.142 4.188 4.320 0.017 0.000 0.220 179 A C 2.665 180.221 177.584 -0.046 0.000 1.177 179 A CA 1.353 53.378 52.037 -0.020 0.000 0.636 179 A CB -0.849 18.169 19.000 0.030 0.000 0.815 179 A HN 0.461 nan 8.150 nan 0.000 0.449 180 L N -1.850 119.391 121.223 0.031 0.000 2.465 180 L HA 0.074 4.424 4.340 0.017 0.000 0.224 180 L C 1.832 178.670 176.870 -0.054 0.000 1.145 180 L CA 0.723 55.584 54.840 0.035 0.000 0.834 180 L CB -0.243 41.916 42.059 0.166 0.000 0.944 180 L HN 0.647 nan 8.230 nan 0.000 0.451 181 G N -2.377 106.360 108.800 -0.105 0.000 2.296 181 G HA2 -0.238 3.732 3.960 0.017 0.000 0.188 181 G HA3 -0.238 3.732 3.960 0.017 0.000 0.188 181 G C 0.053 174.845 174.900 -0.180 0.000 1.000 181 G CA -0.668 44.316 45.100 -0.194 0.000 0.672 181 G HN 0.135 nan 8.290 nan 0.000 0.483 182 Y N 1.610 121.861 120.300 -0.082 0.000 2.550 182 Y HA 0.447 5.006 4.550 0.016 0.000 0.343 182 Y C 1.226 177.169 175.900 0.071 0.000 1.245 182 Y CA 0.588 58.686 58.100 -0.004 0.000 1.462 182 Y CB 0.709 39.185 38.460 0.027 0.000 1.340 182 Y HN 0.432 nan 8.280 nan 0.000 0.604 183 A N 3.124 126.109 122.820 0.276 0.000 2.401 183 A HA 0.465 4.795 4.320 0.017 0.000 0.259 183 A C -1.090 176.653 177.584 0.266 0.000 1.103 183 A CA -0.442 51.746 52.037 0.252 0.000 0.789 183 A CB 0.163 19.247 19.000 0.141 0.000 1.035 183 A HN 0.645 nan 8.150 nan 0.000 0.491 184 L N 3.291 124.646 121.223 0.220 0.000 2.322 184 L HA 0.612 4.962 4.340 0.017 0.000 0.281 184 L C -0.807 176.052 176.870 -0.018 0.000 1.014 184 L CA -0.170 54.681 54.840 0.019 0.000 0.815 184 L CB 2.031 43.905 42.059 -0.308 0.000 1.247 184 L HN 0.373 nan 8.230 nan 0.000 0.421 185 V N 4.572 124.503 119.914 0.028 0.000 2.293 185 V HA 0.390 4.520 4.120 0.017 0.000 0.275 185 V C 0.006 176.149 176.094 0.082 0.000 1.021 185 V CA -0.641 61.680 62.300 0.035 0.000 0.815 185 V CB 0.930 32.769 31.823 0.026 0.000 1.025 185 V HN 0.741 nan 8.190 nan 0.000 0.448 186 E N 6.408 126.622 120.200 0.022 0.000 2.259 186 E HA 0.346 4.706 4.350 0.017 0.000 0.281 186 E C -2.137 174.500 176.600 0.061 0.000 1.027 186 E CA -1.654 54.763 56.400 0.028 0.000 0.838 186 E CB 1.105 30.782 29.700 -0.038 0.000 1.066 186 E HN 0.517 nan 8.360 nan 0.000 0.401 187 P HA -0.035 nan 4.420 nan 0.000 0.268 187 P C -1.170 176.158 177.300 0.047 0.000 1.204 187 P CA -0.009 63.150 63.100 0.099 0.000 0.768 187 P CB 0.512 32.318 31.700 0.175 0.000 0.842 188 E N 1.334 121.548 120.200 0.023 0.000 2.167 188 E HA 0.519 4.879 4.350 0.017 0.000 0.284 188 E C -0.626 175.982 176.600 0.013 0.000 1.016 188 E CA -1.093 55.313 56.400 0.009 0.000 0.817 188 E CB 0.879 30.577 29.700 -0.004 0.000 1.080 188 E HN 0.361 nan 8.360 nan 0.000 0.397 189 A N 3.647 126.476 122.820 0.015 0.000 2.798 189 A HA 0.548 4.878 4.320 0.017 0.000 0.316 189 A C 0.215 177.802 177.584 0.005 0.000 1.506 189 A CA -0.384 51.663 52.037 0.016 0.000 1.162 189 A CB -0.250 18.763 19.000 0.021 0.000 1.138 189 A HN 0.783 nan 8.150 nan 0.000 0.532 190 A N 2.245 125.064 122.820 -0.002 0.000 2.409 190 A HA 0.603 4.933 4.320 0.017 0.000 0.262 190 A C -0.501 177.076 177.584 -0.010 0.000 1.113 190 A CA -0.044 51.988 52.037 -0.008 0.000 0.790 190 A CB 0.181 19.172 19.000 -0.015 0.000 1.046 190 A HN 1.117 nan 8.150 nan 0.000 0.496 191 L N 1.906 123.124 121.223 -0.010 0.000 2.493 191 L HA 0.454 4.804 4.340 0.017 0.000 0.265 191 L C -0.533 176.329 176.870 -0.014 0.000 0.954 191 L CA -0.208 54.623 54.840 -0.014 0.000 0.844 191 L CB 2.061 44.116 42.059 -0.006 0.000 1.302 191 L HN 0.689 nan 8.230 nan 0.000 0.405 192 K N 3.604 123.990 120.400 -0.024 0.000 2.419 192 K HA 0.764 5.094 4.320 0.017 0.000 0.244 192 K C -0.929 175.657 176.600 -0.024 0.000 1.045 192 K CA -0.289 55.986 56.287 -0.021 0.000 1.004 192 K CB 1.091 33.574 32.500 -0.027 0.000 1.376 192 K HN 0.766 nan 8.250 nan 0.000 0.460 193 A N 3.463 126.281 122.820 -0.003 0.000 2.294 193 A HA 0.467 4.797 4.320 0.017 0.000 0.330 193 A C -0.578 177.027 177.584 0.035 0.000 1.133 193 A CA -0.647 51.397 52.037 0.011 0.000 0.836 193 A CB 0.691 19.708 19.000 0.028 0.000 1.190 193 A HN 0.693 nan 8.150 nan 0.000 0.492 194 E N 0.330 120.572 120.200 0.069 0.000 2.221 194 E HA 0.512 4.872 4.350 0.017 0.000 0.268 194 E C 0.563 177.226 176.600 0.106 0.000 0.933 194 E CA -0.409 56.048 56.400 0.095 0.000 0.809 194 E CB 1.792 31.578 29.700 0.144 0.000 1.190 194 E HN 0.627 nan 8.360 nan 0.000 0.406 195 A N 2.429 125.298 122.820 0.082 0.000 2.070 195 A HA -0.068 4.262 4.320 0.017 0.000 0.220 195 A C 1.177 178.804 177.584 0.071 0.000 1.159 195 A CA 0.572 52.650 52.037 0.067 0.000 0.656 195 A CB -1.110 17.918 19.000 0.047 0.000 0.800 195 A HN 0.580 nan 8.150 nan 0.000 0.453 196 L N -1.557 119.721 121.223 0.091 0.000 2.535 196 L HA 0.226 4.576 4.340 0.017 0.000 0.301 196 L C -2.197 174.705 176.870 0.053 0.000 1.275 196 L CA -1.152 53.730 54.840 0.069 0.000 0.843 196 L CB -0.813 41.296 42.059 0.084 0.000 1.094 196 L HN 0.073 nan 8.230 nan 0.000 0.532 197 P HA 0.301 nan 4.420 nan 0.000 0.281 197 P C -0.966 176.220 177.300 -0.190 0.000 1.249 197 P CA -0.560 62.492 63.100 -0.080 0.000 0.810 197 P CB 1.113 32.759 31.700 -0.090 0.000 1.008 198 L N 3.982 125.014 121.223 -0.318 0.000 2.283 198 L HA 0.200 4.550 4.340 0.017 0.000 0.287 198 L C -1.146 175.223 176.870 -0.834 0.000 1.073 198 L CA -1.746 52.673 54.840 -0.701 0.000 0.822 198 L CB 0.678 42.246 42.059 -0.819 0.000 1.186 198 L HN 0.236 nan 8.230 nan 0.000 0.436 199 P HA -0.120 nan 4.420 nan 0.000 0.280 199 P C -0.596 176.609 177.300 -0.159 0.000 1.359 199 P CA 0.883 63.748 63.100 -0.391 0.000 0.744 199 P CB -0.556 30.958 31.700 -0.310 0.000 1.236 200 F N -3.518 116.301 119.950 -0.218 0.000 3.122 200 F HA 0.771 5.308 4.527 0.017 0.000 0.325 200 F C -1.508 174.227 175.800 -0.109 0.000 1.162 200 F CA -1.746 56.142 58.000 -0.187 0.000 0.876 200 F CB 0.273 39.158 39.000 -0.193 0.000 1.429 200 F HN -0.124 nan 8.300 nan 0.000 0.484 201 A N 0.584 123.505 122.820 0.168 0.000 2.532 201 A HA 0.893 5.223 4.320 0.017 0.000 0.290 201 A C -2.324 175.442 177.584 0.303 0.000 1.143 201 A CA -0.871 51.275 52.037 0.181 0.000 0.728 201 A CB 1.924 21.070 19.000 0.243 0.000 1.317 201 A HN 1.471 nan 8.150 nan 0.000 0.414 202 L N 0.207 121.581 121.223 0.252 0.000 2.409 202 L HA 0.766 5.116 4.340 0.017 0.000 0.272 202 L C -0.650 176.290 176.870 0.116 0.000 0.980 202 L CA -0.227 54.730 54.840 0.195 0.000 0.826 202 L CB 1.673 43.830 42.059 0.164 0.000 1.268 202 L HN 0.690 nan 8.230 nan 0.000 0.407 203 K N 4.447 124.887 120.400 0.067 0.000 2.502 203 K HA 0.627 4.957 4.320 0.017 0.000 0.254 203 K C -1.775 174.748 176.600 -0.129 0.000 0.947 203 K CA -0.655 55.603 56.287 -0.049 0.000 0.834 203 K CB 1.734 34.146 32.500 -0.147 0.000 1.112 203 K HN 0.522 nan 8.250 nan 0.000 0.427 204 V N 5.475 125.309 119.914 -0.133 0.000 2.270 204 V HA 0.115 4.245 4.120 0.017 0.000 0.263 204 V C 0.664 176.697 176.094 -0.102 0.000 1.066 204 V CA -0.263 61.942 62.300 -0.157 0.000 0.857 204 V CB 0.742 32.484 31.823 -0.135 0.000 1.099 204 V HN 0.925 nan 8.190 nan 0.000 0.476 205 E N 1.753 121.889 120.200 -0.107 0.000 2.208 205 E HA -0.079 4.281 4.350 0.017 0.000 0.193 205 E C 0.526 177.094 176.600 -0.053 0.000 0.988 205 E CA 0.615 56.964 56.400 -0.085 0.000 0.828 205 E CB 0.343 29.984 29.700 -0.098 0.000 0.763 205 E HN 0.591 nan 8.360 nan 0.000 0.478 206 D N -0.031 120.344 120.400 -0.041 0.000 2.434 206 D HA 0.076 4.725 4.640 0.017 0.000 0.275 206 D C -1.900 174.405 176.300 0.009 0.000 1.172 206 D CA -2.138 51.854 54.000 -0.012 0.000 0.916 206 D CB 1.028 41.825 40.800 -0.003 0.000 1.041 206 D HN -0.094 nan 8.370 nan 0.000 0.501 207 P HA -0.097 nan 4.420 nan 0.000 0.226 207 P C 1.116 178.440 177.300 0.040 0.000 1.153 207 P CA 0.447 63.562 63.100 0.025 0.000 0.777 207 P CB 0.690 32.398 31.700 0.014 0.000 0.794 208 E N 0.638 120.858 120.200 0.032 0.000 2.107 208 E HA -0.086 4.274 4.350 0.017 0.000 0.191 208 E C 2.063 178.696 176.600 0.056 0.000 0.982 208 E CA 1.407 57.829 56.400 0.036 0.000 0.809 208 E CB -0.611 29.105 29.700 0.026 0.000 0.756 208 E HN 0.198 nan 8.360 nan 0.000 0.459 209 G N 0.345 109.184 108.800 0.066 0.000 2.453 209 G HA2 0.053 4.023 3.960 0.017 0.000 0.215 209 G HA3 0.053 4.023 3.960 0.017 0.000 0.215 209 G C 0.768 175.781 174.900 0.189 0.000 1.147 209 G CA 0.526 45.686 45.100 0.100 0.000 0.802 209 G HN 0.289 nan 8.290 nan 0.000 0.535 210 A N 0.860 123.782 122.820 0.171 0.000 3.064 210 A HA 0.635 4.965 4.320 0.017 0.000 0.339 210 A C -1.005 176.644 177.584 0.108 0.000 1.078 210 A CA -0.985 51.164 52.037 0.187 0.000 0.869 210 A CB 0.979 20.146 19.000 0.279 0.000 1.067 210 A HN 0.075 nan 8.150 nan 0.000 0.480 211 P HA -0.178 nan 4.420 nan 0.000 0.217 211 P C 0.198 177.580 177.300 0.138 0.000 1.151 211 P CA 1.705 64.855 63.100 0.082 0.000 0.849 211 P CB 0.069 31.808 31.700 0.064 0.000 0.787 212 H N -1.957 117.113 119.070 0.000 0.000 2.782 212 H HA 0.588 5.154 4.556 0.016 0.000 0.347 212 H C -1.886 173.456 175.328 0.023 0.000 1.038 212 H CA -1.449 54.608 56.048 0.015 0.000 1.255 212 H CB 0.597 30.352 29.762 -0.012 0.000 1.623 212 H HN -0.205 nan 8.280 nan 0.000 0.525 213 F N 3.679 123.566 119.950 -0.104 0.000 2.588 213 F HA 0.476 5.013 4.527 0.016 0.000 0.318 213 F C -1.083 174.634 175.800 -0.139 0.000 1.155 213 F CA -0.235 57.656 58.000 -0.182 0.000 0.967 213 F CB 1.846 40.798 39.000 -0.081 0.000 1.236 213 F HN 0.590 nan 8.300 nan 0.000 0.455 214 T N 4.455 118.846 114.554 -0.271 0.000 2.906 214 T HA 0.818 5.178 4.350 0.017 0.000 0.295 214 T C -1.471 173.241 174.700 0.021 0.000 1.061 214 T CA -0.814 61.266 62.100 -0.033 0.000 1.000 214 T CB 1.851 70.645 68.868 -0.122 0.000 1.103 214 T HN 0.620 nan 8.240 nan 0.000 0.486 215 L N 1.451 122.797 121.223 0.206 0.000 2.386 215 L HA 0.771 5.121 4.340 0.017 0.000 0.271 215 L C 0.475 177.515 176.870 0.284 0.000 0.993 215 L CA -1.019 53.995 54.840 0.290 0.000 0.819 215 L CB 2.246 44.590 42.059 0.475 0.000 1.294 215 L HN 1.053 nan 8.230 nan 0.000 0.414 216 G N 0.699 109.669 108.800 0.282 0.000 2.473 216 G HA2 0.517 4.487 3.960 0.017 0.000 0.321 216 G HA3 0.517 4.487 3.960 0.017 0.000 0.321 216 G C -2.265 172.909 174.900 0.458 0.000 1.200 216 G CA -0.264 45.009 45.100 0.289 0.000 0.963 216 G HN 0.389 nan 8.290 nan 0.000 0.483 217 Y N 0.850 121.323 120.300 0.288 0.000 2.326 217 Y HA 0.679 5.239 4.550 0.016 0.000 0.329 217 Y C -0.394 175.689 175.900 0.305 0.000 0.973 217 Y CA -1.761 56.559 58.100 0.368 0.000 1.162 217 Y CB 1.403 40.101 38.460 0.397 0.000 1.147 217 Y HN 0.758 nan 8.280 nan 0.000 0.456 218 A N 7.393 130.194 122.820 -0.031 0.000 2.343 218 A HA 0.798 5.128 4.320 0.017 0.000 0.308 218 A C -1.632 175.857 177.584 -0.159 0.000 1.092 218 A CA -0.475 51.435 52.037 -0.211 0.000 0.751 218 A CB 0.408 19.350 19.000 -0.097 0.000 1.203 218 A HN 0.734 nan 8.150 nan 0.000 0.452 219 F N -0.467 119.256 119.950 -0.378 0.000 2.691 219 F HA 0.824 5.361 4.527 0.017 0.000 0.334 219 F C 0.938 176.676 175.800 -0.102 0.000 1.107 219 F CA -1.039 56.846 58.000 -0.191 0.000 0.991 219 F CB 0.712 39.602 39.000 -0.184 0.000 1.400 219 F HN 1.386 nan 8.300 nan 0.000 0.503 220 G N 0.911 109.787 108.800 0.126 0.000 2.249 220 G HA2 -0.244 3.726 3.960 0.017 0.000 0.273 220 G HA3 -0.244 3.726 3.960 0.017 0.000 0.273 220 G C -0.460 174.412 174.900 -0.046 0.000 1.036 220 G CA 0.143 45.256 45.100 0.022 0.000 0.824 220 G HN 0.725 nan 8.290 nan 0.000 0.504 221 L N 0.298 121.510 121.223 -0.018 0.000 2.410 221 L HA 0.337 4.686 4.340 0.017 0.000 0.273 221 L C 1.048 177.909 176.870 -0.016 0.000 1.152 221 L CA -0.272 54.549 54.840 -0.032 0.000 0.855 221 L CB 0.540 42.591 42.059 -0.014 0.000 1.129 221 L HN 0.153 nan 8.230 nan 0.000 0.463 222 R N 3.834 124.316 120.500 -0.030 0.000 2.471 222 R HA 0.308 4.658 4.340 0.017 0.000 0.292 222 R C -0.865 175.419 176.300 -0.026 0.000 1.192 222 R CA -0.618 55.470 56.100 -0.020 0.000 1.257 222 R CB 0.731 31.018 30.300 -0.022 0.000 1.130 222 R HN 0.313 nan 8.270 nan 0.000 0.558 223 V N 2.489 122.392 119.914 -0.020 0.000 2.521 223 V HA 0.377 4.507 4.120 0.017 0.000 0.286 223 V C 0.588 176.667 176.094 -0.025 0.000 1.034 223 V CA 0.277 62.561 62.300 -0.028 0.000 1.045 223 V CB 0.824 32.635 31.823 -0.021 0.000 0.974 223 V HN 0.882 nan 8.190 nan 0.000 0.480 224 A N 7.177 129.976 122.820 -0.035 0.000 2.568 224 A HA 0.910 5.240 4.320 0.017 0.000 0.291 224 A C -3.113 174.452 177.584 -0.033 0.000 1.159 224 A CA -1.593 50.430 52.037 -0.024 0.000 0.679 224 A CB 1.570 20.562 19.000 -0.013 0.000 1.285 224 A HN 0.559 nan 8.150 nan 0.000 0.428 225 P HA 0.237 nan 4.420 nan 0.000 0.269 225 P C -0.105 177.169 177.300 -0.043 0.000 1.209 225 P CA 0.243 63.342 63.100 -0.002 0.000 0.776 225 P CB 0.560 32.301 31.700 0.068 0.000 0.876 226 S N 3.563 119.206 115.700 -0.095 0.000 2.576 226 S HA 0.243 4.722 4.470 0.017 0.000 0.276 226 S C -1.973 172.482 174.600 -0.242 0.000 1.339 226 S CA -0.847 57.224 58.200 -0.216 0.000 1.039 226 S CB -0.423 62.593 63.200 -0.306 0.000 0.902 226 S HN 0.399 nan 8.310 nan 0.000 0.516 227 P HA 0.062 nan 4.420 nan 0.000 0.270 227 P C 0.913 177.904 177.300 -0.515 0.000 1.223 227 P CA -0.181 62.693 63.100 -0.377 0.000 0.785 227 P CB 0.442 31.917 31.700 -0.375 0.000 0.923 228 L N 1.088 122.104 121.223 -0.344 0.000 1.997 228 L HA -0.201 4.149 4.340 0.017 0.000 0.216 228 L C 2.742 179.319 176.870 -0.488 0.000 1.074 228 L CA 2.032 56.654 54.840 -0.363 0.000 0.763 228 L CB -1.110 40.772 42.059 -0.296 0.000 0.890 228 L HN 0.602 nan 8.230 nan 0.000 0.434 229 W N 0.143 121.214 121.300 -0.381 0.000 2.331 229 W HA -0.302 4.368 4.660 0.016 0.000 0.291 229 W C 2.186 178.439 176.519 -0.443 0.000 1.214 229 W CA 1.430 58.526 57.345 -0.415 0.000 1.228 229 W CB -0.948 28.309 29.460 -0.338 0.000 1.135 229 W HN 0.274 nan 8.180 nan 0.000 0.537 230 M N 1.526 120.340 119.600 -1.309 0.000 2.160 230 M HA -0.152 4.338 4.480 0.017 0.000 0.264 230 M C 2.600 178.523 176.300 -0.629 0.000 1.073 230 M CA 1.893 56.467 55.300 -1.210 0.000 1.142 230 M CB -0.432 31.215 32.600 -1.588 0.000 1.358 230 M HN -0.072 nan 8.290 nan 0.000 0.422 231 Q N -0.081 119.408 119.800 -0.518 0.000 2.096 231 Q HA -0.235 4.115 4.340 0.017 0.000 0.204 231 Q C 2.251 178.135 176.000 -0.193 0.000 0.982 231 Q CA 1.801 57.451 55.803 -0.256 0.000 0.850 231 Q CB -0.394 28.380 28.738 0.060 0.000 0.901 231 Q HN 0.576 nan 8.270 nan 0.000 0.422 232 R N 0.424 120.572 120.500 -0.587 0.000 2.082 232 R HA -0.177 4.173 4.340 0.017 0.000 0.234 232 R C 2.277 178.527 176.300 -0.083 0.000 1.136 232 R CA 1.449 57.102 56.100 -0.745 0.000 0.935 232 R CB -0.341 29.331 30.300 -1.046 0.000 0.842 232 R HN 0.255 nan 8.270 nan 0.000 0.430 233 A N 0.859 123.586 122.820 -0.155 0.000 1.908 233 A HA -0.167 4.163 4.320 0.017 0.000 0.218 233 A C 2.225 179.868 177.584 0.098 0.000 1.181 233 A CA 1.365 53.356 52.037 -0.078 0.000 0.627 233 A CB -0.549 18.129 19.000 -0.537 0.000 0.818 233 A HN 0.346 nan 8.150 nan 0.000 0.445 234 L N -2.414 118.805 121.223 -0.007 0.000 2.044 234 L HA -0.102 4.247 4.340 0.017 0.000 0.205 234 L C 2.465 179.450 176.870 0.192 0.000 1.075 234 L CA 1.048 55.937 54.840 0.082 0.000 0.747 234 L CB -0.508 41.486 42.059 -0.108 0.000 0.903 234 L HN 0.334 nan 8.230 nan 0.000 0.435 235 F N 0.398 120.475 119.950 0.211 0.000 2.126 235 F HA -0.257 4.280 4.527 0.016 0.000 0.299 235 F C 2.587 178.652 175.800 0.442 0.000 1.096 235 F CA 1.191 59.383 58.000 0.321 0.000 1.255 235 F CB -0.940 38.282 39.000 0.370 0.000 0.997 235 F HN 0.030 nan 8.300 nan 0.000 0.479 236 A N -0.286 122.972 122.820 0.730 0.000 1.908 236 A HA -0.072 4.258 4.320 0.017 0.000 0.218 236 A C 2.261 180.056 177.584 0.351 0.000 1.181 236 A CA 1.744 54.099 52.037 0.530 0.000 0.627 236 A CB -1.273 18.006 19.000 0.466 0.000 0.818 236 A HN 0.279 nan 8.150 nan 0.000 0.445 237 A N -1.893 121.153 122.820 0.377 0.000 2.235 237 A HA 0.410 4.739 4.320 0.017 0.000 0.208 237 A C 1.716 179.418 177.584 0.197 0.000 1.172 237 A CA 1.183 53.381 52.037 0.269 0.000 0.786 237 A CB -1.024 18.183 19.000 0.345 0.000 0.804 237 A HN 1.950 nan 8.150 nan 0.000 0.479 238 G N -2.097 106.849 108.800 0.243 0.000 2.141 238 G HA2 -0.244 3.726 3.960 0.017 0.000 0.242 238 G HA3 -0.244 3.726 3.960 0.017 0.000 0.242 238 G C 0.030 175.030 174.900 0.167 0.000 0.982 238 G CA 0.511 45.730 45.100 0.200 0.000 0.662 238 G HN 0.471 nan 8.290 nan 0.000 0.527 239 M N -0.451 119.241 119.600 0.153 0.000 2.644 239 M HA 0.659 5.149 4.480 0.017 0.000 0.316 239 M C 0.348 176.612 176.300 -0.060 0.000 1.200 239 M CA -1.009 54.324 55.300 0.054 0.000 0.944 239 M CB 1.517 34.140 32.600 0.039 0.000 1.691 239 M HN 0.177 nan 8.290 nan 0.000 0.471 240 R N 2.776 123.196 120.500 -0.133 0.000 2.295 240 R HA 0.516 4.866 4.340 0.017 0.000 0.324 240 R C -2.613 173.458 176.300 -0.381 0.000 0.968 240 R CA -1.611 54.297 56.100 -0.320 0.000 0.837 240 R CB 1.007 31.235 30.300 -0.120 0.000 1.133 240 R HN 0.284 nan 8.270 nan 0.000 0.450 241 P HA -0.019 nan 4.420 nan 0.000 0.264 241 P C -0.082 177.089 177.300 -0.216 0.000 1.193 241 P CA -0.093 62.789 63.100 -0.363 0.000 0.763 241 P CB 0.635 32.111 31.700 -0.373 0.000 0.810 242 I N 1.534 122.003 120.570 -0.169 0.000 3.393 242 I HA 0.157 4.337 4.170 0.017 0.000 0.250 242 I C 0.944 177.002 176.117 -0.098 0.000 1.122 242 I CA 1.089 62.313 61.300 -0.126 0.000 1.484 242 I CB -0.659 37.266 38.000 -0.125 0.000 1.468 242 I HN 0.497 nan 8.210 nan 0.000 0.461 243 N N 0.639 119.273 118.700 -0.110 0.000 2.859 243 N HA 0.031 4.780 4.740 0.017 0.000 0.250 243 N C -0.142 175.295 175.510 -0.123 0.000 1.341 243 N CA -0.326 52.667 53.050 -0.096 0.000 0.881 243 N CB 1.277 39.719 38.487 -0.075 0.000 1.516 243 N HN -0.074 nan 8.380 nan 0.000 0.503 244 N N 0.711 119.338 118.700 -0.121 0.000 2.069 244 N HA -0.222 4.528 4.740 0.017 0.000 0.196 244 N C 1.358 176.782 175.510 -0.143 0.000 1.024 244 N CA 1.882 54.842 53.050 -0.151 0.000 0.869 244 N CB -0.958 37.452 38.487 -0.128 0.000 1.035 244 N HN 0.366 nan 8.380 nan 0.000 0.434 245 V N 0.607 120.452 119.914 -0.115 0.000 2.261 245 V HA -0.171 3.959 4.120 0.017 0.000 0.246 245 V C 2.674 178.691 176.094 -0.128 0.000 1.047 245 V CA 1.558 63.792 62.300 -0.110 0.000 1.015 245 V CB -0.574 31.192 31.823 -0.094 0.000 0.642 245 V HN 0.227 nan 8.190 nan 0.000 0.446 246 V N 0.295 120.125 119.914 -0.139 0.000 2.287 246 V HA -0.280 3.850 4.120 0.017 0.000 0.248 246 V C 2.306 178.323 176.094 -0.128 0.000 1.053 246 V CA 2.259 64.466 62.300 -0.155 0.000 1.027 246 V CB -0.859 30.875 31.823 -0.148 0.000 0.646 246 V HN 0.546 nan 8.190 nan 0.000 0.447 247 D N 0.100 120.417 120.400 -0.138 0.000 2.172 247 D HA -0.163 4.487 4.640 0.017 0.000 0.196 247 D C 2.124 178.362 176.300 -0.102 0.000 0.999 247 D CA 1.375 55.288 54.000 -0.146 0.000 0.856 247 D CB -0.463 40.207 40.800 -0.218 0.000 0.934 247 D HN 0.331 nan 8.370 nan 0.000 0.453 248 V N 1.023 120.870 119.914 -0.112 0.000 2.343 248 V HA -0.245 3.885 4.120 0.017 0.000 0.247 248 V C 2.773 178.881 176.094 0.023 0.000 1.051 248 V CA 2.173 64.441 62.300 -0.053 0.000 1.036 248 V CB -0.946 30.835 31.823 -0.070 0.000 0.654 248 V HN 0.426 nan 8.190 nan 0.000 0.451 249 T N -1.433 113.105 114.554 -0.027 0.000 2.788 249 T HA -0.200 4.160 4.350 0.017 0.000 0.268 249 T C 1.740 176.456 174.700 0.027 0.000 1.044 249 T CA 1.768 63.859 62.100 -0.016 0.000 1.139 249 T CB -0.429 68.389 68.868 -0.083 0.000 0.867 249 T HN 0.408 nan 8.240 nan 0.000 0.454 250 N N 0.237 118.955 118.700 0.030 0.000 2.171 250 N HA 0.009 4.759 4.740 0.017 0.000 0.184 250 N C 1.496 177.101 175.510 0.160 0.000 1.021 250 N CA 1.114 54.202 53.050 0.063 0.000 0.854 250 N CB -0.745 37.761 38.487 0.031 0.000 0.994 250 N HN 0.527 nan 8.380 nan 0.000 0.426 251 Y N 1.915 122.243 120.300 0.047 0.000 2.097 251 Y HA -0.210 4.350 4.550 0.017 0.000 0.282 251 Y C 2.205 178.242 175.900 0.228 0.000 1.152 251 Y CA 1.431 59.624 58.100 0.156 0.000 1.136 251 Y CB -0.386 38.083 38.460 0.014 0.000 0.975 251 Y HN -0.183 nan 8.280 nan 0.000 0.498 252 V N 0.739 120.818 119.914 0.274 0.000 2.626 252 V HA -0.345 3.785 4.120 0.017 0.000 0.252 252 V C 2.426 178.539 176.094 0.032 0.000 1.067 252 V CA 2.004 64.393 62.300 0.147 0.000 1.081 252 V CB -0.734 31.164 31.823 0.126 0.000 0.686 252 V HN 0.583 nan 8.190 nan 0.000 0.468 253 M N -0.554 119.061 119.600 0.025 0.000 2.229 253 M HA -0.108 4.382 4.480 0.017 0.000 0.264 253 M C 1.917 178.171 176.300 -0.077 0.000 1.063 253 M CA 1.867 57.145 55.300 -0.036 0.000 1.114 253 M CB -0.033 32.553 32.600 -0.023 0.000 1.387 253 M HN 0.298 nan 8.290 nan 0.000 0.420 254 L N -0.462 120.728 121.223 -0.054 0.000 2.209 254 L HA -0.074 4.276 4.340 0.017 0.000 0.207 254 L C 2.385 179.076 176.870 -0.299 0.000 1.094 254 L CA 0.874 55.618 54.840 -0.160 0.000 0.790 254 L CB -0.651 41.355 42.059 -0.089 0.000 0.932 254 L HN 0.415 nan 8.230 nan 0.000 0.447 255 E N 1.372 121.449 120.200 -0.206 0.000 2.015 255 E HA -0.120 4.239 4.350 0.017 0.000 0.191 255 E C 0.657 177.074 176.600 -0.305 0.000 0.991 255 E CA 0.679 56.923 56.400 -0.259 0.000 0.802 255 E CB 0.293 29.952 29.700 -0.068 0.000 0.759 255 E HN 0.368 nan 8.360 nan 0.000 0.447 256 R N -0.438 119.939 120.500 -0.205 0.000 2.720 256 R HA 0.599 4.949 4.340 0.017 0.000 0.272 256 R C -0.671 175.522 176.300 -0.177 0.000 0.991 256 R CA -0.193 55.787 56.100 -0.201 0.000 1.010 256 R CB 1.321 31.535 30.300 -0.144 0.000 1.141 256 R HN 0.060 nan 8.270 nan 0.000 0.494 257 A N 2.018 124.735 122.820 -0.172 0.000 3.091 257 A HA 0.064 4.394 4.320 0.017 0.000 0.264 257 A C -0.254 177.219 177.584 -0.186 0.000 1.673 257 A CA -0.084 51.850 52.037 -0.172 0.000 1.362 257 A CB -0.380 18.528 19.000 -0.154 0.000 1.137 257 A HN 0.546 nan 8.150 nan 0.000 0.617 258 Q N 1.720 121.418 119.800 -0.171 0.000 2.695 258 Q HA 0.400 4.749 4.340 0.017 0.000 0.246 258 Q C -2.980 172.933 176.000 -0.145 0.000 0.961 258 Q CA -2.106 53.599 55.803 -0.164 0.000 0.708 258 Q CB 2.009 30.695 28.738 -0.088 0.000 1.282 258 Q HN 0.318 nan 8.270 nan 0.000 0.482 259 P HA 0.295 nan 4.420 nan 0.000 0.272 259 P C -0.728 176.611 177.300 0.066 0.000 1.223 259 P CA -0.102 62.942 63.100 -0.093 0.000 0.784 259 P CB 0.602 32.209 31.700 -0.155 0.000 0.923 260 M N -0.398 119.256 119.600 0.090 0.000 2.534 260 M HA 0.494 4.984 4.480 0.017 0.000 0.280 260 M C -1.684 174.671 176.300 0.092 0.000 1.217 260 M CA -0.687 54.672 55.300 0.099 0.000 0.893 260 M CB 2.835 35.454 32.600 0.032 0.000 1.730 260 M HN 0.266 nan 8.290 nan 0.000 0.483 261 H N 1.192 120.242 119.070 -0.033 0.000 2.667 261 H HA 0.752 5.318 4.556 0.017 0.000 0.353 261 H C -1.786 173.389 175.328 -0.254 0.000 1.072 261 H CA -0.332 55.596 56.048 -0.200 0.000 1.214 261 H CB 2.269 31.820 29.762 -0.352 0.000 1.600 261 H HN 1.008 nan 8.280 nan 0.000 0.527 262 A N 5.484 127.874 122.820 -0.716 0.000 2.252 262 A HA 0.457 4.787 4.320 0.017 0.000 0.309 262 A C -1.212 176.130 177.584 -0.404 0.000 1.285 262 A CA -0.406 51.405 52.037 -0.376 0.000 0.900 262 A CB -0.333 18.509 19.000 -0.265 0.000 1.157 262 A HN 0.444 nan 8.150 nan 0.000 0.536 263 F N 1.586 121.550 119.950 0.024 0.000 2.415 263 F HA 0.257 4.794 4.527 0.016 0.000 0.348 263 F C 0.609 176.442 175.800 0.054 0.000 1.119 263 F CA -0.533 57.511 58.000 0.074 0.000 1.069 263 F CB 1.470 40.529 39.000 0.098 0.000 1.124 263 F HN 0.573 nan 8.300 nan 0.000 0.472 264 D N 3.680 124.244 120.400 0.273 0.000 2.401 264 D HA 0.027 4.677 4.640 0.017 0.000 0.254 264 D C 1.191 177.680 176.300 0.315 0.000 1.192 264 D CA 0.432 54.594 54.000 0.271 0.000 0.885 264 D CB 0.908 41.905 40.800 0.327 0.000 1.147 264 D HN 0.584 nan 8.370 nan 0.000 0.478 265 L N 4.024 125.370 121.223 0.205 0.000 2.127 265 L HA -0.193 4.157 4.340 0.017 0.000 0.211 265 L C 2.451 179.386 176.870 0.108 0.000 1.089 265 L CA 0.909 55.821 54.840 0.121 0.000 0.757 265 L CB -0.144 41.986 42.059 0.119 0.000 0.899 265 L HN 0.427 nan 8.230 nan 0.000 0.434 266 R N -0.612 119.952 120.500 0.107 0.000 2.154 266 R HA -0.211 4.138 4.340 0.017 0.000 0.248 266 R C 1.621 177.750 176.300 -0.286 0.000 1.155 266 R CA 1.626 57.645 56.100 -0.135 0.000 0.979 266 R CB -0.290 29.827 30.300 -0.305 0.000 0.869 266 R HN 0.292 nan 8.270 nan 0.000 0.452 267 F N -1.643 118.335 119.950 0.046 0.000 2.695 267 F HA 0.116 4.653 4.527 0.017 0.000 0.303 267 F C 1.782 177.676 175.800 0.156 0.000 1.091 267 F CA -0.190 57.852 58.000 0.070 0.000 1.300 267 F CB 0.195 39.256 39.000 0.102 0.000 1.071 267 F HN -0.252 nan 8.300 nan 0.000 0.578 268 V N -0.165 119.873 119.914 0.208 0.000 2.379 268 V HA 0.156 4.286 4.120 0.017 0.000 0.245 268 V C 1.957 178.065 176.094 0.023 0.000 1.044 268 V CA 1.324 63.652 62.300 0.047 0.000 1.036 268 V CB -1.107 30.628 31.823 -0.146 0.000 0.664 268 V HN 0.534 nan 8.190 nan 0.000 0.453 269 G N 0.243 109.039 108.800 -0.007 0.000 2.527 269 G HA2 -0.294 3.676 3.960 0.017 0.000 0.262 269 G HA3 -0.294 3.676 3.960 0.017 0.000 0.262 269 G C 0.631 175.383 174.900 -0.246 0.000 1.153 269 G CA 0.347 45.407 45.100 -0.067 0.000 0.954 269 G HN 0.354 nan 8.290 nan 0.000 0.552 270 E N 1.223 121.119 120.200 -0.508 0.000 2.216 270 E HA 0.347 4.706 4.350 0.017 0.000 0.192 270 E C 1.235 177.342 176.600 -0.820 0.000 0.988 270 E CA 0.851 56.875 56.400 -0.627 0.000 0.834 270 E CB 0.165 29.455 29.700 -0.684 0.000 0.772 270 E HN 1.264 nan 8.360 nan 0.000 0.479 271 G N 0.204 108.264 108.800 -1.233 0.000 2.320 271 G HA2 0.292 4.262 3.960 0.017 0.000 0.296 271 G HA3 0.292 4.262 3.960 0.017 0.000 0.296 271 G C -1.617 172.920 174.900 -0.605 0.000 1.306 271 G CA -0.932 43.663 45.100 -0.842 0.000 0.836 271 G HN -0.071 nan 8.290 nan 0.000 0.517 272 I N 1.109 121.604 120.570 -0.125 0.000 2.353 272 I HA 0.647 4.827 4.170 0.017 0.000 0.293 272 I C 0.506 176.720 176.117 0.163 0.000 0.992 272 I CA -0.707 60.568 61.300 -0.043 0.000 1.268 272 I CB 1.001 38.966 38.000 -0.058 0.000 1.387 272 I HN 0.807 nan 8.210 nan 0.000 0.478 273 A N 6.790 129.657 122.820 0.079 0.000 2.343 273 A HA 0.672 5.002 4.320 0.017 0.000 0.308 273 A C -0.739 176.776 177.584 -0.116 0.000 1.092 273 A CA -0.516 51.528 52.037 0.012 0.000 0.751 273 A CB 1.246 20.263 19.000 0.028 0.000 1.203 273 A HN 0.396 nan 8.150 nan 0.000 0.452 274 V N 3.866 123.665 119.914 -0.192 0.000 2.348 274 V HA 0.654 4.784 4.120 0.017 0.000 0.270 274 V C 0.282 176.312 176.094 -0.106 0.000 1.037 274 V CA -0.223 61.973 62.300 -0.174 0.000 0.872 274 V CB -0.019 31.624 31.823 -0.299 0.000 1.002 274 V HN 1.081 nan 8.190 nan 0.000 0.464 275 R N 3.558 124.015 120.500 -0.072 0.000 2.752 275 R HA 0.680 5.030 4.340 0.017 0.000 0.271 275 R C -0.862 175.415 176.300 -0.039 0.000 1.026 275 R CA -1.204 54.861 56.100 -0.057 0.000 0.901 275 R CB 1.345 31.603 30.300 -0.070 0.000 1.243 275 R HN 0.299 nan 8.270 nan 0.000 0.463 276 R N 0.443 120.928 120.500 -0.024 0.000 2.774 276 R HA 0.366 4.716 4.340 0.017 0.000 0.269 276 R C 0.013 176.310 176.300 -0.004 0.000 1.068 276 R CA 0.130 56.226 56.100 -0.006 0.000 1.180 276 R CB 0.589 30.895 30.300 0.010 0.000 1.077 276 R HN 0.775 nan 8.270 nan 0.000 0.513 277 A N 2.255 125.085 122.820 0.017 0.000 2.371 277 A HA 0.303 4.633 4.320 0.017 0.000 0.257 277 A C 0.195 177.794 177.584 0.026 0.000 1.089 277 A CA -0.312 51.739 52.037 0.024 0.000 0.794 277 A CB 0.403 19.432 19.000 0.048 0.000 1.029 277 A HN 0.550 nan 8.150 nan 0.000 0.488 278 R N 0.591 121.102 120.500 0.019 0.000 2.410 278 R HA 0.226 4.576 4.340 0.017 0.000 0.288 278 R C -0.218 176.091 176.300 0.014 0.000 1.051 278 R CA -0.554 55.553 56.100 0.011 0.000 1.021 278 R CB 0.656 30.962 30.300 0.010 0.000 1.032 278 R HN 0.820 nan 8.270 nan 0.000 0.481 279 E N 1.084 121.282 120.200 -0.003 0.000 2.652 279 E HA -0.064 4.296 4.350 0.017 0.000 0.255 279 E C 0.563 177.164 176.600 0.002 0.000 0.952 279 E CA 1.549 57.940 56.400 -0.015 0.000 0.947 279 E CB 0.101 29.779 29.700 -0.036 0.000 0.912 279 E HN 0.735 nan 8.360 nan 0.000 0.489 280 G N 3.601 112.407 108.800 0.010 0.000 2.198 280 G HA2 -0.369 3.601 3.960 0.017 0.000 0.260 280 G HA3 -0.369 3.601 3.960 0.017 0.000 0.260 280 G C 0.163 175.083 174.900 0.033 0.000 1.025 280 G CA 0.434 45.546 45.100 0.020 0.000 0.769 280 G HN 0.611 nan 8.290 nan 0.000 0.507 281 E N -0.115 120.111 120.200 0.043 0.000 2.366 281 E HA 0.502 4.862 4.350 0.017 0.000 0.266 281 E C 0.883 177.518 176.600 0.058 0.000 1.051 281 E CA -0.516 55.914 56.400 0.050 0.000 0.884 281 E CB 0.439 30.169 29.700 0.050 0.000 1.006 281 E HN 0.331 nan 8.360 nan 0.000 0.417 282 R N 3.219 123.755 120.500 0.060 0.000 2.604 282 R HA 0.565 4.915 4.340 0.017 0.000 0.287 282 R C -0.876 175.462 176.300 0.062 0.000 0.970 282 R CA -0.877 55.258 56.100 0.059 0.000 0.946 282 R CB 1.278 31.609 30.300 0.051 0.000 1.127 282 R HN 0.519 nan 8.270 nan 0.000 0.473 283 L N 2.005 123.261 121.223 0.056 0.000 2.562 283 L HA 0.280 4.630 4.340 0.017 0.000 0.266 283 L C -0.953 175.940 176.870 0.038 0.000 0.949 283 L CA -0.610 54.258 54.840 0.048 0.000 0.879 283 L CB 2.032 44.111 42.059 0.035 0.000 1.278 283 L HN 0.405 nan 8.230 nan 0.000 0.404 284 K N 3.598 124.017 120.400 0.033 0.000 2.250 284 K HA 0.203 4.533 4.320 0.017 0.000 0.280 284 K C -0.185 176.421 176.600 0.010 0.000 1.098 284 K CA -0.088 56.213 56.287 0.023 0.000 0.916 284 K CB 0.981 33.493 32.500 0.021 0.000 1.209 284 K HN 0.712 nan 8.250 nan 0.000 0.461 285 T N 2.717 117.274 114.554 0.006 0.000 2.860 285 T HA 0.011 4.371 4.350 0.017 0.000 0.299 285 T C 1.688 176.381 174.700 -0.013 0.000 1.045 285 T CA -0.696 61.397 62.100 -0.011 0.000 1.071 285 T CB 0.495 69.351 68.868 -0.019 0.000 0.985 285 T HN 0.479 nan 8.240 nan 0.000 0.537 286 L N 2.667 123.876 121.223 -0.025 0.000 2.085 286 L HA -0.160 4.190 4.340 0.017 0.000 0.218 286 L C 2.102 178.961 176.870 -0.017 0.000 1.080 286 L CA 2.483 57.309 54.840 -0.022 0.000 0.776 286 L CB -1.277 40.768 42.059 -0.023 0.000 0.891 286 L HN 0.933 nan 8.230 nan 0.000 0.437 287 D N -1.775 118.618 120.400 -0.012 0.000 2.378 287 D HA 0.088 4.738 4.640 0.017 0.000 0.227 287 D C 1.627 177.928 176.300 0.001 0.000 1.012 287 D CA 0.858 54.854 54.000 -0.006 0.000 0.905 287 D CB -0.525 40.276 40.800 0.001 0.000 0.895 287 D HN 0.433 nan 8.370 nan 0.000 0.532 288 G N -0.924 107.877 108.800 0.001 0.000 2.176 288 G HA2 -0.247 3.723 3.960 0.017 0.000 0.253 288 G HA3 -0.247 3.723 3.960 0.017 0.000 0.253 288 G C 0.103 175.011 174.900 0.013 0.000 0.979 288 G CA 0.145 45.249 45.100 0.007 0.000 0.641 288 G HN 0.393 nan 8.290 nan 0.000 0.530 289 V N 0.617 120.540 119.914 0.015 0.000 2.509 289 V HA 0.571 4.701 4.120 0.017 0.000 0.284 289 V C 0.503 176.613 176.094 0.028 0.000 1.047 289 V CA -0.443 61.871 62.300 0.024 0.000 0.952 289 V CB 1.737 33.578 31.823 0.029 0.000 0.988 289 V HN 0.386 nan 8.190 nan 0.000 0.469 290 E N 4.695 124.913 120.200 0.031 0.000 2.200 290 E HA 0.497 4.857 4.350 0.017 0.000 0.283 290 E C -0.387 176.243 176.600 0.049 0.000 1.015 290 E CA -0.345 56.077 56.400 0.036 0.000 0.819 290 E CB 0.673 30.392 29.700 0.031 0.000 1.081 290 E HN 0.601 nan 8.360 nan 0.000 0.397 291 R N 2.417 122.954 120.500 0.062 0.000 2.854 291 R HA 0.591 4.941 4.340 0.017 0.000 0.271 291 R C -0.856 175.502 176.300 0.097 0.000 0.994 291 R CA -1.021 55.136 56.100 0.096 0.000 0.945 291 R CB 1.911 32.302 30.300 0.152 0.000 1.194 291 R HN 0.398 nan 8.270 nan 0.000 0.476 292 T N 2.250 116.870 114.554 0.111 0.000 2.779 292 T HA 0.354 4.714 4.350 0.017 0.000 0.280 292 T C -0.267 174.529 174.700 0.161 0.000 0.987 292 T CA -0.787 61.371 62.100 0.097 0.000 0.966 292 T CB 0.933 69.833 68.868 0.053 0.000 0.933 292 T HN 0.056 nan 8.240 nan 0.000 0.442 293 L N 2.560 123.874 121.223 0.153 0.000 2.439 293 L HA 0.453 4.803 4.340 0.017 0.000 0.261 293 L C 0.439 177.422 176.870 0.188 0.000 1.153 293 L CA -0.550 54.413 54.840 0.205 0.000 0.808 293 L CB 0.069 42.205 42.059 0.128 0.000 1.126 293 L HN 0.750 nan 8.230 nan 0.000 0.460 294 H N 1.897 121.028 119.070 0.100 0.000 2.499 294 H HA 0.350 4.916 4.556 0.016 0.000 0.340 294 H C -1.931 173.422 175.328 0.040 0.000 1.148 294 H CA -1.848 54.231 56.048 0.052 0.000 1.215 294 H CB 2.105 31.899 29.762 0.054 0.000 1.529 294 H HN 0.364 nan 8.280 nan 0.000 0.510 295 P HA -0.125 nan 4.420 nan 0.000 0.228 295 P C 1.022 178.463 177.300 0.235 0.000 1.151 295 P CA 0.815 63.995 63.100 0.132 0.000 0.770 295 P CB 0.311 32.003 31.700 -0.013 0.000 0.786 296 E N 0.032 120.557 120.200 0.542 0.000 2.230 296 E HA -0.064 4.296 4.350 0.017 0.000 0.192 296 E C -0.113 176.517 176.600 0.051 0.000 0.987 296 E CA 0.453 56.973 56.400 0.201 0.000 0.841 296 E CB -0.372 29.352 29.700 0.040 0.000 0.783 296 E HN 0.192 nan 8.360 nan 0.000 0.481 297 D N 1.410 121.845 120.400 0.058 0.000 2.451 297 D HA -0.021 4.629 4.640 0.017 0.000 0.254 297 D C 0.083 176.364 176.300 -0.031 0.000 1.204 297 D CA 0.294 54.287 54.000 -0.013 0.000 0.896 297 D CB 0.353 41.166 40.800 0.020 0.000 1.136 297 D HN 0.134 nan 8.370 nan 0.000 0.499 298 L N 2.992 124.167 121.223 -0.079 0.000 2.380 298 L HA 0.367 4.717 4.340 0.017 0.000 0.273 298 L C -0.228 176.566 176.870 -0.126 0.000 1.138 298 L CA -0.161 54.627 54.840 -0.088 0.000 0.832 298 L CB 1.201 43.197 42.059 -0.105 0.000 1.124 298 L HN 0.107 nan 8.230 nan 0.000 0.454 299 V N 5.418 125.280 119.914 -0.088 0.000 3.078 299 V HA 0.463 4.593 4.120 0.017 0.000 0.311 299 V C -0.939 175.119 176.094 -0.059 0.000 1.138 299 V CA -0.688 61.561 62.300 -0.084 0.000 1.007 299 V CB 2.532 34.320 31.823 -0.057 0.000 1.045 299 V HN 0.599 nan 8.190 nan 0.000 0.432 300 I N 4.547 125.090 120.570 -0.045 0.000 2.328 300 I HA 0.766 4.946 4.170 0.017 0.000 0.287 300 I C 0.427 176.454 176.117 -0.150 0.000 1.012 300 I CA 0.440 61.706 61.300 -0.057 0.000 1.195 300 I CB 1.054 39.068 38.000 0.023 0.000 1.350 300 I HN 0.836 nan 8.210 nan 0.000 0.464 301 A N 4.234 126.951 122.820 -0.171 0.000 2.344 301 A HA 0.992 5.322 4.320 0.017 0.000 0.307 301 A C -0.026 177.355 177.584 -0.338 0.000 1.151 301 A CA -0.358 51.534 52.037 -0.242 0.000 0.842 301 A CB 1.180 20.064 19.000 -0.193 0.000 1.350 301 A HN 0.663 nan 8.150 nan 0.000 0.459 302 G N -1.926 106.467 108.800 -0.677 0.000 2.816 302 G HA2 0.683 4.653 3.960 0.017 0.000 0.288 302 G HA3 0.683 4.653 3.960 0.017 0.000 0.288 302 G C -1.308 172.988 174.900 -1.006 0.000 1.334 302 G CA -0.273 44.358 45.100 -0.780 0.000 0.978 302 G HN 1.766 nan 8.290 nan 0.000 0.493 303 W N -0.483 120.449 121.300 -0.613 0.000 3.479 303 W HA 0.774 5.444 4.660 0.016 0.000 0.304 303 W C -1.379 175.237 176.519 0.161 0.000 1.243 303 W CA -1.430 55.787 57.345 -0.213 0.000 1.202 303 W CB 1.395 30.763 29.460 -0.153 0.000 1.346 303 W HN 0.556 nan 8.180 nan 0.000 0.539 304 R N 3.598 124.360 120.500 0.438 0.000 2.473 304 R HA 0.508 4.858 4.340 0.017 0.000 0.303 304 R C 0.847 177.314 176.300 0.279 0.000 1.002 304 R CA 0.319 56.564 56.100 0.242 0.000 0.884 304 R CB 1.242 31.657 30.300 0.191 0.000 1.173 304 R HN 1.268 nan 8.270 nan 0.000 0.464 305 G N 3.002 111.969 108.800 0.279 0.000 2.601 305 G HA2 -0.382 3.588 3.960 0.017 0.000 0.306 305 G HA3 -0.382 3.588 3.960 0.017 0.000 0.306 305 G C 0.410 175.460 174.900 0.250 0.000 1.172 305 G CA 0.535 45.767 45.100 0.221 0.000 0.966 305 G HN 0.631 nan 8.290 nan 0.000 0.542 306 E N 1.010 121.314 120.200 0.172 0.000 2.569 306 E HA 0.312 4.672 4.350 0.017 0.000 0.205 306 E C -0.401 176.289 176.600 0.149 0.000 1.006 306 E CA -0.213 56.260 56.400 0.122 0.000 0.985 306 E CB 0.510 30.250 29.700 0.066 0.000 1.060 306 E HN 0.254 nan 8.360 nan 0.000 0.460 307 E N 0.526 120.873 120.200 0.245 0.000 2.156 307 E HA 0.280 4.640 4.350 0.017 0.000 0.279 307 E C -1.175 175.655 176.600 0.384 0.000 0.965 307 E CA -0.388 56.192 56.400 0.300 0.000 0.789 307 E CB 1.753 31.646 29.700 0.322 0.000 1.098 307 E HN -0.130 nan 8.360 nan 0.000 0.397 308 S N 3.854 119.712 115.700 0.265 0.000 2.552 308 S HA 0.687 5.167 4.470 0.017 0.000 0.314 308 S C -1.373 173.316 174.600 0.147 0.000 1.099 308 S CA -0.709 57.548 58.200 0.095 0.000 1.070 308 S CB -0.124 63.086 63.200 0.017 0.000 0.998 308 S HN 0.339 nan 8.310 nan 0.000 0.474 309 F N 3.070 123.070 119.950 0.084 0.000 2.565 309 F HA 0.757 5.294 4.527 0.016 0.000 0.313 309 F C -2.854 172.968 175.800 0.037 0.000 1.091 309 F CA -3.051 54.982 58.000 0.055 0.000 0.915 309 F CB 0.717 39.752 39.000 0.058 0.000 1.208 309 F HN 0.216 nan 8.300 nan 0.000 0.453 310 P HA 0.247 nan 4.420 nan 0.000 0.276 310 P C -0.071 177.286 177.300 0.096 0.000 1.235 310 P CA -0.157 62.972 63.100 0.049 0.000 0.772 310 P CB 1.871 33.601 31.700 0.050 0.000 0.871 311 L N 1.657 122.888 121.223 0.013 0.000 2.425 311 L HA 0.407 4.757 4.340 0.017 0.000 0.215 311 L C 1.304 178.253 176.870 0.131 0.000 1.065 311 L CA 0.627 55.498 54.840 0.052 0.000 0.842 311 L CB -0.053 41.903 42.059 -0.172 0.000 1.033 311 L HN 0.542 nan 8.230 nan 0.000 0.474 312 G N -0.599 108.246 108.800 0.076 0.000 2.576 312 G HA2 0.369 4.338 3.960 0.017 0.000 0.290 312 G HA3 0.369 4.338 3.960 0.017 0.000 0.290 312 G C -1.996 172.895 174.900 -0.014 0.000 1.442 312 G CA -0.578 44.564 45.100 0.070 0.000 0.792 312 G HN -0.161 nan 8.290 nan 0.000 0.491 313 L N 1.835 123.013 121.223 -0.076 0.000 2.283 313 L HA 0.567 4.917 4.340 0.017 0.000 0.287 313 L C 1.226 177.979 176.870 -0.196 0.000 1.073 313 L CA -0.658 54.097 54.840 -0.142 0.000 0.822 313 L CB 0.644 42.595 42.059 -0.181 0.000 1.186 313 L HN 0.833 nan 8.230 nan 0.000 0.436 314 A N 3.726 126.383 122.820 -0.272 0.000 2.591 314 A HA 0.266 4.596 4.320 0.017 0.000 0.244 314 A C 1.476 178.575 177.584 -0.810 0.000 1.031 314 A CA 0.848 52.535 52.037 -0.583 0.000 0.767 314 A CB -0.286 18.298 19.000 -0.693 0.000 0.942 314 A HN 1.292 nan 8.150 nan 0.000 0.514 315 G N 1.173 109.427 108.800 -0.909 0.000 2.413 315 G HA2 -0.346 3.624 3.960 0.017 0.000 0.259 315 G HA3 -0.346 3.624 3.960 0.017 0.000 0.259 315 G C 1.034 175.968 174.900 0.057 0.000 1.003 315 G CA 1.228 46.055 45.100 -0.454 0.000 0.629 315 G HN 1.321 nan 8.290 nan 0.000 0.548 316 V N -0.512 119.349 119.914 -0.088 0.000 2.403 316 V HA 0.617 4.747 4.120 0.017 0.000 0.239 316 V C 0.978 177.062 176.094 -0.017 0.000 1.041 316 V CA 2.210 64.498 62.300 -0.021 0.000 1.051 316 V CB 0.270 32.038 31.823 -0.091 0.000 0.704 316 V HN 0.576 nan 8.190 nan 0.000 0.472 317 M N -1.409 118.146 119.600 -0.074 0.000 2.562 317 M HA 0.595 5.085 4.480 0.017 0.000 0.281 317 M C -0.613 175.587 176.300 -0.165 0.000 1.195 317 M CA -0.285 54.963 55.300 -0.087 0.000 0.888 317 M CB 2.030 34.590 32.600 -0.065 0.000 1.731 317 M HN 0.247 nan 8.290 nan 0.000 0.493 318 G N 0.682 109.322 108.800 -0.267 0.000 2.477 318 G HA2 0.608 4.578 3.960 0.017 0.000 0.304 318 G HA3 0.608 4.578 3.960 0.017 0.000 0.304 318 G C -0.174 174.638 174.900 -0.146 0.000 1.175 318 G CA -0.395 44.450 45.100 -0.425 0.000 0.907 318 G HN 0.896 nan 8.290 nan 0.000 0.509 319 G N -1.144 107.632 108.800 -0.041 0.000 2.503 319 G HA2 0.495 4.464 3.960 0.017 0.000 0.257 319 G HA3 0.495 4.464 3.960 0.017 0.000 0.257 319 G C 1.117 176.006 174.900 -0.019 0.000 1.214 319 G CA 0.507 45.608 45.100 0.002 0.000 0.839 319 G HN 0.966 nan 8.290 nan 0.000 0.559 320 A N 0.664 123.468 122.820 -0.027 0.000 1.898 320 A HA -0.026 4.304 4.320 0.017 0.000 0.216 320 A C 2.016 179.544 177.584 -0.094 0.000 1.181 320 A CA 1.949 53.961 52.037 -0.043 0.000 0.620 320 A CB -0.472 18.513 19.000 -0.026 0.000 0.819 320 A HN 0.772 nan 8.150 nan 0.000 0.442 321 E N 0.379 120.503 120.200 -0.127 0.000 2.031 321 E HA -0.171 4.189 4.350 0.017 0.000 0.193 321 E C 2.077 178.258 176.600 -0.698 0.000 0.994 321 E CA 1.704 57.923 56.400 -0.302 0.000 0.800 321 E CB -0.068 29.509 29.700 -0.205 0.000 0.752 321 E HN 0.709 nan 8.360 nan 0.000 0.447 322 S N 0.381 115.791 115.700 -0.485 0.000 2.522 322 S HA -0.040 4.440 4.470 0.017 0.000 0.227 322 S C 0.796 175.314 174.600 -0.137 0.000 0.986 322 S CA -0.018 57.928 58.200 -0.422 0.000 0.929 322 S CB -0.068 63.224 63.200 0.154 0.000 0.769 322 S HN 0.247 nan 8.310 nan 0.000 0.529 323 E N 1.846 121.987 120.200 -0.099 0.000 2.481 323 E HA 0.038 4.398 4.350 0.017 0.000 0.263 323 E C -0.581 175.971 176.600 -0.080 0.000 0.992 323 E CA -0.108 56.258 56.400 -0.058 0.000 0.938 323 E CB 0.561 30.235 29.700 -0.044 0.000 0.933 323 E HN 0.095 nan 8.360 nan 0.000 0.453 324 V N 4.854 124.709 119.914 -0.098 0.000 2.740 324 V HA 0.113 4.243 4.120 0.017 0.000 0.303 324 V C 0.757 176.826 176.094 -0.042 0.000 1.054 324 V CA 0.737 63.001 62.300 -0.059 0.000 1.106 324 V CB 0.913 32.681 31.823 -0.091 0.000 0.957 324 V HN 0.718 nan 8.190 nan 0.000 0.486 325 R N 1.649 122.146 120.500 -0.006 0.000 2.846 325 R HA 0.333 4.683 4.340 0.017 0.000 0.263 325 R C 0.827 177.130 176.300 0.006 0.000 1.080 325 R CA -0.865 55.233 56.100 -0.003 0.000 0.961 325 R CB 1.128 31.436 30.300 0.014 0.000 1.231 325 R HN 0.680 nan 8.270 nan 0.000 0.465 326 E N 0.615 120.818 120.200 0.005 0.000 2.086 326 E HA -0.214 4.145 4.350 0.017 0.000 0.200 326 E C 0.257 176.868 176.600 0.018 0.000 1.012 326 E CA 1.855 58.258 56.400 0.006 0.000 0.812 326 E CB 0.031 29.733 29.700 0.004 0.000 0.743 326 E HN 0.378 nan 8.360 nan 0.000 0.453 327 D N 0.018 120.437 120.400 0.031 0.000 2.332 327 D HA -0.003 4.647 4.640 0.017 0.000 0.244 327 D C -0.485 175.849 176.300 0.057 0.000 1.136 327 D CA 0.441 54.466 54.000 0.041 0.000 0.884 327 D CB -0.087 40.741 40.800 0.046 0.000 0.906 327 D HN 0.058 nan 8.370 nan 0.000 0.520 328 T N 0.317 114.905 114.554 0.057 0.000 2.845 328 T HA 0.232 4.592 4.350 0.017 0.000 0.288 328 T C 1.268 176.006 174.700 0.063 0.000 0.980 328 T CA -0.514 61.630 62.100 0.075 0.000 1.071 328 T CB 1.562 70.473 68.868 0.071 0.000 0.941 328 T HN 0.154 nan 8.240 nan 0.000 0.487 329 E N 0.893 121.145 120.200 0.086 0.000 2.541 329 E HA 0.499 4.859 4.350 0.017 0.000 0.219 329 E C 0.139 176.819 176.600 0.134 0.000 0.922 329 E CA -0.473 55.982 56.400 0.091 0.000 1.095 329 E CB 0.894 30.652 29.700 0.097 0.000 1.112 329 E HN 0.527 nan 8.360 nan 0.000 0.516 330 A N 2.006 124.923 122.820 0.162 0.000 2.566 330 A HA 0.631 4.961 4.320 0.017 0.000 0.297 330 A C -1.209 176.508 177.584 0.223 0.000 1.059 330 A CA -0.814 51.363 52.037 0.233 0.000 0.691 330 A CB 1.741 20.961 19.000 0.368 0.000 1.282 330 A HN 0.217 nan 8.150 nan 0.000 0.401 331 I N -0.971 119.739 120.570 0.232 0.000 3.279 331 I HA 0.943 5.123 4.170 0.017 0.000 0.315 331 I C -0.712 175.536 176.117 0.218 0.000 1.187 331 I CA -0.840 60.574 61.300 0.190 0.000 0.953 331 I CB 1.568 39.635 38.000 0.112 0.000 1.279 331 I HN 1.255 nan 8.210 nan 0.000 0.465 332 A N 3.390 126.279 122.820 0.114 0.000 2.318 332 A HA 0.694 5.024 4.320 0.017 0.000 0.317 332 A C -1.257 176.441 177.584 0.191 0.000 1.159 332 A CA -0.513 51.551 52.037 0.045 0.000 0.799 332 A CB 1.000 19.783 19.000 -0.362 0.000 1.194 332 A HN 0.677 nan 8.150 nan 0.000 0.479 333 L N 2.322 123.662 121.223 0.194 0.000 2.259 333 L HA 0.313 4.663 4.340 0.017 0.000 0.288 333 L C 0.493 177.447 176.870 0.140 0.000 1.051 333 L CA -0.036 54.894 54.840 0.149 0.000 0.824 333 L CB 0.798 42.917 42.059 0.099 0.000 1.206 333 L HN 0.773 nan 8.230 nan 0.000 0.429 334 E N 4.615 124.926 120.200 0.184 0.000 2.257 334 E HA 0.279 4.639 4.350 0.017 0.000 0.278 334 E C -1.546 175.011 176.600 -0.071 0.000 1.049 334 E CA -0.152 56.286 56.400 0.063 0.000 0.876 334 E CB 0.743 30.632 29.700 0.314 0.000 1.035 334 E HN 0.468 nan 8.360 nan 0.000 0.419 335 V N 4.183 123.931 119.914 -0.275 0.000 2.498 335 V HA 0.572 4.702 4.120 0.017 0.000 0.283 335 V C -0.275 175.563 176.094 -0.427 0.000 1.015 335 V CA -0.371 61.801 62.300 -0.214 0.000 0.867 335 V CB 0.827 32.574 31.823 -0.127 0.000 1.025 335 V HN 0.793 nan 8.190 nan 0.000 0.441 336 A N 2.721 125.293 122.820 -0.413 0.000 2.504 336 A HA 0.898 5.228 4.320 0.017 0.000 0.285 336 A C -0.932 176.429 177.584 -0.371 0.000 1.261 336 A CA -0.554 51.112 52.037 -0.619 0.000 0.741 336 A CB 2.050 20.355 19.000 -1.159 0.000 1.327 336 A HN 0.991 nan 8.150 nan 0.000 0.441 337 C N 0.714 119.749 119.300 -0.443 0.000 2.356 337 C HA 0.803 5.273 4.460 0.017 0.000 0.324 337 C C -1.165 173.598 174.990 -0.378 0.000 1.167 337 C CA -1.002 57.924 59.018 -0.153 0.000 1.420 337 C CB -1.933 25.840 27.740 0.055 0.000 2.036 337 C HN 0.490 nan 8.230 nan 0.000 0.435 338 F N 2.686 122.507 119.950 -0.216 0.000 2.375 338 F HA 0.402 4.939 4.527 0.017 0.000 0.317 338 F C 0.689 176.450 175.800 -0.064 0.000 1.124 338 F CA -0.225 57.639 58.000 -0.225 0.000 1.050 338 F CB 0.571 39.262 39.000 -0.515 0.000 1.314 338 F HN 0.599 nan 8.300 nan 0.000 0.511 339 D N 1.626 122.136 120.400 0.183 0.000 2.325 339 D HA 0.223 4.873 4.640 0.017 0.000 0.251 339 D C -2.041 174.322 176.300 0.105 0.000 1.196 339 D CA -1.882 52.187 54.000 0.115 0.000 0.866 339 D CB 1.237 42.088 40.800 0.085 0.000 1.101 339 D HN 0.010 nan 8.370 nan 0.000 0.476 340 P HA -0.251 nan 4.420 nan 0.000 0.217 340 P C 1.484 178.823 177.300 0.065 0.000 1.162 340 P CA 1.065 64.228 63.100 0.104 0.000 0.901 340 P CB 0.107 31.860 31.700 0.088 0.000 0.793 341 V N -0.462 119.480 119.914 0.048 0.000 2.392 341 V HA -0.246 3.883 4.120 0.017 0.000 0.249 341 V C 2.647 178.750 176.094 0.015 0.000 1.059 341 V CA 2.397 64.715 62.300 0.030 0.000 1.051 341 V CB -1.708 30.131 31.823 0.025 0.000 0.658 341 V HN 0.245 nan 8.190 nan 0.000 0.455 342 S N -0.150 115.558 115.700 0.012 0.000 2.368 342 S HA -0.127 4.352 4.470 0.017 0.000 0.224 342 S C 1.990 176.568 174.600 -0.036 0.000 1.029 342 S CA 1.394 59.586 58.200 -0.015 0.000 0.988 342 S CB -0.251 62.941 63.200 -0.014 0.000 0.838 342 S HN 0.434 nan 8.310 nan 0.000 0.462 343 I N 1.740 122.295 120.570 -0.025 0.000 2.179 343 I HA -0.141 4.039 4.170 0.017 0.000 0.242 343 I C 2.763 178.879 176.117 -0.001 0.000 1.088 343 I CA 1.425 62.704 61.300 -0.035 0.000 1.357 343 I CB -1.306 36.706 38.000 0.021 0.000 1.051 343 I HN 0.422 nan 8.210 nan 0.000 0.409 344 R N 1.348 121.862 120.500 0.023 0.000 2.097 344 R HA -0.249 4.101 4.340 0.017 0.000 0.236 344 R C 2.377 178.684 176.300 0.011 0.000 1.135 344 R CA 2.144 58.261 56.100 0.027 0.000 0.934 344 R CB -0.161 30.157 30.300 0.030 0.000 0.846 344 R HN 0.196 nan 8.270 nan 0.000 0.431 345 K N -0.743 119.654 120.400 -0.005 0.000 1.987 345 K HA -0.146 4.184 4.320 0.017 0.000 0.216 345 K C 2.048 178.629 176.600 -0.031 0.000 1.051 345 K CA 2.509 58.781 56.287 -0.025 0.000 0.942 345 K CB -0.278 32.194 32.500 -0.046 0.000 0.722 345 K HN 0.201 nan 8.250 nan 0.000 0.444 346 T N 0.558 115.084 114.554 -0.047 0.000 2.699 346 T HA -0.210 4.149 4.350 0.017 0.000 0.268 346 T C 1.788 176.493 174.700 0.009 0.000 1.036 346 T CA 1.482 63.558 62.100 -0.040 0.000 1.147 346 T CB -0.400 68.408 68.868 -0.101 0.000 0.862 346 T HN 0.431 nan 8.240 nan 0.000 0.446 347 A N 1.645 124.461 122.820 -0.007 0.000 1.877 347 A HA -0.109 4.221 4.320 0.017 0.000 0.216 347 A C 2.342 179.957 177.584 0.053 0.000 1.186 347 A CA 1.491 53.536 52.037 0.014 0.000 0.620 347 A CB -0.448 18.568 19.000 0.026 0.000 0.822 347 A HN 0.449 nan 8.150 nan 0.000 0.443 348 R N -1.099 119.430 120.500 0.048 0.000 2.236 348 R HA 0.048 4.398 4.340 0.017 0.000 0.208 348 R C 2.297 178.629 176.300 0.053 0.000 1.036 348 R CA 0.826 56.954 56.100 0.047 0.000 1.001 348 R CB -0.202 30.118 30.300 0.033 0.000 0.896 348 R HN 0.608 nan 8.270 nan 0.000 0.464 349 R N 0.503 121.048 120.500 0.075 0.000 2.120 349 R HA -0.078 4.272 4.340 0.017 0.000 0.234 349 R C -0.125 176.198 176.300 0.039 0.000 1.123 349 R CA 1.290 57.426 56.100 0.060 0.000 0.975 349 R CB 0.088 30.429 30.300 0.069 0.000 0.866 349 R HN 0.225 nan 8.270 nan 0.000 0.446 350 H N -2.278 116.783 119.070 -0.016 0.000 2.676 350 H HA 0.355 4.921 4.556 0.017 0.000 0.352 350 H C -0.179 175.149 175.328 -0.000 0.000 1.193 350 H CA -0.437 55.609 56.048 -0.004 0.000 1.243 350 H CB 1.504 31.263 29.762 -0.005 0.000 1.751 350 H HN 0.190 nan 8.280 nan 0.000 0.567 351 G N 1.273 110.147 108.800 0.123 0.000 3.102 351 G HA2 0.370 4.340 3.960 0.017 0.000 0.264 351 G HA3 0.370 4.340 3.960 0.017 0.000 0.264 351 G C -0.640 174.298 174.900 0.064 0.000 0.788 351 G CA -0.021 45.122 45.100 0.071 0.000 2.029 351 G HN 0.280 nan 8.290 nan 0.000 0.608 352 L N 0.506 121.768 121.223 0.064 0.000 2.422 352 L HA 0.643 4.992 4.340 0.017 0.000 0.264 352 L C -0.191 176.704 176.870 0.042 0.000 0.984 352 L CA -1.034 53.832 54.840 0.043 0.000 0.819 352 L CB 2.989 45.064 42.059 0.026 0.000 1.330 352 L HN 0.184 nan 8.230 nan 0.000 0.410 353 R N 1.746 122.269 120.500 0.038 0.000 2.631 353 R HA 0.431 4.781 4.340 0.017 0.000 0.289 353 R C -1.140 175.184 176.300 0.039 0.000 1.303 353 R CA -0.184 55.945 56.100 0.048 0.000 0.989 353 R CB 1.882 32.205 30.300 0.038 0.000 1.208 353 R HN 0.831 nan 8.270 nan 0.000 0.461 354 T N -1.106 113.481 114.554 0.056 0.000 2.942 354 T HA 0.293 4.653 4.350 0.017 0.000 0.289 354 T C 1.093 175.833 174.700 0.067 0.000 1.044 354 T CA -0.849 61.279 62.100 0.047 0.000 1.023 354 T CB 1.822 70.715 68.868 0.042 0.000 1.123 354 T HN 0.345 nan 8.240 nan 0.000 0.512 355 E N 0.748 120.974 120.200 0.042 0.000 2.086 355 E HA -0.221 4.139 4.350 0.017 0.000 0.200 355 E C 2.328 178.958 176.600 0.050 0.000 1.012 355 E CA 1.841 58.266 56.400 0.042 0.000 0.812 355 E CB -0.850 28.861 29.700 0.017 0.000 0.743 355 E HN 0.817 nan 8.360 nan 0.000 0.453 356 A N 1.528 124.378 122.820 0.050 0.000 1.855 356 A HA -0.195 4.135 4.320 0.017 0.000 0.215 356 A C 2.464 180.125 177.584 0.129 0.000 1.191 356 A CA 2.470 54.535 52.037 0.048 0.000 0.613 356 A CB -0.808 18.285 19.000 0.154 0.000 0.829 356 A HN 0.364 nan 8.150 nan 0.000 0.442 357 S N -0.519 115.286 115.700 0.176 0.000 2.359 357 S HA -0.353 4.127 4.470 0.017 0.000 0.223 357 S C 1.978 176.679 174.600 0.169 0.000 1.039 357 S CA 2.088 60.404 58.200 0.193 0.000 1.042 357 S CB -0.923 62.349 63.200 0.120 0.000 0.915 357 S HN 0.730 nan 8.310 nan 0.000 0.439 358 H N 2.180 121.277 119.070 0.045 0.000 2.265 358 H HA -0.052 4.514 4.556 0.016 0.000 0.295 358 H C 2.394 177.724 175.328 0.002 0.000 1.084 358 H CA 2.527 58.588 56.048 0.021 0.000 1.261 358 H CB -0.330 29.431 29.762 -0.002 0.000 1.360 358 H HN 0.463 nan 8.280 nan 0.000 0.487 359 R N -1.080 119.354 120.500 -0.110 0.000 2.096 359 R HA -0.124 4.226 4.340 0.017 0.000 0.235 359 R C 2.279 178.460 176.300 -0.198 0.000 1.127 359 R CA 1.356 57.313 56.100 -0.239 0.000 0.968 359 R CB -0.431 29.696 30.300 -0.287 0.000 0.861 359 R HN 0.302 nan 8.270 nan 0.000 0.440 360 F N 1.495 121.453 119.950 0.013 0.000 2.234 360 F HA -0.102 4.435 4.527 0.016 0.000 0.299 360 F C 2.296 178.110 175.800 0.024 0.000 1.087 360 F CA 1.020 59.054 58.000 0.058 0.000 1.340 360 F CB -0.330 38.754 39.000 0.138 0.000 1.031 360 F HN 0.060 nan 8.300 nan 0.000 0.500 361 E N -0.540 119.751 120.200 0.152 0.000 2.072 361 E HA -0.145 4.215 4.350 0.017 0.000 0.190 361 E C 2.375 178.975 176.600 0.001 0.000 0.982 361 E CA 0.592 57.032 56.400 0.067 0.000 0.803 361 E CB 0.124 29.841 29.700 0.028 0.000 0.755 361 E HN 0.084 nan 8.360 nan 0.000 0.453 362 R N -0.440 120.003 120.500 -0.094 0.000 2.115 362 R HA 0.080 4.430 4.340 0.017 0.000 0.226 362 R C 0.654 176.935 176.300 -0.033 0.000 1.100 362 R CA 0.996 57.032 56.100 -0.107 0.000 0.980 362 R CB 0.210 30.374 30.300 -0.227 0.000 0.875 362 R HN 0.221 nan 8.270 nan 0.000 0.445 363 G N -0.475 108.325 108.800 0.000 0.000 2.535 363 G HA2 -0.008 3.962 3.960 0.017 0.000 0.662 363 G HA3 -0.008 3.962 3.960 0.017 0.000 0.662 363 G C -1.493 173.421 174.900 0.024 0.000 1.417 363 G CA -0.828 44.297 45.100 0.041 0.000 0.866 363 G HN 0.027 nan 8.290 nan 0.000 0.647 364 V N 1.513 121.472 119.914 0.074 0.000 2.864 364 V HA 0.630 4.760 4.120 0.017 0.000 0.314 364 V C -0.218 175.911 176.094 0.059 0.000 1.073 364 V CA -0.570 61.755 62.300 0.041 0.000 0.956 364 V CB 2.015 33.899 31.823 0.102 0.000 1.023 364 V HN 0.992 nan 8.190 nan 0.000 0.435 365 D N 5.547 125.973 120.400 0.043 0.000 2.363 365 D HA 0.119 4.769 4.640 0.017 0.000 0.263 365 D C -1.296 175.053 176.300 0.082 0.000 1.258 365 D CA -1.581 52.458 54.000 0.064 0.000 0.907 365 D CB 1.477 42.322 40.800 0.075 0.000 1.107 365 D HN 0.244 nan 8.370 nan 0.000 0.495 366 P HA -0.122 nan 4.420 nan 0.000 0.229 366 P C 0.532 177.913 177.300 0.136 0.000 1.150 366 P CA 0.582 63.740 63.100 0.097 0.000 0.765 366 P CB 0.387 32.113 31.700 0.043 0.000 0.783 367 L N -2.563 118.729 121.223 0.116 0.000 3.259 367 L HA 0.312 4.661 4.340 0.017 0.000 0.292 367 L C 2.086 179.026 176.870 0.115 0.000 1.219 367 L CA 0.490 55.407 54.840 0.129 0.000 1.035 367 L CB -0.843 41.252 42.059 0.060 0.000 1.424 367 L HN -0.041 nan 8.230 nan 0.000 0.603 368 G N -0.353 108.500 108.800 0.088 0.000 2.534 368 G HA2 -0.184 3.786 3.960 0.017 0.000 0.217 368 G HA3 -0.184 3.786 3.960 0.017 0.000 0.217 368 G C 1.297 176.208 174.900 0.019 0.000 1.128 368 G CA 0.222 45.348 45.100 0.043 0.000 0.784 368 G HN 0.265 nan 8.290 nan 0.000 0.542 369 Q N 0.316 120.124 119.800 0.012 0.000 2.014 369 Q HA -0.123 4.227 4.340 0.017 0.000 0.207 369 Q C 2.840 178.812 176.000 -0.047 0.000 0.993 369 Q CA 1.864 57.621 55.803 -0.076 0.000 0.850 369 Q CB -0.723 27.851 28.738 -0.274 0.000 0.916 369 Q HN 0.337 nan 8.270 nan 0.000 0.417 370 V N 1.500 121.415 119.914 0.001 0.000 2.343 370 V HA -0.180 3.950 4.120 0.017 0.000 0.247 370 V C -0.932 175.174 176.094 0.020 0.000 1.051 370 V CA 2.027 64.338 62.300 0.020 0.000 1.036 370 V CB -1.807 30.050 31.823 0.058 0.000 0.654 370 V HN 0.388 nan 8.190 nan 0.000 0.451 371 P HA -0.109 nan 4.420 nan 0.000 0.217 371 P C 1.674 178.978 177.300 0.007 0.000 1.151 371 P CA 1.996 65.104 63.100 0.014 0.000 0.828 371 P CB -0.013 31.693 31.700 0.010 0.000 0.788 372 A N 0.599 123.418 122.820 -0.002 0.000 1.883 372 A HA -0.228 4.102 4.320 0.017 0.000 0.217 372 A C 2.444 180.031 177.584 0.005 0.000 1.186 372 A CA 1.563 53.597 52.037 -0.006 0.000 0.624 372 A CB -1.404 17.584 19.000 -0.021 0.000 0.822 372 A HN 0.125 nan 8.150 nan 0.000 0.444 373 Q N -0.872 118.929 119.800 0.002 0.000 2.061 373 Q HA -0.187 4.162 4.340 0.017 0.000 0.204 373 Q C 2.285 178.299 176.000 0.023 0.000 0.984 373 Q CA 1.313 57.124 55.803 0.014 0.000 0.846 373 Q CB -0.349 28.399 28.738 0.018 0.000 0.902 373 Q HN 0.443 nan 8.270 nan 0.000 0.421 374 R N 0.675 121.188 120.500 0.022 0.000 2.105 374 R HA -0.123 4.227 4.340 0.017 0.000 0.239 374 R C 2.170 178.484 176.300 0.023 0.000 1.135 374 R CA 1.260 57.374 56.100 0.023 0.000 0.967 374 R CB -0.624 29.688 30.300 0.021 0.000 0.861 374 R HN 0.156 nan 8.270 nan 0.000 0.442 375 R N 0.871 121.387 120.500 0.028 0.000 2.075 375 R HA -0.003 4.347 4.340 0.017 0.000 0.230 375 R C 2.038 178.367 176.300 0.048 0.000 1.140 375 R CA 2.104 58.230 56.100 0.044 0.000 0.928 375 R CB -1.048 29.284 30.300 0.053 0.000 0.834 375 R HN 0.150 nan 8.270 nan 0.000 0.429 376 A N 0.749 123.594 122.820 0.043 0.000 1.892 376 A HA -0.166 4.164 4.320 0.017 0.000 0.218 376 A C 2.416 180.008 177.584 0.013 0.000 1.188 376 A CA 1.914 53.971 52.037 0.035 0.000 0.631 376 A CB -0.883 18.131 19.000 0.024 0.000 0.822 376 A HN 0.393 nan 8.150 nan 0.000 0.447 377 L N -0.633 120.597 121.223 0.011 0.000 2.017 377 L HA -0.192 4.158 4.340 0.017 0.000 0.208 377 L C 3.006 179.866 176.870 -0.017 0.000 1.073 377 L CA 1.681 56.518 54.840 -0.004 0.000 0.745 377 L CB -0.501 41.562 42.059 0.007 0.000 0.894 377 L HN 0.566 nan 8.230 nan 0.000 0.432 378 S N 0.098 115.796 115.700 -0.003 0.000 2.370 378 S HA -0.207 4.273 4.470 0.017 0.000 0.226 378 S C 2.052 176.646 174.600 -0.010 0.000 1.033 378 S CA 1.313 59.508 58.200 -0.008 0.000 1.011 378 S CB -0.307 62.897 63.200 0.006 0.000 0.852 378 S HN 0.320 nan 8.310 nan 0.000 0.457 379 L N 0.672 121.898 121.223 0.005 0.000 2.042 379 L HA -0.093 4.257 4.340 0.017 0.000 0.210 379 L C 2.587 179.440 176.870 -0.029 0.000 1.076 379 L CA 1.327 56.168 54.840 0.002 0.000 0.749 379 L CB -0.499 41.572 42.059 0.021 0.000 0.893 379 L HN 0.383 nan 8.230 nan 0.000 0.432 380 L N -0.802 120.398 121.223 -0.039 0.000 2.042 380 L HA -0.290 4.060 4.340 0.017 0.000 0.210 380 L C 2.656 179.482 176.870 -0.074 0.000 1.076 380 L CA 1.386 56.189 54.840 -0.061 0.000 0.749 380 L CB -0.448 41.573 42.059 -0.063 0.000 0.893 380 L HN 0.366 nan 8.230 nan 0.000 0.432 381 Q N -0.416 119.340 119.800 -0.074 0.000 2.135 381 Q HA -0.231 4.119 4.340 0.017 0.000 0.204 381 Q C 2.218 178.177 176.000 -0.068 0.000 0.981 381 Q CA 1.918 57.669 55.803 -0.087 0.000 0.856 381 Q CB -0.042 28.649 28.738 -0.078 0.000 0.902 381 Q HN 0.544 nan 8.270 nan 0.000 0.425 382 A N -0.363 122.428 122.820 -0.048 0.000 1.872 382 A HA -0.095 4.234 4.320 0.017 0.000 0.214 382 A C 1.721 179.284 177.584 -0.035 0.000 1.187 382 A CA 1.039 53.055 52.037 -0.035 0.000 0.614 382 A CB -0.253 18.737 19.000 -0.017 0.000 0.826 382 A HN 0.370 nan 8.150 nan 0.000 0.442 383 L N -1.588 119.607 121.223 -0.046 0.000 2.416 383 L HA 0.292 4.641 4.340 0.017 0.000 0.216 383 L C 2.147 178.977 176.870 -0.068 0.000 1.098 383 L CA 1.414 56.218 54.840 -0.060 0.000 0.840 383 L CB -0.182 41.819 42.059 -0.096 0.000 0.981 383 L HN 0.375 nan 8.230 nan 0.000 0.462 384 A N -1.346 121.432 122.820 -0.071 0.000 2.545 384 A HA 0.528 4.858 4.320 0.017 0.000 0.263 384 A C 1.454 178.993 177.584 -0.075 0.000 1.202 384 A CA 0.332 52.327 52.037 -0.070 0.000 0.959 384 A CB -0.314 18.642 19.000 -0.074 0.000 1.124 384 A HN 0.291 nan 8.150 nan 0.000 0.543 385 G N 0.181 108.935 108.800 -0.076 0.000 2.395 385 G HA2 0.066 4.036 3.960 0.017 0.000 0.300 385 G HA3 0.066 4.036 3.960 0.017 0.000 0.300 385 G C 0.468 175.290 174.900 -0.129 0.000 0.998 385 G CA 0.587 45.635 45.100 -0.087 0.000 1.046 385 G HN 1.584 nan 8.290 nan 0.000 0.513 386 A N -0.297 122.431 122.820 -0.153 0.000 2.351 386 A HA 0.754 5.084 4.320 0.017 0.000 0.257 386 A C 0.799 178.174 177.584 -0.349 0.000 1.087 386 A CA -0.172 51.721 52.037 -0.238 0.000 0.798 386 A CB 0.512 19.390 19.000 -0.203 0.000 1.033 386 A HN 0.598 nan 8.150 nan 0.000 0.488 387 R N 0.516 120.631 120.500 -0.642 0.000 2.312 387 R HA 0.543 4.892 4.340 0.017 0.000 0.311 387 R C -1.273 174.474 176.300 -0.923 0.000 1.004 387 R CA -0.245 55.335 56.100 -0.866 0.000 0.902 387 R CB 1.347 30.803 30.300 -1.407 0.000 1.073 387 R HN 0.521 nan 8.270 nan 0.000 0.457 388 V N 2.501 122.147 119.914 -0.446 0.000 2.604 388 V HA 0.561 4.691 4.120 0.017 0.000 0.305 388 V C -0.012 176.081 176.094 -0.002 0.000 1.043 388 V CA -1.146 61.027 62.300 -0.211 0.000 0.888 388 V CB 1.759 33.515 31.823 -0.112 0.000 0.995 388 V HN 0.913 nan 8.190 nan 0.000 0.429 389 A N 2.455 125.365 122.820 0.151 0.000 2.340 389 A HA 0.504 4.834 4.320 0.017 0.000 0.268 389 A C 0.981 178.655 177.584 0.149 0.000 1.100 389 A CA -0.152 52.031 52.037 0.244 0.000 0.803 389 A CB 0.295 19.542 19.000 0.411 0.000 1.043 389 A HN 1.064 nan 8.150 nan 0.000 0.488 390 E N 1.362 121.633 120.200 0.117 0.000 2.358 390 E HA 0.258 4.618 4.350 0.017 0.000 0.195 390 E C 0.714 177.363 176.600 0.082 0.000 1.010 390 E CA 0.691 57.140 56.400 0.082 0.000 0.856 390 E CB -0.070 29.667 29.700 0.062 0.000 0.795 390 E HN 0.617 nan 8.360 nan 0.000 0.504 391 A N 1.281 124.158 122.820 0.095 0.000 2.282 391 A HA 0.639 4.969 4.320 0.017 0.000 0.319 391 A C -0.532 177.112 177.584 0.099 0.000 1.121 391 A CA -0.677 51.408 52.037 0.079 0.000 0.836 391 A CB 0.838 19.870 19.000 0.053 0.000 1.146 391 A HN 0.201 nan 8.150 nan 0.000 0.494 392 L N 0.582 121.857 121.223 0.087 0.000 2.323 392 L HA 0.443 4.793 4.340 0.017 0.000 0.265 392 L C -1.297 175.634 176.870 0.102 0.000 1.012 392 L CA -1.023 53.883 54.840 0.110 0.000 0.820 392 L CB 1.894 44.012 42.059 0.099 0.000 1.334 392 L HN 0.502 nan 8.230 nan 0.000 0.427 393 L N 1.985 123.294 121.223 0.142 0.000 2.257 393 L HA 0.395 4.745 4.340 0.017 0.000 0.290 393 L C -0.117 176.856 176.870 0.170 0.000 1.044 393 L CA 0.281 55.209 54.840 0.146 0.000 0.810 393 L CB 1.097 43.280 42.059 0.207 0.000 1.193 393 L HN 0.497 nan 8.230 nan 0.000 0.425 394 E N 2.058 122.345 120.200 0.145 0.000 2.256 394 E HA 0.858 5.218 4.350 0.017 0.000 0.267 394 E C -1.424 175.281 176.600 0.174 0.000 0.892 394 E CA -0.884 55.616 56.400 0.166 0.000 0.775 394 E CB 2.044 31.838 29.700 0.157 0.000 1.207 394 E HN 0.622 nan 8.360 nan 0.000 0.420 395 A N 2.381 125.336 122.820 0.225 0.000 2.402 395 A HA 0.703 5.033 4.320 0.017 0.000 0.291 395 A C -0.347 177.373 177.584 0.227 0.000 1.051 395 A CA 0.018 52.166 52.037 0.186 0.000 0.716 395 A CB 1.207 20.293 19.000 0.143 0.000 1.223 395 A HN 0.888 nan 8.150 nan 0.000 0.425 396 G N 1.653 110.534 108.800 0.135 0.000 3.307 396 G HA2 0.228 4.198 3.960 0.017 0.000 0.686 396 G HA3 0.228 4.198 3.960 0.017 0.000 0.686 396 G C -0.309 174.594 174.900 0.004 0.000 0.983 396 G CA -0.294 44.856 45.100 0.083 0.000 0.804 396 G HN 1.771 nan 8.290 nan 0.000 0.531 397 S N 4.112 119.782 115.700 -0.051 0.000 2.423 397 S HA 0.689 5.169 4.470 0.017 0.000 0.317 397 S C -1.729 172.778 174.600 -0.155 0.000 1.065 397 S CA -1.072 57.055 58.200 -0.122 0.000 1.111 397 S CB 1.803 64.971 63.200 -0.053 0.000 0.968 397 S HN 0.788 nan 8.310 nan 0.000 0.474 398 P HA 0.403 nan 4.420 nan 0.000 0.282 398 P C -0.591 176.641 177.300 -0.112 0.000 1.249 398 P CA -0.785 62.210 63.100 -0.175 0.000 0.806 398 P CB 0.738 32.306 31.700 -0.220 0.000 0.984 399 K N 2.448 122.808 120.400 -0.066 0.000 2.218 399 K HA 0.336 4.665 4.320 0.017 0.000 0.276 399 K C -1.973 174.606 176.600 -0.036 0.000 1.022 399 K CA -1.390 54.871 56.287 -0.043 0.000 0.946 399 K CB -0.003 32.480 32.500 -0.028 0.000 1.000 399 K HN 0.397 nan 8.250 nan 0.000 0.468 400 P HA 0.161 nan 4.420 nan 0.000 0.273 400 P C -2.501 174.787 177.300 -0.019 0.000 1.250 400 P CA -0.986 62.101 63.100 -0.022 0.000 0.793 400 P CB -0.149 31.541 31.700 -0.016 0.000 1.011 401 P HA 0.262 nan 4.420 nan 0.000 0.276 401 P C -0.516 176.776 177.300 -0.013 0.000 1.244 401 P CA -0.200 62.887 63.100 -0.021 0.000 0.801 401 P CB 0.915 32.594 31.700 -0.035 0.000 1.006 402 E N -0.331 119.865 120.200 -0.007 0.000 2.280 402 E HA 0.539 4.899 4.350 0.017 0.000 0.261 402 E C -0.162 176.441 176.600 0.005 0.000 1.088 402 E CA -0.956 55.445 56.400 0.001 0.000 0.915 402 E CB 0.844 30.547 29.700 0.005 0.000 1.141 402 E HN 0.527 nan 8.360 nan 0.000 0.433 403 A N 1.360 124.189 122.820 0.015 0.000 2.425 403 A HA 0.337 4.667 4.320 0.017 0.000 0.249 403 A C -0.434 177.173 177.584 0.038 0.000 1.084 403 A CA -0.027 52.026 52.037 0.027 0.000 0.781 403 A CB -0.069 18.953 19.000 0.037 0.000 1.019 403 A HN 0.465 nan 8.150 nan 0.000 0.490 404 I N 3.863 124.465 120.570 0.052 0.000 2.404 404 I HA 0.352 4.532 4.170 0.017 0.000 0.293 404 I C -2.039 174.156 176.117 0.130 0.000 0.992 404 I CA -2.170 59.176 61.300 0.077 0.000 1.149 404 I CB 2.213 40.255 38.000 0.071 0.000 1.315 404 I HN 0.468 nan 8.210 nan 0.000 0.446 405 P HA 0.165 nan 4.420 nan 0.000 0.276 405 P C -1.112 176.353 177.300 0.276 0.000 1.230 405 P CA -0.031 63.164 63.100 0.159 0.000 0.776 405 P CB 0.761 32.509 31.700 0.081 0.000 0.888 406 F N 3.590 123.616 119.950 0.127 0.000 2.585 406 F HA 0.410 4.947 4.527 0.016 0.000 0.319 406 F C -0.573 175.363 175.800 0.227 0.000 1.165 406 F CA -0.845 57.252 58.000 0.162 0.000 0.949 406 F CB 1.894 40.976 39.000 0.137 0.000 1.218 406 F HN 0.146 nan 8.300 nan 0.000 0.453 407 R N 7.136 127.339 120.500 -0.496 0.000 2.275 407 R HA 0.327 4.677 4.340 0.017 0.000 0.326 407 R C -2.283 173.682 176.300 -0.558 0.000 0.973 407 R CA -1.682 54.226 56.100 -0.319 0.000 0.854 407 R CB 1.021 31.249 30.300 -0.120 0.000 1.156 407 R HN 0.350 nan 8.270 nan 0.000 0.487 408 P HA -0.282 nan 4.420 nan 0.000 0.216 408 P C 1.129 178.392 177.300 -0.062 0.000 1.150 408 P CA 1.129 64.140 63.100 -0.149 0.000 0.843 408 P CB 0.315 32.087 31.700 0.119 0.000 0.787 409 E N -0.980 119.207 120.200 -0.021 0.000 2.051 409 E HA -0.231 4.129 4.350 0.017 0.000 0.192 409 E C 1.969 178.580 176.600 0.018 0.000 0.991 409 E CA 1.319 57.726 56.400 0.011 0.000 0.799 409 E CB -0.842 28.872 29.700 0.023 0.000 0.748 409 E HN 0.207 nan 8.360 nan 0.000 0.449 410 Y N 1.136 121.356 120.300 -0.133 0.000 2.165 410 Y HA -0.200 4.360 4.550 0.016 0.000 0.286 410 Y C 2.195 178.043 175.900 -0.086 0.000 1.155 410 Y CA 1.794 59.824 58.100 -0.116 0.000 1.164 410 Y CB -0.899 37.471 38.460 -0.150 0.000 0.978 410 Y HN 0.086 nan 8.280 nan 0.000 0.513 411 A N 0.880 123.544 122.820 -0.261 0.000 1.859 411 A HA -0.295 4.035 4.320 0.017 0.000 0.217 411 A C 2.235 179.735 177.584 -0.139 0.000 1.198 411 A CA 2.164 54.068 52.037 -0.221 0.000 0.629 411 A CB -1.068 17.950 19.000 0.031 0.000 0.830 411 A HN 0.603 nan 8.150 nan 0.000 0.446 412 N N -0.653 118.021 118.700 -0.043 0.000 2.069 412 N HA -0.175 4.575 4.740 0.017 0.000 0.191 412 N C 1.878 177.329 175.510 -0.099 0.000 1.031 412 N CA 1.558 54.580 53.050 -0.047 0.000 0.852 412 N CB -0.465 38.004 38.487 -0.030 0.000 1.018 412 N HN 0.567 nan 8.380 nan 0.000 0.423 413 R N 0.243 120.685 120.500 -0.096 0.000 2.091 413 R HA -0.097 4.253 4.340 0.017 0.000 0.238 413 R C 2.051 178.276 176.300 -0.127 0.000 1.136 413 R CA 0.981 57.036 56.100 -0.075 0.000 0.959 413 R CB -0.297 30.006 30.300 0.005 0.000 0.856 413 R HN 0.119 nan 8.270 nan 0.000 0.437 414 L N 0.359 121.420 121.223 -0.269 0.000 2.156 414 L HA -0.034 4.315 4.340 0.017 0.000 0.208 414 L C 1.670 178.436 176.870 -0.173 0.000 1.095 414 L CA 1.547 56.218 54.840 -0.282 0.000 0.770 414 L CB 0.008 41.734 42.059 -0.556 0.000 0.914 414 L HN 0.186 nan 8.230 nan 0.000 0.439 415 L N -0.966 120.169 121.223 -0.148 0.000 2.354 415 L HA 0.304 4.654 4.340 0.017 0.000 0.212 415 L C 1.261 178.066 176.870 -0.108 0.000 1.091 415 L CA 0.539 55.314 54.840 -0.109 0.000 0.828 415 L CB -0.513 41.520 42.059 -0.044 0.000 0.973 415 L HN 0.403 nan 8.230 nan 0.000 0.461 416 G N 1.591 110.324 108.800 -0.112 0.000 2.303 416 G HA2 -0.211 3.759 3.960 0.017 0.000 0.260 416 G HA3 -0.211 3.759 3.960 0.017 0.000 0.260 416 G C 0.137 174.949 174.900 -0.147 0.000 1.106 416 G CA 0.249 45.286 45.100 -0.105 0.000 0.900 416 G HN 0.410 nan 8.290 nan 0.000 0.495 417 T N -2.995 111.435 114.554 -0.206 0.000 2.831 417 T HA 0.842 5.202 4.350 0.017 0.000 0.287 417 T C 0.127 174.619 174.700 -0.346 0.000 1.070 417 T CA 0.163 62.041 62.100 -0.369 0.000 1.010 417 T CB 2.119 70.567 68.868 -0.699 0.000 1.264 417 T HN 1.517 nan 8.240 nan 0.000 0.532 418 S N 0.375 115.808 115.700 -0.445 0.000 2.293 418 S HA 0.430 4.910 4.470 0.017 0.000 0.154 418 S C -1.430 173.048 174.600 -0.202 0.000 1.602 418 S CA -0.838 57.220 58.200 -0.236 0.000 1.260 418 S CB -0.734 62.385 63.200 -0.134 0.000 1.270 418 S HN 0.613 nan 8.310 nan 0.000 0.416 419 Y N 2.610 122.915 120.300 0.009 0.000 2.308 419 Y HA 0.525 5.085 4.550 0.016 0.000 0.329 419 Y C -2.193 173.721 175.900 0.023 0.000 1.111 419 Y CA -2.451 55.659 58.100 0.017 0.000 1.179 419 Y CB 0.533 39.008 38.460 0.025 0.000 1.201 419 Y HN 0.333 nan 8.280 nan 0.000 0.483 420 P HA 0.034 nan 4.420 nan 0.000 0.276 420 P C 0.513 177.880 177.300 0.112 0.000 1.230 420 P CA -0.035 63.132 63.100 0.112 0.000 0.776 420 P CB 1.223 32.972 31.700 0.081 0.000 0.888 421 E N 2.990 123.252 120.200 0.103 0.000 2.119 421 E HA -0.350 4.010 4.350 0.017 0.000 0.221 421 E C 1.930 178.563 176.600 0.055 0.000 1.062 421 E CA 2.479 58.939 56.400 0.099 0.000 0.894 421 E CB -0.476 29.291 29.700 0.113 0.000 0.785 421 E HN 0.573 nan 8.360 nan 0.000 0.472 422 A N 0.603 123.448 122.820 0.042 0.000 1.903 422 A HA -0.339 3.991 4.320 0.017 0.000 0.219 422 A C 2.003 179.585 177.584 -0.004 0.000 1.191 422 A CA 2.227 54.272 52.037 0.013 0.000 0.638 422 A CB -0.778 18.234 19.000 0.021 0.000 0.823 422 A HN 0.428 nan 8.150 nan 0.000 0.451 423 E N -0.603 119.604 120.200 0.012 0.000 2.058 423 E HA -0.246 4.114 4.350 0.017 0.000 0.194 423 E C 2.369 178.940 176.600 -0.048 0.000 0.997 423 E CA 1.639 58.030 56.400 -0.014 0.000 0.801 423 E CB -0.149 29.557 29.700 0.010 0.000 0.746 423 E HN 0.775 nan 8.360 nan 0.000 0.450 424 Q N 0.007 119.793 119.800 -0.022 0.000 1.975 424 Q HA -0.218 4.132 4.340 0.017 0.000 0.205 424 Q C 2.294 178.248 176.000 -0.076 0.000 0.990 424 Q CA 1.476 57.263 55.803 -0.028 0.000 0.845 424 Q CB -0.283 28.518 28.738 0.105 0.000 0.913 424 Q HN 0.364 nan 8.270 nan 0.000 0.420 425 I N 1.207 121.727 120.570 -0.083 0.000 2.151 425 I HA -0.276 3.904 4.170 0.017 0.000 0.243 425 I C 2.539 178.587 176.117 -0.114 0.000 1.080 425 I CA 1.537 62.748 61.300 -0.147 0.000 1.339 425 I CB -1.898 35.994 38.000 -0.179 0.000 1.039 425 I HN 0.155 nan 8.210 nan 0.000 0.409 426 A N 1.134 123.905 122.820 -0.082 0.000 1.927 426 A HA -0.244 4.086 4.320 0.017 0.000 0.220 426 A C 2.461 179.999 177.584 -0.077 0.000 1.185 426 A CA 2.043 54.040 52.037 -0.067 0.000 0.639 426 A CB -0.943 18.024 19.000 -0.055 0.000 0.820 426 A HN 0.420 nan 8.150 nan 0.000 0.451 427 I N -0.438 120.076 120.570 -0.093 0.000 2.133 427 I HA -0.256 3.924 4.170 0.017 0.000 0.238 427 I C 2.448 178.507 176.117 -0.096 0.000 1.074 427 I CA 1.291 62.533 61.300 -0.097 0.000 1.342 427 I CB -0.297 37.633 38.000 -0.117 0.000 1.053 427 I HN 0.335 nan 8.210 nan 0.000 0.404 428 L N 0.277 121.418 121.223 -0.137 0.000 2.013 428 L HA -0.290 4.059 4.340 0.017 0.000 0.212 428 L C 2.539 179.351 176.870 -0.095 0.000 1.073 428 L CA 1.692 56.439 54.840 -0.155 0.000 0.753 428 L CB -0.815 41.090 42.059 -0.257 0.000 0.890 428 L HN 0.228 nan 8.230 nan 0.000 0.432 429 K N -0.306 120.044 120.400 -0.082 0.000 2.103 429 K HA -0.159 4.171 4.320 0.017 0.000 0.207 429 K C 2.302 178.903 176.600 0.002 0.000 1.048 429 K CA 1.150 57.413 56.287 -0.041 0.000 0.930 429 K CB -0.086 32.391 32.500 -0.039 0.000 0.716 429 K HN 0.234 nan 8.250 nan 0.000 0.444 430 R N 0.512 121.012 120.500 0.001 0.000 2.115 430 R HA -0.044 4.306 4.340 0.017 0.000 0.230 430 R C 2.013 178.379 176.300 0.110 0.000 1.111 430 R CA 0.857 56.992 56.100 0.058 0.000 0.976 430 R CB -0.164 30.117 30.300 -0.032 0.000 0.870 430 R HN 0.216 nan 8.270 nan 0.000 0.445 431 L N -0.243 121.007 121.223 0.045 0.000 2.610 431 L HA 0.051 4.401 4.340 0.017 0.000 0.232 431 L C 0.845 177.756 176.870 0.069 0.000 1.149 431 L CA 0.547 55.422 54.840 0.059 0.000 0.872 431 L CB 0.083 42.147 42.059 0.009 0.000 0.992 431 L HN 0.449 nan 8.230 nan 0.000 0.447 432 G N -0.777 108.054 108.800 0.050 0.000 2.165 432 G HA2 -0.219 3.751 3.960 0.017 0.000 0.226 432 G HA3 -0.219 3.751 3.960 0.017 0.000 0.226 432 G C -0.043 174.854 174.900 -0.004 0.000 1.035 432 G CA -0.233 44.895 45.100 0.046 0.000 0.744 432 G HN 0.280 nan 8.290 nan 0.000 0.501 433 C N -0.005 119.277 119.300 -0.031 0.000 2.365 433 C HA 0.808 5.277 4.460 0.017 0.000 0.349 433 C C 0.913 175.878 174.990 -0.042 0.000 1.191 433 C CA -0.834 58.150 59.018 -0.057 0.000 2.114 433 C CB 1.472 29.153 27.740 -0.098 0.000 2.367 433 C HN 0.580 nan 8.230 nan 0.000 0.530 434 R N 1.474 121.954 120.500 -0.034 0.000 2.294 434 R HA 0.618 4.968 4.340 0.017 0.000 0.319 434 R C -1.643 174.651 176.300 -0.011 0.000 0.984 434 R CA -0.165 55.926 56.100 -0.015 0.000 0.861 434 R CB 1.038 31.337 30.300 -0.002 0.000 1.104 434 R HN 0.630 nan 8.270 nan 0.000 0.451 435 V N 4.545 124.455 119.914 -0.007 0.000 2.304 435 V HA 0.290 4.420 4.120 0.017 0.000 0.278 435 V C -0.285 175.854 176.094 0.076 0.000 1.018 435 V CA -0.685 61.621 62.300 0.011 0.000 0.814 435 V CB 1.316 33.094 31.823 -0.074 0.000 1.021 435 V HN 0.804 nan 8.190 nan 0.000 0.440 436 E N 2.361 122.636 120.200 0.126 0.000 2.254 436 E HA 0.835 5.195 4.350 0.017 0.000 0.258 436 E C 0.405 177.149 176.600 0.240 0.000 1.033 436 E CA 0.189 56.674 56.400 0.142 0.000 0.893 436 E CB 1.775 31.529 29.700 0.090 0.000 1.204 436 E HN 1.059 nan 8.360 nan 0.000 0.425 437 G N 0.624 109.520 108.800 0.161 0.000 2.690 437 G HA2 -0.176 3.794 3.960 0.017 0.000 0.686 437 G HA3 -0.176 3.794 3.960 0.017 0.000 0.686 437 G C -0.048 174.907 174.900 0.092 0.000 1.277 437 G CA -0.389 44.764 45.100 0.089 0.000 0.799 437 G HN 0.472 nan 8.290 nan 0.000 0.613 438 E N -0.010 120.139 120.200 -0.086 0.000 2.431 438 E HA 0.463 4.822 4.350 0.017 0.000 0.200 438 E C 1.348 177.800 176.600 -0.247 0.000 0.995 438 E CA 2.033 58.401 56.400 -0.054 0.000 0.915 438 E CB 0.208 29.889 29.700 -0.033 0.000 0.930 438 E HN 2.267 nan 8.360 nan 0.000 0.496 439 G N 0.504 108.870 108.800 -0.725 0.000 2.459 439 G HA2 -0.095 3.875 3.960 0.017 0.000 0.685 439 G HA3 -0.095 3.875 3.960 0.017 0.000 0.685 439 G C -2.086 172.588 174.900 -0.378 0.000 1.303 439 G CA -0.310 44.307 45.100 -0.804 0.000 0.907 439 G HN 0.016 nan 8.290 nan 0.000 0.632 440 P HA 0.170 nan 4.420 nan 0.000 0.235 440 P C 0.794 177.980 177.300 -0.190 0.000 1.177 440 P CA 1.352 64.346 63.100 -0.177 0.000 0.785 440 P CB 0.492 32.152 31.700 -0.066 0.000 0.885 441 T N -0.495 113.912 114.554 -0.245 0.000 2.779 441 T HA 0.442 4.802 4.350 0.017 0.000 0.280 441 T C -1.074 173.527 174.700 -0.166 0.000 0.987 441 T CA -0.521 61.517 62.100 -0.103 0.000 0.966 441 T CB 0.358 69.189 68.868 -0.061 0.000 0.933 441 T HN -0.204 nan 8.240 nan 0.000 0.442 442 Y N 2.470 122.834 120.300 0.105 0.000 2.534 442 Y HA 0.585 5.145 4.550 0.016 0.000 0.329 442 Y C 1.009 176.982 175.900 0.122 0.000 1.154 442 Y CA -1.228 56.947 58.100 0.126 0.000 1.192 442 Y CB 1.319 39.888 38.460 0.181 0.000 1.275 442 Y HN 0.449 nan 8.280 nan 0.000 0.491 443 R N 1.385 122.050 120.500 0.274 0.000 2.215 443 R HA 0.502 4.852 4.340 0.017 0.000 0.337 443 R C -1.606 174.779 176.300 0.143 0.000 1.010 443 R CA -0.522 55.675 56.100 0.163 0.000 0.871 443 R CB 0.625 30.988 30.300 0.104 0.000 1.134 443 R HN 0.300 nan 8.270 nan 0.000 0.477 444 V N 3.146 123.128 119.914 0.114 0.000 2.378 444 V HA 0.238 4.368 4.120 0.017 0.000 0.288 444 V C -0.012 176.087 176.094 0.009 0.000 1.016 444 V CA -0.621 61.700 62.300 0.035 0.000 0.840 444 V CB 1.827 33.629 31.823 -0.035 0.000 0.994 444 V HN 0.697 nan 8.190 nan 0.000 0.431 445 T N 7.908 122.459 114.554 -0.006 0.000 2.756 445 T HA 0.407 4.766 4.350 0.017 0.000 0.290 445 T C -2.454 172.220 174.700 -0.044 0.000 0.985 445 T CA -1.196 60.894 62.100 -0.016 0.000 0.955 445 T CB 1.588 70.452 68.868 -0.007 0.000 0.930 445 T HN 0.467 nan 8.240 nan 0.000 0.451 446 P HA 0.301 nan 4.420 nan 0.000 0.274 446 P C -2.685 174.540 177.300 -0.124 0.000 1.237 446 P CA -1.759 61.282 63.100 -0.098 0.000 0.793 446 P CB -0.131 31.507 31.700 -0.102 0.000 0.977 447 P HA 0.021 nan 4.420 nan 0.000 0.274 447 P C 1.043 178.157 177.300 -0.310 0.000 1.237 447 P CA -0.058 62.899 63.100 -0.238 0.000 0.793 447 P CB 0.328 31.837 31.700 -0.317 0.000 0.977 448 S N 0.608 116.207 115.700 -0.169 0.000 2.423 448 S HA -0.189 4.291 4.470 0.017 0.000 0.231 448 S C 1.676 176.212 174.600 -0.108 0.000 1.014 448 S CA 0.771 58.908 58.200 -0.105 0.000 0.965 448 S CB -1.444 61.745 63.200 -0.019 0.000 0.785 448 S HN 0.661 nan 8.310 nan 0.000 0.495 449 H N 0.385 119.445 119.070 -0.017 0.000 2.545 449 H HA 0.190 4.756 4.556 0.016 0.000 0.282 449 H C 0.087 175.403 175.328 -0.020 0.000 1.020 449 H CA 0.244 56.278 56.048 -0.024 0.000 1.243 449 H CB -0.344 29.393 29.762 -0.041 0.000 1.377 449 H HN 0.151 nan 8.280 nan 0.000 0.581 450 R N 1.782 122.065 120.500 -0.362 0.000 2.235 450 R HA 0.219 4.569 4.340 0.017 0.000 0.338 450 R C 1.040 177.283 176.300 -0.095 0.000 1.087 450 R CA -0.234 55.757 56.100 -0.182 0.000 0.948 450 R CB 0.564 30.715 30.300 -0.248 0.000 1.099 450 R HN 0.382 nan 8.270 nan 0.000 0.483 451 L N 0.887 122.090 121.223 -0.033 0.000 2.477 451 L HA 0.037 4.386 4.340 0.017 0.000 0.220 451 L C 1.464 178.329 176.870 -0.008 0.000 1.106 451 L CA 0.300 55.130 54.840 -0.016 0.000 0.851 451 L CB -0.136 41.925 42.059 0.004 0.000 0.994 451 L HN 0.399 nan 8.230 nan 0.000 0.462 452 D N 1.026 121.423 120.400 -0.005 0.000 2.347 452 D HA -0.078 4.572 4.640 0.017 0.000 0.215 452 D C 0.866 177.165 176.300 -0.001 0.000 0.976 452 D CA 0.392 54.393 54.000 0.002 0.000 0.884 452 D CB 0.113 40.918 40.800 0.009 0.000 0.915 452 D HN 0.305 nan 8.370 nan 0.000 0.526 453 L N 1.384 122.597 121.223 -0.017 0.000 2.315 453 L HA 0.317 4.667 4.340 0.017 0.000 0.278 453 L C 1.190 178.054 176.870 -0.009 0.000 1.088 453 L CA -0.410 54.420 54.840 -0.017 0.000 0.899 453 L CB 0.910 42.942 42.059 -0.045 0.000 1.277 453 L HN -0.171 nan 8.230 nan 0.000 0.431 454 R N 1.944 122.451 120.500 0.011 0.000 2.302 454 R HA 0.395 4.745 4.340 0.017 0.000 0.187 454 R C 0.431 176.753 176.300 0.037 0.000 0.904 454 R CA 0.348 56.459 56.100 0.018 0.000 1.105 454 R CB 0.474 30.784 30.300 0.017 0.000 1.239 454 R HN 0.375 nan 8.270 nan 0.000 0.620 455 L N 0.642 121.896 121.223 0.052 0.000 2.416 455 L HA 0.313 4.663 4.340 0.017 0.000 0.263 455 L C 1.824 178.768 176.870 0.125 0.000 1.065 455 L CA -0.421 54.466 54.840 0.078 0.000 0.798 455 L CB 0.828 42.932 42.059 0.076 0.000 1.267 455 L HN 0.100 nan 8.230 nan 0.000 0.467 456 E N 0.263 120.564 120.200 0.168 0.000 2.110 456 E HA -0.215 4.145 4.350 0.017 0.000 0.193 456 E C 1.430 178.223 176.600 0.322 0.000 0.988 456 E CA 1.471 58.044 56.400 0.288 0.000 0.804 456 E CB 0.354 30.214 29.700 0.266 0.000 0.745 456 E HN 0.648 nan 8.360 nan 0.000 0.458 457 E N 1.013 121.364 120.200 0.250 0.000 2.106 457 E HA -0.168 4.192 4.350 0.017 0.000 0.192 457 E C 1.704 178.388 176.600 0.140 0.000 0.984 457 E CA 1.278 57.799 56.400 0.202 0.000 0.806 457 E CB -0.155 29.641 29.700 0.161 0.000 0.750 457 E HN 0.304 nan 8.360 nan 0.000 0.458 458 D N -0.084 120.383 120.400 0.111 0.000 2.149 458 D HA -0.146 4.504 4.640 0.017 0.000 0.198 458 D C 1.723 178.060 176.300 0.061 0.000 0.990 458 D CA 0.723 54.764 54.000 0.070 0.000 0.839 458 D CB -0.058 40.770 40.800 0.046 0.000 0.948 458 D HN 0.095 nan 8.370 nan 0.000 0.460 459 L N 0.377 121.652 121.223 0.086 0.000 2.093 459 L HA -0.111 4.238 4.340 0.017 0.000 0.208 459 L C 2.474 179.397 176.870 0.089 0.000 1.085 459 L CA 0.903 55.752 54.840 0.016 0.000 0.755 459 L CB -0.643 41.408 42.059 -0.014 0.000 0.904 459 L HN -0.080 nan 8.230 nan 0.000 0.435 460 V N -0.432 119.621 119.914 0.232 0.000 2.307 460 V HA -0.291 3.839 4.120 0.017 0.000 0.245 460 V C 2.479 178.640 176.094 0.111 0.000 1.045 460 V CA 1.650 64.073 62.300 0.205 0.000 1.024 460 V CB -0.632 31.263 31.823 0.119 0.000 0.651 460 V HN 0.590 nan 8.190 nan 0.000 0.449 461 E N 0.241 120.497 120.200 0.094 0.000 2.208 461 E HA -0.302 4.058 4.350 0.017 0.000 0.202 461 E C 1.983 178.651 176.600 0.114 0.000 1.014 461 E CA 1.841 58.309 56.400 0.114 0.000 0.819 461 E CB -0.091 29.668 29.700 0.098 0.000 0.735 461 E HN 0.627 nan 8.360 nan 0.000 0.469 462 E N 0.321 120.554 120.200 0.055 0.000 2.028 462 E HA -0.132 4.227 4.350 0.017 0.000 0.191 462 E C 2.393 178.989 176.600 -0.008 0.000 0.988 462 E CA 1.295 57.700 56.400 0.009 0.000 0.799 462 E CB -0.489 29.186 29.700 -0.043 0.000 0.755 462 E HN 0.261 nan 8.360 nan 0.000 0.447 463 V N 2.093 121.996 119.914 -0.017 0.000 2.392 463 V HA -0.286 3.844 4.120 0.017 0.000 0.249 463 V C 2.436 178.477 176.094 -0.088 0.000 1.059 463 V CA 1.781 64.031 62.300 -0.084 0.000 1.051 463 V CB -0.990 30.809 31.823 -0.040 0.000 0.658 463 V HN 0.247 nan 8.190 nan 0.000 0.455 464 A N 1.697 124.549 122.820 0.054 0.000 1.834 464 A HA -0.279 4.051 4.320 0.017 0.000 0.216 464 A C 2.372 180.110 177.584 0.256 0.000 1.203 464 A CA 2.461 54.605 52.037 0.179 0.000 0.621 464 A CB -0.671 18.471 19.000 0.235 0.000 0.841 464 A HN 0.670 nan 8.150 nan 0.000 0.446 465 R N -0.797 119.839 120.500 0.227 0.000 2.105 465 R HA -0.096 4.254 4.340 0.017 0.000 0.239 465 R C 1.769 178.059 176.300 -0.017 0.000 1.135 465 R CA 1.688 57.783 56.100 -0.008 0.000 0.967 465 R CB -0.712 29.504 30.300 -0.140 0.000 0.861 465 R HN 0.405 nan 8.270 nan 0.000 0.442 466 I N 1.640 122.199 120.570 -0.019 0.000 2.202 466 I HA -0.177 4.003 4.170 0.017 0.000 0.242 466 I C 2.534 178.621 176.117 -0.050 0.000 1.091 466 I CA 1.354 62.632 61.300 -0.038 0.000 1.368 466 I CB -1.140 36.824 38.000 -0.060 0.000 1.058 466 I HN 0.255 nan 8.210 nan 0.000 0.410 467 Q N 0.654 120.397 119.800 -0.095 0.000 2.167 467 Q HA 0.056 4.406 4.340 0.017 0.000 0.202 467 Q C 0.833 176.849 176.000 0.026 0.000 0.970 467 Q CA 0.992 56.729 55.803 -0.111 0.000 0.855 467 Q CB -0.096 28.423 28.738 -0.366 0.000 0.911 467 Q HN 0.617 nan 8.270 nan 0.000 0.438 468 G N -0.443 108.406 108.800 0.082 0.000 3.363 468 G HA2 -0.156 3.814 3.960 0.017 0.000 0.685 468 G HA3 -0.156 3.814 3.960 0.017 0.000 0.685 468 G C -0.320 174.733 174.900 0.255 0.000 1.199 468 G CA -0.531 44.644 45.100 0.124 0.000 0.946 468 G HN 0.008 nan 8.290 nan 0.000 0.558 469 Y N 1.255 121.573 120.300 0.031 0.000 2.207 469 Y HA -0.172 4.388 4.550 0.016 0.000 0.287 469 Y C 2.855 178.779 175.900 0.039 0.000 1.156 469 Y CA 2.003 60.123 58.100 0.034 0.000 1.182 469 Y CB -0.019 38.449 38.460 0.013 0.000 0.979 469 Y HN 0.845 nan 8.280 nan 0.000 0.521 470 E N 0.132 120.450 120.200 0.196 0.000 2.265 470 E HA -0.181 4.179 4.350 0.017 0.000 0.196 470 E C 1.535 178.190 176.600 0.092 0.000 0.996 470 E CA 1.724 58.192 56.400 0.113 0.000 0.832 470 E CB -1.014 28.737 29.700 0.086 0.000 0.756 470 E HN 0.523 nan 8.360 nan 0.000 0.491 471 T N -1.038 113.591 114.554 0.124 0.000 3.148 471 T HA 0.174 4.534 4.350 0.017 0.000 0.253 471 T C 1.033 175.782 174.700 0.083 0.000 1.134 471 T CA -0.263 61.909 62.100 0.120 0.000 1.051 471 T CB -0.484 68.503 68.868 0.199 0.000 0.959 471 T HN 0.050 nan 8.240 nan 0.000 0.525 472 I N 4.140 124.745 120.570 0.059 0.000 2.352 472 I HA 0.312 4.491 4.170 0.017 0.000 0.290 472 I C -1.633 174.466 176.117 -0.030 0.000 1.036 472 I CA -2.577 58.716 61.300 -0.012 0.000 1.336 472 I CB 1.110 39.080 38.000 -0.050 0.000 1.407 472 I HN 0.127 nan 8.210 nan 0.000 0.497 473 P HA 0.121 nan 4.420 nan 0.000 0.272 473 P C -0.956 176.319 177.300 -0.042 0.000 1.254 473 P CA -0.399 62.674 63.100 -0.046 0.000 0.795 473 P CB 0.763 32.426 31.700 -0.061 0.000 1.022 474 L N -0.044 121.158 121.223 -0.034 0.000 2.317 474 L HA 0.687 5.036 4.340 0.017 0.000 0.281 474 L C 0.277 177.127 176.870 -0.033 0.000 1.024 474 L CA -0.118 54.703 54.840 -0.031 0.000 0.810 474 L CB 1.023 43.068 42.059 -0.023 0.000 1.240 474 L HN 0.645 nan 8.230 nan 0.000 0.427 475 A N 3.730 126.530 122.820 -0.033 0.000 2.602 475 A HA 0.902 5.232 4.320 0.017 0.000 0.290 475 A C -1.850 175.716 177.584 -0.030 0.000 1.114 475 A CA -0.538 51.480 52.037 -0.032 0.000 0.683 475 A CB 1.425 20.406 19.000 -0.032 0.000 1.281 475 A HN 0.510 nan 8.150 nan 0.000 0.416 476 L N 1.825 123.028 121.223 -0.032 0.000 2.410 476 L HA 0.572 4.922 4.340 0.017 0.000 0.270 476 L C -2.139 174.709 176.870 -0.037 0.000 0.983 476 L CA -1.498 53.318 54.840 -0.039 0.000 0.822 476 L CB 2.140 44.167 42.059 -0.052 0.000 1.285 476 L HN 0.730 nan 8.230 nan 0.000 0.409 477 P HA 0.664 nan 4.420 nan 0.000 0.284 477 P C -1.411 175.821 177.300 -0.113 0.000 1.258 477 P CA -0.507 62.594 63.100 0.002 0.000 0.824 477 P CB 2.067 33.836 31.700 0.115 0.000 1.038 478 A N 2.260 125.027 122.820 -0.090 0.000 2.375 478 A HA 0.756 5.086 4.320 0.017 0.000 0.295 478 A C -1.074 176.420 177.584 -0.149 0.000 1.066 478 A CA -0.563 51.328 52.037 -0.244 0.000 0.722 478 A CB 0.655 19.546 19.000 -0.181 0.000 1.206 478 A HN 0.563 nan 8.150 nan 0.000 0.435 479 F N -0.646 119.187 119.950 -0.195 0.000 2.719 479 F HA 0.746 5.283 4.527 0.017 0.000 0.309 479 F C -1.806 173.865 175.800 -0.215 0.000 1.138 479 F CA -2.160 55.743 58.000 -0.161 0.000 0.943 479 F CB 0.551 39.534 39.000 -0.027 0.000 1.304 479 F HN 0.302 nan 8.300 nan 0.000 0.445 480 F N 3.355 123.486 119.950 0.301 0.000 2.421 480 F HA 0.514 5.051 4.527 0.016 0.000 0.358 480 F C -1.835 174.167 175.800 0.336 0.000 1.115 480 F CA -1.808 56.313 58.000 0.200 0.000 1.160 480 F CB 0.358 39.423 39.000 0.108 0.000 1.123 480 F HN 0.225 nan 8.300 nan 0.000 0.508 481 P HA 0.093 nan 4.420 nan 0.000 0.266 481 P C -0.465 176.971 177.300 0.226 0.000 1.195 481 P CA -0.305 63.029 63.100 0.389 0.000 0.768 481 P CB 0.647 32.513 31.700 0.277 0.000 0.838 482 A N 5.823 128.723 122.820 0.133 0.000 2.520 482 A HA 0.163 4.493 4.320 0.017 0.000 0.235 482 A C -0.805 176.825 177.584 0.077 0.000 1.065 482 A CA -0.758 51.325 52.037 0.076 0.000 0.764 482 A CB -0.984 18.032 19.000 0.027 0.000 1.002 482 A HN 0.444 nan 8.150 nan 0.000 0.502 483 P HA -0.237 nan 4.420 nan 0.000 0.216 483 P C 0.708 178.033 177.300 0.041 0.000 1.157 483 P CA 1.811 64.940 63.100 0.048 0.000 0.880 483 P CB -0.267 31.451 31.700 0.030 0.000 0.791 484 D N -1.266 119.153 120.400 0.033 0.000 2.403 484 D HA -0.124 4.526 4.640 0.017 0.000 0.227 484 D C 0.959 177.279 176.300 0.033 0.000 0.995 484 D CA 0.536 54.553 54.000 0.028 0.000 0.928 484 D CB -0.732 40.080 40.800 0.020 0.000 0.887 484 D HN 0.278 nan 8.370 nan 0.000 0.529 485 N N 0.285 119.012 118.700 0.045 0.000 2.325 485 N HA 0.003 4.753 4.740 0.017 0.000 0.182 485 N C 1.528 177.069 175.510 0.050 0.000 1.088 485 N CA -0.274 52.806 53.050 0.049 0.000 0.879 485 N CB 0.265 38.792 38.487 0.067 0.000 0.983 485 N HN -0.016 nan 8.380 nan 0.000 0.471 486 R N 1.453 121.983 120.500 0.050 0.000 2.196 486 R HA -0.130 4.220 4.340 0.017 0.000 0.234 486 R C 2.118 178.442 176.300 0.040 0.000 1.113 486 R CA 1.917 58.045 56.100 0.047 0.000 0.899 486 R CB -1.434 28.892 30.300 0.042 0.000 0.863 486 R HN 0.298 nan 8.270 nan 0.000 0.430 487 G N -0.442 108.379 108.800 0.035 0.000 2.572 487 G HA2 -0.044 3.926 3.960 0.017 0.000 0.216 487 G HA3 -0.044 3.926 3.960 0.017 0.000 0.216 487 G C 1.537 176.459 174.900 0.037 0.000 1.133 487 G CA 0.572 45.692 45.100 0.033 0.000 0.791 487 G HN 0.163 nan 8.290 nan 0.000 0.538 488 V N 0.947 120.883 119.914 0.036 0.000 2.314 488 V HA -0.438 3.692 4.120 0.017 0.000 0.256 488 V C 2.592 178.715 176.094 0.048 0.000 1.090 488 V CA 2.716 65.038 62.300 0.036 0.000 1.105 488 V CB -0.556 31.285 31.823 0.031 0.000 0.785 488 V HN 0.559 nan 8.190 nan 0.000 0.464 489 E N -1.014 119.219 120.200 0.055 0.000 2.333 489 E HA -0.142 4.217 4.350 0.017 0.000 0.198 489 E C 2.224 178.889 176.600 0.108 0.000 1.007 489 E CA 0.782 57.236 56.400 0.091 0.000 0.845 489 E CB -0.261 29.491 29.700 0.086 0.000 0.766 489 E HN 0.695 nan 8.360 nan 0.000 0.507 490 A N 2.081 124.942 122.820 0.068 0.000 1.882 490 A HA -0.234 4.096 4.320 0.017 0.000 0.220 490 A C -0.302 177.313 177.584 0.052 0.000 1.253 490 A CA 2.022 54.090 52.037 0.051 0.000 0.664 490 A CB -1.823 17.198 19.000 0.036 0.000 0.838 490 A HN 0.192 nan 8.150 nan 0.000 0.460 491 P HA -0.209 nan 4.420 nan 0.000 0.214 491 P C 1.588 178.927 177.300 0.064 0.000 1.163 491 P CA 1.580 64.713 63.100 0.055 0.000 0.889 491 P CB -0.298 31.440 31.700 0.064 0.000 0.790 492 Y N 1.037 121.336 120.300 -0.001 0.000 2.081 492 Y HA -0.271 4.289 4.550 0.017 0.000 0.280 492 Y C 2.421 178.319 175.900 -0.002 0.000 1.163 492 Y CA 1.768 59.867 58.100 -0.002 0.000 1.135 492 Y CB -0.716 37.744 38.460 0.000 0.000 0.970 492 Y HN -0.220 nan 8.280 nan 0.000 0.498 493 R N -0.080 120.401 120.500 -0.032 0.000 2.083 493 R HA -0.213 4.137 4.340 0.017 0.000 0.237 493 R C 2.273 178.493 176.300 -0.134 0.000 1.137 493 R CA 1.713 57.753 56.100 -0.100 0.000 0.951 493 R CB -0.431 29.874 30.300 0.009 0.000 0.851 493 R HN 0.172 nan 8.270 nan 0.000 0.434 494 K N 1.519 121.871 120.400 -0.080 0.000 2.015 494 K HA -0.238 4.092 4.320 0.017 0.000 0.216 494 K C 1.812 178.344 176.600 -0.113 0.000 1.052 494 K CA 2.097 58.339 56.287 -0.076 0.000 0.937 494 K CB -0.414 32.061 32.500 -0.042 0.000 0.719 494 K HN 0.173 nan 8.250 nan 0.000 0.446 495 E N -0.631 119.487 120.200 -0.136 0.000 2.070 495 E HA -0.257 4.103 4.350 0.017 0.000 0.197 495 E C 2.045 178.541 176.600 -0.173 0.000 1.004 495 E CA 1.531 57.844 56.400 -0.145 0.000 0.805 495 E CB -0.027 29.580 29.700 -0.155 0.000 0.744 495 E HN 0.328 nan 8.360 nan 0.000 0.451 496 Q N 0.127 119.761 119.800 -0.275 0.000 2.084 496 Q HA -0.146 4.204 4.340 0.017 0.000 0.202 496 Q C 2.218 178.137 176.000 -0.134 0.000 0.978 496 Q CA 1.008 56.674 55.803 -0.227 0.000 0.844 496 Q CB -0.368 28.178 28.738 -0.320 0.000 0.898 496 Q HN 0.149 nan 8.270 nan 0.000 0.426 497 R N 0.662 121.087 120.500 -0.126 0.000 2.091 497 R HA -0.120 4.230 4.340 0.017 0.000 0.238 497 R C 2.252 178.484 176.300 -0.113 0.000 1.136 497 R CA 0.740 56.780 56.100 -0.101 0.000 0.959 497 R CB -1.041 29.205 30.300 -0.090 0.000 0.856 497 R HN 0.278 nan 8.270 nan 0.000 0.437 498 L N 0.954 122.102 121.223 -0.125 0.000 1.976 498 L HA -0.147 4.203 4.340 0.017 0.000 0.209 498 L C 2.352 179.143 176.870 -0.132 0.000 1.071 498 L CA 1.905 56.655 54.840 -0.150 0.000 0.746 498 L CB -0.761 41.215 42.059 -0.140 0.000 0.890 498 L HN -0.051 nan 8.230 nan 0.000 0.432 499 R N -0.105 120.363 120.500 -0.053 0.000 2.133 499 R HA -0.245 4.105 4.340 0.017 0.000 0.245 499 R C 2.313 178.610 176.300 -0.006 0.000 1.137 499 R CA 2.263 58.404 56.100 0.068 0.000 0.947 499 R CB -0.416 29.936 30.300 0.087 0.000 0.865 499 R HN 0.589 nan 8.270 nan 0.000 0.437 500 E N -1.031 119.145 120.200 -0.040 0.000 2.038 500 E HA -0.187 4.173 4.350 0.017 0.000 0.195 500 E C 1.888 178.431 176.600 -0.094 0.000 1.000 500 E CA 1.840 58.212 56.400 -0.047 0.000 0.803 500 E CB -0.014 29.658 29.700 -0.047 0.000 0.750 500 E HN 0.139 nan 8.360 nan 0.000 0.448 501 V N 1.262 121.096 119.914 -0.134 0.000 2.324 501 V HA -0.316 3.814 4.120 0.017 0.000 0.250 501 V C 2.303 178.273 176.094 -0.206 0.000 1.060 501 V CA 1.703 63.907 62.300 -0.160 0.000 1.042 501 V CB -0.677 31.027 31.823 -0.199 0.000 0.650 501 V HN 0.261 nan 8.190 nan 0.000 0.450 502 L N 1.154 122.165 121.223 -0.354 0.000 1.970 502 L HA -0.201 4.149 4.340 0.017 0.000 0.212 502 L C 2.808 179.498 176.870 -0.301 0.000 1.071 502 L CA 2.149 56.639 54.840 -0.584 0.000 0.751 502 L CB -1.054 40.263 42.059 -1.237 0.000 0.889 502 L HN 0.539 nan 8.230 nan 0.000 0.432 503 S N -0.158 115.385 115.700 -0.261 0.000 2.420 503 S HA -0.165 4.315 4.470 0.017 0.000 0.237 503 S C 1.972 176.587 174.600 0.026 0.000 1.023 503 S CA 1.159 59.346 58.200 -0.022 0.000 0.991 503 S CB -1.158 62.078 63.200 0.061 0.000 0.792 503 S HN 0.507 nan 8.310 nan 0.000 0.488 504 G N 0.792 109.586 108.800 -0.010 0.000 2.494 504 G HA2 0.098 4.067 3.960 0.017 0.000 0.216 504 G HA3 0.098 4.067 3.960 0.017 0.000 0.216 504 G C 1.233 176.159 174.900 0.043 0.000 1.140 504 G CA 0.442 45.546 45.100 0.008 0.000 0.801 504 G HN 0.446 nan 8.290 nan 0.000 0.536 505 L N 0.481 121.755 121.223 0.086 0.000 2.313 505 L HA 0.331 4.681 4.340 0.017 0.000 0.214 505 L C 1.825 178.871 176.870 0.294 0.000 1.119 505 L CA 1.590 56.544 54.840 0.191 0.000 0.809 505 L CB 0.049 42.278 42.059 0.283 0.000 0.933 505 L HN 0.372 nan 8.230 nan 0.000 0.449 506 G N -2.746 106.200 108.800 0.243 0.000 2.174 506 G HA2 -0.169 3.801 3.960 0.017 0.000 0.140 506 G HA3 -0.169 3.801 3.960 0.017 0.000 0.140 506 G C -0.154 174.685 174.900 -0.102 0.000 1.031 506 G CA -0.406 44.742 45.100 0.081 0.000 0.728 506 G HN 0.083 nan 8.290 nan 0.000 0.496 507 F N 1.116 121.014 119.950 -0.086 0.000 2.408 507 F HA 0.705 5.243 4.527 0.017 0.000 0.344 507 F C 0.549 176.431 175.800 0.136 0.000 1.112 507 F CA -1.257 56.712 58.000 -0.051 0.000 1.096 507 F CB 1.850 40.683 39.000 -0.278 0.000 1.129 507 F HN 0.036 nan 8.300 nan 0.000 0.486 508 Q N 2.914 122.929 119.800 0.359 0.000 2.288 508 Q HA 0.154 4.504 4.340 0.017 0.000 0.258 508 Q C -0.353 175.917 176.000 0.449 0.000 0.957 508 Q CA -0.280 55.714 55.803 0.319 0.000 0.919 508 Q CB 0.861 29.696 28.738 0.161 0.000 1.185 508 Q HN 0.675 nan 8.270 nan 0.000 0.408 509 E N 2.068 122.489 120.200 0.369 0.000 2.366 509 E HA 0.480 4.840 4.350 0.017 0.000 0.266 509 E C -1.227 175.277 176.600 -0.160 0.000 1.051 509 E CA -0.588 55.735 56.400 -0.129 0.000 0.884 509 E CB 0.743 30.373 29.700 -0.117 0.000 1.006 509 E HN 0.410 nan 8.360 nan 0.000 0.417 510 V N 3.334 123.104 119.914 -0.239 0.000 2.971 510 V HA 0.306 4.436 4.120 0.017 0.000 0.309 510 V C -1.415 174.757 176.094 0.129 0.000 1.130 510 V CA -0.993 61.266 62.300 -0.069 0.000 0.964 510 V CB 1.530 33.331 31.823 -0.038 0.000 1.029 510 V HN 0.612 nan 8.190 nan 0.000 0.427 511 Y N 0.974 121.187 120.300 -0.144 0.000 2.328 511 Y HA 0.719 5.279 4.550 0.016 0.000 0.336 511 Y C 0.453 176.283 175.900 -0.117 0.000 0.960 511 Y CA -0.898 57.114 58.100 -0.147 0.000 1.134 511 Y CB 2.257 40.629 38.460 -0.147 0.000 1.166 511 Y HN 0.644 nan 8.280 nan 0.000 0.464 512 T N 3.811 118.355 114.554 -0.016 0.000 2.856 512 T HA 0.382 4.741 4.350 0.017 0.000 0.283 512 T C -0.770 173.908 174.700 -0.038 0.000 1.008 512 T CA -0.580 61.520 62.100 -0.000 0.000 0.997 512 T CB 0.588 69.447 68.868 -0.015 0.000 0.992 512 T HN 0.263 nan 8.240 nan 0.000 0.454 513 Y N 1.171 121.437 120.300 -0.056 0.000 2.683 513 Y HA 0.004 4.564 4.550 0.016 0.000 0.340 513 Y C 2.020 177.827 175.900 -0.155 0.000 1.245 513 Y CA 0.533 58.570 58.100 -0.105 0.000 1.485 513 Y CB 0.523 38.983 38.460 -0.000 0.000 1.328 513 Y HN 0.613 nan 8.280 nan 0.000 0.603 514 S N 1.991 117.609 115.700 -0.138 0.000 2.607 514 S HA 0.047 4.527 4.470 0.017 0.000 0.224 514 S C 0.053 174.613 174.600 -0.068 0.000 0.969 514 S CA 0.003 58.136 58.200 -0.112 0.000 0.927 514 S CB -0.361 62.764 63.200 -0.126 0.000 0.772 514 S HN 0.327 nan 8.310 nan 0.000 0.533 515 F N 1.311 121.320 119.950 0.099 0.000 2.390 515 F HA 0.554 5.091 4.527 0.016 0.000 0.307 515 F C 0.251 176.046 175.800 -0.009 0.000 1.227 515 F CA -1.148 56.866 58.000 0.023 0.000 1.179 515 F CB 0.372 39.366 39.000 -0.011 0.000 1.280 515 F HN 0.015 nan 8.300 nan 0.000 0.548 516 M N 1.165 120.895 119.600 0.217 0.000 2.413 516 M HA 0.303 4.793 4.480 0.017 0.000 0.287 516 M C -2.074 174.242 176.300 0.026 0.000 1.186 516 M CA -0.772 54.570 55.300 0.070 0.000 0.927 516 M CB 2.059 34.687 32.600 0.045 0.000 1.715 516 M HN 0.499 nan 8.290 nan 0.000 0.478 517 D N 5.793 126.195 120.400 0.003 0.000 2.347 517 D HA 0.321 4.971 4.640 0.017 0.000 0.235 517 D C -1.777 174.534 176.300 0.018 0.000 1.149 517 D CA -1.844 52.156 54.000 -0.000 0.000 0.850 517 D CB 1.593 42.400 40.800 0.011 0.000 1.061 517 D HN 0.386 nan 8.370 nan 0.000 0.487 518 P HA -0.206 nan 4.420 nan 0.000 0.217 518 P C 1.044 178.371 177.300 0.045 0.000 1.148 518 P CA 0.848 63.964 63.100 0.026 0.000 0.834 518 P CB 0.548 32.255 31.700 0.011 0.000 0.783 519 E N 0.331 120.556 120.200 0.043 0.000 2.110 519 E HA -0.171 4.189 4.350 0.017 0.000 0.193 519 E C 1.460 178.124 176.600 0.105 0.000 0.988 519 E CA 1.210 57.645 56.400 0.058 0.000 0.804 519 E CB -0.825 28.901 29.700 0.042 0.000 0.745 519 E HN 0.344 nan 8.360 nan 0.000 0.458 520 D N 0.005 120.492 120.400 0.145 0.000 2.310 520 D HA -0.070 4.580 4.640 0.017 0.000 0.212 520 D C 1.629 178.111 176.300 0.303 0.000 0.965 520 D CA 0.946 55.129 54.000 0.305 0.000 0.879 520 D CB -0.035 40.931 40.800 0.275 0.000 0.921 520 D HN 0.171 nan 8.370 nan 0.000 0.510 521 A N 0.326 123.244 122.820 0.164 0.000 2.076 521 A HA -0.204 4.126 4.320 0.017 0.000 0.220 521 A C 2.078 179.766 177.584 0.172 0.000 1.160 521 A CA 1.198 53.328 52.037 0.154 0.000 0.653 521 A CB -0.176 18.889 19.000 0.109 0.000 0.801 521 A HN 0.120 nan 8.150 nan 0.000 0.455 522 R N -1.341 119.246 120.500 0.146 0.000 2.039 522 R HA 0.097 4.447 4.340 0.017 0.000 0.218 522 R C 2.379 178.732 176.300 0.088 0.000 1.220 522 R CA 0.522 56.682 56.100 0.100 0.000 0.993 522 R CB -0.317 30.018 30.300 0.059 0.000 0.881 522 R HN 0.397 nan 8.270 nan 0.000 0.450 523 R N -0.068 120.474 120.500 0.070 0.000 2.178 523 R HA -0.166 4.184 4.340 0.017 0.000 0.257 523 R C -0.003 176.144 176.300 -0.255 0.000 1.163 523 R CA 1.371 57.410 56.100 -0.102 0.000 0.981 523 R CB -0.268 29.966 30.300 -0.110 0.000 0.878 523 R HN 0.034 nan 8.270 nan 0.000 0.454 524 F N 0.197 120.189 119.950 0.071 0.000 2.426 524 F HA 0.319 4.856 4.527 0.016 0.000 0.348 524 F C 0.284 176.185 175.800 0.168 0.000 1.124 524 F CA -1.122 56.966 58.000 0.145 0.000 1.008 524 F CB 1.289 40.384 39.000 0.159 0.000 1.139 524 F HN -0.415 nan 8.300 nan 0.000 0.452 525 R N 4.220 124.901 120.500 0.301 0.000 2.808 525 R HA 0.308 4.658 4.340 0.017 0.000 0.248 525 R C -1.294 175.178 176.300 0.287 0.000 1.539 525 R CA 0.224 56.454 56.100 0.217 0.000 1.071 525 R CB -0.891 29.479 30.300 0.117 0.000 1.172 525 R HN 0.558 nan 8.270 nan 0.000 0.579 526 L N -1.970 119.423 121.223 0.284 0.000 2.424 526 L HA 0.591 4.941 4.340 0.017 0.000 0.258 526 L C -0.523 176.481 176.870 0.223 0.000 0.995 526 L CA -1.593 53.429 54.840 0.303 0.000 0.821 526 L CB 1.537 43.799 42.059 0.337 0.000 1.383 526 L HN -0.016 nan 8.230 nan 0.000 0.410 527 D N 1.558 122.094 120.400 0.227 0.000 2.346 527 D HA 0.207 4.857 4.640 0.017 0.000 0.236 527 D C -2.201 174.192 176.300 0.156 0.000 1.259 527 D CA -0.144 53.958 54.000 0.170 0.000 0.898 527 D CB 0.036 40.937 40.800 0.169 0.000 1.178 527 D HN 0.496 nan 8.370 nan 0.000 0.457 528 P HA 0.254 nan 4.420 nan 0.000 0.279 528 P C -2.603 174.750 177.300 0.088 0.000 1.252 528 P CA -1.327 61.829 63.100 0.094 0.000 0.811 528 P CB -0.101 31.641 31.700 0.071 0.000 1.035 529 P HA 0.196 nan 4.420 nan 0.000 0.271 529 P C 0.652 177.986 177.300 0.056 0.000 1.226 529 P CA -0.040 63.100 63.100 0.067 0.000 0.765 529 P CB 0.939 32.673 31.700 0.057 0.000 0.835 530 R N 2.570 123.107 120.500 0.061 0.000 2.235 530 R HA 0.116 4.466 4.340 0.017 0.000 0.213 530 R C 0.363 176.683 176.300 0.035 0.000 1.059 530 R CA 0.550 56.681 56.100 0.050 0.000 0.997 530 R CB 0.049 30.383 30.300 0.057 0.000 0.884 530 R HN 0.501 nan 8.270 nan 0.000 0.462 531 L N 2.155 123.395 121.223 0.027 0.000 2.362 531 L HA 0.416 4.765 4.340 0.017 0.000 0.275 531 L C -0.990 175.872 176.870 -0.014 0.000 0.998 531 L CA -0.959 53.877 54.840 -0.008 0.000 0.820 531 L CB 1.941 43.968 42.059 -0.053 0.000 1.270 531 L HN -0.023 nan 8.230 nan 0.000 0.415 532 L N 3.099 124.311 121.223 -0.018 0.000 2.333 532 L HA 0.571 4.921 4.340 0.017 0.000 0.263 532 L C -0.263 176.590 176.870 -0.029 0.000 1.014 532 L CA -0.793 54.036 54.840 -0.019 0.000 0.820 532 L CB 1.967 44.018 42.059 -0.014 0.000 1.352 532 L HN 0.361 nan 8.230 nan 0.000 0.421 533 L N 1.299 122.500 121.223 -0.037 0.000 2.375 533 L HA 0.340 4.690 4.340 0.017 0.000 0.271 533 L C 1.205 178.049 176.870 -0.042 0.000 1.107 533 L CA 0.282 55.097 54.840 -0.042 0.000 0.806 533 L CB 0.743 42.758 42.059 -0.074 0.000 1.146 533 L HN 0.439 nan 8.230 nan 0.000 0.447 534 L N 1.792 122.995 121.223 -0.032 0.000 2.477 534 L HA 0.093 4.443 4.340 0.017 0.000 0.220 534 L C 0.048 176.898 176.870 -0.034 0.000 1.106 534 L CA 0.322 55.146 54.840 -0.028 0.000 0.851 534 L CB -0.116 41.933 42.059 -0.018 0.000 0.994 534 L HN 0.806 nan 8.230 nan 0.000 0.462 535 N N -1.174 117.501 118.700 -0.042 0.000 2.672 535 N HA 0.263 5.013 4.740 0.017 0.000 0.295 535 N C -2.735 172.724 175.510 -0.085 0.000 1.924 535 N CA -1.465 51.556 53.050 -0.049 0.000 0.851 535 N CB -0.282 38.187 38.487 -0.029 0.000 1.281 535 N HN -0.127 nan 8.380 nan 0.000 0.494 536 P HA 0.032 nan 4.420 nan 0.000 0.266 536 P C 1.109 178.279 177.300 -0.216 0.000 1.193 536 P CA -0.296 62.677 63.100 -0.211 0.000 0.770 536 P CB 1.299 32.884 31.700 -0.192 0.000 0.836 537 L N 0.475 121.498 121.223 -0.334 0.000 2.156 537 L HA 0.084 4.434 4.340 0.017 0.000 0.208 537 L C 0.866 177.616 176.870 -0.199 0.000 1.095 537 L CA 1.134 55.828 54.840 -0.242 0.000 0.770 537 L CB -0.186 41.698 42.059 -0.291 0.000 0.914 537 L HN 0.476 nan 8.230 nan 0.000 0.439 538 A N -1.781 120.894 122.820 -0.241 0.000 2.577 538 A HA 0.454 4.784 4.320 0.017 0.000 0.297 538 A C -2.203 175.280 177.584 -0.169 0.000 1.060 538 A CA -0.793 51.142 52.037 -0.171 0.000 0.697 538 A CB 0.689 19.594 19.000 -0.158 0.000 1.281 538 A HN -0.190 nan 8.150 nan 0.000 0.402 539 P HA -0.143 nan 4.420 nan 0.000 0.227 539 P C 0.419 177.667 177.300 -0.087 0.000 1.145 539 P CA 1.459 64.504 63.100 -0.091 0.000 0.769 539 P CB 0.240 31.904 31.700 -0.061 0.000 0.769 540 E N -0.066 120.073 120.200 -0.103 0.000 2.474 540 E HA 0.028 4.388 4.350 0.017 0.000 0.195 540 E C 0.661 177.194 176.600 -0.111 0.000 1.039 540 E CA 0.267 56.617 56.400 -0.082 0.000 0.881 540 E CB 0.091 29.749 29.700 -0.070 0.000 0.970 540 E HN 0.389 nan 8.360 nan 0.000 0.486 541 K N -0.395 119.884 120.400 -0.201 0.000 3.301 541 K HA 0.559 4.889 4.320 0.017 0.000 0.170 541 K C 0.037 176.382 176.600 -0.426 0.000 1.061 541 K CA -0.152 55.938 56.287 -0.328 0.000 0.807 541 K CB 1.220 33.373 32.500 -0.578 0.000 0.889 541 K HN 0.006 nan 8.250 nan 0.000 0.564 542 A N 0.214 122.912 122.820 -0.205 0.000 2.288 542 A HA 0.538 4.868 4.320 0.017 0.000 0.216 542 A C 0.757 178.299 177.584 -0.070 0.000 1.199 542 A CA 0.426 52.370 52.037 -0.155 0.000 0.891 542 A CB 0.355 19.292 19.000 -0.105 0.000 0.923 542 A HN 0.528 nan 8.150 nan 0.000 0.500 543 A N -0.596 122.214 122.820 -0.017 0.000 2.344 543 A HA 0.792 5.122 4.320 0.017 0.000 0.307 543 A C -0.855 176.788 177.584 0.098 0.000 1.151 543 A CA -0.547 51.508 52.037 0.029 0.000 0.842 543 A CB 0.763 19.780 19.000 0.029 0.000 1.350 543 A HN 0.239 nan 8.150 nan 0.000 0.459 544 L N 1.241 122.506 121.223 0.069 0.000 2.313 544 L HA 0.423 4.773 4.340 0.017 0.000 0.283 544 L C 0.155 177.126 176.870 0.169 0.000 1.013 544 L CA -0.919 53.971 54.840 0.084 0.000 0.816 544 L CB 1.603 43.563 42.059 -0.165 0.000 1.236 544 L HN 0.968 nan 8.230 nan 0.000 0.419 545 R N 0.301 120.907 120.500 0.177 0.000 2.500 545 R HA -0.036 4.314 4.340 0.017 0.000 0.281 545 R C 0.763 177.093 176.300 0.051 0.000 0.953 545 R CA 0.640 56.785 56.100 0.076 0.000 1.108 545 R CB -0.291 30.013 30.300 0.007 0.000 0.901 545 R HN 0.757 nan 8.270 nan 0.000 0.410 546 T N -1.895 112.642 114.554 -0.028 0.000 3.015 546 T HA 0.106 4.466 4.350 0.017 0.000 0.250 546 T C 0.087 174.575 174.700 -0.355 0.000 1.057 546 T CA 0.062 62.090 62.100 -0.120 0.000 1.066 546 T CB -0.056 68.813 68.868 0.003 0.000 0.959 546 T HN 0.736 nan 8.240 nan 0.000 0.488 547 H N -1.102 117.848 119.070 -0.200 0.000 2.865 547 H HA 0.641 5.207 4.556 0.017 0.000 0.372 547 H C -0.106 175.033 175.328 -0.316 0.000 1.173 547 H CA -0.952 54.951 56.048 -0.243 0.000 1.147 547 H CB 1.883 31.392 29.762 -0.422 0.000 1.805 547 H HN -0.117 nan 8.280 nan 0.000 0.553 548 L N 0.883 122.064 121.223 -0.070 0.000 2.286 548 L HA 0.027 4.377 4.340 0.017 0.000 0.203 548 L C 1.883 178.663 176.870 -0.149 0.000 1.068 548 L CA 0.912 55.687 54.840 -0.109 0.000 0.811 548 L CB -0.717 41.325 42.059 -0.028 0.000 0.989 548 L HN 0.706 nan 8.230 nan 0.000 0.467 549 F N 0.332 120.243 119.950 -0.065 0.000 2.161 549 F HA -0.050 4.487 4.527 0.017 0.000 0.300 549 F C -0.656 175.054 175.800 -0.151 0.000 1.089 549 F CA 0.624 58.563 58.000 -0.101 0.000 1.282 549 F CB -2.727 36.235 39.000 -0.063 0.000 1.010 549 F HN 0.126 nan 8.300 nan 0.000 0.485 550 P HA -0.094 nan 4.420 nan 0.000 0.216 550 P C 2.070 179.098 177.300 -0.454 0.000 1.153 550 P CA 2.471 64.978 63.100 -0.989 0.000 0.858 550 P CB -0.518 30.296 31.700 -1.477 0.000 0.789 551 G N -0.495 108.104 108.800 -0.335 0.000 2.408 551 G HA2 -0.201 3.769 3.960 0.017 0.000 0.217 551 G HA3 -0.201 3.769 3.960 0.017 0.000 0.217 551 G C 1.540 176.407 174.900 -0.054 0.000 1.150 551 G CA 0.412 45.422 45.100 -0.150 0.000 0.776 551 G HN 0.211 nan 8.290 nan 0.000 0.542 552 L N 0.305 121.509 121.223 -0.032 0.000 1.994 552 L HA -0.120 4.230 4.340 0.017 0.000 0.208 552 L C 3.073 179.969 176.870 0.043 0.000 1.071 552 L CA 0.919 55.768 54.840 0.015 0.000 0.745 552 L CB -0.666 41.412 42.059 0.032 0.000 0.892 552 L HN 0.113 nan 8.230 nan 0.000 0.431 553 V N -0.463 119.508 119.914 0.096 0.000 2.282 553 V HA -0.324 3.806 4.120 0.017 0.000 0.249 553 V C 2.658 178.808 176.094 0.093 0.000 1.057 553 V CA 1.716 64.094 62.300 0.130 0.000 1.032 553 V CB -0.826 31.171 31.823 0.291 0.000 0.645 553 V HN 0.437 nan 8.190 nan 0.000 0.447 554 R N -0.237 120.323 120.500 0.099 0.000 2.127 554 R HA -0.107 4.243 4.340 0.017 0.000 0.238 554 R C 2.187 178.510 176.300 0.038 0.000 1.134 554 R CA 1.284 57.435 56.100 0.084 0.000 0.975 554 R CB -0.635 29.703 30.300 0.063 0.000 0.865 554 R HN 0.510 nan 8.270 nan 0.000 0.447 555 V N 1.334 121.263 119.914 0.024 0.000 2.379 555 V HA -0.212 3.918 4.120 0.017 0.000 0.245 555 V C 2.367 178.456 176.094 -0.008 0.000 1.044 555 V CA 1.088 63.397 62.300 0.015 0.000 1.036 555 V CB -0.576 31.258 31.823 0.019 0.000 0.664 555 V HN 0.189 nan 8.190 nan 0.000 0.453 556 L N 1.051 122.257 121.223 -0.028 0.000 1.963 556 L HA -0.250 4.100 4.340 0.017 0.000 0.220 556 L C 2.404 179.201 176.870 -0.122 0.000 1.076 556 L CA 2.508 57.285 54.840 -0.105 0.000 0.772 556 L CB -1.244 40.723 42.059 -0.154 0.000 0.892 556 L HN 0.352 nan 8.230 nan 0.000 0.435 557 K N -0.007 120.340 120.400 -0.087 0.000 1.990 557 K HA -0.301 4.029 4.320 0.017 0.000 0.225 557 K C 1.808 178.384 176.600 -0.040 0.000 1.053 557 K CA 2.667 58.914 56.287 -0.066 0.000 0.982 557 K CB -0.464 32.025 32.500 -0.020 0.000 0.734 557 K HN 0.692 nan 8.250 nan 0.000 0.448 558 E N 0.401 120.593 120.200 -0.013 0.000 2.273 558 E HA -0.202 4.158 4.350 0.017 0.000 0.198 558 E C 1.866 178.465 176.600 -0.001 0.000 1.002 558 E CA 1.431 57.830 56.400 -0.001 0.000 0.828 558 E CB -0.293 29.414 29.700 0.012 0.000 0.747 558 E HN 0.386 nan 8.360 nan 0.000 0.491 559 N N 0.620 119.314 118.700 -0.011 0.000 2.109 559 N HA -0.052 4.698 4.740 0.017 0.000 0.188 559 N C 1.903 177.414 175.510 0.003 0.000 1.034 559 N CA 1.019 54.069 53.050 0.001 0.000 0.846 559 N CB -0.073 38.415 38.487 0.001 0.000 1.010 559 N HN 0.188 nan 8.380 nan 0.000 0.425 560 L N 1.489 122.698 121.223 -0.024 0.000 2.021 560 L HA -0.238 4.112 4.340 0.017 0.000 0.215 560 L C 1.669 178.546 176.870 0.012 0.000 1.074 560 L CA 1.335 56.171 54.840 -0.006 0.000 0.760 560 L CB -0.586 41.442 42.059 -0.051 0.000 0.889 560 L HN 0.102 nan 8.230 nan 0.000 0.433 561 D N -0.311 120.090 120.400 0.003 0.000 2.218 561 D HA -0.136 4.514 4.640 0.017 0.000 0.204 561 D C 2.295 178.604 176.300 0.016 0.000 0.976 561 D CA 1.096 55.102 54.000 0.010 0.000 0.853 561 D CB 0.010 40.813 40.800 0.006 0.000 0.939 561 D HN 0.336 nan 8.370 nan 0.000 0.481 562 L N -0.072 121.162 121.223 0.017 0.000 2.200 562 L HA 0.047 4.397 4.340 0.017 0.000 0.200 562 L C 0.003 176.888 176.870 0.025 0.000 1.072 562 L CA 0.810 55.663 54.840 0.020 0.000 0.787 562 L CB 0.389 42.460 42.059 0.020 0.000 0.957 562 L HN -0.123 nan 8.230 nan 0.000 0.459 563 D N -0.810 119.609 120.400 0.030 0.000 2.601 563 D HA 0.297 4.947 4.640 0.017 0.000 0.230 563 D C -0.699 175.631 176.300 0.049 0.000 1.106 563 D CA -0.479 53.544 54.000 0.037 0.000 0.873 563 D CB 1.388 42.210 40.800 0.038 0.000 1.515 563 D HN -0.039 nan 8.370 nan 0.000 0.468 564 R N 1.251 121.786 120.500 0.057 0.000 2.937 564 R HA 0.359 4.709 4.340 0.017 0.000 0.264 564 R C -2.241 174.120 176.300 0.101 0.000 1.334 564 R CA -1.348 54.799 56.100 0.079 0.000 1.516 564 R CB 0.264 30.606 30.300 0.070 0.000 1.187 564 R HN 0.088 nan 8.270 nan 0.000 0.609 565 P HA -0.005 nan 4.420 nan 0.000 0.271 565 P C 0.383 177.797 177.300 0.191 0.000 1.220 565 P CA -0.200 62.988 63.100 0.147 0.000 0.768 565 P CB 1.012 32.811 31.700 0.165 0.000 0.848 566 E N 3.320 123.570 120.200 0.083 0.000 2.072 566 E HA -0.148 4.212 4.350 0.017 0.000 0.191 566 E C 0.570 177.062 176.600 -0.180 0.000 0.985 566 E CA 0.777 57.170 56.400 -0.011 0.000 0.801 566 E CB 0.275 29.957 29.700 -0.030 0.000 0.750 566 E HN 0.419 nan 8.360 nan 0.000 0.452 567 R N -0.786 119.658 120.500 -0.094 0.000 2.836 567 R HA 0.741 5.091 4.340 0.017 0.000 0.269 567 R C -1.695 174.655 176.300 0.084 0.000 1.010 567 R CA -0.490 55.499 56.100 -0.185 0.000 0.930 567 R CB 1.709 31.909 30.300 -0.167 0.000 1.218 567 R HN -0.011 nan 8.270 nan 0.000 0.473 568 A N 1.339 124.255 122.820 0.160 0.000 2.513 568 A HA 0.552 4.882 4.320 0.017 0.000 0.296 568 A C -2.070 175.573 177.584 0.099 0.000 1.052 568 A CA -0.708 51.439 52.037 0.184 0.000 0.714 568 A CB 1.907 21.089 19.000 0.304 0.000 1.279 568 A HN 0.594 nan 8.150 nan 0.000 0.397 569 L N 4.136 125.356 121.223 -0.006 0.000 2.404 569 L HA 0.883 5.233 4.340 0.017 0.000 0.272 569 L C -0.902 175.959 176.870 -0.014 0.000 0.980 569 L CA -0.318 54.446 54.840 -0.126 0.000 0.836 569 L CB 1.399 43.196 42.059 -0.438 0.000 1.238 569 L HN 1.017 nan 8.230 nan 0.000 0.408 570 L N 1.682 122.996 121.223 0.152 0.000 2.765 570 L HA 0.786 5.135 4.340 0.017 0.000 0.263 570 L C -1.698 175.486 176.870 0.523 0.000 1.068 570 L CA -0.779 54.274 54.840 0.354 0.000 0.903 570 L CB 2.246 44.435 42.059 0.216 0.000 1.512 570 L HN 0.647 nan 8.230 nan 0.000 0.404 571 F N -0.527 119.538 119.950 0.192 0.000 2.692 571 F HA 0.917 5.454 4.527 0.017 0.000 0.320 571 F C -1.068 174.756 175.800 0.041 0.000 1.123 571 F CA -0.911 57.138 58.000 0.081 0.000 0.961 571 F CB 1.556 40.578 39.000 0.038 0.000 1.383 571 F HN 0.893 nan 8.300 nan 0.000 0.483 572 E N 0.922 120.949 120.200 -0.288 0.000 2.378 572 E HA 0.622 4.981 4.350 0.017 0.000 0.283 572 E C -2.473 174.003 176.600 -0.206 0.000 0.979 572 E CA -0.841 55.333 56.400 -0.377 0.000 0.795 572 E CB 2.573 32.155 29.700 -0.196 0.000 1.221 572 E HN 0.695 nan 8.360 nan 0.000 0.428 573 V N 2.721 122.507 119.914 -0.213 0.000 2.487 573 V HA 0.908 5.038 4.120 0.017 0.000 0.298 573 V C 0.293 176.277 176.094 -0.185 0.000 1.028 573 V CA 0.201 62.428 62.300 -0.121 0.000 0.860 573 V CB 1.245 33.033 31.823 -0.059 0.000 0.991 573 V HN 0.789 nan 8.190 nan 0.000 0.427 574 G N 3.545 112.250 108.800 -0.159 0.000 2.649 574 G HA2 0.614 4.584 3.960 0.017 0.000 0.290 574 G HA3 0.614 4.584 3.960 0.017 0.000 0.290 574 G C -1.597 173.167 174.900 -0.225 0.000 1.426 574 G CA -1.048 43.924 45.100 -0.214 0.000 0.794 574 G HN 0.520 nan 8.290 nan 0.000 0.483 575 R N -0.050 120.273 120.500 -0.294 0.000 2.202 575 R HA 0.533 4.883 4.340 0.017 0.000 0.334 575 R C 0.369 176.186 176.300 -0.805 0.000 1.036 575 R CA -0.327 55.486 56.100 -0.479 0.000 0.878 575 R CB 1.101 31.155 30.300 -0.411 0.000 1.067 575 R HN 0.605 nan 8.270 nan 0.000 0.457 576 V N 1.154 120.548 119.914 -0.868 0.000 2.834 576 V HA 0.669 4.799 4.120 0.017 0.000 0.313 576 V C -0.760 174.683 176.094 -1.085 0.000 1.060 576 V CA -0.872 60.919 62.300 -0.848 0.000 0.989 576 V CB 1.526 32.892 31.823 -0.760 0.000 1.041 576 V HN 0.501 nan 8.190 nan 0.000 0.459 577 F N 2.460 122.299 119.950 -0.184 0.000 2.445 577 F HA 0.770 5.307 4.527 0.017 0.000 0.348 577 F C 0.597 176.339 175.800 -0.097 0.000 1.125 577 F CA -0.676 57.253 58.000 -0.119 0.000 0.983 577 F CB 1.515 40.469 39.000 -0.076 0.000 1.198 577 F HN 0.555 nan 8.300 nan 0.000 0.436 578 R N 1.642 122.160 120.500 0.029 0.000 3.006 578 R HA 0.338 4.688 4.340 0.017 0.000 0.150 578 R C 1.305 177.639 176.300 0.057 0.000 1.285 578 R CA -0.720 55.397 56.100 0.028 0.000 0.813 578 R CB 0.347 30.637 30.300 -0.016 0.000 1.582 578 R HN 0.458 nan 8.270 nan 0.000 0.441 579 E N 1.661 121.889 120.200 0.046 0.000 2.085 579 E HA -0.142 4.218 4.350 0.017 0.000 0.194 579 E C 0.455 177.086 176.600 0.052 0.000 0.994 579 E CA 1.249 57.678 56.400 0.050 0.000 0.801 579 E CB 0.028 29.755 29.700 0.046 0.000 0.743 579 E HN 0.218 nan 8.360 nan 0.000 0.453 580 R N 0.507 121.032 120.500 0.042 0.000 2.888 580 R HA 0.299 4.649 4.340 0.017 0.000 0.266 580 R C -0.598 175.712 176.300 0.017 0.000 1.020 580 R CA -0.681 55.443 56.100 0.040 0.000 0.963 580 R CB 1.787 32.104 30.300 0.028 0.000 1.197 580 R HN -0.018 nan 8.270 nan 0.000 0.481 581 E N 1.466 121.680 120.200 0.024 0.000 2.324 581 E HA 0.005 4.364 4.350 0.017 0.000 0.271 581 E C -0.937 175.574 176.600 -0.147 0.000 1.028 581 E CA 0.395 56.751 56.400 -0.072 0.000 0.890 581 E CB 0.744 30.458 29.700 0.025 0.000 1.004 581 E HN 0.310 nan 8.360 nan 0.000 0.431 582 E N 2.174 122.203 120.200 -0.284 0.000 2.293 582 E HA 0.251 4.611 4.350 0.017 0.000 0.270 582 E C -1.359 175.128 176.600 -0.188 0.000 0.879 582 E CA -0.782 55.516 56.400 -0.171 0.000 0.756 582 E CB 2.095 31.732 29.700 -0.105 0.000 1.208 582 E HN 0.362 nan 8.360 nan 0.000 0.428 583 T N 2.605 117.131 114.554 -0.047 0.000 2.727 583 T HA 0.246 4.606 4.350 0.017 0.000 0.298 583 T C -0.518 174.248 174.700 0.110 0.000 0.942 583 T CA -0.185 61.897 62.100 -0.030 0.000 0.997 583 T CB 0.022 68.875 68.868 -0.025 0.000 0.917 583 T HN 0.283 nan 8.240 nan 0.000 0.487 584 H N 1.690 120.686 119.070 -0.123 0.000 2.595 584 H HA 0.675 5.241 4.556 0.017 0.000 0.346 584 H C -0.835 174.453 175.328 -0.067 0.000 1.181 584 H CA -1.143 54.854 56.048 -0.085 0.000 1.242 584 H CB 1.972 31.672 29.762 -0.102 0.000 1.652 584 H HN 0.289 nan 8.280 nan 0.000 0.548 585 L N 1.585 122.825 121.223 0.029 0.000 2.482 585 L HA 0.619 4.969 4.340 0.017 0.000 0.269 585 L C -1.517 175.331 176.870 -0.037 0.000 0.967 585 L CA -0.301 54.556 54.840 0.027 0.000 0.851 585 L CB 1.212 43.317 42.059 0.076 0.000 1.242 585 L HN 0.679 nan 8.230 nan 0.000 0.404 586 A N 2.930 125.658 122.820 -0.153 0.000 2.454 586 A HA 1.001 5.331 4.320 0.017 0.000 0.302 586 A C -0.454 176.745 177.584 -0.641 0.000 1.079 586 A CA -0.093 51.638 52.037 -0.511 0.000 0.731 586 A CB 1.737 20.581 19.000 -0.259 0.000 1.299 586 A HN 1.087 nan 8.150 nan 0.000 0.413 587 G N -0.107 107.831 108.800 -1.436 0.000 2.638 587 G HA2 0.608 4.577 3.960 0.017 0.000 0.302 587 G HA3 0.608 4.577 3.960 0.017 0.000 0.302 587 G C -1.472 173.249 174.900 -0.297 0.000 1.365 587 G CA -0.443 44.299 45.100 -0.597 0.000 0.987 587 G HN 1.214 nan 8.290 nan 0.000 0.495 588 L N 2.230 123.478 121.223 0.040 0.000 2.385 588 L HA 0.888 5.237 4.340 0.017 0.000 0.273 588 L C -1.613 175.348 176.870 0.152 0.000 0.990 588 L CA -1.090 53.809 54.840 0.099 0.000 0.821 588 L CB 1.990 44.097 42.059 0.080 0.000 1.279 588 L HN 0.534 nan 8.230 nan 0.000 0.412 589 L N 5.144 126.480 121.223 0.189 0.000 2.354 589 L HA 0.805 5.155 4.340 0.017 0.000 0.269 589 L C -1.431 175.617 176.870 0.298 0.000 1.005 589 L CA -0.277 54.665 54.840 0.171 0.000 0.819 589 L CB 1.856 43.976 42.059 0.103 0.000 1.311 589 L HN 0.666 nan 8.230 nan 0.000 0.423 590 F N 3.712 123.699 119.950 0.061 0.000 2.719 590 F HA 0.844 5.382 4.527 0.019 0.000 0.309 590 F C -0.260 175.568 175.800 0.048 0.000 1.138 590 F CA 0.405 58.444 58.000 0.065 0.000 0.943 590 F CB 1.196 40.223 39.000 0.046 0.000 1.304 590 F HN 1.057 nan 8.300 nan 0.000 0.445 591 G N 3.256 111.386 108.800 -1.117 0.000 2.422 591 G HA2 0.018 3.988 3.960 0.017 0.000 0.607 591 G HA3 0.018 3.988 3.960 0.017 0.000 0.607 591 G C -0.417 174.251 174.900 -0.388 0.000 1.270 591 G CA -0.131 44.378 45.100 -0.984 0.000 0.992 591 G HN 0.759 nan 8.290 nan 0.000 0.499 592 E N 0.333 120.369 120.200 -0.273 0.000 2.150 592 E HA 0.342 4.702 4.350 0.017 0.000 0.193 592 E C 1.735 178.285 176.600 -0.084 0.000 0.985 592 E CA 2.292 58.612 56.400 -0.134 0.000 0.814 592 E CB -0.539 29.097 29.700 -0.106 0.000 0.752 592 E HN 2.187 nan 8.360 nan 0.000 0.466 593 G N -0.381 108.363 108.800 -0.094 0.000 2.466 593 G HA2 -0.117 3.852 3.960 0.017 0.000 0.316 593 G HA3 -0.117 3.852 3.960 0.017 0.000 0.316 593 G C -0.327 174.547 174.900 -0.043 0.000 1.270 593 G CA -0.389 44.683 45.100 -0.046 0.000 0.982 593 G HN 0.513 nan 8.290 nan 0.000 0.506 594 V N -1.485 118.418 119.914 -0.018 0.000 2.850 594 V HA 1.068 5.198 4.120 0.017 0.000 0.315 594 V C 0.930 176.992 176.094 -0.053 0.000 1.064 594 V CA 0.797 63.082 62.300 -0.026 0.000 0.979 594 V CB 1.056 32.886 31.823 0.011 0.000 1.039 594 V HN 2.978 nan 8.190 nan 0.000 0.452 595 G N 1.435 110.183 108.800 -0.087 0.000 2.350 595 G HA2 0.204 4.174 3.960 0.017 0.000 0.276 595 G HA3 0.204 4.174 3.960 0.017 0.000 0.276 595 G C -1.429 173.340 174.900 -0.219 0.000 1.313 595 G CA -0.828 44.192 45.100 -0.134 0.000 0.903 595 G HN 0.939 nan 8.290 nan 0.000 0.490 596 L N 2.371 123.384 121.223 -0.351 0.000 2.367 596 L HA 0.281 4.630 4.340 0.017 0.000 0.275 596 L C -0.961 175.569 176.870 -0.567 0.000 1.129 596 L CA -1.639 52.814 54.840 -0.645 0.000 0.839 596 L CB 1.664 43.058 42.059 -1.109 0.000 1.133 596 L HN 0.393 nan 8.230 nan 0.000 0.453 597 P HA -0.185 nan 4.420 nan 0.000 0.211 597 P C 1.423 178.641 177.300 -0.138 0.000 1.179 597 P CA 1.558 64.533 63.100 -0.208 0.000 0.910 597 P CB -0.158 31.518 31.700 -0.039 0.000 0.785 598 W N 0.957 122.260 121.300 0.006 0.000 2.378 598 W HA 0.181 4.848 4.660 0.012 0.000 0.313 598 W C 0.868 177.391 176.519 0.007 0.000 1.197 598 W CA 0.209 57.558 57.345 0.006 0.000 1.304 598 W CB -2.045 27.419 29.460 0.006 0.000 1.148 598 W HN -0.125 nan 8.180 nan 0.000 0.494 599 A N 3.991 126.653 122.820 -0.264 0.000 2.540 599 A HA 0.002 4.332 4.320 0.017 0.000 0.239 599 A C 1.717 179.207 177.584 -0.157 0.000 1.061 599 A CA 0.578 52.491 52.037 -0.208 0.000 0.758 599 A CB 0.378 18.965 19.000 -0.688 0.000 0.991 599 A HN 0.312 nan 8.150 nan 0.000 0.502 600 K N 3.107 123.486 120.400 -0.034 0.000 1.990 600 K HA -0.222 4.108 4.320 0.017 0.000 0.225 600 K C 0.218 176.785 176.600 -0.054 0.000 1.053 600 K CA 1.918 58.191 56.287 -0.022 0.000 0.982 600 K CB -1.222 31.282 32.500 0.006 0.000 0.734 600 K HN 0.795 nan 8.250 nan 0.000 0.448 601 E N 1.691 121.854 120.200 -0.061 0.000 2.467 601 E HA 0.027 4.387 4.350 0.017 0.000 0.264 601 E C -0.041 176.514 176.600 -0.074 0.000 1.020 601 E CA 0.214 56.581 56.400 -0.056 0.000 0.945 601 E CB 0.348 30.015 29.700 -0.054 0.000 0.942 601 E HN 0.148 nan 8.360 nan 0.000 0.449 602 R N 0.472 120.946 120.500 -0.045 0.000 2.888 602 R HA 0.553 4.903 4.340 0.017 0.000 0.264 602 R C -1.497 174.793 176.300 -0.017 0.000 1.045 602 R CA -1.024 55.050 56.100 -0.043 0.000 0.962 602 R CB 1.225 31.503 30.300 -0.037 0.000 1.210 602 R HN 0.451 nan 8.270 nan 0.000 0.479 603 L N -0.774 120.445 121.223 -0.007 0.000 2.491 603 L HA 0.850 5.199 4.340 0.017 0.000 0.267 603 L C -0.687 176.204 176.870 0.035 0.000 0.971 603 L CA -0.119 54.733 54.840 0.020 0.000 0.857 603 L CB 1.568 43.633 42.059 0.010 0.000 1.226 603 L HN 0.717 nan 8.230 nan 0.000 0.408 604 S N 2.168 117.903 115.700 0.059 0.000 3.497 604 S HA 1.005 5.485 4.470 0.017 0.000 0.319 604 S C 0.378 175.032 174.600 0.091 0.000 1.195 604 S CA 0.038 58.276 58.200 0.064 0.000 1.118 604 S CB 0.383 63.606 63.200 0.038 0.000 1.495 604 S HN 2.523 nan 8.310 nan 0.000 0.655 605 G N 0.551 109.411 108.800 0.099 0.000 2.750 605 G HA2 -0.224 3.746 3.960 0.017 0.000 0.228 605 G HA3 -0.224 3.746 3.960 0.017 0.000 0.228 605 G C 0.157 174.879 174.900 -0.296 0.000 1.367 605 G CA 0.671 45.813 45.100 0.071 0.000 0.871 605 G HN 1.821 nan 8.290 nan 0.000 0.560 606 Y N 0.057 119.861 120.300 -0.826 0.000 2.030 606 Y HA -0.151 4.408 4.550 0.015 0.000 0.272 606 Y C 2.679 178.366 175.900 -0.355 0.000 1.185 606 Y CA 3.173 60.816 58.100 -0.762 0.000 1.120 606 Y CB -0.525 37.603 38.460 -0.553 0.000 0.955 606 Y HN 0.444 nan 8.280 nan 0.000 0.495 607 F N -0.463 119.573 119.950 0.145 0.000 2.449 607 F HA -0.144 4.394 4.527 0.018 0.000 0.299 607 F C 1.979 177.768 175.800 -0.017 0.000 1.092 607 F CA 1.106 59.152 58.000 0.077 0.000 1.446 607 F CB -0.588 38.513 39.000 0.168 0.000 1.084 607 F HN 0.266 nan 8.300 nan 0.000 0.567 608 L N -0.668 120.615 121.223 0.101 0.000 2.102 608 L HA 0.000 4.350 4.340 0.017 0.000 0.202 608 L C 2.114 179.049 176.870 0.109 0.000 1.076 608 L CA 1.388 56.301 54.840 0.121 0.000 0.761 608 L CB -0.927 41.191 42.059 0.099 0.000 0.921 608 L HN 0.114 nan 8.230 nan 0.000 0.444 609 L N -0.120 121.072 121.223 -0.050 0.000 2.079 609 L HA -0.249 4.101 4.340 0.017 0.000 0.210 609 L C 2.663 179.502 176.870 -0.050 0.000 1.081 609 L CA 1.890 56.701 54.840 -0.048 0.000 0.752 609 L CB -0.436 41.571 42.059 -0.087 0.000 0.896 609 L HN 0.368 nan 8.230 nan 0.000 0.433 610 K N -0.782 119.500 120.400 -0.198 0.000 2.057 610 K HA -0.145 4.185 4.320 0.017 0.000 0.206 610 K C 1.991 178.635 176.600 0.072 0.000 1.050 610 K CA 1.241 57.463 56.287 -0.109 0.000 0.935 610 K CB -0.483 31.893 32.500 -0.207 0.000 0.715 610 K HN 0.487 nan 8.250 nan 0.000 0.439 611 G N 0.414 109.282 108.800 0.112 0.000 2.529 611 G HA2 -0.303 3.667 3.960 0.017 0.000 0.219 611 G HA3 -0.303 3.667 3.960 0.017 0.000 0.219 611 G C 1.276 176.218 174.900 0.070 0.000 1.177 611 G CA 1.300 46.461 45.100 0.101 0.000 0.773 611 G HN 0.331 nan 8.290 nan 0.000 0.573 612 Y N -0.141 120.154 120.300 -0.008 0.000 2.097 612 Y HA -0.093 4.466 4.550 0.015 0.000 0.282 612 Y C 2.876 178.748 175.900 -0.046 0.000 1.152 612 Y CA 0.903 59.012 58.100 0.014 0.000 1.136 612 Y CB -0.444 38.069 38.460 0.088 0.000 0.975 612 Y HN 0.042 nan 8.280 nan 0.000 0.498 613 L N 0.579 121.828 121.223 0.044 0.000 1.997 613 L HA -0.282 4.068 4.340 0.017 0.000 0.216 613 L C 2.188 178.872 176.870 -0.311 0.000 1.074 613 L CA 1.926 56.613 54.840 -0.255 0.000 0.763 613 L CB -1.395 40.417 42.059 -0.411 0.000 0.890 613 L HN 0.378 nan 8.230 nan 0.000 0.434 614 E N -0.874 119.216 120.200 -0.184 0.000 2.085 614 E HA -0.235 4.125 4.350 0.017 0.000 0.194 614 E C 2.158 178.756 176.600 -0.002 0.000 0.994 614 E CA 1.259 57.646 56.400 -0.023 0.000 0.801 614 E CB -0.221 29.593 29.700 0.190 0.000 0.743 614 E HN 0.538 nan 8.360 nan 0.000 0.453 615 A N 1.728 124.527 122.820 -0.035 0.000 1.877 615 A HA -0.180 4.150 4.320 0.017 0.000 0.216 615 A C 2.269 179.794 177.584 -0.098 0.000 1.186 615 A CA 1.358 53.357 52.037 -0.062 0.000 0.620 615 A CB -0.683 18.255 19.000 -0.103 0.000 0.822 615 A HN 0.259 nan 8.150 nan 0.000 0.443 616 L N -1.309 119.821 121.223 -0.155 0.000 2.013 616 L HA -0.154 4.196 4.340 0.017 0.000 0.212 616 L C 2.177 178.784 176.870 -0.439 0.000 1.073 616 L CA 2.275 56.919 54.840 -0.327 0.000 0.753 616 L CB -0.762 40.998 42.059 -0.498 0.000 0.890 616 L HN 0.316 nan 8.230 nan 0.000 0.432 617 F N 0.101 119.875 119.950 -0.292 0.000 2.234 617 F HA -0.037 4.500 4.527 0.016 0.000 0.299 617 F C 2.556 178.282 175.800 -0.124 0.000 1.087 617 F CA 1.122 58.993 58.000 -0.216 0.000 1.340 617 F CB -1.195 37.656 39.000 -0.248 0.000 1.031 617 F HN 0.223 nan 8.300 nan 0.000 0.500 618 A N 0.210 123.060 122.820 0.049 0.000 1.917 618 A HA -0.284 4.046 4.320 0.017 0.000 0.219 618 A C 2.205 179.772 177.584 -0.028 0.000 1.182 618 A CA 2.190 54.238 52.037 0.019 0.000 0.633 618 A CB -0.698 18.301 19.000 -0.001 0.000 0.819 618 A HN 0.279 nan 8.150 nan 0.000 0.448 619 R N -0.144 120.307 120.500 -0.081 0.000 2.115 619 R HA 0.108 4.457 4.340 0.017 0.000 0.226 619 R C 1.622 177.856 176.300 -0.110 0.000 1.100 619 R CA 1.243 57.284 56.100 -0.098 0.000 0.980 619 R CB -0.622 29.601 30.300 -0.128 0.000 0.875 619 R HN 0.515 nan 8.270 nan 0.000 0.445 620 L N -0.880 120.253 121.223 -0.150 0.000 2.492 620 L HA 0.267 4.617 4.340 0.017 0.000 0.223 620 L C 0.965 177.805 176.870 -0.050 0.000 1.132 620 L CA 0.505 55.261 54.840 -0.140 0.000 0.850 620 L CB -0.105 41.802 42.059 -0.253 0.000 0.966 620 L HN 0.528 nan 8.230 nan 0.000 0.454 621 G N 1.129 109.923 108.800 -0.010 0.000 2.182 621 G HA2 -0.259 3.710 3.960 0.017 0.000 0.248 621 G HA3 -0.259 3.710 3.960 0.017 0.000 0.248 621 G C -0.171 174.767 174.900 0.063 0.000 1.042 621 G CA -0.113 45.002 45.100 0.025 0.000 0.775 621 G HN 0.239 nan 8.290 nan 0.000 0.501 622 L N -0.196 121.102 121.223 0.126 0.000 2.362 622 L HA 0.778 5.128 4.340 0.017 0.000 0.275 622 L C 0.646 177.635 176.870 0.200 0.000 0.998 622 L CA -0.818 54.137 54.840 0.192 0.000 0.820 622 L CB 2.198 44.457 42.059 0.334 0.000 1.270 622 L HN 0.269 nan 8.230 nan 0.000 0.415 623 A N 3.446 126.332 122.820 0.110 0.000 2.376 623 A HA 0.493 4.823 4.320 0.017 0.000 0.298 623 A C -0.773 176.829 177.584 0.030 0.000 1.271 623 A CA -0.128 51.950 52.037 0.068 0.000 0.926 623 A CB -0.294 18.723 19.000 0.029 0.000 1.141 623 A HN 0.525 nan 8.150 nan 0.000 0.539 624 F N 3.998 123.796 119.950 -0.253 0.000 2.507 624 F HA 0.872 5.408 4.527 0.016 0.000 0.327 624 F C -0.014 175.615 175.800 -0.285 0.000 1.068 624 F CA -1.187 56.552 58.000 -0.436 0.000 0.965 624 F CB 1.511 39.873 39.000 -1.062 0.000 1.192 624 F HN 0.740 nan 8.300 nan 0.000 0.476 625 R N 3.313 123.207 120.500 -1.010 0.000 2.692 625 R HA 0.735 5.085 4.340 0.017 0.000 0.269 625 R C -2.101 173.715 176.300 -0.807 0.000 1.030 625 R CA -0.966 54.582 56.100 -0.920 0.000 0.882 625 R CB 1.480 31.532 30.300 -0.414 0.000 1.250 625 R HN 0.945 nan 8.270 nan 0.000 0.465 626 V N -1.748 117.834 119.914 -0.554 0.000 2.864 626 V HA 0.725 4.855 4.120 0.017 0.000 0.314 626 V C -0.884 175.140 176.094 -0.117 0.000 1.073 626 V CA -0.656 61.482 62.300 -0.271 0.000 0.956 626 V CB 2.016 33.748 31.823 -0.151 0.000 1.023 626 V HN 0.943 nan 8.190 nan 0.000 0.435 627 E N 2.418 122.603 120.200 -0.026 0.000 2.275 627 E HA 0.662 5.022 4.350 0.017 0.000 0.270 627 E C -0.557 176.075 176.600 0.052 0.000 0.882 627 E CA -0.931 55.474 56.400 0.007 0.000 0.758 627 E CB 2.261 31.962 29.700 0.002 0.000 1.195 627 E HN 1.218 nan 8.360 nan 0.000 0.419 628 A N 2.844 125.687 122.820 0.039 0.000 2.548 628 A HA 0.124 4.454 4.320 0.017 0.000 0.247 628 A C -0.052 177.548 177.584 0.028 0.000 1.067 628 A CA 0.660 52.722 52.037 0.041 0.000 0.757 628 A CB 0.284 19.289 19.000 0.007 0.000 0.996 628 A HN 0.539 nan 8.150 nan 0.000 0.504 629 Q N 1.283 121.110 119.800 0.044 0.000 2.379 629 Q HA 0.602 4.952 4.340 0.017 0.000 0.278 629 Q C -0.696 175.166 176.000 -0.231 0.000 1.068 629 Q CA -0.083 55.659 55.803 -0.101 0.000 0.816 629 Q CB 1.990 30.673 28.738 -0.092 0.000 1.387 629 Q HN 1.208 nan 8.270 nan 0.000 0.413 630 A N 3.086 125.678 122.820 -0.381 0.000 2.404 630 A HA 0.587 4.917 4.320 0.017 0.000 0.273 630 A C -1.285 175.898 177.584 -0.670 0.000 1.144 630 A CA 0.183 52.002 52.037 -0.363 0.000 0.806 630 A CB -0.261 18.580 19.000 -0.265 0.000 1.080 630 A HN 0.510 nan 8.150 nan 0.000 0.509 631 F N 3.888 123.721 119.950 -0.194 0.000 2.499 631 F HA 0.405 4.942 4.527 0.016 0.000 0.333 631 F C -1.737 173.716 175.800 -0.578 0.000 1.138 631 F CA -1.799 55.931 58.000 -0.450 0.000 0.945 631 F CB 2.184 40.944 39.000 -0.400 0.000 1.181 631 F HN 0.409 nan 8.300 nan 0.000 0.435 632 P HA -0.269 nan 4.420 nan 0.000 0.220 632 P C 1.204 178.392 177.300 -0.187 0.000 1.155 632 P CA 1.944 64.839 63.100 -0.343 0.000 0.880 632 P CB -0.117 31.383 31.700 -0.334 0.000 0.790 633 F N -4.085 115.923 119.950 0.097 0.000 2.776 633 F HA 0.331 4.867 4.527 0.016 0.000 0.300 633 F C 0.571 176.405 175.800 0.057 0.000 1.116 633 F CA -0.786 57.260 58.000 0.077 0.000 1.375 633 F CB -1.055 37.959 39.000 0.023 0.000 1.109 633 F HN -0.250 nan 8.300 nan 0.000 0.585 634 L N 1.672 123.051 121.223 0.260 0.000 2.322 634 L HA 0.306 4.655 4.340 0.017 0.000 0.281 634 L C -0.005 176.973 176.870 0.181 0.000 1.014 634 L CA -1.264 53.730 54.840 0.256 0.000 0.815 634 L CB 0.378 42.591 42.059 0.258 0.000 1.247 634 L HN 0.127 nan 8.230 nan 0.000 0.421 635 H N 5.371 124.476 119.070 0.058 0.000 3.094 635 H HA 0.121 4.687 4.556 0.016 0.000 0.320 635 H C -2.442 172.832 175.328 -0.090 0.000 1.000 635 H CA -1.625 54.345 56.048 -0.131 0.000 1.413 635 H CB 0.497 30.255 29.762 -0.006 0.000 1.405 635 H HN 0.331 nan 8.280 nan 0.000 0.586 636 P HA 0.166 nan 4.420 nan 0.000 0.274 636 P C 1.002 178.396 177.300 0.157 0.000 1.256 636 P CA 0.911 64.093 63.100 0.136 0.000 0.795 636 P CB 0.495 32.198 31.700 0.004 0.000 1.038 637 G N -0.531 108.282 108.800 0.021 0.000 3.078 637 G HA2 -0.305 3.665 3.960 0.017 0.000 0.227 637 G HA3 -0.305 3.665 3.960 0.017 0.000 0.227 637 G C 0.574 175.377 174.900 -0.162 0.000 1.306 637 G CA 0.508 45.583 45.100 -0.042 0.000 0.841 637 G HN 0.490 nan 8.290 nan 0.000 0.530 638 V N 0.907 120.662 119.914 -0.266 0.000 3.331 638 V HA 0.577 4.706 4.120 0.017 0.000 0.332 638 V C 0.975 177.017 176.094 -0.087 0.000 1.341 638 V CA 0.804 62.903 62.300 -0.335 0.000 1.218 638 V CB 0.550 32.096 31.823 -0.461 0.000 1.152 638 V HN 0.477 nan 8.190 nan 0.000 0.445 639 S N 0.503 116.212 115.700 0.015 0.000 2.549 639 S HA 0.864 5.344 4.470 0.017 0.000 0.297 639 S C 0.144 174.877 174.600 0.222 0.000 1.115 639 S CA 0.060 58.374 58.200 0.191 0.000 1.059 639 S CB 1.655 64.975 63.200 0.200 0.000 1.046 639 S HN 0.707 nan 8.310 nan 0.000 0.506 640 G N 2.273 111.309 108.800 0.393 0.000 2.733 640 G HA2 0.468 4.438 3.960 0.017 0.000 0.297 640 G HA3 0.468 4.438 3.960 0.017 0.000 0.297 640 G C -1.355 173.842 174.900 0.494 0.000 1.452 640 G CA -0.974 44.338 45.100 0.353 0.000 0.940 640 G HN 0.809 nan 8.290 nan 0.000 0.547 641 R N 0.352 121.115 120.500 0.440 0.000 2.500 641 R HA 0.732 5.082 4.340 0.017 0.000 0.275 641 R C -0.942 175.482 176.300 0.205 0.000 1.051 641 R CA -0.575 55.795 56.100 0.450 0.000 1.088 641 R CB 1.532 32.061 30.300 0.382 0.000 1.063 641 R HN 0.230 nan 8.270 nan 0.000 0.511 642 V N 3.330 123.340 119.914 0.160 0.000 2.483 642 V HA 0.326 4.456 4.120 0.017 0.000 0.295 642 V C -0.270 175.827 176.094 0.005 0.000 1.035 642 V CA -1.010 61.316 62.300 0.044 0.000 0.896 642 V CB 1.573 33.440 31.823 0.073 0.000 0.986 642 V HN 0.572 nan 8.190 nan 0.000 0.447 643 L N 5.151 126.313 121.223 -0.101 0.000 2.384 643 L HA 0.423 4.773 4.340 0.017 0.000 0.261 643 L C 0.202 177.006 176.870 -0.111 0.000 1.024 643 L CA -0.008 54.778 54.840 -0.089 0.000 0.899 643 L CB 0.909 42.901 42.059 -0.112 0.000 1.243 643 L HN 0.532 nan 8.230 nan 0.000 0.449 644 V N 3.151 123.033 119.914 -0.052 0.000 3.843 644 V HA 0.001 4.131 4.120 0.017 0.000 0.289 644 V C 1.102 177.179 176.094 -0.028 0.000 1.065 644 V CA -0.222 62.039 62.300 -0.064 0.000 1.079 644 V CB 0.817 32.671 31.823 0.052 0.000 1.192 644 V HN 0.962 nan 8.190 nan 0.000 0.464 645 E N 1.413 121.624 120.200 0.018 0.000 2.734 645 E HA 0.162 4.522 4.350 0.017 0.000 0.235 645 E C 0.853 177.461 176.600 0.013 0.000 1.107 645 E CA 0.733 57.145 56.400 0.021 0.000 0.951 645 E CB -0.856 28.876 29.700 0.053 0.000 0.955 645 E HN 1.346 nan 8.360 nan 0.000 0.515 646 G N 3.165 111.962 108.800 -0.005 0.000 2.196 646 G HA2 -0.291 3.679 3.960 0.017 0.000 0.268 646 G HA3 -0.291 3.679 3.960 0.017 0.000 0.268 646 G C 0.003 174.906 174.900 0.005 0.000 0.975 646 G CA 0.599 45.698 45.100 -0.001 0.000 0.648 646 G HN 0.592 nan 8.290 nan 0.000 0.538 647 E N -0.327 119.876 120.200 0.006 0.000 2.369 647 E HA 0.485 4.845 4.350 0.017 0.000 0.270 647 E C -0.407 176.207 176.600 0.023 0.000 0.909 647 E CA -0.731 55.680 56.400 0.019 0.000 0.775 647 E CB 1.773 31.491 29.700 0.030 0.000 1.270 647 E HN 0.405 nan 8.360 nan 0.000 0.445 648 E N 1.019 121.244 120.200 0.042 0.000 2.146 648 E HA 0.447 4.807 4.350 0.017 0.000 0.282 648 E C -1.341 175.306 176.600 0.079 0.000 0.989 648 E CA -0.634 55.805 56.400 0.066 0.000 0.799 648 E CB 1.246 30.996 29.700 0.084 0.000 1.088 648 E HN 0.189 nan 8.360 nan 0.000 0.397 649 V N 3.997 123.960 119.914 0.080 0.000 2.817 649 V HA 0.748 4.877 4.120 0.017 0.000 0.303 649 V C 0.115 176.246 176.094 0.061 0.000 1.151 649 V CA 0.480 62.819 62.300 0.066 0.000 0.929 649 V CB 0.775 32.622 31.823 0.039 0.000 1.030 649 V HN 1.176 nan 8.190 nan 0.000 0.427 650 G N 4.913 113.749 108.800 0.060 0.000 2.749 650 G HA2 0.044 4.014 3.960 0.017 0.000 0.242 650 G HA3 0.044 4.014 3.960 0.017 0.000 0.242 650 G C -0.826 174.128 174.900 0.091 0.000 1.364 650 G CA 0.851 45.956 45.100 0.007 0.000 0.888 650 G HN 2.439 nan 8.290 nan 0.000 0.566 651 F N -2.813 117.125 119.950 -0.021 0.000 2.754 651 F HA 0.921 5.458 4.527 0.016 0.000 0.320 651 F C -0.786 175.040 175.800 0.043 0.000 1.156 651 F CA -1.111 56.834 58.000 -0.091 0.000 0.950 651 F CB 1.666 40.268 39.000 -0.663 0.000 1.388 651 F HN 1.299 nan 8.300 nan 0.000 0.485 652 L N 0.603 122.028 121.223 0.336 0.000 2.545 652 L HA 0.978 5.328 4.340 0.017 0.000 0.258 652 L C -0.693 176.441 176.870 0.440 0.000 0.942 652 L CA 0.280 55.308 54.840 0.312 0.000 0.855 652 L CB 1.881 44.042 42.059 0.170 0.000 1.374 652 L HN 1.588 nan 8.230 nan 0.000 0.411 653 G N 1.736 110.795 108.800 0.431 0.000 2.317 653 G HA2 0.657 4.627 3.960 0.017 0.000 0.293 653 G HA3 0.657 4.627 3.960 0.017 0.000 0.293 653 G C -1.809 173.365 174.900 0.456 0.000 1.287 653 G CA -0.222 45.158 45.100 0.466 0.000 0.850 653 G HN 1.166 nan 8.290 nan 0.000 0.515 654 A N -0.631 122.427 122.820 0.396 0.000 2.304 654 A HA 0.703 5.033 4.320 0.017 0.000 0.301 654 A C -0.009 177.690 177.584 0.191 0.000 1.132 654 A CA -0.429 51.795 52.037 0.312 0.000 0.819 654 A CB 1.177 20.290 19.000 0.189 0.000 1.094 654 A HN 1.873 nan 8.150 nan 0.000 0.492 655 L N 2.626 123.919 121.223 0.116 0.000 2.462 655 L HA 0.114 4.464 4.340 0.017 0.000 0.272 655 L C 0.751 177.760 176.870 0.232 0.000 1.166 655 L CA 0.357 55.283 54.840 0.144 0.000 0.880 655 L CB -0.406 41.711 42.059 0.096 0.000 1.142 655 L HN 0.782 nan 8.230 nan 0.000 0.473 656 H N 7.483 126.639 119.070 0.143 0.000 3.157 656 H HA -0.000 4.566 4.556 0.016 0.000 0.299 656 H C -1.504 173.860 175.328 0.059 0.000 0.961 656 H CA -0.844 55.281 56.048 0.129 0.000 1.428 656 H CB 0.947 30.761 29.762 0.087 0.000 1.459 656 H HN 0.608 nan 8.280 nan 0.000 0.566 657 P HA -0.244 nan 4.420 nan 0.000 0.216 657 P C 1.168 178.478 177.300 0.017 0.000 1.150 657 P CA 1.433 64.632 63.100 0.165 0.000 0.843 657 P CB 0.213 31.994 31.700 0.135 0.000 0.787 658 E N -0.424 119.714 120.200 -0.104 0.000 2.070 658 E HA -0.190 4.170 4.350 0.017 0.000 0.197 658 E C 1.940 178.368 176.600 -0.286 0.000 1.004 658 E CA 1.294 57.521 56.400 -0.289 0.000 0.805 658 E CB -0.525 28.827 29.700 -0.581 0.000 0.744 658 E HN 0.190 nan 8.360 nan 0.000 0.451 659 I N 0.420 120.777 120.570 -0.355 0.000 2.333 659 I HA -0.156 4.024 4.170 0.017 0.000 0.246 659 I C 2.401 178.423 176.117 -0.158 0.000 1.106 659 I CA 0.858 61.998 61.300 -0.267 0.000 1.411 659 I CB -0.351 37.499 38.000 -0.250 0.000 1.082 659 I HN 0.115 nan 8.210 nan 0.000 0.420 660 A N 0.813 123.587 122.820 -0.077 0.000 1.915 660 A HA -0.343 3.987 4.320 0.017 0.000 0.220 660 A C 2.383 179.943 177.584 -0.040 0.000 1.198 660 A CA 2.592 54.615 52.037 -0.023 0.000 0.647 660 A CB -0.877 18.140 19.000 0.028 0.000 0.825 660 A HN 0.635 nan 8.150 nan 0.000 0.456 661 Q N -0.374 119.395 119.800 -0.051 0.000 2.212 661 Q HA -0.133 4.217 4.340 0.017 0.000 0.199 661 Q C 1.845 177.804 176.000 -0.068 0.000 0.950 661 Q CA 1.480 57.256 55.803 -0.045 0.000 0.863 661 Q CB -0.337 28.383 28.738 -0.031 0.000 0.944 661 Q HN 0.761 nan 8.270 nan 0.000 0.465 662 E N 0.096 120.232 120.200 -0.107 0.000 2.333 662 E HA -0.108 4.252 4.350 0.017 0.000 0.200 662 E C -0.260 176.279 176.600 -0.101 0.000 1.010 662 E CA 0.526 56.857 56.400 -0.115 0.000 0.841 662 E CB 0.221 29.820 29.700 -0.168 0.000 0.757 662 E HN 0.192 nan 8.360 nan 0.000 0.508 663 L N 1.658 122.824 121.223 -0.095 0.000 2.346 663 L HA 0.158 4.508 4.340 0.017 0.000 0.276 663 L C 0.468 177.313 176.870 -0.041 0.000 1.006 663 L CA -0.388 54.412 54.840 -0.067 0.000 0.817 663 L CB 1.520 43.537 42.059 -0.071 0.000 1.272 663 L HN 0.256 nan 8.230 nan 0.000 0.421 664 E N 1.584 121.767 120.200 -0.027 0.000 2.452 664 E HA -0.106 4.254 4.350 0.017 0.000 0.209 664 E C -0.365 176.228 176.600 -0.012 0.000 1.228 664 E CA 0.310 56.701 56.400 -0.015 0.000 0.968 664 E CB -0.191 29.503 29.700 -0.009 0.000 0.947 664 E HN 0.182 nan 8.360 nan 0.000 0.564 665 L N 1.751 122.962 121.223 -0.020 0.000 2.322 665 L HA 0.385 4.735 4.340 0.017 0.000 0.279 665 L C -1.787 175.091 176.870 0.013 0.000 1.036 665 L CA -2.559 52.269 54.840 -0.020 0.000 0.807 665 L CB 1.287 43.319 42.059 -0.045 0.000 1.226 665 L HN 0.024 nan 8.230 nan 0.000 0.433 666 P HA 0.368 nan 4.420 nan 0.000 0.318 666 P C -2.756 174.604 177.300 0.099 0.000 1.309 666 P CA -1.302 61.858 63.100 0.099 0.000 0.736 666 P CB -0.614 31.193 31.700 0.178 0.000 1.440 667 P HA 0.225 nan 4.420 nan 0.000 0.275 667 P C -0.838 176.503 177.300 0.068 0.000 1.227 667 P CA 0.121 63.255 63.100 0.056 0.000 0.781 667 P CB 0.386 32.100 31.700 0.023 0.000 0.906 668 V N 3.123 123.010 119.914 -0.044 0.000 2.876 668 V HA 0.392 4.522 4.120 0.017 0.000 0.312 668 V C -0.467 175.540 176.094 -0.145 0.000 1.085 668 V CA -0.643 61.654 62.300 -0.004 0.000 0.945 668 V CB 2.140 33.998 31.823 0.059 0.000 1.017 668 V HN 0.583 nan 8.190 nan 0.000 0.428 669 H N 3.629 122.801 119.070 0.171 0.000 2.547 669 H HA 0.733 5.298 4.556 0.016 0.000 0.342 669 H C -1.207 174.209 175.328 0.146 0.000 1.048 669 H CA -0.469 55.675 56.048 0.161 0.000 1.204 669 H CB 2.142 31.994 29.762 0.151 0.000 1.493 669 H HN 0.267 nan 8.280 nan 0.000 0.511 670 L N 2.867 124.257 121.223 0.278 0.000 2.183 670 L HA 0.576 4.926 4.340 0.017 0.000 0.253 670 L C -0.547 176.454 176.870 0.218 0.000 1.048 670 L CA -1.140 53.800 54.840 0.167 0.000 0.890 670 L CB 0.950 43.045 42.059 0.061 0.000 1.476 670 L HN 0.620 nan 8.230 nan 0.000 0.455 671 F N -1.133 118.744 119.950 -0.122 0.000 2.686 671 F HA 0.636 5.173 4.527 0.016 0.000 0.315 671 F C -1.208 174.219 175.800 -0.622 0.000 1.088 671 F CA -0.903 56.809 58.000 -0.480 0.000 1.034 671 F CB 1.099 39.972 39.000 -0.212 0.000 1.280 671 F HN 0.508 nan 8.300 nan 0.000 0.463 672 E N 4.772 124.369 120.200 -1.006 0.000 2.287 672 E HA 0.645 5.005 4.350 0.017 0.000 0.274 672 E C -2.090 174.278 176.600 -0.388 0.000 0.896 672 E CA -0.718 55.342 56.400 -0.567 0.000 0.788 672 E CB 1.559 31.083 29.700 -0.295 0.000 1.244 672 E HN 0.711 nan 8.360 nan 0.000 0.408 673 L N 2.383 123.496 121.223 -0.185 0.000 2.279 673 L HA 0.627 4.977 4.340 0.017 0.000 0.262 673 L C -0.028 176.626 176.870 -0.358 0.000 1.019 673 L CA -0.966 53.764 54.840 -0.183 0.000 0.823 673 L CB 1.399 43.456 42.059 -0.003 0.000 1.358 673 L HN 0.628 nan 8.230 nan 0.000 0.432 674 R N 0.815 121.152 120.500 -0.271 0.000 2.393 674 R HA 0.744 5.094 4.340 0.017 0.000 0.310 674 R C -1.394 174.877 176.300 -0.049 0.000 0.968 674 R CA -0.525 55.444 56.100 -0.219 0.000 0.867 674 R CB 1.306 31.526 30.300 -0.134 0.000 1.124 674 R HN 0.544 nan 8.270 nan 0.000 0.450 675 L N 4.597 125.816 121.223 -0.007 0.000 2.332 675 L HA 0.626 4.976 4.340 0.017 0.000 0.269 675 L C -1.906 174.974 176.870 0.017 0.000 1.016 675 L CA -2.283 52.560 54.840 0.005 0.000 0.809 675 L CB 1.565 43.623 42.059 -0.001 0.000 1.280 675 L HN 0.580 nan 8.230 nan 0.000 0.447 676 P HA 0.223 nan 4.420 nan 0.000 0.277 676 P C -0.848 176.461 177.300 0.015 0.000 1.240 676 P CA -0.416 62.688 63.100 0.007 0.000 0.798 676 P CB 0.833 32.537 31.700 0.007 0.000 0.979 677 L N 3.397 124.627 121.223 0.011 0.000 2.439 677 L HA 0.242 4.592 4.340 0.017 0.000 0.269 677 L C -1.359 175.533 176.870 0.036 0.000 1.179 677 L CA -1.640 53.222 54.840 0.037 0.000 0.828 677 L CB -0.175 41.905 42.059 0.034 0.000 1.106 677 L HN 0.337 nan 8.230 nan 0.000 0.467 678 P HA 0.172 nan 4.420 nan 0.000 0.274 678 P C -1.269 176.056 177.300 0.042 0.000 1.246 678 P CA -0.349 62.776 63.100 0.042 0.000 0.795 678 P CB 1.213 32.941 31.700 0.046 0.000 1.006 679 D N -0.043 120.377 120.400 0.032 0.000 2.738 679 D HA 0.197 4.847 4.640 0.017 0.000 0.237 679 D C -1.006 175.311 176.300 0.030 0.000 1.123 679 D CA -0.533 53.485 54.000 0.029 0.000 0.856 679 D CB 2.074 42.883 40.800 0.015 0.000 1.552 679 D HN 0.290 nan 8.370 nan 0.000 0.480 680 K N 3.640 124.059 120.400 0.032 0.000 2.281 680 K HA 0.474 4.804 4.320 0.017 0.000 0.272 680 K C -2.499 174.118 176.600 0.028 0.000 1.048 680 K CA -1.450 54.856 56.287 0.031 0.000 0.898 680 K CB 1.067 33.589 32.500 0.035 0.000 1.128 680 K HN 0.061 nan 8.250 nan 0.000 0.460 681 P HA -0.007 nan 4.420 nan 0.000 0.271 681 P C -0.349 176.972 177.300 0.034 0.000 1.233 681 P CA -0.404 62.712 63.100 0.027 0.000 0.764 681 P CB 0.492 32.208 31.700 0.025 0.000 0.825 682 L N 2.303 123.549 121.223 0.039 0.000 2.525 682 L HA 0.365 4.715 4.340 0.017 0.000 0.278 682 L C -0.206 176.706 176.870 0.070 0.000 1.218 682 L CA 0.041 54.915 54.840 0.056 0.000 0.878 682 L CB 0.184 42.282 42.059 0.065 0.000 1.127 682 L HN 0.406 nan 8.230 nan 0.000 0.492 683 A N 5.721 128.584 122.820 0.073 0.000 2.328 683 A HA 0.403 4.733 4.320 0.017 0.000 0.318 683 A C -0.571 177.075 177.584 0.104 0.000 1.347 683 A CA -0.586 51.497 52.037 0.076 0.000 0.842 683 A CB 0.061 19.082 19.000 0.035 0.000 1.148 683 A HN 0.719 nan 8.150 nan 0.000 0.499 684 F N 2.494 122.446 119.950 0.003 0.000 2.545 684 F HA 0.361 4.898 4.527 0.016 0.000 0.348 684 F C 0.410 176.212 175.800 0.004 0.000 1.163 684 F CA 0.546 58.547 58.000 0.002 0.000 1.331 684 F CB 0.674 39.674 39.000 0.001 0.000 1.138 684 F HN 0.637 nan 8.300 nan 0.000 0.602 685 Q N 4.267 123.384 119.800 -1.138 0.000 2.263 685 Q HA 0.236 4.586 4.340 0.017 0.000 0.262 685 Q C -1.661 173.785 176.000 -0.923 0.000 0.984 685 Q CA -1.056 54.242 55.803 -0.842 0.000 0.813 685 Q CB 1.745 30.273 28.738 -0.349 0.000 1.299 685 Q HN 0.527 nan 8.270 nan 0.000 0.428 686 D N 4.681 124.669 120.400 -0.688 0.000 2.487 686 D HA 0.103 4.753 4.640 0.017 0.000 0.243 686 D C -1.902 174.293 176.300 -0.174 0.000 1.154 686 D CA -0.259 53.543 54.000 -0.329 0.000 0.876 686 D CB 0.664 41.380 40.800 -0.141 0.000 1.161 686 D HN 0.287 nan 8.370 nan 0.000 0.478 687 P HA 0.177 nan 4.420 nan 0.000 0.288 687 P C -0.750 176.545 177.300 -0.009 0.000 1.267 687 P CA -0.672 62.405 63.100 -0.039 0.000 0.815 687 P CB 0.973 32.667 31.700 -0.009 0.000 0.989 688 S N 1.595 117.304 115.700 0.016 0.000 2.610 688 S HA 0.284 4.764 4.470 0.017 0.000 0.273 688 S C 1.106 175.716 174.600 0.017 0.000 1.274 688 S CA -0.842 57.392 58.200 0.056 0.000 1.023 688 S CB 1.308 64.598 63.200 0.150 0.000 0.962 688 S HN 0.468 nan 8.310 nan 0.000 0.523 689 R N 0.054 120.500 120.500 -0.090 0.000 2.200 689 R HA 0.078 4.428 4.340 0.017 0.000 0.208 689 R C -0.433 175.727 176.300 -0.232 0.000 1.033 689 R CA 0.417 56.402 56.100 -0.192 0.000 1.000 689 R CB -0.721 29.415 30.300 -0.273 0.000 0.906 689 R HN 0.662 nan 8.270 nan 0.000 0.462 690 H N 3.161 122.234 119.070 0.005 0.000 3.091 690 H HA 0.141 4.707 4.556 0.016 0.000 0.289 690 H C -2.136 173.218 175.328 0.043 0.000 0.995 690 H CA -1.869 54.188 56.048 0.016 0.000 1.461 690 H CB -0.173 29.594 29.762 0.008 0.000 1.510 690 H HN 0.055 nan 8.280 nan 0.000 0.546 691 P HA -0.041 nan 4.420 nan 0.000 0.266 691 P C -0.203 177.203 177.300 0.176 0.000 1.186 691 P CA 0.144 63.309 63.100 0.109 0.000 0.767 691 P CB 0.559 32.290 31.700 0.051 0.000 0.820 692 A N 2.460 125.427 122.820 0.245 0.000 2.287 692 A HA 0.582 4.912 4.320 0.017 0.000 0.273 692 A C 0.134 177.974 177.584 0.427 0.000 1.091 692 A CA -0.135 52.099 52.037 0.328 0.000 0.817 692 A CB 0.099 19.289 19.000 0.317 0.000 1.069 692 A HN 0.548 nan 8.150 nan 0.000 0.492 693 A N 0.735 123.817 122.820 0.436 0.000 2.252 693 A HA 0.625 4.955 4.320 0.017 0.000 0.309 693 A C -0.807 177.117 177.584 0.567 0.000 1.285 693 A CA -0.311 51.981 52.037 0.424 0.000 0.900 693 A CB -0.305 18.860 19.000 0.275 0.000 1.157 693 A HN 0.525 nan 8.150 nan 0.000 0.536 694 F N 2.397 122.434 119.950 0.144 0.000 2.379 694 F HA 0.656 5.192 4.527 0.016 0.000 0.332 694 F C 0.912 176.804 175.800 0.153 0.000 1.096 694 F CA -0.261 57.814 58.000 0.125 0.000 1.105 694 F CB 1.325 40.351 39.000 0.043 0.000 1.189 694 F HN 0.471 nan 8.300 nan 0.000 0.515 695 R N 0.811 121.485 120.500 0.290 0.000 2.707 695 R HA 0.313 4.663 4.340 0.017 0.000 0.272 695 R C -1.757 174.727 176.300 0.306 0.000 1.011 695 R CA -1.095 55.171 56.100 0.277 0.000 0.893 695 R CB 1.947 32.418 30.300 0.285 0.000 1.233 695 R HN 0.718 nan 8.270 nan 0.000 0.464 696 D N 0.869 121.435 120.400 0.276 0.000 2.344 696 D HA 0.606 5.256 4.640 0.017 0.000 0.239 696 D C -0.396 176.044 176.300 0.234 0.000 1.064 696 D CA -0.630 53.549 54.000 0.299 0.000 0.829 696 D CB 1.700 42.647 40.800 0.246 0.000 1.129 696 D HN 0.315 nan 8.370 nan 0.000 0.506 697 L N 1.464 122.837 121.223 0.251 0.000 2.545 697 L HA 0.783 5.133 4.340 0.017 0.000 0.258 697 L C -1.851 175.037 176.870 0.030 0.000 0.942 697 L CA -0.616 54.308 54.840 0.140 0.000 0.855 697 L CB 1.883 44.046 42.059 0.172 0.000 1.374 697 L HN 0.772 nan 8.230 nan 0.000 0.411 698 A N 3.470 126.246 122.820 -0.073 0.000 2.454 698 A HA 0.904 5.234 4.320 0.017 0.000 0.302 698 A C -1.670 175.775 177.584 -0.231 0.000 1.079 698 A CA -0.542 51.378 52.037 -0.195 0.000 0.731 698 A CB 2.182 21.093 19.000 -0.148 0.000 1.299 698 A HN 0.435 nan 8.150 nan 0.000 0.413 699 V N 0.894 120.609 119.914 -0.333 0.000 2.709 699 V HA 0.583 4.713 4.120 0.017 0.000 0.308 699 V C -0.539 175.434 176.094 -0.202 0.000 1.062 699 V CA -0.685 61.449 62.300 -0.276 0.000 0.901 699 V CB 1.722 33.314 31.823 -0.386 0.000 1.003 699 V HN 0.878 nan 8.190 nan 0.000 0.425 700 V N 2.809 122.653 119.914 -0.116 0.000 2.313 700 V HA 0.777 4.907 4.120 0.017 0.000 0.278 700 V C -0.310 175.794 176.094 0.016 0.000 1.017 700 V CA -0.566 61.703 62.300 -0.050 0.000 0.823 700 V CB 1.127 32.930 31.823 -0.033 0.000 1.010 700 V HN 0.576 nan 8.190 nan 0.000 0.443 701 V N 5.757 125.664 119.914 -0.013 0.000 3.007 701 V HA 0.628 4.758 4.120 0.017 0.000 0.311 701 V C -2.370 173.607 176.094 -0.195 0.000 1.120 701 V CA -2.364 59.912 62.300 -0.040 0.000 0.980 701 V CB 3.482 35.252 31.823 -0.087 0.000 1.033 701 V HN 0.698 nan 8.190 nan 0.000 0.429 702 P HA -0.097 nan 4.420 nan 0.000 0.268 702 P C 0.400 177.532 177.300 -0.279 0.000 1.171 702 P CA 0.997 63.737 63.100 -0.599 0.000 0.761 702 P CB 0.411 31.858 31.700 -0.422 0.000 0.786 703 A N 5.742 128.429 122.820 -0.222 0.000 2.019 703 A HA -0.113 4.217 4.320 0.017 0.000 0.219 703 A C -0.344 177.189 177.584 -0.086 0.000 1.164 703 A CA 1.625 53.591 52.037 -0.119 0.000 0.644 703 A CB -2.062 16.886 19.000 -0.087 0.000 0.805 703 A HN 0.528 nan 8.150 nan 0.000 0.449 704 P HA 0.020 nan 4.420 nan 0.000 0.220 704 P C 0.422 177.694 177.300 -0.046 0.000 1.154 704 P CA 0.752 63.816 63.100 -0.061 0.000 0.830 704 P CB -0.622 31.040 31.700 -0.063 0.000 0.803 705 T N 4.254 118.768 114.554 -0.065 0.000 2.872 705 T HA 0.032 4.392 4.350 0.017 0.000 0.292 705 T C -2.094 172.606 174.700 -0.001 0.000 1.036 705 T CA -0.060 62.015 62.100 -0.041 0.000 1.136 705 T CB -0.554 68.277 68.868 -0.062 0.000 1.052 705 T HN 0.230 nan 8.240 nan 0.000 0.512 706 P HA 0.109 nan 4.420 nan 0.000 0.284 706 P C 0.398 177.789 177.300 0.151 0.000 1.253 706 P CA -0.683 62.466 63.100 0.083 0.000 0.800 706 P CB 0.656 32.397 31.700 0.067 0.000 0.961 707 Y N 4.140 124.468 120.300 0.047 0.000 2.139 707 Y HA -0.259 4.301 4.550 0.015 0.000 0.282 707 Y C 2.218 178.162 175.900 0.073 0.000 1.179 707 Y CA 2.285 60.431 58.100 0.076 0.000 1.161 707 Y CB -1.380 37.140 38.460 0.099 0.000 0.970 707 Y HN 0.544 nan 8.280 nan 0.000 0.511 708 G N 0.155 109.177 108.800 0.370 0.000 2.912 708 G HA2 -0.414 3.556 3.960 0.017 0.000 0.214 708 G HA3 -0.414 3.556 3.960 0.017 0.000 0.214 708 G C 1.520 176.538 174.900 0.198 0.000 1.341 708 G CA 1.357 46.589 45.100 0.219 0.000 0.794 708 G HN 0.534 nan 8.290 nan 0.000 0.691 709 E N -0.237 120.032 120.200 0.115 0.000 2.236 709 E HA -0.192 4.168 4.350 0.017 0.000 0.205 709 E C 2.700 179.356 176.600 0.092 0.000 1.028 709 E CA 1.256 57.705 56.400 0.080 0.000 0.827 709 E CB -0.237 29.491 29.700 0.045 0.000 0.735 709 E HN 0.317 nan 8.360 nan 0.000 0.470 710 V N 1.215 121.192 119.914 0.105 0.000 2.214 710 V HA -0.283 3.847 4.120 0.017 0.000 0.244 710 V C 2.384 178.583 176.094 0.175 0.000 1.045 710 V CA 2.025 64.365 62.300 0.068 0.000 0.993 710 V CB -0.690 31.111 31.823 -0.037 0.000 0.633 710 V HN 0.257 nan 8.190 nan 0.000 0.449 711 E N 0.417 120.807 120.200 0.317 0.000 2.065 711 E HA -0.331 4.029 4.350 0.017 0.000 0.201 711 E C 2.277 179.012 176.600 0.226 0.000 1.016 711 E CA 2.066 58.703 56.400 0.396 0.000 0.818 711 E CB -0.450 29.591 29.700 0.568 0.000 0.749 711 E HN 0.499 nan 8.360 nan 0.000 0.453 712 A N 1.632 124.554 122.820 0.171 0.000 1.870 712 A HA -0.250 4.080 4.320 0.017 0.000 0.219 712 A C 2.513 180.149 177.584 0.087 0.000 1.224 712 A CA 2.002 54.099 52.037 0.100 0.000 0.650 712 A CB -1.162 17.883 19.000 0.076 0.000 0.836 712 A HN 0.386 nan 8.150 nan 0.000 0.454 713 L N -0.400 120.874 121.223 0.085 0.000 1.955 713 L HA -0.219 4.131 4.340 0.017 0.000 0.213 713 L C 2.611 179.531 176.870 0.083 0.000 1.072 713 L CA 2.083 56.963 54.840 0.066 0.000 0.755 713 L CB -0.498 41.590 42.059 0.048 0.000 0.888 713 L HN 0.349 nan 8.230 nan 0.000 0.432 714 V N -0.140 119.844 119.914 0.117 0.000 2.250 714 V HA -0.419 3.711 4.120 0.017 0.000 0.253 714 V C 2.572 178.745 176.094 0.132 0.000 1.065 714 V CA 2.561 64.952 62.300 0.153 0.000 1.039 714 V CB -1.072 30.925 31.823 0.290 0.000 0.647 714 V HN 0.548 nan 8.190 nan 0.000 0.446 715 R N 0.372 120.943 120.500 0.118 0.000 2.080 715 R HA -0.208 4.142 4.340 0.017 0.000 0.236 715 R C 2.403 178.735 176.300 0.053 0.000 1.137 715 R CA 2.093 58.233 56.100 0.066 0.000 0.943 715 R CB -0.498 29.831 30.300 0.049 0.000 0.846 715 R HN 0.587 nan 8.270 nan 0.000 0.431 716 E N -0.697 119.533 120.200 0.052 0.000 2.409 716 E HA -0.129 4.231 4.350 0.017 0.000 0.198 716 E C 0.854 177.477 176.600 0.039 0.000 1.024 716 E CA 0.995 57.419 56.400 0.039 0.000 0.861 716 E CB 0.206 29.926 29.700 0.034 0.000 0.788 716 E HN 0.560 nan 8.360 nan 0.000 0.521 717 A N -0.240 122.611 122.820 0.052 0.000 2.259 717 A HA 0.394 4.724 4.320 0.017 0.000 0.213 717 A C 2.116 179.742 177.584 0.070 0.000 1.209 717 A CA 0.665 52.731 52.037 0.048 0.000 0.910 717 A CB 0.128 19.156 19.000 0.046 0.000 0.946 717 A HN 0.236 nan 8.150 nan 0.000 0.497 718 A N -0.169 122.712 122.820 0.102 0.000 1.971 718 A HA 0.308 4.638 4.320 0.017 0.000 0.222 718 A C 1.732 179.431 177.584 0.193 0.000 1.182 718 A CA 2.198 54.342 52.037 0.179 0.000 0.649 718 A CB -0.935 18.145 19.000 0.134 0.000 0.818 718 A HN 2.214 nan 8.150 nan 0.000 0.458 719 G N -3.241 105.618 108.800 0.098 0.000 2.462 719 G HA2 0.132 4.101 3.960 0.017 0.000 0.685 719 G HA3 0.132 4.101 3.960 0.017 0.000 0.685 719 G C -1.937 172.991 174.900 0.047 0.000 1.295 719 G CA -0.203 44.916 45.100 0.033 0.000 0.941 719 G HN 0.190 nan 8.290 nan 0.000 0.554 720 P HA 0.172 nan 4.420 nan 0.000 0.241 720 P C 0.492 178.021 177.300 0.380 0.000 1.191 720 P CA 0.883 64.058 63.100 0.124 0.000 0.771 720 P CB 0.037 31.807 31.700 0.117 0.000 0.929 721 Y N -0.776 119.579 120.300 0.092 0.000 2.571 721 Y HA 0.304 4.864 4.550 0.016 0.000 0.275 721 Y C 0.798 176.789 175.900 0.151 0.000 1.179 721 Y CA -2.008 56.171 58.100 0.132 0.000 1.242 721 Y CB -0.926 37.623 38.460 0.149 0.000 1.126 721 Y HN -0.096 nan 8.280 nan 0.000 0.524 722 L N 1.581 122.848 121.223 0.074 0.000 2.433 722 L HA 0.140 4.490 4.340 0.017 0.000 0.284 722 L C 1.318 177.993 176.870 -0.325 0.000 1.120 722 L CA 0.469 54.995 54.840 -0.524 0.000 0.879 722 L CB 0.279 42.100 42.059 -0.397 0.000 1.232 722 L HN 0.247 nan 8.230 nan 0.000 0.454 723 E N 2.167 122.160 120.200 -0.346 0.000 2.051 723 E HA -0.009 4.351 4.350 0.017 0.000 0.189 723 E C -0.026 176.443 176.600 -0.219 0.000 0.979 723 E CA 0.604 56.889 56.400 -0.191 0.000 0.803 723 E CB 0.362 29.992 29.700 -0.115 0.000 0.761 723 E HN 0.716 nan 8.360 nan 0.000 0.451 724 S N -0.526 114.992 115.700 -0.304 0.000 2.634 724 S HA 0.626 5.106 4.470 0.017 0.000 0.296 724 S C -1.141 173.301 174.600 -0.263 0.000 1.104 724 S CA -0.750 57.300 58.200 -0.250 0.000 0.920 724 S CB 2.043 65.097 63.200 -0.243 0.000 1.111 724 S HN 0.284 nan 8.310 nan 0.000 0.493 725 L N 1.873 122.976 121.223 -0.201 0.000 2.661 725 L HA 0.717 5.067 4.340 0.017 0.000 0.263 725 L C -1.139 175.603 176.870 -0.213 0.000 0.956 725 L CA -0.118 54.598 54.840 -0.205 0.000 0.918 725 L CB 0.875 42.819 42.059 -0.192 0.000 1.280 725 L HN 0.853 nan 8.230 nan 0.000 0.416 726 A N 3.995 126.697 122.820 -0.197 0.000 2.485 726 A HA 0.845 5.175 4.320 0.017 0.000 0.292 726 A C -1.887 175.629 177.584 -0.114 0.000 1.147 726 A CA -0.612 51.350 52.037 -0.125 0.000 0.750 726 A CB 2.090 21.077 19.000 -0.021 0.000 1.331 726 A HN 0.668 nan 8.150 nan 0.000 0.419 727 L N 1.347 122.596 121.223 0.043 0.000 2.345 727 L HA 0.624 4.974 4.340 0.017 0.000 0.274 727 L C -0.386 176.671 176.870 0.312 0.000 0.999 727 L CA -0.477 54.483 54.840 0.201 0.000 0.849 727 L CB 0.659 42.868 42.059 0.249 0.000 1.220 727 L HN 0.705 nan 8.230 nan 0.000 0.422 728 F N 1.155 121.126 119.950 0.036 0.000 2.754 728 F HA 0.531 5.067 4.527 0.016 0.000 0.297 728 F C 0.235 176.035 175.800 0.001 0.000 1.122 728 F CA -0.741 57.264 58.000 0.009 0.000 1.400 728 F CB -0.675 38.304 39.000 -0.035 0.000 1.117 728 F HN 0.522 nan 8.300 nan 0.000 0.587 729 D N -0.359 119.925 120.400 -0.193 0.000 2.798 729 D HA 0.499 5.148 4.640 0.017 0.000 0.265 729 D C -1.944 174.260 176.300 -0.159 0.000 1.223 729 D CA -0.567 53.324 54.000 -0.182 0.000 0.743 729 D CB 1.545 42.192 40.800 -0.256 0.000 1.276 729 D HN 0.161 nan 8.370 nan 0.000 0.421 730 L N -0.322 120.861 121.223 -0.067 0.000 2.921 730 L HA 0.823 5.173 4.340 0.017 0.000 0.261 730 L C -2.158 174.811 176.870 0.166 0.000 0.984 730 L CA -0.889 53.970 54.840 0.031 0.000 0.951 730 L CB 0.879 42.936 42.059 -0.003 0.000 1.495 730 L HN 0.568 nan 8.230 nan 0.000 0.414 731 Y N -0.409 119.844 120.300 -0.077 0.000 2.641 731 Y HA 0.631 5.190 4.550 0.014 0.000 0.333 731 Y C 0.337 176.210 175.900 -0.046 0.000 1.174 731 Y CA -1.022 57.047 58.100 -0.052 0.000 1.057 731 Y CB 0.390 38.822 38.460 -0.046 0.000 1.322 731 Y HN 0.674 nan 8.280 nan 0.000 0.457 732 Q N 2.042 121.707 119.800 -0.225 0.000 1.975 732 Q HA 0.280 4.629 4.340 0.017 0.000 0.205 732 Q C 0.620 176.224 176.000 -0.660 0.000 0.990 732 Q CA 2.571 58.189 55.803 -0.308 0.000 0.845 732 Q CB -0.782 27.854 28.738 -0.170 0.000 0.913 732 Q HN 1.570 nan 8.270 nan 0.000 0.420 733 G N 0.091 108.351 108.800 -0.900 0.000 3.439 733 G HA2 -0.069 3.900 3.960 0.017 0.000 0.686 733 G HA3 -0.069 3.900 3.960 0.017 0.000 0.686 733 G C -2.197 172.482 174.900 -0.369 0.000 1.075 733 G CA -0.231 44.228 45.100 -1.070 0.000 0.926 733 G HN 0.121 nan 8.290 nan 0.000 0.485 734 P HA 0.002 nan 4.420 nan 0.000 0.213 734 P C -1.062 176.204 177.300 -0.057 0.000 1.170 734 P CA 1.394 64.456 63.100 -0.062 0.000 0.898 734 P CB -0.438 31.265 31.700 0.006 0.000 0.787 735 P HA -0.014 nan 4.420 nan 0.000 0.280 735 P C -0.091 177.182 177.300 -0.044 0.000 1.359 735 P CA 0.933 64.025 63.100 -0.012 0.000 0.744 735 P CB -1.026 30.695 31.700 0.036 0.000 1.236 736 L N -6.797 114.377 121.223 -0.081 0.000 2.671 736 L HA 0.709 5.059 4.340 0.017 0.000 0.259 736 L C -2.924 173.887 176.870 -0.098 0.000 1.021 736 L CA -2.923 51.860 54.840 -0.095 0.000 0.871 736 L CB 0.524 42.520 42.059 -0.104 0.000 1.472 736 L HN -0.488 nan 8.230 nan 0.000 0.410 737 P HA -0.079 nan 4.420 nan 0.000 0.258 737 P C 0.256 177.551 177.300 -0.009 0.000 1.136 737 P CA 0.634 63.665 63.100 -0.114 0.000 0.761 737 P CB 0.434 31.920 31.700 -0.356 0.000 0.724 738 E N 2.447 122.643 120.200 -0.006 0.000 2.208 738 E HA -0.186 4.174 4.350 0.017 0.000 0.202 738 E C 1.793 178.411 176.600 0.031 0.000 1.014 738 E CA 1.797 58.197 56.400 -0.000 0.000 0.819 738 E CB -0.281 29.417 29.700 -0.003 0.000 0.735 738 E HN 0.663 nan 8.360 nan 0.000 0.469 739 G N -1.110 107.765 108.800 0.124 0.000 3.605 739 G HA2 0.087 4.057 3.960 0.017 0.000 0.277 739 G HA3 0.087 4.057 3.960 0.017 0.000 0.277 739 G C -0.557 174.352 174.900 0.015 0.000 1.093 739 G CA -0.260 44.891 45.100 0.084 0.000 0.821 739 G HN 0.100 nan 8.290 nan 0.000 0.532 740 H N -0.391 118.629 119.070 -0.084 0.000 2.834 740 H HA 0.637 5.203 4.556 0.016 0.000 0.369 740 H C -0.164 175.090 175.328 -0.125 0.000 1.174 740 H CA -0.687 55.304 56.048 -0.094 0.000 1.165 740 H CB 1.696 31.404 29.762 -0.089 0.000 1.820 740 H HN 0.126 nan 8.280 nan 0.000 0.558 741 K N -0.166 120.218 120.400 -0.027 0.000 2.395 741 K HA 0.702 5.031 4.320 0.017 0.000 0.245 741 K C -0.808 175.736 176.600 -0.092 0.000 1.017 741 K CA -1.187 55.044 56.287 -0.094 0.000 0.852 741 K CB 2.170 34.614 32.500 -0.093 0.000 1.311 741 K HN 0.593 nan 8.250 nan 0.000 0.452 742 S N 0.586 116.233 115.700 -0.089 0.000 2.593 742 S HA 0.622 5.102 4.470 0.017 0.000 0.297 742 S C -0.481 174.059 174.600 -0.100 0.000 1.112 742 S CA -0.902 57.266 58.200 -0.053 0.000 1.043 742 S CB 0.581 63.844 63.200 0.106 0.000 1.054 742 S HN 0.524 nan 8.310 nan 0.000 0.516 743 L N 1.961 123.060 121.223 -0.206 0.000 2.457 743 L HA 0.529 4.879 4.340 0.017 0.000 0.266 743 L C -0.149 176.516 176.870 -0.342 0.000 0.979 743 L CA -0.870 53.785 54.840 -0.309 0.000 0.857 743 L CB 1.679 43.393 42.059 -0.576 0.000 1.213 743 L HN 0.983 nan 8.230 nan 0.000 0.418 744 A N 3.871 126.483 122.820 -0.347 0.000 2.410 744 A HA 0.546 4.876 4.320 0.017 0.000 0.292 744 A C -0.928 176.528 177.584 -0.214 0.000 1.232 744 A CA 0.210 51.776 52.037 -0.786 0.000 0.893 744 A CB -0.344 17.742 19.000 -1.523 0.000 1.131 744 A HN 0.411 nan 8.150 nan 0.000 0.530 745 F N 1.646 121.532 119.950 -0.107 0.000 2.427 745 F HA 0.304 4.840 4.527 0.015 0.000 0.348 745 F C 0.513 176.653 175.800 0.567 0.000 1.125 745 F CA -0.872 57.294 58.000 0.276 0.000 0.989 745 F CB 1.221 40.283 39.000 0.104 0.000 1.165 745 F HN 0.649 nan 8.300 nan 0.000 0.442 746 H N 3.425 122.797 119.070 0.503 0.000 2.502 746 H HA 0.600 5.166 4.556 0.017 0.000 0.327 746 H C -0.904 174.398 175.328 -0.043 0.000 1.099 746 H CA -0.536 55.507 56.048 -0.007 0.000 1.323 746 H CB 1.290 30.773 29.762 -0.464 0.000 1.450 746 H HN 0.413 nan 8.280 nan 0.000 0.502 747 L N 3.383 124.675 121.223 0.115 0.000 2.370 747 L HA 0.525 4.875 4.340 0.017 0.000 0.266 747 L C -0.465 176.320 176.870 -0.141 0.000 1.002 747 L CA -0.431 54.408 54.840 -0.001 0.000 0.818 747 L CB 2.036 44.216 42.059 0.202 0.000 1.325 747 L HN 0.548 nan 8.230 nan 0.000 0.418 748 R N 1.158 121.469 120.500 -0.314 0.000 2.725 748 R HA 0.791 5.141 4.340 0.017 0.000 0.277 748 R C -1.768 174.311 176.300 -0.368 0.000 0.987 748 R CA -0.467 55.454 56.100 -0.299 0.000 0.901 748 R CB 1.858 31.901 30.300 -0.429 0.000 1.207 748 R HN 0.359 nan 8.270 nan 0.000 0.463 749 F N 0.552 120.518 119.950 0.028 0.000 2.613 749 F HA 0.635 5.172 4.527 0.016 0.000 0.310 749 F C -0.127 175.737 175.800 0.106 0.000 1.085 749 F CA -0.707 57.344 58.000 0.085 0.000 0.945 749 F CB 2.378 41.452 39.000 0.122 0.000 1.298 749 F HN 0.215 nan 8.300 nan 0.000 0.455 750 R N 0.382 121.050 120.500 0.280 0.000 2.663 750 R HA 0.363 4.713 4.340 0.017 0.000 0.267 750 R C -2.187 174.156 176.300 0.072 0.000 1.038 750 R CA -0.868 55.340 56.100 0.179 0.000 0.886 750 R CB 2.231 32.600 30.300 0.115 0.000 1.249 750 R HN 0.945 nan 8.270 nan 0.000 0.463 751 H N 4.192 123.207 119.070 -0.091 0.000 2.609 751 H HA 0.314 4.880 4.556 0.016 0.000 0.344 751 H C -1.760 173.463 175.328 -0.174 0.000 1.040 751 H CA -2.557 53.305 56.048 -0.309 0.000 1.216 751 H CB 2.193 31.752 29.762 -0.339 0.000 1.529 751 H HN 0.356 nan 8.280 nan 0.000 0.519 752 P HA -0.233 nan 4.420 nan 0.000 0.208 752 P C 1.041 178.294 177.300 -0.077 0.000 1.189 752 P CA 1.352 64.457 63.100 0.007 0.000 0.931 752 P CB 0.441 32.139 31.700 -0.004 0.000 0.783 753 K N -0.115 120.130 120.400 -0.258 0.000 2.026 753 K HA -0.112 4.218 4.320 0.017 0.000 0.208 753 K C 1.466 177.694 176.600 -0.621 0.000 1.048 753 K CA 1.274 57.379 56.287 -0.303 0.000 0.929 753 K CB -0.194 32.139 32.500 -0.278 0.000 0.713 753 K HN 0.354 nan 8.250 nan 0.000 0.439 754 R N -0.849 119.103 120.500 -0.914 0.000 2.922 754 R HA 0.349 4.699 4.340 0.017 0.000 0.256 754 R C -0.510 175.365 176.300 -0.708 0.000 1.138 754 R CA -0.758 54.749 56.100 -0.987 0.000 0.995 754 R CB -0.066 29.936 30.300 -0.496 0.000 1.226 754 R HN -0.329 nan 8.270 nan 0.000 0.481 755 T N 1.058 115.394 114.554 -0.363 0.000 2.899 755 T HA 0.308 4.668 4.350 0.017 0.000 0.295 755 T C 0.001 174.729 174.700 0.046 0.000 1.033 755 T CA -0.472 61.609 62.100 -0.031 0.000 1.084 755 T CB 0.303 69.213 68.868 0.071 0.000 0.979 755 T HN 0.242 nan 8.240 nan 0.000 0.532 756 L N 3.316 124.615 121.223 0.126 0.000 2.361 756 L HA 0.333 4.683 4.340 0.017 0.000 0.278 756 L C 0.723 177.653 176.870 0.100 0.000 1.113 756 L CA -0.722 54.215 54.840 0.161 0.000 0.849 756 L CB 0.401 42.577 42.059 0.196 0.000 1.155 756 L HN 0.492 nan 8.230 nan 0.000 0.452 757 R N 2.882 123.436 120.500 0.089 0.000 2.401 757 R HA 0.008 4.358 4.340 0.017 0.000 0.299 757 R C 0.672 176.988 176.300 0.027 0.000 1.064 757 R CA -0.004 56.126 56.100 0.050 0.000 1.000 757 R CB 0.258 30.586 30.300 0.047 0.000 0.973 757 R HN 0.473 nan 8.270 nan 0.000 0.438 758 D N 3.036 123.445 120.400 0.015 0.000 2.239 758 D HA -0.180 4.470 4.640 0.017 0.000 0.202 758 D C 0.811 177.098 176.300 -0.022 0.000 0.993 758 D CA 1.244 55.240 54.000 -0.005 0.000 0.874 758 D CB 0.292 41.093 40.800 0.001 0.000 0.922 758 D HN 0.608 nan 8.370 nan 0.000 0.464 759 E N 0.661 120.854 120.200 -0.012 0.000 2.097 759 E HA -0.185 4.174 4.350 0.017 0.000 0.196 759 E C 1.954 178.529 176.600 -0.040 0.000 1.000 759 E CA 0.930 57.319 56.400 -0.019 0.000 0.804 759 E CB -0.198 29.498 29.700 -0.007 0.000 0.740 759 E HN 0.566 nan 8.360 nan 0.000 0.454 760 E N 0.083 120.258 120.200 -0.042 0.000 2.230 760 E HA -0.076 4.284 4.350 0.017 0.000 0.192 760 E C 2.222 178.730 176.600 -0.153 0.000 0.987 760 E CA 0.903 57.253 56.400 -0.083 0.000 0.841 760 E CB -0.004 29.668 29.700 -0.047 0.000 0.783 760 E HN 0.233 nan 8.360 nan 0.000 0.481 761 V N 0.278 120.101 119.914 -0.151 0.000 2.232 761 V HA -0.197 3.933 4.120 0.017 0.000 0.239 761 V C 1.580 177.550 176.094 -0.207 0.000 1.040 761 V CA 1.544 63.689 62.300 -0.258 0.000 0.996 761 V CB -0.752 30.952 31.823 -0.199 0.000 0.638 761 V HN -0.026 nan 8.190 nan 0.000 0.453 762 E N 0.725 120.856 120.200 -0.114 0.000 2.463 762 E HA -0.130 4.230 4.350 0.017 0.000 0.201 762 E C 2.016 178.574 176.600 -0.071 0.000 1.045 762 E CA 1.084 57.439 56.400 -0.074 0.000 0.872 762 E CB -0.249 29.428 29.700 -0.038 0.000 0.797 762 E HN 0.832 nan 8.360 nan 0.000 0.538 763 E N 0.683 120.829 120.200 -0.090 0.000 2.038 763 E HA -0.038 4.322 4.350 0.017 0.000 0.190 763 E C 2.006 178.554 176.600 -0.087 0.000 0.967 763 E CA 0.927 57.281 56.400 -0.076 0.000 0.816 763 E CB -0.137 29.517 29.700 -0.076 0.000 0.784 763 E HN 0.205 nan 8.360 nan 0.000 0.456 764 A N 1.659 124.400 122.820 -0.131 0.000 1.940 764 A HA -0.135 4.194 4.320 0.017 0.000 0.219 764 A C 2.471 180.012 177.584 -0.072 0.000 1.176 764 A CA 1.554 53.518 52.037 -0.121 0.000 0.631 764 A CB -1.023 17.866 19.000 -0.186 0.000 0.814 764 A HN 0.246 nan 8.150 nan 0.000 0.446 765 V N 0.891 120.747 119.914 -0.097 0.000 2.282 765 V HA -0.300 3.830 4.120 0.017 0.000 0.249 765 V C 2.937 179.032 176.094 0.001 0.000 1.057 765 V CA 3.225 65.510 62.300 -0.026 0.000 1.032 765 V CB -0.631 31.172 31.823 -0.033 0.000 0.645 765 V HN 0.858 nan 8.190 nan 0.000 0.447 766 S N 0.063 115.752 115.700 -0.018 0.000 2.368 766 S HA -0.233 4.247 4.470 0.017 0.000 0.225 766 S C 2.035 176.632 174.600 -0.006 0.000 1.030 766 S CA 1.081 59.275 58.200 -0.010 0.000 0.999 766 S CB -0.655 62.534 63.200 -0.018 0.000 0.844 766 S HN 0.578 nan 8.310 nan 0.000 0.459 767 R N 1.079 121.571 120.500 -0.014 0.000 2.204 767 R HA -0.040 4.310 4.340 0.017 0.000 0.253 767 R C 2.191 178.496 176.300 0.008 0.000 1.172 767 R CA 1.218 57.312 56.100 -0.010 0.000 0.994 767 R CB -1.749 28.538 30.300 -0.021 0.000 0.874 767 R HN 0.519 nan 8.270 nan 0.000 0.462 768 V N 0.311 120.238 119.914 0.023 0.000 2.326 768 V HA -0.019 4.111 4.120 0.017 0.000 0.238 768 V C 2.430 178.539 176.094 0.025 0.000 1.038 768 V CA 1.380 63.703 62.300 0.039 0.000 1.032 768 V CB -0.945 30.924 31.823 0.076 0.000 0.675 768 V HN 0.297 nan 8.190 nan 0.000 0.467 769 A N 0.497 123.329 122.820 0.020 0.000 1.997 769 A HA -0.338 3.992 4.320 0.017 0.000 0.221 769 A C 2.106 179.689 177.584 -0.000 0.000 1.172 769 A CA 2.521 54.562 52.037 0.006 0.000 0.645 769 A CB -0.612 18.390 19.000 0.004 0.000 0.813 769 A HN 0.795 nan 8.150 nan 0.000 0.454 770 E N 0.148 120.348 120.200 0.001 0.000 1.997 770 E HA -0.087 4.273 4.350 0.017 0.000 0.201 770 E C 1.871 178.470 176.600 -0.001 0.000 1.011 770 E CA 1.414 57.812 56.400 -0.002 0.000 0.847 770 E CB -0.539 29.159 29.700 -0.004 0.000 0.787 770 E HN 0.408 nan 8.360 nan 0.000 0.472 771 A N 0.390 123.212 122.820 0.002 0.000 2.248 771 A HA -0.018 4.312 4.320 0.017 0.000 0.210 771 A C 1.922 179.508 177.584 0.005 0.000 1.174 771 A CA 0.770 52.809 52.037 0.004 0.000 0.750 771 A CB -0.611 18.393 19.000 0.007 0.000 0.780 771 A HN 0.441 nan 8.150 nan 0.000 0.478 772 L N -0.311 120.914 121.223 0.004 0.000 1.937 772 L HA 0.005 4.355 4.340 0.017 0.000 0.213 772 L C 2.079 178.944 176.870 -0.008 0.000 1.077 772 L CA 2.204 57.043 54.840 -0.001 0.000 0.758 772 L CB -0.560 41.495 42.059 -0.007 0.000 0.888 772 L HN 0.372 nan 8.230 nan 0.000 0.433 773 R N -1.319 119.174 120.500 -0.011 0.000 2.393 773 R HA 0.279 4.629 4.340 0.017 0.000 0.244 773 R C 1.773 178.070 176.300 -0.006 0.000 0.920 773 R CA 0.545 56.639 56.100 -0.009 0.000 1.076 773 R CB 0.076 30.369 30.300 -0.012 0.000 1.119 773 R HN 0.501 nan 8.270 nan 0.000 0.524 774 A N 0.700 123.517 122.820 -0.005 0.000 2.070 774 A HA -0.088 4.242 4.320 0.017 0.000 0.220 774 A C 1.333 178.916 177.584 -0.002 0.000 1.159 774 A CA 0.781 52.816 52.037 -0.004 0.000 0.656 774 A CB -0.191 18.807 19.000 -0.003 0.000 0.800 774 A HN 0.166 nan 8.150 nan 0.000 0.453 775 R N 0.000 120.499 120.500 -0.002 0.000 2.786 775 R HA 0.000 4.350 4.340 0.017 0.000 0.208 775 R CA 0.000 56.100 56.100 -0.001 0.000 0.921 775 R CB 0.000 30.301 30.300 0.001 0.000 0.687 775 R HN 0.000 nan 8.270 nan 0.000 0.535